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 1eve_1_A DATA FIRST_RESID 2 DATA SEQUENCE DHSELLVNTK SGKVMGTRVP VLSSHISAFL GIPFAEPPVG NMRFRRPEPK DATA SEQUENCE KPWSGVWNAS TYPNNcQQYV DEQFPGFSGS EMWNPNREMS EDcLYLNIWV DATA SEQUENCE PSPRPKSTTV MVWIYGGGFY SGSSTLDVYN GKYLAYTEEV VLVSLSYRVG DATA SEQUENCE AFGFLALHGS QEAPGNVGLL DQRMALQWVH DNIQFFGGDP KTVTIFGESA DATA SEQUENCE GGASVGMHIL SPGSRDLFRR AILQSGSPNC PWASVSVAEG RRRAVELGRN DATA SEQUENCE LNcNLNSDEE LIHcLREKKP QELIDVEWNV LPFDSIFRFS FVPVIDGEFF DATA SEQUENCE PTSLESMLNS GNFKKTQILL GVNKDEGSFF LLYGAPGFSK DSESKISRED DATA SEQUENCE FMSGVKLSVP HANDLGLDAV TLQYTDWMDD NNGIKNRDGL DDIVGDHNVI DATA SEQUENCE cPLMHFVNKY TKFGNGTYLY FFNHRASNLV WPEWMGVIHG YEIEFVFGLP DATA SEQUENCE LVKELNYTAE EEALSRRIMH YWATFAKTGN PNEPHSQESK WPLFTTKEQK DATA SEQUENCE FIDLNTEPMK VHQRLRVQMc VFWNQFLPKL LNAT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.304 176.300 0.006 0.000 2.045 2 D CA 0.000 53.995 54.000 -0.008 0.000 0.868 2 D CB 0.000 40.794 40.800 -0.009 0.000 0.688 3 H N -0.852 118.228 119.070 0.016 0.000 4.819 3 H HA 0.875 5.430 4.556 -0.001 0.000 0.100 3 H C 1.464 176.811 175.328 0.032 0.000 1.259 3 H CA 1.226 57.288 56.048 0.022 0.000 0.709 3 H CB -0.200 29.576 29.762 0.024 0.000 1.480 3 H HN 1.008 nan 8.280 nan 0.000 0.183 4 S N -0.319 115.407 115.700 0.042 0.000 2.669 4 S HA 0.194 4.664 4.470 -0.001 0.000 0.270 4 S C 1.276 175.922 174.600 0.077 0.000 1.225 4 S CA 0.400 58.631 58.200 0.052 0.000 0.991 4 S CB 1.126 64.354 63.200 0.048 0.000 0.987 4 S HN 0.741 nan 8.310 nan 0.000 0.552 5 E N 0.871 121.122 120.200 0.085 0.000 2.274 5 E HA -0.005 4.344 4.350 -0.001 0.000 0.194 5 E C 0.973 177.695 176.600 0.203 0.000 0.996 5 E CA 0.762 57.237 56.400 0.125 0.000 0.840 5 E CB -0.101 29.662 29.700 0.106 0.000 0.772 5 E HN 0.687 nan 8.360 nan 0.000 0.491 6 L N 1.276 122.594 121.223 0.158 0.000 2.629 6 L HA 0.204 4.543 4.340 -0.001 0.000 0.230 6 L C -0.090 176.961 176.870 0.301 0.000 1.151 6 L CA -0.354 54.591 54.840 0.175 0.000 0.924 6 L CB 0.383 42.447 42.059 0.007 0.000 1.137 6 L HN 0.120 nan 8.230 nan 0.000 0.457 7 L N 0.654 122.029 121.223 0.252 0.000 2.343 7 L HA 0.541 4.881 4.340 -0.001 0.000 0.278 7 L C -0.715 176.222 176.870 0.111 0.000 0.996 7 L CA -0.331 54.631 54.840 0.203 0.000 0.831 7 L CB 1.703 43.831 42.059 0.115 0.000 1.232 7 L HN -0.296 nan 8.230 nan 0.000 0.413 8 V N 5.091 125.037 119.914 0.055 0.000 2.487 8 V HA 0.412 4.532 4.120 -0.001 0.000 0.298 8 V C -0.208 175.766 176.094 -0.200 0.000 1.028 8 V CA -0.746 61.412 62.300 -0.236 0.000 0.860 8 V CB 1.822 33.162 31.823 -0.805 0.000 0.991 8 V HN 0.794 nan 8.190 nan 0.000 0.427 9 N N 3.025 121.553 118.700 -0.286 0.000 2.462 9 N HA 0.358 5.097 4.740 -0.001 0.000 0.242 9 N C -0.022 175.109 175.510 -0.633 0.000 1.010 9 N CA -0.237 52.617 53.050 -0.328 0.000 0.939 9 N CB 1.062 39.374 38.487 -0.292 0.000 1.127 9 N HN 0.879 nan 8.380 nan 0.000 0.509 10 T N 0.473 114.759 114.554 -0.446 0.000 2.923 10 T HA 0.287 4.637 4.350 -0.001 0.000 0.281 10 T C 1.120 175.547 174.700 -0.454 0.000 0.995 10 T CA -0.569 61.236 62.100 -0.492 0.000 0.985 10 T CB 1.456 70.303 68.868 -0.035 0.000 1.114 10 T HN 0.351 nan 8.240 nan 0.000 0.548 11 K N 0.206 120.402 120.400 -0.339 0.000 2.362 11 K HA 0.013 4.333 4.320 -0.001 0.000 0.200 11 K C 2.062 178.501 176.600 -0.267 0.000 1.046 11 K CA 0.873 57.010 56.287 -0.249 0.000 0.952 11 K CB -0.075 32.343 32.500 -0.138 0.000 0.753 11 K HN 0.425 nan 8.250 nan 0.000 0.466 12 S N -0.450 115.059 115.700 -0.318 0.000 2.492 12 S HA 0.181 4.650 4.470 -0.001 0.000 0.218 12 S C 0.543 174.419 174.600 -1.207 0.000 1.016 12 S CA 0.341 58.204 58.200 -0.563 0.000 0.916 12 S CB 0.916 63.925 63.200 -0.320 0.000 0.791 12 S HN 0.551 nan 8.310 nan 0.000 0.513 13 G N 0.912 109.200 108.800 -0.852 0.000 2.369 13 G HA2 0.141 4.101 3.960 -0.001 0.000 0.295 13 G HA3 0.141 4.101 3.960 -0.001 0.000 0.295 13 G C -1.885 172.923 174.900 -0.153 0.000 1.298 13 G CA -1.124 43.513 45.100 -0.772 0.000 0.940 13 G HN 0.087 nan 8.290 nan 0.000 0.536 14 K N -0.555 119.932 120.400 0.144 0.000 2.218 14 K HA 0.614 4.934 4.320 -0.001 0.000 0.276 14 K C -0.504 176.434 176.600 0.563 0.000 1.022 14 K CA -0.483 55.965 56.287 0.269 0.000 0.946 14 K CB 1.906 34.520 32.500 0.190 0.000 1.000 14 K HN 0.337 nan 8.250 nan 0.000 0.468 15 V N 3.568 123.754 119.914 0.455 0.000 2.588 15 V HA 0.305 4.424 4.120 -0.001 0.000 0.304 15 V C -0.863 175.531 176.094 0.500 0.000 1.042 15 V CA -0.938 61.698 62.300 0.560 0.000 0.877 15 V CB 1.725 33.936 31.823 0.646 0.000 0.996 15 V HN 0.713 nan 8.190 nan 0.000 0.425 16 M N 4.332 124.186 119.600 0.423 0.000 2.149 16 M HA 0.762 5.241 4.480 -0.001 0.000 0.342 16 M C 0.226 176.633 176.300 0.178 0.000 1.068 16 M CA 0.069 55.541 55.300 0.286 0.000 0.991 16 M CB 0.976 33.671 32.600 0.158 0.000 1.596 16 M HN 0.734 nan 8.290 nan 0.000 0.439 17 G N 1.671 110.444 108.800 -0.045 0.000 2.606 17 G HA2 0.669 4.629 3.960 -0.001 0.000 0.262 17 G HA3 0.669 4.629 3.960 -0.001 0.000 0.262 17 G C -1.119 173.584 174.900 -0.329 0.000 1.394 17 G CA -0.382 44.398 45.100 -0.534 0.000 1.044 17 G HN 0.706 nan 8.290 nan 0.000 0.553 18 T N -1.523 112.803 114.554 -0.380 0.000 2.923 18 T HA 0.485 4.834 4.350 -0.001 0.000 0.311 18 T C -0.846 173.748 174.700 -0.177 0.000 1.183 18 T CA -0.681 61.290 62.100 -0.214 0.000 1.020 18 T CB 1.531 70.297 68.868 -0.170 0.000 1.165 18 T HN 0.533 nan 8.240 nan 0.000 0.482 19 R N 3.301 123.740 120.500 -0.100 0.000 2.248 19 R HA 0.589 4.929 4.340 -0.001 0.000 0.328 19 R C -0.958 175.354 176.300 0.019 0.000 1.067 19 R CA -0.307 55.771 56.100 -0.038 0.000 0.924 19 R CB 0.212 30.478 30.300 -0.057 0.000 1.013 19 R HN 0.460 nan 8.270 nan 0.000 0.454 20 V N 7.739 127.689 119.914 0.060 0.000 2.435 20 V HA 0.365 4.484 4.120 -0.001 0.000 0.290 20 V C -2.149 173.991 176.094 0.077 0.000 1.030 20 V CA -2.311 60.026 62.300 0.062 0.000 0.881 20 V CB 1.830 33.682 31.823 0.048 0.000 0.983 20 V HN 0.803 nan 8.190 nan 0.000 0.445 21 P HA 0.338 nan 4.420 nan 0.000 0.276 21 P C -1.142 175.990 177.300 -0.280 0.000 1.235 21 P CA -0.091 62.847 63.100 -0.270 0.000 0.772 21 P CB 0.815 32.414 31.700 -0.169 0.000 0.871 22 V N 5.132 124.796 119.914 -0.417 0.000 2.577 22 V HA 0.167 4.286 4.120 -0.001 0.000 0.294 22 V C 0.127 175.956 176.094 -0.440 0.000 1.052 22 V CA -0.832 61.241 62.300 -0.377 0.000 0.891 22 V CB 1.081 32.629 31.823 -0.459 0.000 1.017 22 V HN 0.471 nan 8.190 nan 0.000 0.436 23 L N 4.332 125.438 121.223 -0.194 0.000 3.895 23 L HA -0.308 4.032 4.340 -0.001 0.000 0.511 23 L C 1.245 178.007 176.870 -0.180 0.000 1.222 23 L CA 0.801 55.562 54.840 -0.131 0.000 0.739 23 L CB -1.972 40.067 42.059 -0.033 0.000 1.425 23 L HN 1.002 nan 8.230 nan 0.000 0.817 24 S N -2.938 112.649 115.700 -0.188 0.000 2.298 24 S HA -0.276 4.194 4.470 -0.001 0.000 0.240 24 S C 0.772 175.243 174.600 -0.215 0.000 1.197 24 S CA 1.732 59.840 58.200 -0.154 0.000 1.575 24 S CB -0.487 62.678 63.200 -0.058 0.000 2.016 24 S HN 0.835 nan 8.310 nan 0.000 0.604 25 S N 0.543 116.045 115.700 -0.330 0.000 2.677 25 S HA 0.708 5.178 4.470 -0.001 0.000 0.290 25 S C -0.613 173.674 174.600 -0.521 0.000 1.124 25 S CA -0.499 57.535 58.200 -0.276 0.000 1.017 25 S CB 0.712 63.795 63.200 -0.195 0.000 1.215 25 S HN 0.485 nan 8.310 nan 0.000 0.524 26 H N -0.156 118.839 119.070 -0.125 0.000 3.012 26 H HA 0.597 5.152 4.556 -0.001 0.000 0.367 26 H C -0.642 174.691 175.328 0.009 0.000 1.211 26 H CA -0.418 55.585 56.048 -0.076 0.000 1.139 26 H CB 1.526 31.272 29.762 -0.027 0.000 1.838 26 H HN 0.737 nan 8.280 nan 0.000 0.550 27 I N -1.889 118.776 120.570 0.159 0.000 3.279 27 I HA 0.588 4.757 4.170 -0.001 0.000 0.315 27 I C -0.779 175.430 176.117 0.153 0.000 1.225 27 I CA -0.900 60.513 61.300 0.188 0.000 0.947 27 I CB 2.317 40.458 38.000 0.235 0.000 1.293 27 I HN 0.282 nan 8.210 nan 0.000 0.468 28 S N 1.154 116.956 115.700 0.170 0.000 2.617 28 S HA 0.863 5.332 4.470 -0.001 0.000 0.283 28 S C -0.360 174.247 174.600 0.012 0.000 1.189 28 S CA -0.470 57.765 58.200 0.059 0.000 1.036 28 S CB 1.549 64.834 63.200 0.141 0.000 1.014 28 S HN 0.901 nan 8.310 nan 0.000 0.522 29 A N 1.787 124.431 122.820 -0.293 0.000 2.402 29 A HA 0.715 5.034 4.320 -0.001 0.000 0.291 29 A C -1.452 175.776 177.584 -0.594 0.000 1.051 29 A CA -0.627 51.165 52.037 -0.409 0.000 0.716 29 A CB 0.456 19.219 19.000 -0.395 0.000 1.223 29 A HN 0.635 nan 8.150 nan 0.000 0.425 30 F N 3.159 122.987 119.950 -0.203 0.000 2.307 30 F HA 0.459 4.985 4.527 -0.001 0.000 0.369 30 F C -0.080 175.613 175.800 -0.177 0.000 1.076 30 F CA -0.366 57.592 58.000 -0.069 0.000 1.149 30 F CB 1.094 40.150 39.000 0.093 0.000 1.410 30 F HN 0.371 nan 8.300 nan 0.000 0.481 31 L N 2.205 123.382 121.223 -0.076 0.000 2.309 31 L HA 0.694 5.033 4.340 -0.001 0.000 0.282 31 L C 0.918 177.831 176.870 0.072 0.000 1.036 31 L CA -0.960 53.842 54.840 -0.064 0.000 0.806 31 L CB 1.432 43.377 42.059 -0.191 0.000 1.220 31 L HN 0.801 nan 8.230 nan 0.000 0.429 32 G N 3.425 112.293 108.800 0.115 0.000 2.289 32 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.280 32 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.280 32 G C -0.314 174.726 174.900 0.233 0.000 1.089 32 G CA -0.423 44.749 45.100 0.120 0.000 0.939 32 G HN 0.488 nan 8.290 nan 0.000 0.499 33 I N 2.053 122.688 120.570 0.108 0.000 2.325 33 I HA 0.274 4.444 4.170 -0.001 0.000 0.291 33 I C -1.544 174.416 176.117 -0.262 0.000 1.019 33 I CA -2.392 58.803 61.300 -0.176 0.000 1.302 33 I CB 1.538 39.394 38.000 -0.240 0.000 1.401 33 I HN 0.003 nan 8.210 nan 0.000 0.485 34 P HA 0.057 nan 4.420 nan 0.000 0.276 34 P C -0.239 176.710 177.300 -0.585 0.000 1.243 34 P CA -0.039 62.584 63.100 -0.795 0.000 0.768 34 P CB 0.533 31.686 31.700 -0.911 0.000 0.856 35 F N 1.353 120.975 119.950 -0.546 0.000 2.682 35 F HA 0.723 5.250 4.527 -0.001 0.000 0.308 35 F C 0.152 175.853 175.800 -0.164 0.000 1.093 35 F CA -0.858 56.879 58.000 -0.438 0.000 1.244 35 F CB 0.131 38.865 39.000 -0.444 0.000 1.052 35 F HN 0.340 nan 8.300 nan 0.000 0.573 36 A N -0.119 122.376 122.820 -0.541 0.000 2.609 36 A HA 0.590 4.909 4.320 -0.001 0.000 0.291 36 A C -1.012 176.379 177.584 -0.323 0.000 1.096 36 A CA -0.796 51.051 52.037 -0.316 0.000 0.684 36 A CB 1.025 19.826 19.000 -0.333 0.000 1.282 36 A HN 0.037 nan 8.150 nan 0.000 0.412 37 E N 1.016 121.118 120.200 -0.163 0.000 2.338 37 E HA 0.311 4.661 4.350 -0.001 0.000 0.272 37 E C -2.360 174.148 176.600 -0.154 0.000 1.029 37 E