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 2hai_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGQRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE YGYGAKDVRN LSSRAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRXFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSXSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.568 174.600 -0.053 0.000 1.055 1 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 1 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 2 M N 3.199 122.762 119.600 -0.062 0.000 2.238 2 M HA 0.239 4.719 4.480 -0.000 0.000 0.350 2 M C 1.908 178.093 176.300 -0.191 0.000 1.321 2 M CA 0.046 55.294 55.300 -0.087 0.000 1.097 2 M CB 0.452 33.018 32.600 -0.056 0.000 1.713 2 M HN 1.050 nan 8.290 nan 0.000 0.455 3 S N 3.118 118.640 115.700 -0.297 0.000 2.383 3 S HA -0.103 4.367 4.470 -0.000 0.000 0.229 3 S C 0.163 174.323 174.600 -0.733 0.000 1.030 3 S CA 0.988 58.883 58.200 -0.507 0.000 1.002 3 S CB -0.197 62.621 63.200 -0.637 0.000 0.829 3 S HN 0.642 nan 8.310 nan 0.000 0.467 4 Y N 0.873 120.995 120.300 -0.296 0.000 2.562 4 Y HA 0.561 5.111 4.550 -0.000 0.000 0.345 4 Y C 0.021 175.604 175.900 -0.529 0.000 1.045 4 Y CA -0.895 56.899 58.100 -0.510 0.000 1.028 4 Y CB 2.034 40.015 38.460 -0.797 0.000 1.297 4 Y HN 0.134 nan 8.280 nan 0.000 0.463 5 T N -2.200 112.095 114.554 -0.432 0.000 2.887 5 T HA 0.702 5.051 4.350 -0.000 0.000 0.288 5 T C -1.291 173.099 174.700 -0.517 0.000 1.021 5 T CA -0.803 61.089 62.100 -0.347 0.000 1.000 5 T CB 1.149 69.945 68.868 -0.119 0.000 1.034 5 T HN 0.542 nan 8.240 nan 0.000 0.467 6 W N 0.866 122.221 121.300 0.091 0.000 2.761 6 W HA 0.478 5.138 4.660 -0.000 0.000 0.340 6 W C 1.388 177.935 176.519 0.047 0.000 1.072 6 W CA -0.798 56.585 57.345 0.063 0.000 1.215 6 W CB 2.069 31.550 29.460 0.034 0.000 1.420 6 W HN 0.907 nan 8.180 nan 0.000 0.519 7 T N -2.306 112.420 114.554 0.287 0.000 3.035 7 T HA 0.317 4.667 4.350 -0.000 0.000 0.259 7 T C 1.439 176.222 174.700 0.139 0.000 1.078 7 T CA 0.966 63.165 62.100 0.166 0.000 1.132 7 T CB 0.048 68.993 68.868 0.128 0.000 0.900 7 T HN 1.170 nan 8.240 nan 0.000 0.480 8 G N 1.286 110.178 108.800 0.155 0.000 2.284 8 G HA2 0.060 4.020 3.960 -0.000 0.000 0.201 8 G HA3 0.060 4.020 3.960 -0.000 0.000 0.201 8 G C 0.370 175.299 174.900 0.049 0.000 0.998 8 G CA -0.162 44.987 45.100 0.081 0.000 0.651 8 G HN 1.067 nan 8.290 nan 0.000 0.489 9 A N 1.191 124.052 122.820 0.070 0.000 2.498 9 A HA 0.604 4.924 4.320 -0.000 0.000 0.239 9 A C 0.824 178.422 177.584 0.023 0.000 1.068 9 A CA 0.276 52.341 52.037 0.047 0.000 0.766 9 A CB 0.121 19.157 19.000 0.061 0.000 1.003 9 A HN 0.871 nan 8.150 nan 0.000 0.497 10 L N 2.036 123.257 121.223 -0.003 0.000 2.436 10 L HA 0.267 4.607 4.340 -0.000 0.000 0.265 10 L C 0.099 176.954 176.870 -0.026 0.000 1.168 10 L CA -0.295 54.524 54.840 -0.034 0.000 0.815 10 L CB 0.636 42.676 42.059 -0.032 0.000 1.109 10 L HN 0.560 nan 8.230 nan 0.000 0.462 11 I N 1.669 122.204 120.570 -0.059 0.000 2.379 11 I HA 0.082 4.252 4.170 -0.000 0.000 0.290 11 I C 0.443 176.549 176.117 -0.018 0.000 1.063 11 I CA 0.018 61.297 61.300 -0.035 0.000 1.351 11 I CB 0.747 38.706 38.000 -0.067 0.000 1.410 11 I HN 0.645 nan 8.210 nan 0.000 0.505 12 T N 5.001 119.555 114.554 0.001 0.000 2.895 12 T HA 0.608 4.958 4.350 -0.000 0.000 0.283 12 T C -2.433 172.279 174.700 0.019 0.000 1.014 12 T CA -1.984 60.120 62.100 0.007 0.000 1.037 12 T CB 1.846 70.719 68.868 0.008 0.000 1.006 12 T HN 0.265 nan 8.240 nan 0.000 0.468 13 P HA 0.328 nan 4.420 nan 0.000 0.278 13 P C 0.521 177.838 177.300 0.028 0.000 1.266 13 P CA -0.769 62.348 63.100 0.028 0.000 0.807 13 P CB 0.930 32.646 31.700 0.027 0.000 1.094 14 C N -2.016 117.303 119.300 0.031 0.000 3.392 14 C HA 0.800 5.260 4.460 -0.000 0.000 0.301 14 C C 0.727 175.731 174.990 0.023 0.000 1.354 14 C CA 0.025 59.059 59.018 0.027 0.000 1.732 14 C CB -0.609 27.150 27.740 0.032 0.000 2.269 14 C HN 0.661 nan 8.230 nan 0.000 0.673 15 A N 0.764 123.599 122.820 0.025 0.000 2.530 15 A HA 0.867 5.187 4.320 -0.000 0.000 0.288 15 A C -0.045 177.558 177.584 0.032 0.000 1.172 15 A CA 0.144 52.196 52.037 0.025 0.000 0.733 15 A CB 0.165 19.179 19.000 0.022 0.000 1.320 15 A HN 1.329 nan 8.150 nan 0.000 0.419 16 A N 0.007 122.849 122.820 0.036 0.000 2.520 16 A HA 0.485 4.805 4.320 -0.000 0.000 0.235 16 A C 0.002 177.622 177.584 0.059 0.000 1.065 16 A CA 0.471 52.536 52.037 0.046 0.000 0.764 16 A CB -0.222 18.807 19.000 0.049 0.000 1.002 16 A HN 0.671 nan 8.150 nan 0.000 0.502 17 E N 0.494 120.736 120.200 0.069 0.000 2.224 17 E HA 0.364 4.713 4.350 -0.000 0.000 0.265 17 E C -0.959 175.716 176.600 0.125 0.000 0.878 17 E CA -0.407 56.044 56.400 0.085 0.000 0.759 17 E CB 2.003 31.742 29.700 0.065 0.000 1.164 17 E HN 0.737 nan 8.360 nan 0.000 0.414 18 E N 1.415 121.729 120.200 0.191 0.000 2.166 18 E HA 0.193 4.543 4.350 -0.000 0.000 0.275 18 E C 0.086 176.906 176.600 0.367 0.000 0.941 18 E CA -0.147 56.423 56.400 0.284 0.000 0.784 18 E CB 0.972 30.904 29.700 0.385 0.000 1.115 18 E HN 0.550 nan 8.360 nan 0.000 0.399 19 S N 3.542 119.444 115.700 0.337 0.000 2.520 19 S HA 0.212 4.682 4.470 -0.000 0.000 0.219 19 S C 0.223 175.119 174.600 0.494 0.000 1.028 19 S CA -0.298 58.114 58.200 0.353 0.000 0.921 19 S CB 0.306 63.642 63.200 0.227 0.000 0.844 19 S HN 0.319 nan 8.310 nan 0.000 0.495 20 K N 1.309 121.960 120.400 0.417 0.000 2.221 20 K HA 0.473 4.793 4.320 -0.000 0.000 0.258 20 K C -1.297 175.345 176.600 0.069 0.000 0.944 20 K CA -0.908 55.566 56.287 0.311 0.000 0.823 20 K CB 1.921 34.530 32.500 0.183 0.000 1.113 20 K HN 0.145 nan 8.250 nan 0.000 0.431 21 L N 5.559 126.773 121.223 -0.014 0.000 2.584 21 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 21 L C -2.138 174.539 176.870 -0.322 0.000 1.195 21 L CA -0.762 53.789 54.840 -0.481 0.000 0.920 21 L CB -0.140 41.850 42.059 -0.116 0.000 1.173 21 L HN 0.479 nan 8.230 nan 0.000 0.489 22 P HA 0.121 nan 4.420 nan 0.000 0.274 22 P C -0.397 176.724 177.300 -0.299 0.000 1.237 22 P CA -0.225 62.697 63.100 -0.297 0.000 0.793 22 P CB 0.582 32.119 31.700 -0.272 0.000 0.977 23 I N 2.397 122.779 120.570 -0.313 0.000 2.452 23 I HA 0.131 4.300 4.170 -0.000 0.000 0.287 23 I C 0.959 176.963 176.117 -0.189 0.000 1.079 23 I CA 0.449 61.557 61.300 -0.321 0.000 1.387 23 I CB -0.199 37.606 38.000 -0.325 0.000 1.404 23 I HN 0.365 nan 8.210 nan 0.000 0.522 24 N N 5.160 123.771 118.700 -0.150 0.000 2.406 24 N HA 0.286 5.026 4.740 -0.000 0.000 0.283 24 N C 0.187 175.656 175.510 -0.068 0.000 1.074 24 N CA -0.295 52.695 53.050 -0.101 0.000 0.916 24 N CB 2.089 40.514 38.487 -0.104 0.000 1.639 24 N HN 0.580 nan 8.380 nan 0.000 0.485 25 A N 3.856 126.644 122.820 -0.053 0.000 1.940 25 A HA -0.081 4.238 4.320 -0.000 0.000 0.219 25 A C 1.973 179.543 177.584 -0.023 0.000 1.176 25 A CA 1.213 53.227 52.037 -0.039 0.000 0.631 25 A CB -0.428 18.550 19.000 -0.037 0.000 0.814 25 A HN 0.694 nan 8.150 nan 0.000 0.446 26 L N 0.144 121.356 121.223 -0.018 0.000 2.044 26 L HA -0.153 4.187 4.340 -0.000 0.000 0.205 26 L C 3.019 179.935 176.870 0.077 0.000 1.075 26 L CA 1.641 56.487 54.840 0.011 0.000 0.747 26 L CB -0.675 41.372 42.059 -0.020 0.000 0.903 26 L HN 0.585 nan 8.230 nan 0.000 0.435 27 S N -0.544 115.176 115.700 0.033 0.000 2.402 27 S HA -0.180 4.290 4.470 -0.000 0.000 0.229 27 S C 1.693 176.297 174.600 0.007 0.000 1.021 27 S CA 1.358 59.572 58.200 0.022 0.000 0.974 27 S CB -0.652 62.540 63.200 -0.014 0.000 0.800 27 S HN 0.376 nan 8.310 nan 0.000 0.484 28 N N 2.421 121.119 118.700 -0.004 0.000 2.223 28 N HA -0.123 4.617 4.740 -0.000 0.000 0.185 28 N C 1.790 177.295 175.510 -0.009 0.000 1.016 28 N CA 1.543 54.592 53.050 -0.003 0.000 0.863 28 N CB -0.432 38.046 38.487 -0.015 0.000 0.983 28 N HN 0.637 nan 8.380 nan 0.000 0.429 29 S N -0.861 114.839 115.700 0.000 0.000 2.474 29 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 29 S C 1.729 176.332 174.600 0.005 0.000 0.997 29 S CA 0.512 58.699 58.200 -0.021 0.000 0.949 29 S CB -0.243 62.950 63.200 -0.012 0.000 0.766 29 S HN 0.340 nan 8.310 nan 0.000 0.517 30 L N 0.814 122.063 121.223 0.044 0.000 2.145 30 L HA 0.494 4.834 4.340 -0.000 0.000 0.201 30 L C -0.077 176.849 176.870 0.093 0.000 1.075 30 L CA 0.902 55.785 54.840 0.072 0.000 0.773 30 L CB -0.191 41.677 42.059 -0.317 0.000 0.936 30 L HN 0.581 nan 8.230 nan 0.000 0.451 31 L N -2.845 118.392 121.223 0.024 0.000 2.526 31 L HA 0.491 4.830 4.340 -0.000 0.000 0.263 31 L C 0.413 177.277 176.870 -0.011 0.000 0.943 31 L CA -0.517 54.328 54.840 0.009 0.000 0.859 31 L CB 1.545 43.623 42.059 0.031 0.000 1.313 31 L HN 0.204 nan 8.230 nan 0.000 0.406 32 R N 0.434 120.874 120.500 -0.100 0.000 2.254 32 R HA 0.211 4.551 4.340 -0.000 0.000 0.195 32 R C -0.220 176.083 176.300 0.005 0.000 0.957 32 R CA 0.188 56.249 56.100 -0.065 0.000 1.024 32 R CB -0.318 29.908 30.300 -0.122 0.000 0.952 32 R HN 0.832 nan 8.270 nan 0.000 0.484 33 H N 1.932 121.021 119.070 0.031 0.000 2.970 33 H HA 0.057 4.613 4.556 -0.000 0.000 0.226 33 H C 0.487 175.783 175.328 -0.053 0.000 1.909 33 H CA -0.262 55.758 56.048 -0.046 0.000 1.388 33 H CB 0.071 29.817 29.762 -0.026 0.000 1.773 33 H HN 0.548 nan 8.280 nan 0.000 0.559 34 H N -0.770 118.379 119.070 0.131 0.000 2.456 34 H HA -0.113 4.443 4.556 -0.000 0.000 0.296 34 H C 1.411 176.807 175.328 0.113 0.000 1.079 34 H CA 1.030 57.131 56.048 0.088 0.000 1.322 34 H CB 0.024 29.803 29.762 0.029 0.000 1.388 34 H HN 0.334 nan 8.280 nan 0.000 0.538 35 N N 0.341 118.873 118.700 -0.279 0.000 2.520 35 N HA -0.074 4.666 4.740 -0.000 0.000 0.185 35 N C 1.110 176.655 175.510 0.060 0.000 1.068 35 N CA 0.801 53.810 53.050 -0.067 0.000 0.911 35 N CB -0.024 38.364 38.487 -0.164 0.000 0.961 35 N HN 0.461 nan 8.380 nan 0.000 0.446 36 M N 0.058 119.710 119.600 0.086 0.000 2.492 36 M HA 0.079 4.559 4.480 -0.000 0.000 0.262 36 M C 0.148 176.603 176.300 0.257 0.000 1.090 36 M CA 0.344 55.732 55.300 0.147 0.000 1.110 36 M CB -0.101 32.576 32.600 0.128 0.000 1.407 36 M HN -0.266 nan 8.290 nan 0.000 0.470 37 V N 1.585 121.667 119.914 0.279 0.000 2.398 37 V HA 0.329 4.449 4.120 -0.000 0.000 0.286 37 V C -0.683 175.699 176.094 0.481 0.000 1.026 37 V CA -0.826 61.673 62.300 0.331 0.000 0.868 37 V CB 0.888 32.891 31.823 0.300 0.000 0.982 37 V HN 0.370 nan 8.190 nan 0.000 0.443 38 Y N 2.812 123.304 120.300 0.320 0.000 2.609 38 Y HA 0.948 5.498 4.550 -0.000 0.000 0.342 38 Y C -0.380 175.600 175.900 0.135 0.000 1.058 38 Y CA -1.541 56.751 58.100 0.321 0.000 1.055 38 Y CB 1.726 40.313 38.460 0.212 0.000 1.292 38 Y HN 0.673 nan 8.280 nan 0.000 0.476 39 A N 1.294 124.153 122.820 0.066 0.000 2.365 39 A HA 0.673 4.993 4.320 -0.000 0.000 0.318 39 A C -0.172 177.464 177.584 0.087 0.000 1.091 39 A CA -0.421 51.444 52.037 -0.286 0.000 0.763 39 A CB 0.596 19.133 19.000 -0.772 0.000 1.248 39 A HN 1.097 nan 8.150 nan 0.000 0.442 40 T N -0.020 114.584 114.554 0.083 0.000 2.898 40 T HA 0.556 4.906 4.350 -0.000 0.000 0.301 40 T C 0.407 175.154 174.700 0.080 0.000 1.049 40 T CA 0.464 62.668 62.100 0.174 0.000 1.095 40 T CB 0.739 69.731 68.868 0.207 0.000 0.976 40 T HN 1.603 nan 8.240 nan 0.000 0.539 41 T N -2.061 112.545 114.554 0.087 0.000 2.812 41 T HA 0.477 4.827 4.350 -0.000 0.000 0.294 41 T C 1.368 176.093 174.700 0.041 0.000 1.159 41 T CA -0.214 61.920 62.100 0.056 0.000 1.008 41 T CB 1.192 70.099 68.868 0.066 0.000 1.289 41 T HN 0.800 nan 8.240 nan 0.000 0.514 42 S N -0.090 115.627 115.700 0.028 0.000 2.469 42 S HA -0.133 4.337 4.470 -0.000 0.000 0.238 42 S C 2.066 176.665 174.600 -0.002 0.000 0.998 42 S CA 0.677 58.883 58.200 0.010 0.000 0.957 42 S CB -0.653 62.553 63.200 0.009 0.000 0.764 42 S HN 0.606 nan 8.310 nan 0.000 0.514 43 R N 1.615 122.122 120.500 0.011 0.000 2.159 43 R HA 0.029 4.369 4.340 -0.000 0.000 0.237 43 R C 2.624 178.917 176.300 -0.011 0.000 1.131 43 R CA 1.299 57.401 56.100 0.003 0.000 0.982 43 R CB -1.568 28.742 30.300 0.017 0.000 0.868 43 R HN 0.944 nan 8.270 nan 0.000 0.453 44 S N -0.607 115.091 115.700 -0.003 0.000 2.597 44 S HA 0.366 4.835 4.470 -0.000 0.000 0.224 44 S C 1.855 176.431 174.600 -0.040 0.000 0.955 44 S CA 0.264 58.455 58.200 -0.015 0.000 0.933 44 S CB 0.709 63.914 63.200 0.009 0.000 0.788 44 S HN 0.425 nan 8.310 nan 0.000 0.488 45 A N 2.054 124.839 122.820 -0.057 0.000 1.933 45 A HA 0.178 4.498 4.320 -0.000 0.000 0.218 45 A C 2.237 179.718 177.584 -0.173 0.000 1.175 45 A CA 1.496 53.472 52.037 -0.101 0.000 0.628 45 A CB -1.590 17.345 19.000 -0.108 0.000 0.814 45 A HN 0.649 nan 8.150 nan 0.000 0.444 46 G N -0.763 107.939 108.800 -0.164 0.000 2.440 46 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.218 46 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.218 46 G C 1.583 176.388 174.900 -0.157 0.000 1.154 46 G CA 1.020 46.000 45.100 -0.200 0.000 0.767 46 G HN 0.652 nan 8.290 nan 0.000 0.552 47 Q N -0.433 119.309 119.800 -0.096 0.000 2.096 47 Q HA -0.121 4.219 4.340 -0.000 0.000 0.204 47 Q C 2.660 178.629 176.000 -0.052 0.000 0.982 47 Q CA 1.463 57.230 55.803 -0.060 0.000 0.850 47 Q CB -0.153 28.562 28.738 -0.038 0.000 0.901 47 Q HN 0.331 nan 8.270 nan 0.000 0.422 48 R N 1.117 121.579 120.500 -0.063 0.000 2.075 48 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 48 R C 2.006 178.266 176.300 -0.066 0.000 1.126 48 R CA 1.758 57.834 56.100 -0.039 0.000 0.963 48 R CB -0.266 30.015 30.300 -0.032 0.000 0.858 48 R HN 0.286 nan 8.270 nan 0.000 0.435 49 Q N 0.148 119.824 119.800 -0.206 0.000 2.077 49 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 49 Q C 2.058 178.022 176.000 -0.059 0.000 0.989 49 Q CA 2.231 57.836 55.803 -0.329 0.000 0.853 49 Q CB -0.170 28.050 28.738 -0.862 0.000 0.907 49 Q HN 0.329 nan 8.270 nan 0.000 0.418 50 K N 0.705 121.074 120.400 -0.051 0.000 2.032 50 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 50 K C 2.044 178.731 176.600 0.146 0.000 1.048 50 K CA 1.263 57.586 56.287 0.060 0.000 0.927 50 K CB -0.046 32.468 32.500 0.024 0.000 0.712 50 K HN 0.116 nan 8.250 nan 0.000 0.441 51 K N 0.551 121.023 120.400 0.121 0.000 2.057 51 K HA -0.119 4.200 4.320 -0.000 0.000 0.207 51 K C 1.987 178.784 176.600 0.328 0.000 1.049 51 K CA 1.624 58.019 56.287 0.180 0.000 0.931 51 K CB -0.107 32.465 32.500 0.121 0.000 0.714 51 K HN 0.143 nan 8.250 nan 0.000 0.440 52 V N -1.610 118.473 119.914 0.282 0.000 3.541 52 V HA 0.042 4.162 4.120 -0.000 0.000 0.267 52 V C 0.416 176.668 176.094 0.262 0.000 1.213 52 V CA 0.331 62.826 62.300 0.325 0.000 1.149 52 V CB -0.035 31.926 31.823 0.231 0.000 0.822 52 V HN -0.029 nan 8.190 nan 0.000 0.462 53 T N 4.254 119.010 114.554 0.338 0.000 2.770 53 T HA 0.728 5.078 4.350 -0.000 0.000 0.297 53 T C -0.795 174.078 174.700 0.287 0.000 0.997 53 T CA -0.055 62.216 62.100 0.285 0.000 0.949 53 T CB 0.349 69.502 68.868 0.475 0.000 0.941 53 T HN 0.606 nan 8.240 nan 0.000 0.457 54 F N -0.211 119.838 119.950 0.165 0.000 2.741 54 F HA 0.629 5.156 4.527 -0.000 0.000 0.311 54 F C -1.107 174.728 175.800 0.057 0.000 1.149 54 F CA -1.591 56.468 58.000 0.098 0.000 0.930 54 F CB 0.750 39.800 39.000 0.083 0.000 1.312 54 F HN 0.159 nan 8.300 nan 0.000 0.450 55 D N 1.218 121.784 120.400 0.276 0.000 2.308 55 D HA 0.380 5.020 4.640 -0.000 0.000 0.251 55 D C -0.687 175.752 176.300 0.231 0.000 1.127 55 D CA -0.068 54.025 54.000 0.156 0.000 0.876 55 D CB 0.952 41.815 40.800 0.105 0.000 1.176 55 D HN 0.534 nan 8.370 nan 0.000 0.446 56 R N 2.283 122.864 120.500 0.134 0.000 2.368 56 R HA 0.581 4.921 4.340 -0.000 0.000 0.302 56 R C -0.778 175.559 176.300 0.063 0.000 1.002 56 R CA -0.592 55.588 56.100 0.134 0.000 0.929 56 R CB 0.895 31.243 30.300 0.080 0.000 1.073 56 R HN 0.293 nan 8.270 nan 0.000 0.464 57 L N 1.850 123.104 121.223 0.053 0.000 2.341 57 L HA 0.502 4.842 4.340 -0.000 0.000 0.278 57 L C -0.568 176.306 176.870 0.006 0.000 1.005 57 L CA -0.174 54.676 54.840 0.018 0.000 0.818 57 L CB 1.857 43.923 42.059 0.011 0.000 1.259 57 L HN 0.523 nan 8.230 nan 0.000 0.418 58 Q N 2.242 122.034 119.800 -0.012 0.000 2.305 58 Q HA 0.772 5.112 4.340 -0.000 0.000 0.271 58 Q C -2.013 173.962 176.000 -0.042 0.000 1.046 58 Q CA -0.540 55.248 55.803 -0.023 0.000 0.798 58 Q CB 2.580 31.296 28.738 -0.037 0.000 1.286 58 Q HN 0.458 nan 8.270 nan 0.000 0.435 59 V N 4.936 124.827 119.914 -0.038 0.000 2.577 59 V HA 0.503 4.623 4.120 -0.000 0.000 0.303 59 V C -0.577 175.502 176.094 -0.025 0.000 1.042 59 V CA -0.689 61.584 62.300 -0.045 0.000 0.872 59 V CB 1.726 33.524 31.823 -0.042 0.000 0.998 59 V HN 0.734 nan 8.190 nan 0.000 0.423 60 L N 4.766 125.936 121.223 -0.087 0.000 2.325 60 L HA 0.748 5.087 4.340 -0.000 0.000 0.278 60 L C -0.406 176.474 176.870 0.017 0.000 1.023 60 L CA -0.507 54.245 54.840 -0.146 0.000 0.811 60 L CB 1.861 43.664 42.059 -0.427 0.000 1.249 60 L HN 0.804 nan 8.230 nan 0.000 0.431 61 D N -0.791 119.700 120.400 0.151 0.000 2.727 61 D HA 0.197 4.837 4.640 -0.000 0.000 0.264 61 D C 0.087 176.465 176.300 0.129 0.000 1.101 61 D CA -0.579 53.499 54.000 0.130 0.000 1.122 61 D CB 0.660 41.545 40.800 0.142 0.000 1.390 61 D HN 0.279 nan 8.370 nan 0.000 0.606 62 D N -1.121 119.292 120.400 0.022 0.000 2.117 62 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 62 D C 1.778 178.074 176.300 -0.006 0.000 0.987 62 D CA 1.262 55.239 54.000 -0.038 0.000 0.829 62 D CB -0.267 40.444 40.800 -0.148 0.000 0.961 62 D HN 0.405 nan 8.370 nan 0.000 0.460 63 H N -0.703 118.435 119.070 0.113 0.000 2.352 63 H HA -0.157 4.399 4.556 -0.000 0.000 0.299 63 H C 2.035 177.403 175.328 0.068 0.000 1.097 63 H CA 1.116 57.221 56.048 0.095 0.000 1.311 63 H CB -0.701 29.139 29.762 0.130 0.000 1.377 63 H HN 0.300 nan 8.280 nan 0.000 0.504 64 Y N 1.979 122.329 120.300 0.084 0.000 2.097 64 Y HA -0.231 4.319 4.550 -0.000 0.000 0.282 64 Y C 2.713 178.569 175.900 -0.074 0.000 1.152 64 Y CA 1.635 59.658 58.100 -0.128 0.000 1.136 64 Y CB -0.124 38.176 38.460 -0.267 0.000 0.975 64 Y HN -0.045 nan 8.280 nan 0.000 0.498 65 R N 0.066 120.666 120.500 0.166 0.000 2.081 65 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 65 R C 1.798 178.084 176.300 -0.023 0.000 1.131 65 R CA 1.566 57.706 56.100 0.066 0.000 0.960 65 R CB -0.399 29.959 30.300 0.097 0.000 0.856 65 R HN 0.414 nan 8.270 nan 0.000 0.436 66 D N 0.099 120.500 120.400 0.002 0.000 2.097 66 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 66 D C 1.996 178.279 176.300 -0.028 0.000 0.989 66 D CA 1.098 55.099 54.000 0.002 0.000 0.827 66 D CB -0.274 40.552 40.800 0.043 0.000 0.966 66 D HN -0.003 nan 8.370 nan 0.000 0.456 67 V N 1.110 120.987 119.914 -0.061 0.000 2.343 67 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 67 V C 2.463 178.485 176.094 -0.121 0.000 1.051 67 V CA 1.040 63.286 62.300 -0.090 0.000 1.036 67 V CB -0.487 31.250 31.823 -0.144 0.000 0.654 67 V HN 0.137 nan 8.190 nan 0.000 0.451 68 L N 0.642 121.727 121.223 -0.229 0.000 2.042 68 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 68 L C 2.417 179.222 176.870 -0.107 0.000 1.076 68 L CA 2.243 56.950 54.840 -0.222 0.000 0.749 68 L CB -0.870 40.993 42.059 -0.326 0.000 0.893 68 L HN 0.307 nan 8.230 nan 0.000 0.432 69 K N -0.451 119.904 120.400 -0.075 0.000 2.057 69 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 69 K C 1.902 178.486 176.600 -0.027 0.000 1.049 69 K CA 1.901 58.164 56.287 -0.039 0.000 0.931 69 K CB -0.133 32.353 32.500 -0.022 0.000 0.714 69 K HN 0.529 nan 8.250 nan 0.000 0.440 70 E N 0.299 120.487 120.200 -0.019 0.000 2.077 70 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 70 E C 2.120 178.719 176.600 -0.002 0.000 0.989 70 E CA 1.638 58.038 56.400 -0.000 0.000 0.800 70 E CB -0.106 29.605 29.700 0.019 0.000 0.746 70 E HN 0.351 nan 8.360 nan 0.000 0.452 71 M N 0.656 120.252 