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 3co9_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV 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 0.000 174.562 174.600 -0.063 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 1 S CB 0.000 63.164 63.200 -0.060 0.000 0.593 2 M N 3.181 122.737 119.600 -0.073 0.000 2.219 2 M HA 0.263 4.742 4.480 -0.001 0.000 0.353 2 M C 1.934 178.112 176.300 -0.204 0.000 1.304 2 M CA 0.046 55.285 55.300 -0.102 0.000 1.115 2 M CB 0.417 32.975 32.600 -0.069 0.000 1.664 2 M HN 1.033 nan 8.290 nan 0.000 0.459 3 S N 3.158 118.669 115.700 -0.316 0.000 2.374 3 S HA -0.137 4.332 4.470 -0.001 0.000 0.227 3 S C 0.209 174.403 174.600 -0.676 0.000 1.037 3 S CA 1.138 59.040 58.200 -0.495 0.000 1.024 3 S CB -0.312 62.521 63.200 -0.612 0.000 0.861 3 S HN 0.644 nan 8.310 nan 0.000 0.456 4 Y N 0.071 120.181 120.300 -0.316 0.000 2.524 4 Y HA 0.585 5.135 4.550 -0.001 0.000 0.347 4 Y C -0.108 175.445 175.900 -0.578 0.000 1.005 4 Y CA -0.979 56.791 58.100 -0.551 0.000 1.025 4 Y CB 2.185 40.125 38.460 -0.866 0.000 1.275 4 Y HN -0.131 nan 8.280 nan 0.000 0.460 5 T N 1.709 115.980 114.554 -0.471 0.000 2.841 5 T HA 0.426 4.775 4.350 -0.001 0.000 0.283 5 T C -1.378 173.064 174.700 -0.429 0.000 1.000 5 T CA -0.788 61.114 62.100 -0.331 0.000 0.977 5 T CB 0.573 69.371 68.868 -0.117 0.000 0.979 5 T HN 0.466 nan 8.240 nan 0.000 0.446 6 W N 1.138 122.497 121.300 0.099 0.000 2.736 6 W HA 0.385 5.044 4.660 -0.001 0.000 0.335 6 W C 1.533 178.084 176.519 0.053 0.000 1.059 6 W CA -0.997 56.391 57.345 0.072 0.000 1.226 6 W CB 1.216 30.702 29.460 0.044 0.000 1.416 6 W HN 0.790 nan 8.180 nan 0.000 0.505 7 T N -1.890 112.848 114.554 0.306 0.000 2.978 7 T HA 0.247 4.596 4.350 -0.001 0.000 0.262 7 T C 1.513 176.301 174.700 0.146 0.000 1.063 7 T CA 1.227 63.434 62.100 0.179 0.000 1.140 7 T CB -0.129 68.822 68.868 0.138 0.000 0.886 7 T HN 1.178 nan 8.240 nan 0.000 0.470 8 G N 1.220 110.111 108.800 0.152 0.000 2.278 8 G HA2 0.053 4.012 3.960 -0.001 0.000 0.210 8 G HA3 0.053 4.012 3.960 -0.001 0.000 0.210 8 G C 0.391 175.312 174.900 0.036 0.000 1.000 8 G CA -0.127 45.014 45.100 0.069 0.000 0.635 8 G HN 1.128 nan 8.290 nan 0.000 0.495 9 A N 1.100 123.956 122.820 0.059 0.000 2.531 9 A HA 0.583 4.903 4.320 -0.001 0.000 0.236 9 A C 0.812 178.400 177.584 0.007 0.000 1.062 9 A CA 0.337 52.397 52.037 0.037 0.000 0.760 9 A CB 0.102 19.135 19.000 0.055 0.000 0.995 9 A HN 0.922 nan 8.150 nan 0.000 0.501 10 L N 2.059 123.274 121.223 -0.013 0.000 2.436 10 L HA 0.243 4.583 4.340 -0.001 0.000 0.265 10 L C 0.113 176.964 176.870 -0.031 0.000 1.168 10 L CA -0.224 54.590 54.840 -0.042 0.000 0.815 10 L CB 0.616 42.656 42.059 -0.032 0.000 1.109 10 L HN 0.558 nan 8.230 nan 0.000 0.462 11 I N 1.773 122.307 120.570 -0.060 0.000 2.379 11 I HA 0.085 4.255 4.170 -0.001 0.000 0.290 11 I C 0.501 176.610 176.117 -0.012 0.000 1.063 11 I CA 0.009 61.291 61.300 -0.032 0.000 1.351 11 I CB 0.740 38.705 38.000 -0.059 0.000 1.410 11 I HN 0.642 nan 8.210 nan 0.000 0.505 12 T N 5.025 119.583 114.554 0.007 0.000 2.895 12 T HA 0.566 4.916 4.350 -0.001 0.000 0.283 12 T C -2.413 172.303 174.700 0.026 0.000 1.014 12 T CA -2.072 60.036 62.100 0.012 0.000 1.037 12 T CB 1.700 70.575 68.868 0.011 0.000 1.006 12 T HN 0.255 nan 8.240 nan 0.000 0.468 13 P HA 0.286 nan 4.420 nan 0.000 0.274 13 P C 0.022 177.345 177.300 0.038 0.000 1.246 13 P CA -0.630 62.491 63.100 0.037 0.000 0.795 13 P CB 1.007 32.728 31.700 0.035 0.000 1.006 14 C N -0.006 119.321 119.300 0.044 0.000 2.820 14 C HA 0.601 5.060 4.460 -0.001 0.000 0.323 14 C C 0.936 175.946 174.990 0.035 0.000 1.279 14 C CA 0.798 59.841 59.018 0.042 0.000 1.790 14 C CB -0.568 27.206 27.740 0.057 0.000 2.328 14 C HN 0.730 nan 8.230 nan 0.000 0.579 15 A N -0.137 122.705 122.820 0.038 0.000 2.552 15 A HA 0.790 5.109 4.320 -0.001 0.000 0.288 15 A C -0.606 177.005 177.584 0.044 0.000 1.193 15 A CA 0.220 52.280 52.037 0.038 0.000 0.713 15 A CB 0.032 19.055 19.000 0.039 0.000 1.305 15 A HN 0.737 nan 8.150 nan 0.000 0.424 16 A N 0.071 122.920 122.820 0.049 0.000 2.540 16 A HA 0.483 4.802 4.320 -0.001 0.000 0.239 16 A C -0.036 177.593 177.584 0.074 0.000 1.061 16 A CA 0.426 52.498 52.037 0.058 0.000 0.758 16 A CB -0.317 18.718 19.000 0.060 0.000 0.991 16 A HN 0.613 nan 8.150 nan 0.000 0.502 17 E N 1.616 121.863 120.200 0.079 0.000 2.165 17 E HA 0.323 4.672 4.350 -0.001 0.000 0.266 17 E C -0.987 175.692 176.600 0.133 0.000 0.889 17 E CA -0.333 56.125 56.400 0.098 0.000 0.756 17 E CB 1.639 31.384 29.700 0.076 0.000 1.131 17 E HN 0.745 nan 8.360 nan 0.000 0.411 18 E N 1.091 121.413 120.200 0.204 0.000 2.166 18 E HA 0.161 4.510 4.350 -0.001 0.000 0.275 18 E C 0.234 177.058 176.600 0.375 0.000 0.941 18 E CA -0.186 56.380 56.400 0.277 0.000 0.784 18 E CB 1.537 31.441 29.700 0.341 0.000 1.115 18 E HN 0.544 nan 8.360 nan 0.000 0.399 19 S N 2.447 118.343 115.700 0.326 0.000 2.564 19 S HA 0.141 4.610 4.470 -0.001 0.000 0.231 19 S C 0.635 175.502 174.600 0.445 0.000 1.067 19 S CA -0.209 58.200 58.200 0.349 0.000 0.908 19 S CB 0.368 63.706 63.200 0.230 0.000 0.809 19 S HN 0.159 nan 8.310 nan 0.000 0.491 20 K N 1.857 122.440 120.400 0.305 0.000 2.218 20 K HA 0.338 4.658 4.320 -0.001 0.000 0.276 20 K C -0.522 176.106 176.600 0.046 0.000 1.022 20 K CA -0.678 55.736 56.287 0.212 0.000 0.946 20 K CB 1.269 33.831 32.500 0.102 0.000 1.000 20 K HN 0.320 nan 8.250 nan 0.000 0.468 21 L N 5.035 126.258 121.223 0.000 0.000 2.584 21 L HA 0.027 4.367 4.340 -0.001 0.000 0.272 21 L C -2.204 174.360 176.870 -0.510 0.000 1.195 21 L CA -0.662 53.937 54.840 -0.401 0.000 0.920 21 L CB -0.187 41.824 42.059 -0.081 0.000 1.173 21 L HN 0.379 nan 8.230 nan 0.000 0.489 22 P HA 0.146 nan 4.420 nan 0.000 0.268 22 P C -0.937 176.120 177.300 -0.405 0.000 1.204 22 P CA 0.064 62.852 63.100 -0.521 0.000 0.768 22 P CB 0.436 31.779 31.700 -0.595 0.000 0.842 23 I N 3.338 123.728 120.570 -0.299 0.000 2.441 23 I HA 0.369 4.539 4.170 -0.001 0.000 0.295 23 I C 0.557 176.561 176.117 -0.188 0.000 0.994 23 I CA -0.613 60.516 61.300 -0.286 0.000 1.144 23 I CB 1.397 39.211 38.000 -0.310 0.000 1.314 23 I HN 0.482 nan 8.210 nan 0.000 0.445 24 N N 4.274 122.880 118.700 -0.157 0.000 3.379 24 N HA 0.437 5.177 4.740 -0.001 0.000 0.350 24 N C 0.362 175.828 175.510 -0.072 0.000 1.553 24 N CA -0.369 52.620 53.050 -0.101 0.000 0.712 24 N CB 0.551 38.982 38.487 -0.093 0.000 1.880 24 N HN 0.369 nan 8.380 nan 0.000 0.648 25 A N -0.633 122.157 122.820 -0.050 0.000 2.168 25 A HA 0.173 4.493 4.320 -0.001 0.000 0.215 25 A C 1.729 179.298 177.584 -0.024 0.000 1.152 25 A CA 0.724 52.741 52.037 -0.033 0.000 0.716 25 A CB -0.885 18.098 19.000 -0.028 0.000 0.794 25 A HN 0.528 nan 8.150 nan 0.000 0.465 26 L N -1.461 119.745 121.223 -0.029 0.000 2.513 26 L HA 0.031 4.371 4.340 -0.001 0.000 0.222 26 L C 2.464 179.359 176.870 0.041 0.000 1.096 26 L CA 0.451 55.290 54.840 -0.001 0.000 0.857 26 L CB -0.194 41.846 42.059 -0.032 0.000 1.026 26 L HN 0.225 nan 8.230 nan 0.000 0.469 27 S N 0.697 116.397 115.700 0.000 0.000 2.353 27 S HA -0.167 4.303 4.470 -0.001 0.000 0.222 27 S C 1.725 176.377 174.600 0.087 0.000 1.035 27 S CA 1.594 59.795 58.200 0.002 0.000 1.025 27 S CB -0.278 62.843 63.200 -0.132 0.000 0.902 27 S HN 0.451 nan 8.310 nan 0.000 0.440 28 N N 1.542 120.310 118.700 0.112 0.000 2.205 28 N HA -0.079 4.661 4.740 -0.001 0.000 0.186 28 N C 1.907 177.443 175.510 0.044 0.000 1.015 28 N CA 1.346 54.471 53.050 0.124 0.000 0.862 28 N CB -0.584 37.958 38.487 0.092 0.000 0.986 28 N HN 0.582 nan 8.380 nan 0.000 0.429 29 S N -0.287 115.432 115.700 0.033 0.000 2.442 29 S HA -0.068 4.402 4.470 -0.001 0.000 0.236 29 S C 1.780 176.395 174.600 0.025 0.000 1.007 29 S CA 0.521 58.718 58.200 -0.005 0.000 0.965 29 S CB -0.161 63.052 63.200 0.022 0.000 0.773 29 S HN 0.238 nan 8.310 nan 0.000 0.504 30 L N -0.207 121.048 121.223 0.053 0.000 2.269 30 L HA 0.606 4.946 4.340 -0.001 0.000 0.200 30 L C 0.120 177.039 176.870 0.080 0.000 1.069 30 L CA 0.869 55.733 54.840 0.039 0.000 0.804 30 L CB 0.129 41.988 42.059 -0.332 0.000 0.987 30 L HN 0.495 nan 8.230 nan 0.000 0.468 31 L N -1.023 120.232 121.223 0.053 0.000 2.526 31 L HA 0.402 4.742 4.340 -0.001 0.000 0.263 31 L C 0.352 177.232 176.870 0.017 0.000 0.943 31 L CA -0.351 54.508 54.840 0.033 0.000 0.859 31 L CB 1.588 43.695 42.059 0.080 0.000 1.313 31 L HN -0.021 nan 8.230 nan 0.000 0.406 32 R N 1.235 121.626 120.500 -0.182 0.000 2.225 32 R HA 0.184 4.524 4.340 -0.001 0.000 0.194 32 R C -0.087 175.942 176.300 -0.451 0.000 0.957 32 R CA 0.152 56.050 56.100 -0.336 0.000 1.042 32 R CB 0.221 30.371 30.300 -0.249 0.000 1.004 32 R HN 0.654 nan 8.270 nan 0.000 0.509 33 H N 0.677 119.625 119.070 -0.203 0.000 2.799 33 H HA 0.120 4.675 4.556 -0.001 0.000 0.225 33 H C 0.506 175.819 175.328 -0.025 0.000 1.904 33 H CA -0.328 55.641 56.048 -0.131 0.000 1.344 33 H CB -0.018 29.724 29.762 -0.034 0.000 1.744 33 H HN 0.314 nan 8.280 nan 0.000 0.542 34 H N 0.904 120.062 119.070 0.147 0.000 2.352 34 H HA -0.181 4.374 4.556 -0.001 0.000 0.299 34 H C 1.965 177.365 175.328 0.120 0.000 1.097 34 H CA 1.321 57.431 56.048 0.102 0.000 1.311 34 H CB 0.230 30.025 29.762 0.056 0.000 1.377 34 H HN 0.615 nan 8.280 nan 0.000 0.504 35 N N 0.947 119.775 118.700 0.213 0.000 2.609 35 N HA -0.116 4.623 4.740 -0.001 0.000 0.190 35 N C 1.248 176.860 175.510 0.170 0.000 1.157 35 N CA 0.905 54.053 53.050 0.165 0.000 0.918 35 N CB -0.326 38.223 38.487 0.104 0.000 0.978 35 N HN 0.416 nan 8.380 nan 0.000 0.448 36 M N -0.312 119.403 119.600 0.191 0.000 2.506 36 M HA 0.125 4.605 4.480 -0.001 0.000 0.260 36 M C -0.259 176.216 176.300 0.291 0.000 1.104 36 M CA 0.224 55.648 55.300 0.206 0.000 1.112 36 M CB 0.515 33.224 32.600 0.182 0.000 1.401 36 M HN -0.058 nan 8.290 nan 0.000 0.473 37 V N 1.209 121.304 119.914 0.302 0.000 2.394 37 V HA 0.311 4.430 4.120 -0.001 0.000 0.282 37 V C -0.826 175.530 176.094 0.437 0.000 1.031 37 V CA -0.747 61.751 62.300 0.329 0.000 0.881 37 V CB 0.567 32.560 31.823 0.283 0.000 0.982 37 V HN 0.298 nan 8.190 nan 0.000 0.451 38 Y N 2.695 123.161 120.300 0.278 0.000 2.562 38 Y HA 0.915 5.464 4.550 -0.001 0.000 0.345 38 Y C -0.421 175.568 175.900 0.148 0.000 1.045 38 Y CA -1.445 56.823 58.100 0.280 0.000 1.028 38 Y CB 1.615 40.194 38.460 0.199 0.000 1.297 38 Y HN 0.698 nan 8.280 nan 0.000 0.463 39 A N 1.908 124.766 122.820 0.064 0.000 2.337 39 A HA 0.661 4.981 4.320 -0.001 0.000 0.329 39 A C 0.021 177.650 177.584 0.075 0.000 1.146 39 A CA -0.346 51.518 52.037 -0.290 0.000 0.800 39 A CB 0.420 18.993 19.000 -0.711 0.000 1.220 39 A HN 1.104 nan 8.150 nan 0.000 0.472 40 T N 0.085 114.675 114.554 0.060 0.000 2.898 40 T HA 0.547 4.896 4.350 -0.001 0.000 0.301 40 T C 0.389 175.137 174.700 0.080 0.000 1.049 40 T CA 0.462 62.670 62.100 0.179 0.000 1.095 40 T CB 0.662 69.659 68.868 0.213 0.000 0.976 40 T HN 1.539 nan 8.240 nan 0.000 0.539 41 T N -1.928 112.683 114.554 0.094 0.000 2.812 41 T HA 0.473 4.823 4.350 -0.001 0.000 0.294 41 T C 1.407 176.138 174.700 0.051 0.000 1.159 41 T CA -0.222 61.916 62.100 0.064 0.000 1.008 41 T CB 1.127 70.039 68.868 0.074 0.000 1.289 41 T HN 0.806 nan 8.240 nan 0.000 0.514 42 S N 0.027 115.749 115.700 0.037 0.000 2.440 42 S HA -0.184 4.286 4.470 -0.001 0.000 0.238 42 S C 1.920 176.525 174.600 0.007 0.000 1.010 42 S CA 1.055 59.266 58.200 0.019 0.000 0.972 42 S CB -0.733 62.477 63.200 0.017 0.000 0.774 42 S HN 0.763 nan 8.310 nan 0.000 0.501 43 R N 1.647 122.160 120.500 0.021 0.000 2.127 43 R HA -0.087 4.253 4.340 -0.001 0.000 0.238 43 R C 2.311 178.612 176.300 0.002 0.000 1.134 43 R CA 1.654 57.762 56.100 0.013 0.000 0.975 43 R CB -0.377 29.940 30.300 0.029 0.000 0.865 43 R HN 0.704 nan 8.270 nan 0.000 0.447 44 S N -1.238 114.469 115.700 0.012 0.000 2.575 44 S HA 0.183 4.653 4.470 -0.001 0.000 0.215 44 S C 1.870 176.454 174.600 -0.025 0.000 0.966 44 S CA 0.230 58.431 58.200 0.002 0.000 0.911 44 S CB 0.650 63.870 63.200 0.032 0.000 0.780 44 S HN 0.348 nan 8.310 nan 0.000 0.514 45 A N 2.287 125.083 122.820 -0.040 0.000 1.927 45 A HA 0.050 4.370 4.320 -0.001 0.000 0.220 45 A C 2.355 179.846 177.584 -0.155 0.000 1.185 45 A CA 1.827 53.813 52.037 -0.085 0.000 0.639 45 A CB -1.859 17.087 19.000 -0.091 0.000 0.820 45 A HN 0.677 nan 8.150 nan 0.000 0.451 46 G N -0.519 108.189 108.800 -0.153 0.000 2.469 46 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.219 46 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.219 46 G C 1.470 176.275 174.900 -0.159 0.000 1.150 46 G CA 1.317 46.300 45.100 -0.193 0.000 0.763 46 G HN 0.463 nan 8.290 nan 0.000 0.561 47 L N 0.518 121.684 121.223 -0.094 0.000 2.027 47 L HA 0.120 4.460 4.340 -0.001 0.000 0.206 47 L C 2.764 179.605 176.870 -0.048 0.000 1.074 47 L CA 1.971 56.776 54.840 -0.057 0.000 0.745 47 L CB -0.649 41.392 42.059 -0.031 0.000 0.898 47 L HN 0.215 nan 8.230 nan 0.000 0.433 48 R N -0.350 120.120 120.500 -0.051 0.000 2.091 48 R HA -0.190 4.149 4.340 -0.001 0.000 0.238 48 R C 2.257 178.521 176.300 -0.061 0.000 1.136 48 R CA 1.832 57.915 56.100 -0.029 0.000 0.959 48 R CB -0.519 29.770 30.300 -0.018 0.000 0.856 48 R HN 0.543 nan 8.270 nan 0.000 0.437 49 Q N 0.013 119.694 119.800 -0.198 0.000 2.112 49 Q HA -0.225 4.115 4.340 -0.001 0.000 0.206 49 Q C 1.990 177.944 176.000 -0.076 0.000 0.987 49 Q CA 1.956 57.554 55.803 -0.341 0.000 0.858 49 Q CB -0.219 28.013 28.738 -0.843 0.000 0.905 49 Q HN 0.266 nan 8.270 nan 0.000 0.420 50 K N 1.311 121.676 120.400 -0.057 0.000 2.032 50 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 50 K C 1.958 178.644 176.600 0.144 0.000 1.048 50 K CA 1.816 58.133 56.287 0.051 0.000 0.927 50 K CB -0.020 32.491 32.500 0.018 0.000 0.712 50 K HN 0.200 nan 8.250 nan 0.000 0.441 51 K N 0.423 120.900 120.400 0.128 0.000 2.305 51 K HA -0.021 4.298 4.320 -0.001 0.000 0.199 51 K C 1.719 178.523 176.600 0.339 0.000 1.047 51 K CA 1.056 57.456 56.287 0.188 0.000 0.976 51 K CB -0.071 32.499 32.500 0.116 0.000 0.765 51 K HN 0.080 nan 8.250 nan 0.000 0.474 52 V N -0.932 119.165 119.914 0.304 0.000 3.461 52 V HA 0.070 4.189 4.120 -0.001 0.000 0.267 52 V C 0.210 176.508 176.094 0.340 0.000 1.186 52 V CA 0.193 62.722 62.300 0.382 0.000 1.154 52 V CB -0.617 31.369 31.823 0.271 0.000 0.802 52 V HN 0.149 nan 8.190 nan 0.000 0.474 53 T N 4.350 119.140 114.554 0.393 0.000 2.781 53 T HA 0.708 5.057 4.350 -0.001 0.000 0.305 53 T C -0.741 174.162 174.700 0.339 0.000 1.001 53 T CA -0.045 62.248 62.100 0.322 0.000 0.950 53 T CB 0.083 69.230 68.868 0.464 0.000 0.955 53 T HN 0.610 nan 8.240 nan 0.000 0.471 54 F N -0.231 119.817 119.950 0.163 0.000 2.741 54 F HA 0.658 5.184 4.527 -0.001 0.000 0.313 54 F C -0.979 174.856 175.800 0.059 0.000 1.153 54 F CA -1.774 56.284 58.000 0.097 0.000 0.931 54 F CB 0.728 39.777 39.000 0.081 0.000 1.335 54 F HN 0.216 nan 8.300 nan 0.000 0.460 55 D N 0.719 121.275 120.400 0.259 0.000 2.304 55 D HA 0.469 5.108 4.640 -0.001 0.000 0.250 55 D C -0.851 175.572 176.300 0.205 0.000 1.107 55 D CA 0.012 54.093 54.000 0.136 0.000 0.885 55 D CB 0.863 41.723 40.800 0.100 0.000 1.192 55 D HN 0.560 nan 8.370 nan 0.000 0.436 56 R N 2.375 122.933 120.500 0.096 0.000 2.460 56 R HA 0.639 4.979 4.340 -0.001 0.000 0.303 56 R C -0.838 175.489 176.300 0.046 0.000 0.968 56 R CA -0.534 55.627 56.100 0.102 0.000 0.889 56 R CB 1.212 31.540 30.300 0.046 0.000 1.123 56 R HN 0.415 nan 8.270 nan 0.000 0.455 57 L N 1.880 123.129 121.223 0.043 0.000 2.365 57 L HA 0.519 4.858 4.340 -0.001 0.000 0.273 57 L C -0.440 176.429 176.870 -0.002 0.000 1.000 57 L CA -0.670 54.177 54.840 0.011 0.000 0.819 57 L CB 2.201 44.264 42.059 0.008 0.000 1.284 57 L HN 0.418 nan 8.230 nan 0.000 0.418 58 Q N 1.685 121.472 119.800 -0.022 0.000 2.356 58 Q HA 0.641 4.981 4.340 -0.001 0.000 0.270 58 Q C -1.598 174.373 176.000 -0.048 0.000 1.058 58 Q CA -0.633 55.147 55.803 -0.037 0.000 0.802 58 Q CB 3.310 32.007 28.738 -0.069 0.000 1.303 58 Q HN 0.364 nan 8.270 nan 0.000 0.444 59 V N 4.777 124.669 119.914 -0.037 0.000 2.380 59 V HA 0.411 4.530 4.120 -0.001 0.000 0.286 59 V C -0.798 175.296 176.094 -0.001 0.000 1.015 59 V CA -0.535 61.745 62.300 -0.035 0.000 0.834 59 V CB 1.277 33.075 31.823 -0.042 0.000 1.009 59 V HN 0.634 nan 8.190 nan 0.000 0.428 60 L N 5.565 126.751 121.223 -0.062 0.000 2.313 60 L HA 0.669 5.009 4.340 -0.001 0.000 0.283 60 L C -0.260 176.624 176.870 0.023 0.000 1.013 60 L CA -0.544 54.228 54.840 -0.114 0.000 0.816 60 L CB 1.769 43.579 42.059 -0.415 0.000 1.236 60 L HN 0.683 nan 8.230 nan 0.000 0.419 61 D N 0.307 120.794 120.400 0.144 0.000 2.616 61 D HA 0.156 4.795 4.640 -0.001 0.000 0.260 61 D C 0.255 176.621 176.300 0.111 0.000 1.158 61 D CA -0.630 53.437 54.000 0.112 0.000 1.085 61 D CB 0.807 41.679 40.800 0.121 0.000 1.222 61 D HN 0.327 nan 8.370 nan 0.000 0.626 62 D N -1.210 119.193 120.400 0.005 0.000 2.144 62 D HA -0.150 4.489 4.640 -0.001 0.000 0.200 62 D C 1.719 178.018 176.300 -0.002 0.000 0.978 62 D CA 1.060 55.038 54.000 -0.037 0.000 0.833 62 D CB -0.029 40.691 40.800 -0.134 0.000 0.961 62 D HN 0.395 nan 8.370 nan 0.000 0.470 63 H N 0.068 119.201 119.070 0.105 0.000 2.319 63 H HA -0.170 4.385 4.556 -0.001 0.000 0.299 63 H C 2.051 177.411 175.328 0.053 0.000 1.092 63 H CA 1.049 57.150 56.048 0.088 0.000 1.302 63 H CB -0.850 28.989 29.762 0.128 0.000 1.373 63 H HN 0.319 nan 8.280 nan 0.000 0.497 64 Y N 1.859 122.191 120.300 0.055 0.000 2.081 64 Y HA -0.275 4.274 4.550 -0.001 0.000 0.280 64 Y C 2.738 178.589 175.900 -0.082 0.000 1.163 64 Y CA 1.868 59.878 58.100 -0.150 0.000 1.135 64 Y CB -0.109 38.179 38.460 -0.288 0.000 0.970 64 Y HN -0.018 nan 8.280 nan 0.000 0.498 65 R N -0.086 120.471 120.500 0.094 0.000 2.090 65 R HA -0.131 4.208 4.340 -0.001 0.000 0.228 65 R C 1.809 178.078 176.300 -0.050 0.000 1.110 65 R CA 1.300 57.404 56.100 0.006 0.000 0.973 65 R CB -0.290 30.058 30.300 0.080 0.000 0.869 65 R HN 0.410 nan 8.270 nan 0.000 0.440 66 D N 0.197 120.592 120.400 -0.009 0.000 2.104 66 D HA -0.138 4.501 4.640 -0.001 0.000 0.194 66 D C 1.941 178.223 176.300 -0.029 0.000 0.994 66 D CA 1.167 55.167 54.000 -0.001 0.000 0.830 66 D CB -0.230 40.601 40.800 0.051 0.000 0.959 66 D HN -0.004 nan 8.370 nan 0.000 0.452 67 V N 1.049 120.928 119.914 -0.059 0.000 2.427 67 V HA -0.191 3.929 4.120 -0.001 0.000 0.248 67 V C 2.441 178.471 176.094 -0.107 0.000 1.051 67 V CA 0.920 63.177 62.300 -0.072 0.000 1.048 67 V CB -0.415 31.343 31.823 -0.108 0.000 0.666 67 V HN 0.128 nan 8.190 nan 0.000 0.456 68 L N 0.635 121.726 121.223 -0.219 0.000 2.042 68 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 68 L C 2.400 179.199 176.870 -0.118 0.000 1.076 68 L CA 2.270 56.975 54.840 -0.226 0.000 0.749 68 L CB -0.796 41.055 42.059 -0.348 0.000 0.893 68 L HN 0.283 nan 8.230 nan 0.000 0.432 69 K N -0.531 119.818 120.400 -0.085 0.000 2.057 69 K HA -0.210 4.109 4.320 -0.001 0.000 0.207 69 K C 1.972 178.551 176.600 -0.034 0.000 1.049 69 K CA 1.818 58.076 56.287 -0.048 0.000 0.931 69 K CB -0.121 32.361 32.500 -0.030 0.000 0.714 69 K HN 0.494 nan 8.250 nan 0.000 0.440 70 E N 0.174 120.359 120.200 -0.025 0.000 2.051 70 E HA -0.209 4.140 4.350 -0.001 0.000 0.192 70 E C 2.100 178.692 176.600 -0.015 0.000 0.991 70 E CA 1.804 58.200 56.400 -0.007 0.000 0.799 70 E CB -0.086 29.625 29.700 0.017 0.000 0.748 70 E HN 0.341 nan 8.360 nan 0.000 0.449 71 M N 0.597 120.184 119.600 -0.022 0.000 2.080 71 M HA -0.216 4.263 4.480 -0.001 0.000 0.260 71 M C 2.208 178.471 176.300 -0.063 0.000 1.068 71 M CA 1.595 56.867 55.300 -0.047 0.000 1.109 71 M CB -0.236 32.332 32.600 -0.053 0.000 1.342 71 M HN -0.051 nan 8.290 nan 0.000 0.405 72 K N 0.237 120.600 120.400 -0.061 0.000 2.103 72 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 72 K C 2.112 178.690 176.600 -0.037 0.000 