CA -1.487 54.842 56.400 -0.118 0.000 0.872 37 E CB 0.372 30.047 29.700 -0.041 0.000 1.015 37 E HN 0.229 nan 8.360 nan 0.000 0.417 38 P HA -0.030 nan 4.420 nan 0.000 0.256 38 P C -2.095 175.151 177.300 -0.090 0.000 1.173 38 P CA -0.536 62.494 63.100 -0.116 0.000 0.768 38 P CB 0.016 31.686 31.700 -0.049 0.000 0.758 39 P HA -0.025 nan 4.420 nan 0.000 0.261 39 P C -0.029 177.218 177.300 -0.088 0.000 1.650 39 P CA 0.203 63.252 63.100 -0.085 0.000 0.846 39 P CB -0.189 31.458 31.700 -0.088 0.000 1.758 40 V N -3.768 116.103 119.914 -0.072 0.000 2.997 40 V HA 0.821 4.941 4.120 -0.001 0.000 0.311 40 V C 1.093 177.156 176.094 -0.052 0.000 1.066 40 V CA 0.190 62.449 62.300 -0.068 0.000 1.039 40 V CB 0.398 32.190 31.823 -0.051 0.000 1.081 40 V HN 0.482 nan 8.190 nan 0.000 0.467 41 G N 2.778 111.548 108.800 -0.050 0.000 2.561 41 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.289 41 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.289 41 G C 0.474 175.358 174.900 -0.027 0.000 1.169 41 G CA 0.981 46.063 45.100 -0.030 0.000 0.980 41 G HN 1.060 nan 8.290 nan 0.000 0.550 42 N N 0.600 119.300 118.700 -0.000 0.000 2.453 42 N HA 0.108 4.848 4.740 -0.001 0.000 0.183 42 N C 2.201 177.721 175.510 0.016 0.000 1.041 42 N CA 1.400 54.463 53.050 0.022 0.000 0.900 42 N CB -0.101 38.407 38.487 0.035 0.000 0.961 42 N HN 0.476 nan 8.380 nan 0.000 0.443 43 M N 0.348 119.943 119.600 -0.009 0.000 2.618 43 M HA 0.031 4.510 4.480 -0.001 0.000 0.240 43 M C 0.546 176.817 176.300 -0.048 0.000 1.123 43 M CA 0.095 55.387 55.300 -0.013 0.000 1.060 43 M CB 0.073 32.662 32.600 -0.018 0.000 1.535 43 M HN 0.103 nan 8.290 nan 0.000 0.507 44 R N 0.659 121.090 120.500 -0.115 0.000 2.489 44 R HA -0.024 4.316 4.340 -0.001 0.000 0.287 44 R C -0.335 175.805 176.300 -0.267 0.000 1.053 44 R CA 0.592 56.502 56.100 -0.318 0.000 1.036 44 R CB 0.231 30.224 30.300 -0.512 0.000 0.966 44 R HN 0.228 nan 8.270 nan 0.000 0.432 45 F N -0.502 119.450 119.950 0.004 0.000 2.502 45 F HA -0.286 4.240 4.527 -0.001 0.000 0.480 45 F C 0.651 176.438 175.800 -0.022 0.000 0.543 45 F CA 0.879 58.860 58.000 -0.032 0.000 1.350 45 F CB -1.384 37.585 39.000 -0.052 0.000 1.999 45 F HN 0.626 nan 8.300 nan 0.000 0.267 46 R N 1.051 121.624 120.500 0.122 0.000 2.577 46 R HA 0.499 4.839 4.340 -0.001 0.000 0.269 46 R C 0.684 177.014 176.300 0.050 0.000 1.084 46 R CA -0.765 55.383 56.100 0.079 0.000 1.163 46 R CB 0.550 30.883 30.300 0.055 0.000 1.100 46 R HN 0.085 nan 8.270 nan 0.000 0.547 47 R N 1.900 122.429 120.500 0.049 0.000 2.734 47 R HA 0.077 4.416 4.340 -0.001 0.000 0.266 47 R C -1.929 174.395 176.300 0.039 0.000 1.044 47 R CA -1.084 55.043 56.100 0.046 0.000 1.128 47 R CB 0.008 30.341 30.300 0.054 0.000 1.010 47 R HN 0.422 nan 8.270 nan 0.000 0.461 48 P HA 0.032 nan 4.420 nan 0.000 0.271 48 P C -0.951 176.378 177.300 0.047 0.000 1.216 48 P CA 0.137 63.263 63.100 0.043 0.000 0.776 48 P CB 0.893 32.643 31.700 0.085 0.000 0.881 49 E N 3.119 123.334 120.200 0.025 0.000 2.179 49 E HA 0.389 4.739 4.350 -0.001 0.000 0.275 49 E C -2.340 174.283 176.600 0.039 0.000 0.945 49 E CA -2.367 54.053 56.400 0.033 0.000 0.792 49 E CB 0.673 30.385 29.700 0.020 0.000 1.125 49 E HN 0.311 nan 8.360 nan 0.000 0.397 50 P HA -0.027 nan 4.420 nan 0.000 0.266 50 P C -0.324 177.020 177.300 0.074 0.000 1.195 50 P CA -0.107 63.052 63.100 0.097 0.000 0.768 50 P CB 0.423 32.187 31.700 0.106 0.000 0.838 51 K N 4.023 124.472 120.400 0.082 0.000 2.419 51 K HA 0.010 4.330 4.320 -0.001 0.000 0.282 51 K C -0.182 176.498 176.600 0.133 0.000 1.056 51 K CA 0.428 56.761 56.287 0.077 0.000 1.035 51 K CB -0.272 32.271 32.500 0.070 0.000 0.921 51 K HN 0.231 nan 8.250 nan 0.000 0.472 52 K N 6.293 126.765 120.400 0.120 0.000 2.472 52 K HA 0.039 4.358 4.320 -0.001 0.000 0.280 52 K C -2.144 174.550 176.600 0.157 0.000 1.028 52 K CA -1.345 55.011 56.287 0.114 0.000 1.045 52 K CB 0.049 32.614 32.500 0.108 0.000 0.902 52 K HN 0.519 nan 8.250 nan 0.000 0.478 53 P HA -0.103 nan 4.420 nan 0.000 0.265 53 P C -1.097 176.228 177.300 0.042 0.000 1.187 53 P CA 0.150 63.178 63.100 -0.121 0.000 0.766 53 P CB 0.251 31.851 31.700 -0.166 0.000 0.820 54 W N 1.246 122.607 121.300 0.103 0.000 2.578 54 W HA 0.710 5.370 4.660 -0.001 0.000 0.346 54 W C -0.840 175.755 176.519 0.125 0.000 1.075 54 W CA -0.748 56.686 57.345 0.148 0.000 1.233 54 W CB 0.228 29.851 29.460 0.272 0.000 1.358 54 W HN 0.119 nan 8.180 nan 0.000 0.574 55 S N 1.480 117.378 115.700 0.331 0.000 2.578 55 S HA 0.771 5.241 4.470 -0.001 0.000 0.283 55 S C 0.447 175.224 174.600 0.295 0.000 1.195 55 S CA 0.444 58.770 58.200 0.209 0.000 1.050 55 S CB 0.950 64.230 63.200 0.133 0.000 1.012 55 S HN 1.413 nan 8.310 nan 0.000 0.511 56 G N 0.705 109.635 108.800 0.218 0.000 2.681 56 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.220 56 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.220 56 G C -0.965 174.125 174.900 0.316 0.000 1.353 56 G CA -0.533 44.694 45.100 0.211 0.000 0.872 56 G HN 0.909 nan 8.290 nan 0.000 0.557 57 V N 0.909 120.973 119.914 0.249 0.000 2.427 57 V HA 0.525 4.644 4.120 -0.001 0.000 0.286 57 V C 0.346 176.597 176.094 0.261 0.000 1.034 57 V CA -0.488 61.986 62.300 0.291 0.000 0.893 57 V CB 1.764 33.696 31.823 0.183 0.000 0.982 57 V HN 0.692 nan 8.190 nan 0.000 0.452 58 W N 5.087 126.473 121.300 0.143 0.000 2.322 58 W HA 0.290 4.950 4.660 -0.001 0.000 0.307 58 W C 0.137 176.648 176.519 -0.014 0.000 1.220 58 W CA -0.607 56.680 57.345 -0.098 0.000 1.210 58 W CB 1.046 30.268 29.460 -0.396 0.000 1.223 58 W HN 0.664 nan 8.180 nan 0.000 0.511 59 N N 4.491 123.027 118.700 -0.273 0.000 2.399 59 N HA 0.226 4.965 4.740 -0.001 0.000 0.259 59 N C -0.400 175.113 175.510 0.005 0.000 1.160 59 N CA 0.255 53.228 53.050 -0.128 0.000 0.946 59 N CB 0.796 39.148 38.487 -0.226 0.000 1.156 59 N HN 0.349 nan 8.380 nan 0.000 0.489 60 A N 2.692 125.616 122.820 0.172 0.000 3.154 60 A HA 0.239 4.558 4.320 -0.001 0.000 0.310 60 A C 0.995 178.590 177.584 0.019 0.000 1.093 60 A CA -0.365 51.792 52.037 0.200 0.000 1.006 60 A CB -0.470 18.750 19.000 0.367 0.000 1.084 60 A HN 0.651 nan 8.150 nan 0.000 0.549 61 S N -0.889 114.783 115.700 -0.048 0.000 2.497 61 S HA 0.103 4.573 4.470 -0.001 0.000 0.218 61 S C 0.947 175.460 174.600 -0.144 0.000 1.023 61 S CA 0.722 58.852 58.200 -0.115 0.000 0.913 61 S CB -0.286 62.853 63.200 -0.102 0.000 0.800 61 S HN 0.753 nan 8.310 nan 0.000 0.505 62 T N -0.618 113.869 114.554 -0.111 0.000 2.932 62 T HA 0.633 4.983 4.350 -0.001 0.000 0.289 62 T C -0.724 173.947 174.700 -0.048 0.000 1.039 62 T CA -0.764 61.269 62.100 -0.112 0.000 1.024 62 T CB 0.716 69.536 68.868 -0.081 0.000 1.090 62 T HN 0.074 nan 8.240 nan 0.000 0.496 63 Y N 2.930 123.191 120.300 -0.065 0.000 2.578 63 Y HA 0.299 4.848 4.550 -0.001 0.000 0.339 63 Y C -1.377 174.457 175.900 -0.111 0.000 1.231 63 Y CA -1.658 56.406 58.100 -0.059 0.000 1.461 63 Y CB 0.110 38.557 38.460 -0.022 0.000 1.323 63 Y HN 0.558 nan 8.280 nan 0.000 0.590 64 P HA 0.124 nan 4.420 nan 0.000 0.293 64 P C -1.009 176.206 177.300 -0.142 0.000 1.304 64 P CA -0.524 62.455 63.100 -0.201 0.000 0.767 64 P CB 1.107 32.627 31.700 -0.299 0.000 1.247 65 N N -0.595 117.990 118.700 -0.190 0.000 2.503 65 N HA 0.137 4.877 4.740 -0.001 0.000 0.267 65 N C -0.060 175.412 175.510 -0.063 0.000 1.214 65 N CA -0.277 52.710 53.050 -0.105 0.000 0.959 65 N CB 0.165 38.599 38.487 -0.089 0.000 1.142 65 N HN 0.393 nan 8.380 nan 0.000 0.455 66 N N -0.008 118.644 118.700 -0.079 0.000 2.508 66 N HA 0.286 5.026 4.740 -0.001 0.000 0.285 66 N C -0.673 174.784 175.510 -0.088 0.000 1.144 66 N CA -0.739 52.258 53.050 -0.089 0.000 0.978 66 N CB 0.998 39.408 38.487 -0.128 0.000 1.180 66 N HN 0.400 nan 8.380 nan 0.000 0.484 67 c N 1.305 119.853 118.600 -0.087 0.000 2.689 67 c HA 0.034 4.604 4.570 -0.001 0.000 0.409 67 c C 0.658 174.649 174.090 -0.165 0.000 1.293 67 c CA -0.584 55.673 56.329 -0.121 0.000 2.136 67 c CB -0.074 42.389 42.510 -0.078 0.000 2.719 67 c HN 0.536 nan 8.230 nan 0.000 0.644 68 Q N 2.757 122.376 119.800 -0.301 0.000 2.255 68 Q HA 0.177 4.516 4.340 -0.001 0.000 0.280 68 Q C 0.041 175.987 176.000 -0.090 0.000 1.068 68 Q CA 0.990 56.605 55.803 -0.314 0.000 0.911 68 Q CB 0.365 28.646 28.738 -0.762 0.000 1.157 68 Q HN 0.884 nan 8.270 nan 0.000 0.380 69 Q N 1.612 121.443 119.800 0.051 0.000 2.590 69 Q HA 0.338 4.678 4.340 -0.001 0.000 0.295 69 Q C -1.308 174.861 176.000 0.281 0.000 0.973 69 Q CA -1.042 54.881 55.803 0.200 0.000 0.768 69 Q CB 0.886 29.690 28.738 0.110 0.000 1.479 69 Q HN 0.471 nan 8.270 nan 0.000 0.419 70 Y N 1.004 121.484 120.300 0.300 0.000 2.425 70 Y HA 0.404 4.954 4.550 -0.001 0.000 0.331 70 Y C -1.043 175.024 175.900 0.279 0.000 1.157 70 Y CA 0.015 58.327 58.100 0.354 0.000 1.372 70 Y CB 1.005 39.813 38.460 0.580 0.000 1.253 70 Y HN 0.423 nan 8.280 nan 0.000 0.536 71 V N 6.790 126.490 119.914 -0.358 0.000 2.398 71 V HA 0.105 4.225 4.120 -0.001 0.000 0.286 71 V C -0.257 175.541 176.094 -0.494 0.000 1.026 71 V CA -1.094 61.037 62.300 -0.282 0.000 0.868 71 V CB 1.368 33.105 31.823 -0.142 0.000 0.982 71 V HN 0.760 nan 8.190 nan 0.000 0.443 72 D N 4.185 124.500 120.400 -0.141 0.000 2.382 72 D HA 0.088 4.727 4.640 -0.001 0.000 0.259 72 D C 0.411 176.733 176.300 0.036 0.000 1.224 72 D CA 0.339 54.364 54.000 0.041 0.000 0.894 72 D CB 0.919 41.878 40.800 0.265 0.000 1.127 72 D HN 0.709 nan 8.370 nan 0.000 0.487 73 E N 2.606 122.806 120.200 -0.001 0.000 2.812 73 E HA 0.016 4.366 4.350 -0.001 0.000 0.211 73 E C 0.979 177.550 176.600 -0.049 0.000 0.986 73 E CA -0.254 56.143 56.400 -0.006 0.000 1.119 73 E CB 0.776 30.450 29.700 -0.044 0.000 1.046 73 E HN 0.391 nan 8.360 nan 0.000 0.474 74 Q N -0.575 119.169 119.800 -0.093 0.000 2.123 74 Q HA -0.016 4.324 4.340 -0.001 0.000 0.199 74 Q C 0.152 175.690 176.000 -0.770 0.000 0.966 74 Q CA 1.052 56.555 55.803 -0.500 0.000 0.845 74 Q CB 0.178 28.457 28.738 -0.766 0.000 0.907 74 Q HN 0.228 nan 8.270 nan 0.000 0.439 75 F N 0.382 120.413 119.950 0.136 0.000 2.660 75 F HA 0.368 4.895 4.527 -0.001 0.000 0.352 75 F C -2.244 173.639 175.800 0.138 0.000 1.257 75 F CA -2.822 55.237 58.000 0.097 0.000 1.200 75 F CB 1.079 40.126 39.000 0.077 0.000 1.473 75 F HN -0.217 nan 8.300 nan 0.000 0.561 76 P HA 0.185 nan 4.420 nan 0.000 0.264 76 P C 1.026 178.412 177.300 0.142 0.000 1.193 76 P CA 1.221 64.399 63.100 0.129 0.000 0.763 76 P CB 0.871 32.610 31.700 0.065 0.000 0.810 77 G N 2.583 111.451 108.800 0.114 0.000 2.284 77 