119.600 -0.006 0.000 2.117 71 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 71 M C 2.136 178.411 176.300 -0.041 0.000 1.065 71 M CA 1.459 56.748 55.300 -0.020 0.000 1.114 71 M CB -0.139 32.450 32.600 -0.018 0.000 1.361 71 M HN -0.049 nan 8.290 nan 0.000 0.408 72 K N 0.260 120.634 120.400 -0.042 0.000 2.097 72 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 72 K C 2.124 178.708 176.600 -0.026 0.000 1.049 72 K CA 1.368 57.632 56.287 -0.038 0.000 0.933 72 K CB -0.257 32.221 32.500 -0.037 0.000 0.717 72 K HN 0.304 nan 8.250 nan 0.000 0.442 73 A N 1.598 124.406 122.820 -0.021 0.000 1.902 73 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 73 A C 2.196 179.770 177.584 -0.017 0.000 1.181 73 A CA 1.662 53.691 52.037 -0.014 0.000 0.623 73 A CB -0.320 18.675 19.000 -0.009 0.000 0.818 73 A HN 0.070 nan 8.150 nan 0.000 0.443 74 K N -0.676 119.709 120.400 -0.025 0.000 2.057 74 K HA 0.106 4.426 4.320 -0.000 0.000 0.206 74 K C 2.464 179.040 176.600 -0.040 0.000 1.050 74 K CA 1.075 57.342 56.287 -0.034 0.000 0.935 74 K CB -1.135 31.336 32.500 -0.049 0.000 0.715 74 K HN 0.726 nan 8.250 nan 0.000 0.439 75 A N 0.980 123.776 122.820 -0.040 0.000 1.972 75 A HA -0.134 4.185 4.320 -0.000 0.000 0.219 75 A C 2.258 179.833 177.584 -0.016 0.000 1.169 75 A CA 2.026 54.044 52.037 -0.031 0.000 0.635 75 A CB -0.683 18.302 19.000 -0.026 0.000 0.810 75 A HN 0.394 nan 8.150 nan 0.000 0.446 76 S N -0.372 115.320 115.700 -0.013 0.000 2.507 76 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 76 S C 1.855 176.451 174.600 -0.007 0.000 0.988 76 S CA 1.471 59.667 58.200 -0.006 0.000 0.944 76 S CB -0.456 62.741 63.200 -0.005 0.000 0.762 76 S HN 0.902 nan 8.310 nan 0.000 0.526 77 T N -0.969 113.577 114.554 -0.013 0.000 3.129 77 T HA 0.210 4.560 4.350 -0.000 0.000 0.251 77 T C 0.408 175.099 174.700 -0.015 0.000 1.117 77 T CA -0.116 61.976 62.100 -0.013 0.000 1.034 77 T CB -0.198 68.660 68.868 -0.017 0.000 0.968 77 T HN 0.015 nan 8.240 nan 0.000 0.526 78 V N 1.618 121.523 119.914 -0.015 0.000 2.439 78 V HA 0.527 4.647 4.120 -0.000 0.000 0.282 78 V C -0.033 176.057 176.094 -0.006 0.000 1.039 78 V CA -1.009 61.281 62.300 -0.017 0.000 0.913 78 V CB 1.373 33.181 31.823 -0.026 0.000 0.983 78 V HN 0.258 nan 8.190 nan 0.000 0.460 79 K N 3.387 123.784 120.400 -0.005 0.000 2.274 79 K HA 0.843 5.163 4.320 -0.000 0.000 0.262 79 K C -0.434 176.168 176.600 0.002 0.000 0.961 79 K CA 0.084 56.373 56.287 0.003 0.000 0.833 79 K CB 1.211 33.713 32.500 0.004 0.000 1.102 79 K HN 1.133 nan 8.250 nan 0.000 0.436 80 A N 2.407 125.232 122.820 0.010 0.000 2.386 80 A HA 0.837 5.157 4.320 -0.000 0.000 0.311 80 A C -0.294 177.305 177.584 0.025 0.000 1.068 80 A CA -0.638 51.406 52.037 0.012 0.000 0.743 80 A CB 1.530 20.532 19.000 0.004 0.000 1.258 80 A HN 1.048 nan 8.150 nan 0.000 0.429 81 K N 1.455 121.874 120.400 0.030 0.000 2.156 81 K HA 0.755 5.075 4.320 -0.000 0.000 0.250 81 K C -0.421 176.205 176.600 0.043 0.000 0.955 81 K CA -0.650 55.657 56.287 0.033 0.000 0.855 81 K CB 0.783 33.298 32.500 0.024 0.000 1.101 81 K HN 0.752 nan 8.250 nan 0.000 0.434 82 L N 1.686 122.930 121.223 0.036 0.000 2.456 82 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 82 L C -0.079 176.779 176.870 -0.020 0.000 1.189 82 L CA -0.674 54.178 54.840 0.019 0.000 0.846 82 L CB 0.636 42.694 42.059 -0.002 0.000 1.111 82 L HN 0.592 nan 8.230 nan 0.000 0.475 83 L N 2.304 123.503 121.223 -0.040 0.000 2.375 83 L HA 0.244 4.584 4.340 -0.000 0.000 0.271 83 L C 0.546 177.318 176.870 -0.164 0.000 1.107 83 L CA 0.373 55.167 54.840 -0.077 0.000 0.806 83 L CB 1.554 43.572 42.059 -0.067 0.000 1.146 83 L HN 0.726 nan 8.230 nan 0.000 0.447 84 S N 1.228 116.839 115.700 -0.148 0.000 2.600 84 S HA 0.206 4.676 4.470 -0.000 0.000 0.265 84 S C 1.293 175.762 174.600 -0.217 0.000 1.325 84 S CA -0.687 57.404 58.200 -0.181 0.000 1.002 84 S CB 0.788 63.915 63.200 -0.121 0.000 0.921 84 S HN 0.328 nan 8.310 nan 0.000 0.554 85 V N 1.097 120.859 119.914 -0.254 0.000 2.392 85 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 85 V C 2.888 178.878 176.094 -0.172 0.000 1.059 85 V CA 2.188 64.330 62.300 -0.264 0.000 1.051 85 V CB -1.138 30.483 31.823 -0.336 0.000 0.658 85 V HN 0.946 nan 8.190 nan 0.000 0.455 86 E N 0.458 120.579 120.200 -0.131 0.000 2.031 86 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 86 E C 2.260 178.796 176.600 -0.107 0.000 0.994 86 E CA 1.797 58.138 56.400 -0.099 0.000 0.800 86 E CB -0.080 29.575 29.700 -0.075 0.000 0.752 86 E HN 0.734 nan 8.360 nan 0.000 0.447 87 E N 0.101 120.232 120.200 -0.116 0.000 2.077 87 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 87 E C 2.011 178.508 176.600 -0.172 0.000 0.989 87 E CA 0.983 57.306 56.400 -0.129 0.000 0.800 87 E CB -0.124 29.505 29.700 -0.119 0.000 0.746 87 E HN 0.263 nan 8.360 nan 0.000 0.452 88 A N 0.773 123.491 122.820 -0.172 0.000 1.873 88 A HA -0.189 4.130 4.320 -0.000 0.000 0.215 88 A C 2.418 179.916 177.584 -0.144 0.000 1.186 88 A CA 1.154 53.086 52.037 -0.175 0.000 0.616 88 A CB -0.887 18.024 19.000 -0.149 0.000 0.823 88 A HN 0.371 nan 8.150 nan 0.000 0.442 89 C N -0.673 118.555 119.300 -0.121 0.000 2.413 89 C HA -0.031 4.429 4.460 -0.000 0.000 0.277 89 C C 3.314 178.248 174.990 -0.094 0.000 1.265 89 C CA 1.762 60.724 59.018 -0.093 0.000 1.752 89 C CB -1.117 26.572 27.740 -0.085 0.000 1.998 89 C HN 0.743 nan 8.230 nan 0.000 0.489 90 K N -0.127 120.213 120.400 -0.099 0.000 2.365 90 K HA 0.105 4.424 4.320 -0.000 0.000 0.199 90 K C 1.417 177.977 176.600 -0.068 0.000 1.045 90 K CA 1.029 57.271 56.287 -0.075 0.000 0.962 90 K CB -0.717 31.743 32.500 -0.067 0.000 0.759 90 K HN 0.677 nan 8.250 nan 0.000 0.469 91 L N 1.218 122.359 121.223 -0.137 0.000 2.591 91 L HA 0.073 4.412 4.340 -0.000 0.000 0.228 91 L C 0.313 177.105 176.870 -0.131 0.000 1.133 91 L CA -0.076 54.657 54.840 -0.178 0.000 0.880 91 L CB 0.228 42.070 42.059 -0.361 0.000 1.033 91 L HN 0.136 nan 8.230 nan 0.000 0.450 92 T N 1.891 116.377 114.554 -0.113 0.000 2.761 92 T HA 0.212 4.561 4.350 -0.000 0.000 0.296 92 T C -2.306 172.268 174.700 -0.210 0.000 0.934 92 T CA -1.165 60.860 62.100 -0.124 0.000 1.091 92 T CB 0.899 69.709 68.868 -0.096 0.000 0.896 92 T HN -0.140 nan 8.240 nan 0.000 0.515 93 P HA 0.102 nan 4.420 nan 0.000 0.265 93 P C -1.879 175.157 177.300 -0.441 0.000 1.193 93 P CA -1.267 61.600 63.100 -0.387 0.000 0.765 93 P CB 0.143 31.741 31.700 -0.171 0.000 0.823 94 P HA -0.166 nan 4.420 nan 0.000 0.219 94 P C 0.597 177.566 177.300 -0.551 0.000 1.146 94 P CA 1.703 64.440 63.100 -0.606 0.000 0.808 94 P CB -0.112 31.132 31.700 -0.761 0.000 0.779 95 H N -2.246 116.715 119.070 -0.181 0.000 2.486 95 H HA 0.274 4.830 4.556 -0.000 0.000 0.284 95 H C 0.511 175.767 175.328 -0.119 0.000 1.103 95 H CA -0.272 55.703 56.048 -0.122 0.000 1.089 95 H CB -0.020 29.683 29.762 -0.097 0.000 1.603 95 H HN 0.055 nan 8.280 nan 0.000 0.557 96 S N 1.066 116.725 115.700 -0.069 0.000 2.566 96 S HA 0.288 4.758 4.470 -0.000 0.000 0.280 96 S C 0.707 175.262 174.600 -0.074 0.000 1.343 96 S CA -0.455 57.692 58.200 -0.088 0.000 1.036 96 S CB 0.415 63.554 63.200 -0.100 0.000 0.866 96 S HN 0.521 nan 8.310 nan 0.000 0.526 97 A N 4.247 126.998 122.820 -0.115 0.000 2.548 97 A HA 0.221 4.541 4.320 -0.000 0.000 0.247 97 A C 0.572 178.136 177.584 -0.034 0.000 1.067 97 A CA -0.053 51.939 52.037 -0.076 0.000 0.757 97 A CB -0.308 18.616 19.000 -0.126 0.000 0.996 97 A HN 0.847 nan 8.150 nan 0.000 0.504 98 K N 2.336 122.715 120.400 -0.036 0.000 2.276 98 K HA 0.328 4.648 4.320 -0.000 0.000 0.259 98 K C 0.360 176.878 176.600 -0.138 0.000 1.001 98 K CA 0.047 56.280 56.287 -0.090 0.000 0.927 98 K CB 0.442 32.894 32.500 -0.079 0.000 0.969 98 K HN 0.445 nan 8.250 nan 0.000 0.490 99 S N -0.290 115.210 115.700 -0.335 0.000 2.592 99 S HA 0.014 4.484 4.470 -0.000 0.000 0.271 99 S C 0.928 175.342 174.600 -0.311 0.000 1.326 99 S CA -0.425 57.542 58.200 -0.388 0.000 1.024 99 S CB 0.854 63.481 63.200 -0.954 0.000 0.921 99 S HN 0.647 nan 8.310 nan 0.000 0.527 100 K N 2.329 122.548 120.400 -0.303 0.000 2.487 100 K HA 0.121 4.441 4.320 -0.000 0.000 0.192 100 K C 0.098 176.354 176.600 -0.573 0.000 1.027 100 K CA 0.591 56.624 56.287 -0.423 0.000 1.054 100 K CB -1.125 31.089 32.500 -0.477 0.000 0.824 100 K HN 0.804 nan 8.250 nan 0.000 0.510 101 Y N 1.115 121.261 120.300 -0.257 0.000 2.811 101 Y HA 0.456 5.006 4.550 -0.000 0.000 0.330 101 Y C 1.480 177.336 175.900 -0.075 0.000 1.081 101 Y CA -0.659 57.309 58.100 -0.220 0.000 1.408 101 Y CB 0.068 38.234 38.460 -0.490 0.000 1.235 101 Y HN 0.372 nan 8.280 nan 0.000 0.529 102 G N 0.392 109.179 108.800 -0.022 0.000 2.160 102 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 102 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 102 G C -0.456 174.545 174.900 0.168 0.000 1.022 102 G CA 0.409 45.545 45.100 0.059 0.000 0.741 102 G HN 0.578 nan 8.290 nan 0.000 0.508 103 Y N -2.812 117.487 120.300 -0.001 0.000 2.609 103 Y HA 0.773 5.322 4.550 -0.000 0.000 0.336 103 Y C 0.357 176.264 175.900 0.010 0.000 1.129 103 Y CA -1.152 56.952 58.100 0.007 0.000 1.040 103 Y CB 0.601 39.071 38.460 0.016 0.000 1.310 103 Y HN 0.635 nan 8.280 nan 0.000 0.460 104 G N -0.033 108.835 108.800 0.112 0.000 3.016 104 G HA2 0.545 4.504 3.960 -0.000 0.000 0.270 104 G HA3 0.545 4.504 3.960 -0.000 0.000 0.270 104 G C 0.201 175.149 174.900 0.081 0.000 1.352 104 G CA -0.770 44.342 45.100 0.020 0.000 1.060 104 G HN 1.184 nan 8.290 nan 0.000 0.538 105 A N -0.725 122.099 122.820 0.006 0.000 1.930 105 A HA 0.030 4.349 4.320 -0.000 0.000 0.217 105 A C 2.465 180.021 177.584 -0.048 0.000 1.175 105 A CA 2.174 54.197 52.037 -0.024 0.000 0.627 105 A CB -0.478 18.468 19.000 -0.090 0.000 0.815 105 A HN 0.449 nan 8.150 nan 0.000 0.443 106 K N 0.164 120.531 120.400 -0.055 0.000 2.057 106 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 106 K C 1.692 178.277 176.600 -0.025 0.000 1.049 106 K CA 1.528 57.774 56.287 -0.067 0.000 0.931 106 K CB -0.865 31.600 32.500 -0.058 0.000 0.714 106 K HN 0.738 nan 8.250 nan 0.000 0.440 107 D N 0.270 120.687 120.400 0.028 0.000 2.144 107 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 107 D C 1.973 178.286 176.300 0.021 0.000 0.984 107 D CA 1.131 55.157 54.000 0.043 0.000 0.834 107 D CB -0.474 40.393 40.800 0.111 0.000 0.955 107 D HN 0.111 nan 8.370 nan 0.000 0.465 108 V N 1.316 121.266 119.914 0.060 0.000 2.295 108 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 108 V C 2.537 178.613 176.094 -0.031 0.000 1.049 108 V CA 1.582 63.897 62.300 0.026 0.000 1.024 108 V CB -0.361 31.511 31.823 0.081 0.000 0.648 108 V HN 0.138 nan 8.190 nan 0.000 0.447 109 R N 0.221 120.691 120.500 -0.049 0.000 2.096 109 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 109 R C 1.798 178.064 176.300 -0.058 0.000 1.127 109 R CA 1.704 57.760 56.100 -0.073 0.000 0.968 109 R CB -0.444 29.788 30.300 -0.112 0.000 0.861 109 R HN 0.640 nan 8.270 nan 0.000 0.440 110 N N 0.867 119.539 118.700 -0.047 0.000 2.521 110 N HA 0.056 4.795 4.740 -0.000 0.000 0.188 110 N C -0.200 175.288 175.510 -0.038 0.000 1.146 110 N CA -0.058 52.969 53.050 -0.039 0.000 0.893 110 N CB 0.155 38.623 38.487 -0.031 0.000 0.975 110 N HN 0.056 nan 8.380 nan 0.000 0.451 111 L N 0.732 121.928 121.223 -0.045 0.000 3.717 111 L HA -0.241 4.099 4.340 -0.000 0.000 0.414 111 L C 0.376 177.216 176.870 -0.050 0.000 1.228 111 L CA -0.244 54.566 54.840 -0.051 0.000 0.918 111 L CB -2.335 39.697 42.059 -0.045 0.000 1.865 111 L HN 0.200 nan 8.230 nan 0.000 0.922 112 S N -0.128 115.541 115.700 -0.052 0.000 2.558 112 S HA 0.161 4.631 4.470 -0.000 0.000 0.293 112 S C 1.611 176.166 174.600 -0.075 0.000 1.292 112 S CA 0.141 58.310 58.200 -0.052 0.000 1.063 112 S CB 1.422 64.599 63.200 -0.038 0.000 0.831 112 S HN 0.511 nan 8.310 nan 0.000 0.499 113 S N 4.648 120.317 115.700 -0.052 0.000 2.359 113 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 113 S C 2.384 176.941 174.600 -0.072 0.000 1.035 113 S CA 1.325 59.496 58.200 -0.048 0.000 1.018 113 S CB -1.350 61.832 63.200 -0.029 0.000 0.876 113 S HN 1.138 nan 8.310 nan 0.000 0.448 114 R N 1.486 121.937 120.500 -0.081 0.000 2.105 114 R HA 0.290 4.629 4.340 -0.000 0.000 0.239 114 R C 2.675 178.785 176.300 -0.317 0.000 1.135 114 R CA 1.961 57.997 56.100 -0.106 0.000 0.967 114 R CB -1.786 28.493 30.300 -0.035 0.000 0.861 114 R HN 0.773 nan 8.270 nan 0.000 0.442 115 A N 0.256 122.792 122.820 -0.474 0.000 1.840 115 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 115 A C 2.570 179.884 177.584 -0.450 0.000 1.198 115 A CA 1.603 53.092 52.037 -0.913 0.000 0.608 115 A CB -0.542 18.132 19.000 -0.543 0.000 0.839 115 A HN 0.333 nan 8.150 nan 0.000 0.443 116 V N 1.318 121.104 119.914 -0.213 0.000 2.392 116 V HA -0.267 3.853 4.120 -0.000 0.000 0.249 116 V C 2.283 178.398 176.094 0.035 0.000 1.059 116 V CA 2.108 64.357 62.300 -0.085 0.000 1.051 116 V CB -1.029 30.782 31.823 -0.021 0.000 0.658 116 V HN 0.536 nan 8.190 nan 0.000 0.455 117 N N -0.650 118.061 118.700 0.018 0.000 2.142 117 N HA -0.173 4.567 4.740 -0.000 0.000 0.186 117 N C 1.901 177.454 175.510 0.072 0.000 1.023 117 N CA 1.525 54.616 53.050 0.069 0.000 0.852 117 N CB -0.533 37.967 38.487 0.022 0.000 0.998 117 N HN 0.639 nan 8.380 nan 0.000 0.424 118 H N 1.005 120.028 119.070 -0.079 0.000 2.353 118 H HA 0.021 4.577 4.556 -0.000 0.000 0.300 118 H C 2.089 177.409 175.328 -0.013 0.000 1.090 118 H CA 1.011 57.029 56.048 -0.050 0.000 1.327 118 H CB 0.056 29.808 29.762 -0.018 0.000 1.383 118 H HN 0.122 nan 8.280 nan 0.000 0.508 119 I N 0.216 120.736 120.570 -0.082 0.000 2.163 119 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 119 I C 2.378 178.431 176.117 -0.106 0.000 1.085 119 I CA 1.596 62.829 61.300 -0.111 0.000 1.347 119 I CB -0.465 37.459 38.000 -0.126 0.000 1.044 119 I HN 0.321 nan 8.210 nan 0.000 0.408 120 H N 0.040 119.077 119.070 -0.054 0.000 2.387 120 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 120 H C 2.543 177.884 175.328 0.022 0.000 1.099 120 H CA 1.998 58.041 56.048 -0.009 0.000 1.315 120 H CB -0.022 29.720 29.762 -0.034 0.000 1.380 120 H HN 0.397 nan 8.280 nan 0.000 0.513 121 S N -0.255 115.476 115.700 0.052 0.000 2.387 121 S HA -0.111 4.359 4.470 -0.000 0.000 0.226 121 S C 2.271 176.815 174.600 -0.093 0.000 1.026 121 S CA 1.063 59.248 58.200 -0.027 0.000 0.972 121 S CB -0.639 62.520 63.200 -0.067 0.000 0.814 121 S HN 0.159 nan 8.310 nan 0.000 0.477 122 V N 0.980 120.773 119.914 -0.201 0.000 2.343 122 V HA -0.132 3.987 4.120 -0.000 0.000 0.247 122 V C 2.258 178.337 176.094 -0.024 0.000 1.051 122 V CA 1.855 64.051 62.300 -0.174 0.000 1.036 122 V CB -1.048 30.638 31.823 -0.228 0.000 0.654 122 V HN 0.713 nan 8.190 nan 0.000 0.451 123 W N 1.684 122.910 121.300 -0.123 0.000 2.355 123 W HA -0.289 4.371 4.660 -0.000 0.000 0.309 123 W C 2.633 179.122 176.519 -0.050 0.000 1.206 123 W CA 3.066 60.365 57.345 -0.077 0.000 1.284 123 W CB -0.313 29.102 29.460 -0.074 0.000 1.145 123 W HN 0.311 nan 8.180 nan 0.000 0.502 124 K N 0.743 121.223 120.400 0.133 0.000 2.063 124 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 124 K C 1.530 178.085 176.600 -0.075 0.000 1.048 124 K CA 2.386 58.696 56.287 0.037 0.000 0.928 124 K CB -1.539 31.007 32.500 0.077 0.000 0.713 124 K HN 0.414 nan 8.250 nan 0.000 0.442 125 D N -0.188 120.163 120.400 -0.080 0.000 2.144 125 D HA -0.064 4.576 4.640 -0.000 0.000 0.199 125 D C 1.840 178.052 176.300 -0.147 0.000 0.984 125 D CA 0.901 54.843 54.000 -0.098 0.000 0.834 125 D CB -0.017 40.731 40.800 -0.087 0.000 0.955 125 D HN 0.422 nan 8.370 nan 0.000 0.465 126 L N -0.081 121.010 121.223 -0.221 0.000 2.083 126 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 126 L C 2.360 179.043 176.870 -0.310 0.000 1.083 126 L CA 0.652 55.315 54.840 -0.294 0.000 0.752 126 L CB -0.302 41.497 42.059 -0.434 0.000 0.899 126 L HN 0.236 nan 8.230 nan 0.000 0.433 127 L N -0.955 120.064 121.223 -0.339 0.000 2.131 127 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 127 L C 2.366 179.151 176.870 -0.143 0.000 1.087 127 L CA 1.076 55.763 54.840 -0.254 0.000 0.767 127 L CB -0.396 41.526 42.059 -0.227 0.000 0.917 127 L HN 0.255 nan 8.230 nan 0.000 0.441 128 E N -0.675 119.456 120.200 -0.115 0.000 2.076 128 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 128 E C 0.386 176.944 176.600 -0.069 0.000 0.979 128 E CA 0.511 56.867 56.400 -0.073 0.000 0.807 128 E CB 0.245 29.913 29.700 -0.054 0.000 0.761 128 E HN 0.191 nan 8.360 nan 0.000 0.454 129 D N 0.003 120.353 120.400 -0.083 0.000 2.344 129 D HA 0.061 4.701 4.640 -0.000 0.000 0.239 129 D C -0.268 175.982 176.300 -0.084 0.000 1.064 129 D CA -0.227 53.731 54.000 -0.069 0.000 0.829 129 D CB 1.462 42.226 40.800 -0.059 0.000 1.129 129 D HN -0.014 nan 8.370 nan 0.000 0.506 130 T N 0.517 115.030 114.554 -0.068 0.000 3.228 130 T HA 0.223 4.572 4.350 -0.000 0.000 0.278 130 T C 0.691 175.360 174.700 -0.052 0.000 1.014 130 T CA -0.236 61.821 62.100 -0.071 0.000 0.904 130 T CB 0.257 69.087 68.868 -0.064 0.000 1.110 130 T HN 0.166 nan 8.240 nan 0.000 0.541 131 V N 0.428 120.316 119.914 -0.043 0.000 3.165 131 V HA 0.277 4.397 4.120 -0.000 0.000 0.231 131 V C 0.394 176.477 176.094 -0.018 0.000 1.365 131 V CA 0.540 62.824 62.300 -0.027 0.000 1.286 131 V CB 0.563 32.374 31.823 -0.021 0.000 1.081 131 V HN 0.523 nan 8.190 nan 0.000 0.477 132 T N 4.826 119.368 114.554 -0.020 0.000 2.784 132 T HA 0.215 4.565 4.350 -0.000 0.000 0.291 132 T C -2.527 172.170 174.700 -0.004 0.000 0.942 132 T CA -0.355 61.741 62.100 -0.006 0.000 1.161 132 T CB 0.751 69.615 68.868 -0.007 0.000 0.885 132 T HN 0.318 nan 8.240 nan 0.000 0.534 133 P HA 0.104 nan 4.420 nan 0.000 0.264 133 P C -0.131 177.166 177.300 -0.005 0.000 1.183 133 P CA 0.028 63.140 63.100 0.019 0.000 0.763 133 P CB 0.311 32.068 31.700 0.094 0.000 0.807 134 I N 2.371 122.919 120.570 -0.036 0.000 2.428 134 I HA 0.126 4.295 4.170 -0.000 0.000 0.289 134 I C 0.993 177.089 176.117 -0.034 0.000 1.019 134 I CA -0.387 60.895 61.300 -0.029 0.000 1.351 134 I CB 0.709 38.681 38.000 -0.046 0.000 1.412 134 I HN 0.332 nan 8.210 nan 0.000 0.513 135 D N 4.146 124.541 120.400 -0.008 0.000 2.399 135 D HA 0.181 4.821 4.640 -0.000 0.000 0.241 135 D C -0.366 175.900 176.300 -0.057 0.000 1.133 135 D CA 0.253 54.237 54.000 -0.027 0.000 0.890 135 D CB 0.794 41.595 40.800 0.002 0.000 1.201 135 D HN 0.623 nan 8.370 nan 0.000 0.432 136 T N -0.622 113.870 114.554 -0.104 0.000 2.906 136 T HA 0.581 4.931 4.350 -0.000 0.000 0.295 136 T C -0.352 174.196 174.700 -0.253 0.000 1.061 136 T CA -0.988 61.011 62.100 -0.169 0.000 1.000 136 T CB 1.566 70.357 68.868 -0.129 0.000 1.103 136 T HN 0.226 nan 8.240 nan 0.000 0.486 137 T N 2.329 116.574 114.554 -0.514 0.000 2.875 137 T HA 0.600 4.950 4.350 -0.000 0.000 0.284 137 T C -0.389 174.027 174.700 -0.473 0.000 0.995 137 T CA -0.615 61.146 62.100 -0.565 0.000 1.060 137 T CB 0.741 69.082 68.868 -0.877 0.000 0.967 137 T HN 0.721 nan 8.240 nan 0.000 0.476 138 I N 3.847 124.311 120.570 -0.177 0.000 2.433 138 I HA 0.526 4.696 4.170 -0.000 0.000 0.292 138 I C -1.099 175.045 176.117 0.045 0.000 1.001 138 I CA -0.853 60.439 61.300 -0.013 0.000 1.119 138 I CB 0.804 38.849 38.000 0.075 0.000 1.289 138 I HN 0.408 nan 8.210 nan 0.000 0.438 139 M N 6.333 126.010 119.600 0.127 0.000 2.572 139 M HA 0.505 4.985 4.480 -0.000 0.000 0.299 139 M C -0.562 175.800 176.300 0.103 0.000 1.205 139 M CA -0.610 54.770 55.300 0.133 0.000 0.876 139 M CB 1.816 34.551 32.600 0.224 0.000 1.728 139 M HN 0.592 nan 8.290 nan 0.000 0.458 140 A N 2.397 125.256 122.820 0.066 0.000 2.320 140 A HA 0.495 4.815 4.320 -0.000 0.000 0.287 140 A C -0.051 177.566 177.584 0.055 0.000 1.181 140 A CA -0.462 51.605 