1.048 72 K CA 1.424 57.680 56.287 -0.053 0.000 0.930 72 K CB -0.309 32.161 32.500 -0.051 0.000 0.716 72 K HN 0.328 nan 8.250 nan 0.000 0.444 73 A N 1.865 124.667 122.820 -0.031 0.000 1.883 73 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 73 A C 1.917 179.485 177.584 -0.026 0.000 1.186 73 A CA 1.691 53.715 52.037 -0.022 0.000 0.624 73 A CB -0.308 18.683 19.000 -0.016 0.000 0.822 73 A HN 0.200 nan 8.150 nan 0.000 0.444 74 K N -0.317 120.063 120.400 -0.034 0.000 2.057 74 K HA 0.013 4.333 4.320 -0.001 0.000 0.206 74 K C 2.266 178.837 176.600 -0.049 0.000 1.050 74 K CA 1.058 57.319 56.287 -0.044 0.000 0.935 74 K CB -0.336 32.128 32.500 -0.060 0.000 0.715 74 K HN 0.429 nan 8.250 nan 0.000 0.439 75 A N 0.980 123.769 122.820 -0.052 0.000 1.940 75 A HA -0.170 4.149 4.320 -0.001 0.000 0.219 75 A C 2.073 179.644 177.584 -0.023 0.000 1.176 75 A CA 1.867 53.879 52.037 -0.042 0.000 0.631 75 A CB -0.551 18.425 19.000 -0.039 0.000 0.814 75 A HN 0.188 nan 8.150 nan 0.000 0.446 76 S N -0.462 115.226 115.700 -0.020 0.000 2.507 76 S HA -0.095 4.374 4.470 -0.001 0.000 0.235 76 S C 1.906 176.500 174.600 -0.010 0.000 0.988 76 S CA 1.553 59.746 58.200 -0.011 0.000 0.944 76 S CB -0.467 62.726 63.200 -0.010 0.000 0.762 76 S HN 0.915 nan 8.310 nan 0.000 0.526 77 T N -1.011 113.533 114.554 -0.016 0.000 3.100 77 T HA 0.190 4.540 4.350 -0.001 0.000 0.253 77 T C 0.510 175.200 174.700 -0.016 0.000 1.118 77 T CA -0.106 61.985 62.100 -0.015 0.000 1.058 77 T CB -0.250 68.606 68.868 -0.019 0.000 0.953 77 T HN 0.025 nan 8.240 nan 0.000 0.515 78 V N 2.167 122.070 119.914 -0.018 0.000 2.530 78 V HA 0.367 4.486 4.120 -0.001 0.000 0.282 78 V C 0.151 176.242 176.094 -0.006 0.000 1.048 78 V CA -0.790 61.499 62.300 -0.019 0.000 0.997 78 V CB 1.054 32.861 31.823 -0.027 0.000 0.987 78 V HN 0.403 nan 8.190 nan 0.000 0.477 79 K N 3.771 124.169 120.400 -0.005 0.000 2.274 79 K HA 0.766 5.086 4.320 -0.001 0.000 0.262 79 K C -0.613 175.990 176.600 0.004 0.000 0.961 79 K CA -0.408 55.882 56.287 0.004 0.000 0.833 79 K CB 1.511 34.014 32.500 0.005 0.000 1.102 79 K HN 0.834 nan 8.250 nan 0.000 0.436 80 A N 3.779 126.606 122.820 0.012 0.000 2.401 80 A HA 0.538 4.858 4.320 -0.001 0.000 0.310 80 A C -1.367 176.233 177.584 0.028 0.000 1.075 80 A CA -0.979 51.066 52.037 0.014 0.000 0.746 80 A CB 1.023 20.027 19.000 0.007 0.000 1.277 80 A HN 0.839 nan 8.150 nan 0.000 0.425 81 K N 1.477 121.897 120.400 0.033 0.000 2.156 81 K HA 0.745 5.065 4.320 -0.001 0.000 0.250 81 K C -1.122 175.506 176.600 0.046 0.000 0.955 81 K CA -0.617 55.691 56.287 0.036 0.000 0.855 81 K CB 1.365 33.882 32.500 0.028 0.000 1.101 81 K HN 0.496 nan 8.250 nan 0.000 0.434 82 L N 2.936 124.183 121.223 0.040 0.000 2.367 82 L HA 0.122 4.462 4.340 -0.001 0.000 0.275 82 L C -0.321 176.534 176.870 -0.024 0.000 1.129 82 L CA -0.844 54.009 54.840 0.022 0.000 0.839 82 L CB 0.444 42.516 42.059 0.021 0.000 1.133 82 L HN 0.521 nan 8.230 nan 0.000 0.453 83 L N 2.922 124.115 121.223 -0.049 0.000 2.417 83 L HA 0.181 4.521 4.340 -0.001 0.000 0.268 83 L C 0.648 177.413 176.870 -0.175 0.000 1.158 83 L CA 0.447 55.233 54.840 -0.089 0.000 0.819 83 L CB 1.459 43.464 42.059 -0.089 0.000 1.112 83 L HN 0.710 nan 8.230 nan 0.000 0.458 84 S N 1.338 116.946 115.700 -0.155 0.000 2.600 84 S HA 0.208 4.677 4.470 -0.001 0.000 0.265 84 S C 1.373 175.831 174.600 -0.237 0.000 1.325 84 S CA -0.688 57.400 58.200 -0.188 0.000 1.002 84 S CB 0.783 63.911 63.200 -0.120 0.000 0.921 84 S HN 0.339 nan 8.310 nan 0.000 0.554 85 V N 1.904 121.647 119.914 -0.284 0.000 2.278 85 V HA -0.238 3.881 4.120 -0.001 0.000 0.251 85 V C 2.621 178.593 176.094 -0.204 0.000 1.062 85 V CA 2.579 64.694 62.300 -0.309 0.000 1.038 85 V CB -1.438 30.138 31.823 -0.412 0.000 0.646 85 V HN 0.902 nan 8.190 nan 0.000 0.447 86 E N 0.020 120.129 120.200 -0.151 0.000 2.051 86 E HA -0.215 4.135 4.350 -0.001 0.000 0.192 86 E C 2.185 178.717 176.600 -0.114 0.000 0.991 86 E CA 1.476 57.809 56.400 -0.111 0.000 0.799 86 E CB -0.312 29.341 29.700 -0.078 0.000 0.748 86 E HN 0.671 nan 8.360 nan 0.000 0.449 87 E N 0.348 120.475 120.200 -0.123 0.000 2.058 87 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 87 E C 2.074 178.567 176.600 -0.178 0.000 0.997 87 E CA 1.106 57.426 56.400 -0.134 0.000 0.801 87 E CB -0.198 29.428 29.700 -0.123 0.000 0.746 87 E HN 0.303 nan 8.360 nan 0.000 0.450 88 A N 0.633 123.340 122.820 -0.188 0.000 1.877 88 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 88 A C 2.439 179.922 177.584 -0.168 0.000 1.186 88 A CA 1.287 53.204 52.037 -0.199 0.000 0.620 88 A CB -0.908 17.982 19.000 -0.183 0.000 0.822 88 A HN 0.392 nan 8.150 nan 0.000 0.443 89 C N -0.274 118.942 119.300 -0.140 0.000 2.403 89 C HA -0.083 4.377 4.460 -0.001 0.000 0.277 89 C C 2.520 177.449 174.990 -0.102 0.000 1.248 89 C CA 1.357 60.311 59.018 -0.107 0.000 1.762 89 C CB -0.796 26.888 27.740 -0.095 0.000 2.014 89 C HN 0.470 nan 8.230 nan 0.000 0.486 90 K N 0.792 121.129 120.400 -0.104 0.000 2.439 90 K HA 0.131 4.450 4.320 -0.001 0.000 0.197 90 K C 1.390 177.946 176.600 -0.073 0.000 1.041 90 K CA 0.702 56.945 56.287 -0.073 0.000 0.970 90 K CB -0.449 32.015 32.500 -0.059 0.000 0.773 90 K HN 0.535 nan 8.250 nan 0.000 0.479 91 L N 0.905 122.036 121.223 -0.153 0.000 2.591 91 L HA 0.036 4.376 4.340 -0.001 0.000 0.228 91 L C 0.181 176.948 176.870 -0.171 0.000 1.133 91 L CA 0.145 54.858 54.840 -0.210 0.000 0.880 91 L CB -0.147 41.666 42.059 -0.411 0.000 1.033 91 L HN -0.117 nan 8.230 nan 0.000 0.450 92 T N 1.536 116.006 114.554 -0.140 0.000 2.780 92 T HA 0.255 4.605 4.350 -0.001 0.000 0.294 92 T C -2.354 172.187 174.700 -0.265 0.000 0.949 92 T CA -1.269 60.727 62.100 -0.172 0.000 1.074 92 T CB 1.197 69.983 68.868 -0.135 0.000 0.910 92 T HN -0.159 nan 8.240 nan 0.000 0.501 93 P HA 0.145 nan 4.420 nan 0.000 0.268 93 P C -1.950 174.963 177.300 -0.645 0.000 1.204 93 P CA -1.372 61.327 63.100 -0.668 0.000 0.768 93 P CB 0.160 31.364 31.700 -0.827 0.000 0.842 94 P HA -0.171 nan 4.420 nan 0.000 0.220 94 P C 0.543 177.750 177.300 -0.155 0.000 1.144 94 P CA 1.669 64.586 63.100 -0.305 0.000 0.800 94 P CB -0.448 31.108 31.700 -0.240 0.000 0.772 95 H N -4.769 114.172 119.070 -0.216 0.000 2.594 95 H HA 0.416 4.971 4.556 -0.001 0.000 0.279 95 H C 0.621 175.871 175.328 -0.131 0.000 1.042 95 H CA -0.520 55.442 56.048 -0.143 0.000 1.177 95 H CB -0.333 29.356 29.762 -0.122 0.000 1.524 95 H HN -0.164 nan 8.280 nan 0.000 0.537 96 S N 1.206 116.665 115.700 -0.402 0.000 2.560 96 S HA 0.340 4.809 4.470 -0.001 0.000 0.284 96 S C 0.845 175.348 174.600 -0.162 0.000 1.327 96 S CA -0.263 57.760 58.200 -0.296 0.000 1.055 96 S CB -0.052 62.983 63.200 -0.274 0.000 0.868 96 S HN 0.677 nan 8.310 nan 0.000 0.506 97 A N 4.680 127.413 122.820 -0.146 0.000 2.565 97 A HA 0.202 4.521 4.320 -0.001 0.000 0.237 97 A C 0.578 178.127 177.584 -0.059 0.000 1.053 97 A CA 0.034 52.026 52.037 -0.074 0.000 0.755 97 A CB -0.222 18.759 19.000 -0.032 0.000 0.980 97 A HN 0.885 nan 8.150 nan 0.000 0.506 98 K N 2.227 122.586 120.400 -0.069 0.000 2.276 98 K HA 0.337 4.657 4.320 -0.001 0.000 0.259 98 K C 0.366 176.855 176.600 -0.185 0.000 1.001 98 K CA 0.057 56.265 56.287 -0.131 0.000 0.927 98 K CB 0.430 32.859 32.500 -0.119 0.000 0.969 98 K HN 0.438 nan 8.250 nan 0.000 0.490 99 S N 0.342 115.806 115.700 -0.392 0.000 2.572 99 S HA 0.035 4.505 4.470 -0.001 0.000 0.279 99 S C 0.676 175.053 174.600 -0.371 0.000 1.341 99 S CA -0.481 57.454 58.200 -0.442 0.000 1.043 99 S CB 0.556 63.144 63.200 -1.020 0.000 0.887 99 S HN 0.690 nan 8.310 nan 0.000 0.516 100 K N 2.334 122.494 120.400 -0.400 0.000 2.362 100 K HA -0.033 4.286 4.320 -0.001 0.000 0.200 100 K C -0.035 176.137 176.600 -0.713 0.000 1.046 100 K CA 1.115 57.044 56.287 -0.597 0.000 0.952 100 K CB -0.135 31.864 32.500 -0.835 0.000 0.753 100 K HN 0.618 nan 8.250 nan 0.000 0.466 101 F N 0.367 120.161 119.950 -0.259 0.000 2.916 101 F HA 0.264 4.790 4.527 -0.001 0.000 0.294 101 F C 0.946 176.686 175.800 -0.099 0.000 1.189 101 F CA -0.413 57.446 58.000 -0.235 0.000 1.369 101 F CB 0.653 39.351 39.000 -0.504 0.000 0.961 101 F HN 0.037 nan 8.300 nan 0.000 0.508 102 G N 0.681 109.469 108.800 -0.021 0.000 2.165 102 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.226 102 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.226 102 G C -0.480 174.535 174.900 0.192 0.000 1.035 102 G CA 0.110 45.251 45.100 0.069 0.000 0.744 102 G HN 0.601 nan 8.290 nan 0.000 0.501 103 Y N -3.090 117.203 120.300 -0.012 0.000 2.677 103 Y HA 0.754 5.304 4.550 -0.001 0.000 0.334 103 Y C 0.336 176.235 175.900 -0.002 0.000 1.196 103 Y CA -1.066 57.032 58.100 -0.002 0.000 1.059 103 Y CB 0.405 38.871 38.460 0.010 0.000 1.315 103 Y HN 0.763 nan 8.280 nan 0.000 0.455 104 G N -0.102 108.743 108.800 0.075 0.000 3.175 104 G HA2 0.558 4.518 3.960 -0.001 0.000 0.255 104 G HA3 0.558 4.518 3.960 -0.001 0.000 0.255 104 G C 0.231 175.169 174.900 0.064 0.000 1.352 104 G CA -0.735 44.356 45.100 -0.016 0.000 1.037 104 G HN 1.227 nan 8.290 nan 0.000 0.556 105 A N -0.476 122.337 122.820 -0.012 0.000 1.933 105 A HA 0.016 4.336 4.320 -0.001 0.000 0.218 105 A C 2.145 179.710 177.584 -0.032 0.000 1.175 105 A CA 1.886 53.901 52.037 -0.036 0.000 0.628 105 A CB -0.384 18.545 19.000 -0.118 0.000 0.814 105 A HN 0.554 nan 8.150 nan 0.000 0.444 106 K N -0.319 120.065 120.400 -0.027 0.000 2.155 106 K HA -0.098 4.221 4.320 -0.001 0.000 0.203 106 K C 1.287 177.888 176.600 0.002 0.000 1.052 106 K CA 1.168 57.438 56.287 -0.027 0.000 0.948 106 K CB -0.168 32.316 32.500 -0.026 0.000 0.728 106 K HN 0.434 nan 8.250 nan 0.000 0.448 107 D N 0.687 121.113 120.400 0.044 0.000 2.117 107 D HA -0.136 4.504 4.640 -0.001 0.000 0.197 107 D C 1.983 178.305 176.300 0.035 0.000 0.987 107 D CA 0.997 55.033 54.000 0.059 0.000 0.829 107 D CB -0.129 40.755 40.800 0.140 0.000 0.961 107 D HN -0.056 nan 8.370 nan 0.000 0.460 108 V N 1.324 121.281 119.914 0.071 0.000 2.295 108 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 108 V C 2.535 178.614 176.094 -0.025 0.000 1.049 108 V CA 1.527 63.845 62.300 0.030 0.000 1.024 108 V CB -0.328 31.540 31.823 0.075 0.000 0.648 108 V HN 0.129 nan 8.190 nan 0.000 0.447 109 R N 1.264 121.742 120.500 -0.036 0.000 2.096 109 R HA -0.141 4.198 4.340 -0.001 0.000 0.235 109 R C 1.443 177.719 176.300 -0.040 0.000 1.127 109 R CA 1.753 57.821 56.100 -0.054 0.000 0.968 109 R CB -0.413 29.840 30.300 -0.078 0.000 0.861 109 R HN 0.808 nan 8.270 nan 0.000 0.440 110 N N 0.289 118.971 118.700 -0.030 0.000 2.279 110 N HA 0.103 4.843 4.740 -0.001 0.000 0.226 110 N C -0.277 175.216 175.510 -0.029 0.000 1.126 110 N CA -0.099 52.935 53.050 -0.026 0.000 0.846 110 N CB -0.002 38.474 38.487 -0.018 0.000 1.050 110 N HN 0.084 nan 8.380 nan 0.000 0.502 111 L N -0.902 120.298 121.223 -0.039 0.000 3.717 111 L HA -0.268 4.071 4.340 -0.001 0.000 0.411 111 L C 0.077 176.918 176.870 -0.048 0.000 1.233 111 L CA 0.434 55.245 54.840 -0.049 0.000 0.917 111 L CB -2.967 39.066 42.059 -0.044 0.000 1.902 111 L HN 0.494 nan 8.230 nan 0.000 0.894 112 S N -0.521 115.150 115.700 -0.049 0.000 2.558 112 S HA 0.179 4.648 4.470 -0.001 0.000 0.291 112 S C 1.549 176.106 174.600 -0.072 0.000 1.306 112 S CA 0.078 58.248 58.200 -0.048 0.000 1.056 112 S CB 1.628 64.806 63.200 -0.036 0.000 0.836 112 S HN 0.598 nan 8.310 nan 0.000 0.504 113 S N 2.892 118.562 115.700 -0.051 0.000 2.399 113 S HA -0.136 4.333 4.470 -0.001 0.000 0.231 113 S C 1.749 176.307 174.600 -0.071 0.000 1.022 113 S CA 0.846 59.018 58.200 -0.046 0.000 0.983 113 S CB -0.457 62.728 63.200 -0.025 0.000 0.803 113 S HN 0.749 nan 8.310 nan 0.000 0.480 114 K N 1.841 122.187 120.400 -0.091 0.000 2.025 114 K HA 0.077 4.396 4.320 -0.001 0.000 0.207 114 K C 2.420 178.825 176.600 -0.324 0.000 1.049 114 K CA 1.390 57.604 56.287 -0.122 0.000 0.933 114 K CB -0.941 31.522 32.500 -0.061 0.000 0.714 114 K HN 0.451 nan 8.250 nan 0.000 0.438 115 A N 0.768 123.276 122.820 -0.520 0.000 1.883 115 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 115 A C 2.424 179.744 177.584 -0.440 0.000 1.186 115 A CA 1.921 53.400 52.037 -0.929 0.000 0.624 115 A CB -0.755 17.912 19.000 -0.554 0.000 0.822 115 A HN 0.142 nan 8.150 nan 0.000 0.444 116 V N 0.698 120.477 119.914 -0.225 0.000 2.358 116 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 116 V C 2.172 178.262 176.094 -0.008 0.000 1.047 116 V CA 2.237 64.464 62.300 -0.122 0.000 1.035 116 V CB -1.233 30.562 31.823 -0.046 0.000 0.658 116 V HN 0.650 nan 8.190 nan 0.000 0.452 117 N N -0.789 117.918 118.700 0.012 0.000 2.069 117 N HA -0.253 4.486 4.740 -0.001 0.000 0.191 117 N C 1.997 177.538 175.510 0.052 0.000 1.031 117 N CA 1.489 54.575 53.050 0.060 0.000 0.852 117 N CB -0.299 38.202 38.487 0.023 0.000 1.018 117 N HN 0.593 nan 8.380 nan 0.000 0.423 118 H N 1.151 120.159 119.070 -0.102 0.000 2.357 118 H HA -0.030 4.525 4.556 -0.001 0.000 0.301 118 H C 2.124 177.429 175.328 -0.038 0.000 1.082 118 H CA 1.161 57.165 56.048 -0.073 0.000 1.342 118 H CB 0.037 29.773 29.762 -0.043 0.000 1.389 118 H HN 0.182 nan 8.280 nan 0.000 0.511 119 I N 0.517 121.000 120.570 -0.145 0.000 2.163 119 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 119 I C 2.637 178.661 176.117 -0.155 0.000 1.085 119 I CA 1.224 62.419 61.300 -0.175 0.000 1.347 119 I CB -0.438 37.449 38.000 -0.189 0.000 1.044 119 I HN 0.361 nan 8.210 nan 0.000 0.408 120 H N -0.518 118.510 119.070 -0.069 0.000 2.387 120 H HA -0.144 4.412 4.556 -0.001 0.000 0.299 120 H C 2.578 177.913 175.328 0.011 0.000 1.090 120 H CA 1.696 57.738 56.048 -0.010 0.000 1.332 120 H CB -0.257 29.486 29.762 -0.030 0.000 1.386 120 H HN 0.286 nan 8.280 nan 0.000 0.516 121 S N 0.167 115.890 115.700 0.039 0.000 2.359 121 S HA -0.124 4.346 4.470 -0.001 0.000 0.224 121 S C 2.396 176.931 174.600 -0.107 0.000 1.035 121 S CA 1.505 59.671 58.200 -0.057 0.000 1.018 121 S CB -0.426 62.694 63.200 -0.134 0.000 0.876 121 S HN 0.152 nan 8.310 nan 0.000 0.448 122 V N 1.130 120.924 119.914 -0.200 0.000 2.358 122 V HA -0.130 3.989 4.120 -0.001 0.000 0.246 122 V C 2.044 178.137 176.094 -0.002 0.000 1.047 122 V CA 1.746 63.951 62.300 -0.159 0.000 1.035 122 V CB -0.967 30.736 31.823 -0.200 0.000 0.658 122 V HN 0.702 nan 8.190 nan 0.000 0.452 123 W N 1.588 122.816 121.300 -0.120 0.000 2.333 123 W HA -0.257 4.403 4.660 -0.001 0.000 0.316 123 W C 2.574 179.065 176.519 -0.047 0.000 1.215 123 W CA 2.386 59.688 57.345 -0.070 0.000 1.278 123 W CB -0.132 29.297 29.460 -0.051 0.000 1.154 123 W HN 0.242 nan 8.180 nan 0.000 0.486 124 K N 0.578 121.032 120.400 0.089 0.000 2.063 124 K HA -0.285 4.034 4.320 -0.001 0.000 0.208 124 K C 1.727 178.264 176.600 -0.105 0.000 1.048 124 K CA 2.346 58.624 56.287 -0.016 0.000 0.928 124 K CB -0.618 31.910 32.500 0.046 0.000 0.713 124 K HN 0.040 nan 8.250 nan 0.000 0.442 125 D N 0.117 120.459 120.400 -0.096 0.000 2.144 125 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 125 D C 1.961 178.169 176.300 -0.153 0.000 0.984 125 D CA 0.986 54.921 54.000 -0.108 0.000 0.834 125 D CB 0.073 40.815 40.800 -0.096 0.000 0.955 125 D HN 0.226 nan 8.370 nan 0.000 0.465 126 L N -0.043 121.050 121.223 -0.217 0.000 2.046 126 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 126 L C 2.470 179.153 176.870 -0.312 0.000 1.077 126 L CA 0.686 55.358 54.840 -0.279 0.000 0.747 126 L CB -0.381 41.449 42.059 -0.381 0.000 0.896 126 L HN 0.218 nan 8.230 nan 0.000 0.432 127 L N -0.752 120.243 121.223 -0.379 0.000 2.093 127 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 127 L C 2.281 179.046 176.870 -0.174 0.000 1.085 127 L CA 1.283 55.940 54.840 -0.305 0.000 0.755 127 L CB -0.392 41.483 42.059 -0.307 0.000 0.904 127 L HN 0.308 nan 8.230 nan 0.000 0.435 128 E N -1.167 118.948 120.200 -0.142 0.000 2.276 128 E HA -0.054 4.296 4.350 -0.001 0.000 0.193 128 E C 0.292 176.843 176.600 -0.081 0.000 0.983 128 E CA 0.155 56.499 56.400 -0.093 0.000 0.861 128 E CB 0.419 30.076 29.700 -0.071 0.000 0.817 128 E HN 0.191 nan 8.360 nan 0.000 0.485 129 D N 0.200 120.544 120.400 -0.094 0.000 2.492 129 D HA 0.050 4.690 4.640 -0.001 0.000 0.248 129 D C -0.060 176.189 176.300 -0.085 0.000 1.101 129 D CA -0.238 53.716 54.000 -0.075 0.000 0.840 129 D CB 1.538 42.298 40.800 -0.066 0.000 1.209 129 D HN -0.037 nan 8.370 nan 0.000 0.524 130 T N 0.376 114.889 114.554 -0.069 0.000 3.174 130 T HA 0.198 4.548 4.350 -0.001 0.000 0.269 130 T C 1.208 175.878 174.700 -0.049 0.000 1.017 130 T CA 0.364 62.423 62.100 -0.068 0.000 0.899 130 T CB -0.183 68.649 68.868 -0.060 0.000 1.077 130 T HN 0.216 nan 8.240 nan 0.000 0.552 131 V N -2.807 117.082 119.914 -0.042 0.000 3.251 131 V HA 0.364 4.484 4.120 -0.001 0.000 0.239 131 V C 0.656 176.739 176.094 -0.018 0.000 1.332 131 V CA -0.030 62.254 62.300 -0.026 0.000 1.224 131 V CB -0.375 31.436 31.823 -0.020 0.000 1.004 131 V HN 0.287 nan 8.190 nan 0.000 0.464 132 T N 4.560 119.101 114.554 -0.021 0.000 2.769 132 T HA 0.338 4.688 4.350 -0.001 0.000 0.293 132 T C -2.464 172.232 174.700 -0.006 0.000 0.931 132 T CA -0.322 61.773 62.100 -0.008 0.000 1.139 132 T CB 0.580 69.442 68.868 -0.009 0.000 0.881 132 T HN 0.359 nan 8.240 nan 0.000 0.532 133 P HA 0.106 nan 4.420 nan 0.000 0.264 133 P C -0.217 177.079 177.300 -0.006 0.000 1.183 133 P CA 0.011 63.120 63.100 0.015 0.000 0.763 133 P CB 0.345 32.092 31.700 0.080 0.000 0.807 134 I N 2.300 122.849 120.570 -0.035 0.000 2.396 134 I HA 0.149 4.318 4.170 -0.001 0.000 0.292 134 I C 0.926 177.025 176.117 -0.030 0.000 0.999 134 I CA -0.478 60.807 61.300 -0.026 0.000 1.310 134 I CB 0.844 38.818 38.000 -0.043 0.000 1.404 134 I HN 0.330 nan 8.210 nan 0.000 0.496 135 D N 4.314 124.713 120.400 -0.003 0.000 2.423 135 D HA 0.173 4.812 4.640 -0.001 0.000 0.238 135 D C -0.362 175.903 176.300 -0.059 0.000 1.142 135 D CA 0.279 54.264 54.000 -0.024 0.000 0.884 135 D CB 0.805 41.606 40.800 0.003 0.000 1.199 135 D HN 0.618 nan 8.370 nan 0.000 0.438 136 T N -0.661 113.831 114.554 -0.103 0.000 2.906 136 T HA 0.569 4.919 4.350 -0.001 0.000 0.295 136 T C -0.347 174.199 174.700 -0.256 0.000 1.061 136 T CA -1.003 60.995 62.100 -0.169 0.000 1.000 136 T CB 1.510 70.306 68.868 -0.120 0.000 1.103 136 T HN 0.229 nan 8.240 nan 0.000 0.486 137 T N 2.427 116.665 114.554 -0.526 0.000 2.845 137 T HA 0.558 4.907 4.350 -0.001 0.000 0.288 137 T C -0.272 174.179 174.700 -0.415 0.000 0.980 137 T CA -0.587 61.170 62.100 -0.573 0.000 1.071 137 T CB 0.607 68.898 68.868 -0.962 0.000 0.941 137 T HN 0.711 nan 8.240 nan 0.000 0.487 138 I N 4.183 124.677 120.570 -0.127 0.000 2.362 138 I HA 0.482 4.652 4.170 -0.001 0.000 0.289 138 I C -0.987 175.182 176.117 0.087 0.000 0.994 138 I CA -0.768 60.555 61.300 0.039 0.000 1.158 138 I CB 0.635 38.702 38.000 0.113 0.000 1.315 138 I HN 0.400 nan 8.210 nan 0.000 0.451 139 M N 6.200 125.903 119.600 0.172 0.000 2.644 139 M HA 0.534 5.014 4.480 -0.001 0.000 0.304 139 M C -0.525 175.847 176.300 0.120 0.000 1.215 139 M CA -0.645 54.752 55.300 0.162 0.000 0.871 139 M CB 1.848 34.601 32.600 0.254 0.000 1.740 139 M HN 0.581 nan 8.290 nan 0.000 0.464 140 A N 2.063 124.930 122.820 0.079 0.000 2.289 140 A HA 0.500 4.819 4.320 -0.001 0.000 0.298 140 A C -0.085 177.533 177.584 0.057 0.000 1.208 140 A CA -0.540 51.532 52.037 0.059 0.000 0.845 140 A CB 0.275 19.296 19.000 0.036 0.000 1.125 140 A HN 0.754 nan 8.150 nan 0.000 0.517 141 K N 2.202 122.636 120.400 0.056 0.000 2.382 141 K HA 0.102 4.422 4.320 -0.001 0.000 0.275 141 K C -0.567 176.033 176.600 -0.001 0.000 1.009 141 K CA -0.127 56.177 56.287 0.027 0.000 0.970 141 K CB 0.436 32.958 32.500 0.036 0.000 0.934 141 K HN 0.654 nan 8.250 nan 0.000 0.479 142 N N 3.885 122.555 118.700 -0.051 0.000 2.589 142 N HA 0.124 4.863 4.740 -0.001 0.000 0.232 142 N C -0.893 174.474 175.510 -0.239 0.000 1.015 142 N CA -0.111 52.866 