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.247 77 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.247 77 G C 0.076 175.040 174.900 0.107 0.000 1.012 77 G CA -0.405 44.745 45.100 0.083 0.000 0.618 77 G HN 0.529 nan 8.290 nan 0.000 0.521 78 F N 3.506 123.451 119.950 -0.008 0.000 2.471 78 F HA 0.492 5.018 4.527 -0.001 0.000 0.365 78 F C 1.766 177.507 175.800 -0.098 0.000 1.095 78 F CA -0.036 57.908 58.000 -0.092 0.000 1.174 78 F CB 1.031 39.966 39.000 -0.109 0.000 1.105 78 F HN 0.250 nan 8.300 nan 0.000 0.535 79 S N 3.273 118.592 115.700 -0.634 0.000 2.399 79 S HA -0.116 4.354 4.470 -0.001 0.000 0.231 79 S C 2.265 176.493 174.600 -0.620 0.000 1.022 79 S CA 0.893 58.776 58.200 -0.529 0.000 0.983 79 S CB -1.174 61.755 63.200 -0.451 0.000 0.803 79 S HN 0.789 nan 8.310 nan 0.000 0.480 80 G N 1.658 109.676 108.800 -1.305 0.000 2.450 80 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.220 80 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.220 80 G C 1.678 176.807 174.900 0.382 0.000 1.130 80 G CA 1.336 45.965 45.100 -0.785 0.000 0.760 80 G HN 0.816 nan 8.290 nan 0.000 0.557 81 S N -0.631 115.297 115.700 0.381 0.000 2.497 81 S HA 0.168 4.638 4.470 -0.001 0.000 0.221 81 S C 1.716 176.611 174.600 0.492 0.000 1.037 81 S CA 0.473 59.191 58.200 0.863 0.000 0.920 81 S CB 0.128 63.982 63.200 1.091 0.000 0.800 81 S HN 0.452 nan 8.310 nan 0.000 0.505 82 E N 1.877 122.201 120.200 0.207 0.000 2.371 82 E HA 0.066 4.415 4.350 -0.001 0.000 0.194 82 E C 1.927 178.494 176.600 -0.055 0.000 1.012 82 E CA 0.790 57.239 56.400 0.082 0.000 0.860 82 E CB -0.306 29.409 29.700 0.026 0.000 0.811 82 E HN 0.805 nan 8.360 nan 0.000 0.502 83 M N -1.672 117.812 119.600 -0.194 0.000 2.549 83 M HA -0.028 4.452 4.480 -0.001 0.000 0.260 83 M C 0.935 176.892 176.300 -0.571 0.000 1.076 83 M CA 1.314 56.340 55.300 -0.456 0.000 1.090 83 M CB -0.321 31.886 32.600 -0.655 0.000 1.418 83 M HN 0.040 nan 8.290 nan 0.000 0.486 84 W N 0.802 122.050 121.300 -0.086 0.000 3.107 84 W HA 0.289 4.949 4.660 -0.001 0.000 0.293 84 W C 0.424 176.860 176.519 -0.138 0.000 1.239 84 W CA -0.920 56.341 57.345 -0.139 0.000 1.653 84 W CB -0.029 29.381 29.460 -0.083 0.000 1.068 84 W HN 0.098 nan 8.180 nan 0.000 0.615 85 N N 1.438 120.186 118.700 0.081 0.000 2.467 85 N HA 0.133 4.873 4.740 -0.001 0.000 0.262 85 N C -2.501 172.972 175.510 -0.063 0.000 1.234 85 N CA -1.512 51.550 53.050 0.019 0.000 0.952 85 N CB -0.038 38.464 38.487 0.026 0.000 1.158 85 N HN -0.359 nan 8.380 nan 0.000 0.463 86 P HA 0.047 nan 4.420 nan 0.000 0.263 86 P C 0.226 177.467 177.300 -0.099 0.000 1.195 86 P CA 0.026 63.061 63.100 -0.108 0.000 0.762 86 P CB 0.232 31.878 31.700 -0.090 0.000 0.799 87 N N 2.894 121.521 118.700 -0.121 0.000 2.230 87 N HA 0.057 4.797 4.740 -0.001 0.000 0.202 87 N C 0.288 175.755 175.510 -0.073 0.000 1.119 87 N CA 0.201 53.193 53.050 -0.097 0.000 0.851 87 N CB 0.303 38.724 38.487 -0.110 0.000 0.990 87 N HN 0.176 nan 8.380 nan 0.000 0.497 88 R N 0.407 120.856 120.500 -0.084 0.000 2.888 88 R HA 0.290 4.629 4.340 -0.001 0.000 0.264 88 R C -0.635 175.624 176.300 -0.067 0.000 1.045 88 R CA -0.687 55.373 56.100 -0.065 0.000 0.962 88 R CB 1.362 31.616 30.300 -0.075 0.000 1.210 88 R HN 0.246 nan 8.270 nan 0.000 0.479 89 E N 1.531 121.695 120.200 -0.060 0.000 2.414 89 E HA 0.035 4.385 4.350 -0.001 0.000 0.263 89 E C -0.328 176.229 176.600 -0.070 0.000 1.000 89 E CA 0.132 56.496 56.400 -0.060 0.000 0.914 89 E CB 0.636 30.303 29.700 -0.056 0.000 0.948 89 E HN 0.252 nan 8.360 nan 0.000 0.444 90 M N 2.607 122.165 119.600 -0.070 0.000 2.235 90 M HA 0.207 4.686 4.480 -0.001 0.000 0.351 90 M C -0.105 176.139 176.300 -0.093 0.000 1.178 90 M CA 0.144 55.393 55.300 -0.086 0.000 1.143 90 M CB 1.547 34.097 32.600 -0.084 0.000 1.530 90 M HN 0.396 nan 8.290 nan 0.000 0.461 91 S N 0.662 116.293 115.700 -0.114 0.000 2.552 91 S HA 0.228 4.698 4.470 -0.001 0.000 0.272 91 S C -0.006 174.499 174.600 -0.158 0.000 1.150 91 S CA -0.693 57.437 58.200 -0.117 0.000 0.849 91 S CB 1.477 64.635 63.200 -0.070 0.000 1.113 91 S HN 0.826 nan 8.310 nan 0.000 0.458 92 E N 0.727 120.818 120.200 -0.181 0.000 2.274 92 E HA -0.052 4.298 4.350 -0.001 0.000 0.194 92 E C -0.371 176.158 176.600 -0.118 0.000 0.996 92 E CA 0.496 56.766 56.400 -0.217 0.000 0.840 92 E CB 0.085 29.656 29.700 -0.216 0.000 0.772 92 E HN 0.529 nan 8.360 nan 0.000 0.491 93 D N 0.304 120.673 120.400 -0.052 0.000 2.483 93 D HA -0.002 4.637 4.640 -0.001 0.000 0.220 93 D C 0.205 176.593 176.300 0.145 0.000 1.173 93 D CA -0.291 53.726 54.000 0.027 0.000 0.964 93 D CB -0.075 40.766 40.800 0.067 0.000 1.046 93 D HN 0.125 nan 8.370 nan 0.000 0.517 94 c N 2.072 120.724 118.600 0.087 0.000 3.785 94 c HA 0.377 4.947 4.570 -0.001 0.000 0.312 94 c C 0.848 175.037 174.090 0.164 0.000 1.566 94 c CA -0.657 55.783 56.329 0.185 0.000 1.837 94 c CB -1.281 41.255 42.510 0.043 0.000 2.826 94 c HN 0.421 nan 8.230 nan 0.000 0.667 95 L N 2.575 123.661 121.223 -0.228 0.000 2.451 95 L HA 0.319 4.659 4.340 -0.001 0.000 0.272 95 L C -0.774 175.418 176.870 -1.130 0.000 1.258 95 L CA 0.693 55.153 54.840 -0.633 0.000 1.132 95 L CB -0.877 40.674 42.059 -0.848 0.000 1.361 95 L HN 0.394 nan 8.230 nan 0.000 0.438 96 Y N 1.978 122.169 120.300 -0.182 0.000 2.634 96 Y HA 0.695 5.244 4.550 -0.001 0.000 0.340 96 Y C -0.158 175.920 175.900 0.298 0.000 1.058 96 Y CA -1.286 56.796 58.100 -0.030 0.000 1.081 96 Y CB 1.902 40.344 38.460 -0.030 0.000 1.295 96 Y HN 0.177 nan 8.280 nan 0.000 0.487 97 L N -0.180 121.238 121.223 0.325 0.000 2.393 97 L HA 0.747 5.086 4.340 -0.001 0.000 0.260 97 L C -1.438 175.495 176.870 0.105 0.000 1.002 97 L CA -1.120 53.839 54.840 0.199 0.000 0.818 97 L CB 1.978 44.065 42.059 0.046 0.000 1.369 97 L HN 0.459 nan 8.230 nan 0.000 0.412 98 N N 2.413 121.180 118.700 0.112 0.000 2.321 98 N HA 0.717 5.457 4.740 -0.001 0.000 0.299 98 N C -1.252 174.197 175.510 -0.102 0.000 1.048 98 N CA -0.235 52.787 53.050 -0.047 0.000 0.836 98 N CB 2.717 41.178 38.487 -0.044 0.000 1.269 98 N HN 0.655 nan 8.380 nan 0.000 0.486 99 I N 0.539 120.972 120.570 -0.228 0.000 2.498 99 I HA 0.378 4.548 4.170 -0.001 0.000 0.290 99 I C -0.712 175.369 176.117 -0.060 0.000 1.032 99 I CA -0.722 60.549 61.300 -0.049 0.000 1.073 99 I CB 2.195 40.111 38.000 -0.141 0.000 1.251 99 I HN 0.263 nan 8.210 nan 0.000 0.426 100 W N 6.034 127.471 121.300 0.228 0.000 2.361 100 W HA 0.524 5.184 4.660 -0.001 0.000 0.314 100 W C -1.005 175.655 176.519 0.235 0.000 1.041 100 W CA -0.635 56.839 57.345 0.215 0.000 1.241 100 W CB 2.032 31.586 29.460 0.158 0.000 1.279 100 W HN 0.101 nan 8.180 nan 0.000 0.436 101 V N 6.209 126.394 119.914 0.452 0.000 2.384 101 V HA 0.271 4.391 4.120 -0.001 0.000 0.287 101 V C -1.618 174.674 176.094 0.331 0.000 1.020 101 V CA -2.159 60.378 62.300 0.395 0.000 0.850 101 V CB 1.655 33.773 31.823 0.492 0.000 0.987 101 V HN 0.249 nan 8.190 nan 0.000 0.436 102 P HA 0.103 nan 4.420 nan 0.000 0.269 102 P C -0.453 176.979 177.300 0.220 0.000 1.215 102 P CA 0.055 63.301 63.100 0.244 0.000 0.780 102 P CB 1.047 32.857 31.700 0.184 0.000 0.898 103 S N 1.635 117.465 115.700 0.215 0.000 2.473 103 S HA 0.591 5.060 4.470 -0.001 0.000 0.307 103 S C -2.378 172.313 174.600 0.152 0.000 1.094 103 S CA -1.533 56.774 58.200 0.178 0.000 1.070 103 S CB -0.203 63.100 63.200 0.172 0.000 1.019 103 S HN 0.218 nan 8.310 nan 0.000 0.480 104 P HA 0.221 nan 4.420 nan 0.000 0.270 104 P C -0.618 176.756 177.300 0.124 0.000 1.223 104 P CA -0.508 62.658 63.100 0.111 0.000 0.785 104 P CB 0.347 32.098 31.700 0.085 0.000 0.923 105 R N 3.267 123.846 120.500 0.133 0.000 2.480 105 R HA 0.052 4.391 4.340 -0.001 0.000 0.303 105 R C -1.825 174.541 176.300 0.109 0.000 0.985 105 R CA -0.930 55.257 56.100 0.146 0.000 1.051 105 R CB -0.225 30.164 30.300 0.148 0.000 0.935 105 R HN 0.401 nan 8.270 nan 0.000 0.410 106 P HA 0.064 nan 4.420 nan 0.000 0.274 106 P C -0.563 176.773 177.300 0.060 0.000 1.260 106 P CA -0.289 62.858 63.100 0.078 0.000 0.793 106 P CB 0.782 32.530 31.700 0.081 0.000 1.048 107 K N -0.760 119.663 120.400 0.038 0.000 2.262 107 K HA 0.139 4.459 4.320 -0.001 0.000 0.200 107 K C 0.760 177.361 176.600 0.002 0.000 1.058 107 K CA 0.792 57.090 56.287 0.018 0.000 0.974 107 K CB -0.260 32.246 32.500 0.010 0.000 0.910 107 K HN 0.424 nan 8.250 nan 0.000 0.484 108 S N 0.960 116.663 115.700 0.005 0.000 2.548 108 S HA 0.166 4.635 4.470 -0.001 0.000 0.168 108 S C -1.133 173.468 174.600 0.002 0.000 1.068 108 S CA -0.369 57.826 58.200 -0.008 0.000 1.129 108 S CB 0.412 63.596 63.200 -0.026 0.000 1.435 108 S HN 0.145 nan 8.310 nan 0.000 0.410 109 T N 1.975 116.540 114.554 0.019 0.000 2.949 109 T HA 0.615 4.964 4.350 -0.001 0.000 0.287 109 T C 0.083 174.795 174.700 0.020 0.000 1.034 109 T CA -0.098 62.014 62.100 0.020 0.000 1.018 109 T CB 1.265 70.155 68.868 0.037 0.000 1.135 109 T HN 0.461 nan 8.240 nan 0.000 0.532 110 T N 2.192 116.751 114.554 0.009 0.000 2.934 110 T HA 0.324 4.673 4.350 -0.001 0.000 0.306 110 T C -0.248 174.472 174.700 0.033 0.000 1.042 110 T CA -0.204 61.898 62.100 0.004 0.000 1.145 110 T CB 0.227 69.082 68.868 -0.022 0.000 0.982 110 T HN 0.411 nan 8.240 nan 0.000 0.544 111 V N 4.708 124.648 119.914 0.043 0.000 2.555 111 V HA 0.540 4.659 4.120 -0.001 0.000 0.302 111 V C -0.061 176.088 176.094 0.091 0.000 1.038 111 V CA -0.793 61.557 62.300 0.083 0.000 0.887 111 V CB 1.761 33.640 31.823 0.093 0.000 0.991 111 V HN 0.837 nan 8.190 nan 0.000 0.434 112 M N 4.271 123.953 119.600 0.136 0.000 2.204 112 M HA 0.534 5.013 4.480 -0.001 0.000 0.293 112 M C -1.360 175.186 176.300 0.411 0.000 0.994 112 M CA -0.607 54.794 55.300 0.169 0.000 0.925 112 M CB 2.292 34.851 32.600 -0.069 0.000 1.577 112 M HN 0.353 nan 8.290 nan 0.000 0.439 113 V N 3.124 123.319 119.914 0.468 0.000 2.328 113 V HA 0.304 4.423 4.120 -0.001 0.000 0.278 113 V C -0.646 175.738 176.094 0.483 0.000 1.021 113 V CA -0.602 61.951 62.300 0.422 0.000 0.838 113 V CB 1.220 33.161 31.823 0.196 0.000 0.999 113 V HN 0.863 nan 8.190 nan 0.000 0.447 114 W N 6.983 128.388 121.300 0.174 0.000 2.287 114 W HA 0.593 5.253 4.660 -0.001 0.000 0.313 114 W C -1.215 175.190 176.519 -0.191 0.000 1.267 114 W CA -0.649 56.507 57.345 -0.315 0.000 1.201 114 W CB 1.043 30.379 29.460 -0.207 0.000 1.196 114 W HN 0.439 nan 8.180 nan 0.000 0.536 115 I N 9.320 129.182 120.570 -1.180 0.000 2.420 115 I HA 0.051 4.220 4.170 -0.001 0.000 0.282 115 I C -0.278 175.023 176.117 -1.361 0.000 1.019 115 I