52.037 0.050 0.000 0.831 140 A CB 0.249 19.264 19.000 0.026 0.000 1.102 140 A HN 0.760 nan 8.150 nan 0.000 0.513 141 K N 2.102 122.537 120.400 0.058 0.000 2.237 141 K HA 0.141 4.461 4.320 -0.000 0.000 0.270 141 K C -0.441 176.167 176.600 0.013 0.000 1.015 141 K CA -0.106 56.203 56.287 0.036 0.000 0.949 141 K CB 0.715 33.242 32.500 0.046 0.000 0.976 141 K HN 0.726 nan 8.250 nan 0.000 0.472 142 N N 3.129 121.807 118.700 -0.036 0.000 2.546 142 N HA 0.098 4.837 4.740 -0.000 0.000 0.238 142 N C -1.092 174.301 175.510 -0.195 0.000 0.984 142 N CA -0.163 52.831 53.050 -0.095 0.000 0.935 142 N CB 0.993 39.420 38.487 -0.100 0.000 1.122 142 N HN 0.462 nan 8.380 nan 0.000 0.510 143 E N 0.977 121.046 120.200 -0.218 0.000 2.312 143 E HA 0.428 4.778 4.350 -0.000 0.000 0.267 143 E C -0.809 175.371 176.600 -0.699 0.000 0.894 143 E CA -0.892 55.258 56.400 -0.417 0.000 0.773 143 E CB 2.748 32.258 29.700 -0.317 0.000 1.241 143 E HN 0.084 nan 8.360 nan 0.000 0.432 144 V N 2.958 122.315 119.914 -0.929 0.000 2.427 144 V HA 0.488 4.608 4.120 -0.000 0.000 0.286 144 V C -0.828 174.593 176.094 -1.122 0.000 1.034 144 V CA -0.311 61.456 62.300 -0.889 0.000 0.893 144 V CB 0.235 31.687 31.823 -0.618 0.000 0.982 144 V HN 0.506 nan 8.190 nan 0.000 0.452 145 F N 2.148 121.766 119.950 -0.553 0.000 2.664 145 F HA 0.607 5.134 4.527 -0.000 0.000 0.317 145 F C 0.058 175.663 175.800 -0.325 0.000 1.108 145 F CA -0.752 56.982 58.000 -0.443 0.000 0.957 145 F CB 1.329 40.030 39.000 -0.497 0.000 1.365 145 F HN 0.520 nan 8.300 nan 0.000 0.475 146 C N 1.769 121.158 119.300 0.149 0.000 2.358 146 C HA 0.776 5.236 4.460 -0.000 0.000 0.342 146 C C -0.010 175.191 174.990 0.351 0.000 1.234 146 C CA -0.548 58.599 59.018 0.215 0.000 1.969 146 C CB 0.326 28.147 27.740 0.135 0.000 2.346 146 C HN 0.560 nan 8.230 nan 0.000 0.525 147 V N 6.323 126.468 119.914 0.386 0.000 2.720 147 V HA 0.046 4.166 4.120 -0.000 0.000 0.307 147 V C 0.384 176.561 176.094 0.139 0.000 1.071 147 V CA 0.942 63.395 62.300 0.255 0.000 1.199 147 V CB 0.464 32.361 31.823 0.124 0.000 0.900 147 V HN 0.899 nan 8.190 nan 0.000 0.494 148 Q N 6.210 126.063 119.800 0.089 0.000 2.506 148 Q HA 0.265 4.605 4.340 -0.000 0.000 0.242 148 Q C -1.826 174.182 176.000 0.012 0.000 1.060 148 Q CA -1.608 54.220 55.803 0.041 0.000 0.826 148 Q CB 1.431 30.185 28.738 0.026 0.000 1.169 148 Q HN 0.521 nan 8.270 nan 0.000 0.521 149 P HA -0.250 nan 4.420 nan 0.000 0.216 149 P C 1.130 178.423 177.300 -0.011 0.000 1.150 149 P CA 1.128 64.224 63.100 -0.008 0.000 0.837 149 P CB 0.302 31.997 31.700 -0.009 0.000 0.786 150 E N 0.630 120.826 120.200 -0.007 0.000 2.347 150 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 150 E C 1.345 177.937 176.600 -0.012 0.000 1.008 150 E CA 1.241 57.635 56.400 -0.009 0.000 0.852 150 E CB -0.437 29.259 29.700 -0.007 0.000 0.783 150 E HN 0.266 nan 8.360 nan 0.000 0.505 151 K N 0.245 120.637 120.400 -0.014 0.000 2.308 151 K HA 0.171 4.491 4.320 -0.000 0.000 0.197 151 K C 0.508 177.093 176.600 -0.024 0.000 1.049 151 K CA 0.591 56.867 56.287 -0.019 0.000 0.991 151 K CB 0.531 33.020 32.500 -0.020 0.000 0.836 151 K HN 0.246 nan 8.250 nan 0.000 0.500 152 G N 1.050 109.834 108.800 -0.027 0.000 2.764 152 G HA2 0.066 4.026 3.960 -0.000 0.000 0.686 152 G HA3 0.066 4.026 3.960 -0.000 0.000 0.686 152 G C 0.111 174.983 174.900 -0.047 0.000 1.258 152 G CA -0.459 44.620 45.100 -0.035 0.000 0.846 152 G HN 0.515 nan 8.290 nan 0.000 0.596 153 G N 1.510 110.272 108.800 -0.063 0.000 2.915 153 G HA2 0.168 4.128 3.960 -0.000 0.000 0.686 153 G HA3 0.168 4.128 3.960 -0.000 0.000 0.686 153 G C 0.280 175.110 174.900 -0.117 0.000 1.414 153 G CA 0.380 45.428 45.100 -0.087 0.000 1.053 153 G HN 1.363 nan 8.290 nan 0.000 0.598 154 R N 1.394 121.779 120.500 -0.193 0.000 2.641 154 R HA 0.207 4.547 4.340 -0.000 0.000 0.269 154 R C 0.892 177.135 176.300 -0.095 0.000 1.074 154 R CA -0.215 55.716 56.100 -0.283 0.000 1.133 154 R CB 0.476 30.423 30.300 -0.589 0.000 1.029 154 R HN 0.637 nan 8.270 nan 0.000 0.488 155 K N 3.317 123.721 120.400 0.007 0.000 2.451 155 K HA 0.089 4.408 4.320 -0.000 0.000 0.280 155 K C -1.829 174.792 176.600 0.035 0.000 1.020 155 K CA -0.933 55.323 56.287 -0.051 0.000 1.008 155 K CB 0.128 32.443 32.500 -0.309 0.000 0.917 155 K HN 0.379 nan 8.250 nan 0.000 0.478 156 P HA 0.062 nan 4.420 nan 0.000 0.276 156 P C -0.877 176.462 177.300 0.064 0.000 1.252 156 P CA -0.540 62.581 63.100 0.034 0.000 0.802 156 P CB 0.717 32.419 31.700 0.003 0.000 1.035 157 A N 2.774 125.639 122.820 0.075 0.000 2.540 157 A HA 0.044 4.364 4.320 -0.000 0.000 0.239 157 A C 0.672 178.301 177.584 0.074 0.000 1.061 157 A CA 0.083 52.174 52.037 0.089 0.000 0.758 157 A CB -0.441 18.596 19.000 0.062 0.000 0.991 157 A HN 0.443 nan 8.150 nan 0.000 0.502 158 R N 0.852 121.413 120.500 0.102 0.000 2.582 158 R HA 0.453 4.793 4.340 -0.000 0.000 0.271 158 R C -0.604 175.749 176.300 0.088 0.000 1.078 158 R CA -0.255 55.905 56.100 0.100 0.000 1.127 158 R CB 0.454 30.831 30.300 0.127 0.000 1.038 158 R HN 0.673 nan 8.270 nan 0.000 0.500 159 L N 2.688 123.967 121.223 0.093 0.000 2.344 159 L HA 0.582 4.922 4.340 -0.000 0.000 0.272 159 L C -0.028 176.926 176.870 0.141 0.000 1.035 159 L CA -0.719 54.181 54.840 0.098 0.000 0.807 159 L CB 1.328 43.431 42.059 0.072 0.000 1.237 159 L HN 0.511 nan 8.230 nan 0.000 0.442 160 I N 1.609 122.282 120.570 0.171 0.000 2.545 160 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 160 I C -1.304 174.987 176.117 0.289 0.000 1.040 160 I CA -0.654 60.784 61.300 0.230 0.000 1.068 160 I CB 2.120 40.252 38.000 0.220 0.000 1.251 160 I HN 0.229 nan 8.210 nan 0.000 0.424 161 V N 8.168 128.253 119.914 0.284 0.000 2.443 161 V HA 0.517 4.636 4.120 -0.000 0.000 0.293 161 V C -0.888 175.363 176.094 0.262 0.000 1.021 161 V CA -0.457 61.959 62.300 0.193 0.000 0.848 161 V CB 1.192 33.110 31.823 0.158 0.000 0.998 161 V HN 0.575 nan 8.190 nan 0.000 0.424 162 F N 5.121 125.115 119.950 0.073 0.000 2.601 162 F HA 0.947 5.473 4.527 -0.000 0.000 0.309 162 F C -3.016 172.821 175.800 0.061 0.000 1.089 162 F CA -2.767 55.275 58.000 0.071 0.000 0.940 162 F CB 1.744 40.781 39.000 0.062 0.000 1.273 162 F HN 0.285 nan 8.300 nan 0.000 0.450 163 P HA 0.173 nan 4.420 nan 0.000 0.279 163 P C -0.993 176.434 177.300 0.211 0.000 1.276 163 P CA -0.160 63.008 63.100 0.114 0.000 0.801 163 P CB 1.074 32.843 31.700 0.115 0.000 1.127 164 D N -0.833 119.666 120.400 0.165 0.000 2.400 164 D HA -0.056 4.584 4.640 -0.000 0.000 0.238 164 D C 1.375 177.801 176.300 0.209 0.000 1.157 164 D CA -0.261 53.860 54.000 0.202 0.000 0.889 164 D CB 0.274 41.226 40.800 0.254 0.000 1.199 164 D HN 0.104 nan 8.370 nan 0.000 0.436 165 L N 3.461 124.783 121.223 0.166 0.000 2.051 165 L HA -0.066 4.274 4.340 -0.000 0.000 0.214 165 L C 2.045 179.044 176.870 0.215 0.000 1.076 165 L CA 2.642 57.565 54.840 0.139 0.000 0.758 165 L CB -1.123 40.957 42.059 0.036 0.000 0.890 165 L HN 0.670 nan 8.230 nan 0.000 0.433 166 G N -1.284 107.707 108.800 0.318 0.000 2.446 166 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 166 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 166 G C 1.541 176.548 174.900 0.179 0.000 1.168 166 G CA 1.149 46.459 45.100 0.350 0.000 0.771 166 G HN 0.366 nan 8.290 nan 0.000 0.551 167 V N 0.825 120.836 119.914 0.162 0.000 2.343 167 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 167 V C 2.933 179.105 176.094 0.129 0.000 1.051 167 V CA 1.955 64.324 62.300 0.115 0.000 1.036 167 V CB -0.477 31.402 31.823 0.094 0.000 0.654 167 V HN 0.338 nan 8.190 nan 0.000 0.451 168 R N -0.242 120.344 120.500 0.144 0.000 2.105 168 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 168 R C 2.229 178.593 176.300 0.107 0.000 1.135 168 R CA 1.500 57.679 56.100 0.132 0.000 0.967 168 R CB -0.677 29.695 30.300 0.120 0.000 0.861 168 R HN 0.435 nan 8.270 nan 0.000 0.442 169 V N 0.553 120.525 119.914 0.097 0.000 2.343 169 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 169 V C 2.526 178.660 176.094 0.067 0.000 1.051 169 V CA 1.580 63.912 62.300 0.053 0.000 1.036 169 V CB -0.511 31.334 31.823 0.037 0.000 0.654 169 V HN 0.446 nan 8.190 nan 0.000 0.451 170 C N -0.152 119.228 119.300 0.134 0.000 2.425 170 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 170 C C 2.673 177.838 174.990 0.291 0.000 1.280 170 C CA 0.867 60.050 59.018 0.276 0.000 1.744 170 C CB -0.997 26.941 27.740 0.330 0.000 1.989 170 C HN 0.620 nan 8.230 nan 0.000 0.491 171 E N 0.864 121.184 120.200 0.200 0.000 2.058 171 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 171 E C 2.157 178.874 176.600 0.195 0.000 0.997 171 E CA 1.275 57.800 56.400 0.208 0.000 0.801 171 E CB -0.151 29.680 29.700 0.218 0.000 0.746 171 E HN 0.634 nan 8.360 nan 0.000 0.450 172 K N 0.340 120.829 120.400 0.149 0.000 2.032 172 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 172 K C 2.228 178.895 176.600 0.112 0.000 1.048 172 K CA 1.531 57.893 56.287 0.126 0.000 0.927 172 K CB -0.149 32.353 32.500 0.004 0.000 0.712 172 K HN 0.120 nan 8.250 nan 0.000 0.441 173 M N 0.206 119.839 119.600 0.056 0.000 2.080 173 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 173 M C 2.433 178.798 176.300 0.108 0.000 1.068 173 M CA 1.808 57.089 55.300 -0.031 0.000 1.109 173 M CB -0.369 32.047 32.600 -0.307 0.000 1.342 173 M HN 0.254 nan 8.290 nan 0.000 0.405 174 A N -0.671 122.326 122.820 0.295 0.000 1.970 174 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 174 A C 1.840 179.519 177.584 0.159 0.000 1.170 174 A CA 1.142 53.370 52.037 0.317 0.000 0.645 174 A CB -0.137 19.063 19.000 0.335 0.000 0.816 174 A HN 0.506 nan 8.150 nan 0.000 0.447 175 L N -3.334 117.969 121.223 0.134 0.000 3.174 175 L HA 0.191 4.531 4.340 -0.000 0.000 0.283 175 L C 1.792 178.693 176.870 0.051 0.000 1.187 175 L CA 0.019 54.879 54.840 0.034 0.000 1.018 175 L CB 0.117 42.168 42.059 -0.013 0.000 1.433 175 L HN 0.446 nan 8.230 nan 0.000 0.593 176 Y N 1.447 121.761 120.300 0.023 0.000 2.128 176 Y HA -0.333 4.216 4.550 -0.000 0.000 0.284 176 Y C 2.220 178.149 175.900 0.049 0.000 1.154 176 Y CA 2.324 60.453 58.100 0.048 0.000 1.149 176 Y CB 0.118 38.598 38.460 0.033 0.000 0.976 176 Y HN 0.213 nan 8.280 nan 0.000 0.505 177 D N -0.672 119.771 120.400 0.072 0.000 2.117 177 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 177 D C 2.248 178.490 176.300 -0.096 0.000 0.987 177 D CA 1.477 55.466 54.000 -0.019 0.000 0.829 177 D CB -0.258 40.574 40.800 0.054 0.000 0.961 177 D HN 0.267 nan 8.370 nan 0.000 0.460 178 V N 0.553 120.412 119.914 -0.090 0.000 2.255 178 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 178 V C 2.704 178.689 176.094 -0.182 0.000 1.051 178 V CA 1.921 64.142 62.300 -0.132 0.000 1.018 178 V CB -0.736 30.974 31.823 -0.189 0.000 0.641 178 V HN 0.331 nan 8.190 nan 0.000 0.445 179 V N -2.484 117.302 119.914 -0.213 0.000 2.970 179 V HA -0.080 4.040 4.120 -0.000 0.000 0.260 179 V C 2.040 177.985 176.094 -0.249 0.000 1.100 179 V CA 2.009 64.177 62.300 -0.220 0.000 1.122 179 V CB -0.349 31.366 31.823 -0.179 0.000 0.721 179 V HN 0.462 nan 8.190 nan 0.000 0.483 180 S N 1.159 116.706 115.700 -0.255 0.000 2.425 180 S HA -0.046 4.424 4.470 -0.000 0.000 0.225 180 S C 1.950 176.457 174.600 -0.155 0.000 1.024 180 S CA 1.504 59.577 58.200 -0.211 0.000 0.951 180 S CB -0.022 63.002 63.200 -0.293 0.000 0.796 180 S HN 0.939 nan 8.310 nan 0.000 0.498 181 T N -0.825 113.634 114.554 -0.159 0.000 2.999 181 T HA 0.246 4.596 4.350 -0.000 0.000 0.247 181 T C 1.637 176.237 174.700 -0.167 0.000 1.012 181 T CA -0.049 61.973 62.100 -0.130 0.000 1.048 181 T CB -0.451 68.367 68.868 -0.084 0.000 1.020 181 T HN 0.141 nan 8.240 nan 0.000 0.478 182 L N 2.711 123.829 121.223 -0.175 0.000 2.017 182 L HA 0.229 4.569 4.340 -0.000 0.000 0.208 182 L C -0.963 175.741 176.870 -0.277 0.000 1.073 182 L CA 1.784 56.523 54.840 -0.167 0.000 0.745 182 L CB -1.113 40.893 42.059 -0.087 0.000 0.894 182 L HN 0.103 nan 8.230 nan 0.000 0.432 183 P HA -0.220 nan 4.420 nan 0.000 0.215 183 P C 1.484 178.331 177.300 -0.755 0.000 1.153 183 P CA 1.360 64.022 63.100 -0.731 0.000 0.853 183 P CB -0.187 30.722 31.700 -1.318 0.000 0.788 184 Q N 0.013 119.426 119.800 -0.646 0.000 2.119 184 Q HA -0.102 4.238 4.340 -0.000 0.000 0.201 184 Q C 1.950 177.818 176.000 -0.219 0.000 0.972 184 Q CA 1.460 57.072 55.803 -0.317 0.000 0.847 184 Q CB -0.677 27.980 28.738 -0.135 0.000 0.903 184 Q HN 0.080 nan 8.270 nan 0.000 0.433 185 V N 0.130 119.922 119.914 -0.204 0.000 2.358 185 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 185 V C 2.521 178.523 176.094 -0.153 0.000 1.047 185 V CA 1.439 63.655 62.300 -0.141 0.000 1.035 185 V CB -0.495 31.262 31.823 -0.109 0.000 0.658 185 V HN 0.128 nan 8.190 nan 0.000 0.452 186 V N -0.657 119.130 119.914 -0.210 0.000 2.379 186 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 186 V C 2.054 177.961 176.094 -0.312 0.000 1.044 186 V CA 2.135 64.301 62.300 -0.222 0.000 1.036 186 V CB -0.415 31.268 31.823 -0.234 0.000 0.664 186 V HN 0.472 nan 8.190 nan 0.000 0.453 187 M N -1.192 118.156 119.600 -0.421 0.000 2.382 187 M HA 0.362 4.842 4.480 -0.000 0.000 0.247 187 M C 1.460 177.626 176.300 -0.224 0.000 1.104 187 M CA 0.722 55.682 55.300 -0.567 0.000 1.030 187 M CB 0.440 32.584 32.600 -0.761 0.000 1.424 187 M HN 0.453 nan 8.290 nan 0.000 0.486 188 G N 1.761 110.470 108.800 -0.152 0.000 2.634 188 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.309 188 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.309 188 G C 0.852 175.709 174.900 -0.071 0.000 1.265 188 G CA 0.916 45.973 45.100 -0.071 0.000 0.998 188 G HN 0.534 nan 8.290 nan 0.000 0.551 189 S N -0.683 115.001 115.700 -0.027 0.000 2.507 189 S HA 0.090 4.560 4.470 -0.000 0.000 0.235 189 S C 2.187 176.623 174.600 -0.274 0.000 0.988 189 S CA 1.893 60.028 58.200 -0.108 0.000 0.944 189 S CB -0.051 63.197 63.200 0.080 0.000 0.762 189 S HN 0.958 nan 8.310 nan 0.000 0.526 190 S N 0.254 115.924 115.700 -0.049 0.000 2.489 190 S HA 0.119 4.589 4.470 -0.000 0.000 0.228 190 S C 0.206 174.791 174.600 -0.026 0.000 0.995 190 S CA -0.072 58.150 58.200 0.038 0.000 0.934 190 S CB -0.400 62.961 63.200 0.268 0.000 0.771 190 S HN 0.705 nan 8.310 nan 0.000 0.522 191 Y N 2.888 123.033 120.300 -0.258 0.000 2.584 191 Y HA 0.450 4.999 4.550 -0.000 0.000 0.351 191 Y C 1.255 176.917 175.900 -0.397 0.000 1.030 191 Y CA -1.409 56.517 58.100 -0.290 0.000 1.332 191 Y CB 0.026 38.319 38.460 -0.277 0.000 1.148 191 Y HN 0.055 nan 8.280 nan 0.000 0.528 192 G N 4.443 112.794 108.800 -0.747 0.000 2.443 192 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 192 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 192 G C 1.048 175.407 174.900 -0.901 0.000 1.131 192 G CA 0.242 44.921 45.100 -0.702 0.000 0.775 192 G HN 0.644 nan 8.290 nan 0.000 0.547 193 F N 1.304 120.543 119.950 -1.186 0.000 2.699 193 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 193 F C 2.798 178.368 175.800 -0.383 0.000 1.154 193 F CA 0.856 58.289 58.000 -0.946 0.000 1.457 193 F CB -0.050 38.377 39.000 -0.956 0.000 1.106 193 F HN 0.366 nan 8.300 nan 0.000 0.585 194 Q N -0.690 118.862 119.800 -0.412 0.000 2.472 194 Q HA -0.082 4.258 4.340 -0.000 0.000 0.208 194 Q C -0.635 175.263 176.000 -0.170 0.000 0.958 194 Q CA 0.763 56.423 55.803 -0.237 0.000 0.932 194 Q CB -0.275 28.223 28.738 -0.400 0.000 1.007 194 Q HN 0.285 nan 8.270 nan 0.000 0.508 195 Y N 1.752 122.085 120.300 0.056 0.000 2.360 195 Y HA 0.313 4.863 4.550 -0.000 0.000 0.337 195 Y C 0.544 176.328 175.900 -0.192 0.000 1.039 195 Y CA -1.486 56.582 58.100 -0.052 0.000 1.109 195 Y CB 1.524 39.912 38.460 -0.120 0.000 1.201 195 Y HN 0.098 nan 8.280 nan 0.000 0.458 196 S N 2.726 118.151 115.700 -0.457 0.000 2.596 196 S HA 0.182 4.651 4.470 -0.000 0.000 0.260 196 S C -1.972 172.343 174.600 -0.475 0.000 1.336 196 S CA -0.939 56.548 58.200 -1.187 0.000 0.993 196 S CB 1.039 63.603 63.200 -1.060 0.000 0.923 196 S HN 0.434 nan 8.310 nan 0.000 0.567 197 P HA -0.011 nan 4.420 nan 0.000 0.216 197 P C 1.746 178.980 177.300 -0.110 0.000 1.153 197 P CA 1.749 64.750 63.100 -0.165 0.000 0.858 197 P CB -0.559 31.082 31.700 -0.098 0.000 0.789 198 G N -0.350 108.368 108.800 -0.137 0.000 2.418 198 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 198 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 198 G C 1.534 176.375 174.900 -0.099 0.000 1.158 198 G CA 0.623 45.680 45.100 -0.072 0.000 0.771 198 G HN 0.316 nan 8.290 nan 0.000 0.545 199 Q N -0.579 119.139 119.800 -0.136 0.000 2.167 199 Q HA 0.032 4.372 4.340 -0.000 0.000 0.202 199 Q C 2.597 178.414 176.000 -0.306 0.000 0.970 199 Q CA 0.773 56.497 55.803 -0.131 0.000 0.855 199 Q CB -0.111 28.633 28.738 0.011 0.000 0.911 199 Q HN 0.440 nan 8.270 nan 0.000 0.438 200 R N 0.365 120.724 120.500 -0.236 0.000 2.073 200 R HA -0.139 4.200 4.340 -0.000 0.000 0.234 200 R C 2.115 178.302 176.300 -0.187 0.000 1.134 200 R CA 1.250 57.193 56.100 -0.262 0.000 0.952 200 R CB -0.185 30.071 30.300 -0.073 0.000 0.850 200 R HN 0.101 nan 8.270 nan 0.000 0.433 201 V N 1.480 121.313 119.914 -0.136 0.000 2.287 201 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 201 V C 2.393 178.383 176.094 -0.173 0.000 1.053 201 V CA 2.351 64.570 62.300 -0.136 0.000 1.027 201 V CB -0.637 31.146 31.823 -0.067 0.000 0.646 201 V HN 0.519 nan 8.190 nan 0.000 0.447 202 E N -0.471 119.644 120.200 -0.142 0.000 2.058 202 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 202 E C 2.132 178.647 176.600 -0.141 0.000 0.997 202 E CA 1.804 58.129 56.400 -0.125 0.000 0.801 202 E CB -0.251 29.402 29.700 -0.078 0.000 0.746 202 E HN 0.553 nan 8.360 nan 0.000 0.450 203 F N 1.141 120.878 119.950 -0.354 0.000 2.134 203 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 203 F C 1.921 177.584 175.800 -0.228 0.000 1.097 203 F CA 1.287 59.079 58.000 -0.347 0.000 1.264 203 F CB -0.167 38.445 39.000 -0.647 0.000 1.001 203 F HN 0.014 nan 8.300 nan 0.000 0.479 204 L N -0.907 120.161 121.223 -0.258 0.000 2.027 204 L HA -0.209 4.131 4.340 -0.000 0.000 0.206 204 L C 2.380 179.079 176.870 -0.285 0.000 1.074 204 L CA 1.019 55.688 54.840 -0.285 0.000 0.745 204 L CB -0.797 41.138 42.059 -0.207 0.000 0.898 204 L HN -0.014 nan 8.230 nan 0.000 0.433 205 V N 0.067 119.791 119.914 -0.317 0.000 2.295 205 V HA -0.263 3.856 4.120 -0.000 0.000 0.246 205 V C 2.219 178.198 176.094 -0.191 0.000 1.049 205 V CA 1.830 63.926 62.300 -0.340 0.000 1.024 205 V CB -0.669 30.812 31.823 -0.569 0.000 0.648 205 V HN 0.480 nan 8.190 nan 0.000 0.447 206 N N 0.071 118.647 118.700 -0.207 0.000 2.166 206 N HA -0.138 4.601 4.740 -0.000 0.000 0.186 206 N C 1.906 177.298 175.510 -0.196 0.000 1.019 206 N CA 1.942 54.894 53.050 -0.163 0.000 0.856 206 N CB -0.651 37.754 38.487 -0.138 0.000 0.993 206 N HN 0.457 nan 8.380 nan 0.000 0.426 207 T N 0.524 114.873 114.554 -0.342 0.000 2.708 207 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 207 T C 1.504 176.121 174.700 -0.138 0.000 1.037 207 T CA 0.649 62.543 62.100 -0.344 0.000 1.146 207 T CB -0.243 68.256 68.868 -0.615 0.000 0.865 207 T HN 0.417 nan 8.240 nan 0.000 0.435 208 W N 2.201 123.337 121.300 -0.274 0.000 2.335 208 W HA -0.129 4.531 4.660 -0.000 0.000 0.311 208 W C 1.937 178.372 176.519 -0.141 0.000 1.213 208 W CA 1.293 58.523 57.345 -0.192 0.000 1.274 208 W CB -0.168 29.175 29.460 -0.196 0.000 1.148 208 W HN 0.263 nan 8.180 nan 0.000 0.498 209 K N 0.183 120.599 120.400 0.027 0.000 2.283 209 K HA -0.139 4.181 4.320 -0.000 0.000 0.202 209 K C 2.075 178.622 176.600 -0.089 0.000 1.048 209 K CA 1.594 57.863 56.287 -0.031 0.000 0.948 209 K CB -0.324 32.176 32.500 -0.001 0.000 0.742 209 K HN 0.057 nan 8.250 nan 0.000 0.458 210 S N 0.524 116.158 115.700 -0.110 0.000 2.515 