53.050 -0.121 0.000 0.931 142 N CB 1.086 39.506 38.487 -0.112 0.000 1.150 142 N HN 0.496 nan 8.380 nan 0.000 0.512 143 E N 0.444 120.469 120.200 -0.292 0.000 2.256 143 E HA 0.462 4.812 4.350 -0.001 0.000 0.267 143 E C -0.644 175.464 176.600 -0.821 0.000 0.892 143 E CA -0.972 55.119 56.400 -0.515 0.000 0.775 143 E CB 2.588 32.022 29.700 -0.443 0.000 1.207 143 E HN 0.046 nan 8.360 nan 0.000 0.420 144 V N 3.080 122.397 119.914 -0.995 0.000 2.427 144 V HA 0.453 4.572 4.120 -0.001 0.000 0.286 144 V C -0.824 174.615 176.094 -1.093 0.000 1.034 144 V CA -0.239 61.502 62.300 -0.931 0.000 0.893 144 V CB 0.087 31.515 31.823 -0.658 0.000 0.982 144 V HN 0.503 nan 8.190 nan 0.000 0.452 145 F N 2.328 121.927 119.950 -0.585 0.000 2.675 145 F HA 0.602 5.128 4.527 -0.001 0.000 0.324 145 F C 0.100 175.750 175.800 -0.251 0.000 1.106 145 F CA -0.829 56.921 58.000 -0.416 0.000 0.970 145 F CB 1.252 40.010 39.000 -0.404 0.000 1.385 145 F HN 0.493 nan 8.300 nan 0.000 0.489 146 C N 1.924 121.363 119.300 0.231 0.000 2.341 146 C HA 0.766 5.225 4.460 -0.001 0.000 0.338 146 C C -0.047 175.181 174.990 0.396 0.000 1.257 146 C CA -0.565 58.617 59.018 0.272 0.000 1.883 146 C CB 0.084 27.924 27.740 0.166 0.000 2.334 146 C HN 0.541 nan 8.230 nan 0.000 0.524 147 V N 6.750 126.904 119.914 0.401 0.000 2.694 147 V HA 0.059 4.178 4.120 -0.001 0.000 0.306 147 V C 0.399 176.572 176.094 0.132 0.000 1.054 147 V CA 0.931 63.373 62.300 0.235 0.000 1.161 147 V CB 0.435 32.324 31.823 0.110 0.000 0.916 147 V HN 0.900 nan 8.190 nan 0.000 0.490 148 Q N 6.043 125.889 119.800 0.076 0.000 2.571 148 Q HA 0.261 4.600 4.340 -0.001 0.000 0.243 148 Q C -1.843 174.160 176.000 0.005 0.000 1.055 148 Q CA -1.628 54.196 55.803 0.034 0.000 0.815 148 Q CB 1.459 30.207 28.738 0.018 0.000 1.151 148 Q HN 0.524 nan 8.270 nan 0.000 0.519 149 P HA -0.232 nan 4.420 nan 0.000 0.216 149 P C 0.634 177.926 177.300 -0.013 0.000 1.150 149 P CA 1.372 64.466 63.100 -0.009 0.000 0.843 149 P CB 0.480 32.177 31.700 -0.005 0.000 0.787 150 E N -0.771 119.423 120.200 -0.009 0.000 2.045 150 E HA -0.059 4.291 4.350 -0.001 0.000 0.190 150 E C 1.838 178.429 176.600 -0.015 0.000 0.968 150 E CA 0.604 56.997 56.400 -0.011 0.000 0.813 150 E CB -0.167 29.528 29.700 -0.008 0.000 0.780 150 E HN 0.035 nan 8.360 nan 0.000 0.455 151 K N 0.108 120.499 120.400 -0.014 0.000 2.360 151 K HA -0.079 4.241 4.320 -0.001 0.000 0.201 151 K C 1.045 177.630 176.600 -0.025 0.000 1.046 151 K CA 1.091 57.367 56.287 -0.019 0.000 0.940 151 K CB 0.354 32.842 32.500 -0.020 0.000 0.748 151 K HN 0.272 nan 8.250 nan 0.000 0.465 152 G N -1.874 106.910 108.800 -0.027 0.000 2.600 152 G HA2 0.278 4.237 3.960 -0.001 0.000 0.072 152 G HA3 0.278 4.237 3.960 -0.001 0.000 0.072 152 G C 0.334 175.210 174.900 -0.041 0.000 1.051 152 G CA 0.061 45.141 45.100 -0.034 0.000 1.230 152 G HN 0.248 nan 8.290 nan 0.000 0.547 153 G N -0.581 108.184 108.800 -0.058 0.000 3.121 153 G HA2 0.460 4.419 3.960 -0.001 0.000 0.133 153 G HA3 0.460 4.419 3.960 -0.001 0.000 0.133 153 G C -0.286 174.523 174.900 -0.153 0.000 1.398 153 G CA 0.001 45.049 45.100 -0.086 0.000 1.037 153 G HN 0.539 nan 8.290 nan 0.000 0.644 154 R N 0.985 121.355 120.500 -0.215 0.000 2.534 154 R HA 0.503 4.843 4.340 -0.001 0.000 0.301 154 R C -0.935 175.307 176.300 -0.096 0.000 0.961 154 R CA -0.602 55.279 56.100 -0.366 0.000 0.871 154 R CB 2.257 32.161 30.300 -0.660 0.000 1.170 154 R HN 0.114 nan 8.270 nan 0.000 0.446 155 K N 3.218 123.657 120.400 0.065 0.000 2.350 155 K HA 0.168 4.487 4.320 -0.001 0.000 0.279 155 K C -2.189 174.473 176.600 0.102 0.000 1.027 155 K CA -1.295 55.005 56.287 0.021 0.000 0.969 155 K CB 0.290 32.691 32.500 -0.166 0.000 0.954 155 K HN 0.242 nan 8.250 nan 0.000 0.474 156 P HA 0.041 nan 4.420 nan 0.000 0.274 156 P C -1.005 176.355 177.300 0.100 0.000 1.237 156 P CA -0.513 62.627 63.100 0.066 0.000 0.793 156 P CB 0.657 32.373 31.700 0.027 0.000 0.977 157 A N 2.638 125.516 122.820 0.097 0.000 2.511 157 A HA 0.092 4.411 4.320 -0.001 0.000 0.242 157 A C 0.539 178.177 177.584 0.090 0.000 1.069 157 A CA 0.013 52.114 52.037 0.105 0.000 0.763 157 A CB -0.353 18.691 19.000 0.073 0.000 1.001 157 A HN 0.440 nan 8.150 nan 0.000 0.498 158 R N 0.651 121.220 120.500 0.115 0.000 2.679 158 R HA 0.410 4.749 4.340 -0.001 0.000 0.269 158 R C -0.707 175.650 176.300 0.096 0.000 1.076 158 R CA -0.144 56.023 56.100 0.111 0.000 1.160 158 R CB 0.369 30.749 30.300 0.133 0.000 1.054 158 R HN 0.670 nan 8.270 nan 0.000 0.507 159 L N 2.809 124.095 121.223 0.105 0.000 2.317 159 L HA 0.487 4.826 4.340 -0.001 0.000 0.281 159 L C -0.372 176.590 176.870 0.154 0.000 1.024 159 L CA -0.849 54.058 54.840 0.112 0.000 0.810 159 L CB 1.480 43.593 42.059 0.089 0.000 1.240 159 L HN 0.468 nan 8.230 nan 0.000 0.427 160 I N 3.161 123.837 120.570 0.177 0.000 2.378 160 I HA 0.476 4.645 4.170 -0.001 0.000 0.291 160 I C -0.834 175.478 176.117 0.326 0.000 0.992 160 I CA -0.298 61.141 61.300 0.231 0.000 1.154 160 I CB 1.737 39.847 38.000 0.184 0.000 1.315 160 I HN 0.211 nan 8.210 nan 0.000 0.448 161 V N 8.843 128.945 119.914 0.314 0.000 2.409 161 V HA 0.576 4.695 4.120 -0.001 0.000 0.291 161 V C -0.765 175.523 176.094 0.324 0.000 1.020 161 V CA -0.477 61.974 62.300 0.252 0.000 0.848 161 V CB 1.042 32.976 31.823 0.185 0.000 0.990 161 V HN 0.596 nan 8.190 nan 0.000 0.430 162 F N 5.132 125.125 119.950 0.070 0.000 2.601 162 F HA 0.945 5.471 4.527 -0.001 0.000 0.309 162 F C -3.075 172.759 175.800 0.056 0.000 1.089 162 F CA -2.763 55.276 58.000 0.065 0.000 0.940 162 F CB 1.682 40.712 39.000 0.051 0.000 1.273 162 F HN 0.298 nan 8.300 nan 0.000 0.450 163 P HA 0.211 nan 4.420 nan 0.000 0.284 163 P C -1.047 176.342 177.300 0.149 0.000 1.292 163 P CA -0.176 62.967 63.100 0.072 0.000 0.800 163 P CB 1.109 32.865 31.700 0.094 0.000 1.188 164 D N -1.103 119.376 120.400 0.132 0.000 2.368 164 D HA -0.034 4.605 4.640 -0.001 0.000 0.240 164 D C 1.352 177.767 176.300 0.192 0.000 1.169 164 D CA -0.293 53.810 54.000 0.173 0.000 0.906 164 D CB 0.257 41.218 40.800 0.269 0.000 1.187 164 D HN 0.100 nan 8.370 nan 0.000 0.435 165 L N 3.120 124.433 121.223 0.149 0.000 2.021 165 L HA -0.040 4.300 4.340 -0.001 0.000 0.215 165 L C 2.076 179.069 176.870 0.204 0.000 1.074 165 L CA 2.650 57.564 54.840 0.123 0.000 0.760 165 L CB -1.138 40.929 42.059 0.013 0.000 0.889 165 L HN 0.669 nan 8.230 nan 0.000 0.433 166 G N -1.263 107.735 108.800 0.329 0.000 2.440 166 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.218 166 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.218 166 G C 1.541 176.542 174.900 0.169 0.000 1.154 166 G CA 1.142 46.449 45.100 0.345 0.000 0.767 166 G HN 0.372 nan 8.290 nan 0.000 0.552 167 V N 0.749 120.762 119.914 0.165 0.000 2.358 167 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 167 V C 2.924 179.092 176.094 0.123 0.000 1.047 167 V CA 1.957 64.326 62.300 0.116 0.000 1.035 167 V CB -0.452 31.431 31.823 0.100 0.000 0.658 167 V HN 0.347 nan 8.190 nan 0.000 0.452 168 R N -0.303 120.275 120.500 0.131 0.000 2.096 168 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 168 R C 2.205 178.556 176.300 0.084 0.000 1.127 168 R CA 1.344 57.514 56.100 0.116 0.000 0.968 168 R CB -0.589 29.772 30.300 0.102 0.000 0.861 168 R HN 0.429 nan 8.270 nan 0.000 0.440 169 V N 0.489 120.445 119.914 0.069 0.000 2.358 169 V HA -0.290 3.830 4.120 -0.001 0.000 0.246 169 V C 2.501 178.608 176.094 0.022 0.000 1.047 169 V CA 1.554 63.864 62.300 0.016 0.000 1.035 169 V CB -0.487 31.336 31.823 0.001 0.000 0.658 169 V HN 0.440 nan 8.190 nan 0.000 0.452 170 C N -0.096 119.259 119.300 0.093 0.000 2.425 170 C HA -0.139 4.321 4.460 -0.001 0.000 0.277 170 C C 2.682 177.834 174.990 0.271 0.000 1.280 170 C CA 0.867 60.020 59.018 0.226 0.000 1.744 170 C CB -1.002 26.939 27.740 0.334 0.000 1.989 170 C HN 0.619 nan 8.230 nan 0.000 0.491 171 E N 0.893 121.210 120.200 0.195 0.000 2.058 171 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 171 E C 2.154 178.866 176.600 0.186 0.000 0.997 171 E CA 1.289 57.815 56.400 0.210 0.000 0.801 171 E CB -0.182 29.649 29.700 0.218 0.000 0.746 171 E HN 0.638 nan 8.360 nan 0.000 0.450 172 K N 0.394 120.871 120.400 0.129 0.000 2.032 172 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 172 K C 2.236 178.882 176.600 0.076 0.000 1.048 172 K CA 1.605 57.955 56.287 0.105 0.000 0.927 172 K CB -0.179 32.307 32.500 -0.023 0.000 0.712 172 K HN 0.097 nan 8.250 nan 0.000 0.441 173 M N 0.373 119.966 119.600 -0.012 0.000 2.082 173 M HA -0.242 4.237 4.480 -0.001 0.000 0.258 173 M C 2.450 178.775 176.300 0.041 0.000 1.069 173 M CA 1.993 57.215 55.300 -0.129 0.000 1.102 173 M CB -0.436 31.864 32.600 -0.499 0.000 1.336 173 M HN 0.269 nan 8.290 nan 0.000 0.404 174 A N -0.624 122.345 122.820 0.249 0.000 1.897 174 A HA -0.004 4.315 4.320 -0.001 0.000 0.215 174 A C 1.911 179.590 177.584 0.159 0.000 1.181 174 A CA 1.353 53.583 52.037 0.323 0.000 0.620 174 A CB -0.281 18.937 19.000 0.362 0.000 0.821 174 A HN 0.509 nan 8.150 nan 0.000 0.443 175 L N -3.310 117.991 121.223 0.130 0.000 3.039 175 L HA 0.192 4.532 4.340 -0.001 0.000 0.269 175 L C 1.836 178.732 176.870 0.043 0.000 1.169 175 L CA 0.018 54.876 54.840 0.029 0.000 0.986 175 L CB 0.139 42.187 42.059 -0.018 0.000 1.377 175 L HN 0.468 nan 8.230 nan 0.000 0.575 176 Y N 1.410 121.719 120.300 0.015 0.000 2.128 176 Y HA -0.339 4.211 4.550 -0.001 0.000 0.284 176 Y C 2.202 178.131 175.900 0.049 0.000 1.154 176 Y CA 2.346 60.473 58.100 0.045 0.000 1.149 176 Y CB 0.103 38.578 38.460 0.025 0.000 0.976 176 Y HN 0.226 nan 8.280 nan 0.000 0.505 177 D N -0.703 119.744 120.400 0.079 0.000 2.117 177 D HA -0.172 4.467 4.640 -0.001 0.000 0.197 177 D C 2.224 178.470 176.300 -0.090 0.000 0.987 177 D CA 1.513 55.509 54.000 -0.007 0.000 0.829 177 D CB -0.255 40.582 40.800 0.062 0.000 0.961 177 D HN 0.259 nan 8.370 nan 0.000 0.460 178 V N 0.519 120.381 119.914 -0.086 0.000 2.233 178 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 178 V C 2.717 178.700 176.094 -0.184 0.000 1.050 178 V CA 1.946 64.168 62.300 -0.130 0.000 1.010 178 V CB -0.807 30.907 31.823 -0.181 0.000 0.637 178 V HN 0.344 nan 8.190 nan 0.000 0.444 179 V N -2.381 117.399 119.914 -0.224 0.000 2.759 179 V HA -0.114 4.006 4.120 -0.001 0.000 0.256 179 V C 2.099 178.026 176.094 -0.278 0.000 1.080 179 V CA 2.109 64.265 62.300 -0.240 0.000 1.101 179 V CB -0.470 31.227 31.823 -0.210 0.000 0.698 179 V HN 0.461 nan 8.190 nan 0.000 0.477 180 S N 1.256 116.789 115.700 -0.278 0.000 2.406 180 S HA -0.067 4.402 4.470 -0.001 0.000 0.224 180 S C 1.979 176.484 174.600 -0.159 0.000 1.030 180 S CA 1.668 59.729 58.200 -0.231 0.000 0.958 180 S CB -0.145 62.879 63.200 -0.294 0.000 0.811 180 S HN 0.944 nan 8.310 nan 0.000 0.489 181 T N -0.564 113.896 114.554 -0.157 0.000 2.978 181 T HA 0.277 4.627 4.350 -0.001 0.000 0.248 181 T C 1.687 176.289 174.700 -0.163 0.000 1.018 181 T CA 0.001 62.026 62.100 -0.124 0.000 1.026 181 T CB -0.389 68.432 68.868 -0.079 0.000 1.032 181 T HN 0.227 nan 8.240 nan 0.000 0.485 182 L N 2.000 123.116 121.223 -0.179 0.000 2.109 182 L HA 0.242 4.582 4.340 -0.001 0.000 0.207 182 L C -0.959 175.736 176.870 -0.291 0.000 1.086 182 L CA 1.065 55.800 54.840 -0.175 0.000 0.760 182 L CB -0.767 41.237 42.059 -0.091 0.000 0.910 182 L HN 0.078 nan 8.230 nan 0.000 0.437 183 P HA -0.226 nan 4.420 nan 0.000 0.215 183 P C 1.392 178.230 177.300 -0.770 0.000 1.157 183 P CA 1.332 63.958 63.100 -0.790 0.000 0.868 183 P CB -0.174 30.637 31.700 -1.481 0.000 0.788 184 Q N 0.033 119.462 119.800 -0.619 0.000 2.124 184 Q HA -0.106 4.234 4.340 -0.001 0.000 0.202 184 Q C 1.992 177.868 176.000 -0.206 0.000 0.977 184 Q CA 1.477 57.115 55.803 -0.275 0.000 0.850 184 Q CB -0.774 27.903 28.738 -0.102 0.000 0.901 184 Q HN 0.072 nan 8.270 nan 0.000 0.429 185 V N 0.168 119.965 119.914 -0.196 0.000 2.343 185 V HA -0.214 3.906 4.120 -0.001 0.000 0.247 185 V C 2.492 178.492 176.094 -0.156 0.000 1.051 185 V CA 1.479 63.695 62.300 -0.140 0.000 1.036 185 V CB -0.429 31.328 31.823 -0.110 0.000 0.654 185 V HN 0.139 nan 8.190 nan 0.000 0.451 186 V N -0.992 118.790 119.914 -0.220 0.000 2.488 186 V HA -0.103 4.017 4.120 -0.001 0.000 0.246 186 V C 1.936 177.834 176.094 -0.327 0.000 1.046 186 V CA 1.883 64.039 62.300 -0.240 0.000 1.053 186 V CB -0.330 31.334 31.823 -0.266 0.000 0.679 186 V HN 0.473 nan 8.190 nan 0.000 0.458 187 M N -1.258 118.102 119.600 -0.400 0.000 2.313 187 M HA 0.376 4.855 4.480 -0.001 0.000 0.273 187 M C 1.475 177.661 176.300 -0.190 0.000 1.049 187 M CA 0.668 55.662 55.300 -0.509 0.000 1.004 187 M CB 0.726 32.908 32.600 -0.696 0.000 1.461 187 M HN 0.421 nan 8.290 nan 0.000 0.514 188 G N 1.858 110.575 108.800 -0.139 0.000 2.652 188 G HA2 -0.416 3.543 3.960 -0.001 0.000 0.318 188 G HA3 -0.416 3.543 3.960 -0.001 0.000 0.318 188 G C 0.894 175.749 174.900 -0.075 0.000 1.295 188 G CA 1.105 46.163 45.100 -0.069 0.000 0.999 188 G HN 0.549 nan 8.290 nan 0.000 0.548 189 S N -0.613 115.059 115.700 -0.047 0.000 2.507 189 S HA 0.079 4.549 4.470 -0.001 0.000 0.235 189 S C 2.189 176.587 174.600 -0.337 0.000 0.988 189 S CA 1.886 59.996 58.200 -0.149 0.000 0.944 189 S CB -0.089 63.102 63.200 -0.015 0.000 0.762 189 S HN 0.949 nan 8.310 nan 0.000 0.526 190 S N 0.196 115.840 115.700 -0.092 0.000 2.489 190 S HA 0.114 4.584 4.470 -0.001 0.000 0.228 190 S C 0.271 174.857 174.600 -0.024 0.000 0.995 190 S CA -0.122 58.084 58.200 0.009 0.000 0.934 190 S CB -0.434 62.922 63.200 0.260 0.000 0.771 190 S HN 0.697 nan 8.310 nan 0.000 0.522 191 Y N 3.332 123.482 120.300 -0.249 0.000 2.637 191 Y HA 0.423 4.972 4.550 -0.001 0.000 0.350 191 Y C 1.282 176.938 175.900 -0.406 0.000 1.069 191 Y CA -1.376 56.547 58.100 -0.295 0.000 1.397 191 Y CB -0.059 38.227 38.460 -0.289 0.000 1.163 191 Y HN 0.066 nan 8.280 nan 0.000 0.527 192 G N 4.515 112.878 108.800 -0.729 0.000 2.443 192 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.219 192 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.219 192 G C 1.059 175.425 174.900 -0.891 0.000 1.131 192 G CA 0.244 44.932 45.100 -0.686 0.000 0.775 192 G HN 0.635 nan 8.290 nan 0.000 0.547 193 F N 1.336 120.552 119.950 -1.224 0.000 2.748 193 F HA 0.047 4.573 4.527 -0.001 0.000 0.299 193 F C 2.840 178.346 175.800 -0.490 0.000 1.154 193 F CA 0.740 58.113 58.000 -1.045 0.000 1.446 193 F CB -0.103 38.266 39.000 -1.052 0.000 1.112 193 F HN 0.367 nan 8.300 nan 0.000 0.584 194 Q N -0.600 118.901 119.800 -0.497 0.000 2.436 194 Q HA -0.122 4.218 4.340 -0.001 0.000 0.209 194 Q C -0.534 175.368 176.000 -0.163 0.000 0.965 194 Q CA 0.925 56.569 55.803 -0.264 0.000 0.910 194 Q CB -0.381 28.116 28.738 -0.402 0.000 0.980 194 Q HN 0.281 nan 8.270 nan 0.000 0.491 195 Y N 1.831 122.132 120.300 0.002 0.000 2.342 195 Y HA 0.301 4.851 4.550 -0.001 0.000 0.334 195 Y C 0.624 176.315 175.900 -0.349 0.000 1.067 195 Y CA -1.396 56.641 58.100 -0.106 0.000 1.128 195 Y CB 1.473 39.840 38.460 -0.154 0.000 1.200 195 Y HN 0.100 nan 8.280 nan 0.000 0.464 196 S N 2.530 117.950 115.700 -0.467 0.000 2.608 196 S HA 0.187 4.657 4.470 -0.001 0.000 0.261 196 S C -1.966 172.319 174.600 -0.525 0.000 1.314 196 S CA -0.948 56.578 58.200 -1.124 0.000 0.992 196 S CB 1.028 63.825 63.200 -0.673 0.000 0.935 196 S HN 0.441 nan 8.310 nan 0.000 0.564 197 P HA -0.006 nan 4.420 nan 0.000 0.216 197 P C 1.687 178.916 177.300 -0.119 0.000 1.153 197 P CA 1.734 64.709 63.100 -0.209 0.000 0.858 197 P CB -0.516 31.112 31.700 -0.119 0.000 0.789 198 G N -0.451 108.273 108.800 -0.126 0.000 2.408 198 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.217 198 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.217 198 G C 1.523 176.377 174.900 -0.078 0.000 1.150 198 G CA 0.462 45.534 45.100 -0.048 0.000 0.776 198 G HN 0.306 nan 8.290 nan 0.000 0.542 199 Q N -0.535 119.199 119.800 -0.110 0.000 2.167 199 Q HA 0.021 4.360 4.340 -0.001 0.000 0.202 199 Q C 2.577 178.383 176.000 -0.322 0.000 0.970 199 Q CA 0.717 56.448 55.803 -0.120 0.000 0.855 199 Q CB -0.088 28.672 28.738 0.037 0.000 0.911 199 Q HN 0.435 nan 8.270 nan 0.000 0.438 200 R N 0.307 120.649 120.500 -0.264 0.000 2.075 200 R HA -0.104 4.236 4.340 -0.001 0.000 0.232 200 R C 2.090 178.275 176.300 -0.192 0.000 1.126 200 R CA 0.974 56.894 56.100 -0.300 0.000 0.963 200 R CB -0.065 30.170 30.300 -0.107 0.000 0.858 200 R HN 0.092 nan 8.270 nan 0.000 0.435 201 V N 1.430 121.263 119.914 -0.133 0.000 2.295 201 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 201 V C 2.340 178.341 176.094 -0.155 0.000 1.049 201 V CA 2.291 64.519 62.300 -0.120 0.000 1.024 201 V CB -0.548 31.245 31.823 -0.049 0.000 0.648 201 V HN 0.494 nan 8.190 nan 0.000 0.447 202 E N -0.407 119.719 120.200 -0.124 0.000 2.058 202 E HA -0.300 4.050 4.350 -0.001 0.000 0.194 202 E C 2.104 178.625 176.600 -0.132 0.000 0.997 202 E CA 1.946 58.278 56.400 -0.113 0.000 0.801 202 E CB -0.294 29.367 29.700 -0.064 0.000 0.746 202 E HN 0.536 nan 8.360 nan 0.000 0.450 203 F N 1.062 120.812 119.950 -0.333 0.000 2.126 203 F HA -0.170 4.356 4.527 -0.001 0.000 0.299 203 F C 1.877 177.547 175.800 -0.216 0.000 1.096 203 F CA 1.415 59.220 58.000 -0.324 0.000 1.255 203 F CB -0.237 38.413 39.000 -0.584 0.000 0.997 203 F HN 0.029 nan 8.300 nan 0.000 0.479 204 L N -0.780 120.293 121.223 -0.250 0.000 2.017 204 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 204 L C 2.391 179.093 176.870 -0.280 0.000 1.073 204 L CA 1.236 55.907 54.840 -0.281 0.000 0.745 204 L CB -0.863 41.082 42.059 -0.190 0.000 0.894 204 L HN 0.010 nan 8.230 nan 0.000 0.432 205 V N -0.054 119.679 119.914 -0.302 0.000 2.307 205 V HA -0.257 3.862 4.120 -0.001 0.000 0.245 205 V C 2.204 178.182 176.094 -0.193 0.000 1.045 205 V CA 1.854 63.958 62.300 -0.326 0.000 1.024 205 V CB -0.704 30.785 31.823 -0.557 0.000 0.651 205 V HN 0.472 nan 8.190 nan 0.000 0.449 206 N N 0.213 118.789 118.700 -0.207 0.000 2.149 206 N HA -0.147 4.592 4.740 -0.001 0.000 0.188 206 N C 1.884 177.280 175.510 -0.189 0.000 1.019 206 N CA 1.997 54.950 53.050 -0.161 0.000 0.857 206 N CB -0.709 37.699 38.487 -0.131 0.000 0.997 206 N HN 0.469 nan 8.380 nan 0.000 0.426 207 T N 0.315 114.674 114.554 -0.325 0.000 2.777 207 T HA -0.123 4.227 4.350 -0.001 0.000 0.266 207 T C 1.487 176.100 174.700 -0.146 0.000 1.040 207 T CA 0.531 62.434 62.100 -0.329 0.000 1.141 207 T CB -0.191 68.320 68.868 -0.596 0.000 0.868 207 T HN 0.415 nan 8.240 nan 0.000 0.444 208 W N 3.301 124.438 121.300 -0.271 0.000 2.333 208 W HA -0.154 4.506 4.660 -0.001 0.000 0.316 208 W C 2.022 178.456 176.519 -0.141 0.000 1.215 208 W CA 1.687 58.916 57.345 -0.193 0.000 1.278 208 W CB -0.097 29.243 29.460 -0.200 0.000 1.154 208 W HN 0.298 nan 8.180 nan 0.000 0.486 209 K N 0.313 120.717 120.400 0.006 0.000 2.418 209 K HA -0.047 4.273 4.320 -0.001 0.000 0.195 209 K C 1.743 178.285 176.600 -0.097 0.000 1.035 209 K CA 1.377 57.632 56.287 -0.053 0.000 1.003 209 K CB -0.596 31.915 32.500 0.017 0.000 0.793 209 K HN 0.021 nan 8.250 nan 0.000 0.494 210 S N 0.556 116.188 115.700 -0.113 0.000 2.515 210 S HA 0.008 4.478 4.470 -0.001 0.000 0.231 210 S C 0.443 174.969 174.600 -0.124 0.000 0.987 210 S CA -0.094 58.044 58.200 -0.104 0.000 0.936 210 S CB -0.110 63.030 63.200 -0.100 0.000 0.766 210 S HN 0.115 nan 8.310 nan 0.000 0.528 211 K N 1.640 121.929 120.400 -0.185 0.000 2.110 211 K HA 0.385 4.705 4.320 -0.001 0.000 0.263 211 K C 0.546 177.034 176.600 -0.186 0.000 0.975 211 K CA -0.442 55.725 56.287 -0.200 0.000 0.895 211 K CB 1.179 33.503 32.500 -0.292 0.000 1.060 211 K HN 0.133 nan 8.250 nan 0.000 0.448 212 K N 0.952 121.269 120.400 -0.138 0.000 1.984 212 K HA -0.046 4.274 4.320 -0.001 0.000 0.209 212 K C 0.330 176.852 176.600 -0.129 0.000 1.046 212 K CA 1.170 57.392 56.287 -0.108 0.000 0.934 212 K CB 0.118 32.573 32.500 -0.076 0.000 0.717 212 K