CA -1.109 59.612 61.300 -0.965 0.000 1.130 115 I CB 0.657 38.293 38.000 -0.607 0.000 1.262 115 I HN 0.299 nan 8.210 nan 0.000 0.454 116 Y N 4.620 124.405 120.300 -0.858 0.000 2.550 116 Y HA 0.606 5.156 4.550 -0.001 0.000 0.343 116 Y C 0.773 176.522 175.900 -0.251 0.000 1.245 116 Y CA -0.727 57.048 58.100 -0.541 0.000 1.462 116 Y CB -0.106 38.325 38.460 -0.047 0.000 1.340 116 Y HN 0.511 nan 8.280 nan 0.000 0.604 117 G N -0.682 108.181 108.800 0.105 0.000 2.606 117 G HA2 0.491 4.451 3.960 -0.001 0.000 0.262 117 G HA3 0.491 4.451 3.960 -0.001 0.000 0.262 117 G C 0.323 175.190 174.900 -0.055 0.000 1.394 117 G CA -0.922 44.158 45.100 -0.034 0.000 1.044 117 G HN 1.755 nan 8.290 nan 0.000 0.553 118 G N -2.808 105.809 108.800 -0.305 0.000 2.165 118 G HA2 0.392 4.352 3.960 -0.001 0.000 0.144 118 G HA3 0.392 4.352 3.960 -0.001 0.000 0.144 118 G C 1.080 175.477 174.900 -0.839 0.000 1.049 118 G CA 0.697 45.477 45.100 -0.533 0.000 0.741 118 G HN 2.329 nan 8.290 nan 0.000 0.493 119 G N -0.527 107.796 108.800 -0.794 0.000 2.233 119 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.270 119 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.270 119 G C 0.951 175.675 174.900 -0.295 0.000 1.011 119 G CA 0.909 45.386 45.100 -1.038 0.000 0.762 119 G HN 1.795 nan 8.290 nan 0.000 0.511 120 F N -3.616 116.271 119.950 -0.105 0.000 2.825 120 F HA -0.328 4.198 4.527 -0.001 0.000 0.358 120 F C 1.506 177.415 175.800 0.180 0.000 0.639 120 F CA 2.199 60.238 58.000 0.065 0.000 1.153 120 F CB -2.062 36.813 39.000 -0.207 0.000 1.610 120 F HN 0.870 nan 8.300 nan 0.000 0.305 121 Y N -0.621 119.758 120.300 0.131 0.000 2.481 121 Y HA 0.656 5.205 4.550 -0.001 0.000 0.247 121 Y C 0.631 176.615 175.900 0.139 0.000 1.151 121 Y CA 0.284 58.471 58.100 0.145 0.000 1.238 121 Y CB 0.083 38.543 38.460 -0.000 0.000 1.179 121 Y HN 0.124 nan 8.280 nan 0.000 0.524 122 S N -0.950 114.467 115.700 -0.472 0.000 2.661 122 S HA 0.851 5.320 4.470 -0.001 0.000 0.268 122 S C -0.316 174.090 174.600 -0.324 0.000 1.162 122 S CA -0.452 57.525 58.200 -0.371 0.000 0.817 122 S CB 1.339 64.236 63.200 -0.505 0.000 1.141 122 S HN 1.311 nan 8.310 nan 0.000 0.477 123 G N -0.335 108.256 108.800 -0.348 0.000 2.402 123 G HA2 0.441 4.400 3.960 -0.001 0.000 0.666 123 G HA3 0.441 4.400 3.960 -0.001 0.000 0.666 123 G C -1.108 173.172 174.900 -1.033 0.000 1.402 123 G CA -0.282 44.477 45.100 -0.567 0.000 0.920 123 G HN 1.439 nan 8.290 nan 0.000 0.651 124 S N -0.879 114.215 115.700 -1.011 0.000 2.536 124 S HA 0.657 5.126 4.470 -0.001 0.000 0.271 124 S C 0.899 175.330 174.600 -0.282 0.000 1.134 124 S CA 0.093 57.870 58.200 -0.706 0.000 0.897 124 S CB 1.795 64.792 63.200 -0.337 0.000 1.094 124 S HN 1.929 nan 8.310 nan 0.000 0.473 125 S N 0.060 115.771 115.700 0.019 0.000 2.562 125 S HA -0.057 4.413 4.470 -0.001 0.000 0.221 125 S C 1.420 176.113 174.600 0.154 0.000 0.975 125 S CA 0.848 59.282 58.200 0.390 0.000 0.918 125 S CB -0.612 62.869 63.200 0.468 0.000 0.772 125 S HN 0.840 nan 8.310 nan 0.000 0.531 126 T N 0.211 114.641 114.554 -0.207 0.000 3.107 126 T HA 0.386 4.735 4.350 -0.001 0.000 0.249 126 T C 0.560 175.008 174.700 -0.419 0.000 1.096 126 T CA -0.504 61.158 62.100 -0.730 0.000 1.012 126 T CB -0.614 67.675 68.868 -0.965 0.000 0.977 126 T HN 0.321 nan 8.240 nan 0.000 0.527 127 L N 1.661 122.723 121.223 -0.267 0.000 2.483 127 L HA 0.179 4.519 4.340 -0.001 0.000 0.275 127 L C 1.370 178.040 176.870 -0.332 0.000 1.220 127 L CA -0.371 54.230 54.840 -0.397 0.000 0.833 127 L CB 0.273 41.872 42.059 -0.767 0.000 1.102 127 L HN 0.052 nan 8.230 nan 0.000 0.490 128 D N 0.545 120.753 120.400 -0.319 0.000 2.144 128 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 128 D C 1.902 178.023 176.300 -0.298 0.000 0.984 128 D CA 1.176 55.046 54.000 -0.217 0.000 0.834 128 D CB -0.011 40.673 40.800 -0.194 0.000 0.955 128 D HN 0.489 nan 8.370 nan 0.000 0.465 129 V N -1.298 118.296 119.914 -0.534 0.000 3.305 129 V HA -0.118 4.002 4.120 -0.001 0.000 0.269 129 V C 0.862 176.516 176.094 -0.733 0.000 1.157 129 V CA 0.962 62.921 62.300 -0.568 0.000 1.157 129 V CB -1.036 30.376 31.823 -0.684 0.000 0.772 129 V HN 0.130 nan 8.190 nan 0.000 0.498 130 Y N 0.012 119.835 120.300 -0.795 0.000 2.555 130 Y HA 0.433 4.982 4.550 -0.001 0.000 0.259 130 Y C 1.065 176.595 175.900 -0.617 0.000 1.179 130 Y CA -1.726 55.643 58.100 -1.218 0.000 1.230 130 Y CB -0.900 37.201 38.460 -0.599 0.000 1.146 130 Y HN 0.296 nan 8.280 nan 0.000 0.526 131 N N 1.420 119.984 118.700 -0.227 0.000 2.406 131 N HA 0.020 4.760 4.740 -0.001 0.000 0.274 131 N C 1.310 176.530 175.510 -0.484 0.000 1.249 131 N CA 0.366 53.251 53.050 -0.274 0.000 0.951 131 N CB 0.733 39.146 38.487 -0.124 0.000 1.241 131 N HN 0.400 nan 8.380 nan 0.000 0.485 132 G N 3.012 111.088 108.800 -1.207 0.000 3.061 132 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.208 132 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.208 132 G C 1.318 175.650 174.900 -0.946 0.000 1.175 132 G CA 0.266 44.856 45.100 -0.849 0.000 0.812 132 G HN 0.733 nan 8.290 nan 0.000 0.523 133 K N -0.723 118.930 120.400 -1.245 0.000 2.155 133 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 133 K C 1.570 177.943 176.600 -0.378 0.000 1.052 133 K CA 0.803 56.662 56.287 -0.714 0.000 0.948 133 K CB -0.357 31.791 32.500 -0.588 0.000 0.728 133 K HN 0.303 nan 8.250 nan 0.000 0.448 134 Y N 0.956 121.176 120.300 -0.134 0.000 2.263 134 Y HA -0.052 4.498 4.550 -0.001 0.000 0.292 134 Y C 2.193 178.085 175.900 -0.012 0.000 1.130 134 Y CA 0.376 58.457 58.100 -0.033 0.000 1.179 134 Y CB -0.433 37.983 38.460 -0.073 0.000 0.998 134 Y HN 0.030 nan 8.280 nan 0.000 0.532 135 L N 0.173 121.419 121.223 0.039 0.000 2.072 135 L HA 0.035 4.375 4.340 -0.001 0.000 0.205 135 L C 2.327 179.200 176.870 0.006 0.000 1.079 135 L CA 1.798 56.615 54.840 -0.037 0.000 0.752 135 L CB -1.208 40.737 42.059 -0.191 0.000 0.906 135 L HN 0.119 nan 8.230 nan 0.000 0.436 136 A N -1.337 121.501 122.820 0.031 0.000 1.902 136 A HA -0.288 4.032 4.320 -0.001 0.000 0.217 136 A C 2.302 179.969 177.584 0.140 0.000 1.181 136 A CA 1.946 54.051 52.037 0.113 0.000 0.623 136 A CB -1.121 18.003 19.000 0.207 0.000 0.818 136 A HN 0.610 nan 8.150 nan 0.000 0.443 137 Y N 1.058 121.381 120.300 0.038 0.000 2.153 137 Y HA -0.129 4.421 4.550 -0.001 0.000 0.289 137 Y C 2.661 178.590 175.900 0.048 0.000 1.127 137 Y CA 2.289 60.418 58.100 0.049 0.000 1.131 137 Y CB -0.755 37.724 38.460 0.033 0.000 0.995 137 Y HN 0.289 nan 8.280 nan 0.000 0.505 138 T N 0.511 115.033 114.554 -0.053 0.000 2.708 138 T HA -0.141 4.209 4.350 -0.001 0.000 0.266 138 T C 1.401 176.040 174.700 -0.101 0.000 1.037 138 T CA 1.754 63.776 62.100 -0.131 0.000 1.146 138 T CB -0.171 68.709 68.868 0.021 0.000 0.865 138 T HN 0.296 nan 8.240 nan 0.000 0.435 139 E N 0.418 120.599 120.200 -0.032 0.000 2.479 139 E HA 0.095 4.444 4.350 -0.001 0.000 0.193 139 E C 0.457 177.048 176.600 -0.014 0.000 1.049 139 E CA 0.101 56.498 56.400 -0.005 0.000 0.870 139 E CB 0.015 29.710 29.700 -0.009 0.000 0.944 139 E HN 0.460 nan 8.360 nan 0.000 0.492 140 E N 0.059 120.244 120.200 -0.024 0.000 2.287 140 E HA -0.165 4.185 4.350 -0.001 0.000 0.229 140 E C -0.818 175.803 176.600 0.034 0.000 1.194 140 E CA 0.511 56.913 56.400 0.003 0.000 0.704 140 E CB -1.747 27.947 29.700 -0.009 0.000 1.216 140 E HN 0.117 nan 8.360 nan 0.000 0.381 141 V N -2.744 117.203 119.914 0.055 0.000 3.074 141 V HA 0.827 4.947 4.120 -0.001 0.000 0.314 141 V C 0.256 176.427 176.094 0.130 0.000 1.117 141 V CA -0.755 61.586 62.300 0.068 0.000 1.014 141 V CB 2.463 34.306 31.823 0.033 0.000 1.057 141 V HN 0.026 nan 8.190 nan 0.000 0.438 142 V N 3.847 123.847 119.914 0.143 0.000 2.334 142 V HA 0.313 4.432 4.120 -0.001 0.000 0.267 142 V C -0.001 176.234 176.094 0.236 0.000 1.040 142 V CA -0.376 62.045 62.300 0.203 0.000 0.866 142 V CB 0.929 32.859 31.823 0.177 0.000 1.019 142 V HN 0.756 nan 8.190 nan 0.000 0.468 143 L N 7.302 128.721 121.223 0.327 0.000 2.278 143 L HA 0.524 4.863 4.340 -0.001 0.000 0.287 143 L C -0.352 176.841 176.870 0.538 0.000 1.072 143 L CA 0.421 55.507 54.840 0.410 0.000 0.819 143 L CB 1.516 43.798 42.059 0.372 0.000 1.176 143 L HN 0.381 nan 8.230 nan 0.000 0.435 144 V N 4.065 124.255 119.914 0.460 0.000 2.581 144 V HA 0.562 4.681 4.120 -0.001 0.000 0.303 144 V C 0.011 176.395 176.094 0.484 0.000 1.041 144 V CA -0.609 61.930 62.300 0.398 0.000 0.907 144 V CB 2.119 34.090 31.823 0.246 0.000 0.994 144 V HN 0.901 nan 8.190 nan 0.000 0.442 145 S N 4.563 120.544 115.700 0.469 0.000 2.707 145 S HA 0.744 5.214 4.470 -0.001 0.000 0.303 145 S C -0.789 174.003 174.600 0.320 0.000 1.132 145 S CA -0.791 57.705 58.200 0.493 0.000 1.046 145 S CB 1.247 64.865 63.200 0.697 0.000 1.004 145 S HN 0.687 nan 8.310 nan 0.000 0.483 146 L N 1.399 122.734 121.223 0.186 0.000 2.642 146 L HA 0.976 5.315 4.340 -0.001 0.000 0.229 146 L C 0.202 177.213 176.870 0.235 0.000 1.179 146 L CA -0.509 54.391 54.840 0.100 0.000 0.834 146 L CB -0.133 41.849 42.059 -0.128 0.000 1.515 146 L HN 0.878 nan 8.230 nan 0.000 0.512 147 S N -1.622 114.266 115.700 0.314 0.000 2.556 147 S HA 0.819 5.288 4.470 -0.001 0.000 0.271 147 S C -1.273 173.595 174.600 0.448 0.000 1.135 147 S CA -0.615 57.836 58.200 0.418 0.000 0.858 147 S CB 1.341 64.819 63.200 0.462 0.000 1.114 147 S HN 1.135 nan 8.310 nan 0.000 0.468 148 Y N -1.046 119.375 120.300 0.201 0.000 2.571 148 Y HA 0.712 5.262 4.550 -0.001 0.000 0.341 148 Y C -0.651 175.370 175.900 0.202 0.000 1.076 148 Y CA -1.415 56.785 58.100 0.168 0.000 1.029 148 Y CB 0.867 39.370 38.460 0.073 0.000 1.308 148 Y HN 0.771 nan 8.280 nan 0.000 0.461 149 R N 2.077 122.693 120.500 0.193 0.000 2.449 149 R HA 0.475 4.814 4.340 -0.001 0.000 0.296 149 R C -0.123 176.299 176.300 0.203 0.000 1.047 149 R CA -0.195 55.969 56.100 0.107 0.000 1.018 149 R CB 0.698 31.034 30.300 0.060 0.000 0.962 149 R HN 0.697 nan 8.270 nan 0.000 0.428 150 V N 0.502 120.556 119.914 0.233 0.000 3.267 150 V HA 0.872 4.992 4.120 -0.001 0.000 0.317 150 V C 0.891 177.290 176.094 0.508 0.000 1.131 150 V CA -0.083 62.477 62.300 0.433 0.000 1.031 150 V CB 1.083 33.046 31.823 0.233 0.000 1.159 150 V HN 0.959 nan 8.190 nan 0.000 0.454 151 G N 0.403 109.543 108.800 0.567 0.000 2.575 151 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.267 151 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.267 151 G C 0.980 176.081 174.900 0.335 0.000 1.264 151 G CA 0.960 46.353 45.100 0.488 0.000 