210 S HA -0.001 4.469 4.470 -0.000 0.000 0.231 210 S C 0.452 174.974 174.600 -0.130 0.000 0.987 210 S CA 0.305 58.442 58.200 -0.106 0.000 0.936 210 S CB 0.057 63.194 63.200 -0.105 0.000 0.766 210 S HN -0.034 nan 8.310 nan 0.000 0.528 211 K N 1.629 121.912 120.400 -0.195 0.000 2.138 211 K HA 0.344 4.664 4.320 -0.000 0.000 0.263 211 K C 0.596 177.074 176.600 -0.204 0.000 0.965 211 K CA -0.528 55.628 56.287 -0.220 0.000 0.868 211 K CB 1.653 33.956 32.500 -0.330 0.000 1.083 211 K HN 0.101 nan 8.250 nan 0.000 0.443 212 K N 1.577 121.889 120.400 -0.147 0.000 2.025 212 K HA -0.043 4.276 4.320 -0.000 0.000 0.207 212 K C -0.145 176.377 176.600 -0.131 0.000 1.049 212 K CA 1.166 57.385 56.287 -0.114 0.000 0.933 212 K CB 0.294 32.747 32.500 -0.077 0.000 0.714 212 K HN 0.429 nan 8.250 nan 0.000 0.438 213 N N 1.838 120.449 118.700 -0.148 0.000 2.804 213 N HA 0.241 4.981 4.740 -0.000 0.000 0.251 213 N C -2.810 172.572 175.510 -0.214 0.000 1.250 213 N CA -1.188 51.779 53.050 -0.137 0.000 0.820 213 N CB 1.825 40.269 38.487 -0.072 0.000 1.156 213 N HN 0.161 nan 8.380 nan 0.000 0.512 214 P HA 0.186 nan 4.420 nan 0.000 0.275 214 P C -0.259 176.686 177.300 -0.592 0.000 1.227 214 P CA -0.320 62.298 63.100 -0.803 0.000 0.781 214 P CB 1.314 31.923 31.700 -1.817 0.000 0.906 215 M N 2.020 121.347 119.600 -0.455 0.000 2.433 215 M HA 0.659 5.139 4.480 -0.000 0.000 0.290 215 M C -1.278 174.980 176.300 -0.069 0.000 1.173 215 M CA -0.316 54.849 55.300 -0.225 0.000 0.905 215 M CB 2.505 35.034 32.600 -0.118 0.000 1.692 215 M HN 0.581 nan 8.290 nan 0.000 0.462 216 G N 3.439 112.317 108.800 0.129 0.000 2.660 216 G HA2 0.840 4.800 3.960 -0.000 0.000 0.294 216 G HA3 0.840 4.800 3.960 -0.000 0.000 0.294 216 G C -2.045 172.944 174.900 0.148 0.000 1.369 216 G CA -0.634 44.560 45.100 0.156 0.000 0.912 216 G HN 0.820 nan 8.290 nan 0.000 0.479 217 F N -0.440 119.476 119.950 -0.056 0.000 2.641 217 F HA 0.762 5.289 4.527 -0.000 0.000 0.308 217 F C -0.195 175.589 175.800 -0.028 0.000 1.105 217 F CA -1.435 56.527 58.000 -0.064 0.000 0.964 217 F CB 1.385 40.329 39.000 -0.094 0.000 1.294 217 F HN 0.618 nan 8.300 nan 0.000 0.442 218 S N 1.499 117.287 115.700 0.146 0.000 2.554 218 S HA 0.564 5.034 4.470 -0.000 0.000 0.278 218 S C -1.405 173.387 174.600 0.321 0.000 1.242 218 S CA -0.517 57.752 58.200 0.115 0.000 1.051 218 S CB 1.333 64.570 63.200 0.062 0.000 0.986 218 S HN 0.829 nan 8.310 nan 0.000 0.502 219 Y N 1.619 122.032 120.300 0.188 0.000 2.328 219 Y HA 0.436 4.985 4.550 -0.000 0.000 0.333 219 Y C -0.862 175.163 175.900 0.207 0.000 0.958 219 Y CA -0.909 57.362 58.100 0.286 0.000 1.167 219 Y CB 1.281 40.004 38.460 0.439 0.000 1.151 219 Y HN 0.842 nan 8.280 nan 0.000 0.470 220 D N 4.356 124.584 120.400 -0.287 0.000 2.359 220 D HA 0.225 4.865 4.640 -0.000 0.000 0.230 220 D C -0.711 175.411 176.300 -0.297 0.000 1.118 220 D CA -0.060 53.840 54.000 -0.168 0.000 0.844 220 D CB 1.009 41.746 40.800 -0.106 0.000 1.059 220 D HN 0.487 nan 8.370 nan 0.000 0.493 221 T N 3.627 118.203 114.554 0.036 0.000 2.869 221 T HA 0.182 4.532 4.350 -0.000 0.000 0.295 221 T C 0.627 175.411 174.700 0.141 0.000 0.987 221 T CA -0.471 61.742 62.100 0.187 0.000 1.109 221 T CB 1.041 70.242 68.868 0.556 0.000 0.932 221 T HN 0.347 nan 8.240 nan 0.000 0.518 225 D N 0.723 121.380 120.400 0.427 0.000 2.116 225 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 225 D C 2.072 178.450 176.300 0.130 0.000 0.998 225 D CA 2.143 56.317 54.000 0.289 0.000 0.836 225 D CB -0.361 40.602 40.800 0.272 0.000 0.951 225 D HN 0.282 nan 8.370 nan 0.000 0.449 226 S N -0.566 115.224 115.700 0.150 0.000 2.447 226 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 226 S C 2.007 176.561 174.600 -0.077 0.000 1.006 226 S CA 1.387 59.575 58.200 -0.021 0.000 0.957 226 S CB -0.246 62.925 63.200 -0.049 0.000 0.773 226 S HN 0.533 nan 8.310 nan 0.000 0.507 227 T N -0.460 114.143 114.554 0.081 0.000 3.088 227 T HA 0.130 4.480 4.350 -0.000 0.000 0.259 227 T C 0.586 175.223 174.700 -0.105 0.000 1.122 227 T CA 0.021 62.161 62.100 0.067 0.000 1.095 227 T CB -0.393 68.475 68.868 -0.001 0.000 0.930 227 T HN 0.035 nan 8.240 nan 0.000 0.508 228 V N 4.028 123.847 119.914 -0.158 0.000 2.479 228 V HA 0.318 4.438 4.120 -0.000 0.000 0.281 228 V C 1.131 177.177 176.094 -0.079 0.000 1.031 228 V CA -0.297 61.926 62.300 -0.129 0.000 1.038 228 V CB 0.178 31.967 31.823 -0.056 0.000 0.981 228 V HN 0.714 nan 8.190 nan 0.000 0.478 229 T N 0.854 115.374 114.554 -0.056 0.000 2.881 229 T HA 0.306 4.656 4.350 -0.000 0.000 0.278 229 T C 1.059 175.741 174.700 -0.029 0.000 0.982 229 T CA -0.303 61.769 62.100 -0.047 0.000 0.989 229 T CB 1.479 70.325 68.868 -0.037 0.000 1.058 229 T HN 0.688 nan 8.240 nan 0.000 0.529 230 E N 0.559 120.743 120.200 -0.028 0.000 2.058 230 E HA -0.293 4.057 4.350 -0.000 0.000 0.194 230 E C 1.968 178.567 176.600 -0.002 0.000 0.997 230 E CA 1.751 58.146 56.400 -0.010 0.000 0.801 230 E CB -0.261 29.433 29.700 -0.010 0.000 0.746 230 E HN 0.783 nan 8.360 nan 0.000 0.450 231 N N 0.645 119.340 118.700 -0.009 0.000 2.061 231 N HA -0.218 4.522 4.740 -0.000 0.000 0.193 231 N C 1.468 176.989 175.510 0.017 0.000 1.030 231 N CA 2.223 55.272 53.050 -0.003 0.000 0.856 231 N CB -0.170 38.303 38.487 -0.024 0.000 1.023 231 N HN 0.150 nan 8.380 nan 0.000 0.424 232 D N -0.088 120.322 120.400 0.017 0.000 2.123 232 D HA -0.125 4.515 4.640 -0.000 0.000 0.196 232 D C 1.957 178.267 176.300 0.017 0.000 0.992 232 D CA 1.047 55.069 54.000 0.038 0.000 0.833 232 D CB -0.250 40.566 40.800 0.028 0.000 0.954 232 D HN 0.476 nan 8.370 nan 0.000 0.455 233 I N 0.425 121.005 120.570 0.016 0.000 2.353 233 I HA -0.147 4.023 4.170 -0.000 0.000 0.248 233 I C 2.452 178.574 176.117 0.008 0.000 1.119 233 I CA 0.708 62.022 61.300 0.024 0.000 1.417 233 I CB -0.021 38.016 38.000 0.061 0.000 1.078 233 I HN -0.123 nan 8.210 nan 0.000 0.421 234 R N 0.097 120.603 120.500 0.010 0.000 2.092 234 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 234 R C 2.326 178.604 176.300 -0.037 0.000 1.119 234 R CA 1.049 57.149 56.100 -0.000 0.000 0.970 234 R CB -0.421 29.884 30.300 0.008 0.000 0.864 234 R HN 0.200 nan 8.270 nan 0.000 0.440 235 V N 1.485 121.381 119.914 -0.030 0.000 2.343 235 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 235 V C 1.945 177.946 176.094 -0.155 0.000 1.051 235 V CA 1.826 64.097 62.300 -0.049 0.000 1.036 235 V CB -0.396 31.441 31.823 0.023 0.000 0.654 235 V HN 0.347 nan 8.190 nan 0.000 0.451 236 E N -0.327 119.748 120.200 -0.208 0.000 2.058 236 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 236 E C 2.344 178.429 176.600 -0.858 0.000 0.997 236 E CA 1.453 57.567 56.400 -0.477 0.000 0.801 236 E CB -0.180 29.298 29.700 -0.371 0.000 0.746 236 E HN 0.612 nan 8.360 nan 0.000 0.450 237 E N 0.546 120.475 120.200 -0.452 0.000 2.077 237 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 237 E C 2.166 178.676 176.600 -0.151 0.000 0.989 237 E CA 1.533 57.797 56.400 -0.226 0.000 0.800 237 E CB 0.006 29.727 29.700 0.036 0.000 0.746 237 E HN 0.237 nan 8.360 nan 0.000 0.452 238 S N 0.306 115.927 115.700 -0.131 0.000 2.399 238 S HA -0.150 4.320 4.470 -0.000 0.000 0.231 238 S C 2.059 176.608 174.600 -0.085 0.000 1.022 238 S CA 1.019 59.176 58.200 -0.072 0.000 0.983 238 S CB -0.527 62.641 63.200 -0.053 0.000 0.803 238 S HN 0.286 nan 8.310 nan 0.000 0.480 239 I N 0.123 120.588 120.570 -0.175 0.000 2.202 239 I HA -0.118 4.052 4.170 -0.000 0.000 0.242 239 I C 2.328 178.434 176.117 -0.019 0.000 1.091 239 I CA 1.225 62.444 61.300 -0.134 0.000 1.368 239 I CB -0.510 37.376 38.000 -0.190 0.000 1.058 239 I HN 0.207 nan 8.210 nan 0.000 0.410 240 Y N 1.041 121.334 120.300 -0.011 0.000 2.165 240 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 240 Y C 2.650 178.552 175.900 0.003 0.000 1.155 240 Y CA 0.762 58.859 58.100 -0.005 0.000 1.164 240 Y CB -1.105 37.365 38.460 0.017 0.000 0.978 240 Y HN 0.248 nan 8.280 nan 0.000 0.513 241 Q N -1.257 118.635 119.800 0.153 0.000 2.369 241 Q HA -0.106 4.233 4.340 -0.000 0.000 0.206 241 Q C 2.335 178.368 176.000 0.054 0.000 0.963 241 Q CA 0.863 56.721 55.803 0.092 0.000 0.894 241 Q CB -0.785 27.991 28.738 0.063 0.000 0.965 241 Q HN 0.517 nan 8.270 nan 0.000 0.475 242 C N 0.243 119.568 119.300 0.041 0.000 2.432 242 C HA -0.047 4.413 4.460 -0.000 0.000 0.282 242 C C 1.586 176.591 174.990 0.025 0.000 1.388 242 C CA -0.654 58.377 59.018 0.022 0.000 1.777 242 C CB -0.734 27.008 27.740 0.004 0.000 1.882 242 C HN 0.405 nan 8.230 nan 0.000 0.520 243 C N 1.792 121.117 119.300 0.041 0.000 2.700 243 C HA 0.127 4.587 4.460 -0.000 0.000 0.397 243 C C 0.548 175.556 174.990 0.029 0.000 1.301 243 C CA -0.191 58.846 59.018 0.032 0.000 2.219 243 C CB -0.287 27.477 27.740 0.041 0.000 2.699 243 C HN 0.509 nan 8.230 nan 0.000 0.669 244 D N 1.830 122.242 120.400 0.021 0.000 2.344 244 D HA 0.437 5.077 4.640 -0.000 0.000 0.253 244 D C -0.600 175.717 176.300 0.028 0.000 1.255 244 D CA 0.377 54.389 54.000 0.021 0.000 0.894 244 D CB -0.087 40.721 40.800 0.014 0.000 1.067 244 D HN 0.370 nan 8.370 nan 0.000 0.492 245 L N 2.159 123.403 121.223 0.035 0.000 2.354 245 L HA 0.696 5.035 4.340 -0.000 0.000 0.264 245 L C 0.386 177.285 176.870 0.048 0.000 1.008 245 L CA -1.571 53.296 54.840 0.045 0.000 0.819 245 L CB 1.805 43.898 42.059 0.057 0.000 1.339 245 L HN 0.320 nan 8.230 nan 0.000 0.420 246 A N 1.809 124.663 122.820 0.058 0.000 2.445 246 A HA 0.352 4.672 4.320 -0.000 0.000 0.242 246 A C -1.784 175.843 177.584 0.071 0.000 1.075 246 A CA -0.854 51.221 52.037 0.063 0.000 0.777 246 A CB -0.124 18.921 19.000 0.074 0.000 1.013 246 A HN 0.636 nan 8.150 nan 0.000 0.493 247 P HA -0.181 nan 4.420 nan 0.000 0.216 247 P C 1.085 178.426 177.300 0.067 0.000 1.153 247 P CA 1.607 64.739 63.100 0.054 0.000 0.858 247 P CB 0.177 31.904 31.700 0.045 0.000 0.789 248 E N -0.981 119.286 120.200 0.112 0.000 2.204 248 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 248 E C 1.994 178.705 176.600 0.184 0.000 0.989 248 E CA 0.882 57.380 56.400 0.164 0.000 0.824 248 E CB -0.328 29.558 29.700 0.310 0.000 0.756 248 E HN 0.161 nan 8.360 nan 0.000 0.477 249 A N 1.410 124.347 122.820 0.195 0.000 1.872 249 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 249 A C 2.033 179.669 177.584 0.086 0.000 1.187 249 A CA 0.915 53.063 52.037 0.184 0.000 0.614 249 A CB -0.265 18.829 19.000 0.157 0.000 0.826 249 A HN 0.072 nan 8.150 nan 0.000 0.442 250 R N -0.931 119.608 120.500 0.065 0.000 2.091 250 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 250 R C 2.477 178.783 176.300 0.009 0.000 1.136 250 R CA 1.803 57.929 56.100 0.044 0.000 0.959 250 R CB -0.304 30.020 30.300 0.039 0.000 0.856 250 R HN 0.657 nan 8.270 nan 0.000 0.437 251 Q N 0.638 120.424 119.800 -0.023 0.000 2.079 251 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 251 Q C 1.938 177.849 176.000 -0.149 0.000 0.974 251 Q CA 1.875 57.632 55.803 -0.076 0.000 0.840 251 Q CB -0.183 28.503 28.738 -0.088 0.000 0.898 251 Q HN 0.325 nan 8.270 nan 0.000 0.430 252 A N 0.153 122.840 122.820 -0.222 0.000 1.933 252 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 252 A C 2.112 179.597 177.584 -0.165 0.000 1.175 252 A CA 1.433 53.254 52.037 -0.361 0.000 0.628 252 A CB -0.695 17.929 19.000 -0.626 0.000 0.814 252 A HN 0.481 nan 8.150 nan 0.000 0.444 253 I N -0.495 120.052 120.570 -0.038 0.000 2.202 253 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 253 I C 2.540 178.693 176.117 0.060 0.000 1.091 253 I CA 1.796 63.133 61.300 0.062 0.000 1.368 253 I CB -0.240 37.834 38.000 0.123 0.000 1.058 253 I HN 0.387 nan 8.210 nan 0.000 0.410 254 K N 0.568 120.981 120.400 0.021 0.000 2.032 254 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 254 K C 2.351 178.928 176.600 -0.039 0.000 1.048 254 K CA 2.018 58.310 56.287 0.009 0.000 0.927 254 K CB -0.146 32.350 32.500 -0.008 0.000 0.712 254 K HN 0.131 nan 8.250 nan 0.000 0.441 255 S N 0.636 116.279 115.700 -0.095 0.000 2.356 255 S HA -0.076 4.394 4.470 -0.000 0.000 0.223 255 S C 1.976 176.473 174.600 -0.172 0.000 1.032 255 S CA 1.102 59.221 58.200 -0.135 0.000 1.005 255 S CB -0.231 62.855 63.200 -0.190 0.000 0.867 255 S HN 0.354 nan 8.310 nan 0.000 0.449 256 L N 0.711 121.800 121.223 -0.223 0.000 2.083 256 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 256 L C 2.731 179.285 176.870 -0.526 0.000 1.083 256 L CA 1.482 56.064 54.840 -0.431 0.000 0.752 256 L CB -0.911 40.854 42.059 -0.489 0.000 0.899 256 L HN 0.334 nan 8.230 nan 0.000 0.433 257 T N -0.997 113.457 114.554 -0.166 0.000 2.708 257 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 257 T C 1.784 176.485 174.700 0.002 0.000 1.037 257 T CA 1.172 63.311 62.100 0.065 0.000 1.146 257 T CB -0.077 68.899 68.868 0.180 0.000 0.865 257 T HN 0.305 nan 8.240 nan 0.000 0.435 258 E N 1.042 121.221 120.200 -0.035 0.000 2.107 258 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 258 E C 2.332 178.907 176.600 -0.041 0.000 0.982 258 E CA 0.908 57.293 56.400 -0.025 0.000 0.809 258 E CB -0.091 29.591 29.700 -0.030 0.000 0.756 258 E HN 0.457 nan 8.360 nan 0.000 0.459 259 R N -0.576 119.869 120.500 -0.091 0.000 2.237 259 R HA 0.124 4.463 4.340 -0.000 0.000 0.195 259 R C 1.832 178.066 176.300 -0.110 0.000 0.956 259 R CA 0.213 56.261 56.100 -0.088 0.000 1.029 259 R CB 0.301 30.540 30.300 -0.102 0.000 0.972 259 R HN 0.035 nan 8.270 nan 0.000 0.493 260 L N -2.008 119.107 121.223 -0.181 0.000 2.666 260 L HA 0.197 4.537 4.340 -0.000 0.000 0.184 260 L C 1.296 178.143 176.870 -0.038 0.000 1.092 260 L CA 0.868 55.602 54.840 -0.176 0.000 0.857 260 L CB -0.294 41.572 42.059 -0.322 0.000 1.281 260 L HN -0.123 nan 8.230 nan 0.000 0.489 261 Y N 0.399 120.710 120.300 0.018 0.000 2.200 261 Y HA -0.041 4.509 4.550 -0.000 0.000 0.290 261 Y C 2.555 178.459 175.900 0.006 0.000 1.137 261 Y CA 1.393 59.512 58.100 0.032 0.000 1.163 261 Y CB -0.885 37.620 38.460 0.073 0.000 0.988 261 Y HN 0.127 nan 8.280 nan 0.000 0.518 262 I N -0.989 119.663 120.570 0.136 0.000 2.394 262 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 262 I C 1.218 177.341 176.117 0.009 0.000 1.136 262 I CA 1.340 62.679 61.300 0.064 0.000 1.425 262 I CB -0.349 37.680 38.000 0.048 0.000 1.079 262 I HN 0.294 nan 8.210 nan 0.000 0.425 263 G N -1.066 107.718 108.800 -0.027 0.000 2.320 263 G HA2 0.486 4.446 3.960 -0.000 0.000 0.297 263 G HA3 0.486 4.446 3.960 -0.000 0.000 0.297 263 G C -1.013 173.725 174.900 -0.271 0.000 1.344 263 G CA -0.161 44.853 45.100 -0.143 0.000 0.851 263 G HN 0.414 nan 8.290 nan 0.000 0.567 264 G N -0.945 107.408 108.800 -0.744 0.000 2.321 264 G HA2 0.696 4.656 3.960 -0.000 0.000 0.298 264 G HA3 0.696 4.656 3.960 -0.000 0.000 0.298 264 G C -3.480 170.755 174.900 -1.108 0.000 1.385 264 G CA 0.083 44.685 45.100 -0.831 0.000 0.856 264 G HN 0.779 nan 8.290 nan 0.000 0.584 265 P HA 0.483 nan 4.420 nan 0.000 0.275 265 P C -0.560 176.641 177.300 -0.165 0.000 1.228 265 P CA -0.202 62.766 63.100 -0.221 0.000 0.786 265 P CB 1.212 32.922 31.700 0.016 0.000 0.927 266 L N 2.139 123.314 121.223 -0.080 0.000 2.313 266 L HA 0.461 4.801 4.340 -0.000 0.000 0.283 266 L C 0.417 177.290 176.870 0.005 0.000 1.013 266 L CA -0.228 54.593 54.840 -0.031 0.000 0.816 266 L CB 1.630 43.711 42.059 0.037 0.000 1.236 266 L HN 0.270 nan 8.230 nan 0.000 0.419 267 T N 1.356 115.890 114.554 -0.033 0.000 2.807 267 T HA 0.333 4.683 4.350 -0.000 0.000 0.279 267 T C -0.174 174.505 174.700 -0.035 0.000 0.993 267 T CA -0.856 61.228 62.100 -0.026 0.000 0.970 267 T CB 1.473 70.312 68.868 -0.049 0.000 0.950 267 T HN 0.642 nan 8.240 nan 0.000 0.441 268 N N 0.780 119.477 118.700 -0.004 0.000 2.327 268 N HA 0.109 4.849 4.740 -0.000 0.000 0.257 268 N C 1.417 176.918 175.510 -0.016 0.000 1.281 268 N CA -0.308 52.740 53.050 -0.003 0.000 0.942 268 N CB 0.132 38.628 38.487 0.015 0.000 1.199 268 N HN 0.461 nan 8.380 nan 0.000 0.532 269 S N -1.315 114.384 115.700 -0.001 0.000 2.474 269 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 269 S C 0.949 175.547 174.600 -0.004 0.000 0.997 269 S CA 0.615 58.817 58.200 0.004 0.000 0.949 269 S CB -0.427 62.788 63.200 0.025 0.000 0.766 269 S HN 0.625 nan 8.310 nan 0.000 0.517 270 K N 0.630 121.028 120.400 -0.003 0.000 2.404 270 K HA 0.275 4.595 4.320 -0.000 0.000 0.194 270 K C 1.172 177.766 176.600 -0.010 0.000 1.023 270 K CA 0.334 56.618 56.287 -0.005 0.000 1.094 270 K CB -0.106 32.395 32.500 0.001 0.000 0.841 270 K HN 0.526 nan 8.250 nan 0.000 0.523 271 G N 1.825 110.615 108.800 -0.017 0.000 2.148 271 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 271 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 271 G C -0.258 174.637 174.900 -0.008 0.000 0.981 271 G CA 0.055 45.142 45.100 -0.022 0.000 0.670 271 G HN 0.370 nan 8.290 nan 0.000 0.528 272 Q N -0.076 119.726 119.800 0.002 0.000 2.230 272 Q HA 0.343 4.683 4.340 -0.000 0.000 0.248 272 Q C 0.380 176.396 176.000 0.027 0.000 0.915 272 Q CA -0.582 55.231 55.803 0.016 0.000 0.900 272 Q CB 1.031 29.781 28.738 0.021 0.000 1.229 272 Q HN 0.404 nan 8.270 nan 0.000 0.439 273 N N 1.471 120.194 118.700 0.038 0.000 2.431 273 N HA 0.012 4.752 4.740 -0.000 0.000 0.265 273 N C -0.196 175.367 175.510 0.087 0.000 1.184 273 N CA -0.388 52.695 53.050 0.055 0.000 0.943 273 N CB 0.522 39.043 38.487 0.056 0.000 1.080 273 N HN 0.598 nan 8.380 nan 0.000 0.477 274 C N 2.923 122.292 119.300 0.115 0.000 2.590 274 C HA 0.400 4.860 4.460 -0.000 0.000 0.272 274 C C 1.231 176.390 174.990 0.282 0.000 1.338 274 C CA 0.575 59.715 59.018 0.203 0.000 1.746 274 C CB -0.975 26.906 27.740 0.235 0.000 2.020 274 C HN 0.972 nan 8.230 nan 0.000 0.531 275 G N -1.609 107.288 108.800 0.161 0.000 2.373 275 G HA2 0.294 4.254 3.960 -0.000 0.000 0.250 275 G HA3 0.294 4.254 3.960 -0.000 0.000 0.250 275 G C -2.119 172.812 174.900 0.052 0.000 1.304 275 G CA -0.378 44.770 45.100 0.079 0.000 0.948 275 G HN 0.043 nan 8.290 nan 0.000 0.474 276 Y N 0.569 120.750 120.300 -0.199 0.000 2.470 276 Y HA 0.750 5.300 4.550 -0.000 0.000 0.341 276 Y C -0.072 175.688 175.900 -0.232 0.000 1.021 276 Y CA -0.856 57.146 58.100 -0.164 0.000 1.025 276 Y CB 2.018 40.396 38.460 -0.136 0.000 1.266 276 Y HN 0.706 nan 8.280 nan 0.000 0.448 277 R N 4.698 124.927 120.500 -0.450 0.000 2.460 277 R HA 0.562 4.902 4.340 -0.000 0.000 0.303 277 R C -0.790 175.302 176.300 -0.347 0.000 0.968 277 R CA -0.605 55.218 56.100 -0.462 0.000 0.889 277 R CB 0.980 31.072 30.300 -0.347 0.000 1.123 277 R HN 0.923 nan 8.270 nan 0.000 0.455 278 R N 3.145 123.424 120.500 -0.370 0.000 2.690 278 R HA 0.216 4.556 4.340 -0.000 0.000 0.419 278 R C -0.564 175.590 176.300 -0.243 0.000 1.090 278 R CA -0.323 55.659 56.100 -0.198 0.000 1.064 278 R CB 0.433 30.667 30.300 -0.110 0.000 1.391 278 R HN 0.780 nan 8.270 nan 0.000 0.586 279 C N -1.942 117.168 119.300 -0.317 0.000 3.308 279 C HA 0.618 5.078 4.460 -0.000 0.000 0.360 279 C C -0.197 174.726 174.990 -0.111 0.000 1.695 279 C CA -1.549 57.333 59.018 -0.227 0.000 1.366 279 C CB 1.153 28.700 27.740 -0.321 0.000 2.121 279 C HN 0.355 nan 8.230 nan 0.000 0.442 280 R N 1.252 121.738 120.500 -0.024 0.000 2.538 280 R HA 0.448 4.788 4.340 -0.000 0.000 0.282 280 R C 0.108 176.460 176.300 0.086 0.000 1.009 280 R CA 0.982 57.118 56.100 0.060 0.000 1.063 280 R CB -0.182 30.194 30.300 0.127 0.000 0.945 280 R HN 1.192 nan 8.270 nan 0.000 0.414 281 A N 3.748 126.633 122.820 0.108 0.000 2.409 281 A HA 0.212 4.531 4.320 -0.000 0.000 0.267 281 A C 0.990 178.670 177.584 0.161 0.000 1.127 281 A CA 0.113 52.236 52.037 0.143 0.000 0.795 281 A CB 0.345 19.440 19.000 0.159 0.000 1.061 281 A HN 1.012 nan 8.150 nan 0.000 0.502 282 S N 2.103 117.912 115.700 0.183 0.000 2.489 282 S HA 0.080 4.550 4.470 -0.000 0.000 0.228 