HN 0.422 nan 8.250 nan 0.000 0.438 213 N N 1.470 120.084 118.700 -0.143 0.000 2.682 213 N HA 0.211 4.950 4.740 -0.001 0.000 0.252 213 N C -2.862 172.511 175.510 -0.228 0.000 1.081 213 N CA -1.257 51.703 53.050 -0.151 0.000 0.844 213 N CB 1.694 40.132 38.487 -0.081 0.000 1.167 213 N HN -0.002 nan 8.380 nan 0.000 0.523 214 P HA 0.065 nan 4.420 nan 0.000 0.268 214 P C -0.248 176.717 177.300 -0.557 0.000 1.204 214 P CA -0.027 62.584 63.100 -0.815 0.000 0.768 214 P CB 1.050 31.577 31.700 -1.955 0.000 0.842 215 M N 2.242 121.605 119.600 -0.395 0.000 2.501 215 M HA 0.663 5.143 4.480 -0.001 0.000 0.293 215 M C -1.075 175.201 176.300 -0.039 0.000 1.192 215 M CA -0.356 54.829 55.300 -0.192 0.000 0.886 215 M CB 2.662 35.207 32.600 -0.093 0.000 1.710 215 M HN 0.556 nan 8.290 nan 0.000 0.457 216 G N 3.457 112.331 108.800 0.122 0.000 2.659 216 G HA2 0.809 4.768 3.960 -0.001 0.000 0.296 216 G HA3 0.809 4.768 3.960 -0.001 0.000 0.296 216 G C -2.043 172.958 174.900 0.168 0.000 1.369 216 G CA -0.586 44.614 45.100 0.167 0.000 0.937 216 G HN 0.786 nan 8.290 nan 0.000 0.485 217 F N -0.256 119.655 119.950 -0.065 0.000 2.654 217 F HA 0.793 5.319 4.527 -0.001 0.000 0.308 217 F C -0.190 175.593 175.800 -0.028 0.000 1.108 217 F CA -1.532 56.429 58.000 -0.066 0.000 0.957 217 F CB 1.428 40.374 39.000 -0.090 0.000 1.309 217 F HN 0.618 nan 8.300 nan 0.000 0.446 218 S N 1.452 117.206 115.700 0.089 0.000 2.554 218 S HA 0.562 5.032 4.470 -0.001 0.000 0.278 218 S C -1.412 173.357 174.600 0.283 0.000 1.242 218 S CA -0.509 57.728 58.200 0.063 0.000 1.051 218 S CB 1.271 64.499 63.200 0.047 0.000 0.986 218 S HN 0.844 nan 8.310 nan 0.000 0.502 219 Y N 1.732 122.124 120.300 0.153 0.000 2.345 219 Y HA 0.414 4.963 4.550 -0.001 0.000 0.331 219 Y C -0.804 175.222 175.900 0.210 0.000 0.959 219 Y CA -0.850 57.423 58.100 0.289 0.000 1.204 219 Y CB 1.197 39.935 38.460 0.463 0.000 1.135 219 Y HN 0.852 nan 8.280 nan 0.000 0.477 220 D N 4.503 124.775 120.400 -0.214 0.000 2.396 220 D HA 0.200 4.840 4.640 -0.001 0.000 0.225 220 D C -0.649 175.534 176.300 -0.195 0.000 1.121 220 D CA -0.051 53.884 54.000 -0.109 0.000 0.853 220 D CB 0.939 41.695 40.800 -0.074 0.000 1.043 220 D HN 0.470 nan 8.370 nan 0.000 0.500 221 T N 3.755 118.369 114.554 0.099 0.000 2.884 221 T HA 0.119 4.468 4.350 -0.001 0.000 0.298 221 T C 0.475 175.268 174.700 0.155 0.000 0.998 221 T CA -0.455 61.775 62.100 0.217 0.000 1.124 221 T CB 0.656 69.855 68.868 0.551 0.000 0.931 221 T HN 0.324 nan 8.240 nan 0.000 0.531 222 R N 2.227 122.778 120.500 0.084 0.000 2.351 222 R HA 0.134 4.474 4.340 -0.001 0.000 0.318 222 R C -0.241 176.157 176.300 0.163 0.000 1.055 222 R CA -0.325 55.816 56.100 0.067 0.000 0.968 222 R CB -0.593 29.688 30.300 -0.032 0.000 0.974 222 R HN 0.912 nan 8.270 nan 0.000 0.439 223 C N 5.783 125.207 119.300 0.207 0.000 3.112 223 C HA -0.171 4.288 4.460 -0.001 0.000 0.265 223 C C 1.348 176.545 174.990 0.344 0.000 1.283 223 C CA 0.225 59.417 59.018 0.289 0.000 2.378 223 C CB -2.845 25.108 27.740 0.355 0.000 1.500 223 C HN 1.032 nan 8.230 nan 0.000 0.483 224 F N 1.559 121.626 119.950 0.196 0.000 2.120 224 F HA -0.196 4.331 4.527 -0.001 0.000 0.300 224 F C 1.923 177.834 175.800 0.184 0.000 1.095 224 F CA 2.348 60.463 58.000 0.192 0.000 1.249 224 F CB 0.053 39.155 39.000 0.170 0.000 0.995 224 F HN 0.492 nan 8.300 nan 0.000 0.480 225 D N -0.462 120.188 120.400 0.415 0.000 2.149 225 D HA -0.164 4.475 4.640 -0.001 0.000 0.198 225 D C 2.453 178.837 176.300 0.140 0.000 0.990 225 D CA 1.584 55.757 54.000 0.288 0.000 0.839 225 D CB -0.492 40.472 40.800 0.274 0.000 0.948 225 D HN 0.218 nan 8.370 nan 0.000 0.460 226 S N -0.580 115.222 115.700 0.170 0.000 2.428 226 S HA -0.100 4.369 4.470 -0.001 0.000 0.230 226 S C 2.003 176.571 174.600 -0.053 0.000 1.014 226 S CA 1.400 59.617 58.200 0.028 0.000 0.957 226 S CB -0.200 63.060 63.200 0.101 0.000 0.784 226 S HN 0.529 nan 8.310 nan 0.000 0.499 227 T N -0.583 114.020 114.554 0.081 0.000 3.088 227 T HA 0.136 4.486 4.350 -0.001 0.000 0.259 227 T C 0.598 175.235 174.700 -0.105 0.000 1.122 227 T CA 0.029 62.160 62.100 0.051 0.000 1.095 227 T CB -0.368 68.498 68.868 -0.004 0.000 0.930 227 T HN 0.026 nan 8.240 nan 0.000 0.508 228 V N 4.044 123.869 119.914 -0.148 0.000 2.479 228 V HA 0.323 4.443 4.120 -0.001 0.000 0.281 228 V C 1.103 177.150 176.094 -0.078 0.000 1.031 228 V CA -0.249 61.982 62.300 -0.114 0.000 1.038 228 V CB 0.064 31.866 31.823 -0.036 0.000 0.981 228 V HN 0.715 nan 8.190 nan 0.000 0.478 229 T N 0.725 115.244 114.554 -0.058 0.000 2.912 229 T HA 0.331 4.681 4.350 -0.001 0.000 0.280 229 T C 1.071 175.751 174.700 -0.033 0.000 0.989 229 T CA -0.178 61.890 62.100 -0.054 0.000 0.995 229 T CB 1.570 70.411 68.868 -0.044 0.000 1.077 229 T HN 0.705 nan 8.240 nan 0.000 0.531 230 E N 0.833 121.013 120.200 -0.032 0.000 2.070 230 E HA -0.333 4.017 4.350 -0.001 0.000 0.197 230 E C 1.915 178.514 176.600 -0.002 0.000 1.004 230 E CA 1.961 58.354 56.400 -0.012 0.000 0.805 230 E CB -0.347 29.345 29.700 -0.013 0.000 0.744 230 E HN 0.778 nan 8.360 nan 0.000 0.451 231 N N 0.633 119.327 118.700 -0.010 0.000 2.037 231 N HA -0.230 4.509 4.740 -0.001 0.000 0.196 231 N C 1.469 176.990 175.510 0.018 0.000 1.034 231 N CA 2.349 55.398 53.050 -0.001 0.000 0.861 231 N CB -0.216 38.257 38.487 -0.023 0.000 1.039 231 N HN 0.205 nan 8.380 nan 0.000 0.427 232 D N -0.174 120.236 120.400 0.017 0.000 2.144 232 D HA -0.098 4.541 4.640 -0.001 0.000 0.199 232 D C 1.973 178.284 176.300 0.017 0.000 0.984 232 D CA 0.984 55.007 54.000 0.038 0.000 0.834 232 D CB -0.235 40.583 40.800 0.030 0.000 0.955 232 D HN 0.487 nan 8.370 nan 0.000 0.465 233 I N 0.547 121.127 120.570 0.017 0.000 2.439 233 I HA -0.147 4.023 4.170 -0.001 0.000 0.251 233 I C 2.428 178.554 176.117 0.014 0.000 1.139 233 I CA 0.732 62.048 61.300 0.026 0.000 1.438 233 I CB -0.034 38.002 38.000 0.060 0.000 1.085 233 I HN -0.128 nan 8.210 nan 0.000 0.427 234 R N 0.090 120.597 120.500 0.012 0.000 2.090 234 R HA -0.046 4.293 4.340 -0.001 0.000 0.228 234 R C 2.348 178.629 176.300 -0.032 0.000 1.110 234 R CA 0.912 57.014 56.100 0.003 0.000 0.973 234 R CB -0.372 29.934 30.300 0.010 0.000 0.869 234 R HN 0.191 nan 8.270 nan 0.000 0.440 235 V N 1.632 121.530 119.914 -0.026 0.000 2.343 235 V HA -0.255 3.865 4.120 -0.001 0.000 0.247 235 V C 1.954 177.954 176.094 -0.158 0.000 1.051 235 V CA 1.876 64.146 62.300 -0.051 0.000 1.036 235 V CB -0.424 31.409 31.823 0.016 0.000 0.654 235 V HN 0.342 nan 8.190 nan 0.000 0.451 236 E N -0.043 120.032 120.200 -0.209 0.000 2.058 236 E HA -0.316 4.033 4.350 -0.001 0.000 0.194 236 E C 2.173 178.277 176.600 -0.826 0.000 0.997 236 E CA 1.683 57.795 56.400 -0.481 0.000 0.801 236 E CB -0.192 29.272 29.700 -0.392 0.000 0.746 236 E HN 0.744 nan 8.360 nan 0.000 0.450 237 E N 0.962 120.910 120.200 -0.419 0.000 2.058 237 E HA -0.222 4.128 4.350 -0.001 0.000 0.194 237 E C 1.966 178.490 176.600 -0.126 0.000 0.997 237 E CA 2.123 58.420 56.400 -0.172 0.000 0.801 237 E CB -0.271 29.453 29.700 0.039 0.000 0.746 237 E HN 0.192 nan 8.360 nan 0.000 0.450 238 S N -0.007 115.620 115.700 -0.121 0.000 2.399 238 S HA -0.147 4.323 4.470 -0.001 0.000 0.231 238 S C 2.112 176.659 174.600 -0.088 0.000 1.022 238 S CA 1.238 59.395 58.200 -0.072 0.000 0.983 238 S CB -0.643 62.523 63.200 -0.056 0.000 0.803 238 S HN 0.400 nan 8.310 nan 0.000 0.480 239 I N 0.083 120.544 120.570 -0.181 0.000 2.233 239 I HA -0.120 4.049 4.170 -0.001 0.000 0.243 239 I C 2.368 178.463 176.117 -0.038 0.000 1.093 239 I CA 1.275 62.484 61.300 -0.151 0.000 1.380 239 I CB -0.578 37.287 38.000 -0.225 0.000 1.067 239 I HN 0.202 nan 8.210 nan 0.000 0.413 240 Y N 1.273 121.561 120.300 -0.020 0.000 2.128 240 Y HA -0.250 4.299 4.550 -0.001 0.000 0.284 240 Y C 2.686 178.585 175.900 -0.002 0.000 1.154 240 Y CA 0.775 58.868 58.100 -0.011 0.000 1.149 240 Y CB -1.192 37.275 38.460 0.012 0.000 0.976 240 Y HN 0.241 nan 8.280 nan 0.000 0.505 241 Q N -1.089 118.803 119.800 0.154 0.000 2.439 241 Q HA -0.131 4.208 4.340 -0.001 0.000 0.211 241 Q C 2.335 178.365 176.000 0.050 0.000 0.978 241 Q CA 0.959 56.815 55.803 0.088 0.000 0.897 241 Q CB -0.897 27.877 28.738 0.060 0.000 0.956 241 Q HN 0.533 nan 8.270 nan 0.000 0.483 242 C N 0.181 119.503 119.300 0.037 0.000 2.432 242 C HA -0.054 4.405 4.460 -0.001 0.000 0.280 242 C C 1.608 176.610 174.990 0.021 0.000 1.353 242 C CA -0.644 58.384 59.018 0.016 0.000 1.766 242 C CB -0.705 27.033 27.740 -0.003 0.000 1.924 242 C HN 0.423 nan 8.230 nan 0.000 0.509 243 C N 1.865 121.187 119.300 0.037 0.000 2.727 243 C HA 0.117 4.577 4.460 -0.001 0.000 0.401 243 C C 0.567 175.573 174.990 0.026 0.000 1.294 243 C CA -0.285 58.750 59.018 0.029 0.000 2.134 243 C CB -0.279 27.483 27.740 0.037 0.000 2.724 243 C HN 0.503 nan 8.230 nan 0.000 0.677 244 D N 1.675 122.086 120.400 0.019 0.000 2.338 244 D HA 0.438 5.077 4.640 -0.001 0.000 0.255 244 D C -0.637 175.678 176.300 0.026 0.000 1.237 244 D CA 0.379 54.391 54.000 0.020 0.000 0.883 244 D CB 0.051 40.859 40.800 0.013 0.000 1.087 244 D HN 0.398 nan 8.370 nan 0.000 0.485 245 L N 2.044 123.287 121.223 0.033 0.000 2.371 245 L HA 0.629 4.968 4.340 -0.001 0.000 0.262 245 L C 0.337 177.235 176.870 0.046 0.000 1.006 245 L CA -1.465 53.401 54.840 0.044 0.000 0.818 245 L CB 1.832 43.923 42.059 0.053 0.000 1.354 245 L HN 0.323 nan 8.230 nan 0.000 0.415 246 A N 1.880 124.734 122.820 0.057 0.000 2.498 246 A HA 0.320 4.639 4.320 -0.001 0.000 0.239 246 A C -1.782 175.842 177.584 0.066 0.000 1.068 246 A CA -0.769 51.306 52.037 0.063 0.000 0.766 246 A CB -0.157 18.891 19.000 0.080 0.000 1.003 246 A HN 0.636 nan 8.150 nan 0.000 0.497 247 P HA -0.190 nan 4.420 nan 0.000 0.216 247 P C 1.151 178.480 177.300 0.048 0.000 1.153 247 P CA 1.661 64.787 63.100 0.043 0.000 0.858 247 P CB 0.155 31.875 31.700 0.033 0.000 0.789 248 E N -0.734 119.517 120.200 0.086 0.000 2.110 248 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 248 E C 2.058 178.727 176.600 0.114 0.000 0.988 248 E CA 1.227 57.694 56.400 0.112 0.000 0.804 248 E CB -0.474 29.386 29.700 0.267 0.000 0.745 248 E HN 0.165 nan 8.360 nan 0.000 0.458 249 A N 1.524 124.447 122.820 0.171 0.000 1.902 249 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 249 A C 2.045 179.675 177.584 0.075 0.000 1.181 249 A CA 1.145 53.282 52.037 0.167 0.000 0.623 249 A CB -0.374 18.720 19.000 0.157 0.000 0.818 249 A HN 0.097 nan 8.150 nan 0.000 0.443 250 R N -0.985 119.548 120.500 0.054 0.000 2.096 250 R HA -0.224 4.115 4.340 -0.001 0.000 0.240 250 R C 2.495 178.794 176.300 -0.001 0.000 1.139 250 R CA 1.862 57.983 56.100 0.035 0.000 0.952 250 R CB -0.362 29.956 30.300 0.029 0.000 0.854 250 R HN 0.665 nan 8.270 nan 0.000 0.436 251 Q N 0.683 120.460 119.800 -0.038 0.000 2.046 251 Q HA -0.072 4.267 4.340 -0.001 0.000 0.200 251 Q C 1.979 177.887 176.000 -0.154 0.000 0.975 251 Q CA 1.971 57.719 55.803 -0.092 0.000 0.836 251 Q CB -0.253 28.417 28.738 -0.113 0.000 0.896 251 Q HN 0.334 nan 8.270 nan 0.000 0.428 252 A N 0.270 122.951 122.820 -0.231 0.000 1.902 252 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 252 A C 2.153 179.654 177.584 -0.137 0.000 1.181 252 A CA 1.529 53.366 52.037 -0.334 0.000 0.623 252 A CB -0.785 17.874 19.000 -0.568 0.000 0.818 252 A HN 0.497 nan 8.150 nan 0.000 0.443 253 I N -0.589 119.967 120.570 -0.023 0.000 2.226 253 I HA -0.266 3.904 4.170 -0.001 0.000 0.245 253 I C 2.564 178.720 176.117 0.065 0.000 1.100 253 I CA 1.809 63.152 61.300 0.071 0.000 1.374 253 I CB -0.228 37.845 38.000 0.122 0.000 1.057 253 I HN 0.398 nan 8.210 nan 0.000 0.413 254 K N 0.837 121.247 120.400 0.017 0.000 2.026 254 K HA -0.168 4.152 4.320 -0.001 0.000 0.208 254 K C 2.287 178.863 176.600 -0.040 0.000 1.048 254 K CA 1.894 58.184 56.287 0.004 0.000 0.929 254 K CB 0.009 32.503 32.500 -0.011 0.000 0.713 254 K HN 0.161 nan 8.250 nan 0.000 0.439 255 S N 1.531 117.175 115.700 -0.095 0.000 2.353 255 S HA -0.141 4.329 4.470 -0.001 0.000 0.222 255 S C 1.955 176.458 174.600 -0.163 0.000 1.035 255 S CA 1.388 59.511 58.200 -0.128 0.000 1.025 255 S CB -0.335 62.760 63.200 -0.174 0.000 0.902 255 S HN 0.259 nan 8.310 nan 0.000 0.440 256 L N 0.987 122.080 121.223 -0.216 0.000 2.042 256 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 256 L C 2.734 179.290 176.870 -0.525 0.000 1.076 256 L CA 1.284 55.866 54.840 -0.430 0.000 0.749 256 L CB -1.146 40.627 42.059 -0.478 0.000 0.893 256 L HN 0.330 nan 8.230 nan 0.000 0.432 257 T N -0.934 113.529 114.554 -0.152 0.000 2.674 257 T HA -0.167 4.183 4.350 -0.001 0.000 0.265 257 T C 1.788 176.497 174.700 0.016 0.000 1.039 257 T CA 1.298 63.454 62.100 0.092 0.000 1.150 257 T CB -0.122 68.866 68.868 0.201 0.000 0.864 257 T HN 0.326 nan 8.240 nan 0.000 0.427 258 E N 0.985 121.173 120.200 -0.020 0.000 2.106 258 E HA -0.050 4.299 4.350 -0.001 0.000 0.192 258 E C 2.401 178.980 176.600 -0.035 0.000 0.984 258 E CA 0.932 57.321 56.400 -0.017 0.000 0.806 258 E CB -0.126 29.561 29.700 -0.022 0.000 0.750 258 E HN 0.462 nan 8.360 nan 0.000 0.458 259 R N -0.473 119.978 120.500 -0.083 0.000 2.189 259 R HA 0.083 4.423 4.340 -0.001 0.000 0.203 259 R C 1.946 178.184 176.300 -0.104 0.000 1.012 259 R CA 0.398 56.448 56.100 -0.084 0.000 1.015 259 R CB 0.205 30.444 30.300 -0.101 0.000 0.938 259 R HN 0.050 nan 8.270 nan 0.000 0.472 260 L N -2.137 118.985 121.223 -0.168 0.000 2.664 260 L HA 0.187 4.527 4.340 -0.001 0.000 0.198 260 L C 1.322 178.182 176.870 -0.016 0.000 1.057 260 L CA 0.748 55.494 54.840 -0.157 0.000 0.871 260 L CB -0.178 41.705 42.059 -0.294 0.000 1.364 260 L HN -0.124 nan 8.230 nan 0.000 0.483 261 Y N 0.312 120.622 120.300 0.017 0.000 2.200 261 Y HA -0.021 4.529 4.550 -0.001 0.000 0.290 261 Y C 2.546 178.449 175.900 0.005 0.000 1.137 261 Y CA 1.390 59.510 58.100 0.032 0.000 1.163 261 Y CB -0.786 37.718 38.460 0.072 0.000 0.988 261 Y HN 0.112 nan 8.280 nan 0.000 0.518 262 I N -1.002 119.654 120.570 0.143 0.000 2.315 262 I HA -0.068 4.101 4.170 -0.001 0.000 0.248 262 I C 1.254 177.372 176.117 0.002 0.000 1.117 262 I CA 1.394 62.732 61.300 0.063 0.000 1.404 262 I CB -0.321 37.709 38.000 0.049 0.000 1.071 262 I HN 0.305 nan 8.210 nan 0.000 0.419 263 G N -1.182 107.598 108.800 -0.033 0.000 2.317 263 G HA2 0.488 4.447 3.960 -0.001 0.000 0.293 263 G HA3 0.488 4.447 3.960 -0.001 0.000 0.293 263 G C -0.960 173.769 174.900 -0.285 0.000 1.287 263 G CA -0.144 44.860 45.100 -0.161 0.000 0.850 263 G HN 0.441 nan 8.290 nan 0.000 0.515 264 G N -1.076 107.268 108.800 -0.759 0.000 2.352 264 G HA2 0.640 4.599 3.960 -0.001 0.000 0.302 264 G HA3 0.640 4.599 3.960 -0.001 0.000 0.302 264 G C -3.473 170.816 174.900 -1.018 0.000 1.370 264 G CA 0.145 44.751 45.100 -0.823 0.000 0.918 264 G HN 0.816 nan 8.290 nan 0.000 0.610 265 P HA 0.502 nan 4.420 nan 0.000 0.274 265 P C -0.586 176.632 177.300 -0.137 0.000 1.231 265 P CA -0.195 62.798 63.100 -0.178 0.000 0.790 265 P CB 1.176 32.898 31.700 0.036 0.000 0.951 266 L N 1.931 123.125 121.223 -0.048 0.000 2.325 266 L HA 0.436 4.775 4.340 -0.001 0.000 0.281 266 L C 0.340 177.227 176.870 0.029 0.000 1.004 266 L CA -0.236 54.602 54.840 -0.003 0.000 0.823 266 L CB 1.790 43.899 42.059 0.083 0.000 1.236 266 L HN 0.259 nan 8.230 nan 0.000 0.415 267 T N 1.499 116.043 114.554 -0.017 0.000 2.829 267 T HA 0.330 4.680 4.350 -0.001 0.000 0.280 267 T C -0.111 174.573 174.700 -0.026 0.000 0.999 267 T CA -0.800 61.289 62.100 -0.017 0.000 0.983 267 T CB 1.442 70.281 68.868 -0.049 0.000 0.968 267 T HN 0.641 nan 8.240 nan 0.000 0.446 268 N N 0.793 119.494 118.700 0.001 0.000 2.327 268 N HA 0.100 4.840 4.740 -0.001 0.000 0.257 268 N C 1.420 176.920 175.510 -0.017 0.000 1.281 268 N CA -0.269 52.781 53.050 0.001 0.000 0.942 268 N CB 0.127 38.624 38.487 0.016 0.000 1.199 268 N HN 0.460 nan 8.380 nan 0.000 0.532 269 S N -1.278 114.422 115.700 -0.001 0.000 2.474 269 S HA -0.056 4.414 4.470 -0.001 0.000 0.235 269 S C 0.964 175.559 174.600 -0.008 0.000 0.997 269 S CA 0.527 58.727 58.200 0.001 0.000 0.949 269 S CB -0.401 62.815 63.200 0.027 0.000 0.766 269 S HN 0.614 nan 8.310 nan 0.000 0.517 270 K N 0.584 120.980 120.400 -0.005 0.000 2.444 270 K HA 0.253 4.573 4.320 -0.001 0.000 0.193 270 K C 1.188 177.780 176.600 -0.014 0.000 1.024 270 K CA 0.414 56.697 56.287 -0.007 0.000 1.077 270 K CB -0.028 32.472 32.500 0.000 0.000 0.833 270 K HN 0.551 nan 8.250 nan 0.000 0.517 271 G N 1.984 110.772 108.800 -0.019 0.000 2.141 271 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.231 271 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.231 271 G C -0.302 174.594 174.900 -0.007 0.000 0.984 271 G CA -0.196 44.890 45.100 -0.024 0.000 0.660 271 G HN 0.334 nan 8.290 nan 0.000 0.525 272 Q N 0.144 119.947 119.800 0.004 0.000 2.235 272 Q HA 0.308 4.648 4.340 -0.001 0.000 0.250 272 Q C 0.424 176.443 176.000 0.033 0.000 0.909 272 Q CA -0.598 55.217 55.803 0.019 0.000 0.910 272 Q CB 1.018 29.771 28.738 0.024 0.000 1.223 272 Q HN 0.387 nan 8.270 nan 0.000 0.432 273 N N 1.684 120.411 118.700 0.044 0.000 2.438 273 N HA -0.031 4.709 4.740 -0.001 0.000 0.267 273 N C -0.169 175.401 175.510 0.101 0.000 1.222 273 N CA -0.308 52.781 53.050 0.066 0.000 0.930 273 N CB 0.533 39.060 38.487 0.067 0.000 1.083 273 N HN 0.617 nan 8.380 nan 0.000 0.476 274 C N 3.022 122.403 119.300 0.134 0.000 2.634 274 C HA 0.353 4.812 4.460 -0.001 0.000 0.268 274 C C 1.276 176.467 174.990 0.335 0.000 1.322 274 C CA 0.633 59.788 59.018 0.227 0.000 1.737 274 C CB -1.199 26.694 27.740 0.256 0.000 1.976 274 C HN 0.984 nan 8.230 nan 0.000 0.547 275 G N -1.269 107.657 108.800 0.210 0.000 2.247 275 G HA2 0.163 4.123 3.960 -0.001 0.000 0.229 275 G HA3 0.163 4.123 3.960 -0.001 0.000 0.229 275 G C -1.856 173.102 174.900 0.097 0.000 1.345 275 G CA -0.413 44.772 45.100 0.142 0.000 1.100 275 G HN 0.074 nan 8.290 nan 0.000 0.473 276 Y N 0.790 120.981 120.300 -0.181 0.000 2.470 276 Y HA 0.746 5.296 4.550 -0.001 0.000 0.341 276 Y C 0.058 175.808 175.900 -0.250 0.000 1.021 276 Y CA -0.796 57.205 58.100 -0.164 0.000 1.025 276 Y CB 1.935 40.312 38.460 -0.137 0.000 1.266 276 Y HN 0.724 nan 8.280 nan 0.000 0.448 277 R N 4.608 124.831 120.500 -0.461 0.000 2.407 277 R HA 0.543 4.882 4.340 -0.001 0.000 0.303 277 R C -0.634 175.436 176.300 -0.383 0.000 0.981 277 R CA -0.505 55.303 56.100 -0.487 0.000 0.905 277 R CB 0.825 30.913 30.300 -0.353 0.000 1.099 277 R HN 0.909 nan 8.270 nan 0.000 0.459 278 R N 3.261 123.521 120.500 -0.400 0.000 2.668 278 R HA 0.209 4.549 4.340 -0.001 0.000 0.435 278 R C -0.655 175.493 176.300 -0.253 0.000 1.059 278 R CA -0.316 55.655 56.100 -0.215 0.000 1.073 278 R CB 0.453 30.677 30.300 -0.127 0.000 1.401 278 R HN 0.790 nan 8.270 nan 0.000 0.590 279 C N -1.982 117.128 119.300 -0.318 0.000 3.321 279 C HA 0.612 5.071 4.460 -0.001 0.000 0.363 279 C C -0.378 174.542 174.990 -0.116 0.000 1.705 279 C CA -1.503 57.375 59.018 -0.234 0.000 1.298 279 C CB 1.226 28.760 27.740 -0.343 0.000 2.086 279 C HN 0.356 nan 8.230 nan 0.000 0.438 280 R N 1.238 121.725 120.500 -0.023 0.000 2.484 280 R HA 0.496 4.836 4.340 -0.001 0.000 0.293 280 R C 0.150 176.505 176.300 0.092 0.000 1.023 280 R CA 0.889 57.026 56.100 0.063 0.000 1.037 280 R CB -0.026 30.353 30.300 0.131 0.000 0.951 280 R HN 1.192 nan 8.270 nan 0.000 0.418 281 A N 3.611 126.496 122.820 0.108 0.000 2.409 281 A HA 0.195 4.514 4.320 -0.001 0.000 0.262 281 A C 1.012 178.693 177.584 0.162 0.000 1.113 281 A CA 0.156 52.280 52.037 0.145 0.000 0.790 281 A CB 0.355 19.449 19.000 0.156 0.000 1.046 281 A HN 1.022 nan 8.150 nan 0.000 0.496 282 S N 2.068 117.879 115.700 0.184 0.000 2.489 282 S HA 0.084 4.553 4.470 -0.001 0.000 0.228 282 S C 1.077 175.769 174.600 0.154 0.000 0.995 282 S CA 0.717 59.018 58.200 0.169 0.000 0.934 282 S CB 0.057 63.364 63.200 0.178 0.000 0.771 282 S HN 1.264 nan 8.310 