0.935 151 G HN 2.135 nan 8.290 nan 0.000 0.568 152 A N -1.305 121.408 122.820 -0.179 0.000 1.969 152 A HA 0.302 4.622 4.320 -0.001 0.000 0.218 152 A C 2.239 179.725 177.584 -0.163 0.000 1.169 152 A CA 2.392 53.967 52.037 -0.770 0.000 0.635 152 A CB -0.481 17.777 19.000 -1.236 0.000 0.810 152 A HN 0.924 nan 8.150 nan 0.000 0.445 153 F N 0.196 120.196 119.950 0.083 0.000 2.161 153 F HA -0.083 4.444 4.527 -0.001 0.000 0.300 153 F C 2.441 178.241 175.800 0.000 0.000 1.089 153 F CA 1.335 59.330 58.000 -0.009 0.000 1.282 153 F CB -0.637 38.310 39.000 -0.088 0.000 1.010 153 F HN 0.296 nan 8.300 nan 0.000 0.485 154 G N -2.595 106.300 108.800 0.159 0.000 2.939 154 G HA2 0.088 4.047 3.960 -0.001 0.000 0.216 154 G HA3 0.088 4.047 3.960 -0.001 0.000 0.216 154 G C 0.625 175.135 174.900 -0.650 0.000 1.125 154 G CA 0.052 45.021 45.100 -0.217 0.000 0.766 154 G HN 0.329 nan 8.290 nan 0.000 0.541 155 F N -0.350 119.704 119.950 0.173 0.000 2.859 155 F HA 0.427 4.954 4.527 -0.001 0.000 0.324 155 F C 0.174 176.045 175.800 0.118 0.000 1.158 155 F CA -1.004 57.078 58.000 0.137 0.000 1.147 155 F CB 0.540 39.642 39.000 0.169 0.000 1.137 155 F HN -0.094 nan 8.300 nan 0.000 0.516 156 L N 2.205 123.465 121.223 0.062 0.000 2.462 156 L HA 0.556 4.896 4.340 -0.001 0.000 0.272 156 L C 0.130 176.993 176.870 -0.013 0.000 1.166 156 L CA 0.106 54.876 54.840 -0.118 0.000 0.880 156 L CB 0.306 41.995 42.059 -0.618 0.000 1.142 156 L HN 0.158 nan 8.230 nan 0.000 0.473 157 A N 6.816 129.672 122.820 0.060 0.000 2.335 157 A HA 0.718 5.038 4.320 -0.001 0.000 0.304 157 A C -0.942 176.662 177.584 0.033 0.000 1.118 157 A CA -0.484 51.586 52.037 0.056 0.000 0.757 157 A CB 0.757 19.814 19.000 0.096 0.000 1.188 157 A HN 0.708 nan 8.150 nan 0.000 0.460 158 L N 3.463 124.704 121.223 0.030 0.000 2.480 158 L HA 0.217 4.557 4.340 -0.001 0.000 0.253 158 L C -0.314 176.601 176.870 0.075 0.000 1.324 158 L CA -0.753 54.105 54.840 0.030 0.000 0.916 158 L CB 0.761 42.805 42.059 -0.024 0.000 1.160 158 L HN 0.913 nan 8.230 nan 0.000 0.503 159 H N 1.832 120.906 119.070 0.006 0.000 3.167 159 H HA 0.244 4.799 4.556 -0.001 0.000 0.306 159 H C 1.142 176.477 175.328 0.011 0.000 0.965 159 H CA 1.708 57.765 56.048 0.015 0.000 1.408 159 H CB 0.713 30.487 29.762 0.020 0.000 1.406 159 H HN 0.727 nan 8.280 nan 0.000 0.576 160 G N 2.725 111.301 108.800 -0.374 0.000 2.278 160 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.210 160 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.210 160 G C 0.373 175.198 174.900 -0.125 0.000 1.000 160 G CA 0.150 45.078 45.100 -0.287 0.000 0.635 160 G HN 0.879 nan 8.290 nan 0.000 0.495 161 S N 0.097 115.757 115.700 -0.067 0.000 2.554 161 S HA 0.602 5.072 4.470 -0.001 0.000 0.278 161 S C 0.999 175.595 174.600 -0.006 0.000 1.242 161 S CA -0.104 58.080 58.200 -0.027 0.000 1.051 161 S CB 1.448 64.640 63.200 -0.013 0.000 0.986 161 S HN 0.191 nan 8.310 nan 0.000 0.502 162 Q N 1.925 121.728 119.800 0.004 0.000 2.319 162 Q HA 0.187 4.527 4.340 -0.001 0.000 0.202 162 Q C 0.722 176.745 176.000 0.038 0.000 0.896 162 Q CA 0.267 56.082 55.803 0.020 0.000 0.942 162 Q CB 0.320 29.067 28.738 0.015 0.000 1.083 162 Q HN 0.691 nan 8.270 nan 0.000 0.510 163 E N 0.179 120.404 120.200 0.042 0.000 2.276 163 E HA 0.152 4.501 4.350 -0.001 0.000 0.193 163 E C 0.140 176.799 176.600 0.099 0.000 0.983 163 E CA 0.339 56.781 56.400 0.071 0.000 0.861 163 E CB 0.752 30.496 29.700 0.072 0.000 0.817 163 E HN 0.113 nan 8.360 nan 0.000 0.485 164 A N 1.771 124.625 122.820 0.057 0.000 3.277 164 A HA 0.283 4.602 4.320 -0.001 0.000 0.281 164 A C -2.184 175.416 177.584 0.025 0.000 1.179 164 A CA -0.793 51.268 52.037 0.040 0.000 0.879 164 A CB 0.703 19.649 19.000 -0.089 0.000 1.374 164 A HN -0.131 nan 8.150 nan 0.000 0.590 165 P HA 0.198 nan 4.420 nan 0.000 0.224 165 P C 0.899 178.259 177.300 0.099 0.000 1.157 165 P CA 1.702 64.853 63.100 0.084 0.000 0.799 165 P CB 0.357 32.110 31.700 0.088 0.000 0.809 166 G N 0.444 109.285 108.800 0.069 0.000 2.612 166 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.686 166 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.686 166 G C -0.200 174.722 174.900 0.036 0.000 1.274 166 G CA -0.271 44.874 45.100 0.074 0.000 0.849 166 G HN 0.097 nan 8.290 nan 0.000 0.595 167 N N -2.452 116.271 118.700 0.038 0.000 2.778 167 N HA -0.278 4.462 4.740 -0.001 0.000 0.249 167 N C 1.899 177.277 175.510 -0.220 0.000 1.069 167 N CA 2.506 55.504 53.050 -0.087 0.000 0.831 167 N CB -1.672 36.687 38.487 -0.214 0.000 1.142 167 N HN 1.914 nan 8.380 nan 0.000 0.573 168 V N -2.802 116.982 119.914 -0.215 0.000 2.759 168 V HA 0.035 4.155 4.120 -0.001 0.000 0.256 168 V C 2.251 178.215 176.094 -0.217 0.000 1.080 168 V CA 2.230 64.441 62.300 -0.148 0.000 1.101 168 V CB -0.806 30.978 31.823 -0.066 0.000 0.698 168 V HN 0.283 nan 8.190 nan 0.000 0.477 169 G N 0.272 108.724 108.800 -0.579 0.000 2.421 169 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.217 169 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.217 169 G C 1.518 176.376 174.900 -0.071 0.000 1.143 169 G CA 0.949 45.805 45.100 -0.406 0.000 0.784 169 G HN 0.527 nan 8.290 nan 0.000 0.541 170 L N -0.114 121.031 121.223 -0.129 0.000 2.179 170 L HA 0.138 4.478 4.340 -0.001 0.000 0.208 170 L C 2.748 179.684 176.870 0.109 0.000 1.096 170 L CA 0.291 55.073 54.840 -0.097 0.000 0.779 170 L CB -0.218 41.503 42.059 -0.563 0.000 0.922 170 L HN 0.171 nan 8.230 nan 0.000 0.443 171 L N -0.593 120.682 121.223 0.086 0.000 2.141 171 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 171 L C 2.044 179.010 176.870 0.160 0.000 1.094 171 L CA 0.756 55.708 54.840 0.187 0.000 0.763 171 L CB -0.570 41.573 42.059 0.139 0.000 0.908 171 L HN 0.258 nan 8.230 nan 0.000 0.437 172 D N 0.031 120.521 120.400 0.150 0.000 2.117 172 D HA -0.192 4.447 4.640 -0.001 0.000 0.197 172 D C 2.307 178.709 176.300 0.170 0.000 0.987 172 D CA 1.149 55.305 54.000 0.260 0.000 0.829 172 D CB -0.127 40.855 40.800 0.303 0.000 0.961 172 D HN 0.376 nan 8.370 nan 0.000 0.460 173 Q N 0.004 119.850 119.800 0.077 0.000 2.124 173 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 173 Q C 2.250 178.167 176.000 -0.138 0.000 0.977 173 Q CA 0.876 56.639 55.803 -0.067 0.000 0.850 173 Q CB -0.032 28.701 28.738 -0.009 0.000 0.901 173 Q HN 0.202 nan 8.270 nan 0.000 0.429 174 R N 0.691 121.186 120.500 -0.009 0.000 2.096 174 R HA -0.103 4.237 4.340 -0.001 0.000 0.235 174 R C 2.141 178.426 176.300 -0.024 0.000 1.127 174 R CA 1.297 57.370 56.100 -0.044 0.000 0.968 174 R CB -0.120 30.243 30.300 0.105 0.000 0.861 174 R HN 0.274 nan 8.270 nan 0.000 0.440 175 M N -0.154 119.467 119.600 0.034 0.000 2.319 175 M HA -0.035 4.445 4.480 -0.001 0.000 0.265 175 M C 1.960 178.260 176.300 -0.000 0.000 1.068 175 M CA 1.613 56.974 55.300 0.102 0.000 1.118 175 M CB 0.095 32.846 32.600 0.251 0.000 1.395 175 M HN 0.298 nan 8.290 nan 0.000 0.435 176 A N 0.312 122.899 122.820 -0.389 0.000 1.929 176 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 176 A C 1.947 179.427 177.584 -0.172 0.000 1.176 176 A CA 1.027 52.638 52.037 -0.711 0.000 0.628 176 A CB -0.762 17.522 19.000 -1.194 0.000 0.816 176 A HN 0.545 nan 8.150 nan 0.000 0.444 177 L N -0.964 120.178 121.223 -0.135 0.000 2.093 177 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 177 L C 2.808 179.722 176.870 0.073 0.000 1.085 177 L CA 1.623 56.445 54.840 -0.031 0.000 0.755 177 L CB -0.348 41.649 42.059 -0.102 0.000 0.904 177 L HN 0.490 nan 8.230 nan 0.000 0.435 178 Q N -0.553 119.289 119.800 0.071 0.000 2.172 178 Q HA -0.239 4.101 4.340 -0.001 0.000 0.200 178 Q C 1.969 178.085 176.000 0.193 0.000 0.964 178 Q CA 1.617 57.485 55.803 0.108 0.000 0.855 178 Q CB -0.340 28.448 28.738 0.083 0.000 0.918 178 Q HN 0.484 nan 8.270 nan 0.000 0.444 179 W N -0.995 120.329 121.300 0.040 0.000 2.436 179 W HA -0.049 4.611 4.660 -0.001 0.000 0.284 179 W C 1.606 178.170 176.519 0.075 0.000 1.225 179 W CA 1.148 58.537 57.345 0.075 0.000 1.271 179 W CB 0.135 29.645 29.460 0.082 0.000 1.114 179 W HN -0.021 nan 8.180 nan 0.000 0.559 180 V N -0.052 120.059 119.914 0.328 0.000 2.358 180 V HA -0.336 3.783 4.120 -0.001 0.000 0.246 180 V C 2.520 178.657 176.094 0.072 0.000 1.047 180 V CA 2.278 64.706 62.300 0.213 0.000 1.035 180 V CB -1.179 30.758 31.823 0.189 0.000 0.658 180 V HN 0.336 nan 8.190 nan 0.000 0.452 181 H N 0.278 119.349 119.070 0.002 0.000 2.353 181 H HA -0.164 4.391 4.556 -0.001 0.000 0.300 181 H C 1.886 177.151 175.328 -0.104 0.000 1.090 181 H CA 2.020 58.046 56.048 -0.037 0.000 1.327 181 H CB 0.097 29.848 29.762 -0.017 0.000 1.383 181 H HN 0.412 nan 8.280 nan 0.000 0.508 182 D N -0.134 120.208 120.400 -0.096 0.000 2.162 182 D HA -0.053 4.587 4.640 -0.001 0.000 0.203 182 D C 1.433 177.544 176.300 -0.314 0.000 0.967 182 D CA 0.754 54.631 54.000 -0.205 0.000 0.840 182 D CB -0.054 40.667 40.800 -0.132 0.000 0.972 182 D HN 0.515 nan 8.370 nan 0.000 0.482 183 N N -0.170 118.270 118.700 -0.434 0.000 2.210 183 N HA 0.030 4.769 4.740 -0.001 0.000 0.203 183 N C 1.481 176.927 175.510 -0.105 0.000 1.175 183 N CA -0.154 52.686 53.050 -0.351 0.000 0.894 183 N CB 1.066 39.015 38.487 -0.896 0.000 1.041 183 N HN -0.007 nan 8.380 nan 0.000 0.506 184 I N 3.306 123.822 120.570 -0.090 0.000 2.530 184 I HA -0.286 3.884 4.170 -0.001 0.000 0.257 184 I C 2.598 178.734 176.117 0.032 0.000 1.179 184 I CA 1.383 62.735 61.300 0.085 0.000 1.440 184 I CB -0.238 37.791 38.000 0.048 0.000 1.087 184 I HN 0.206 nan 8.210 nan 0.000 0.440 185 Q N -0.789 118.857 119.800 -0.256 0.000 2.124 185 Q HA -0.244 4.095 4.340 -0.001 0.000 0.202 185 Q C 2.010 177.803 176.000 -0.345 0.000 0.977 185 Q CA 1.805 57.383 55.803 -0.376 0.000 0.850 185 Q CB -0.975 27.386 28.738 -0.629 0.000 0.901 185 Q HN 0.414 nan 8.270 nan 0.000 0.429 186 F N 0.017 119.910 119.950 -0.095 0.000 2.451 186 F HA 0.031 4.558 4.527 -0.001 0.000 0.299 186 F C 1.049 176.628 175.800 -0.368 0.000 1.101 186 F CA 0.462 58.307 58.000 -0.258 0.000 1.436 186 F CB -0.196 38.566 39.000 -0.396 0.000 1.074 186 F HN 0.006 nan 8.300 nan 0.000 0.553 187 F N -0.547 119.410 119.950 0.013 0.000 2.693 187 F HA 0.409 4.935 4.527 -0.001 0.000 0.303 187 F C 1.766 177.579 175.800 0.021 0.000 1.097 187 F CA 0.299 58.285 58.000 -0.023 0.000 1.330 187 F CB -0.104 38.859 39.000 -0.062 0.000 1.067 187 F HN 0.033 nan 8.300 nan 0.000 0.565 188 G N 0.310 109.185 108.800 0.124 0.000 2.141 188 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.242 188 