282 S C 1.060 175.759 174.600 0.165 0.000 0.995 282 S CA 0.715 59.020 58.200 0.175 0.000 0.934 282 S CB 0.094 63.405 63.200 0.185 0.000 0.771 282 S HN 1.251 nan 8.310 nan 0.000 0.522 283 G N 1.879 110.798 108.800 0.198 0.000 4.644 283 G HA2 0.528 4.488 3.960 -0.000 0.000 0.307 283 G HA3 0.528 4.488 3.960 -0.000 0.000 0.307 283 G C -0.194 174.831 174.900 0.210 0.000 1.331 283 G CA -0.148 45.073 45.100 0.203 0.000 1.059 283 G HN 0.552 nan 8.290 nan 0.000 0.590 284 V N -2.364 117.657 119.914 0.177 0.000 3.046 284 V HA 0.595 4.714 4.120 -0.000 0.000 0.316 284 V C 1.375 177.546 176.094 0.128 0.000 1.104 284 V CA -0.951 61.468 62.300 0.198 0.000 1.006 284 V CB 1.707 33.712 31.823 0.303 0.000 1.058 284 V HN 0.083 nan 8.190 nan 0.000 0.440 285 L N 2.234 123.546 121.223 0.149 0.000 2.079 285 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 285 L C 2.306 179.187 176.870 0.017 0.000 1.081 285 L CA 3.078 57.985 54.840 0.112 0.000 0.752 285 L CB -0.653 41.498 42.059 0.153 0.000 0.896 285 L HN 1.094 nan 8.230 nan 0.000 0.433 286 T N -5.919 108.569 114.554 -0.112 0.000 3.129 286 T HA 0.007 4.357 4.350 -0.000 0.000 0.251 286 T C 1.557 176.192 174.700 -0.108 0.000 1.117 286 T CA 0.699 62.676 62.100 -0.203 0.000 1.034 286 T CB -0.689 67.872 68.868 -0.511 0.000 0.968 286 T HN 0.278 nan 8.240 nan 0.000 0.526 287 T N 1.981 116.510 114.554 -0.043 0.000 2.652 287 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 287 T C 2.204 176.923 174.700 0.031 0.000 1.039 287 T CA 1.794 63.907 62.100 0.022 0.000 1.153 287 T CB -0.648 68.259 68.868 0.064 0.000 0.863 287 T HN 0.536 nan 8.240 nan 0.000 0.428 288 S N -0.283 115.410 115.700 -0.010 0.000 2.355 288 S HA -0.140 4.330 4.470 -0.000 0.000 0.222 288 S C 2.446 177.059 174.600 0.021 0.000 1.031 288 S CA 1.349 59.533 58.200 -0.027 0.000 0.993 288 S CB -0.927 62.151 63.200 -0.202 0.000 0.859 288 S HN 0.671 nan 8.310 nan 0.000 0.453 289 C N 1.303 120.590 119.300 -0.022 0.000 2.432 289 C HA 0.115 4.575 4.460 -0.000 0.000 0.277 289 C C 2.822 177.858 174.990 0.076 0.000 1.249 289 C CA 1.088 60.112 59.018 0.010 0.000 1.725 289 C CB -1.801 25.912 27.740 -0.046 0.000 2.028 289 C HN 0.705 nan 8.230 nan 0.000 0.477 290 G N 0.646 109.499 108.800 0.089 0.000 2.459 290 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 290 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 290 G C 1.508 176.497 174.900 0.148 0.000 1.183 290 G CA 1.171 46.337 45.100 0.110 0.000 0.776 290 G HN 0.589 nan 8.290 nan 0.000 0.552 291 N N 0.391 119.185 118.700 0.156 0.000 2.104 291 N HA -0.084 4.655 4.740 -0.000 0.000 0.190 291 N C 2.415 177.969 175.510 0.073 0.000 1.024 291 N CA 1.681 54.833 53.050 0.171 0.000 0.853 291 N CB -0.771 37.728 38.487 0.019 0.000 1.008 291 N HN 0.277 nan 8.380 nan 0.000 0.424 292 T N 1.674 116.284 114.554 0.092 0.000 2.708 292 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 292 T C 2.153 176.938 174.700 0.141 0.000 1.037 292 T CA 0.696 62.870 62.100 0.123 0.000 1.146 292 T CB -0.342 68.674 68.868 0.247 0.000 0.865 292 T HN 0.124 nan 8.240 nan 0.000 0.435 293 L N 0.662 121.947 121.223 0.103 0.000 2.012 293 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 293 L C 2.951 179.918 176.870 0.160 0.000 1.073 293 L CA 1.305 56.194 54.840 0.083 0.000 0.748 293 L CB -1.041 41.026 42.059 0.012 0.000 0.891 293 L HN 0.288 nan 8.230 nan 0.000 0.431 294 T N -1.466 113.202 114.554 0.191 0.000 2.777 294 T HA -0.217 4.133 4.350 -0.000 0.000 0.266 294 T C 2.018 176.921 174.700 0.338 0.000 1.040 294 T CA 1.389 63.636 62.100 0.244 0.000 1.141 294 T CB -0.430 68.612 68.868 0.289 0.000 0.868 294 T HN 0.457 nan 8.240 nan 0.000 0.444 295 C N 0.699 120.251 119.300 0.420 0.000 2.432 295 C HA -0.106 4.354 4.460 -0.000 0.000 0.277 295 C C 2.383 177.522 174.990 0.248 0.000 1.249 295 C CA 0.606 59.847 59.018 0.371 0.000 1.725 295 C CB -1.399 26.405 27.740 0.107 0.000 2.028 295 C HN 0.654 nan 8.230 nan 0.000 0.477 296 Y N 1.040 121.397 120.300 0.095 0.000 2.128 296 Y HA -0.145 4.405 4.550 -0.000 0.000 0.284 296 Y C 2.191 178.102 175.900 0.019 0.000 1.154 296 Y CA 2.170 60.302 58.100 0.054 0.000 1.149 296 Y CB -0.626 37.852 38.460 0.030 0.000 0.976 296 Y HN 0.342 nan 8.280 nan 0.000 0.505 297 L N 1.113 122.400 121.223 0.106 0.000 1.989 297 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 297 L C 2.130 178.887 176.870 -0.189 0.000 1.071 297 L CA 2.060 56.841 54.840 -0.098 0.000 0.749 297 L CB -0.940 41.040 42.059 -0.133 0.000 0.890 297 L HN 0.169 nan 8.230 nan 0.000 0.431 298 K N -0.478 119.881 120.400 -0.068 0.000 2.057 298 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 298 K C 2.077 178.666 176.600 -0.017 0.000 1.049 298 K CA 1.393 57.645 56.287 -0.059 0.000 0.931 298 K CB -0.438 32.131 32.500 0.115 0.000 0.714 298 K HN 0.505 nan 8.250 nan 0.000 0.440 299 A N 1.071 123.885 122.820 -0.009 0.000 1.898 299 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 299 A C 2.234 179.823 177.584 0.008 0.000 1.181 299 A CA 1.691 53.747 52.037 0.031 0.000 0.620 299 A CB -0.480 18.613 19.000 0.156 0.000 0.819 299 A HN 0.158 nan 8.150 nan 0.000 0.442 300 S N -0.079 115.513 115.700 -0.179 0.000 2.368 300 S HA -0.057 4.413 4.470 -0.000 0.000 0.225 300 S C 2.305 176.840 174.600 -0.107 0.000 1.030 300 S CA 1.228 59.294 58.200 -0.224 0.000 0.999 300 S CB -0.442 62.471 63.200 -0.479 0.000 0.844 300 S HN 0.788 nan 8.310 nan 0.000 0.459 301 A N 1.468 124.234 122.820 -0.090 0.000 1.898 301 A HA 0.156 4.476 4.320 -0.000 0.000 0.216 301 A C 2.340 179.968 177.584 0.073 0.000 1.181 301 A CA 1.623 53.672 52.037 0.021 0.000 0.620 301 A CB -1.025 17.986 19.000 0.018 0.000 0.819 301 A HN 0.510 nan 8.150 nan 0.000 0.442 302 A N -1.176 121.682 122.820 0.063 0.000 1.972 302 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 302 A C 2.264 179.826 177.584 -0.036 0.000 1.169 302 A CA 1.556 53.483 52.037 -0.184 0.000 0.635 302 A CB -1.248 17.249 19.000 -0.837 0.000 0.810 302 A HN 0.576 nan 8.150 nan 0.000 0.446 303 C N -0.806 118.590 119.300 0.161 0.000 2.413 303 C HA -0.116 4.344 4.460 -0.000 0.000 0.276 303 C C 2.942 177.945 174.990 0.022 0.000 1.248 303 C CA 1.268 60.424 59.018 0.230 0.000 1.742 303 C CB -1.249 26.586 27.740 0.158 0.000 2.017 303 C HN 0.621 nan 8.230 nan 0.000 0.481 304 R N 0.794 121.207 120.500 -0.144 0.000 2.075 304 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 304 R C 2.403 178.415 176.300 -0.481 0.000 1.126 304 R CA 1.497 57.370 56.100 -0.377 0.000 0.963 304 R CB -0.548 29.372 30.300 -0.633 0.000 0.858 304 R HN 0.528 nan 8.270 nan 0.000 0.435 305 A N 1.465 124.039 122.820 -0.409 0.000 1.908 305 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 305 A C 2.259 179.820 177.584 -0.037 0.000 1.181 305 A CA 1.776 53.734 52.037 -0.132 0.000 0.627 305 A CB -0.512 18.467 19.000 -0.035 0.000 0.818 305 A HN 0.394 nan 8.150 nan 0.000 0.445 306 A N -1.342 121.477 122.820 -0.002 0.000 2.208 306 A HA 0.243 4.563 4.320 -0.000 0.000 0.209 306 A C 0.976 178.586 177.584 0.043 0.000 1.161 306 A CA 0.785 52.857 52.037 0.057 0.000 0.782 306 A CB -0.454 18.649 19.000 0.172 0.000 0.816 306 A HN 0.511 nan 8.150 nan 0.000 0.477 307 K N -0.602 119.804 120.400 0.011 0.000 3.077 307 K HA -0.160 4.160 4.320 -0.000 0.000 0.264 307 K C -0.702 175.913 176.600 0.025 0.000 1.008 307 K CA 0.401 56.694 56.287 0.010 0.000 0.740 307 K CB -1.997 30.514 32.500 0.018 0.000 1.273 307 K HN 0.552 nan 8.250 nan 0.000 0.477 308 L N 1.003 122.252 121.223 0.044 0.000 2.456 308 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 308 L C 1.073 177.955 176.870 0.019 0.000 1.189 308 L CA 0.196 55.063 54.840 0.045 0.000 0.846 308 L CB 0.458 42.563 42.059 0.077 0.000 1.111 308 L HN 0.278 nan 8.230 nan 0.000 0.475 309 Q N 3.427 123.232 119.800 0.008 0.000 2.322 309 Q HA 0.061 4.401 4.340 -0.000 0.000 0.256 309 Q C -0.892 175.096 176.000 -0.019 0.000 0.960 309 Q CA -0.518 55.281 55.803 -0.006 0.000 0.934 309 Q CB 0.578 29.309 28.738 -0.010 0.000 1.200 309 Q HN 0.533 nan 8.270 nan 0.000 0.435 310 D N 2.249 122.638 120.400 -0.017 0.000 2.737 310 D HA -0.163 4.477 4.640 -0.000 0.000 0.238 310 D C -0.371 175.909 176.300 -0.033 0.000 1.157 310 D CA 0.802 54.787 54.000 -0.025 0.000 0.694 310 D CB -1.909 38.868 40.800 -0.039 0.000 1.021 310 D HN 0.637 nan 8.370 nan 0.000 0.420 311 C N -0.421 118.866 119.300 -0.021 0.000 2.576 311 C HA 0.614 5.074 4.460 -0.000 0.000 0.401 311 C C 0.840 175.816 174.990 -0.023 0.000 1.314 311 C CA -0.562 58.437 59.018 -0.033 0.000 1.855 311 C CB 0.518 28.249 27.740 -0.015 0.000 2.537 311 C HN 0.373 nan 8.230 nan 0.000 0.578 312 T N 5.969 120.501 114.554 -0.036 0.000 2.792 312 T HA 0.541 4.891 4.350 -0.000 0.000 0.280 312 T C -0.250 174.464 174.700 0.023 0.000 0.990 312 T CA -0.124 61.987 62.100 0.018 0.000 0.960 312 T CB 1.147 70.012 68.868 -0.006 0.000 0.939 312 T HN 0.772 nan 8.240 nan 0.000 0.439 313 M N 3.042 122.700 119.600 0.098 0.000 2.472 313 M HA 0.621 5.101 4.480 -0.000 0.000 0.331 313 M C -1.168 175.252 176.300 0.200 0.000 1.170 313 M CA -0.988 54.365 55.300 0.088 0.000 1.009 313 M CB 1.746 34.384 32.600 0.064 0.000 1.672 313 M HN 0.343 nan 8.290 nan 0.000 0.453 314 L N 3.303 124.607 121.223 0.136 0.000 2.372 314 L HA 0.704 5.044 4.340 -0.000 0.000 0.274 314 L C -1.574 175.307 176.870 0.018 0.000 0.988 314 L CA -0.484 54.430 54.840 0.124 0.000 0.833 314 L CB 1.749 43.916 42.059 0.180 0.000 1.236 314 L HN 0.471 nan 8.230 nan 0.000 0.410 315 V N 4.324 124.225 119.914 -0.022 0.000 2.531 315 V HA 0.583 4.703 4.120 -0.000 0.000 0.301 315 V C -0.785 175.152 176.094 -0.261 0.000 1.034 315 V CA -0.630 61.639 62.300 -0.052 0.000 0.865 315 V CB 1.930 33.818 31.823 0.107 0.000 0.995 315 V HN 0.797 nan 8.190 nan 0.000 0.424 316 N N 3.567 122.060 118.700 -0.345 0.000 2.617 316 N HA 0.617 5.357 4.740 -0.000 0.000 0.263 316 N C 0.554 175.944 175.510 -0.200 0.000 1.074 316 N CA 0.513 53.153 53.050 -0.683 0.000 0.841 316 N CB 1.764 39.653 38.487 -0.996 0.000 1.221 316 N HN 1.074 nan 8.380 nan 0.000 0.529 317 G N 2.482 111.322 108.800 0.066 0.000 2.596 317 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.304 317 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.304 317 G C 0.564 175.316 174.900 -0.247 0.000 1.189 317 G CA 0.824 45.932 45.100 0.015 0.000 0.986 317 G HN 0.628 nan 8.290 nan 0.000 0.548 318 D N 1.173 121.346 120.400 -0.378 0.000 2.349 318 D HA 0.112 4.752 4.640 -0.000 0.000 0.224 318 D C 0.485 176.656 176.300 -0.215 0.000 1.029 318 D CA 0.897 54.507 54.000 -0.650 0.000 0.879 318 D CB -0.098 40.314 40.800 -0.647 0.000 0.906 318 D HN 0.413 nan 8.370 nan 0.000 0.528 319 D N 0.575 120.902 120.400 -0.123 0.000 2.295 319 D HA 0.270 4.910 4.640 -0.000 0.000 0.248 319 D C -1.030 175.250 176.300 -0.032 0.000 1.154 319 D CA -0.528 53.444 54.000 -0.048 0.000 0.857 319 D CB 0.959 41.722 40.800 -0.062 0.000 1.117 319 D HN 0.052 nan 8.370 nan 0.000 0.468 320 L N 5.328 126.577 121.223 0.043 0.000 2.381 320 L HA 0.491 4.831 4.340 -0.000 0.000 0.274 320 L C -1.652 175.230 176.870 0.020 0.000 0.988 320 L CA -0.723 54.156 54.840 0.064 0.000 0.824 320 L CB 1.849 44.021 42.059 0.188 0.000 1.263 320 L HN 0.142 nan 8.230 nan 0.000 0.410 321 V N 5.978 125.860 119.914 -0.053 0.000 2.735 321 V HA 0.793 4.913 4.120 -0.000 0.000 0.310 321 V C -1.307 174.627 176.094 -0.267 0.000 1.061 321 V CA -0.388 61.818 62.300 -0.156 0.000 0.913 321 V CB 2.389 34.152 31.823 -0.099 0.000 1.005 321 V HN 0.579 nan 8.190 nan 0.000 0.428 322 V N 7.540 127.103 119.914 -0.586 0.000 2.540 322 V HA 0.586 4.706 4.120 -0.000 0.000 0.302 322 V C -0.384 175.427 176.094 -0.472 0.000 1.035 322 V CA -0.453 61.468 62.300 -0.632 0.000 0.873 322 V CB 1.735 32.863 31.823 -1.158 0.000 0.992 322 V HN 0.742 nan 8.190 nan 0.000 0.428 323 I N 5.000 125.435 120.570 -0.225 0.000 2.436 323 I HA 0.710 4.880 4.170 -0.000 0.000 0.289 323 I C -0.052 175.988 176.117 -0.128 0.000 1.010 323 I CA -0.305 60.927 61.300 -0.113 0.000 1.098 323 I CB 1.698 39.688 38.000 -0.016 0.000 1.266 323 I HN 0.904 nan 8.210 nan 0.000 0.434 324 C N 2.485 121.707 119.300 -0.130 0.000 3.335 324 C HA 0.578 5.038 4.460 -0.000 0.000 0.356 324 C C -0.698 174.210 174.990 -0.137 0.000 1.570 324 C CA -0.900 58.055 59.018 -0.105 0.000 1.271 324 C CB 1.831 29.545 27.740 -0.043 0.000 1.873 324 C HN 0.622 nan 8.230 nan 0.000 0.439 325 E N 1.718 121.861 120.200 -0.095 0.000 2.289 325 E HA 0.313 4.663 4.350 -0.000 0.000 0.278 325 E C -0.019 176.557 176.600 -0.040 0.000 1.032 325 E CA 0.419 56.764 56.400 -0.090 0.000 0.854 325 E CB 1.735 31.395 29.700 -0.067 0.000 1.046 325 E HN 0.702 nan 8.360 nan 0.000 0.409 326 S N 1.609 117.296 115.700 -0.021 0.000 2.562 326 S HA 0.251 4.721 4.470 -0.000 0.000 0.281 326 S C 0.528 175.145 174.600 0.027 0.000 1.333 326 S CA 0.078 58.312 58.200 0.057 0.000 1.052 326 S CB 0.587 63.876 63.200 0.149 0.000 0.884 326 S HN 0.539 nan 8.310 nan 0.000 0.506 327 A N 3.433 126.276 122.820 0.038 0.000 2.503 327 A HA 0.654 4.974 4.320 -0.000 0.000 0.263 327 A C 0.890 178.483 177.584 0.015 0.000 1.258 327 A CA 0.265 52.313 52.037 0.017 0.000 0.936 327 A CB -0.802 18.207 19.000 0.015 0.000 1.070 327 A HN 1.831 nan 8.150 nan 0.000 0.522 328 G N -1.428 107.385 108.800 0.022 0.000 2.539 328 G HA2 0.117 4.076 3.960 -0.000 0.000 0.686 328 G HA3 0.117 4.076 3.960 -0.000 0.000 0.686 328 G C 0.540 175.457 174.900 0.029 0.000 1.258 328 G CA 0.222 45.322 45.100 -0.000 0.000 0.846 328 G HN 1.017 nan 8.290 nan 0.000 0.647 329 T N -1.897 112.653 114.554 -0.007 0.000 2.708 329 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 329 T C 2.082 176.815 174.700 0.054 0.000 1.037 329 T CA 2.302 64.424 62.100 0.037 0.000 1.146 329 T CB -0.363 68.491 68.868 -0.024 0.000 0.865 329 T HN 0.694 nan 8.240 nan 0.000 0.435 330 Q N 0.825 120.639 119.800 0.022 0.000 2.084 330 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 330 Q C 2.499 178.511 176.000 0.019 0.000 0.978 330 Q CA 1.707 57.521 55.803 0.018 0.000 0.844 330 Q CB -0.227 28.515 28.738 0.007 0.000 0.898 330 Q HN 0.614 nan 8.270 nan 0.000 0.426 331 E N 0.899 121.111 120.200 0.020 0.000 2.077 331 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 331 E C 1.568 178.181 176.600 0.022 0.000 0.989 331 E CA 1.307 57.718 56.400 0.018 0.000 0.800 331 E CB -0.059 29.651 29.700 0.016 0.000 0.746 331 E HN 0.284 nan 8.360 nan 0.000 0.452 332 D N 0.054 120.480 120.400 0.044 0.000 2.097 332 D HA -0.107 4.532 4.640 -0.000 0.000 0.195 332 D C 1.880 178.175 176.300 -0.008 0.000 0.989 332 D CA 1.488 55.512 54.000 0.040 0.000 0.827 332 D CB -0.418 40.456 40.800 0.124 0.000 0.966 332 D HN 0.202 nan 8.370 nan 0.000 0.456 333 A N 1.071 123.897 122.820 0.011 0.000 1.908 333 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 333 A C 2.312 179.880 177.584 -0.027 0.000 1.181 333 A CA 2.429 54.456 52.037 -0.016 0.000 0.627 333 A CB -0.770 18.235 19.000 0.008 0.000 0.818 333 A HN 0.244 nan 8.150 nan 0.000 0.445 334 A N 0.232 123.046 122.820 -0.010 0.000 1.902 334 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 334 A C 2.530 180.109 177.584 -0.010 0.000 1.181 334 A CA 2.386 54.419 52.037 -0.008 0.000 0.623 334 A CB -0.978 18.022 19.000 0.000 0.000 0.818 334 A HN 1.029 nan 8.150 nan 0.000 0.443 335 S N -0.589 115.103 115.700 -0.013 0.000 2.402 335 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 335 S C 1.710 176.298 174.600 -0.020 0.000 1.021 335 S CA 1.405 59.604 58.200 -0.002 0.000 0.974 335 S CB -0.503 62.699 63.200 0.005 0.000 0.800 335 S HN 0.219 nan 8.310 nan 0.000 0.484 336 L N 1.765 122.919 121.223 -0.114 0.000 2.141 336 L HA 0.165 4.505 4.340 -0.000 0.000 0.209 336 L C 2.868 179.710 176.870 -0.047 0.000 1.094 336 L CA 1.467 56.171 54.840 -0.227 0.000 0.763 336 L CB -0.778 41.032 42.059 -0.415 0.000 0.908 336 L HN 0.341 nan 8.230 nan 0.000 0.437 337 R N -0.781 119.705 120.500 -0.023 0.000 2.081 337 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 337 R C 2.133 178.450 176.300 0.029 0.000 1.131 337 R CA 1.537 57.644 56.100 0.011 0.000 0.960 337 R CB -0.146 30.153 30.300 -0.002 0.000 0.856 337 R HN 0.214 nan 8.270 nan 0.000 0.436 338 V N 0.846 120.776 119.914 0.027 0.000 2.343 338 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 338 V C 2.011 178.119 176.094 0.023 0.000 1.051 338 V CA 1.824 64.134 62.300 0.016 0.000 1.036 338 V CB -0.692 31.142 31.823 0.018 0.000 0.654 338 V HN 0.312 nan 8.190 nan 0.000 0.451 339 F N 1.547 121.450 119.950 -0.078 0.000 2.095 339 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 339 F C 2.468 178.208 175.800 -0.101 0.000 1.104 339 F CA 2.416 60.365 58.000 -0.084 0.000 1.232 339 F CB -0.577 38.376 39.000 -0.079 0.000 0.987 339 F HN 0.113 nan 8.300 nan 0.000 0.475 340 T N 0.072 114.725 114.554 0.165 0.000 2.684 340 T HA -0.221 4.128 4.350 -0.000 0.000 0.267 340 T C 1.713 176.407 174.700 -0.011 0.000 1.036 340 T CA 1.859 64.053 62.100 0.156 0.000 1.148 340 T CB -0.398 68.617 68.868 0.244 0.000 0.863 340 T HN 0.390 nan 8.240 nan 0.000 0.436 341 E N 0.958 121.131 120.200 -0.044 0.000 2.085 341 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 341 E C 2.535 179.012 176.600 -0.206 0.000 0.994 341 E CA 1.049 57.393 56.400 -0.093 0.000 0.801 341 E CB -0.237 29.421 29.700 -0.071 0.000 0.743 341 E HN 0.492 nan 8.360 nan 0.000 0.453 342 A N 1.156 123.797 122.820 -0.298 0.000 1.877 342 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 342 A C 2.160 179.332 177.584 -0.686 0.000 1.186 342 A CA 1.292 53.009 52.037 -0.533 0.000 0.620 342 A CB -0.330 18.384 19.000 -0.476 0.000 0.822 342 A HN 0.116 nan 8.150 nan 0.000 0.443 343 M N -0.230 119.077 119.600 -0.490 0.000 2.108 343 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 343 M C 2.191 178.431 176.300 -0.100 0.000 1.066 343 M CA 2.072 57.210 55.300 -0.270 0.000 1.107 343 M CB -1.970 30.405 32.600 -0.374 0.000 1.356 343 M HN 0.455 nan 8.290 nan 0.000 0.406 344 T N -0.021 114.474 114.554 -0.098 0.000 2.708 344 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 344 T C 2.002 176.651 174.700 -0.084 0.000 1.037 344 T CA 1.185 63.260 62.100 -0.043 0.000 1.146 344 T CB -0.203 68.645 68.868 -0.033 0.000 0.865 344 T HN 0.366 nan 8.240 nan 0.000 0.435 345 R N -0.088 120.296 120.500 -0.193 0.000 2.105 345 R HA -0.078 4.262 4.340 -0.000 0.000 0.239 345 R C 1.795 178.034 176.300 -0.102 0.000 1.135 345 R CA 1.223 57.205 56.100 -0.196 0.000 0.967 345 R CB -0.281 29.831 30.300 -0.313 0.000 0.861 345 R HN 0.431 nan 8.270 nan 0.000 0.442 346 Y N -0.013 120.239 120.300 -0.079 0.000 2.578 346 Y HA 0.072 4.622 4.550 -0.000 0.000 0.297 346 Y C 0.908 176.769 175.900 -0.066 0.000 1.176 346 Y CA -0.133 57.914 58.100 -0.089 0.000 1.315 346 Y CB -0.222 38.212 38.460 -0.044 0.000 1.031 346 Y HN -0.051 nan 8.280 nan 0.000 0.524 347 S N -0.177 115.572 115.700 0.082 0.000 3.884 347 S HA -0.111 4.359 4.470 -0.000 0.000 0.374 347 S C 0.010 174.634 174.600 0.040 0.000 0.971 347 S CA 0.451 58.683 58.200 0.052 0.000 1.152 347 S CB -1.404 61.816 63.200 0.033 0.000 0.877 347 S HN 0.675 nan 8.310 nan 0.000 0.491 348 A N 1.917 124.787 122.820 0.084 0.000 3.453 348 A HA 0.571 4.890 4.320 -0.000 0.000 0.262 348 A C -2.329 175.396 177.584 0.235 0.000 1.026 348 A CA -0.820 51.302 52.037 0.141 0.000 0.938 348 A CB 0.838 19.963 19.000 0.208 0.000 1.246 348 A HN 0.430 nan 8.150 nan 0.000 0.546 349 P HA 0.250 nan 4.420 nan 0.000 0.269 349 P C -2.864 174.503 177.300 0.112 0.000 1.215 349 P CA -0.952 62.212 63.100 0.107 0.000 0.780 349 P CB 0.320 32.009 31.700 -0.018 0.000 0.898 350 P HA 0.086 nan 4.420 nan 0.000 0.278 350 P C 0.675 177.908 177.300 -0.111 0.000 1.238 350 P CA 0.146 63.168 63.100 -0.130 0.000 0.794 350 P CB 0.817 32.466 31.700 -0.085 0.000 0.955 351 G N 2.623 111.338 108.800 -0.143 0.000 2.620 351 G HA2 0.006 3.966 3.960 -0.000 0.000 0.200 351 G HA3 0.006 3.966 3.960 -0.000 0.000 0.200 351 G C -0.213 174.636 174.900 -0.085 0.000 1.710 351 G CA -0.010 45.040 45.100 -0.084 0.000 0.919 351 G HN 0.468 nan 8.290 nan 0.000 0.455 352 D N 2.292 122.643 120.400 -0.082 0.000 2.425 352 D HA 0.298 4.938 4.640 -0.000 0.000 0.247 352 D C -2.202 174.046 176.300 -0.087 0.000 1.147 352 D CA -0.700 53.261 54.000 -0.065 0.000 0.879 352 D CB 1.042 41.815 40.800 -0.045 0.000 1.179 352 D HN -0.022 nan 8.370 nan 0.000 0.456 353 P HA 0.144 nan 4.420 nan 0.000 0.271 353 P C -2.305 174.980 177.300 -0.025 0.000 1.216 353 P CA -0.983 62.096 63.100 -0.035 0.000 0.776 353 P CB -0.212 31.478 31.700 -0.015 0.000 0.881 354 P HA 0.215 nan 4.420 nan 0.000 0.271 354 P C -0.756 176.510 177.300 -0.057 0.000 1.216 354 P CA 0.261 63.372 63.100 0.018 0.000 0.776 354 P CB 0.326 32.056 31.700 0.049 0.000 0.881 355 Q N 2.746 122.537 119.800 -0.015 0.000 2.340 355 Q HA 0.559 4.898 4.340 -0.000 0.000 0.268 355 Q C -2.781 173.203 176.000 -0.027 0.000 1.031 355 Q CA -2.059 53.727 55.803 -0.028 0.000 0.804 355 Q CB 0.822 29.562 28.738 0.003 0.000 1.286 355 Q HN 0.374 nan 8.270 nan 0.000 0.448 356 P HA 0.266 nan 4.420 nan 0.000 0.271 356 P C -0.784 176.372 177.300 -0.241 0.000 1.220 356 P CA -0.004 62.998 63.100 -0.165 0.000 0.768 356 P CB 0.859 32.459 31.700 -0.166 0.000 0.848 357 E N 2.098 122.118 120.200 -0.299 0.000 2.238 357 E HA 0.220 4.570 4.350 -0.000 0.000 0.267 357 E C -0.482 175.952 176.600 -0.277 0.000 0.887 357 E CA -0.390 55.889 56.400 -0.201 0.000 0.769 357 E CB 1.543 31.219 29.700 -0.040 0.000 1.187 357 E HN 0.444 nan 8.360 nan 0.000 0.416 358 Y N -0.365 120.079 120.300 0.240 0.000 2.500 358 Y HA 0.139 4.689 4.550 -0.000 0.000 0.246 358 Y C 0.392 176.541 175.900 0.416 0.000 1.146 358 Y CA -0.384 57.918 58.100 0.336 0.000 1.230 358 Y CB 0.987 39.550 38.460 0.172 0.000 1.214 358 Y HN 0.281 nan 8.280 nan 0.000 0.526 359 D N 0.537 121.101 120.400 0.273 0.000 2.425 359 D HA 0.116 4.756 4.640 -0.000 0.000 0.240 359 D C 0.777 176.889 176.300 -0.314 0.000 1.080 359 D CA -0.303 53.732 54.000 0.057 0.000 0.836 359 D CB 1.771 42.599 40.800 0.047 0.000 1.125 359 D HN 0.099 nan 8.370 nan 0.000 0.525 360 L N 4.363 125.104 121.223 -0.803 0.000 2.127 360 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 360 L C 1.600 178.132 176.870 -0.563 0.000 1.089 360 L CA 1.908 56.035 54.840 -1.187 0.000 0.757 360 L CB -0.324 40.787 42.059 -1.580 0.000 0.899 360 L HN 0.523 nan 8.230 nan 0.000 0.434 361 E N -0.769 119.223 120.200 -0.347 0.000 2.333 361 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 361 E C 1.857 178.365 176.600 -0.154 0.000 1.007 361 E CA 0.865 57.144 56.400 -0.203 0.000 0.845 361 E CB -0.136 29.497 29.700 -0.113 0.000 0.766 361 E HN 0.547 nan 8.360 nan 0.000 0.507 362 L N 0.721 121.851 121.223 -0.154 0.000 2.607 362 L HA 0.214 4.554 4.340 -0.000 0.000 0.228 362 L C 0.582 177.395 176.870 -0.095 0.000 1.123 362 L CA -0.197 54.588 54.840 -0.092 0.000 0.890 362 L CB 0.317 42.348 42.059 -0.047 0.000 1.103 362 L HN 0.020 nan 8.230 nan 0.000 0.468 363 I N 0.401 120.881 120.570 -0.150 0.000 2.337 363 I HA 0.086 4.255 4.170 -0.000 0.000 0.291 363 I C 0.058 176.119 176.117 -0.094 0.000 1.046 363 I CA 0.191 61.419 61.300 -0.120 0.000 1.324 363 I CB 1.229 39.127 38.000 -0.170 0.000 1.409 363 I HN -0.068 nan 8.210 nan 0.000 0.494 364 T N 5.557 120.081 114.554 -0.051 0.000 2.749 364 T HA 0.463 4.813 4.350 -0.000 0.000 0.287 364 T C 0.022 174.711 174.700 -0.018 0.000 0.970 364 T CA -0.510 61.571 62.100 -0.031 0.000 0.980 364 T CB 0.946 69.805 68.868 -0.017 0.000 0.924 364 T HN 0.794 nan 8.240 nan 0.000 0.456 368 S N 3.071 118.826 115.700 0.091 0.000 2.627 368 S HA 0.773 5.243 4.470 -0.000 0.000 0.283 368 S C -1.069 173.554 174.600 0.039 0.000 1.127 368 S CA -0.973 57.299 58.200 0.120 0.000 0.863 368 S CB 1.756 65.099 63.200 0.239 0.000 1.121 368 S HN 0.540 nan 8.310 nan 0.000 0.479 369 N N -0.686 118.025 118.700 0.017 0.000 2.416 369 N HA 0.433 5.173 4.740 -0.000 0.000 0.276 369 N C -1.416 174.028 175.510 -0.111 0.000 1.261 369 N CA -0.617 52.396 53.050 -0.062 0.000 0.790 369 N CB 1.065 39.504 38.487 -0.079 0.000 1.554 369 N HN 0.333 nan 8.380 nan 0.000 0.481 370 V N 0.560 120.373 119.914 -0.167 0.000 2.637 370 V HA 0.327 4.447 4.120 -0.000 0.000 0.296 370 V C 0.633 176.597 176.094 -0.216 0.000 1.046 370 V CA 0.172 62.348 62.300 -0.207 0.000 1.066 370 V CB 0.709 32.389 31.823 -0.237 0.000 0.968 370 V HN 0.852 nan 8.190 nan 0.000 0.483 371 S N 3.278 118.774 115.700 -0.340 0.000 2.806 371 S HA 0.841 5.311 4.470 -0.000 0.000 0.306 371 S C -1.174 173.339 174.600 -0.146 0.000 1.167 371 S CA -0.524 57.520 58.200 -0.260 0.000 0.847 371 S CB 2.120 65.148 63.200 -0.287 0.000 1.216 371 S HN 0.422 nan 8.310 nan 0.000 0.532 372 V N 1.185 121.123 119.914 0.040 0.000 2.656 372 V HA 0.940 5.059 4.120 -0.000 0.000 0.307 372 V C 0.134 176.295 176.094 0.111 0.000 1.051 372 V CA -0.203 62.111 62.300 0.024 0.000 0.893 372 V CB 1.049 32.774 31.823 -0.162 0.000 0.999 372 V HN 1.119 nan 8.190 nan 0.000 0.426 373 A N 2.833 125.604 122.820 -0.083 0.000 2.504 373 A HA 0.857 5.177 4.320 -0.000 0.000 0.285 373 A C -1.150 176.108 177.584 -0.543 0.000 1.261 373 A CA -0.636 51.190 52.037 -0.351 0.000 0.741 373 A CB 1.701 20.257 19.000 -0.741 0.000 1.327 373 A HN 0.845 nan 8.150 nan 0.000 0.441 374 H N 0.606 119.326 119.070 -0.584 0.000 2.495 374 H HA 0.353 4.909 4.556 -0.000 0.000 0.348 374 H C -0.870 174.103 175.328 -0.592 0.000 1.113 374 H CA -0.366 55.344 56.048 -0.564 0.000 1.195 374 H CB 1.778 31.172 29.762 -0.613 0.000 1.521 374 H HN 0.907 nan 8.280 nan 0.000 0.509 375 D N 1.172 121.462 120.400 -0.183 0.000 2.440 375 D HA 0.113 4.753 4.640 -0.000 0.000 0.269 375 D C 1.317 177.710 176.300 0.155 0.000 1.249 375 D CA -0.398 53.572 54.000 -0.051 0.000 1.055 375 D CB 0.288 41.061 40.800 -0.044 0.000 1.104 375 D HN 0.438 nan 8.370 nan 0.000 0.561 376 A N -0.454 122.450 122.820 0.140 0.000 1.978 376 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 376 A C 2.035 179.689 177.584 0.116 0.000 1.170 376 A CA 2.308 54.428 52.037 0.139 0.000 0.636 376 A CB -1.071 17.975 19.000 0.077 0.000 0.810 376 A HN 0.616 nan 8.150 nan 0.000 0.448 377 S N -2.413 113.344 115.700 0.094 0.000 2.558 377 S HA 0.380 4.850 4.470 -0.000 0.000 0.217 377 S C 1.409 176.064 174.600 0.091 0.000 0.975 377 S CA 1.071 59.313 58.200 0.069 0.000 0.912 377 S CB -0.103 63.122 63.200 0.042 0.000 0.776 377 S HN 1.900 nan 8.310 nan 0.000 0.526 378 G N 0.072 108.963 108.800 0.152 0.000 2.175 378 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.244 378 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.244 378 G C 0.174 175.195 174.900 0.203 0.000 0.982 378 G CA 0.127 45.332 45.100 0.175 0.000 0.641 378 G HN 1.071 nan 8.290 nan 0.000 0.527 379 K N 0.864 121.316 120.400 0.086 0.000 2.350 379 K HA 0.692 5.012 4.320 -0.000 0.000 0.279 379 K C 0.673 177.184 176.600 -0.148 0.000 1.027 379 K CA 0.048 56.336 56.287 0.002 0.000 0.969 379 K CB 0.194 32.678 32.500 -0.027 0.000 0.954 379 K HN 0.619 nan 8.250 nan 0.000 0.474 380 R N 0.722 121.052 120.500 -0.283 0.000 2.449 380 R HA 0.325 4.665 4.340 -0.000 0.000 0.296 380 R C 0.273 176.305 176.300 -0.446 0.000 1.047 380 R CA 0.035 55.793 56.100 -0.569 0.000 1.018 380 R CB 0.352 30.352 30.300 -0.500 0.000 0.962 380 R HN 0.648 nan 8.270 nan 0.000 0.428 381 V N 0.771 120.414 119.914 -0.452 0.000 2.962 381 V HA 0.502 4.622 4.120 -0.000 0.000 0.313 381 V C -1.156 174.779 176.094 -0.266 0.000 1.099 381 V CA -1.209 60.896 62.300 -0.325 0.000 0.971 381 V CB 1.607 33.333 31.823 -0.162 0.000 1.028 381 V HN 0.521 nan 8.190 nan 0.000 0.430 382 Y N 3.746 124.045 120.300 -0.003 0.000 2.310 382 Y HA 0.793 5.343 4.550 -0.000 0.000 0.326 382 Y C 0.030 176.002 175.900 0.121 0.000 1.151 382 Y CA -0.139 57.970 58.100 0.016 0.000 1.195 382 Y CB 1.458 39.886 38.460 -0.054 0.000 1.210 382 Y HN 0.912 nan 8.280 nan 0.000 0.483 383 Y N 0.216 120.586 120.300 0.118 0.000 2.670 383 Y HA 0.687 5.237 4.550 -0.000 0.000 0.334 383 Y C -2.297 173.657 175.900 0.089 0.000 1.185 383 Y CA -2.023 56.120 58.100 0.072 0.000 1.053 383 Y CB 0.721 39.198 38.460 0.028 0.000 1.298 383 Y HN 0.464 nan 8.280 nan 0.000 0.459 384 L N 2.116 123.372 121.223 0.055 0.000 2.289 384 L HA 0.746 5.086 4.340 -0.000 0.000 0.285 384 L C 0.004 177.010 176.870 0.227 0.000 1.049 384 L CA 0.374 55.236 54.840 0.037 0.000 0.804 384 L CB 1.376 43.492 42.059 0.094 0.000 1.195 384 L HN 1.032 nan 8.230 nan 0.000 0.428 385 T N 4.344 118.996 114.554 0.163 0.000 2.716 385 T HA 0.875 5.224 4.350 -0.000 0.000 0.286 385 T C -1.179 173.668 174.700 0.244 0.000 1.052 385 T CA -0.605 61.700 62.100 0.342 0.000 1.024 385 T CB 1.149 70.185 68.868 0.279 0.000 1.349 385 T HN 0.835 nan 8.240 nan 0.000 0.525 386 R N 0.449 121.035 120.500 0.143 0.000 2.728 386 R HA 0.443 4.783 4.340 -0.000 0.000 0.274 386 R C -1.553 174.595 176.300 -0.254 0.000 1.030 386 R CA -0.985 55.070 56.100 -0.075 0.000 0.876 386 R CB 0.375 30.562 30.300 -0.188 0.000 1.259 386 R HN 0.529 nan 8.270 nan 0.000 0.468 387 D N 1.779 122.021 120.400 -0.264 0.000 2.458 387 D HA 0.048 4.687 4.640 -0.000 0.000 0.243 387 D C -1.387 174.527 176.300 -0.643 0.000 1.146 387 D CA -1.229 52.559 54.000 -0.355 0.000 0.877 387 D CB 1.278 41.955 40.800 -0.205 0.000 1.176 387 D HN 0.358 nan 8.370 nan 0.000 0.461 388 P HA 0.025 nan 4.420 nan 0.000 0.249 388 P C 1.111 178.076 177.300 -0.559 0.000 1.229 388 P CA 0.130 62.519 63.100 -1.185 0.000 0.788 388 P CB 0.319 31.233 31.700 -1.310 0.000 1.072 389 T N -0.291 114.057 114.554 -0.342 0.000 2.652 389 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 389 T C 1.742 176.376 174.700 -0.111 0.000 1.039 389 T CA 2.314 64.314 62.100 -0.166 0.000 1.153 389 T CB -1.063 67.751 68.868 -0.090 0.000 0.863 389 T HN 0.189 nan 8.240 nan 0.000 0.428 390 T N 2.210 116.700 114.554 -0.106 0.000 2.737 390 T HA -0.046 4.304 4.350 -0.000 0.000 0.265 390 T C -0.544 174.119 174.700 -0.062 0.000 1.038 390 T CA 1.148 63.215 62.100 -0.055 0.000 1.144 390 T CB -1.265 67.600 68.868 -0.005 0.000 0.866 390 T HN 0.319 nan 8.240 nan 0.000 0.434 391 P HA -0.060 nan 4.420 nan 0.000 0.216 391 P C 1.489 178.831 177.300 0.070 0.000 1.154 391 P CA 1.056 64.161 63.100 0.009 0.000 0.865 391 P CB -0.201 31.470 31.700 -0.049 0.000 0.789 392 L N -1.638 119.580 121.223 -0.008 0.000 2.072 392 L HA -0.090 4.250 4.340 -0.000 0.000 0.205 392 L C 2.490 179.400 176.870 0.067 0.000 1.079 392 L CA 1.365 56.226 54.840 0.034 0.000 0.752 392 L CB -1.184 40.859 42.059 -0.028 0.000 0.906 392 L HN -0.052 nan 8.230 nan 0.000 0.436 393 A N 0.425 123.276 122.820 0.051 0.000 1.902 393 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 393 A C 2.396 180.065 177.584 0.142 0.000 1.181 393 A CA 1.509 53.601 52.037 0.091 0.000 0.623 393 A CB -0.455 18.578 19.000 0.055 0.000 0.818 393 A HN 0.316 nan 8.150 nan 0.000 0.443 394 R N -0.619 119.939 120.500 0.096 0.000 2.075 394 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 394 R C 2.511 178.978 176.300 0.279 0.000 1.126 394 R CA 1.098 57.277 56.100 0.133 0.000 0.963 394 R CB -0.499 29.824 30.300 0.039 0.000 0.858 394 R HN 0.509 nan 8.270 nan 0.000 0.435 395 A N 1.526 124.531 122.820 0.309 0.000 1.908 395 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 395 A C 2.401 180.202 177.584 0.361 0.000 1.181 395 A CA 1.893 54.218 52.037 0.480 0.000 0.627 395 A CB -0.697 18.590 19.000 0.478 0.000 0.818 395 A HN 0.412 nan 8.150 nan 0.000 0.445 396 A N -1.631 121.308 122.820 0.199 0.000 1.902 396 A HA -0.185 4.134 4.320 -0.000 0.000 0.217 396 A C 2.109 179.805 177.584 0.186 0.000 1.181 396 A CA 1.409 53.522 52.037 0.126 0.000 0.623 396 A CB -0.840 18.212 19.000 0.087 0.000 0.818 396 A HN 0.817 nan 8.150 nan 0.000 0.443 397 W N 0.939 122.298 121.300 0.098 0.000 2.358 397 W HA -0.130 4.530 4.660 -0.000 0.000 0.303 397 W C 1.724 178.319 176.519 0.126 0.000 1.208 397 W CA 1.878 59.275 57.345 0.087 0.000 1.274 397 W CB -0.313 29.175 29.460 0.046 0.000 1.138 397 W HN 0.559 nan 8.180 nan 0.000 0.515 398 E N -1.075 119.403 120.200 0.464 0.000 2.347 398 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 398 E C 1.967 178.790 176.600 0.371 0.000 1.008 398 E CA 1.441 58.098 56.400 0.429 0.000 0.852 398 E CB -0.077 29.918 29.700 0.490 0.000 0.783 398 E HN 0.071 nan 8.360 nan 0.000 0.505 399 T N 0.370 115.114 114.554 0.318 0.000 2.851 399 T HA -0.032 4.318 4.350 -0.000 0.000 0.262 399 T C 1.964 176.721 174.700 0.095 0.000 1.043 399 T CA 1.050 63.273 62.100 0.206 0.000 1.140 399 T CB -0.023 68.961 68.868 0.193 0.000 0.872 399 T HN 0.218 nan 8.240 nan 0.000 0.446 400 A N 1.071 123.909 122.820 0.030 0.000 2.016 400 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 400 A C 1.127 178.681 177.584 -0.050 0.000 1.162 400 A CA 0.706 52.700 52.037 -0.071 0.000 0.662 400 A CB 0.150 19.018 19.000 -0.219 0.000 0.812 400 A HN 0.161 nan 8.150 nan 0.000 0.450 401 R N -0.813 119.703 120.500 0.026 0.000 2.575 401 R HA 0.445 4.785 4.340 -0.000 0.000 0.293 401 R C -0.508 175.890 176.300 0.163 0.000 0.983 401 R CA 0.131 56.286 56.100 0.091 0.000 0.887 401 R CB 0.116 30.506 30.300 0.149 0.000 1.184 401 R HN 0.446 nan 8.270 nan 0.000 0.445 402 H N 0.309 119.451 119.070 0.121 0.000 2.886 402 H HA 0.334 4.890 4.556 -0.000 0.000 0.329 402 H C -0.148 175.248 175.328 0.113 0.000 1.044 402 H CA 0.597 56.715 56.048 0.115 0.000 1.456 402 H CB 0.605 30.412 29.762 0.074 0.000 1.464 402 H HN 0.447 nan 8.280 nan 0.000 0.573 403 T N 3.486 118.108 114.554 0.112 0.000 3.032 403 T HA 0.398 4.748 4.350 -0.000 0.000 0.312 403 T C -1.648 173.072 174.700 0.033 0.000 1.078 403 T CA -0.948 61.191 62.100 0.065 0.000 1.028 403 T CB 1.272 70.189 68.868 0.082 0.000 1.091 403 T HN 0.481 nan 8.240 nan 0.000 0.457 404 P HA -0.058 nan 4.420 nan 0.000 0.217 404 P C 0.046 177.342 177.300 -0.005 0.000 1.162 404 P CA 0.876 63.953 63.100 -0.039 0.000 0.901 404 P CB 0.046 31.670 31.700 -0.127 0.000 0.793 405 V N 1.226 121.128 119.914 -0.020 0.000 2.394 405 V HA 0.199 4.319 4.120 -0.000 0.000 0.282 405 V C 0.098 176.149 176.094 -0.073 0.000 1.031 405 V CA -0.621 61.651 62.300 -0.047 0.000 0.881 405 V CB 1.283 33.080 31.823 -0.042 0.000 0.982 405 V HN 0.073 nan 8.190 nan 0.000 0.451 406 N N 3.205 121.798 118.700 -0.178 0.000 2.621 406 N HA 0.106 4.846 4.740 -0.000 0.000 0.237 406 N C 1.196 176.472 175.510 -0.391 0.000 0.997 406 N CA -0.002 52.858 53.050 -0.316 0.000 0.918 406 N CB 1.795 39.868 38.487 -0.689 0.000 1.122 406 N HN 0.781 nan 8.380 nan 0.000 0.510 407 S N 2.105 117.715 115.700 -0.149 0.000 2.400 407 S HA -0.145 4.325 4.470 -0.000 0.000 0.232 407 S C 1.800 176.365 174.600 -0.057 0.000 1.025 407 S CA 0.379 58.534 58.200 -0.074 0.000 0.993 407 S CB -0.469 62.742 63.200 0.019 0.000 0.808 407 S HN 0.815 nan 8.310 nan 0.000 0.478 408 W N 1.237 122.476 121.300 -0.101 0.000 2.363 408 W HA -0.034 4.626 4.660 -0.000 0.000 0.296 408 W C 1.725 178.161 176.519 -0.137 0.000 1.212 408 W CA 0.527 57.775 57.345 -0.161 0.000 1.260 408 W CB -1.034 28.054 29.460 -0.620 0.000 1.131 408 W HN 0.373 nan 8.180 nan 0.000 0.530 409 L N 2.886 123.518 121.223 -0.985 0.000 2.056 409 L HA 0.158 4.498 4.340 -0.000 0.000 0.207 409 L C 2.689 179.377 176.870 -0.302 0.000 1.078 409 L CA 2.799 57.151 54.840 -0.813 0.000 0.749 409 L CB -1.380 39.954 42.059 -1.209 0.000 0.901 409 L HN 0.047 nan 8.230 nan 0.000 0.433 410 G N -0.567 108.069 108.800 -0.273 0.000 2.440 410 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 410 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 410 G C 1.475 176.381 174.900 0.010 0.000 1.154 410 G CA 0.856 45.871 45.100 -0.143 0.000 0.767 410 G HN 0.446 nan 8.290 nan 0.000 0.552 411 N N 0.562 119.334 118.700 0.121 0.000 2.142 411 N HA -0.018 4.721 4.740 -0.000 0.000 0.186 411 N C 2.274 177.947 175.510 0.271 0.000 1.023 411 N CA 0.685 53.936 53.050 0.334 0.000 0.852 411 N CB -0.202 38.537 38.487 0.421 0.000 0.998 411 N HN 0.351 nan 8.380 nan 0.000 0.424 412 I N 1.009 121.698 120.570 0.199 0.000 2.179 412 I HA -0.241 3.928 4.170 -0.000 0.000 0.242 412 I C 2.055 178.232 176.117 0.101 0.000 1.088 412 I CA 0.925 62.322 61.300 0.162 0.000 1.357 412 I CB -0.184 37.979 38.000 0.271 0.000 1.051 412 I HN 0.048 nan 8.210 nan 0.000 0.409 413 I N -0.045 120.579 120.570 0.091 0.000 2.142 413 I HA -0.306 3.863 4.170 -0.000 0.000 0.240 413 I C 2.505 178.718 176.117 0.160 0.000 1.078 413 I CA 1.327 62.701 61.300 0.123 0.000 1.343 413 I CB -0.262 37.769 38.000 0.050 0.000 1.046 413 I HN 0.224 nan 8.210 nan 0.000 0.405 414 M N -0.730 118.883 119.600 0.021 0.000 2.254 414 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 414 M C 1.080 177.167 176.300 -0.354 0.000 1.066 414 M CA 1.686 56.891 55.300 -0.159 0.000 1.123 414 M CB -0.731 31.651 32.600 -0.363 0.000 1.388 414 M HN 0.214 nan 8.290 nan 0.000 0.425 415 Y N -0.688 119.600 120.300 -0.020 0.000 2.720 415 Y HA 0.477 5.026 4.550 -0.000 0.000 0.268 415 Y C 1.816 177.459 175.900 -0.429 0.000 1.142 415 Y CA -0.293 57.679 58.100 -0.213 0.000 1.193 415 Y CB -0.860 37.422 38.460 -0.297 0.000 1.176 415 Y HN 0.148 nan 8.280 nan 0.000 0.542 416 A N 0.998 123.611 122.820 -0.346 0.000 1.948 416 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 416 A C -0.403 176.915 177.584 -0.444 0.000 1.177 416 A CA 1.676 53.489 52.037 -0.374 0.000 0.636 416 A CB -1.367 17.437 19.000 -0.326 0.000 0.815 416 A HN 0.275 nan 8.150 nan 0.000 0.449 417 P HA 0.018 nan 4.420 nan 0.000 0.233 417 P C 0.654 177.716 177.300 -0.397 0.000 1.167 417 P CA 1.181 64.022 63.100 -0.432 0.000 0.770 417 P CB -0.445 31.014 31.700 -0.403 0.000 0.837 418 T N -2.687 111.620 114.554 -0.412 0.000 2.898 418 T HA 0.089 4.439 4.350 -0.000 0.000 0.301 418 T C 1.219 175.495 174.700 -0.708 0.000 1.049 418 T CA -0.612 61.181 62.100 -0.513 0.000 1.095 418 T CB 0.560 68.871 68.868 -0.929 0.000 0.976 418 T HN -0.070 nan 8.240 nan 0.000 0.539 419 L N 2.140 122.803 121.223 -0.933 0.000 2.012 419 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 419 L C 2.452 178.989 176.870 -0.556 0.000 1.073 419 L CA 1.691 55.951 54.840 -0.966 0.000 0.748 419 L CB -0.445 40.950 42.059 -1.106 0.000 0.891 419 L HN 0.944 nan 8.230 nan 0.000 0.431 420 W N -0.582 120.494 121.300 -0.373 0.000 2.453 420 W HA 0.080 4.740 4.660 -0.000 0.000 0.289 420 W C 2.104 178.484 176.519 -0.231 0.000 1.215 420 W CA 0.562 57.731 57.345 -0.293 0.000 1.297 420 W CB -1.177 28.149 29.460 -0.222 0.000 1.113 420 W HN 0.251 nan 8.180 nan 0.000 0.551 421 A N 1.901 124.303 122.820 -0.696 0.000 1.930 421 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 421 A C 2.244 179.694 177.584 -0.224 0.000 1.175 421 A CA 1.662 53.448 52.037 -0.418 0.000 0.627 421 A CB -0.703 17.930 19.000 -0.612 0.000 0.815 421 A HN 0.304 nan 8.150 nan 0.000 0.443 422 R N -1.370 118.916 120.500 -0.356 0.000 2.057 422 R HA 0.048 4.388 4.340 -0.000 0.000 0.229 422 R C 2.379 178.514 176.300 -0.276 0.000 1.136 422 R CA 1.496 57.408 56.100 -0.314 0.000 0.952 422 R CB -0.388 29.601 30.300 -0.519 0.000 0.848 422 R HN 0.628 nan 8.270 nan 0.000 0.430 423 M N 0.287 119.583 119.600 -0.506 0.000 2.132 423 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 423 M C 1.606 177.746 176.300 -0.267 0.000 1.065 423 M CA 1.837 56.875 55.300 -0.437 0.000 1.122 423 M CB 0.207 32.525 32.600 -0.470 0.000 1.365 423 M HN 0.107 nan 8.290 nan 0.000 0.411 424 I N -0.977 119.322 120.570 -0.452 0.000 2.962 424 I HA -0.106 4.063 4.170 -0.000 0.000 0.246 424 I C 2.043 177.994 176.117 -0.276 0.000 1.091 424 I CA 