nan 0.000 0.522 283 G N 2.000 110.914 108.800 0.189 0.000 4.486 283 G HA2 0.527 4.487 3.960 -0.001 0.000 0.306 283 G HA3 0.527 4.487 3.960 -0.001 0.000 0.306 283 G C -0.194 174.826 174.900 0.201 0.000 1.331 283 G CA -0.110 45.102 45.100 0.187 0.000 1.113 283 G HN 0.610 nan 8.290 nan 0.000 0.594 284 V N -2.284 117.732 119.914 0.170 0.000 3.046 284 V HA 0.594 4.713 4.120 -0.001 0.000 0.316 284 V C 1.338 177.504 176.094 0.121 0.000 1.104 284 V CA -0.945 61.472 62.300 0.195 0.000 1.006 284 V CB 1.738 33.748 31.823 0.313 0.000 1.058 284 V HN 0.086 nan 8.190 nan 0.000 0.440 285 L N 2.452 123.761 121.223 0.144 0.000 2.079 285 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 285 L C 2.344 179.220 176.870 0.009 0.000 1.081 285 L CA 3.115 58.021 54.840 0.109 0.000 0.752 285 L CB -0.675 41.477 42.059 0.156 0.000 0.896 285 L HN 1.100 nan 8.230 nan 0.000 0.433 286 T N -5.891 108.586 114.554 -0.128 0.000 3.129 286 T HA -0.004 4.346 4.350 -0.001 0.000 0.251 286 T C 1.579 176.212 174.700 -0.112 0.000 1.117 286 T CA 0.731 62.707 62.100 -0.206 0.000 1.034 286 T CB -0.684 67.896 68.868 -0.480 0.000 0.968 286 T HN 0.264 nan 8.240 nan 0.000 0.526 287 T N 2.001 116.524 114.554 -0.052 0.000 2.652 287 T HA -0.159 4.190 4.350 -0.001 0.000 0.267 287 T C 2.215 176.930 174.700 0.025 0.000 1.039 287 T CA 1.795 63.903 62.100 0.013 0.000 1.153 287 T CB -0.639 68.262 68.868 0.055 0.000 0.863 287 T HN 0.556 nan 8.240 nan 0.000 0.428 288 S N -0.255 115.436 115.700 -0.014 0.000 2.348 288 S HA -0.156 4.313 4.470 -0.001 0.000 0.221 288 S C 2.456 177.074 174.600 0.031 0.000 1.033 288 S CA 1.478 59.665 58.200 -0.021 0.000 1.010 288 S CB -0.995 62.087 63.200 -0.196 0.000 0.891 288 S HN 0.657 nan 8.310 nan 0.000 0.442 289 C N 1.298 120.585 119.300 -0.021 0.000 2.413 289 C HA 0.051 4.511 4.460 -0.001 0.000 0.276 289 C C 2.863 177.894 174.990 0.069 0.000 1.236 289 C CA 1.169 60.192 59.018 0.008 0.000 1.735 289 C CB -1.846 25.869 27.740 -0.042 0.000 2.031 289 C HN 0.743 nan 8.230 nan 0.000 0.474 290 G N 0.454 109.305 108.800 0.085 0.000 2.446 290 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.217 290 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.217 290 G C 1.505 176.485 174.900 0.134 0.000 1.168 290 G CA 1.224 46.382 45.100 0.098 0.000 0.771 290 G HN 0.597 nan 8.290 nan 0.000 0.551 291 N N 0.370 119.155 118.700 0.142 0.000 2.120 291 N HA -0.082 4.658 4.740 -0.001 0.000 0.188 291 N C 2.441 177.998 175.510 0.078 0.000 1.024 291 N CA 1.682 54.827 53.050 0.158 0.000 0.852 291 N CB -0.797 37.691 38.487 0.002 0.000 1.003 291 N HN 0.278 nan 8.380 nan 0.000 0.424 292 T N 1.777 116.379 114.554 0.081 0.000 2.708 292 T HA -0.027 4.323 4.350 -0.001 0.000 0.266 292 T C 2.147 176.919 174.700 0.121 0.000 1.037 292 T CA 0.739 62.901 62.100 0.105 0.000 1.146 292 T CB -0.353 68.634 68.868 0.198 0.000 0.865 292 T HN 0.128 nan 8.240 nan 0.000 0.435 293 L N 0.646 121.915 121.223 0.077 0.000 2.017 293 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 293 L C 2.980 179.930 176.870 0.134 0.000 1.073 293 L CA 1.351 56.220 54.840 0.049 0.000 0.745 293 L CB -1.111 40.934 42.059 -0.024 0.000 0.894 293 L HN 0.287 nan 8.230 nan 0.000 0.432 294 T N -1.377 113.279 114.554 0.170 0.000 2.777 294 T HA -0.228 4.121 4.350 -0.001 0.000 0.266 294 T C 2.011 176.904 174.700 0.322 0.000 1.040 294 T CA 1.450 63.686 62.100 0.227 0.000 1.141 294 T CB -0.442 68.589 68.868 0.271 0.000 0.868 294 T HN 0.453 nan 8.240 nan 0.000 0.444 295 C N 0.597 120.145 119.300 0.413 0.000 2.432 295 C HA -0.073 4.386 4.460 -0.001 0.000 0.277 295 C C 2.393 177.537 174.990 0.257 0.000 1.249 295 C CA 0.468 59.721 59.018 0.391 0.000 1.725 295 C CB -1.387 26.466 27.740 0.188 0.000 2.028 295 C HN 0.660 nan 8.230 nan 0.000 0.477 296 Y N 0.977 121.335 120.300 0.096 0.000 2.181 296 Y HA -0.128 4.421 4.550 -0.001 0.000 0.288 296 Y C 2.158 178.073 175.900 0.024 0.000 1.146 296 Y CA 2.072 60.204 58.100 0.053 0.000 1.164 296 Y CB -0.493 37.980 38.460 0.022 0.000 0.982 296 Y HN 0.348 nan 8.280 nan 0.000 0.515 297 L N 1.093 122.416 121.223 0.168 0.000 1.994 297 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 297 L C 2.099 178.895 176.870 -0.122 0.000 1.071 297 L CA 2.033 56.859 54.840 -0.023 0.000 0.745 297 L CB -0.961 41.047 42.059 -0.086 0.000 0.892 297 L HN 0.133 nan 8.230 nan 0.000 0.431 298 K N -0.405 119.979 120.400 -0.028 0.000 2.097 298 K HA -0.085 4.234 4.320 -0.001 0.000 0.206 298 K C 2.062 178.665 176.600 0.006 0.000 1.049 298 K CA 1.356 57.621 56.287 -0.037 0.000 0.933 298 K CB -0.395 32.174 32.500 0.115 0.000 0.717 298 K HN 0.518 nan 8.250 nan 0.000 0.442 299 A N 1.033 123.854 122.820 0.001 0.000 1.897 299 A HA -0.106 4.214 4.320 -0.001 0.000 0.215 299 A C 2.192 179.791 177.584 0.025 0.000 1.181 299 A CA 1.598 53.659 52.037 0.041 0.000 0.620 299 A CB -0.446 18.653 19.000 0.165 0.000 0.821 299 A HN 0.171 nan 8.150 nan 0.000 0.443 300 S N 0.406 116.003 115.700 -0.171 0.000 2.370 300 S HA -0.086 4.384 4.470 -0.001 0.000 0.226 300 S C 2.270 176.816 174.600 -0.091 0.000 1.033 300 S CA 1.272 59.344 58.200 -0.214 0.000 1.011 300 S CB -0.504 62.433 63.200 -0.439 0.000 0.852 300 S HN 0.790 nan 8.310 nan 0.000 0.457 301 A N 1.622 124.401 122.820 -0.068 0.000 1.898 301 A HA 0.177 4.496 4.320 -0.001 0.000 0.216 301 A C 2.373 180.022 177.584 0.107 0.000 1.181 301 A CA 1.601 53.657 52.037 0.031 0.000 0.620 301 A CB -1.070 17.924 19.000 -0.011 0.000 0.819 301 A HN 0.521 nan 8.150 nan 0.000 0.442 302 A N -1.077 121.807 122.820 0.106 0.000 1.930 302 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 302 A C 2.264 179.862 177.584 0.023 0.000 1.175 302 A CA 1.601 53.576 52.037 -0.105 0.000 0.627 302 A CB -1.225 17.328 19.000 -0.744 0.000 0.815 302 A HN 0.586 nan 8.150 nan 0.000 0.443 303 C N -0.738 118.678 119.300 0.194 0.000 2.425 303 C HA -0.084 4.376 4.460 -0.001 0.000 0.277 303 C C 2.885 177.887 174.990 0.021 0.000 1.280 303 C CA 1.083 60.236 59.018 0.224 0.000 1.744 303 C CB -1.281 26.559 27.740 0.167 0.000 1.989 303 C HN 0.605 nan 8.230 nan 0.000 0.491 304 R N 1.150 121.573 120.500 -0.128 0.000 2.075 304 R HA -0.061 4.278 4.340 -0.001 0.000 0.232 304 R C 2.413 178.449 176.300 -0.440 0.000 1.126 304 R CA 1.524 57.413 56.100 -0.353 0.000 0.963 304 R CB -0.555 29.381 30.300 -0.607 0.000 0.858 304 R HN 0.528 nan 8.270 nan 0.000 0.435 305 A N 1.587 124.203 122.820 -0.341 0.000 1.877 305 A HA -0.084 4.236 4.320 -0.001 0.000 0.216 305 A C 2.290 179.862 177.584 -0.019 0.000 1.186 305 A CA 1.728 53.711 52.037 -0.090 0.000 0.620 305 A CB -0.527 18.476 19.000 0.006 0.000 0.822 305 A HN 0.386 nan 8.150 nan 0.000 0.443 306 A N -1.518 121.309 122.820 0.011 0.000 2.208 306 A HA 0.248 4.568 4.320 -0.001 0.000 0.209 306 A C 1.002 178.608 177.584 0.038 0.000 1.161 306 A CA 0.887 52.956 52.037 0.053 0.000 0.782 306 A CB -0.445 18.641 19.000 0.143 0.000 0.816 306 A HN 0.515 nan 8.150 nan 0.000 0.477 307 K N -1.637 118.770 120.400 0.011 0.000 3.117 307 K HA -0.158 4.161 4.320 -0.001 0.000 0.269 307 K C -0.948 175.662 176.600 0.018 0.000 1.098 307 K CA 0.197 56.488 56.287 0.007 0.000 0.785 307 K CB -1.887 30.622 32.500 0.014 0.000 1.242 307 K HN 0.333 nan 8.250 nan 0.000 0.491 308 L N 1.323 122.567 121.223 0.035 0.000 2.455 308 L HA 0.050 4.389 4.340 -0.001 0.000 0.272 308 L C 0.762 177.641 176.870 0.014 0.000 1.174 308 L CA 0.663 55.524 54.840 0.035 0.000 0.869 308 L CB 0.696 42.795 42.059 0.067 0.000 1.130 308 L HN 0.132 nan 8.230 nan 0.000 0.474 309 Q N 2.747 122.549 119.800 0.003 0.000 2.295 309 Q HA 0.167 4.507 4.340 -0.001 0.000 0.259 309 Q C -0.157 175.832 176.000 -0.018 0.000 0.976 309 Q CA 0.021 55.819 55.803 -0.008 0.000 0.923 309 Q CB 0.301 29.032 28.738 -0.013 0.000 1.185 309 Q HN 0.490 nan 8.270 nan 0.000 0.410 310 D N 2.107 122.497 120.400 -0.017 0.000 2.735 310 D HA -0.198 4.442 4.640 -0.001 0.000 0.235 310 D C -1.019 175.263 176.300 -0.029 0.000 1.175 310 D CA 0.865 54.852 54.000 -0.023 0.000 0.683 310 D CB -1.090 39.690 40.800 -0.034 0.000 1.008 310 D HN 0.634 nan 8.370 nan 0.000 0.416 311 C N 0.326 119.615 119.300 -0.018 0.000 2.576 311 C HA 0.714 5.174 4.460 -0.001 0.000 0.401 311 C C 0.777 175.755 174.990 -0.021 0.000 1.314 311 C CA -0.694 58.308 59.018 -0.027 0.000 1.855 311 C CB 0.452 28.186 27.740 -0.011 0.000 2.537 311 C HN 0.440 nan 8.230 nan 0.000 0.578 312 T N 5.708 120.243 114.554 -0.031 0.000 2.824 312 T HA 0.575 4.925 4.350 -0.001 0.000 0.280 312 T C -0.242 174.470 174.700 0.020 0.000 0.995 312 T CA -0.112 62.001 62.100 0.021 0.000 1.009 312 T CB 1.230 70.101 68.868 0.005 0.000 0.955 312 T HN 0.791 nan 8.240 nan 0.000 0.452 313 M N 2.850 122.506 119.600 0.094 0.000 2.598 313 M HA 0.669 5.149 4.480 -0.001 0.000 0.317 313 M C -1.436 174.978 176.300 0.189 0.000 1.179 313 M CA -0.938 54.407 55.300 0.076 0.000 0.936 313 M CB 1.971 34.584 32.600 0.021 0.000 1.713 313 M HN 0.357 nan 8.290 nan 0.000 0.460 314 L N 2.966 124.259 121.223 0.117 0.000 2.441 314 L HA 0.698 5.037 4.340 -0.001 0.000 0.270 314 L C -1.770 175.102 176.870 0.002 0.000 0.973 314 L CA -0.419 54.483 54.840 0.104 0.000 0.842 314 L CB 1.803 43.964 42.059 0.169 0.000 1.239 314 L HN 0.464 nan 8.230 nan 0.000 0.406 315 V N 4.428 124.323 119.914 -0.031 0.000 2.531 315 V HA 0.569 4.689 4.120 -0.001 0.000 0.301 315 V C -0.460 175.472 176.094 -0.270 0.000 1.034 315 V CA -0.698 61.565 62.300 -0.062 0.000 0.865 315 V CB 1.897 33.776 31.823 0.093 0.000 0.995 315 V HN 0.754 nan 8.190 nan 0.000 0.424 316 N N 3.942 122.417 118.700 -0.375 0.000 2.682 316 N HA 0.454 5.194 4.740 -0.001 0.000 0.252 316 N C 0.676 176.029 175.510 -0.261 0.000 1.081 316 N CA 0.442 53.033 53.050 -0.766 0.000 0.844 316 N CB 2.076 39.970 38.487 -0.989 0.000 1.167 316 N HN 1.043 nan 8.380 nan 0.000 0.523 317 G N 3.363 112.165 108.800 0.004 0.000 2.629 317 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.313 317 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.313 317 G C 0.578 175.310 174.900 -0.281 0.000 1.217 317 G CA 0.917 46.013 45.100 -0.006 0.000 0.994 317 G HN 0.631 nan 8.290 nan 0.000 0.549 318 D N 1.263 121.391 120.400 -0.453 0.000 2.363 318 D HA 0.088 4.728 4.640 -0.001 0.000 0.226 318 D C 0.539 176.673 176.300 -0.276 0.000 1.020 318 D CA 1.002 54.522 54.000 -0.800 0.000 0.892 318 D CB -0.144 40.193 40.800 -0.771 0.000 0.900 318 D HN 0.435 nan 8.370 nan 0.000 0.531 319 D N 0.442 120.751 120.400 -0.152 0.000 2.280 319 D HA 0.309 4.949 4.640 -0.001 0.000 0.243 319 D C -0.990 175.284 176.300 -0.044 0.000 1.129 319 D CA -0.567 53.396 54.000 -0.061 0.000 0.848 319 D CB 1.119 41.879 40.800 -0.067 0.000 1.107 319 D HN 0.052 nan 8.370 nan 0.000 0.471 320 L N 5.015 126.257 121.223 0.032 0.000 2.409 320 L HA 0.503 4.843 4.340 -0.001 0.000 0.272 320 L C -1.703 175.159 176.870 -0.014 0.000 0.980 320 L CA -0.665 54.200 54.840 0.042 0.000 0.826 320 L CB 1.920 44.072 42.059 0.155 0.000 1.268 320 L HN 0.150 nan 8.230 nan 0.000 0.407 321 V N 5.947 125.809 119.914 -0.086 0.000 2.656 321 V HA 0.762 4.881 4.120 -0.001 0.000 0.307 321 V C -1.304 174.620 176.094 -0.284 0.000 1.051 321 V CA -0.377 61.809 62.300 -0.191 0.000 0.893 321 V CB 2.370 34.123 31.823 -0.115 0.000 0.999 321 V HN 0.573 nan 8.190 nan 0.000 0.426 322 V N 7.696 127.255 119.914 -0.591 0.000 2.487 322 V HA 0.578 4.698 4.120 -0.001 0.000 0.298 322 V C -0.303 175.554 176.094 -0.396 0.000 1.028 322 V CA -0.475 61.474 62.300 -0.585 0.000 0.860 322 V CB 1.691 32.899 31.823 -1.025 0.000 0.991 322 V HN 0.729 nan 8.190 nan 0.000 0.427 323 I N 5.082 125.543 120.570 -0.182 0.000 2.406 323 I HA 0.683 4.853 4.170 -0.001 0.000 0.290 323 I C 0.081 176.137 176.117 -0.101 0.000 0.999 323 I CA -0.315 60.935 61.300 -0.083 0.000 1.124 323 I CB 1.556 39.548 38.000 -0.013 0.000 1.289 323 I HN 0.886 nan 8.210 nan 0.000 0.441 324 C N 2.624 121.867 119.300 -0.096 0.000 3.336 324 C HA 0.578 5.037 4.460 -0.001 0.000 0.352 324 C C -0.461 174.460 174.990 -0.115 0.000 1.567 324 C CA -0.898 58.071 59.018 -0.082 0.000 1.328 324 C CB 1.790 29.515 27.740 -0.025 0.000 1.922 324 C HN 0.623 nan 8.230 nan 0.000 0.439 325 E N 1.786 121.937 120.200 -0.082 0.000 2.289 325 E HA 0.294 4.643 4.350 -0.001 0.000 0.278 325 E C 0.020 176.595 176.600 -0.040 0.000 1.032 325 E CA 0.482 56.833 56.400 -0.082 0.000 0.854 325 E CB 1.633 31.296 29.700 -0.061 0.000 1.046 325 E HN 0.703 nan 8.360 nan 0.000 0.409 326 S N 1.613 117.295 115.700 -0.028 0.000 2.565 326 S HA 0.312 4.781 4.470 -0.001 0.000 0.276 326 S C 0.363 174.977 174.600 0.023 0.000 1.326 326 S CA -0.056 58.173 58.200 0.048 0.000 1.045 326 S CB 0.628 63.912 63.200 0.140 0.000 0.918 326 S HN 0.513 nan 8.310 nan 0.000 0.505 327 A N 3.450 126.292 122.820 0.037 0.000 2.630 327 A HA 0.648 4.967 4.320 -0.001 0.000 0.290 327 A C 0.910 178.501 177.584 0.011 0.000 1.267 327 A CA 0.150 52.195 52.037 0.015 0.000 0.950 327 A CB -1.038 17.970 19.000 0.012 0.000 1.144 327 A HN 1.907 nan 8.150 nan 0.000 0.527 328 G N -0.892 107.915 108.800 0.012 0.000 2.712 328 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.686 328 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.686 328 G C 0.685 175.593 174.900 0.014 0.000 1.321 328 G CA 0.180 45.265 45.100 -0.026 0.000 0.813 328 G HN 1.217 nan 8.290 nan 0.000 0.599 329 T N -1.804 112.726 114.554 -0.040 0.000 2.684 329 T HA -0.167 4.183 4.350 -0.001 0.000 0.267 329 T C 2.085 176.825 174.700 0.065 0.000 1.036 329 T CA 2.227 64.352 62.100 0.042 0.000 1.148 329 T CB -0.242 68.601 68.868 -0.041 0.000 0.863 329 T HN 0.640 nan 8.240 nan 0.000 0.436 330 Q N 0.775 120.588 119.800 0.022 0.000 2.119 330 Q HA 0.002 4.342 4.340 -0.001 0.000 0.201 330 Q C 2.426 178.437 176.000 0.018 0.000 0.972 330 Q CA 1.073 56.887 55.803 0.018 0.000 0.847 330 Q CB -0.295 28.445 28.738 0.005 0.000 0.903 330 Q HN 0.618 nan 8.270 nan 0.000 0.433 331 E N 0.967 121.178 120.200 0.019 0.000 2.072 331 E HA -0.124 4.226 4.350 -0.001 0.000 0.190 331 E C 1.558 178.170 176.600 0.019 0.000 0.982 331 E CA 0.696 57.106 56.400 0.015 0.000 0.803 331 E CB 0.054 29.762 29.700 0.013 0.000 0.755 331 E HN 0.332 nan 8.360 nan 0.000 0.453 332 D N 0.812 121.238 120.400 0.044 0.000 2.123 332 D HA -0.147 4.493 4.640 -0.001 0.000 0.196 332 D C 1.839 178.131 176.300 -0.013 0.000 0.992 332 D CA 1.465 55.486 54.000 0.035 0.000 0.833 332 D CB -0.269 40.605 40.800 0.125 0.000 0.954 332 D HN 0.143 nan 8.370 nan 0.000 0.455 333 A N 1.065 123.892 122.820 0.012 0.000 1.908 333 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 333 A C 2.335 179.903 177.584 -0.026 0.000 1.181 333 A CA 2.445 54.474 52.037 -0.013 0.000 0.627 333 A CB -0.765 18.242 19.000 0.012 0.000 0.818 333 A HN 0.250 nan 8.150 nan 0.000 0.445 334 A N -0.706 122.107 122.820 -0.011 0.000 1.877 334 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 334 A C 2.445 180.021 177.584 -0.013 0.000 1.186 334 A CA 2.061 54.093 52.037 -0.009 0.000 0.620 334 A CB -0.958 18.041 19.000 -0.001 0.000 0.822 334 A HN 0.448 nan 8.150 nan 0.000 0.443 335 S N -0.091 115.598 115.700 -0.018 0.000 2.383 335 S HA -0.102 4.367 4.470 -0.001 0.000 0.229 335 S C 1.784 176.364 174.600 -0.033 0.000 1.030 335 S CA 1.425 59.616 58.200 -0.016 0.000 1.002 335 S CB -0.412 62.776 63.200 -0.019 0.000 0.829 335 S HN 0.502 nan 8.310 nan 0.000 0.467 336 L N 0.753 121.906 121.223 -0.116 0.000 2.109 336 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 336 L C 2.607 179.462 176.870 -0.025 0.000 1.086 336 L CA 1.089 55.804 54.840 -0.208 0.000 0.760 336 L CB -0.530 41.304 42.059 -0.376 0.000 0.910 336 L HN 0.271 nan 8.230 nan 0.000 0.437 337 R N -0.407 120.085 120.500 -0.013 0.000 2.092 337 R HA -0.100 4.239 4.340 -0.001 0.000 0.231 337 R C 2.217 178.534 176.300 0.027 0.000 1.119 337 R CA 1.015 57.125 56.100 0.017 0.000 0.970 337 R CB -0.325 29.975 30.300 0.001 0.000 0.864 337 R HN 0.213 nan 8.270 nan 0.000 0.440 338 V N 0.637 120.566 119.914 0.025 0.000 2.379 338 V HA -0.213 3.907 4.120 -0.001 0.000 0.245 338 V C 1.918 178.022 176.094 0.015 0.000 1.044 338 V CA 1.500 63.807 62.300 0.012 0.000 1.036 338 V CB -0.598 31.234 31.823 0.015 0.000 0.664 338 V HN 0.176 nan 8.190 nan 0.000 0.453 339 F N 1.712 121.615 119.950 -0.079 0.000 2.065 339 F HA -0.291 4.235 4.527 -0.001 0.000 0.298 339 F C 2.477 178.218 175.800 -0.098 0.000 1.112 339 F CA 2.557 60.506 58.000 -0.085 0.000 1.212 339 F CB -0.624 38.322 39.000 -0.090 0.000 0.975 339 F HN 0.115 nan 8.300 nan 0.000 0.476 340 T N -0.118 114.520 114.554 0.139 0.000 2.720 340 T HA -0.218 4.132 4.350 -0.001 0.000 0.268 340 T C 1.731 176.421 174.700 -0.018 0.000 1.037 340 T CA 1.762 63.949 62.100 0.145 0.000 1.144 340 T CB -0.374 68.653 68.868 0.265 0.000 0.864 340 T HN 0.392 nan 8.240 nan 0.000 0.444 341 E N 0.750 120.919 120.200 -0.053 0.000 2.058 341 E HA -0.107 4.242 4.350 -0.001 0.000 0.194 341 E C 2.511 178.979 176.600 -0.220 0.000 0.997 341 E CA 1.095 57.435 56.400 -0.101 0.000 0.801 341 E CB -0.207 29.447 29.700 -0.076 0.000 0.746 341 E HN 0.488 nan 8.360 nan 0.000 0.450 342 A N 0.889 123.519 122.820 -0.317 0.000 1.873 342 A HA -0.180 4.140 4.320 -0.001 0.000 0.215 342 A C 2.130 179.246 177.584 -0.781 0.000 1.186 342 A CA 1.215 52.908 52.037 -0.574 0.000 0.616 342 A CB -0.316 18.392 19.000 -0.486 0.000 0.823 342 A HN 0.132 nan 8.150 nan 0.000 0.442 343 M N -0.128 119.150 119.600 -0.536 0.000 2.108 343 M HA -0.128 4.352 4.480 -0.001 0.000 0.261 343 M C 2.177 178.399 176.300 -0.130 0.000 1.066 343 M CA 2.085 57.202 55.300 -0.305 0.000 1.107 343 M CB -1.941 30.407 32.600 -0.419 0.000 1.356 343 M HN 0.461 nan 8.290 nan 0.000 0.406 344 T N 0.008 114.486 114.554 -0.126 0.000 2.746 344 T HA -0.116 4.233 4.350 -0.001 0.000 0.267 344 T C 1.962 176.601 174.700 -0.101 0.000 1.039 344 T CA 1.123 63.186 62.100 -0.060 0.000 1.142 344 T CB -0.206 68.638 68.868 -0.041 0.000 0.866 344 T HN 0.383 nan 8.240 nan 0.000 0.444 345 R N 0.009 120.377 120.500 -0.220 0.000 2.120 345 R HA -0.062 4.278 4.340 -0.001 0.000 0.234 345 R C 1.735 177.972 176.300 -0.105 0.000 1.123 345 R CA 1.090 57.066 56.100 -0.208 0.000 0.975 345 R CB -0.279 29.831 30.300 -0.316 0.000 0.866 345 R HN 0.437 nan 8.270 nan 0.000 0.446 346 Y N 0.072 120.317 120.300 -0.092 0.000 2.578 346 Y HA 0.073 4.623 4.550 -0.001 0.000 0.297 346 Y C 0.944 176.794 175.900 -0.084 0.000 1.176 346 Y CA -0.274 57.761 58.100 -0.109 0.000 1.315 346 Y CB -0.236 38.180 38.460 -0.074 0.000 1.031 346 Y HN -0.045 nan 8.280 nan 0.000 0.524 347 S N -0.127 115.614 115.700 0.069 0.000 3.884 347 S HA -0.094 4.376 4.470 -0.001 0.000 0.374 347 S C -0.110 174.509 174.600 0.032 0.000 0.971 347 S CA 0.445 58.672 58.200 0.046 0.000 1.152 347 S CB -1.433 61.783 63.200 0.027 0.000 0.877 347 S HN 0.720 nan 8.310 nan 0.000 0.491 348 A N 1.929 124.788 122.820 0.065 0.000 3.422 348 A HA 0.596 4.916 4.320 -0.001 0.000 0.271 348 A C -2.435 175.274 177.584 0.207 0.000 1.104 348 A CA -0.775 51.324 52.037 0.103 0.000 0.899 348 A CB 0.964 20.046 19.000 0.136 0.000 1.309 348 A HN 0.416 nan 8.150 nan 0.000 0.580 349 P HA 0.351 nan 4.420 nan 0.000 0.274 349 P C -2.933 174.429 177.300 0.103 0.000 1.237 349 P CA -1.229 61.937 63.100 0.110 0.000 0.793 349 P CB 0.518 32.214 31.700 -0.007 0.000 0.977 350 P HA 0.125 nan 4.420 nan 0.000 0.282 350 P C 0.716 177.948 177.300 -0.114 0.000 1.249 350 P CA 0.005 62.996 63.100 -0.182 0.000 0.806 350 P CB 0.973 32.529 31.700 -0.240 0.000 0.984 351 G N 2.870 111.599 108.800 -0.119 0.000 2.699 351 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.214 351 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.214 351 G C -0.506 174.349 174.900 -0.075 0.000 1.350 351 G CA 0.185 45.242 45.100 -0.071 0.000 0.873 351 G HN 0.661 nan 8.290 nan 0.000 0.570 352 D N 2.004 122.359 120.400 -0.076 0.000 2.277 352 D HA 0.445 5.084 