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.242 188 G C 0.567 175.511 174.900 0.074 0.000 0.982 188 G CA -0.230 44.921 45.100 0.084 0.000 0.662 188 G HN 0.727 nan 8.290 nan 0.000 0.527 189 G N -0.597 108.250 108.800 0.080 0.000 2.425 189 G HA2 0.504 4.463 3.960 -0.001 0.000 0.302 189 G HA3 0.504 4.463 3.960 -0.001 0.000 0.302 189 G C -0.820 174.075 174.900 -0.009 0.000 1.159 189 G CA 0.163 45.296 45.100 0.055 0.000 0.865 189 G HN 0.225 nan 8.290 nan 0.000 0.515 190 D N 1.349 121.744 120.400 -0.008 0.000 2.359 190 D HA 0.337 4.976 4.640 -0.001 0.000 0.230 190 D C -1.481 174.796 176.300 -0.038 0.000 1.118 190 D CA -2.310 51.668 54.000 -0.037 0.000 0.844 190 D CB 1.947 42.731 40.800 -0.026 0.000 1.059 190 D HN -0.030 nan 8.370 nan 0.000 0.493 191 P HA -0.063 nan 4.420 nan 0.000 0.222 191 P C 0.647 177.932 177.300 -0.024 0.000 1.147 191 P CA 0.990 64.039 63.100 -0.085 0.000 0.790 191 P CB 0.292 31.852 31.700 -0.233 0.000 0.780 192 K N -1.529 118.849 120.400 -0.036 0.000 2.365 192 K HA 0.081 4.400 4.320 -0.001 0.000 0.197 192 K C 0.179 176.772 176.600 -0.011 0.000 1.042 192 K CA 0.902 57.178 56.287 -0.019 0.000 0.987 192 K CB -0.112 32.367 32.500 -0.036 0.000 0.779 192 K HN 0.065 nan 8.250 nan 0.000 0.484 193 T N 1.606 116.156 114.554 -0.007 0.000 3.466 193 T HA 0.240 4.589 4.350 -0.001 0.000 0.297 193 T C -0.741 173.973 174.700 0.023 0.000 1.640 193 T CA -0.415 61.680 62.100 -0.008 0.000 1.631 193 T CB 0.776 69.625 68.868 -0.031 0.000 0.928 193 T HN -0.243 nan 8.240 nan 0.000 0.688 194 V N 2.355 122.309 119.914 0.067 0.000 2.347 194 V HA 0.439 4.559 4.120 -0.001 0.000 0.280 194 V C 0.344 176.535 176.094 0.163 0.000 1.021 194 V CA -0.528 61.842 62.300 0.117 0.000 0.847 194 V CB 1.553 33.470 31.823 0.156 0.000 0.990 194 V HN 0.582 nan 8.190 nan 0.000 0.444 195 T N 6.693 121.327 114.554 0.134 0.000 2.758 195 T HA 0.570 4.919 4.350 -0.001 0.000 0.285 195 T C -0.066 174.756 174.700 0.203 0.000 0.981 195 T CA -0.140 62.055 62.100 0.158 0.000 0.965 195 T CB 0.739 69.656 68.868 0.081 0.000 0.927 195 T HN 0.632 nan 8.240 nan 0.000 0.448 196 I N 2.144 122.814 120.570 0.166 0.000 2.331 196 I HA 0.811 4.981 4.170 -0.001 0.000 0.292 196 I C -0.879 175.406 176.117 0.281 0.000 0.998 196 I CA -0.924 60.458 61.300 0.136 0.000 1.267 196 I CB 0.623 38.486 38.000 -0.227 0.000 1.386 196 I HN 0.431 nan 8.210 nan 0.000 0.476 197 F N 3.791 123.780 119.950 0.065 0.000 2.588 197 F HA 1.020 5.547 4.527 -0.001 0.000 0.310 197 F C -0.346 175.446 175.800 -0.012 0.000 1.082 197 F CA -1.570 56.505 58.000 0.126 0.000 0.929 197 F CB 1.320 40.513 39.000 0.322 0.000 1.254 197 F HN 0.781 nan 8.300 nan 0.000 0.455 198 G N 1.106 109.781 108.800 -0.208 0.000 2.660 198 G HA2 0.496 4.456 3.960 -0.001 0.000 0.290 198 G HA3 0.496 4.456 3.960 -0.001 0.000 0.290 198 G C -2.440 172.277 174.900 -0.305 0.000 1.432 198 G CA -0.802 43.812 45.100 -0.810 0.000 0.807 198 G HN 0.843 nan 8.290 nan 0.000 0.485 199 E N 0.308 120.298 120.200 -0.351 0.000 2.212 199 E HA 0.603 4.953 4.350 -0.001 0.000 0.268 199 E C 0.739 177.317 176.600 -0.037 0.000 0.902 199 E CA 0.256 56.677 56.400 0.036 0.000 0.779 199 E CB 2.059 31.947 29.700 0.314 0.000 1.172 199 E HN 0.762 nan 8.360 nan 0.000 0.409 200 S N 3.077 118.812 115.700 0.057 0.000 4.150 200 S HA -0.410 4.060 4.470 -0.001 0.000 0.575 200 S C 1.520 176.234 174.600 0.189 0.000 1.878 200 S CA 2.435 60.748 58.200 0.189 0.000 4.245 200 S CB -1.612 61.661 63.200 0.122 0.000 0.231 200 S HN 0.941 nan 8.310 nan 0.000 0.469 201 A N 1.078 123.899 122.820 0.003 0.000 1.978 201 A HA 0.158 4.477 4.320 -0.001 0.000 0.220 201 A C 2.452 179.803 177.584 -0.387 0.000 1.170 201 A CA 2.410 54.243 52.037 -0.340 0.000 0.636 201 A CB -1.489 16.994 19.000 -0.863 0.000 0.810 201 A HN 1.530 nan 8.150 nan 0.000 0.448 202 G N -0.825 107.801 108.800 -0.291 0.000 2.421 202 G HA2 0.115 4.075 3.960 -0.001 0.000 0.217 202 G HA3 0.115 4.075 3.960 -0.001 0.000 0.217 202 G C 1.429 176.154 174.900 -0.292 0.000 1.143 202 G CA 1.082 45.955 45.100 -0.379 0.000 0.784 202 G HN 0.661 nan 8.290 nan 0.000 0.541 203 G N 0.830 109.526 108.800 -0.173 0.000 2.421 203 G HA2 0.158 4.117 3.960 -0.001 0.000 0.217 203 G HA3 0.158 4.117 3.960 -0.001 0.000 0.217 203 G C 1.931 176.739 174.900 -0.153 0.000 1.143 203 G CA 1.312 46.343 45.100 -0.114 0.000 0.784 203 G HN 0.563 nan 8.290 nan 0.000 0.541 204 A N 0.816 123.565 122.820 -0.118 0.000 1.929 204 A HA 0.098 4.418 4.320 -0.001 0.000 0.216 204 A C 2.668 180.177 177.584 -0.125 0.000 1.176 204 A CA 2.013 53.956 52.037 -0.156 0.000 0.628 204 A CB -0.496 18.449 19.000 -0.092 0.000 0.816 204 A HN 0.270 nan 8.150 nan 0.000 0.444 205 S N -0.241 115.402 115.700 -0.095 0.000 2.356 205 S HA -0.146 4.324 4.470 -0.001 0.000 0.223 205 S C 1.913 176.373 174.600 -0.234 0.000 1.032 205 S CA 1.478 59.574 58.200 -0.172 0.000 1.005 205 S CB -0.505 62.555 63.200 -0.234 0.000 0.867 205 S HN 0.342 nan 8.310 nan 0.000 0.449 206 V N 1.634 121.449 119.914 -0.164 0.000 2.287 206 V HA -0.187 3.932 4.120 -0.001 0.000 0.248 206 V C 2.608 178.634 176.094 -0.112 0.000 1.053 206 V CA 2.045 64.270 62.300 -0.126 0.000 1.027 206 V CB -1.458 30.285 31.823 -0.134 0.000 0.646 206 V HN 0.605 nan 8.190 nan 0.000 0.447 207 G N -1.139 107.543 108.800 -0.197 0.000 2.422 207 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.218 207 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.218 207 G C 1.584 176.452 174.900 -0.053 0.000 1.140 207 G CA 0.808 45.757 45.100 -0.252 0.000 0.775 207 G HN 0.454 nan 8.290 nan 0.000 0.545 208 M N -0.211 119.368 119.600 -0.035 0.000 2.319 208 M HA 0.045 4.524 4.480 -0.001 0.000 0.265 208 M C 2.162 178.584 176.300 0.203 0.000 1.068 208 M CA 0.766 56.178 55.300 0.187 0.000 1.118 208 M CB -0.150 32.559 32.600 0.182 0.000 1.395 208 M HN 0.163 nan 8.290 nan 0.000 0.435 209 H N -0.224 118.960 119.070 0.189 0.000 2.470 209 H HA 0.103 4.658 4.556 -0.001 0.000 0.289 209 H C 2.043 177.568 175.328 0.328 0.000 1.033 209 H CA 1.095 57.250 56.048 0.178 0.000 1.331 209 H CB -0.069 29.678 29.762 -0.025 0.000 1.414 209 H HN 0.402 nan 8.280 nan 0.000 0.545 210 I N 0.296 121.125 120.570 0.432 0.000 2.439 210 I HA -0.203 3.967 4.170 -0.001 0.000 0.251 210 I C 2.079 178.448 176.117 0.420 0.000 1.139 210 I CA 0.761 62.366 61.300 0.509 0.000 1.438 210 I CB 0.006 38.247 38.000 0.402 0.000 1.085 210 I HN 0.115 nan 8.210 nan 0.000 0.427 211 L N -0.624 120.814 121.223 0.357 0.000 2.127 211 L HA -0.019 4.320 4.340 -0.001 0.000 0.203 211 L C 1.524 178.531 176.870 0.228 0.000 1.080 211 L CA 0.298 55.350 54.840 0.355 0.000 0.768 211 L CB -0.266 42.024 42.059 0.386 0.000 0.924 211 L HN 0.058 nan 8.230 nan 0.000 0.444 212 S N 1.195 116.962 115.700 0.111 0.000 2.465 212 S HA 0.099 4.568 4.470 -0.001 0.000 0.280 212 S C -1.233 173.280 174.600 -0.145 0.000 1.232 212 S CA -1.433 56.648 58.200 -0.199 0.000 1.066 212 S CB 0.676 63.381 63.200 -0.825 0.000 0.929 212 S HN 0.017 nan 8.310 nan 0.000 0.494 213 P HA -0.040 nan 4.420 nan 0.000 0.219 213 P C 1.289 178.509 177.300 -0.133 0.000 1.146 213 P CA 1.083 64.124 63.100 -0.098 0.000 0.808 213 P CB -0.222 31.427 31.700 -0.085 0.000 0.779 214 G N -0.778 107.891 108.800 -0.218 0.000 2.848 214 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.208 214 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.208 214 G C 1.270 176.078 174.900 -0.153 0.000 1.152 214 G CA 0.291 45.274 45.100 -0.196 0.000 0.789 214 G HN 0.261 nan 8.290 nan 0.000 0.531 215 S N -0.729 114.906 115.700 -0.109 0.000 2.593 215 S HA 0.134 4.603 4.470 -0.001 0.000 0.235 215 S C 2.086 176.775 174.600 0.148 0.000 1.059 215 S CA -0.523 57.702 58.200 0.042 0.000 0.953 215 S CB 0.323 63.637 63.200 0.191 0.000 0.897 215 S HN 0.318 nan 8.310 nan 0.000 0.507 216 R N 2.062 122.589 120.500 0.044 0.000 2.103 216 R HA -0.121 4.219 4.340 -0.001 0.000 0.242 216 R C 0.857 176.931 176.300 -0.377 0.000 1.142 216 R CA 1.782 57.801 56.100 -0.136 0.000 0.960 216 R CB -0.477 29.774 30.300 -0.082 0.000 0.858 216 R HN 0.297 nan 8.270 nan 0.000 0.439 217 D N 0.494 120.760 120.400 -0.224 0.000 2.347 217 D HA -0.044 4.595 4.640 -0.001 0.000 0.215 217 D C 1.595 177.758 176.300 -0.230 0.000 0.976 217 D CA 0.728 54.589 54.000 -0.231 0.000 0.884 217 D CB 0.004 40.697 40.800 -0.178 0.000 0.915 217 D HN 0.243 nan 8.370 nan 0.000 0.526 218 L N -0.269 120.861 121.223 -0.156 0.000 2.610 218 L HA 0.103 4.443 4.340 -0.001 0.000 0.232 218 L C 0.130 177.094 176.870 0.157 0.000 1.149 218 L CA 0.107 54.924 54.840 -0.038 0.000 0.872 218 L CB -0.371 41.699 42.059 0.019 0.000 0.992 218 L HN -0.026 nan 8.230 nan 0.000 0.447 219 F N -4.302 115.644 119.950 -0.006 0.000 2.662 219 F HA 0.619 5.145 4.527 -0.001 0.000 0.312 219 F C 0.444 176.265 175.800 0.034 0.000 1.113 219 F CA -1.393 56.623 58.000 0.026 0.000 0.951 219 F CB 1.190 40.207 39.000 0.027 0.000 1.344 219 F HN -0.428 nan 8.300 nan 0.000 0.462 220 R N 0.904 121.484 120.500 0.133 0.000 2.041 220 R HA 0.448 4.787 4.340 -0.001 0.000 0.221 220 R C 0.215 176.586 176.300 0.118 0.000 1.196 220 R CA 1.111 57.229 56.100 0.030 0.000 0.969 220 R CB 0.087 30.400 30.300 0.022 0.000 0.858 220 R HN 0.818 nan 8.270 nan 0.000 0.444 221 R N -1.369 119.265 120.500 0.224 0.000 2.943 221 R HA 0.771 5.111 4.340 -0.001 0.000 0.246 221 R C -1.298 175.245 176.300 0.406 0.000 1.201 221 R CA -0.678 55.573 56.100 0.252 0.000 1.056 221 R CB 2.002 32.284 30.300 -0.030 0.000 1.243 221 R HN 0.326 nan 8.270 nan 0.000 0.498 222 A N 0.811 123.868 122.820 0.395 0.000 2.574 222 A HA 0.633 4.953 4.320 -0.001 0.000 0.297 222 A C -1.332 176.368 177.584 0.194 0.000 1.062 222 A CA -0.604 51.590 52.037 0.261 0.000 0.686 222 A CB 1.275 20.378 19.000 0.173 0.000 1.285 222 A HN 0.552 nan 8.150 nan 0.000 0.403 223 I N 1.665 122.311 120.570 0.127 0.000 2.466 223 I HA 0.392 4.562 4.170 -0.001 0.000 0.289 223 I C -1.480 174.696 176.117 0.099 0.000 1.026 223 I CA -0.632 60.676 61.300 0.013 0.000 1.078 223 I CB 1.903 39.876 38.000 -0.046 0.000 1.249 223 I HN 0.436 nan 8.210 nan 0.000 0.429 224 L N 6.691 127.943 121.223 0.048 0.000 2.319 224 L HA 0.448 4.787 4.340 -0.001 0.000 0.281 224 L C -0.436 176.526 176.870 0.153 0.000 1.005 224 L CA -0.251 54.620 54.840 0.053 0.000 0.828 224 L CB 1.436 43.460 42.059 -0.060 0.000 1.227 224 L HN 0.492 nan 8.230 nan 0.000 0.415 225 Q N 1.780 121.722 119.800 0.236 0.000 2.347 225 Q HA 0.466 4.806 4.340 -0.001 0.000 0.262 225 Q C 0.140 176.272 176.000 0.220 0.000 