0.196 60.987 61.300 -0.847 0.000 1.469 424 I CB -0.285 37.239 38.000 -0.794 0.000 1.324 424 I HN 0.197 nan 8.210 nan 0.000 0.461 425 L N 0.281 121.519 121.223 0.026 0.000 2.017 425 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 425 L C 2.669 179.828 176.870 0.482 0.000 1.073 425 L CA 1.691 56.734 54.840 0.338 0.000 0.745 425 L CB -0.444 41.861 42.059 0.410 0.000 0.894 425 L HN 0.288 nan 8.230 nan 0.000 0.432 426 M N -0.960 118.888 119.600 0.413 0.000 2.086 426 M HA -0.178 4.302 4.480 -0.000 0.000 0.261 426 M C 2.326 179.114 176.300 0.813 0.000 1.067 426 M CA 2.039 57.695 55.300 0.593 0.000 1.116 426 M CB -0.636 32.128 32.600 0.273 0.000 1.348 426 M HN 0.252 nan 8.290 nan 0.000 0.407 427 T N -1.271 113.720 114.554 0.727 0.000 2.674 427 T HA -0.231 4.119 4.350 -0.000 0.000 0.265 427 T C 1.657 176.634 174.700 0.462 0.000 1.039 427 T CA 1.963 64.452 62.100 0.648 0.000 1.150 427 T CB -0.584 68.703 68.868 0.698 0.000 0.864 427 T HN 0.474 nan 8.240 nan 0.000 0.427 428 H N 0.377 119.615 119.070 0.279 0.000 2.293 428 H HA -0.027 4.529 4.556 -0.000 0.000 0.300 428 H C 1.795 177.008 175.328 -0.191 0.000 1.082 428 H CA 1.660 57.738 56.048 0.051 0.000 1.308 428 H CB -0.476 29.184 29.762 -0.170 0.000 1.375 428 H HN 0.342 nan 8.280 nan 0.000 0.495 429 F N -1.082 118.849 119.950 -0.030 0.000 2.259 429 F HA -0.003 4.523 4.527 -0.000 0.000 0.298 429 F C 1.932 177.585 175.800 -0.245 0.000 1.088 429 F CA 0.548 58.304 58.000 -0.406 0.000 1.358 429 F CB -0.493 37.925 39.000 -0.969 0.000 1.040 429 F HN 0.148 nan 8.300 nan 0.000 0.505 430 F N 0.336 120.390 119.950 0.172 0.000 2.234 430 F HA -0.194 4.332 4.527 -0.000 0.000 0.299 430 F C 2.751 178.568 175.800 0.028 0.000 1.087 430 F CA 1.343 59.444 58.000 0.167 0.000 1.340 430 F CB -0.936 38.258 39.000 0.323 0.000 1.031 430 F HN -0.023 nan 8.300 nan 0.000 0.500 431 S N 0.123 115.884 115.700 0.101 0.000 2.383 431 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 431 S C 1.981 176.529 174.600 -0.088 0.000 1.026 431 S CA 1.222 59.410 58.200 -0.019 0.000 0.981 431 S CB -0.913 62.258 63.200 -0.047 0.000 0.818 431 S HN 0.420 nan 8.310 nan 0.000 0.472 432 I N 1.239 121.701 120.570 -0.179 0.000 2.286 432 I HA -0.063 4.107 4.170 -0.000 0.000 0.245 432 I C 2.409 178.477 176.117 -0.081 0.000 1.104 432 I CA 0.929 62.123 61.300 -0.177 0.000 1.397 432 I CB -0.374 37.458 38.000 -0.282 0.000 1.072 432 I HN 0.261 nan 8.210 nan 0.000 0.417 433 L N 0.272 121.452 121.223 -0.073 0.000 2.083 433 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 433 L C 2.553 179.424 176.870 0.003 0.000 1.083 433 L CA 1.277 56.093 54.840 -0.039 0.000 0.752 433 L CB -0.524 41.464 42.059 -0.118 0.000 0.899 433 L HN 0.273 nan 8.230 nan 0.000 0.433 434 L N -0.307 120.931 121.223 0.025 0.000 1.994 434 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 434 L C 2.908 179.784 176.870 0.009 0.000 1.071 434 L CA 1.386 56.248 54.840 0.037 0.000 0.745 434 L CB -0.668 41.417 42.059 0.042 0.000 0.892 434 L HN 0.250 nan 8.230 nan 0.000 0.431 435 A N -0.735 122.077 122.820 -0.012 0.000 1.908 435 A HA -0.259 4.060 4.320 -0.000 0.000 0.218 435 A C 2.120 179.698 177.584 -0.009 0.000 1.181 435 A CA 1.691 53.716 52.037 -0.019 0.000 0.627 435 A CB -0.450 18.527 19.000 -0.039 0.000 0.818 435 A HN 0.542 nan 8.150 nan 0.000 0.445 436 Q N -1.117 118.679 119.800 -0.006 0.000 2.425 436 Q HA 0.053 4.393 4.340 -0.000 0.000 0.204 436 Q C -0.632 175.378 176.000 0.016 0.000 0.933 436 Q CA 0.288 56.094 55.803 0.005 0.000 0.939 436 Q CB 0.130 28.874 28.738 0.011 0.000 1.044 436 Q HN 0.702 nan 8.270 nan 0.000 0.513 437 E N 0.340 120.551 120.200 0.018 0.000 2.297 437 E HA -0.272 4.078 4.350 -0.000 0.000 0.228 437 E C -0.388 176.232 176.600 0.034 0.000 1.213 437 E CA 0.273 56.690 56.400 0.027 0.000 0.712 437 E CB -1.073 28.641 29.700 0.024 0.000 1.202 437 E HN 0.476 nan 8.360 nan 0.000 0.376 438 Q N -0.422 119.399 119.800 0.035 0.000 2.141 438 Q HA 0.222 4.562 4.340 -0.000 0.000 0.248 438 Q C 1.549 177.576 176.000 0.046 0.000 0.834 438 Q CA -0.257 55.572 55.803 0.043 0.000 1.096 438 Q CB 0.502 29.270 28.738 0.050 0.000 1.189 438 Q HN 0.363 nan 8.270 nan 0.000 0.471 439 L N 0.498 121.750 121.223 0.048 0.000 2.127 439 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 439 L C 1.849 178.763 176.870 0.073 0.000 1.089 439 L CA 1.133 56.008 54.840 0.059 0.000 0.757 439 L CB -0.096 42.028 42.059 0.108 0.000 0.899 439 L HN 0.285 nan 8.230 nan 0.000 0.434 440 E N 0.064 120.304 120.200 0.067 0.000 2.435 440 E HA -0.058 4.292 4.350 -0.000 0.000 0.195 440 E C 0.724 177.360 176.600 0.060 0.000 1.029 440 E CA 0.171 56.610 56.400 0.065 0.000 0.865 440 E CB 0.091 29.825 29.700 0.056 0.000 0.833 440 E HN 0.333 nan 8.360 nan 0.000 0.510 441 K N 1.768 122.204 120.400 0.059 0.000 2.316 441 K HA 0.290 4.610 4.320 -0.000 0.000 0.289 441 K C -0.432 176.204 176.600 0.060 0.000 1.070 441 K CA -0.217 56.105 56.287 0.059 0.000 0.928 441 K CB 0.714 33.250 32.500 0.061 0.000 1.039 441 K HN -0.132 nan 8.250 nan 0.000 0.480 442 A N 5.134 127.988 122.820 0.056 0.000 2.462 442 A HA 0.313 4.633 4.320 -0.000 0.000 0.243 442 A C -0.458 177.150 177.584 0.042 0.000 1.076 442 A CA -0.167 51.899 52.037 0.050 0.000 0.773 442 A CB 0.165 19.199 19.000 0.057 0.000 1.010 442 A HN 0.773 nan 8.150 nan 0.000 0.493 443 L N 1.514 122.742 121.223 0.008 0.000 2.341 443 L HA 0.398 4.738 4.340 -0.000 0.000 0.267 443 L C -0.872 175.972 176.870 -0.044 0.000 1.009 443 L CA -1.081 53.745 54.840 -0.024 0.000 0.819 443 L CB 2.056 44.060 42.059 -0.092 0.000 1.323 443 L HN 0.570 nan 8.230 nan 0.000 0.425 444 D N 1.095 121.480 120.400 -0.024 0.000 2.304 444 D HA 0.493 5.133 4.640 -0.000 0.000 0.250 444 D C -0.514 175.720 176.300 -0.110 0.000 1.107 444 D CA 0.051 54.043 54.000 -0.013 0.000 0.885 444 D CB 1.372 42.210 40.800 0.064 0.000 1.192 444 D HN 0.614 nan 8.370 nan 0.000 0.436 445 C N 0.292 119.525 119.300 -0.112 0.000 3.318 445 C HA 0.640 5.100 4.460 -0.000 0.000 0.322 445 C C -1.015 173.917 174.990 -0.098 0.000 1.398 445 C CA -0.954 57.966 59.018 -0.163 0.000 1.339 445 C CB 1.180 28.756 27.740 -0.273 0.000 1.668 445 C HN 0.494 nan 8.230 nan 0.000 0.462 446 Q N 0.591 120.334 119.800 -0.095 0.000 2.316 446 Q HA 0.758 5.098 4.340 -0.000 0.000 0.264 446 Q C -1.241 174.722 176.000 -0.062 0.000 0.987 446 Q CA -0.286 55.494 55.803 -0.040 0.000 0.852 446 Q CB 2.164 30.892 28.738 -0.017 0.000 1.287 446 Q HN 0.701 nan 8.270 nan 0.000 0.448 447 I N 2.738 123.297 120.570 -0.019 0.000 2.447 447 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 447 I C -0.988 175.186 176.117 0.096 0.000 1.023 447 I CA -0.829 60.388 61.300 -0.138 0.000 1.083 447 I CB 1.110 38.754 38.000 -0.594 0.000 1.245 447 I HN 0.642 nan 8.210 nan 0.000 0.434 448 Y N 5.230 125.600 120.300 0.117 0.000 3.491 448 Y HA -0.261 4.289 4.550 -0.000 0.000 0.215 448 Y C 1.494 177.401 175.900 0.012 0.000 1.219 448 Y CA 1.115 59.287 58.100 0.121 0.000 1.485 448 Y CB -1.957 36.597 38.460 0.157 0.000 1.450 448 Y HN 0.991 nan 8.280 nan 0.000 0.603 449 G N -2.208 106.701 108.800 0.181 0.000 2.253 449 G HA2 -0.037 3.922 3.960 -0.000 0.000 0.251 449 G HA3 -0.037 3.922 3.960 -0.000 0.000 0.251 449 G C 0.465 175.399 174.900 0.057 0.000 0.998 449 G CA 0.169 45.326 45.100 0.095 0.000 0.621 449 G HN 1.559 nan 8.290 nan 0.000 0.524 450 A N -0.394 122.469 122.820 0.071 0.000 2.327 450 A HA 0.638 4.958 4.320 -0.000 0.000 0.283 450 A C 0.599 178.008 177.584 -0.292 0.000 1.127 450 A CA 0.392 52.316 52.037 -0.188 0.000 0.810 450 A CB 0.751 19.592 19.000 -0.266 0.000 1.066 450 A HN 0.999 nan 8.150 nan 0.000 0.492 451 C N 1.360 120.396 119.300 -0.441 0.000 2.388 451 C HA 0.671 5.131 4.460 -0.000 0.000 0.362 451 C C -0.584 173.984 174.990 -0.703 0.000 1.266 451 C CA -0.144 58.678 59.018 -0.326 0.000 2.028 451 C CB -1.156 26.553 27.740 -0.052 0.000 2.440 451 C HN 0.710 nan 8.230 nan 0.000 0.547 452 Y N 0.599 120.707 120.300 -0.321 0.000 2.512 452 Y HA 0.444 4.994 4.550 -0.000 0.000 0.348 452 Y C 0.298 176.063 175.900 -0.225 0.000 0.990 452 Y CA -0.445 57.426 58.100 -0.383 0.000 1.033 452 Y CB 1.584 39.794 38.460 -0.417 0.000 1.259 452 Y HN 0.551 nan 8.280 nan 0.000 0.461 453 S N 3.996 119.681 115.700 -0.024 0.000 2.430 453 S HA 0.643 5.113 4.470 -0.000 0.000 0.289 453 S C -1.018 173.615 174.600 0.055 0.000 1.143 453 S CA -0.437 57.795 58.200 0.054 0.000 1.067 453 S CB -0.314 62.955 63.200 0.114 0.000 0.964 453 S HN 0.446 nan 8.310 nan 0.000 0.485 454 I N 4.118 124.700 120.570 0.021 0.000 2.498 454 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 454 I C 0.104 176.240 176.117 0.031 0.000 1.032 454 I CA -0.651 60.668 61.300 0.032 0.000 1.073 454 I CB 1.894 39.882 38.000 -0.020 0.000 1.251 454 I HN 0.684 nan 8.210 nan 0.000 0.426 455 E N 7.181 127.419 120.200 0.064 0.000 2.180 455 E HA 0.175 4.525 4.350 -0.000 0.000 0.283 455 E C -1.585 175.072 176.600 0.095 0.000 1.061 455 E CA -1.438 55.005 56.400 0.072 0.000 0.861 455 E CB 1.221 30.968 29.700 0.077 0.000 1.056 455 E HN 0.301 nan 8.360 nan 0.000 0.407 456 P HA -0.184 nan 4.420 nan 0.000 0.217 456 P C 0.962 178.420 177.300 0.265 0.000 1.148 456 P CA 1.085 64.274 63.100 0.148 0.000 0.828 456 P CB 0.221 31.949 31.700 0.046 0.000 0.783 457 L N -1.014 120.335 121.223 0.210 0.000 2.362 457 L HA -0.109 4.230 4.340 -0.000 0.000 0.219 457 L C 1.249 178.221 176.870 0.170 0.000 1.134 457 L CA 1.085 56.061 54.840 0.227 0.000 0.807 457 L CB -0.662 41.495 42.059 0.164 0.000 0.927 457 L HN -0.065 nan 8.230 nan 0.000 0.447 458 D N -0.414 120.073 120.400 0.146 0.000 2.340 458 D HA 0.010 4.650 4.640 -0.000 0.000 0.220 458 D C 2.213 178.590 176.300 0.129 0.000 1.039 458 D CA 0.319 54.383 54.000 0.107 0.000 0.866 458 D CB 0.242 41.095 40.800 0.088 0.000 0.913 458 D HN 0.243 nan 8.370 nan 0.000 0.523 459 L N 0.894 122.235 121.223 0.196 0.000 2.042 459 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 459 L C -0.476 176.510 176.870 0.192 0.000 1.076 459 L CA 1.492 56.466 54.840 0.225 0.000 0.749 459 L CB -1.356 40.902 42.059 0.332 0.000 0.893 459 L HN 0.066 nan 8.230 nan 0.000 0.432 460 P HA -0.236 nan 4.420 nan 0.000 0.214 460 P C 1.446 178.800 177.300 0.089 0.000 1.163 460 P CA 1.448 64.572 63.100 0.041 0.000 0.889 460 P CB -0.192 31.363 31.700 -0.240 0.000 0.790 461 Q N -0.394 119.403 119.800 -0.005 0.000 2.167 461 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 461 Q C 2.161 178.171 176.000 0.017 0.000 0.970 461 Q CA 1.483 57.277 55.803 -0.014 0.000 0.855 461 Q CB -1.335 27.373 28.738 -0.050 0.000 0.911 461 Q HN 0.285 nan 8.270 nan 0.000 0.438 462 I N 1.036 121.635 120.570 0.048 0.000 2.179 462 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 462 I C 2.494 178.663 176.117 0.087 0.000 1.088 462 I CA 1.207 62.533 61.300 0.044 0.000 1.357 462 I CB -0.235 37.851 38.000 0.143 0.000 1.051 462 I HN 0.103 nan 8.210 nan 0.000 0.409 463 I N 0.362 121.031 120.570 0.167 0.000 2.179 463 I HA -0.298 3.871 4.170 -0.000 0.000 0.242 463 I C 2.635 178.783 176.117 0.052 0.000 1.088 463 I CA 1.439 62.842 61.300 0.170 0.000 1.357 463 I CB -0.413 37.681 38.000 0.157 0.000 1.051 463 I HN 0.288 nan 8.210 nan 0.000 0.409 464 E N 1.060 121.318 120.200 0.096 0.000 2.058 464 E HA -0.313 4.037 4.350 -0.000 0.000 0.194 464 E C 2.311 178.908 176.600 -0.006 0.000 0.997 464 E CA 1.383 57.816 56.400 0.056 0.000 0.801 464 E CB 0.025 29.811 29.700 0.143 0.000 0.746 464 E HN 0.145 nan 8.360 nan 0.000 0.450 465 R N 0.263 120.747 120.500 -0.027 0.000 2.092 465 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 465 R C 2.190 178.426 176.300 -0.107 0.000 1.119 465 R CA 0.968 57.024 56.100 -0.074 0.000 0.970 465 R CB -0.536 29.695 30.300 -0.115 0.000 0.864 465 R HN 0.282 nan 8.270 nan 0.000 0.440 466 L N -0.922 120.222 121.223 -0.131 0.000 2.127 466 L HA 0.029 4.369 4.340 -0.000 0.000 0.203 466 L C 1.360 177.967 176.870 -0.438 0.000 1.080 466 L CA 1.749 56.422 54.840 -0.280 0.000 0.768 466 L CB -0.153 41.726 42.059 -0.300 0.000 0.924 466 L HN 0.309 nan 8.230 nan 0.000 0.444 467 H N -1.400 117.613 119.070 -0.095 0.000 3.046 467 H HA 0.470 5.026 4.556 -0.000 0.000 0.262 467 H C 0.883 176.132 175.328 -0.131 0.000 1.044 467 H CA 0.513 56.488 56.048 -0.122 0.000 1.209 467 H CB 0.490 30.151 29.762 -0.167 0.000 1.507 467 H HN 0.259 nan 8.280 nan 0.000 0.507 468 G N 1.056 109.838 108.800 -0.030 0.000 2.758 468 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.686 468 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.686 468 G C 0.691 175.538 174.900 -0.088 0.000 1.389 468 G CA -0.165 44.913 45.100 -0.036 0.000 0.845 468 G HN 0.222 nan 8.290 nan 0.000 0.572 469 L N 1.061 122.288 121.223 0.007 0.000 2.261 469 L HA -0.117 4.223 4.340 -0.000 0.000 0.216 469 L C 3.176 180.058 176.870 0.020 0.000 1.114 469 L CA 2.155 57.057 54.840 0.104 0.000 0.777 469 L CB -0.476 41.710 42.059 0.212 0.000 0.910 469 L HN 0.915 nan 8.230 nan 0.000 0.440 470 S N -0.070 115.607 115.700 -0.039 0.000 2.442 470 S HA -0.181 4.289 4.470 -0.000 0.000 0.236 470 S C 2.146 176.658 174.600 -0.147 0.000 1.007 470 S CA 0.790 58.958 58.200 -0.054 0.000 0.965 470 S CB -0.414 62.751 63.200 -0.059 0.000 0.773 470 S HN 0.381 nan 8.310 nan 0.000 0.504 471 A N 0.943 123.577 122.820 -0.310 0.000 2.024 471 A HA 0.080 4.400 4.320 -0.000 0.000 0.220 471 A C 1.542 178.903 177.584 -0.372 0.000 1.164 471 A CA 1.208 52.978 52.037 -0.444 0.000 0.643 471 A CB -0.887 17.740 19.000 -0.623 0.000 0.806 471 A HN 0.608 nan 8.150 nan 0.000 0.451 472 F N -0.101 119.866 119.950 0.028 0.000 2.765 472 F HA 0.133 4.660 4.527 0.000 0.000 0.302 472 F C 1.764 177.610 175.800 0.077 0.000 1.111 472 F CA 0.588 58.628 58.000 0.066 0.000 1.359 472 F CB 0.037 39.109 39.000 0.120 0.000 1.097 472 F HN 0.247 nan 8.300 nan 0.000 0.577 473 S N -1.598 114.200 115.700 0.164 0.000 2.893 473 S HA 0.302 4.772 4.470 -0.000 0.000 0.258 473 S C 0.101 174.771 174.600 0.115 0.000 1.034 473 S CA -0.370 57.920 58.200 0.151 0.000 1.167 473 S CB -0.521 62.761 63.200 0.136 0.000 1.137 473 S HN 0.048 nan 8.310 nan 0.000 0.650 474 L N 3.374 124.585 121.223 -0.021 0.000 2.485 474 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 474 L C 0.592 177.361 176.870 -0.168 0.000 1.207 474 L CA 0.322 55.036 54.840 -0.210 0.000 0.855 474 L CB -0.025 41.772 42.059 -0.437 0.000 1.114 474 L HN 0.656 nan 8.230 nan 0.000 0.485 475 H N -1.584 117.258 119.070 -0.381 0.000 2.918 475 H HA 0.376 4.932 4.556 -0.000 0.000 0.303 475 H C -0.349 174.794 175.328 -0.308 0.000 1.380 475 H CA -0.858 55.029 56.048 -0.269 0.000 1.134 475 H CB 1.047 30.773 29.762 -0.059 0.000 1.842 475 H HN 0.384 nan 8.280 nan 0.000 0.533 476 S N -0.348 115.324 115.700 -0.046 0.000 3.572 476 S HA -0.227 4.243 4.470 -0.000 0.000 0.394 476 S C -0.666 173.912 174.600 -0.037 0.000 0.923 476 S CA 0.418 58.616 58.200 -0.004 0.000 1.291 476 S CB -2.361 60.790 63.200 -0.083 0.000 0.914 476 S HN 0.517 nan 8.310 nan 0.000 0.545 477 Y N 1.717 122.048 120.300 0.051 0.000 2.385 477 Y HA 0.297 4.847 4.550 -0.000 0.000 0.346 477 Y C 1.430 177.386 175.900 0.094 0.000 1.270 477 Y CA 0.391 58.533 58.100 0.070 0.000 1.472 477 Y CB 0.383 38.879 38.460 0.059 0.000 1.354 477 Y HN 0.547 nan 8.280 nan 0.000 0.611 478 S N 1.318 117.179 115.700 0.269 0.000 2.579 478 S HA 0.113 4.583 4.470 -0.000 0.000 0.275 478 S C -2.007 172.679 174.600 0.143 0.000 1.345 478 S CA -1.093 57.206 58.200 0.165 0.000 1.031 478 S CB 1.156 64.432 63.200 0.128 0.000 0.892 478 S HN 0.439 nan 8.310 nan 0.000 0.529 479 P HA -0.002 nan 4.420 nan 0.000 0.216 479 P C 1.705 179.048 177.300 0.072 0.000 1.150 479 P CA 1.631 64.781 63.100 0.083 0.000 0.837 479 P CB -0.429 31.310 31.700 0.064 0.000 0.786 480 G N -0.138 108.701 108.800 0.066 0.000 2.418 480 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.217 480 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.217 480 G C 1.663 176.596 174.900 0.055 0.000 1.158 480 G CA 0.856 45.985 45.100 0.049 0.000 0.771 480 G HN 0.261 nan 8.290 nan 0.000 0.545 481 E N 0.689 120.942 120.200 0.088 0.000 2.047 481 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 481 E C 2.434 179.084 176.600 0.083 0.000 0.987 481 E CA 0.776 57.240 56.400 0.106 0.000 0.799 481 E CB -0.399 29.420 29.700 0.199 0.000 0.752 481 E HN 0.486 nan 8.360 nan 0.000 0.449 482 I N 0.761 121.388 120.570 0.095 0.000 2.208 482 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 482 I C 2.276 178.420 176.117 0.046 0.000 1.097 482 I CA 1.430 62.771 61.300 0.069 0.000 1.363 482 I CB -0.431 37.624 38.000 0.091 0.000 1.051 482 I HN 0.213 nan 8.210 nan 0.000 0.413 483 N N 1.061 119.788 118.700 0.045 0.000 2.120 483 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 483 N C 1.974 177.493 175.510 0.014 0.000 1.024 483 N CA 1.346 54.415 53.050 0.031 0.000 0.852 483 N CB -0.118 38.387 38.487 0.031 0.000 1.003 483 N HN 0.141 nan 8.380 nan 0.000 0.424 484 R N -0.228 120.276 120.500 0.007 0.000 2.073 484 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 484 R C 1.802 178.076 176.300 -0.044 0.000 1.134 484 R CA 1.373 57.460 56.100 -0.022 0.000 0.952 484 R CB -0.337 29.943 30.300 -0.032 0.000 0.850 484 R HN 0.087 nan 8.270 nan 0.000 0.433 485 V N 1.192 121.086 119.914 -0.033 0.000 2.295 485 V HA -0.247 3.872 4.120 -0.000 0.000 0.246 485 V C 2.511 178.596 176.094 -0.015 0.000 1.049 485 V CA 1.930 64.203 62.300 -0.045 0.000 1.024 485 V CB -0.871 30.947 31.823 -0.009 0.000 0.648 485 V HN 0.571 nan 8.190 nan 0.000 0.447 486 A N -0.268 122.557 122.820 0.010 0.000 1.892 486 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 486 A C 2.495 180.092 177.584 0.022 0.000 1.188 486 A CA 2.552 54.605 52.037 0.026 0.000 0.631 486 A CB -0.848 18.173 19.000 0.033 0.000 0.822 486 A HN 0.516 nan 8.150 nan 0.000 0.447 487 S N -1.419 114.286 115.700 0.009 0.000 2.368 487 S HA -0.214 4.255 4.470 -0.000 0.000 0.225 487 S C 2.057 176.661 174.600 0.007 0.000 1.030 487 S CA 1.245 59.450 58.200 0.009 0.000 0.999 487 S CB -0.896 62.304 63.200 -0.001 0.000 0.844 487 S HN 0.801 nan 8.310 nan 0.000 0.459 488 C N 2.091 121.381 119.300 -0.018 0.000 2.432 488 C HA -0.017 4.442 4.460 -0.000 0.000 0.277 488 C C 2.428 177.423 174.990 0.009 0.000 1.249 488 C CA 0.655 59.656 59.018 -0.028 0.000 1.725 488 C CB -1.612 26.071 27.740 -0.095 0.000 2.028 488 C HN 0.577 nan 8.230 nan 0.000 0.477 489 L N 0.397 121.632 121.223 0.021 0.000 2.083 489 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 489 L C 2.995 179.906 176.870 0.068 0.000 1.083 489 L CA 1.882 56.755 54.840 0.055 0.000 0.752 489 L CB -1.006 41.099 42.059 0.078 0.000 0.899 489 L HN 0.414 nan 8.230 nan 0.000 0.433 490 R N 1.034 121.575 120.500 0.068 0.000 2.073 490 R HA -0.211 4.129 4.340 -0.000 0.000 0.234 490 R C 2.428 178.813 176.300 0.142 0.000 1.134 490 R CA 1.810 57.965 56.100 0.091 0.000 0.952 490 R CB -0.098 30.242 30.300 0.067 0.000 0.850 490 R HN 0.230 nan 8.270 nan 0.000 0.433 491 K N 0.402 120.865 120.400 0.106 0.000 2.026 491 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 491 K C 1.954 178.683 176.600 0.215 0.000 1.048 491 K CA 1.453 57.809 56.287 0.115 0.000 0.929 491 K CB -0.054 32.482 32.500 0.060 0.000 0.713 491 K HN 0.238 nan 8.250 nan 0.000 0.439 492 L N -0.407 120.915 121.223 0.165 0.000 2.446 492 L HA 0.138 4.478 4.340 -0.000 0.000 0.219 492 L C 0.801 177.706 176.870 0.058 0.000 1.116 492 L CA 0.442 55.374 54.840 0.154 0.000 0.844 492 L CB 0.192 42.298 42.059 0.078 0.000 0.970 492 L HN 0.600 nan 8.230 nan 0.000 0.457 493 G N 1.058 109.845 108.800 -0.022 0.000 2.291 493 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.271 493 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.271 493 G C -0.171 174.640 174.900 -0.147 0.000 1.099 493 G CA -0.071 44.813 45.100 -0.361 0.000 0.919 493 G HN 0.064 nan 8.290 nan 0.000 0.496 494 V N 0.775 120.692 119.914 0.006 0.000 2.509 494 V HA 0.435 4.555 4.120 -0.000 0.000 0.284 494 V C -1.116 175.071 176.094 0.155 0.000 1.047 494 V CA -1.563 60.813 62.300 0.126 0.000 0.952 494 V CB 1.531 33.467 31.823 0.188 0.000 0.988 494 V HN 0.240 nan 8.190 nan 0.000 0.469 495 P HA 0.112 nan 4.420 nan 0.000 0.266 495 P C -2.424 174.986 177.300 0.184 0.000 1.193 495 P CA -0.551 62.548 63.100 -0.001 0.000 0.770 495 P CB -0.106 31.356 31.700 -0.398 0.000 0.836 496 P HA 0.032 nan 4.420 nan 0.000 0.277 496 P C 0.752 178.216 177.300 0.273 0.000 1.271 496 P CA -0.421 62.786 63.100 0.179 0.000 0.795 496 P CB 0.627 32.382 31.700 0.092 0.000 1.101 497 L N 1.635 123.025 121.223 0.277 0.000 2.051 497 L HA -0.227 4.113 4.340 -0.000 0.000 0.214 497 L C 2.817 179.863 176.870 0.293 0.000 1.076 497 L CA 2.212 57.244 54.840 0.319 0.000 0.758 497 L CB -1.207 40.986 42.059 0.223 0.000 0.890 497 L HN 0.410 nan 8.230 nan 0.000 0.433 498 R N -1.430 119.177 120.500 0.179 0.000 2.105 498 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 498 R C 1.851 178.215 176.300 0.108 0.000 1.135 498 R CA 1.849 58.029 56.100 0.133 0.000 0.967 498 R CB -1.379 28.962 30.300 0.069 0.000 0.861 498 R HN 0.344 nan 8.270 nan 0.000 0.442 499 V N 0.516 120.443 119.914 0.022 0.000 2.307 499 V HA -0.176 3.944 4.120 -0.000 0.000 0.245 499 V C 2.068 178.117 176.094 -0.075 0.000 1.045 499 V CA 1.823 64.053 62.300 -0.117 0.000 1.024 499 V CB -0.718 30.914 31.823 -0.320 0.000 0.651 499 V HN 0.385 nan 8.190 nan 0.000 0.449 500 W N 0.127 121.536 121.300 0.181 0.000 2.363 500 W HA -0.130 4.530 4.660 -0.000 0.000 0.296 500 W C 2.758 179.468 176.519 0.318 0.000 1.212 500 W CA 1.522 59.019 57.345 0.254 0.000 1.260 500 W CB -0.292 29.335 29.460 0.279 0.000 1.131 500 W HN 0.046 nan 8.180 nan 0.000 0.530 501 R N -0.236 120.570 120.500 0.511 0.000 2.073 501 R HA -0.215 4.124 4.340 -0.000 0.000 0.234 501 R C 2.343 178.719 176.300 0.127 0.000 1.134 501 R CA 1.867 58.161 56.100 0.324 0.000 0.952 501 R CB -0.989 29.496 30.300 0.308 0.000 0.850 501 R HN 0.297 nan 8.270 nan 0.000 0.433 502 H N 0.648 119.747 119.070 0.049 0.000 2.319 502 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 502 H C 1.961 177.264 175.328 -0.043 0.000 1.092 502 H CA 2.065 58.101 56.048 -0.020 0.000 1.302 502 H CB 0.142 29.882 29.762 -0.036 0.000 1.373 502 H HN 0.201 nan 8.280 nan 0.000 0.497 503 R N 0.005 120.532 120.500 0.045 0.000 2.096 503 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 503 R C 2.635 178.880 176.300 -0.092 0.000 1.127 503 R CA 1.007 57.096 56.100 -0.017 0.000 0.968 503 R CB -0.189 30.154 30.300 0.070 0.000 0.861 503 R HN 0.298 nan 8.270 nan 0.000 0.440 504 A N 1.138 123.932 122.820 -0.044 0.000 1.930 504 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 504 A C 2.056 179.378 177.584 -0.435 0.000 1.175 504 A CA 1.095 52.973 52.037 -0.266 0.000 0.627 504 A CB -0.276 18.617 19.000 -0.178 0.000 0.815 504 A HN 0.198 nan 8.150 nan 0.000 0.443 505 R N -0.626 119.676 120.500 -0.330 0.000 2.081 505 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 505 R C 2.637 178.758 176.300 -0.299 0.000 1.131 505 R CA 1.486 57.402 56.100 -0.307 0.000 0.960 505 R CB -0.373 29.777 30.300 -0.251 0.000 0.856 505 R HN 0.555 nan 8.270 nan 0.000 0.436 506 S N 0.186 115.696 115.700 -0.317 0.000 2.368 506 S HA -0.085 4.385 4.470 -0.000 0.000 0.224 506 S C 2.038 176.496 174.600 -0.237 0.000 1.029 506 S CA 1.084 59.126 58.200 -0.263 0.000 0.988 506 S CB -0.116 62.924 63.200 -0.267 0.000 0.838 506 S HN 0.109 nan 8.310 nan 0.000 0.462 507 V N 2.554 122.289 119.914 -0.298 0.000 2.287 507 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 507 V C 2.764 178.640 176.094 -0.363 0.000 1.053 507 V CA 2.330 64.431 62.300 -0.332 0.000 1.027 507 V CB -0.820 30.706 31.823 -0.496 0.000 0.646 507 V HN 0.526 nan 8.190 nan 0.000 0.447 508 R N 0.172 120.386 120.500 -0.476 0.000 2.073 508 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 508 R C 2.307 178.509 176.300 -0.162 0.000 1.134 508 R CA 1.815 57.732 56.100 -0.305 0.000 0.952 508 R CB -0.503 29.637 30.300 -0.268 0.000 0.850 508 R HN 0.474 nan 8.270 nan 0.000 0.433 509 A N 1.106 123.827 122.820 -0.165 0.000 1.908 509 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 509 A C 2.219 179.754 177.584 -0.081 0.000 1.181 509 A CA 1.535 53.505 52.037 -0.112 0.000 0.627 509 A CB -0.459 18.471 19.000 -0.118 0.000 0.818 509 A HN 0.388 nan 8.150 nan 0.000 0.445 510 R N -0.730 119.718 120.500 -0.086 0.000 2.075 510 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 510 R C 2.101 178.390 176.300 -0.018 0.000 1.126 510 R CA 1.354 57.425 56.100 -0.049 0.000 0.963 510 R CB -0.502 29.769 30.300 -0.048 0.000 0.858 510 R HN 0.506 nan 8.270 nan 0.000 0.435 511 L N 0.640 121.854 121.223 -0.015 0.000 2.012 511 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 511 L C 2.393 179.277 176.870 0.023 0.000 1.073 511 L CA 1.309 56.169 54.840 0.034 0.000 0.748 511 L CB -0.454 41.639 42.059 0.057 0.000 0.891 511 L HN 0.212 nan 8.230 nan 0.000 0.431 512 L N -0.437 120.783 121.223 -0.005 0.000 2.042 512 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 512 L C 2.856 179.724 176.870 -0.004 0.000 1.076 512 L CA 1.646 56.482 54.840 -0.007 0.000 0.749 512 L CB -0.677 41.365 42.059 -0.028 0.000 0.893 512 L HN 0.431 nan 8.230 nan 0.000 0.432 513 S N -0.890 114.803 115.700 -0.011 0.000 2.442 513 S HA -0.222 4.248 4.470 -0.000 0.000 0.236 513 S C 1.725 176.327 174.600 0.004 0.000 1.007 513 S CA 0.969 59.164 58.200 -0.008 0.000 0.965 513 S CB -0.239 62.951 63.200 -0.016 0.000 0.773 513 S HN 0.532 nan 8.310 nan 0.000 0.504 514 Q N 0.744 120.553 119.800 0.015 0.000 2.408 514 Q HA 0.352 4.692 4.340 -0.000 0.000 0.205 514 Q C 1.259 177.276 176.000 0.028 0.000 0.919 514 Q CA 0.147 55.965 55.803 0.025 0.000 0.932 514 Q CB 0.122 28.882 28.738 0.038 0.000 1.058 514 Q HN 0.732 nan 8.270 nan 0.000 0.517 515 G N 0.297 109.113 108.800 0.027 0.000 2.752 515 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.234 515 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.234 515 G C 0.431 175.355 174.900 0.039 0.000 1.367 515 G CA -0.379 44.737 45.100 0.028 0.000 0.879 515 G HN 0.741 nan 8.290 nan 0.000 0.563 516 G N -1.042 107.780 108.800 0.036 0.000 2.574 516 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.282 516 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.282 516 G C 1.130 176.061 174.900 0.051 0.000 1.257 516 G CA 1.329 46.454 45.100 0.041 0.000 0.956 516 G HN 1.495 nan 8.290 nan 0.000 0.560 517 R N 0.193 120.728 120.500 0.058 0.000 2.120 517 R HA 0.025 4.365 4.340 -0.000 0.000 0.234 517 R C 3.219 179.578 176.300 0.099 0.000 1.123 517 R CA 1.927 58.069 56.100 0.070 0.000 0.975 517 R CB -0.615 29.730 30.300 0.075 0.000 0.866 517 R HN 0.723 nan 8.270 nan 0.000 0.446 518 A N 1.602 124.489 122.820 0.111 0.000 1.892 518 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 518 A C 2.432 180.080 177.584 0.106 0.000 1.188 518 A CA 1.939 54.059 52.037 0.138 0.000 0.631 518 A CB -0.756 18.317 19.000 0.122 0.000 0.822 518 A HN 0.408 nan 8.150 nan 0.000 0.447 519 A N -1.187 121.678 122.820 0.074 0.000 1.902 519 A HA -0.102 4.217 4.320 -0.000 0.000 0.217 519 A C 2.297 179.921 177.584 0.067 0.000 1.181 519 A CA 2.358 54.428 52.037 0.055 0.000 0.623 519 A CB -1.354 17.669 19.000 0.039 0.000 0.818 519 A HN 0.459 nan 8.150 nan 0.000 0.443 520 T N -0.720 113.882 114.554 0.081 0.000 2.759 520 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 520 T C 1.891 176.650 174.700 0.099 0.000 1.042 520 T CA 1.559 63.728 62.100 0.115 0.000 1.140 520 T CB -0.725 68.170 68.868 0.044 0.000 0.864 520 T HN 0.588 nan 8.240 nan 0.000 0.455 521 C N 1.323 120.657 119.300 0.056 0.000 2.432 521 C HA 0.021 4.480 4.460 -0.000 0.000 0.277 521 C C 3.124 178.118 174.990 0.007 0.000 1.249 521 C CA 0.550 59.557 59.018 -0.017 0.000 1.725 521 C CB -1.535 26.214 27.740 0.015 0.000 2.028 521 C HN 0.730 nan 8.230 nan 0.000 0.477 522 G N 0.109 108.960 108.800 0.085 0.000 2.418 522 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 522 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 522 G C 1.629 176.576 174.900 0.079 0.000 1.158 522 G CA 1.203 46.386 45.100 0.138 0.000 0.771 522 G HN 0.652 nan 8.290 nan 0.000 0.545 523 K N -0.877 119.529 120.400 0.009 0.000 2.001 523 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 523 K C 2.235 178.691 176.600 -0.240 0.000 1.048 523 K CA 1.171 57.392 56.287 -0.110 0.000 0.932 523 K CB -0.290 32.138 32.500 -0.120 0.000 0.715 523 K HN 0.385 nan 8.250 nan 0.000 0.437 524 Y N 0.878 120.991 120.300 -0.311 0.000 2.201 524 Y HA -0.003 4.547 4.550 -0.000 0.000 0.292 524 Y C 2.068 177.628 175.900 -0.566 0.000 1.119 524 Y CA 0.900 58.623 58.100 -0.628 0.000 1.127 524 Y CB -0.125 37.697 38.460 -1.063 0.000 1.019 524 Y HN -0.047 nan 8.280 nan 0.000 0.514 525 L N -1.713 119.311 121.223 -0.331 0.000 2.201 525 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 525 L C 0.769 177.326 176.870 -0.522 0.000 1.105 525 L CA 1.353 55.920 54.840 -0.455 0.000 0.775 525 L CB -0.380 41.147 42.059 -0.886 0.000 0.913 525 L HN 0.190 nan 8.230 nan 0.000 0.440 526 F N -1.749 118.168 119.950 -0.055 0.000 2.698 526 F HA 0.184 4.711 4.527 -0.000 0.000 0.304 526 F C 1.648 177.194 175.800 -0.424 0.000 1.108 526 F CA -0.442 57.370 58.000 -0.314 0.000 1.263 526 F CB -0.504 38.297 39.000 -0.332 0.000 1.013 526 F HN -0.089 nan 8.300 nan 0.000 0.532 527 N N 1.358 120.012 118.700 -0.078 0.000 2.205 527 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 527 N C 2.035 177.531 175.510 -0.022 0.000 1.015 527 N CA 1.885 54.893 53.050 -0.069 0.000 0.862 527 N CB -0.258 38.199 38.487 -0.051 0.000 0.986 527 N HN 0.544 nan 8.380 nan 0.000 0.429 528 W N -0.168 121.176 121.300 0.072 0.000 2.364 528 W HA -0.000 4.660 4.660 0.000 0.000 0.281 528 W C 1.261 177.839 176.519 0.098 0.000 1.219 528 W CA 0.849 58.246 57.345 0.087 0.000 1.220 528 W CB -0.930 28.596 29.460 0.108 0.000 1.127 528 W HN 0.080 nan 8.180 nan 0.000 0.556 529 A N 1.287 123.727 122.820 -0.633 0.000 2.218 529 A HA 0.256 4.576 4.320 -0.000 0.000 0.209 529 A C 0.896 178.333 177.584 -0.246 0.000 1.168 529 A CA 0.908 52.557 52.037 -0.647 0.000 0.804 529 A CB -0.738 17.602 19.000 -1.099 0.000 0.834 529 A HN 0.153 nan 8.150 nan 0.000 0.482 530 V N -3.571 116.245 119.914 -0.163 0.000 2.667 530 V HA 0.572 4.692 4.120 -0.000 0.000 0.308 530 V C 0.618 176.686 176.094 -0.042 0.000 1.048 530 V CA -0.872 61.369 62.300 -0.098 0.000 0.928 530 V CB 1.670 33.427 31.823 -0.109 0.000 1.004 530 V HN 0.166 nan 8.190 nan 0.000 0.444 531 K N 1.438 121.819 120.400 -0.032 0.000 2.007 531 K HA 0.073 4.393 4.320 -0.000 0.000 0.206 531 K C 0.990 177.574 176.600 -0.026 0.000 1.047 531 K CA 1.545 57.821 56.287 -0.018 0.000 0.937 531 K CB -0.411 32.081 32.500 -0.013 0.000 0.718 531 K HN 0.856 nan 8.250 nan 0.000 0.438 532 T N 3.260 117.793 114.554 -0.035 0.000 2.987 532 T HA 0.110 4.460 4.350 -0.000 0.000 0.288 532 T C -0.301 174.370 174.700 -0.048 0.000 0.981 532 T CA -0.241 61.836 62.100 -0.038 0.000 1.031 532 T CB 0.013 68.858 68.868 -0.038 0.000 0.976 532 T HN 0.006 nan 8.240 nan 0.000 0.612 533 K N 2.853 123.226 120.400 -0.044 0.000 2.355 533 K HA 0.272 4.592 4.320 -0.000 0.000 0.270 533 K C 0.199 176.759 176.600 -0.068 0.000 1.003 533 K CA -0.262 55.993 56.287 -0.053 0.000 0.957 533 K CB 0.984 33.461 32.500 -0.039 0.000 0.939 533 K HN 0.468 nan 8.250 nan 0.000 0.482 534 L N 1.751 122.916 121.223 -0.096 0.000 2.360 534 L HA 0.246 4.586 4.340 -0.000 0.000 0.271 534 L C 0.744 177.537 176.870 -0.129 0.000 1.057 534 L CA -0.629 54.141 54.840 -0.117 0.000 0.803 534 L CB 0.934 42.898 42.059 -0.157 0.000 1.207 534 L HN 0.612 nan 8.230 nan 0.000 0.445 535 K N 3.646 123.979 120.400 -0.112 0.000 2.349 535 K HA 0.461 4.781 4.320 -0.000 0.000 0.288 535 K C -0.572 175.936 176.600 -0.153 0.000 1.058 535 K CA -0.161 56.070 56.287 -0.093 0.000 0.953 535 K CB -0.247 32.223 32.500 -0.051 0.000 0.997 535 K HN 0.546 nan 8.250 nan 0.000 0.477 536 L N 4.277 125.412 121.223 -0.146 0.000 2.315 536 L HA 0.248 4.588 4.340 -0.000 0.000 0.278 536 L C 0.775 177.684 176.870 0.066 0.000 1.088 536 L CA -0.857 53.859 54.840 -0.207 0.000 0.899 536 L CB 0.446 42.383 42.059 -0.203 0.000 1.277 536 L HN 0.907 nan 8.230 nan 0.000 0.431 537 T N 0.180 114.806 114.554 0.120 0.000 2.918 537 T HA 0.451 4.801 4.350 -0.000 0.000 0.283 537 T C -2.493 172.353 174.700 0.243 0.000 1.001 537 T CA -2.195 60.000 62.100 0.158 0.000 1.041 537 T CB 1.011 69.940 68.868 0.102 0.000 1.028 537 T HN 0.144 nan 8.240 nan 0.000 0.511 538 P HA 0.166 nan 4.420 nan 0.000 0.262 538 P C -0.479 176.863 177.300 0.072 0.000 1.182 538 P CA 0.002 63.170 63.100 0.114 0.000 0.761 538 P CB 0.008 31.750 31.700 0.069 0.000 0.795 539 I N 6.734 127.302 120.570 -0.003 0.000 2.396 539 I HA 0.089 4.259 4.170 -0.000 0.000 0.289 539 I C -1.154 174.940 176.117 -0.038 0.000 1.056 539 I CA -1.760 59.494 61.300 -0.077 0.000 1.365 539 I CB 0.911 38.766 38.000 -0.242 0.000 1.407 539 I HN 0.315 nan 8.210 nan 0.000 0.509 540 P HA -0.262 nan 4.420 nan 0.000 0.217 540 P C 1.420 178.705 177.300 -0.025 0.000 1.151 540 P CA 1.355 64.447 63.100 -0.014 0.000 0.849 540 P CB 0.211 31.908 31.700 -0.006 0.000 0.787 541 A N -0.382 122.416 122.820 -0.036 0.000 2.019 541 A HA -0.063 4.256 4.320 -0.000 0.000 0.219 541 A C 2.267 179.822 177.584 -0.048 0.000 1.164 541 A CA 1.815 53.829 52.037 -0.039 0.000 0.644 541 A CB -1.386 17.590 19.000 -0.039 0.000 0.805 541 A HN 0.221 nan 8.150 nan 0.000 0.449 542 A N 0.305 123.094 122.820 -0.051 0.000 1.968 542 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 542 A C 2.431 179.984 177.584 -0.051 0.000 1.169 542 A CA 1.887 53.892 52.037 -0.052 0.000 0.638 542 A CB -0.774 18.203 19.000 -0.038 0.000 0.812 542 A HN 0.911 nan 8.150 nan 0.000 0.446 543 S N -1.541 114.136 115.700 -0.037 0.000 2.428 543 S HA 0.036 4.506 4.470 -0.000 0.000 0.230 543 S C 1.683 176.258 174.600 -0.042 0.000 1.014 543 S CA 1.290 59.471 58.200 -0.033 0.000 0.957 543 S CB -0.504 62.684 63.200 -0.020 0.000 0.784 543 S HN 0.881 nan 8.310 nan 0.000 0.499 544 Q N 0.320 120.093 119.800 -0.045 0.000 2.211 544 Q HA 0.638 4.978 4.340 -0.000 0.000 0.231 544 Q C 0.186 176.145 176.000 -0.069 0.000 0.865 544 Q CA -0.178 55.596 55.803 -0.049 0.000 0.997 544 Q CB -0.513 nan 28.738 nan 0.000 1.101 544 Q HN 0.714 nan 8.270 nan 0.000 0.468 545 L N 1.688 122.858 121.223 -0.090 0.000 2.276 545 L HA 0.497 4.837 4.340 -0.000 0.000 0.286 545 L C -0.383 176.384 176.870 -0.171 0.000 1.024 545 L CA -0.400 54.359 54.840 -0.134 0.000 0.826 545 L CB 1.563 43.533 42.059 -0.147 0.000 1.211 545 L HN 0.472 nan 8.230 nan 0.000 0.422 546 D N 5.799 126.088 120.400 -0.186 0.000 2.441 546 D HA 0.330 4.970 4.640 -0.000 0.000 0.221 546 D C 0.656 176.751 176.300 -0.341 0.000 1.156 546 D CA -0.412 53.468 54.000 -0.200 0.000 0.896 546 D CB 0.629 nan 40.800 nan 0.000 1.028 546 D HN 0.648 nan 8.370 nan 0.000 0.509 547 L N 0.750 121.726 121.223 -0.411 0.000 2.629 547 L HA 0.264 4.604 4.340 -0.000 0.000 0.230 547 L C 2.122 178.730 176.870 -0.438 0.000 1.151 547 L CA 0.045 54.452 54.840 -0.722 0.000 0.924 547 L CB -0.374 41.255 42.059 -0.717 0.000 1.137 547 L HN 0.589 nan 8.230 nan 0.000 0.457 548 S N -0.129 115.442 115.700 -0.215 0.000 2.584 548 S HA 0.437 4.907 4.470 -0.000 0.000 0.270 548 S C 1.458 176.007 174.600 -0.085 0.000 1.346 548 S CA 0.466 58.623 58.200 -0.072 0.000 1.018 548 S CB 0.420 nan 63.200 nan 0.000 0.899 548 S HN 0.415 nan 8.310 nan 0.000 0.542 549 G N -0.094 108.714 108.800 0.013 0.000 2.317 549 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.227 549 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.227 549 G C 0.941 175.940 174.900 0.165 0.000 1.042 549 G CA 0.831 45.960 45.100 0.048 0.000 0.623 549 G HN 0.657 nan 8.290 nan 0.000 0.509 550 W N 0.602 121.699 121.300 -0.337 0.000 2.436 550 W HA 0.466 5.126 4.660 -0.000 0.000 0.284 550 W C 1.068 177.089 176.519 -0.830 0.000 1.225 550 W CA 1.061 57.933 57.345 -0.789 0.000 1.271 550 W CB -0.464 28.127 29.460 -1.448 0.000 1.114 550 W HN 0.244 nan 8.180 nan 0.000 0.559 551 F N -1.016 119.111 119.950 0.296 0.000 2.542 551 F HA 0.324 4.851 4.527 -0.000 0.000 0.323 551 F C 0.542 176.481 175.800 0.232 0.000 1.411 551 F CA -0.515 57.666 58.000 0.302 0.000 1.124 551 F CB -0.351 38.785 39.000 0.225 0.000 1.331 551 F HN -0.415 nan 8.300 nan 0.000 0.560 552 V N 0.045 120.162 119.914 0.338 0.000 2.854 552 V HA 0.630 4.750 4.120 -0.000 0.000 0.236 552 V C 0.923 177.163 176.094 0.243 0.000 1.157 552 V CA 0.729 63.171 62.300 0.236 0.000 1.187 552 V CB 0.559 32.493 31.823 0.186 0.000 0.949 552 V HN 0.437 nan 8.190 nan 0.000 0.488 553 A N -0.810 122.119 122.820 0.180 0.000 2.602 553 A HA 0.779 5.099 4.320 -0.000 0.000 0.290 553 A C -0.280 176.957 177.584 -0.579 0.000 1.114 553 A CA 0.084 52.066 52.037 -0.093 0.000 0.683 553 A CB 1.104 19.907 19.000 -0.329 0.000 1.281 553 A HN 0.407 nan 8.150 nan 0.000 0.416 554 G N -1.312 106.794 108.800 -1.157 0.000 2.377 554 G HA2 0.538 4.498 3.960 -0.000 0.000 0.299 554 G HA3 0.538 4.498 3.960 -0.000 0.000 0.299 554 G C -0.879 173.338 174.900 -1.137 0.000 1.150 554 G CA -0.066 44.005 45.100 -1.715 0.000 0.847 554 G HN 0.597 nan 8.290 nan 0.000 0.501 555 Y N 0.662 120.753 120.300 -0.348 0.000 2.768 555 Y HA 0.302 4.852 4.550 -0.000 0.000 0.249 555 Y C 1.319 177.149 175.900 -0.116 0.000 1.146 555 Y CA -0.798 57.202 58.100 -0.167 0.000 1.171 555 Y CB 0.524 38.923 38.460 -0.102 0.000 1.249 555 Y HN 0.494 nan 8.280 nan 0.000 0.567 556 S N 0.625 116.306 115.700 -0.032 0.000 2.525 556 S HA 0.356 4.826 4.470 -0.000 0.000 0.285 556 S C 1.401 176.026 174.600 0.041 0.000 1.283 556 S CA 1.380 59.594 58.200 0.023 0.000 1.072 556 S CB 0.100 63.323 63.200 0.038 0.000 0.867 556 S HN 1.009 nan 8.310 nan 0.000 0.492 557 G N 3.497 112.324 108.800 0.046 0.000 2.179 557 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 557 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 557 G C 0.789 175.725 174.900 0.060 0.000 0.977 557 G CA 0.367 45.500 45.100 0.055 0.000 0.641 557 G HN 1.288 nan 8.290 nan 0.000 0.533 558 G N -0.219 108.621 108.800 0.066 0.000 3.042 558 G HA2 0.402 4.362 3.960 -0.000 0.000 0.212 558 G HA3 0.402 4.362 3.960 -0.000 0.000 0.212 558 G C 0.465 175.393 174.900 0.047 0.000 1.166 558 G CA 1.147 46.301 45.100 0.090 0.000 0.767 558 G HN 1.162 nan 8.290 nan 0.000 0.546 559 D N -0.391 120.005 120.400 -0.007 0.000 2.699 559 D HA -0.162 4.478 4.640 -0.000 0.000 0.239 559 D C -0.118 176.123 176.300 -0.098 0.000 1.136 559 D CA 0.362 54.331 54.000 -0.052 0.000 0.668 559 D CB -1.212 39.571 40.800 -0.029 0.000 1.060 559 D HN 0.124 nan 8.370 nan 0.000 0.429 560 I N 1.358 121.831 120.570 -0.163 0.000 2.404 560 I HA 0.348 4.518 4.170 -0.000 0.000 0.293 560 I C -0.108 175.763 176.117 -0.410 0.000 0.992 560 I CA -0.758 60.333 61.300 -0.350 0.000 1.149 560 I CB 1.229 38.885 38.000 -0.574 0.000 1.315 560 I HN 0.093 nan 8.210 nan 0.000 0.446 561 Y N 6.067 126.025 120.300 -0.571 0.000 2.338 561 Y HA 0.479 5.028 4.550 -0.000 0.000 0.333 561 Y C -0.522 175.044 175.900 -0.556 0.000 0.968 561 Y CA -0.375 57.409 58.100 -0.527 0.000 1.123 561 Y CB 1.163 39.433 38.460 -0.317 0.000 1.165 561 Y HN 0.629 nan 8.280 nan 0.000 0.452 562 H N 0.000 118.495 119.070 -0.959 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 562 H CA 0.000 55.628 56.048 -0.700 0.000 1.023 562 H CB 0.000 29.380 29.762 -0.636 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496