4.640 -0.001 0.000 0.249 352 D C -2.488 173.762 176.300 -0.083 0.000 1.134 352 D CA -1.725 52.238 54.000 -0.062 0.000 0.863 352 D CB 1.299 42.074 40.800 -0.041 0.000 1.143 352 D HN 0.136 nan 8.370 nan 0.000 0.458 353 P HA 0.094 nan 4.420 nan 0.000 0.266 353 P C -2.326 174.958 177.300 -0.028 0.000 1.195 353 P CA -1.021 62.054 63.100 -0.042 0.000 0.768 353 P CB -0.186 31.504 31.700 -0.016 0.000 0.838 354 P HA 0.109 nan 4.420 nan 0.000 0.271 354 P C -0.516 176.765 177.300 -0.032 0.000 1.216 354 P CA 0.240 63.365 63.100 0.042 0.000 0.776 354 P CB 0.654 32.435 31.700 0.135 0.000 0.881 355 Q N 2.496 122.294 119.800 -0.002 0.000 2.365 355 Q HA 0.462 4.802 4.340 -0.001 0.000 0.269 355 Q C -2.438 173.543 176.000 -0.031 0.000 1.061 355 Q CA -2.195 53.593 55.803 -0.026 0.000 0.816 355 Q CB 1.530 30.270 28.738 0.002 0.000 1.325 355 Q HN 0.338 nan 8.270 nan 0.000 0.446 356 P HA 0.179 nan 4.420 nan 0.000 0.275 356 P C -0.486 176.651 177.300 -0.270 0.000 1.227 356 P CA -0.079 62.912 63.100 -0.183 0.000 0.781 356 P CB 0.930 32.503 31.700 -0.211 0.000 0.906 357 E N 1.698 121.706 120.200 -0.319 0.000 2.238 357 E HA 0.230 4.580 4.350 -0.001 0.000 0.267 357 E C -0.521 175.903 176.600 -0.293 0.000 0.887 357 E CA -0.389 55.871 56.400 -0.234 0.000 0.769 357 E CB 1.493 31.163 29.700 -0.049 0.000 1.187 357 E HN 0.434 nan 8.360 nan 0.000 0.416 358 Y N -0.354 120.101 120.300 0.258 0.000 2.481 358 Y HA 0.166 4.715 4.550 -0.001 0.000 0.247 358 Y C 0.394 176.569 175.900 0.457 0.000 1.151 358 Y CA -0.389 57.933 58.100 0.371 0.000 1.238 358 Y CB 1.014 39.583 38.460 0.183 0.000 1.179 358 Y HN 0.237 nan 8.280 nan 0.000 0.524 359 D N 0.668 121.230 120.400 0.270 0.000 2.440 359 D HA 0.111 4.751 4.640 -0.001 0.000 0.239 359 D C 0.823 176.897 176.300 -0.377 0.000 1.084 359 D CA -0.257 53.753 54.000 0.017 0.000 0.843 359 D CB 1.678 42.500 40.800 0.036 0.000 1.097 359 D HN 0.114 nan 8.370 nan 0.000 0.531 360 L N 4.505 125.176 121.223 -0.921 0.000 2.081 360 L HA -0.142 4.198 4.340 -0.001 0.000 0.212 360 L C 1.649 178.196 176.870 -0.539 0.000 1.080 360 L CA 1.978 56.117 54.840 -1.169 0.000 0.754 360 L CB -0.301 40.863 42.059 -1.491 0.000 0.893 360 L HN 0.504 nan 8.230 nan 0.000 0.433 361 E N -0.803 119.188 120.200 -0.348 0.000 2.265 361 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 361 E C 1.955 178.467 176.600 -0.148 0.000 0.996 361 E CA 0.979 57.259 56.400 -0.200 0.000 0.832 361 E CB -0.175 29.454 29.700 -0.118 0.000 0.756 361 E HN 0.546 nan 8.360 nan 0.000 0.491 362 L N 0.760 121.896 121.223 -0.145 0.000 2.592 362 L HA 0.179 4.519 4.340 -0.001 0.000 0.227 362 L C 0.633 177.450 176.870 -0.088 0.000 1.127 362 L CA -0.183 54.605 54.840 -0.087 0.000 0.884 362 L CB 0.235 42.266 42.059 -0.045 0.000 1.065 362 L HN 0.019 nan 8.230 nan 0.000 0.457 363 I N 0.198 120.686 120.570 -0.137 0.000 2.352 363 I HA 0.081 4.251 4.170 -0.001 0.000 0.290 363 I C 0.069 176.133 176.117 -0.087 0.000 1.036 363 I CA 0.235 61.469 61.300 -0.109 0.000 1.336 363 I CB 1.148 39.058 38.000 -0.150 0.000 1.407 363 I HN -0.083 nan 8.210 nan 0.000 0.497 364 T N 5.301 119.826 114.554 -0.048 0.000 2.758 364 T HA 0.462 4.811 4.350 -0.001 0.000 0.285 364 T C -0.244 174.446 174.700 -0.017 0.000 0.981 364 T CA -0.593 61.490 62.100 -0.029 0.000 0.965 364 T CB 0.898 69.757 68.868 -0.016 0.000 0.927 364 T HN 0.735 nan 8.240 nan 0.000 0.448 365 S N 0.871 116.564 115.700 -0.013 0.000 2.540 365 S HA 0.417 4.886 4.470 -0.001 0.000 0.275 365 S C 0.103 174.711 174.600 0.014 0.000 1.123 365 S CA -0.848 57.347 58.200 -0.008 0.000 0.907 365 S CB 0.643 63.823 63.200 -0.034 0.000 1.081 365 S HN 0.882 nan 8.310 nan 0.000 0.476 366 C N 1.990 121.301 119.300 0.018 0.000 4.114 366 C HA -0.160 4.300 4.460 -0.001 0.000 0.300 366 C C 1.401 176.457 174.990 0.109 0.000 1.423 366 C CA 0.763 59.815 59.018 0.057 0.000 2.034 366 C CB -3.306 24.462 27.740 0.046 0.000 1.299 366 C HN 1.615 nan 8.230 nan 0.000 0.727 367 S N -1.739 114.011 115.700 0.083 0.000 3.380 367 S HA -0.194 4.275 4.470 -0.001 0.000 0.300 367 S C 0.297 174.952 174.600 0.091 0.000 1.255 367 S CA 1.305 59.555 58.200 0.084 0.000 0.963 367 S CB -0.785 62.481 63.200 0.110 0.000 1.106 367 S HN 1.022 nan 8.310 nan 0.000 0.629 368 S N 1.645 117.402 115.700 0.096 0.000 2.632 368 S HA 0.749 5.219 4.470 -0.001 0.000 0.289 368 S C -0.483 174.139 174.600 0.037 0.000 1.115 368 S CA -0.940 57.333 58.200 0.121 0.000 0.889 368 S CB 1.811 65.144 63.200 0.223 0.000 1.116 368 S HN 0.578 nan 8.310 nan 0.000 0.486 369 N N -0.529 118.178 118.700 0.012 0.000 2.329 369 N HA 0.423 5.162 4.740 -0.001 0.000 0.282 369 N C -1.362 174.081 175.510 -0.112 0.000 1.198 369 N CA -0.583 52.429 53.050 -0.063 0.000 0.790 369 N CB 1.151 39.593 38.487 -0.076 0.000 1.579 369 N HN 0.324 nan 8.380 nan 0.000 0.475 370 V N 0.715 120.533 119.914 -0.159 0.000 2.655 370 V HA 0.274 4.394 4.120 -0.001 0.000 0.300 370 V C 0.541 176.508 176.094 -0.212 0.000 1.044 370 V CA 0.335 62.518 62.300 -0.195 0.000 1.095 370 V CB 0.836 32.531 31.823 -0.213 0.000 0.952 370 V HN 0.848 nan 8.190 nan 0.000 0.485 371 S N 3.086 118.589 115.700 -0.328 0.000 2.685 371 S HA 0.790 5.260 4.470 -0.001 0.000 0.282 371 S C -1.200 173.329 174.600 -0.119 0.000 1.159 371 S CA -0.524 57.519 58.200 -0.261 0.000 0.833 371 S CB 2.103 65.106 63.200 -0.328 0.000 1.151 371 S HN 0.407 nan 8.310 nan 0.000 0.485 372 V N 1.646 121.591 119.914 0.051 0.000 2.540 372 V HA 0.919 5.039 4.120 -0.001 0.000 0.302 372 V C 0.309 176.420 176.094 0.028 0.000 1.035 372 V CA -0.180 62.100 62.300 -0.032 0.000 0.873 372 V CB 0.883 32.569 31.823 -0.228 0.000 0.992 372 V HN 1.069 nan 8.190 nan 0.000 0.428 373 A N 3.410 126.109 122.820 -0.202 0.000 2.486 373 A HA 0.947 5.266 4.320 -0.001 0.000 0.277 373 A C -1.359 175.757 177.584 -0.780 0.000 1.282 373 A CA -0.584 51.156 52.037 -0.495 0.000 0.784 373 A CB 1.530 20.077 19.000 -0.754 0.000 1.350 373 A HN 0.907 nan 8.150 nan 0.000 0.454 374 H N 0.114 118.841 119.070 -0.572 0.000 2.600 374 H HA 0.465 5.021 4.556 -0.001 0.000 0.357 374 H C -0.868 174.138 175.328 -0.535 0.000 1.106 374 H CA -0.433 55.287 56.048 -0.546 0.000 1.193 374 H CB 1.376 30.755 29.762 -0.638 0.000 1.594 374 H HN 0.798 nan 8.280 nan 0.000 0.526 375 D N 1.325 121.630 120.400 -0.158 0.000 2.447 375 D HA 0.185 4.824 4.640 -0.001 0.000 0.265 375 D C 1.422 177.791 176.300 0.114 0.000 1.250 375 D CA -0.213 53.760 54.000 -0.046 0.000 1.046 375 D CB 0.286 41.068 40.800 -0.030 0.000 1.095 375 D HN 0.508 nan 8.370 nan 0.000 0.555 376 A N -0.061 122.834 122.820 0.124 0.000 1.927 376 A HA -0.202 4.117 4.320 -0.001 0.000 0.220 376 A C 2.014 179.672 177.584 0.123 0.000 1.185 376 A CA 2.866 54.984 52.037 0.136 0.000 0.639 376 A CB -1.253 17.794 19.000 0.080 0.000 0.820 376 A HN 0.675 nan 8.150 nan 0.000 0.451 377 S N -2.315 113.438 115.700 0.089 0.000 2.593 377 S HA 0.405 4.874 4.470 -0.001 0.000 0.217 377 S C 1.344 175.989 174.600 0.075 0.000 0.966 377 S CA 0.984 59.223 58.200 0.065 0.000 0.914 377 S CB -0.101 63.124 63.200 0.042 0.000 0.776 377 S HN 1.980 nan 8.310 nan 0.000 0.523 378 G N 1.338 110.209 108.800 0.119 0.000 2.175 378 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.244 378 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.244 378 G C -0.010 174.965 174.900 0.126 0.000 0.982 378 G CA 0.104 45.268 45.100 0.106 0.000 0.641 378 G HN 0.735 nan 8.290 nan 0.000 0.527 379 K N 1.208 121.653 120.400 0.074 0.000 2.451 379 K HA 0.343 4.663 4.320 -0.001 0.000 0.280 379 K C 0.781 177.358 176.600 -0.038 0.000 1.020 379 K CA -0.468 55.837 56.287 0.031 0.000 1.008 379 K CB 0.215 32.715 32.500 0.000 0.000 0.917 379 K HN 0.318 nan 8.250 nan 0.000 0.478 380 R N 2.547 122.983 120.500 -0.106 0.000 2.421 380 R HA 0.067 4.406 4.340 -0.001 0.000 0.305 380 R C -0.493 175.575 176.300 -0.387 0.000 1.039 380 R CA -0.177 55.686 56.100 -0.396 0.000 1.003 380 R CB 0.906 30.993 30.300 -0.355 0.000 0.959 380 R HN 0.383 nan 8.270 nan 0.000 0.427 381 V N 5.496 125.141 119.914 -0.448 0.000 2.531 381 V HA 0.359 4.478 4.120 -0.001 0.000 0.301 381 V C -1.273 174.670 176.094 -0.252 0.000 1.034 381 V CA -0.807 61.323 62.300 -0.283 0.000 0.865 381 V CB 1.222 32.945 31.823 -0.167 0.000 0.995 381 V HN 0.584 nan 8.190 nan 0.000 0.424 382 Y N 7.655 127.956 120.300 0.002 0.000 2.319 382 Y HA 0.639 5.188 4.550 -0.001 0.000 0.328 382 Y C 0.095 176.069 175.900 0.124 0.000 1.133 382 Y CA 0.168 58.283 58.100 0.025 0.000 1.265 382 Y CB 1.038 39.469 38.460 -0.049 0.000 1.218 382 Y HN 0.819 nan 8.280 nan 0.000 0.508 383 Y N 0.508 120.869 120.300 0.102 0.000 2.655 383 Y HA 0.706 5.255 4.550 -0.001 0.000 0.336 383 Y C -2.242 173.710 175.900 0.088 0.000 1.154 383 Y CA -2.127 56.013 58.100 0.065 0.000 1.055 383 Y CB 0.718 39.191 38.460 0.022 0.000 1.295 383 Y HN 0.448 nan 8.280 nan 0.000 0.465 384 L N 1.940 123.178 121.223 0.024 0.000 2.295 384 L HA 0.769 5.109 4.340 -0.001 0.000 0.285 384 L C 0.005 176.980 176.870 0.175 0.000 1.035 384 L CA 0.299 55.136 54.840 -0.005 0.000 0.806 384 L CB 1.565 43.670 42.059 0.076 0.000 1.214 384 L HN 1.051 nan 8.230 nan 0.000 0.426 385 T N 4.051 118.678 114.554 0.121 0.000 2.669 385 T HA 0.858 5.207 4.350 -0.001 0.000 0.283 385 T C -1.223 173.612 174.700 0.225 0.000 1.019 385 T CA -0.599 61.687 62.100 0.310 0.000 1.039 385 T CB 1.140 70.157 68.868 0.248 0.000 1.374 385 T HN 0.824 nan 8.240 nan 0.000 0.523 386 R N 0.340 120.911 120.500 0.118 0.000 2.728 386 R HA 0.454 4.794 4.340 -0.001 0.000 0.274 386 R C -1.497 174.636 176.300 -0.279 0.000 1.030 386 R CA -0.995 55.051 56.100 -0.090 0.000 0.876 386 R CB 0.376 30.567 30.300 -0.182 0.000 1.259 386 R HN 0.520 nan 8.270 nan 0.000 0.468 387 D N 1.952 122.192 120.400 -0.267 0.000 2.472 387 D HA 0.032 4.671 4.640 -0.001 0.000 0.248 387 D C -1.342 174.597 176.300 -0.602 0.000 1.174 387 D CA -1.104 52.689 54.000 -0.346 0.000 0.883 387 D CB 1.223 41.903 40.800 -0.200 0.000 1.149 387 D HN 0.341 nan 8.370 nan 0.000 0.488 388 P HA 0.003 nan 4.420 nan 0.000 0.249 388 P C 1.149 178.122 177.300 -0.544 0.000 1.229 388 P CA 0.157 62.571 63.100 -1.144 0.000 0.788 388 P CB 0.305 31.227 31.700 -1.295 0.000 1.072 389 T N -0.158 114.200 114.554 -0.328 0.000 2.607 389 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 389 T C 1.773 176.417 174.700 -0.092 0.000 1.049 389 T CA 2.402 64.410 62.100 -0.153 0.000 1.162 389 T CB -1.174 67.647 68.868 -0.079 0.000 0.863 389 T HN 0.192 nan 8.240 nan 0.000 0.424 390 T N 2.280 116.786 114.554 -0.080 0.000 2.674 390 T HA -0.059 4.291 4.350 -0.001 0.000 0.265 390 T C -0.515 174.164 174.700 -0.036 0.000 1.039 390 T CA 1.282 63.372 62.100 -0.017 0.000 1.150 390 T CB -1.288 67.610 68.868 0.049 0.000 0.864 390 T HN 0.329 nan 8.240 nan 0.000 0.427 391 P HA -0.035 nan 4.420 nan 0.000 0.216 391 P C 1.413 178.755 177.300 0.070 0.000 1.150 391 P CA 1.016 64.125 63.100 0.015 0.000 0.843 391 P CB -0.195 31.481 31.700 -0.039 0.000 0.787 392 L N -1.703 119.515 121.223 -0.007 0.000 2.131 392 L HA -0.030 4.309 4.340 -0.001 0.000 0.206 392 L C 2.483 179.401 176.870 0.081 0.000 1.087 392 L CA 1.140 56.004 54.840 0.040 0.000 0.767 392 L CB -1.107 40.934 42.059 -0.030 0.000 0.917 392 L HN -0.072 nan 8.230 nan 0.000 0.441 393 A N 0.493 123.351 122.820 0.064 0.000 1.902 393 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 393 A C 2.394 180.065 177.584 0.145 0.000 1.181 393 A CA 1.552 53.651 52.037 0.103 0.000 0.623 393 A CB -0.431 18.610 19.000 0.070 0.000 0.818 393 A HN 0.317 nan 8.150 nan 0.000 0.443 394 R N -0.693 119.869 120.500 0.104 0.000 2.090 394 R HA 0.021 4.361 4.340 -0.001 0.000 0.228 394 R C 2.468 178.938 176.300 0.282 0.000 1.110 394 R CA 0.999 57.178 56.100 0.132 0.000 0.973 394 R CB -0.425 29.894 30.300 0.032 0.000 0.869 394 R HN 0.502 nan 8.270 nan 0.000 0.440 395 A N 1.382 124.395 122.820 0.321 0.000 1.940 395 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 395 A C 2.356 180.205 177.584 0.442 0.000 1.176 395 A CA 1.763 54.120 52.037 0.533 0.000 0.631 395 A CB -0.599 18.731 19.000 0.551 0.000 0.814 395 A HN 0.397 nan 8.150 nan 0.000 0.446 396 A N -1.461 121.517 122.820 0.263 0.000 1.902 396 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 396 A C 2.105 179.807 177.584 0.197 0.000 1.181 396 A CA 1.340 53.483 52.037 0.177 0.000 0.623 396 A CB -0.833 18.254 19.000 0.145 0.000 0.818 396 A HN 0.816 nan 8.150 nan 0.000 0.443 397 W N 0.991 122.346 121.300 0.093 0.000 2.358 397 W HA -0.139 4.520 4.660 -0.001 0.000 0.303 397 W C 1.701 178.278 176.519 0.097 0.000 1.208 397 W CA 1.928 59.312 57.345 0.065 0.000 1.274 397 W CB -0.269 29.208 29.460 0.030 0.000 1.138 397 W HN 0.556 nan 8.180 nan 0.000 0.515 398 E N -0.964 119.505 120.200 0.447 0.000 2.347 398 E HA -0.118 4.232 4.350 -0.001 0.000 0.196 398 E C 1.919 178.724 176.600 0.341 0.000 1.008 398 E CA 1.332 57.976 56.400 0.407 0.000 0.852 398 E CB -0.151 29.840 29.700 0.485 0.000 0.783 398 E HN 0.074 nan 8.360 nan 0.000 0.505 399 T N 0.409 115.138 114.554 0.292 0.000 2.821 399 T HA -0.085 4.265 4.350 -0.001 0.000 0.267 399 T C 1.774 176.469 174.700 -0.009 0.000 1.046 399 T CA 1.275 63.456 62.100 0.135 0.000 1.139 399 T CB 0.052 69.006 68.868 0.143 0.000 0.871 399 T HN 0.223 nan 8.240 nan 0.000 0.454 400 A N 0.174 122.958 122.820 -0.061 0.000 2.288 400 A HA 0.333 4.653 4.320 -0.001 0.000 0.216 400 A C 0.864 178.350 177.584 -0.164 0.000 1.199 400 A CA -0.093 51.858 52.037 -0.144 0.000 0.891 400 A CB 0.484 19.358 19.000 -0.210 0.000 0.923 400 A HN 0.103 nan 8.150 nan 0.000 0.500 401 R N 0.318 120.751 120.500 -0.112 0.000 2.574 401 R HA 0.337 4.676 4.340 -0.001 0.000 0.288 401 R C -1.662 174.643 176.300 0.008 0.000 1.004 401 R CA -0.539 55.536 56.100 -0.042 0.000 0.895 401 R CB 0.853 31.196 30.300 0.072 0.000 1.191 401 R HN 0.474 nan 8.270 nan 0.000 0.444 402 H N 0.928 120.078 119.070 0.133 0.000 2.848 402 H HA 0.127 4.683 4.556 -0.001 0.000 0.317 402 H C 0.600 176.007 175.328 0.130 0.000 1.046 402 H CA 0.733 56.858 56.048 0.130 0.000 1.470 402 H CB 0.676 30.489 29.762 0.085 0.000 1.483 402 H HN 0.514 nan 8.280 nan 0.000 0.548 403 T N 0.395 115.083 114.554 0.223 0.000 2.932 403 T HA 0.244 4.593 4.350 -0.001 0.000 0.289 403 T C -1.563 173.167 174.700 0.050 0.000 1.039 403 T CA -2.142 60.040 62.100 0.137 0.000 1.024 403 T CB 1.612 70.554 68.868 0.123 0.000 1.090 403 T HN 0.255 nan 8.240 nan 0.000 0.496 404 P HA 0.080 nan 4.420 nan 0.000 0.216 404 P C -0.170 177.054 177.300 -0.127 0.000 1.150 404 P CA 0.477 63.523 63.100 -0.089 0.000 0.837 404 P CB 0.106 31.774 31.700 -0.054 0.000 0.786 405 V N 1.072 120.941 119.914 -0.076 0.000 2.483 405 V HA 0.203 4.322 4.120 -0.001 0.000 0.297 405 V C -0.276 175.763 176.094 -0.092 0.000 1.027 405 V CA -0.856 61.388 62.300 -0.092 0.000 0.855 405 V CB 1.666 33.447 31.823 -0.070 0.000 0.995 405 V HN -0.010 nan 8.190 nan 0.000 0.424 406 N N 3.272 121.869 118.700 -0.172 0.000 2.605 406 N HA 0.030 4.770 4.740 -0.001 0.000 0.258 406 N C 1.470 176.751 175.510 -0.381 0.000 1.156 406 N CA 0.280 53.152 53.050 -0.297 0.000 1.008 406 N CB 1.432 39.588 38.487 -0.552 0.000 1.354 406 N HN 0.844 nan 8.380 nan 0.000 0.509 407 S N 1.853 117.461 115.700 -0.155 0.000 2.400 407 S HA -0.142 4.327 4.470 -0.001 0.000 0.232 407 S C 1.827 176.388 174.600 -0.065 0.000 1.025 407 S CA 0.357 58.511 58.200 -0.077 0.000 0.993 407 S CB -0.440 62.768 63.200 0.012 0.000 0.808 407 S HN 0.794 nan 8.310 nan 0.000 0.478 408 W N 1.163 122.372 121.300 -0.152 0.000 2.363 408 W HA -0.009 4.651 4.660 -0.001 0.000 0.296 408 W C 1.690 178.131 176.519 -0.130 0.000 1.212 408 W CA 0.465 57.678 57.345 -0.221 0.000 1.260 408 W CB -0.987 27.959 29.460 -0.856 0.000 1.131 408 W HN 0.363 nan 8.180 nan 0.000 0.530 409 L N 2.777 123.463 121.223 -0.896 0.000 2.044 409 L HA 0.201 4.540 4.340 -0.001 0.000 0.205 409 L C 2.689 179.396 176.870 -0.273 0.000 1.075 409 L CA 2.773 57.130 54.840 -0.805 0.000 0.747 409 L CB -1.412 39.917 42.059 -1.217 0.000 0.903 409 L HN 0.039 nan 8.230 nan 0.000 0.435 410 G N -0.527 108.133 108.800 -0.233 0.000 2.440 410 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.218 410 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.218 410 G C 1.457 176.379 174.900 0.037 0.000 1.154 410 G CA 0.847 45.892 45.100 -0.092 0.000 0.767 410 G HN 0.444 nan 8.290 nan 0.000 0.552 411 N N 0.532 119.310 118.700 0.130 0.000 2.188 411 N HA -0.007 4.732 4.740 -0.001 0.000 0.184 411 N C 2.243 177.906 175.510 0.255 0.000 1.018 411 N CA 0.590 53.839 53.050 0.332 0.000 0.858 411 N CB -0.180 38.574 38.487 0.445 0.000 0.989 411 N HN 0.351 nan 8.380 nan 0.000 0.426 412 I N 0.813 121.496 120.570 0.188 0.000 2.226 412 I HA -0.229 3.941 4.170 -0.001 0.000 0.245 412 I C 1.976 178.162 176.117 0.115 0.000 1.100 412 I CA 0.876 62.270 61.300 0.157 0.000 1.374 412 I CB -0.139 38.020 38.000 0.264 0.000 1.057 412 I HN 0.035 nan 8.210 nan 0.000 0.413 413 I N -0.141 120.501 120.570 0.120 0.000 2.179 413 I HA -0.302 3.867 4.170 -0.001 0.000 0.242 413 I C 2.439 178.678 176.117 0.203 0.000 1.088 413 I CA 1.337 62.733 61.300 0.160 0.000 1.357 413 I CB -0.183 37.908 38.000 0.151 0.000 1.051 413 I HN 0.211 nan 8.210 nan 0.000 0.409 414 M N -1.091 118.545 119.600 0.061 0.000 2.388 414 M HA -0.055 4.425 4.480 -0.001 0.000 0.265 414 M C 0.916 177.045 176.300 -0.285 0.000 1.088 414 M CA 1.500 56.730 55.300 -0.118 0.000 1.134 414 M CB -0.474 31.936 32.600 -0.316 0.000 1.384 414 M HN 0.183 nan 8.290 nan 0.000 0.447 415 Y N -0.483 119.824 120.300 0.011 0.000 2.720 415 Y HA 0.470 5.020 4.550 -0.001 0.000 0.268 415 Y C 1.804 177.475 175.900 -0.383 0.000 1.142 415 Y CA -0.373 57.620 58.100 -0.178 0.000 1.193 415 Y CB -0.886 37.395 38.460 -0.299 0.000 1.176 415 Y HN 0.144 nan 8.280 nan 0.000 0.542 416 A N 1.088 123.731 122.820 -0.296 0.000 1.927 416 A HA -0.176 4.143 4.320 -0.001 0.000 0.220 416 A C -0.382 176.939 177.584 -0.438 0.000 1.185 416 A CA 1.775 53.586 52.037 -0.376 0.000 0.639 416 A CB -1.409 17.343 19.000 -0.413 0.000 0.820 416 A HN 0.281 nan 8.150 nan 0.000 0.451 417 P HA 0.040 nan 4.420 nan 0.000 0.241 417 P C 0.620 177.714 177.300 -0.344 0.000 1.191 417 P CA 1.122 63.983 63.100 -0.398 0.000 0.771 417 P CB -0.437 31.045 31.700 -0.363 0.000 0.929 418 T N -2.541 111.813 114.554 -0.334 0.000 2.868 418 T HA 0.128 4.478 4.350 -0.001 0.000 0.292 418 T C 1.100 175.429 174.700 -0.618 0.000 1.028 418 T CA -0.653 61.205 62.100 -0.402 0.000 1.059 418 T CB 0.599 69.047 68.868 -0.700 0.000 0.991 418 T HN -0.170 nan 8.240 nan 0.000 0.531 419 L N 1.773 122.517 121.223 -0.799 0.000 2.046 419 L HA 0.064 4.403 4.340 -0.001 0.000 0.208 419 L C 2.376 178.951 176.870 -0.491 0.000 1.077 419 L CA 1.550 55.887 54.840 -0.839 0.000 0.747 419 L CB -0.981 40.429 42.059 -1.081 0.000 0.896 419 L HN 0.917 nan 8.230 nan 0.000 0.432 420 W N -0.756 120.341 121.300 -0.340 0.000 2.418 420 W HA 0.108 4.767 4.660 -0.001 0.000 0.292 420 W C 1.968 178.361 176.519 -0.210 0.000 1.213 420 W CA 0.728 57.911 57.345 -0.269 0.000 1.283 420 W CB -1.323 28.008 29.460 -0.215 0.000 1.119 420 W HN 0.310 nan 8.180 nan 0.000 0.542 421 A N 1.787 124.172 122.820 -0.725 0.000 1.930 421 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 421 A C 2.248 179.695 177.584 -0.230 0.000 1.175 421 A CA 1.564 53.314 52.037 -0.478 0.000 0.627 421 A CB -0.694 17.871 19.000 -0.725 0.000 0.815 421 A HN 0.299 nan 8.150 nan 0.000 0.443 422 R N -1.209 119.086 120.500 -0.343 0.000 2.062 422 R HA 0.118 4.457 4.340 -0.001 0.000 0.226 422 R C 2.214 178.388 176.300 -0.209 0.000 1.125 422 R CA 1.551 57.483 56.100 -0.280 0.000 0.966 422 R CB -0.275 29.728 30.300 -0.495 0.000 0.861 422 R HN 0.494 nan 8.270 nan 0.000 0.433 423 M N -0.390 118.952 119.600 -0.430 0.000 2.334 423 M HA 0.008 4.488 4.480 -0.001 0.000 0.266 423 M C 1.808 178.050 