0.980 225 Q CA -0.549 55.462 55.803 0.346 0.000 0.867 225 Q CB 1.503 30.546 28.738 0.508 0.000 1.242 225 Q HN 0.650 nan 8.270 nan 0.000 0.453 226 S N 0.943 116.760 115.700 0.195 0.000 3.521 226 S HA -0.190 4.279 4.470 -0.001 0.000 0.362 226 S C 0.048 174.802 174.600 0.256 0.000 1.044 226 S CA 0.625 58.954 58.200 0.214 0.000 1.091 226 S CB -1.126 62.199 63.200 0.207 0.000 0.908 226 S HN 0.930 nan 8.310 nan 0.000 0.473 227 G N -0.731 108.159 108.800 0.150 0.000 2.732 227 G HA2 0.633 4.593 3.960 -0.001 0.000 0.296 227 G HA3 0.633 4.593 3.960 -0.001 0.000 0.296 227 G C -1.291 173.560 174.900 -0.082 0.000 1.448 227 G CA 0.180 45.356 45.100 0.128 0.000 0.911 227 G HN 0.494 nan 8.290 nan 0.000 0.528 228 S N 0.583 116.161 115.700 -0.204 0.000 2.541 228 S HA 0.743 5.212 4.470 -0.001 0.000 0.271 228 S C -1.878 172.433 174.600 -0.482 0.000 1.133 228 S CA -1.161 56.784 58.200 -0.426 0.000 0.876 228 S CB 2.452 65.460 63.200 -0.319 0.000 1.105 228 S HN 0.329 nan 8.310 nan 0.000 0.470 229 P HA -0.076 nan 4.420 nan 0.000 0.220 229 P C 0.538 177.590 177.300 -0.413 0.000 1.148 229 P CA 1.022 63.869 63.100 -0.422 0.000 0.803 229 P CB -0.258 31.231 31.700 -0.353 0.000 0.782 230 N N -0.697 117.791 118.700 -0.353 0.000 2.362 230 N HA -0.011 4.729 4.740 -0.001 0.000 0.204 230 N C -0.119 175.152 175.510 -0.397 0.000 1.166 230 N CA -0.236 52.639 53.050 -0.293 0.000 0.831 230 N CB -1.295 37.134 38.487 -0.096 0.000 1.008 230 N HN 0.010 nan 8.380 nan 0.000 0.472 231 C N 2.908 121.852 119.300 -0.593 0.000 2.653 231 C HA 0.116 4.575 4.460 -0.001 0.000 0.421 231 C C -0.227 174.267 174.990 -0.828 0.000 1.334 231 C CA -0.962 57.560 59.018 -0.825 0.000 1.885 231 C CB 1.086 27.990 27.740 -1.393 0.000 2.645 231 C HN 0.364 nan 8.230 nan 0.000 0.601 232 P HA -0.137 nan 4.420 nan 0.000 0.220 232 P C 1.153 178.268 177.300 -0.309 0.000 1.144 232 P CA 1.894 64.732 63.100 -0.437 0.000 0.800 232 P CB -0.075 31.386 31.700 -0.398 0.000 0.772 233 W N -1.562 119.589 121.300 -0.248 0.000 3.107 233 W HA 0.539 5.199 4.660 -0.001 0.000 0.293 233 W C 1.443 177.993 176.519 0.052 0.000 1.239 233 W CA 0.354 57.635 57.345 -0.108 0.000 1.653 233 W CB -1.125 28.268 29.460 -0.111 0.000 1.068 233 W HN -0.133 nan 8.180 nan 0.000 0.615 234 A N 1.694 124.130 122.820 -0.639 0.000 2.015 234 A HA 0.026 4.346 4.320 -0.001 0.000 0.219 234 A C 1.208 178.568 177.584 -0.374 0.000 1.163 234 A CA 1.675 53.434 52.037 -0.462 0.000 0.646 234 A CB -0.666 17.865 19.000 -0.782 0.000 0.806 234 A HN 0.279 nan 8.150 nan 0.000 0.448 235 S N -2.261 113.231 115.700 -0.347 0.000 2.596 235 S HA 0.635 5.104 4.470 -0.001 0.000 0.270 235 S C -0.787 173.671 174.600 -0.237 0.000 1.155 235 S CA -0.115 57.886 58.200 -0.332 0.000 0.827 235 S CB 1.384 64.332 63.200 -0.421 0.000 1.130 235 S HN 1.361 nan 8.310 nan 0.000 0.467 236 V N -0.938 118.858 119.914 -0.196 0.000 3.130 236 V HA 0.935 5.054 4.120 -0.001 0.000 0.310 236 V C 0.224 176.240 176.094 -0.130 0.000 1.158 236 V CA -0.453 61.758 62.300 -0.147 0.000 1.029 236 V CB 1.135 32.887 31.823 -0.117 0.000 1.057 236 V HN 1.473 nan 8.190 nan 0.000 0.436 237 S N 0.851 116.485 115.700 -0.109 0.000 2.617 237 S HA 0.320 4.790 4.470 -0.001 0.000 0.259 237 S C 1.313 175.867 174.600 -0.077 0.000 1.301 237 S CA 0.062 58.206 58.200 -0.094 0.000 0.984 237 S CB 1.174 64.328 63.200 -0.078 0.000 0.954 237 S HN 2.087 nan 8.310 nan 0.000 0.572 238 V N -1.720 118.145 119.914 -0.083 0.000 2.548 238 V HA 0.075 4.195 4.120 -0.001 0.000 0.249 238 V C 2.520 178.605 176.094 -0.016 0.000 1.055 238 V CA 1.453 63.715 62.300 -0.064 0.000 1.065 238 V CB -1.989 29.752 31.823 -0.136 0.000 0.681 238 V HN 0.984 nan 8.190 nan 0.000 0.462 239 A N 0.743 123.549 122.820 -0.023 0.000 1.873 239 A HA -0.173 4.147 4.320 -0.001 0.000 0.215 239 A C 2.213 179.779 177.584 -0.030 0.000 1.186 239 A CA 1.906 53.934 52.037 -0.015 0.000 0.616 239 A CB -0.631 18.359 19.000 -0.017 0.000 0.823 239 A HN 0.618 nan 8.150 nan 0.000 0.442 240 E N 0.149 120.320 120.200 -0.049 0.000 2.106 240 E HA -0.033 4.317 4.350 -0.001 0.000 0.192 240 E C 1.944 178.504 176.600 -0.068 0.000 0.984 240 E CA 1.535 57.892 56.400 -0.072 0.000 0.806 240 E CB -0.783 28.864 29.700 -0.088 0.000 0.750 240 E HN 0.389 nan 8.360 nan 0.000 0.458 241 G N 0.599 109.372 108.800 -0.044 0.000 2.418 241 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.217 241 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.217 241 G C 1.749 176.656 174.900 0.013 0.000 1.158 241 G CA 0.829 45.923 45.100 -0.010 0.000 0.771 241 G HN 0.315 nan 8.290 nan 0.000 0.545 242 R N 0.130 120.634 120.500 0.007 0.000 2.066 242 R HA 0.034 4.374 4.340 -0.001 0.000 0.232 242 R C 2.573 178.869 176.300 -0.006 0.000 1.131 242 R CA 1.155 57.260 56.100 0.009 0.000 0.955 242 R CB -0.383 29.926 30.300 0.015 0.000 0.851 242 R HN 0.228 nan 8.270 nan 0.000 0.432 243 R N 0.565 121.049 120.500 -0.025 0.000 2.103 243 R HA -0.149 4.191 4.340 -0.001 0.000 0.242 243 R C 2.227 178.499 176.300 -0.047 0.000 1.142 243 R CA 1.947 58.022 56.100 -0.041 0.000 0.960 243 R CB -0.122 30.139 30.300 -0.065 0.000 0.858 243 R HN 0.315 nan 8.270 nan 0.000 0.439 244 R N -0.564 119.899 120.500 -0.062 0.000 2.115 244 R HA -0.039 4.301 4.340 -0.001 0.000 0.230 244 R C 2.273 178.605 176.300 0.053 0.000 1.111 244 R CA 1.130 57.180 56.100 -0.083 0.000 0.976 244 R CB -0.209 29.956 30.300 -0.225 0.000 0.870 244 R HN 0.220 nan 8.270 nan 0.000 0.445 245 A N 0.725 123.601 122.820 0.094 0.000 1.898 245 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 245 A C 2.312 179.906 177.584 0.018 0.000 1.181 245 A CA 1.144 53.237 52.037 0.093 0.000 0.620 245 A CB -0.390 18.616 19.000 0.010 0.000 0.819 245 A HN 0.095 nan 8.150 nan 0.000 0.442 246 V N 0.027 119.942 119.914 0.001 0.000 2.427 246 V HA -0.202 3.918 4.120 -0.001 0.000 0.248 246 V C 2.550 178.644 176.094 -0.001 0.000 1.051 246 V CA 2.290 64.585 62.300 -0.008 0.000 1.048 246 V CB -0.659 31.157 31.823 -0.011 0.000 0.666 246 V HN 0.670 nan 8.190 nan 0.000 0.456 247 E N 0.363 120.564 120.200 0.001 0.000 2.106 247 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 247 E C 1.908 178.523 176.600 0.024 0.000 0.984 247 E CA 1.024 57.423 56.400 0.000 0.000 0.806 247 E CB -0.376 29.309 29.700 -0.025 0.000 0.750 247 E HN 0.443 nan 8.360 nan 0.000 0.458 248 L N -0.355 120.903 121.223 0.058 0.000 2.083 248 L HA 0.042 4.381 4.340 -0.001 0.000 0.209 248 L C 2.094 178.982 176.870 0.029 0.000 1.083 248 L CA 2.228 57.118 54.840 0.083 0.000 0.752 248 L CB -0.870 41.282 42.059 0.155 0.000 0.899 248 L HN 0.233 nan 8.230 nan 0.000 0.433 249 G N -1.188 107.616 108.800 0.006 0.000 2.408 249 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 249 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 249 G C 1.816 176.721 174.900 0.009 0.000 1.150 249 G CA 0.567 45.666 45.100 -0.003 0.000 0.776 249 G HN 0.344 nan 8.290 nan 0.000 0.542 250 R N 0.370 120.877 120.500 0.011 0.000 2.120 250 R HA -0.008 4.332 4.340 -0.001 0.000 0.234 250 R C 2.158 178.470 176.300 0.019 0.000 1.123 250 R CA 1.073 57.181 56.100 0.013 0.000 0.975 250 R CB -0.251 30.054 30.300 0.009 0.000 0.866 250 R HN 0.330 nan 8.270 nan 0.000 0.446 251 N N 0.154 118.869 118.700 0.025 0.000 2.459 251 N HA -0.099 4.640 4.740 -0.001 0.000 0.181 251 N C 0.802 176.333 175.510 0.034 0.000 1.046 251 N CA 0.774 53.844 53.050 0.033 0.000 0.904 251 N CB 0.222 38.736 38.487 0.045 0.000 0.964 251 N HN 0.242 nan 8.380 nan 0.000 0.444 252 L N 0.355 121.594 121.223 0.028 0.000 2.910 252 L HA 0.206 4.546 4.340 -0.001 0.000 0.252 252 L C -0.552 176.332 176.870 0.023 0.000 1.195 252 L CA -0.102 54.754 54.840 0.027 0.000 1.003 252 L CB -0.234 41.839 42.059 0.023 0.000 1.328 252 L HN 0.045 nan 8.230 nan 0.000 0.540 253 N N -1.040 117.673 118.700 0.022 0.000 2.714 253 N HA -0.178 4.561 4.740 -0.001 0.000 0.253 253 N C -0.217 175.306 175.510 0.021 0.000 1.024 253 N CA 0.126 53.189 53.050 0.021 0.000 0.726 253 N CB -1.493 37.007 38.487 0.022 0.000 0.908 253 N HN 0.281 nan 8.380 nan 0.000 0.542 254 c N 0.383 118.994 118.600 0.019 0.000 2.335 254 c HA 0.363 4.933 4.570 -0.001 0.000 0.363 254 c C 1.094 175.198 174.090 0.024 0.000 1.198 254 c CA -0.945 55.397 56.329 0.022 0.000 2.279 254 c CB 1.113 43.632 42.510 0.015 0.000 2.334 254 c HN 0.489 nan 8.230 nan 0.000 0.559 255 N N 1.242 119.961 118.700 0.033 0.000 2.430 255 N HA 0.226 4.966 4.740 -0.001 0.000 0.265 255 N C -0.240 175.282 175.510 0.021 0.000 1.100 255 N CA 0.042 53.109 53.050 0.029 0.000 0.961 255 N CB 0.566 39.077 38.487 0.040 0.000 1.075 255 N HN 0.599 nan 8.380 nan 0.000 0.478 256 L N 2.957 124.188 121.223 0.013 0.000 2.818 256 L HA 0.220 4.560 4.340 -0.001 0.000 0.243 256 L C 1.214 178.087 176.870 0.004 0.000 1.185 256 L CA -0.289 54.555 54.840 0.006 0.000 0.988 256 L CB -0.085 41.976 42.059 0.003 0.000 1.292 256 L HN 0.415 nan 8.230 nan 0.000 0.519 257 N N 0.485 119.189 118.700 0.006 0.000 2.396 257 N HA -0.050 4.689 4.740 -0.001 0.000 0.180 257 N C 0.679 176.189 175.510 0.001 0.000 1.028 257 N CA 0.742 53.794 53.050 0.003 0.000 0.893 257 N CB 0.263 38.752 38.487 0.004 0.000 0.967 257 N HN 0.466 nan 8.380 nan 0.000 0.440 258 S N -1.605 114.096 115.700 0.002 0.000 2.615 258 S HA 0.348 4.817 4.470 -0.001 0.000 0.269 258 S C -0.191 174.409 174.600 -0.001 0.000 1.161 258 S CA -0.841 57.358 58.200 -0.001 0.000 0.817 258 S CB 1.636 64.834 63.200 -0.003 0.000 1.131 258 S HN -0.265 nan 8.310 nan 0.000 0.467 259 D N 0.919 121.316 120.400 -0.005 0.000 2.144 259 D HA 0.021 4.660 4.640 -0.001 0.000 0.200 259 D C 1.488 177.790 176.300 0.003 0.000 0.978 259 D CA 1.397 55.392 54.000 -0.009 0.000 0.833 259 D CB -0.233 40.558 40.800 -0.014 0.000 0.961 259 D HN 0.678 nan 8.370 nan 0.000 0.470 260 E N 0.736 120.940 120.200 0.008 0.000 2.160 260 E HA -0.136 4.213 4.350 -0.001 0.000 0.195 260 E C 1.821 178.447 176.600 0.043 0.000 0.991 260 E CA 0.857 57.269 56.400 0.020 0.000 0.810 260 E CB -0.057 29.644 29.700 0.001 0.000 0.742 260 E HN 0.437 nan 8.360 nan 0.000 0.466 261 E N -0.508 119.713 120.200 0.035 0.000 2.190 261 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 261 E C 1.837 178.487 176.600 0.084 0.000 0.978 261 E CA 0.135 56.573 56.400 0.064 0.000 0.839 261 E CB 0.043 29.764 29.700 0.035 0.000 0.787 261 E HN 0.122 nan 8.360 nan 0.000 0.473 262 L N 1.325 122.570 121.223 0.038 0.000 2.027 262 L HA -0.109 4.230 4.340 -0.001 0.000 0.206 262 L C 2.006 178.880 176.870 0.006 0.000 1.074 262 L CA 