176.300 -0.097 0.000 1.082 423 M CA 1.411 56.524 55.300 -0.312 0.000 1.141 423 M CB 0.194 32.520 32.600 -0.457 0.000 1.380 423 M HN 0.114 nan 8.290 nan 0.000 0.440 424 I N -0.688 119.682 120.570 -0.334 0.000 2.962 424 I HA -0.100 4.069 4.170 -0.001 0.000 0.246 424 I C 2.089 178.056 176.117 -0.251 0.000 1.091 424 I CA 0.295 61.140 61.300 -0.759 0.000 1.469 424 I CB -0.242 37.265 38.000 -0.822 0.000 1.324 424 I HN 0.114 nan 8.210 nan 0.000 0.461 425 L N 0.303 121.547 121.223 0.036 0.000 1.989 425 L HA -0.253 4.087 4.340 -0.001 0.000 0.211 425 L C 2.697 179.852 176.870 0.474 0.000 1.071 425 L CA 1.810 56.854 54.840 0.339 0.000 0.749 425 L CB -0.508 41.781 42.059 0.384 0.000 0.890 425 L HN 0.301 nan 8.230 nan 0.000 0.431 426 M N -0.975 118.877 119.600 0.420 0.000 2.086 426 M HA -0.186 4.294 4.480 -0.001 0.000 0.261 426 M C 2.319 179.129 176.300 0.849 0.000 1.067 426 M CA 2.081 57.740 55.300 0.598 0.000 1.116 426 M CB -0.618 32.118 32.600 0.227 0.000 1.348 426 M HN 0.256 nan 8.290 nan 0.000 0.407 427 T N -1.229 113.799 114.554 0.789 0.000 2.652 427 T HA -0.240 4.109 4.350 -0.001 0.000 0.267 427 T C 1.666 176.657 174.700 0.485 0.000 1.039 427 T CA 2.005 64.527 62.100 0.703 0.000 1.153 427 T CB -0.570 68.744 68.868 0.743 0.000 0.863 427 T HN 0.452 nan 8.240 nan 0.000 0.428 428 H N 0.408 119.640 119.070 0.270 0.000 2.293 428 H HA -0.028 4.528 4.556 -0.001 0.000 0.300 428 H C 1.788 176.981 175.328 -0.226 0.000 1.082 428 H CA 1.681 57.746 56.048 0.028 0.000 1.308 428 H CB -0.547 29.083 29.762 -0.221 0.000 1.375 428 H HN 0.372 nan 8.280 nan 0.000 0.495 429 F N -1.232 118.627 119.950 -0.152 0.000 2.367 429 F HA 0.009 4.536 4.527 -0.001 0.000 0.298 429 F C 1.985 177.562 175.800 -0.372 0.000 1.094 429 F CA 0.418 58.069 58.000 -0.581 0.000 1.409 429 F CB -0.459 37.716 39.000 -1.375 0.000 1.064 429 F HN 0.133 nan 8.300 nan 0.000 0.528 430 F N -0.464 119.557 119.950 0.118 0.000 2.186 430 F HA -0.205 4.321 4.527 -0.001 0.000 0.299 430 F C 2.754 178.574 175.800 0.033 0.000 1.090 430 F CA 1.556 59.650 58.000 0.157 0.000 1.307 430 F CB -0.876 38.331 39.000 0.344 0.000 1.019 430 F HN -0.082 nan 8.300 nan 0.000 0.489 431 S N 0.466 116.234 115.700 0.113 0.000 2.356 431 S HA -0.196 4.273 4.470 -0.001 0.000 0.223 431 S C 2.147 176.700 174.600 -0.078 0.000 1.032 431 S CA 1.497 59.694 58.200 -0.004 0.000 1.005 431 S CB -0.516 62.667 63.200 -0.028 0.000 0.867 431 S HN 0.321 nan 8.310 nan 0.000 0.449 432 I N 1.291 121.743 120.570 -0.197 0.000 2.127 432 I HA -0.206 3.964 4.170 -0.001 0.000 0.241 432 I C 2.312 178.377 176.117 -0.086 0.000 1.075 432 I CA 1.309 62.491 61.300 -0.198 0.000 1.334 432 I CB -0.351 37.447 38.000 -0.337 0.000 1.040 432 I HN 0.331 nan 8.210 nan 0.000 0.405 433 L N -0.058 121.120 121.223 -0.076 0.000 2.046 433 L HA -0.246 4.094 4.340 -0.001 0.000 0.208 433 L C 2.547 179.433 176.870 0.026 0.000 1.077 433 L CA 1.348 56.175 54.840 -0.022 0.000 0.747 433 L CB -0.516 41.491 42.059 -0.087 0.000 0.896 433 L HN 0.299 nan 8.230 nan 0.000 0.432 434 L N -0.401 120.849 121.223 0.045 0.000 2.017 434 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 434 L C 2.845 179.729 176.870 0.024 0.000 1.073 434 L CA 1.293 56.166 54.840 0.055 0.000 0.745 434 L CB -0.601 41.493 42.059 0.059 0.000 0.894 434 L HN 0.235 nan 8.230 nan 0.000 0.432 435 A N -1.088 121.733 122.820 0.001 0.000 1.972 435 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 435 A C 2.086 179.672 177.584 0.004 0.000 1.169 435 A CA 1.262 53.295 52.037 -0.007 0.000 0.635 435 A CB -0.222 18.762 19.000 -0.027 0.000 0.810 435 A HN 0.417 nan 8.150 nan 0.000 0.446 436 Q N -0.951 118.856 119.800 0.012 0.000 2.392 436 Q HA 0.088 4.428 4.340 -0.001 0.000 0.203 436 Q C -0.386 175.635 176.000 0.034 0.000 0.917 436 Q CA 0.425 56.245 55.803 0.027 0.000 0.939 436 Q CB 0.047 28.811 28.738 0.042 0.000 1.063 436 Q HN 0.772 nan 8.270 nan 0.000 0.516 437 E N 0.601 120.822 120.200 0.035 0.000 2.297 437 E HA -0.242 4.107 4.350 -0.001 0.000 0.228 437 E C -0.319 176.310 176.600 0.049 0.000 1.213 437 E CA 0.303 56.728 56.400 0.042 0.000 0.712 437 E CB -1.078 28.642 29.700 0.034 0.000 1.202 437 E HN 0.366 nan 8.360 nan 0.000 0.376 438 Q N -0.402 119.431 119.800 0.055 0.000 2.165 438 Q HA 0.231 4.571 4.340 -0.001 0.000 0.245 438 Q C 1.390 177.432 176.000 0.071 0.000 0.841 438 Q CA -0.277 55.564 55.803 0.064 0.000 1.078 438 Q CB 0.487 29.269 28.738 0.074 0.000 1.169 438 Q HN 0.399 nan 8.270 nan 0.000 0.475 439 L N 0.062 121.332 121.223 0.078 0.000 2.079 439 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 439 L C 2.048 178.978 176.870 0.100 0.000 1.081 439 L CA 1.397 56.297 54.840 0.100 0.000 0.752 439 L CB -0.006 42.143 42.059 0.150 0.000 0.896 439 L HN 0.293 nan 8.230 nan 0.000 0.433 440 E N 0.191 120.442 120.200 0.084 0.000 2.435 440 E HA -0.082 4.268 4.350 -0.001 0.000 0.195 440 E C 0.818 177.458 176.600 0.067 0.000 1.029 440 E CA 0.145 56.590 56.400 0.074 0.000 0.865 440 E CB 0.261 29.997 29.700 0.061 0.000 0.833 440 E HN 0.090 nan 8.360 nan 0.000 0.510 441 K N 0.899 121.339 120.400 0.067 0.000 2.349 441 K HA 0.256 4.576 4.320 -0.001 0.000 0.289 441 K C -0.744 175.894 176.600 0.063 0.000 1.064 441 K CA -0.188 56.135 56.287 0.060 0.000 0.947 441 K CB 0.606 33.143 32.500 0.061 0.000 1.007 441 K HN 0.089 nan 8.250 nan 0.000 0.478 442 A N 5.209 128.061 122.820 0.054 0.000 2.540 442 A HA 0.218 4.537 4.320 -0.001 0.000 0.239 442 A C -0.397 177.209 177.584 0.037 0.000 1.061 442 A CA 0.080 52.147 52.037 0.051 0.000 0.758 442 A CB 0.082 19.119 19.000 0.060 0.000 0.991 442 A HN 0.770 nan 8.150 nan 0.000 0.502 443 L N 1.902 123.131 121.223 0.011 0.000 2.370 443 L HA 0.380 4.720 4.340 -0.001 0.000 0.266 443 L C -0.746 176.091 176.870 -0.055 0.000 1.002 443 L CA -1.067 53.756 54.840 -0.028 0.000 0.818 443 L CB 2.023 44.043 42.059 -0.065 0.000 1.325 443 L HN 0.581 nan 8.230 nan 0.000 0.418 444 D N 1.314 121.671 120.400 -0.073 0.000 2.304 444 D HA 0.426 5.065 4.640 -0.001 0.000 0.250 444 D C -0.415 175.810 176.300 -0.125 0.000 1.107 444 D CA 0.052 54.010 54.000 -0.071 0.000 0.885 444 D CB 1.454 42.165 40.800 -0.148 0.000 1.192 444 D HN 0.611 nan 8.370 nan 0.000 0.436 445 C N 0.597 119.846 119.300 -0.085 0.000 3.291 445 C HA 0.619 5.079 4.460 -0.001 0.000 0.316 445 C C -1.189 173.773 174.990 -0.047 0.000 1.391 445 C CA -0.874 58.072 59.018 -0.120 0.000 1.394 445 C CB 1.703 29.318 27.740 -0.210 0.000 1.744 445 C HN 0.493 nan 8.230 nan 0.000 0.461 446 Q N 0.828 120.595 119.800 -0.055 0.000 2.333 446 Q HA 0.729 5.069 4.340 -0.001 0.000 0.267 446 Q C -1.407 174.573 176.000 -0.034 0.000 1.012 446 Q CA -0.281 55.515 55.803 -0.013 0.000 0.824 446 Q CB 2.373 31.110 28.738 -0.001 0.000 1.290 446 Q HN 0.746 nan 8.270 nan 0.000 0.449 447 I N 2.498 123.056 120.570 -0.021 0.000 2.478 447 I HA 0.188 4.358 4.170 -0.001 0.000 0.287 447 I C -1.027 175.129 176.117 0.065 0.000 1.042 447 I CA -0.705 60.526 61.300 -0.115 0.000 1.067 447 I CB 1.241 38.957 38.000 -0.473 0.000 1.233 447 I HN 0.561 nan 8.210 nan 0.000 0.431 448 Y N 5.208 125.563 120.300 0.092 0.000 3.305 448 Y HA -0.239 4.311 4.550 -0.001 0.000 0.212 448 Y C 1.501 177.360 175.900 -0.068 0.000 1.248 448 Y CA 1.030 59.145 58.100 0.024 0.000 1.359 448 Y CB -1.979 36.502 38.460 0.036 0.000 1.407 448 Y HN 0.997 nan 8.280 nan 0.000 0.572 449 G N -2.018 106.860 108.800 0.131 0.000 2.245 449 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.264 449 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.264 449 G C 0.498 175.416 174.900 0.030 0.000 0.985 449 G CA 0.369 45.506 45.100 0.062 0.000 0.625 449 G HN 1.604 nan 8.290 nan 0.000 0.536 450 A N -0.748 122.086 122.820 0.022 0.000 2.304 450 A HA 0.669 4.989 4.320 -0.001 0.000 0.301 450 A C 0.594 178.008 177.584 -0.282 0.000 1.132 450 A CA 0.377 52.283 52.037 -0.219 0.000 0.819 450 A CB 1.113 19.881 19.000 -0.387 0.000 1.094 450 A HN 1.485 nan 8.150 nan 0.000 0.492 451 C N 1.876 120.936 119.300 -0.399 0.000 2.350 451 C HA 0.797 5.257 4.460 -0.001 0.000 0.348 451 C C -1.085 173.563 174.990 -0.570 0.000 1.260 451 C CA -0.438 58.448 59.018 -0.220 0.000 1.966 451 C CB -0.973 26.828 27.740 0.102 0.000 2.380 451 C HN 0.660 nan 8.230 nan 0.000 0.535 452 Y N 2.617 122.775 120.300 -0.237 0.000 2.477 452 Y HA 0.440 4.989 4.550 -0.001 0.000 0.347 452 Y C 0.268 176.080 175.900 -0.146 0.000 0.981 452 Y CA -0.392 57.517 58.100 -0.318 0.000 1.033 452 Y CB 1.886 40.118 38.460 -0.380 0.000 1.245 452 Y HN 0.591 nan 8.280 nan 0.000 0.455 453 S N 3.893 119.612 115.700 0.031 0.000 2.422 453 S HA 0.727 5.196 4.470 -0.001 0.000 0.308 453 S C -0.954 173.705 174.600 0.098 0.000 1.097 453 S CA -0.261 58.000 58.200 0.102 0.000 1.099 453 S CB -0.292 63.013 63.200 0.176 0.000 0.976 453 S HN 0.537 nan 8.310 nan 0.000 0.471 454 I N 3.883 124.494 120.570 0.068 0.000 2.582 454 I HA 0.339 4.509 4.170 -0.001 0.000 0.292 454 I C -0.372 175.775 176.117 0.050 0.000 1.066 454 I CA -0.572 60.773 61.300 0.075 0.000 1.053 454 I CB 2.277 40.323 38.000 0.077 0.000 1.241 454 I HN 0.560 nan 8.210 nan 0.000 0.421 455 E N 7.042 127.284 120.200 0.069 0.000 2.194 455 E HA 0.178 4.527 4.350 -0.001 0.000 0.284 455 E C -1.819 174.841 176.600 0.100 0.000 1.035 455 E CA -1.578 54.868 56.400 0.076 0.000 0.836 455 E CB 1.073 30.819 29.700 0.076 0.000 1.070 455 E HN 0.308 nan 8.360 nan 0.000 0.401 456 P HA -0.196 nan 4.420 nan 0.000 0.218 456 P C 1.040 178.516 177.300 0.294 0.000 1.146 456 P CA 1.110 64.307 63.100 0.162 0.000 0.820 456 P CB 0.211 31.942 31.700 0.050 0.000 0.778 457 L N -0.820 120.540 121.223 0.229 0.000 2.275 457 L HA -0.132 4.207 4.340 -0.001 0.000 0.215 457 L C 1.491 178.458 176.870 0.163 0.000 1.119 457 L CA 1.225 56.201 54.840 0.228 0.000 0.790 457 L CB -0.661 41.494 42.059 0.159 0.000 0.919 457 L HN -0.008 nan 8.230 nan 0.000 0.443 458 D N -0.280 120.198 120.400 0.130 0.000 2.349 458 D HA -0.012 4.627 4.640 -0.001 0.000 0.224 458 D C 2.272 178.626 176.300 0.090 0.000 1.029 458 D CA 0.320 54.366 54.000 0.077 0.000 0.879 458 D CB 0.313 41.139 40.800 0.043 0.000 0.906 458 D HN 0.303 nan 8.370 nan 0.000 0.528 459 L N 1.071 122.398 121.223 0.173 0.000 2.013 459 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 459 L C -0.449 176.523 176.870 0.171 0.000 1.073 459 L CA 1.686 56.647 54.840 0.201 0.000 0.753 459 L CB -1.516 40.746 42.059 0.338 0.000 0.890 459 L HN 0.059 nan 8.230 nan 0.000 0.432 460 P HA -0.192 nan 4.420 nan 0.000 0.215 460 P C 1.369 178.721 177.300 0.087 0.000 1.153 460 P CA 1.265 64.422 63.100 0.095 0.000 0.853 460 P CB 0.032 31.642 31.700 -0.149 0.000 0.788 461 Q N -0.737 119.056 119.800 -0.012 0.000 2.084 461 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 461 Q C 2.192 178.164 176.000 -0.046 0.000 0.978 461 Q CA 1.345 57.119 55.803 -0.049 0.000 0.844 461 Q CB -1.014 27.681 28.738 -0.072 0.000 0.898 461 Q HN 0.264 nan 8.270 nan 0.000 0.426 462 I N -0.177 120.366 120.570 -0.044 0.000 2.226 462 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 462 I C 1.956 178.052 176.117 -0.034 0.000 1.100 462 I CA 1.063 62.293 61.300 -0.117 0.000 1.374 462 I CB -0.207 37.730 38.000 -0.105 0.000 1.057 462 I HN 0.184 nan 8.210 nan 0.000 0.413 463 I N 0.486 121.110 120.570 0.089 0.000 2.202 463 I HA -0.288 3.882 4.170 -0.001 0.000 0.242 463 I C 2.637 178.773 176.117 0.031 0.000 1.091 463 I CA 1.422 62.801 61.300 0.131 0.000 1.368 463 I CB -0.376 37.701 38.000 0.129 0.000 1.058 463 I HN 0.277 nan 8.210 nan 0.000 0.410 464 E N 1.110 121.352 120.200 0.071 0.000 2.070 464 E HA -0.269 4.081 4.350 -0.001 0.000 0.197 464 E C 2.408 178.997 176.600 -0.018 0.000 1.004 464 E CA 1.272 57.700 56.400 0.046 0.000 0.805 464 E CB 0.072 29.846 29.700 0.123 0.000 0.744 464 E HN 0.246 nan 8.360 nan 0.000 0.451 465 R N 0.151 120.619 120.500 -0.053 0.000 2.081 465 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 465 R C 2.492 178.728 176.300 -0.106 0.000 1.131 465 R CA 1.030 57.075 56.100 -0.092 0.000 0.960 465 R CB -0.521 29.686 30.300 -0.154 0.000 0.856 465 R HN 0.378 nan 8.270 nan 0.000 0.436 466 L N -0.927 120.206 121.223 -0.149 0.000 2.127 466 L HA -0.065 4.275 4.340 -0.001 0.000 0.203 466 L C 1.999 178.644 176.870 -0.374 0.000 1.080 466 L CA 1.069 55.750 54.840 -0.265 0.000 0.768 466 L CB -0.405 41.413 42.059 -0.402 0.000 0.924 466 L HN 0.254 nan 8.230 nan 0.000 0.444 467 H N -0.737 118.281 119.070 -0.086 0.000 2.855 467 H HA 0.296 4.852 4.556 -0.001 0.000 0.259 467 H C 0.954 176.213 175.328 -0.115 0.000 0.972 467 H CA 0.812 56.793 56.048 -0.112 0.000 1.213 467 H CB 1.071 30.730 29.762 -0.171 0.000 1.451 467 H HN 0.298 nan 8.280 nan 0.000 0.484 468 G N 0.833 109.626 108.800 -0.011 0.000 2.707 468 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.686 468 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.686 468 G C 0.597 175.457 174.900 -0.067 0.000 1.315 468 G CA -0.164 44.924 45.100 -0.020 0.000 0.832 468 G HN 0.225 nan 8.290 nan 0.000 0.573 469 L N 1.009 122.249 121.223 0.029 0.000 2.265 469 L HA -0.094 4.245 4.340 -0.001 0.000 0.215 469 L C 3.189 180.097 176.870 0.062 0.000 1.117 469 L CA 2.184 57.111 54.840 0.145 0.000 0.782 469 L CB -0.396 41.801 42.059 0.231 0.000 0.914 469 L HN 0.951 nan 8.230 nan 0.000 0.441 470 S N -0.164 115.529 115.700 -0.011 0.000 2.440 470 S HA -0.181 4.289 4.470 -0.001 0.000 0.238 470 S C 2.091 176.615 174.600 -0.127 0.000 1.010 470 S CA 0.819 58.999 58.200 -0.034 0.000 0.972 470 S CB -0.342 62.833 63.200 -0.042 0.000 0.774 470 S HN 0.377 nan 8.310 nan 0.000 0.501 471 A N 0.784 123.433 122.820 -0.285 0.000 2.019 471 A HA 0.131 4.450 4.320 -0.001 0.000 0.219 471 A C 1.541 178.902 177.584 -0.372 0.000 1.164 471 A CA 1.082 52.859 52.037 -0.433 0.000 0.644 471 A CB -0.860 17.768 19.000 -0.620 0.000 0.805 471 A HN 0.604 nan 8.150 nan 0.000 0.449 472 F N -0.228 119.742 119.950 0.032 0.000 2.797 472 F HA 0.143 4.670 4.527 -0.001 0.000 0.302 472 F C 1.730 177.578 175.800 0.080 0.000 1.130 472 F CA 0.682 58.727 58.000 0.074 0.000 1.387 472 F CB 0.086 39.164 39.000 0.130 0.000 1.107 472 F HN 0.132 nan 8.300 nan 0.000 0.577 473 S N -1.154 114.646 115.700 0.166 0.000 2.649 473 S HA 0.273 4.742 4.470 -0.001 0.000 0.246 473 S C 0.497 175.155 174.600 0.098 0.000 1.057 473 S CA -0.336 57.950 58.200 0.144 0.000 1.051 473 S CB 0.332 63.606 63.200 0.125 0.000 1.018 473 S HN -0.001 nan 8.310 nan 0.000 0.569 474 L N 4.842 126.043 121.223 -0.037 0.000 2.543 474 L HA 0.136 4.475 4.340 -0.001 0.000 0.285 474 L C 0.771 177.521 176.870 -0.199 0.000 1.236 474 L CA 0.611 55.314 54.840 -0.228 0.000 0.871 474 L CB -0.042 41.760 42.059 -0.430 0.000 1.121 474 L HN 0.560 nan 8.230 nan 0.000 0.501 475 H N -0.226 118.610 119.070 -0.390 0.000 2.928 475 H HA 0.203 4.758 4.556 -0.001 0.000 0.285 475 H C -0.314 174.813 175.328 -0.334 0.000 1.438 475 H CA -0.689 55.174 56.048 -0.308 0.000 1.176 475 H CB 1.315 31.029 29.762 -0.079 0.000 1.864 475 H HN 0.445 nan 8.280 nan 0.000 0.567 476 S N 0.185 115.863 115.700 -0.037 0.000 3.436 476 S HA -0.218 4.251 4.470 -0.001 0.000 0.393 476 S C -0.541 174.038 174.600 -0.035 0.000 0.914 476 S CA 0.516 58.732 58.200 0.027 0.000 1.317 476 S CB -2.350 60.864 63.200 0.022 0.000 0.920 476 S HN 0.435 nan 8.310 nan 0.000 0.564 477 Y N 1.542 121.876 120.300 0.058 0.000 2.296 477 Y HA 0.329 4.879 4.550 -0.001 0.000 0.343 477 Y C 1.386 177.336 175.900 0.083 0.000 1.292 477 Y CA 0.239 58.373 58.100 0.056 0.000 1.490 477 Y CB 0.388 38.877 38.460 0.048 0.000 1.359 477 Y HN 0.542 nan 8.280 nan 0.000 0.599 478 S N 2.053 117.913 115.700 0.267 0.000 2.592 478 S HA 0.174 4.643 4.470 -0.001 0.000 0.271 478 S C -1.836 172.848 174.600 0.140 0.000 1.326 478 S CA -1.172 57.125 58.200 0.162 0.000 1.024 478 S CB 1.248 64.522 63.200 0.123 0.000 0.921 478 S HN 0.498 nan 8.310 nan 0.000 0.527 479 P HA 0.012 nan 4.420 nan 0.000 0.220 479 P C 1.535 178.875 177.300 0.066 0.000 1.148 479 P CA 1.526 64.674 63.100 0.080 0.000 0.803 479 P CB -0.547 31.191 31.700 0.063 0.000 0.782 480 G N 0.334 109.171 108.800 0.062 0.000 2.394 480 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.215 480 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.215 480 G C 1.692 176.619 174.900 0.045 0.000 1.165 480 G CA 0.703 45.830 45.100 0.043 0.000 0.784 480 G HN 0.265 nan 8.290 nan 0.000 0.535 481 E N 0.817 121.061 120.200 0.075 0.000 2.028 481 E HA -0.049 4.301 4.350 -0.001 0.000 0.191 481 E C 2.455 179.090 176.600 0.058 0.000 0.988 481 E CA 0.797 57.248 56.400 0.085 0.000 0.799 481 E CB -0.449 29.352 29.700 0.169 0.000 0.755 481 E HN 0.456 nan 8.360 nan 0.000 0.447 482 I N 0.996 121.610 120.570 0.074 0.000 2.151 482 I HA -0.359 3.811 4.170 -0.001 0.000 0.243 482 I C 1.992 178.129 176.117 0.033 0.000 1.080 482 I CA 1.443 62.772 61.300 0.048 0.000 1.339 482 I CB -0.551 37.496 38.000 0.080 0.000 1.039 482 I HN 0.173 nan 8.210 nan 0.000 0.409 483 N N 0.583 119.305 118.700 0.036 0.000 2.104 483 N HA -0.208 4.532 4.740 -0.001 0.000 0.190 483 N C 1.891 177.405 175.510 0.007 0.000 1.024 483 N CA 1.241 54.306 53.050 0.024 0.000 0.853 483 N CB -0.437 38.066 38.487 0.026 0.000 1.008 483 N HN 0.320 nan 8.380 nan 0.000 0.424 484 R N 0.593 121.092 120.500 -0.003 0.000 2.092 484 R HA -0.028 4.312 4.340 -0.001 0.000 0.231 484 R C 1.778 178.044 176.300 -0.056 0.000 1.119 484 R CA 0.873 56.954 56.100 -0.032 0.000 0.970 484 R CB -0.086 30.187 30.300 -0.045 0.000 0.864 484 R HN 0.000 nan 8.270 nan 0.000 0.440 485 V N 0.904 120.790 119.914 -0.046 0.000 2.270 485 V HA -0.213 3.907 4.120 -0.001 0.000 0.245 485 V C 2.484 178.561 176.094 -0.027 0.000 1.043 485 V CA 1.952 64.217 62.300 -0.057 0.000 1.014 485 V CB -0.856 30.957 31.823 -0.016 0.000 0.645 485 V HN 0.531 nan 8.190 nan 0.000 0.447 486 A N -0.409 122.412 122.820 0.001 0.000 1.908 486 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 486 A C 2.578 180.171 177.584 0.015 0.000 1.181 486 A CA 2.473 54.522 52.037 0.021 0.000 0.627 486 A CB -0.856 18.163 19.000 0.031 0.000 0.818 486 A HN 0.513 nan 8.150 nan 0.000 0.445 487 S N -1.323 114.379 115.700 0.004 0.000 2.368 487 S HA -0.198 4.272 4.470 -0.001 0.000 0.224 487 S C 2.091 176.691 174.600 -0.000 0.000 1.029 487 S CA 1.552 59.755 58.200 0.005 0.000 0.988 487 S CB -0.981 62.218 63.200 -0.001 0.000 0.838 487 S HN 0.790 nan 8.310 nan 0.000 0.462 488 C N 1.539 120.823 119.300 -0.027 0.000 2.429 488 C HA 0.044 4.503 4.460 -0.001 0.000 0.277 488 C C 2.517 177.498 174.990 -0.014 0.000 1.262 488 C CA 0.923 59.917 59.018 -0.040 0.000 1.733 488 C CB -1.755 25.922 27.740 -0.106 0.000 2.010 488 C HN 0.689 nan 8.230 nan 0.000 0.483 489 L N 0.354 121.573 121.223 -0.006 0.000 2.012 489 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 489 L C 3.067 179.948 176.870 0.019 0.000 1.073 489 L CA 1.884 56.736 54.840 0.020 0.000 0.748 489 L CB -0.927 41.166 42.059 0.057 0.000 0.891 489 L HN 0.357 nan 8.230 nan 0.000 0.431 490 R N 0.311 120.831 120.500 0.034 0.000 2.081 490 R HA -0.195 4.144 4.340 -0.001 0.000 0.235 490 R C 2.381 178.744 176.300 0.105 0.000 1.131 490 R CA 1.475 57.608 56.100 0.055 0.000 0.960 490 R CB -0.248 30.085 30.300 0.054 0.000 0.856 490 R HN 0.301 nan 8.270 nan 0.000 0.436 491 K N 0.947 121.402 120.400 0.092 0.000 2.057 491 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 491 K C 1.748 178.499 176.600 0.251 0.000 1.049 491 K CA 1.284 57.654 56.287 0.139 0.000 0.931 491 K CB 0.028 32.573 32.500 0.074 0.000 0.714 491 K HN 0.145 nan 8.250 nan 0.000 0.440 492 L N -0.473 120.814 121.223 0.106 0.000 2.567 492 L HA 0.176 4.515 4.340 -0.001 0.000 0.225 492 L C 0.744 177.438 176.870 -0.293 0.000 1.119 492 L CA 0.351 55.222 54.840 0.051 0.000 0.871 492 L CB 0.400 42.474 42.059 0.026 0.000 1.036 492 L HN 0.569 nan 8.230 nan 0.000 0.459 493 G N 1.058 109.549 108.800 -0.515 0.000 2.256 493 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.272 493 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.272 493 G C -0.108 174.623 174.900 -0.282 0.000 1.076 493 G CA -0.018 44.623 45.100 -0.764 0.000 0.882 493 G HN 0.079 nan 8.290 nan 0.000 0.497 494 V N 0.857 120.711 119.914 -0.098 0.000 2.465 494 V HA 0.419 4.539 4.120 -0.001 0.000 0.279 494 V C -1.124 175.037 176.094 0.111 0.000 1.045 494 V CA -1.576 60.762 62.300 0.064 0.000 0.938 494 V CB 1.502 33.397 31.823 0.120 0.000 0.986 494 V HN 0.209 nan 8.190 nan 0.000 0.467 495 P HA 0.105 nan 4.420 nan 0.000 0.267 495 P C -2.587 174.808 177.300 0.159 0.000 1.201 495 P CA -0.586 62.521 63.100 0.012 0.000 0.775 495 P CB -0.221 31.305 31.700 -0.289 0.000 0.854 496 P HA 0.128 nan 4.420 nan 0.000 0.274 496 P C 0.885 178.334 177.300 0.248 0.000 1.231 496 P CA -0.126 63.060 63.100 0.143 0.000 0.790 496 P CB 0.411 32.152 31.700 0.070 0.000 0.951 497 L N 1.131 122.532 121.223 0.296 0.000 2.263 497 L HA -0.238 4.101 4.340 -0.001 0.000 0.216 497 L C 2.472 179.530 176.870 0.314 0.000 1.111 497 L CA 1.587 56.648 54.840 0.368 0.000 0.773 497 L CB -0.729 41.449 42.059 0.198 0.000 0.906 497 L HN 0.475 nan 8.230 nan 0.000 0.439 498 R N -0.695 119.922 120.500 0.195 0.000 2.115 498 R HA -0.083 4.256 4.340 -0.001 0.000 0.230 498 R C 1.950 178.326 176.300 0.127 0.000 1.111 498 R CA 1.194 57.386 56.100 0.154 0.000 0.976 498 R CB -0.893 29.461 30.300 0.089 0.000 0.870 498 R HN 0.142 nan 8.270 nan 0.000 0.445 499 V N 0.391 120.325 119.914 0.034 0.000 2.453 499 V HA -0.146 3.973 4.120 -0.001 0.000 0.247 499 V C 1.854 177.908 176.094 -0.068 0.000 1.048 499 V CA 1.532 63.767 62.300 -0.109 0.000 1.049 499 V CB -0.619 31.009 31.823 -0.324 0.000 0.672 499 V HN 0.365 nan 8.190 nan 0.000 0.457 500 W N 0.125 121.535 121.300 0.183 0.000 2.388 500 W HA -0.085 4.574 4.660 -0.000 0.000 0.294 500 W C 2.725 179.462 176.519 0.363 0.000 1.212 500 W CA 1.279 58.775 57.345 0.251 0.000 1.271 500 W CB -0.316 29.287 29.460 0.239 0.000 1.126 500 W HN 0.024 nan 8.180 nan 0.000 0.535 501 R N -0.298 120.557 120.500 0.592 0.000 2.091 501 R HA -0.247 4.092 4.340 -0.001 0.000 0.238 501 R C 2.051 178.493 176.300 0.238 0.000 1.136 501 R CA 2.194 58.603 56.100 0.515 0.000 0.959 501 R CB -0.662 29.905 30.300 0.446 0.000 0.856 501 R HN 0.262 nan 8.270 nan 0.000 0.437 502 H N 0.115 119.252 119.070 0.112 0.000 2.293 502 H HA -0.048 4.508 4.556 -0.001 0.000 0.300 502 H C 2.086 177.404 175.328 -0.017 0.000 1.082 502 H CA 2.214 58.271 56.048 0.015 0.000 1.308 502 H CB 0.110 29.860 29.762 -0.019 0.000 1.375 502 H HN 0.109 nan 8.280 nan 0.000 0.495 503 R N -0.187 120.350 120.500 0.061 0.000 2.105 503 R HA -0.101 4.238 4.340 -0.001 0.000 0.239 503 R C 2.526 178.780 176.300 -0.076 0.000 1.135 503 R CA 1.000 57.093 56.100 -0.010 0.000 0.967 503 R CB -0.304 30.028 30.300 0.053 0.000 0.861 503 R HN 0.393 nan 8.270 nan 0.000 0.442 504 A N 1.332 124.145 122.820 -0.013 0.000 1.933 504 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 504 A C 2.042 179.353 177.584 -0.455 0.000 1.175 504 A CA 1.130 53.018 52.037 -0.248 0.000 0.628 504 A CB -0.320 18.610 19.000 -0.116 0.000 0.814 504 A HN 0.225 nan 8.150 nan 0.000 0.444 505 R N -0.492 119.805 120.500 -0.338 0.000 2.096 505 R HA -0.105 4.235 4.340 -0.001 0.000 0.235 505 R C 2.610 178.727 176.300 -0.306 0.000 1.127 505 R CA 1.456 57.362 56.100 -0.323 0.000 0.968 505 R CB -0.442 29.697 30.300 -0.269 0.000 0.861 505 R HN 0.590 nan 8.270 nan 0.000 0.440 506 S N 0.529 116.047 115.700 -0.305 0.000 2.345 506 S HA -0.097 4.373 4.470 -0.001 0.000 0.220 506 S C 2.114 176.569 174.600 -0.242 0.000 1.031 506 S CA 1.246 59.299 58.200 -0.245 0.000 0.996 506 S CB -0.181 62.891 63.200 -0.213 0.000 0.882 506 S HN 0.103 nan 8.310 nan 0.000 0.445 507 V N 2.717 122.447 119.914 -0.306 0.000 2.332 507 V HA -0.184 3.935 4.120 -0.001 0.000 0.248 507 V C 2.791 178.631 176.094 -0.424 0.000 1.055 507 V CA 2.349 64.434 62.300 -0.359 0.000 1.038 507 V CB -0.919 30.596 31.823 -0.513 0.000 0.651 507 V HN 0.518 nan 8.190 nan 0.000 0.450 508 R N 0.171 120.344 120.500 -0.546 0.000 2.080 508 R HA -0.197 4.142 4.340 -0.001 0.000 0.236 508 R C 2.349 178.530 176.300 -0.198 0.000 1.137 508 R CA 1.875 57.756 56.100 -0.365 0.000 0.943 508 R CB -0.526 29.580 30.300 -0.323 0.000 0.846 508 R HN 0.477 nan 8.270 nan 0.000 0.431 509 A N 1.113 123.820 122.820 -0.188 0.000 1.883 509 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 509 A C 2.223 179.751 177.584 -0.093 0.000 1.186 509 A CA 1.681 53.642 52.037 -0.127 0.000 0.624 509 A CB -0.495 18.430 19.000 -0.124 0.000 0.822 509 A HN 0.401 nan 8.150 nan 0.000 0.444 510 R N -0.598 119.843 120.500 -0.098 0.000 2.081 510 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 510 R C 2.089 178.372 176.300 -0.028 0.000 1.131 510 R CA 1.523 57.588 56.100 -0.058 0.000 0.960 510 R CB -0.537 29.730 30.300 -0.055 0.000 0.856 510 R HN 0.515 nan 8.270 nan 0.000 0.436 511 L N 0.408 121.612 121.223 -0.032 0.000 2.046 511 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 511 L C 2.313 179.188 176.870 0.007 0.000 1.077 511 L CA 1.211 56.061 54.840 0.016 0.000 0.747 511 L CB -0.397 41.680 42.059 0.030 0.000 0.896 511 L HN 0.193 nan 8.230 nan 0.000 0.432 512 L N -1.202 120.008 121.223 -0.022 0.000 2.083 512 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 512 L C 2.710 179.570 176.870 -0.015 0.000 1.083 512 L CA 0.892 55.719 54.840 -0.022 0.000 0.752 512 L CB -0.487 41.545 42.059 -0.045 0.000 0.899 512 L HN 0.163 nan 8.230 nan 0.000 0.433 513 S N -0.686 115.002 115.700 -0.020 0.000 2.383 513 S HA -0.281 4.189 4.470 -0.001 0.000 0.229 513 S C 1.947 176.547 174.600 -0.000 0.000 1.030 513 S CA 1.312 59.504 58.200 -0.014 0.000 1.002 513 S CB -0.171 63.017 63.200 -0.019 0.000 0.829 513 S HN 0.371 nan 8.310 nan 0.000 0.467 514 Q N 0.498 120.304 119.800 0.011 0.000 2.291 514 Q HA 0.136 4.475 4.340 -0.001 0.000 0.206 514 Q C 0.993 177.008 176.000 0.024 0.000 0.976 514 Q CA 0.723 56.541 55.803 0.024 0.000 0.875 514 Q CB -0.488 28.276 28.738 0.043 0.000 0.927 514 Q HN 0.551 nan 8.270 nan 0.000 0.450 515 G N -1.994 106.818 108.800 0.020 0.000 2.804 515 G HA2 0.011 3.971 3.960 -0.001 0.000 0.230 515 G HA3 0.011 3.971 3.960 -0.001 0.000 0.230 515 G C 0.535 175.453 174.900 0.031 0.000 1.386 515 G CA -0.272 44.840 45.100 0.020 0.000 0.875 515 G HN 1.102 nan 8.290 nan 0.000 0.557 516 G N -0.802 108.015 108.800 0.028 0.000 2.566 516 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.280 516 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.280 516 G C 1.183 176.108 174.900 0.042 0.000 1.225 516 G CA 1.305 46.425 45.100 0.033 0.000 0.966 516 G HN 1.429 nan 8.290 nan 0.000 0.560 517 R N 0.272 120.801 120.500 0.048 0.000 2.096 517 R HA 0.057 4.396 4.340 -0.001 0.000 0.235 517 R C 3.247 179.597 176.300 0.083 0.000 1.127 517 R CA 1.911 58.046 56.100 0.057 0.000 0.968 517 R CB -0.637 29.702 30.300 0.064 0.000 0.861 517 R HN 0.717 nan 8.270 nan 0.000 0.440 518 A N 1.381 124.259 122.820 0.096 0.000 1.908 518 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 518 A C 2.379 180.013 177.584 0.082 0.000 1.181 518 A CA 1.888 53.997 52.037 0.119 0.000 0.627 518 A CB -0.627 18.441 19.000 0.114 0.000 0.818 518 A HN 0.415 nan 8.150 nan 0.000 0.445 519 A N -1.039 121.814 122.820 0.056 0.000 1.902 519 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 519 A C 2.301 179.912 177.584 0.046 0.000 1.181 519 A CA 2.293 54.352 52.037 0.036 0.000 0.623 519 A CB -1.360 17.654 19.000 0.025 0.000 0.818 519 A HN 0.448 nan 8.150 nan 0.000 0.443 520 T N -0.576 114.018 114.554 0.068 0.000 2.720 520 T HA -0.223 4.126 4.350 -0.001 0.000 0.268 520 T C 1.891 176.651 174.700 0.100 0.000 1.037 520 T CA 1.580 63.751 62.100 0.117 0.000 1.144 520 T CB -0.799 68.097 68.868 0.045 0.000 0.864 520 T HN 0.575 nan 8.240 nan 0.000 0.444 521 C N 1.334 120.658 119.300 0.040 0.000 2.413 521 C HA 0.009 4.469 4.460 -0.001 0.000 0.276 521 C C 3.142 178.116 174.990 -0.028 0.000 1.236 521 C CA 0.583 59.576 59.018 -0.041 0.000 1.735 521 C CB -1.562 26.151 27.740 -0.044 0.000 2.031 521 C HN 0.737 nan 8.230 nan 0.000 0.474 522 G N 0.029 108.852 108.800 0.038 0.000 2.446 522 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.217 522 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.217 522 G C 1.628 176.540 174.900 0.019 0.000 1.168 522 G CA 1.234 46.382 45.100 0.080 0.000 0.771 522 G HN 0.644 nan 8.290 nan 0.000 0.551 523 K N -0.804 119.566 120.400 -0.050 0.000 2.002 523 K HA -0.100 4.220 4.320 -0.001 0.000 0.209 523 K C 2.260 178.650 176.600 -0.350 0.000 1.048 523 K CA 1.367 57.536 56.287 -0.196 0.000 0.930 523 K CB -0.291 32.079 32.500 -0.216 0.000 0.714 523 K HN 0.442 nan 8.250 nan 0.000 0.438 524 Y N 0.684 120.784 120.300 -0.334 0.000 2.201 524 Y HA -0.018 4.532 4.550 -0.001 0.000 0.292 524 Y C 2.101 177.670 175.900 -0.551 0.000 1.119 524 Y CA 0.809 58.508 58.100 -0.668 0.000 1.127 524 Y CB -0.091 37.695 38.460 -1.124 0.000 1.019 524 Y HN -0.054 nan 8.280 nan 0.000 0.514 525 L N -1.547 119.506 121.223 -0.285 0.000 2.131 525 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 525 L C 0.714 177.297 176.870 -0.478 0.000 1.092 525 L CA 1.444 56.069 54.840 -0.359 0.000 0.759 525 L CB -0.384 41.237 42.059 -0.730 0.000 0.903 525 L HN 0.216 nan 8.230 nan 0.000 0.435 526 F N -1.635 118.241 119.950 -0.123 0.000 2.764 526 F HA 0.179 4.705 4.527 -0.001 0.000 0.310 526 F C 1.551 177.044 175.800 -0.512 0.000 1.124 526 F CA -0.438 57.302 58.000 -0.433 0.000 1.252 526 F CB -0.478 38.268 39.000 -0.423 0.000 1.010 526 F HN -0.086 nan 8.300 nan 0.000 0.518 527 N N 1.069 119.685 118.700 -0.139 0.000 2.364 527 N HA -0.194 4.545 4.740 -0.001 0.000 0.183 527 N C 1.945 177.431 175.510 -0.039 0.000 1.022 527 N CA 1.562 54.548 53.050 -0.107 0.000 0.883 527 N CB -0.174 38.264 38.487 -0.083 0.000 0.965 527 N HN 0.542 nan 8.380 nan 0.000 0.438 528 W N -0.750 120.597 121.300 0.077 0.000 2.525 528 W HA 0.192 4.851 4.660 -0.001 0.000 0.259 528 W C 1.167 177.747 176.519 0.102 0.000 1.253 528 W CA 0.563 57.963 57.345 0.091 0.000 1.262 528 W CB -0.715 28.812 29.460 0.113 0.000 1.122 528 W HN 0.051 nan 8.180 nan 0.000 0.607 529 A N 1.578 124.047 122.820 -0.586 0.000 2.169 529 A HA 0.197 4.517 4.320 -0.001 0.000 0.212 529 A C 1.067 178.529 177.584 -0.203 0.000 1.153 529 A CA 0.925 52.619 52.037 -0.571 0.000 0.756 529 A CB -0.817 17.607 19.000 -0.959 0.000 0.813 529 A HN 0.121 nan 8.150 nan 0.000 0.471 530 V N -3.186 116.642 119.914 -0.142 0.000 2.716 530 V HA 0.450 4.570 4.120 -0.001 0.000 0.304 530 V C 1.004 177.082 176.094 -0.027 0.000 1.053 530 V CA -0.525 61.724 62.300 -0.085 0.000 0.984 530 V CB 1.531 33.295 31.823 -0.099 0.000 1.021 530 V HN 0.294 nan 8.190 nan 0.000 0.467 531 K N 1.365 121.751 120.400 -0.022 0.000 2.007 531 K HA 0.043 4.363 4.320 -0.001 0.000 0.206 531 K C 0.744 177.333 176.600 -0.018 0.000 1.047 531 K CA 1.552 57.835 56.287 -0.007 0.000 0.937 531 K CB -0.056 32.440 32.500 -0.007 0.000 0.718 531 K HN 1.016 nan 8.250 nan 0.000 0.438 532 T N 0.764 115.301 114.554 -0.029 0.000 2.779 532 T HA 0.391 4.741 4.350 -0.001 0.000 0.280 532 T C -0.817 173.856 174.700 -0.045 0.000 0.987 532 T CA -1.087 60.993 62.100 -0.034 0.000 0.966 532 T CB 1.802 70.651 68.868 -0.032 0.000 0.933 532 T HN -0.045 nan 8.240 nan 0.000 0.442 533 K N 2.659 123.032 120.400 -0.045 0.000 2.156 533 K HA 0.530 4.850 4.320 -0.001 0.000 0.250 533 K C -0.525 176.034 176.600 -0.069 0.000 0.955 533 K CA -1.017 55.235 56.287 -0.058 0.000 0.855 533 K CB 1.679 34.154 32.500 -0.041 0.000 1.101 533 K HN 0.344 nan 8.250 nan 0.000 0.434 534 L N 1.637 122.800 121.223 -0.100 0.000 2.467 534 L HA 0.102 4.441 4.340 -0.001 0.000 0.270 534 L C 0.421 177.225 176.870 -0.110 0.000 1.205 534 L CA 0.049 54.821 54.840 -0.114 0.000 0.828 534 L CB -0.027 41.933 42.059 -0.166 0.000 1.101 534 L HN 0.446 nan 8.230 nan 0.000 0.479 535 K N 1.880 122.229 120.400 -0.085 0.000 2.339 535 K HA 0.345 4.664 4.320 -0.001 0.000 0.286 535 K C -1.170 175.379 176.600 -0.086 0.000 1.050 535 K CA -0.154 56.097 56.287 -0.059 0.000 0.956 535 K CB 0.304 32.788 32.500 -0.026 0.000 0.990 535 K HN 0.230 nan 8.250 nan 0.000 0.475 536 L N 4.645 125.832 121.223 -0.060 0.000 2.261 536 L HA 0.330 4.670 4.340 -0.001 0.000 0.289 536 L C 0.256 177.204 176.870 0.129 0.000 1.059 536 L CA 0.091 54.904 54.840 -0.045 0.000 0.816 536 L CB 0.504 42.558 42.059 -0.008 0.000 1.191 536 L HN 0.851 nan 8.230 nan 0.000 0.431 537 T N 1.667 116.333 114.554 0.186 0.000 2.940 537 T HA 0.720 5.069 4.350 -0.001 0.000 0.288 537 T C -2.660 172.169 174.700 0.215 0.000 1.033 537 T CA -2.375 59.826 62.100 0.169 0.000 1.033 537 T CB 1.583 70.514 68.868 0.105 0.000 1.079 537 T HN 0.220 nan 8.240 nan 0.000 0.496 538 P HA 0.234 nan 4.420 nan 0.000 0.263 538 P C -0.481 176.827 177.300 0.015 0.000 1.195 538 P CA -0.386 62.751 63.100 0.061 0.000 0.762 538 P CB 0.068 31.792 31.700 0.041 0.000 0.799 539 I N 7.257 127.774 120.570 -0.089 0.000 2.496 539 I HA 0.118 4.288 4.170 -0.001 0.000 0.285 539 I C -1.345 174.732 176.117 -0.067 0.000 1.080 539 I CA -2.285 58.945 61.300 -0.117 0.000 1.404 539 I CB 0.849 38.675 38.000 -0.290 0.000 1.403 539 I HN 0.384 nan 8.210 nan 0.000 0.539 540 P HA -0.128 nan 4.420 nan 0.000 0.216 540 P C 0.884 178.162 177.300 -0.037 0.000 1.150 540 P CA 1.338 64.422 63.100 -0.027 0.000 0.837 540 P CB 0.071 31.763 31.700 -0.014 0.000 0.786 541 A N -0.512 122.280 122.820 -0.047 0.000 2.239 541 A HA 0.188 4.508 4.320 -0.001 0.000 0.209 541 A C 2.081 179.629 177.584 -0.060 0.000 1.171 541 A CA 1.078 53.087 52.037 -0.046 0.000 0.768 541 A CB -1.161 17.814 19.000 -0.041 0.000 0.790 541 A HN 0.189 nan 8.150 nan 0.000 0.478 542 A N -0.607 122.172 122.820 -0.069 0.000 2.119 542 A HA 0.066 4.385 4.320 -0.001 0.000 0.217 542 A C 2.279 179.817 177.584 -0.077 0.000 1.153 542 A CA 1.630 53.620 52.037 -0.078 0.000 0.692 542 A CB -0.336 18.620 19.000 -0.074 0.000 0.799 542 A HN 0.433 nan 8.150 nan 0.000 0.458 543 S N -0.264 115.400 115.700 -0.061 0.000 2.356 543 S HA -0.089 4.381 4.470 -0.001 0.000 0.219 543 S C 2.013 176.575 174.600 -0.062 0.000 1.036 543 S CA 0.869 59.035 58.200 -0.057 0.000 0.965 543 S CB -0.249 62.928 63.200 -0.040 0.000 0.864 543 S HN 0.597 nan 8.310 nan 0.000 0.471 544 Q N 0.649 120.417 119.800 -0.053 0.000 2.170 544 Q HA 0.055 4.394 4.340 -0.001 0.000 0.203 544 Q C 0.717 176.682 176.000 -0.058 0.000 0.976 544 Q CA 0.430 56.205 55.803 -0.046 0.000 0.858 544 Q CB -0.635 28.083 28.738 -0.033 0.000 0.907 544 Q HN 0.376 nan 8.270 nan 0.000 0.433 545 L N 3.142 124.320 121.223 -0.075 0.000 2.462 545 L HA 0.060 4.400 4.340 -0.001 0.000 0.283 545 L C -0.444 176.338 176.870 -0.146 0.000 1.166 545 L CA 0.088 54.869 54.840 -0.098 0.000 0.964 545 L CB -0.029 41.966 42.059 -0.105 0.000 1.294 545 L HN -0.158 nan 8.230 nan 0.000 0.449 546 D N 3.811 124.137 120.400 -0.124 0.000 2.308 546 D HA 0.138 4.778 4.640 -0.001 0.000 0.251 546 D C 0.003 176.171 176.300 -0.221 0.000 1.127 546 D CA -0.034 53.879 54.000 -0.145 0.000 0.876 546 D CB 1.055 41.803 40.800 -0.087 0.000 1.176 546 D HN 0.422 nan 8.370 nan 0.000 0.446 547 L N 3.084 124.111 121.223 -0.327 0.000 2.648 547 L HA 0.182 4.521 4.340 -0.001 0.000 0.238 547 L C 0.307 177.039 176.870 -0.230 0.000 1.316 547 L CA -0.350 54.143 54.840 -0.578 0.000 1.241 547 L CB -0.156 41.377 42.059 -0.877 0.000 1.499 547 L HN 0.092 nan 8.230 nan 0.000 0.411 548 S N 0.935 116.593 115.700 -0.070 0.000 2.481 548 S HA 0.413 4.882 4.470 -0.001 0.000 0.276 548 S C 1.232 175.872 174.600 0.066 0.000 1.247 548 S CA 0.231 58.431 58.200 0.000 0.000 1.053 548 S CB 1.228 64.415 63.200 -0.020 0.000 0.925 548 S HN 0.820 nan 8.310 nan 0.000 0.491 549 G N 2.234 111.070 108.800 0.060 0.000 2.159 549 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.256 549 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.256 549 G C 0.551 175.544 174.900 0.156 0.000 0.977 549 G CA 0.061 45.179 45.100 0.031 0.000 0.652 549 G HN 0.706 nan 8.290 nan 0.000 0.531 550 W N -0.111 121.078 121.300 -0.185 0.000 2.407 550 W HA 0.437 5.097 4.660 -0.001 0.000 0.305 550 W C 1.096 177.227 176.519 -0.645 0.000 1.196 550 W CA 1.316 58.351 57.345 -0.517 0.000 1.311 550 W CB -0.154 28.757 29.460 -0.915 0.000 1.135 550 W HN 0.223 nan 8.180 nan 0.000 0.514 551 F N -0.651 119.488 119.950 0.316 0.000 2.531 551 F HA 0.319 4.846 4.527 -0.001 0.000 0.333 551 F C 0.420 176.347 175.800 0.212 0.000 1.292 551 F CA -0.729 57.447 58.000 0.293 0.000 1.184 551 F CB -0.203 38.943 39.000 0.244 0.000 1.426 551 F HN -0.392 nan 8.300 nan 0.000 0.559 552 V N 0.105 120.219 119.914 0.333 0.000 2.743 552 V HA 0.624 4.743 4.120 -0.001 0.000 0.237 552 V C 0.944 177.178 176.094 0.233 0.000 1.113 552 V CA 0.677 63.115 62.300 0.230 0.000 1.141 552 V CB 0.295 32.228 31.823 0.184 0.000 0.873 552 V HN 0.467 nan 8.190 nan 0.000 0.486 553 A N -0.699 122.232 122.820 0.185 0.000 2.593 553 A HA 0.801 5.120 4.320 -0.001 0.000 0.290 553 A C -0.290 177.011 177.584 -0.471 0.000 1.126 553 A CA 0.073 52.073 52.037 -0.062 0.000 0.695 553 A CB 1.175 19.990 19.000 -0.309 0.000 1.290 553 A HN 0.422 nan 8.150 nan 0.000 0.414 554 G N -1.397 106.816 108.800 -0.979 0.000 2.389 554 G HA2 0.553 4.513 3.960 -0.001 0.000 0.328 554 G HA3 0.553 4.513 3.960 -0.001 0.000 0.328 554 G C -1.011 173.241 174.900 -1.079 0.000 1.133 554 G CA -0.137 44.047 45.100 -1.525 0.000 0.891 554 G HN 0.599 nan 8.290 nan 0.000 0.485 555 Y N 0.652 120.732 120.300 -0.365 0.000 2.742 555 Y HA 0.295 4.845 4.550 -0.001 0.000 0.248 555 Y C 1.239 177.061 175.900 -0.131 0.000 1.132 555 Y CA -0.785 57.205 58.100 -0.183 0.000 1.142 555 Y CB 0.573 38.961 38.460 -0.120 0.000 1.222 555 Y HN 0.511 nan 8.280 nan 0.000 0.575 556 S N 0.875 116.546 115.700 -0.048 0.000 2.596 556 S HA 0.298 4.768 4.470 -0.001 0.000 0.298 556 S C 1.467 176.088 174.600 0.034 0.000 1.255 556 S CA 1.507 59.711 58.200 0.008 0.000 1.083 556 S CB -0.007 63.205 63.200 0.019 0.000 0.837 556 S HN 1.095 nan 8.310 nan 0.000 0.499 557 G N 3.570 112.391 108.800 0.035 0.000 2.184 557 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.264 557 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.264 557 G C 0.802 175.729 174.900 0.045 0.000 0.975 557 G CA 0.406 45.530 45.100 0.039 0.000 0.642 557 G HN 1.378 nan 8.290 nan 0.000 0.536 558 G N -0.179 108.654 108.800 0.054 0.000 3.042 558 G HA2 0.389 4.349 3.960 -0.001 0.000 0.212 558 G HA3 0.389 4.349 3.960 -0.001 0.000 0.212 558 G C 0.476 175.390 174.900 0.022 0.000 1.166 558 G CA 1.120 46.268 45.100 0.080 0.000 0.767 558 G HN 1.250 nan 8.290 nan 0.000 0.546 559 D N -0.379 119.996 120.400 -0.042 0.000 2.699 559 D HA -0.166 4.473 4.640 -0.001 0.000 0.239 559 D C -0.080 176.128 176.300 -0.154 0.000 1.136 559 D CA 0.361 54.296 54.000 -0.107 0.000 0.668 559 D CB -1.214 39.539 40.800 -0.078 0.000 1.060 559 D HN 0.128 nan 8.370 nan 0.000 0.429 560 I N 1.277 121.721 120.570 -0.210 0.000 2.441 560 I HA 0.396 4.566 4.170 -0.001 0.000 0.295 560 I C -0.009 175.845 176.117 -0.438 0.000 0.994 560 I CA -0.792 60.285 61.300 -0.372 0.000 1.144 560 I CB 1.217 38.863 38.000 -0.590 0.000 1.314 560 I HN 0.101 nan 8.210 nan 0.000 0.445 561 Y N 5.640 125.572 120.300 -0.614 0.000 2.425 561 Y HA 0.522 5.071 4.550 -0.001 0.000 0.344 561 Y C -0.650 174.860 175.900 -0.650 0.000 0.969 561 Y CA -0.407 57.346 58.100 -0.579 0.000 1.052 561 Y CB 1.479 39.736 38.460 -0.338 0.000 1.215 561 Y HN 0.637 nan 8.280 nan 0.000 0.451 562 H N 0.000 118.445 119.070 -1.042 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 562 H CA 0.000 55.597 56.048 -0.751 0.000 1.023 562 H CB 0.000 29.395 29.762 -0.611 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496