1.551 56.397 54.840 0.010 0.000 0.745 262 L CB -0.300 41.744 42.059 -0.025 0.000 0.898 262 L HN 0.050 nan 8.230 nan 0.000 0.433 263 I N -0.802 119.774 120.570 0.011 0.000 2.226 263 I HA -0.323 3.846 4.170 -0.001 0.000 0.245 263 I C 2.613 178.808 176.117 0.129 0.000 1.100 263 I CA 1.545 62.864 61.300 0.032 0.000 1.374 263 I CB -0.765 37.261 38.000 0.042 0.000 1.057 263 I HN 0.479 nan 8.210 nan 0.000 0.413 264 H N 0.529 119.626 119.070 0.045 0.000 2.352 264 H HA -0.267 4.289 4.556 -0.001 0.000 0.299 264 H C 2.465 177.826 175.328 0.055 0.000 1.097 264 H CA 2.235 58.313 56.048 0.052 0.000 1.311 264 H CB 0.001 29.782 29.762 0.032 0.000 1.377 264 H HN 0.504 nan 8.280 nan 0.000 0.504 265 c N 0.900 119.503 118.600 0.005 0.000 2.462 265 c HA -0.073 4.496 4.570 -0.001 0.000 0.278 265 c C 2.992 177.062 174.090 -0.032 0.000 1.253 265 c CA 0.727 57.027 56.329 -0.048 0.000 1.713 265 c CB -1.348 41.176 42.510 0.023 0.000 2.049 265 c HN 0.586 nan 8.230 nan 0.000 0.477 266 L N 0.293 121.532 121.223 0.027 0.000 2.265 266 L HA -0.089 4.250 4.340 -0.001 0.000 0.215 266 L C 2.901 179.876 176.870 0.175 0.000 1.117 266 L CA 1.275 56.172 54.840 0.094 0.000 0.782 266 L CB -0.651 41.443 42.059 0.059 0.000 0.914 266 L HN 0.398 nan 8.230 nan 0.000 0.441 267 R N -0.666 119.905 120.500 0.118 0.000 2.161 267 R HA -0.045 4.295 4.340 -0.001 0.000 0.213 267 R C 1.976 178.252 176.300 -0.040 0.000 1.055 267 R CA 0.396 56.523 56.100 0.044 0.000 0.996 267 R CB 0.098 30.425 30.300 0.046 0.000 0.901 267 R HN 0.247 nan 8.270 nan 0.000 0.456 268 E N 0.787 120.926 120.200 -0.102 0.000 2.216 268 E HA -0.014 4.335 4.350 -0.001 0.000 0.192 268 E C 0.120 176.698 176.600 -0.038 0.000 0.988 268 E CA 0.678 57.016 56.400 -0.103 0.000 0.834 268 E CB 0.229 29.822 29.700 -0.178 0.000 0.772 268 E HN 0.022 nan 8.360 nan 0.000 0.479 269 K N 1.828 122.220 120.400 -0.013 0.000 2.382 269 K HA 0.114 4.433 4.320 -0.001 0.000 0.275 269 K C 0.407 177.032 176.600 0.042 0.000 1.009 269 K CA 0.050 56.347 56.287 0.018 0.000 0.970 269 K CB 0.626 33.143 32.500 0.027 0.000 0.934 269 K HN -0.072 nan 8.250 nan 0.000 0.479 270 K N 2.793 123.223 120.400 0.050 0.000 2.319 270 K HA 0.002 4.322 4.320 -0.001 0.000 0.265 270 K C -1.520 175.157 176.600 0.128 0.000 1.000 270 K CA -1.393 54.935 56.287 0.067 0.000 0.943 270 K CB 0.159 32.689 32.500 0.051 0.000 0.950 270 K HN 0.192 nan 8.250 nan 0.000 0.485 271 P HA -0.243 nan 4.420 nan 0.000 0.215 271 P C 1.022 178.514 177.300 0.319 0.000 1.163 271 P CA 1.341 64.633 63.100 0.320 0.000 0.894 271 P CB 0.226 31.969 31.700 0.073 0.000 0.791 272 Q N -0.069 119.838 119.800 0.178 0.000 2.364 272 Q HA -0.172 4.167 4.340 -0.001 0.000 0.209 272 Q C 1.798 177.890 176.000 0.154 0.000 0.977 272 Q CA 1.512 57.413 55.803 0.163 0.000 0.885 272 Q CB -0.814 27.989 28.738 0.108 0.000 0.941 272 Q HN 0.364 nan 8.270 nan 0.000 0.464 273 E N -0.924 119.354 120.200 0.131 0.000 2.107 273 E HA -0.137 4.213 4.350 -0.001 0.000 0.191 273 E C 1.528 178.185 176.600 0.096 0.000 0.982 273 E CA 0.914 57.374 56.400 0.100 0.000 0.809 273 E CB 0.044 29.788 29.700 0.074 0.000 0.756 273 E HN 0.276 nan 8.360 nan 0.000 0.459 274 L N 0.560 121.836 121.223 0.088 0.000 2.109 274 L HA -0.104 4.236 4.340 -0.001 0.000 0.207 274 L C 2.185 179.099 176.870 0.073 0.000 1.086 274 L CA 1.161 56.011 54.840 0.017 0.000 0.760 274 L CB -0.250 41.709 42.059 -0.166 0.000 0.910 274 L HN 0.115 nan 8.230 nan 0.000 0.437 275 I N -0.557 120.115 120.570 0.170 0.000 2.252 275 I HA -0.257 3.913 4.170 -0.001 0.000 0.245 275 I C 1.903 178.172 176.117 0.253 0.000 1.102 275 I CA 1.016 62.458 61.300 0.238 0.000 1.385 275 I CB -0.416 37.781 38.000 0.327 0.000 1.064 275 I HN 0.238 nan 8.210 nan 0.000 0.414 276 D N 0.499 121.033 120.400 0.225 0.000 2.221 276 D HA -0.125 4.514 4.640 -0.001 0.000 0.204 276 D C 1.937 178.366 176.300 0.215 0.000 0.982 276 D CA 1.543 55.681 54.000 0.230 0.000 0.857 276 D CB 0.036 40.936 40.800 0.167 0.000 0.934 276 D HN 0.392 nan 8.370 nan 0.000 0.475 277 V N -2.421 117.590 119.914 0.161 0.000 3.528 277 V HA 0.192 4.312 4.120 -0.001 0.000 0.294 277 V C 1.782 177.943 176.094 0.112 0.000 1.404 277 V CA 0.003 62.385 62.300 0.136 0.000 1.065 277 V CB 0.344 32.225 31.823 0.098 0.000 0.904 277 V HN -0.073 nan 8.190 nan 0.000 0.435 278 E N 0.932 121.173 120.200 0.069 0.000 2.086 278 E HA -0.280 4.070 4.350 -0.001 0.000 0.200 278 E C 1.599 178.064 176.600 -0.225 0.000 1.012 278 E CA 2.804 59.167 56.400 -0.061 0.000 0.812 278 E CB -0.234 29.314 29.700 -0.254 0.000 0.743 278 E HN 0.833 nan 8.360 nan 0.000 0.453 279 W N 0.754 122.045 121.300 -0.014 0.000 2.595 279 W HA 0.001 4.661 4.660 -0.001 0.000 0.257 279 W C 1.815 178.293 176.519 -0.068 0.000 1.267 279 W CA 0.149 57.443 57.345 -0.086 0.000 1.300 279 W CB -0.173 29.208 29.460 -0.131 0.000 1.120 279 W HN 0.095 nan 8.180 nan 0.000 0.618 280 N N 0.454 119.239 118.700 0.142 0.000 2.443 280 N HA -0.129 4.611 4.740 -0.001 0.000 0.184 280 N C 1.774 177.290 175.510 0.009 0.000 1.037 280 N CA 1.618 54.715 53.050 0.078 0.000 0.896 280 N CB -0.772 37.760 38.487 0.074 0.000 0.959 280 N HN 0.275 nan 8.380 nan 0.000 0.442 281 V N -2.056 117.831 119.914 -0.044 0.000 3.541 281 V HA 0.197 4.316 4.120 -0.001 0.000 0.267 281 V C 0.817 176.814 176.094 -0.162 0.000 1.213 281 V CA -0.026 62.206 62.300 -0.115 0.000 1.149 281 V CB -0.698 31.017 31.823 -0.181 0.000 0.822 281 V HN 0.034 nan 8.190 nan 0.000 0.462 282 L N 2.562 123.713 121.223 -0.119 0.000 2.540 282 L HA 0.166 4.505 4.340 -0.001 0.000 0.276 282 L C -0.206 176.554 176.870 -0.183 0.000 1.212 282 L CA -0.740 54.024 54.840 -0.127 0.000 0.893 282 L CB 0.869 42.914 42.059 -0.022 0.000 1.138 282 L HN 0.193 nan 8.230 nan 0.000 0.491 283 P HA -0.077 nan 4.420 nan 0.000 0.219 283 P C -0.169 176.739 177.300 -0.652 0.000 1.150 283 P CA 1.231 63.964 63.100 -0.611 0.000 0.814 283 P CB 0.267 31.380 31.700 -0.978 0.000 0.787 284 F N -0.510 119.436 119.950 -0.006 0.000 2.631 284 F HA 0.412 4.938 4.527 -0.001 0.000 0.328 284 F C 0.333 176.133 175.800 0.000 0.000 1.067 284 F CA -1.733 56.267 58.000 0.001 0.000 0.969 284 F CB 0.098 39.103 39.000 0.009 0.000 1.332 284 F HN -0.353 nan 8.300 nan 0.000 0.490 285 D N 1.089 121.620 120.400 0.219 0.000 2.336 285 D HA 0.457 5.097 4.640 -0.001 0.000 0.249 285 D C -0.703 175.657 176.300 0.101 0.000 1.213 285 D CA 0.306 54.373 54.000 0.112 0.000 0.870 285 D CB 0.393 41.239 40.800 0.078 0.000 1.076 285 D HN 0.634 nan 8.370 nan 0.000 0.483 286 S N 2.739 118.485 115.700 0.076 0.000 2.672 286 S HA 0.687 5.157 4.470 -0.001 0.000 0.271 286 S C -0.369 174.242 174.600 0.019 0.000 1.171 286 S CA -1.037 57.195 58.200 0.053 0.000 0.817 286 S CB 0.535 63.790 63.200 0.093 0.000 1.150 286 S HN 0.481 nan 8.310 nan 0.000 0.478 287 I N -2.908 117.670 120.570 0.014 0.000 2.846 287 I HA 0.786 4.956 4.170 -0.001 0.000 0.307 287 I C -0.322 175.796 176.117 0.002 0.000 1.053 287 I CA -1.057 60.252 61.300 0.014 0.000 1.050 287 I CB 1.266 39.296 38.000 0.050 0.000 1.239 287 I HN 0.764 nan 8.210 nan 0.000 0.439 288 F N 2.105 121.884 119.950 -0.286 0.000 3.074 288 F HA -0.175 4.351 4.527 -0.001 0.000 0.287 288 F C -0.500 174.781 175.800 -0.865 0.000 0.932 288 F CA 0.508 58.083 58.000 -0.708 0.000 0.995 288 F CB -0.693 37.806 39.000 -0.834 0.000 0.966 288 F HN 0.628 nan 8.300 nan 0.000 0.721 289 R N 0.698 120.792 120.500 -0.678 0.000 2.574 289 R HA 0.604 4.944 4.340 -0.001 0.000 0.288 289 R C -0.972 174.937 176.300 -0.652 0.000 1.004 289 R CA -0.520 55.248 56.100 -0.552 0.000 0.895 289 R CB 1.230 31.452 30.300 -0.131 0.000 1.191 289 R HN 0.001 nan 8.270 nan 0.000 0.444 290 F N -0.581 119.484 119.950 0.192 0.000 2.546 290 F HA 0.396 4.922 4.527 -0.001 0.000 0.320 290 F C 1.606 177.354 175.800 -0.088 0.000 1.076 290 F CA -0.831 57.217 58.000 0.080 0.000 0.928 290 F CB 1.601 40.742 39.000 0.235 0.000 1.189 290 F HN 0.343 nan 8.300 nan 0.000 0.465 291 S N 0.688 116.291 115.700 -0.162 0.000 2.380 291 S HA -0.105 4.364 4.470 -0.001 0.000 0.217 291 S C 0.202 174.438 174.600 -0.606 0.000 1.036 291 S CA 1.257 59.148 58.200 -0.515 0.000 1.050 291 S CB -0.336 62.368 63.200 -0.827 0.000 1.016 291 S HN 0.367 nan 8.310 nan 0.000 0.419 292 F N 2.178 122.148 119.950 0.032 0.000 2.313 292 F HA 0.522 5.049 4.527 -0.001 0.000 0.369 292 F C 0.149 175.978 175.800 0.049 0.000 1.109 292 F CA -0.883 57.168 58.000 0.085 0.000 1.132 292 F CB 0.544 39.632 39.000 0.146 0.000 1.291 292 F HN -0.030 nan 8.300 nan 0.000 0.496 293 V N 0.823 120.722 119.914 -0.025 0.000 3.155 293 V HA 0.745 4.865 4.120 -0.001 0.000 0.313 293 V C -2.835 172.950 176.094 -0.514 0.000 1.162 293 V CA -3.446 58.553 62.300 -0.502 0.000 1.048 293 V CB 1.906 33.574 31.823 -0.257 0.000 1.092 293 V HN 0.234 nan 8.190 nan 0.000 0.447 294 P HA 0.220 nan 4.420 nan 0.000 0.265 294 P C -0.479 176.727 177.300 -0.156 0.000 1.187 294 P CA 0.324 63.216 63.100 -0.347 0.000 0.766 294 P CB 0.451 31.874 31.700 -0.461 0.000 0.820 295 V N 1.283 121.206 119.914 0.014 0.000 2.667 295 V HA 0.438 4.557 4.120 -0.001 0.000 0.308 295 V C 0.125 176.272 176.094 0.088 0.000 1.048 295 V CA -0.774 61.525 62.300 -0.001 0.000 0.928 295 V CB 1.714 33.545 31.823 0.014 0.000 1.004 295 V HN 0.207 nan 8.190 nan 0.000 0.444 296 I N 4.533 125.088 120.570 -0.025 0.000 2.227 296 I HA 0.173 4.342 4.170 -0.001 0.000 0.297 296 I C 1.075 177.190 176.117 -0.004 0.000 1.173 296 I CA 0.031 61.343 61.300 0.020 0.000 1.356 296 I CB -0.481 37.452 38.000 -0.112 0.000 1.485 296 I HN 0.955 nan 8.210 nan 0.000 0.604 297 D N 3.031 123.468 120.400 0.062 0.000 2.234 297 D HA -0.042 4.598 4.640 -0.001 0.000 0.205 297 D C 1.501 177.751 176.300 -0.082 0.000 0.962 297 D CA 1.178 55.096 54.000 -0.137 0.000 0.855 297 D CB 0.263 41.074 40.800 0.019 0.000 0.951 297 D HN 0.597 nan 8.370 nan 0.000 0.500 298 G N 0.107 108.953 108.800 0.076 0.000 2.179 298 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.220 298 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.220 298 G C 0.854 175.819 174.900 0.109 0.000 0.990 298 G CA 0.406 45.560 45.100 0.091 0.000 0.646 298 G HN 0.460 nan 8.290 nan 0.000 0.517 299 E N -1.207 119.067 120.200 0.124 0.000 2.307 299 E HA 0.374 4.724 4.350 -0.001 0.000 0.192 299 E C 1.810 178.432 176.600 0.037 0.000 0.967 299 E CA -0.150 56.303 56.400 0.090 0.000 1.042 299 E CB 0.007 29.778 29.700 0.118 0.000 1.126 299 E HN 0.206 nan 8.360 nan 0.000 0.484 300 F N 0.785 120.657 119.950 -0.130 0.000 2.171 300 F HA -0.027 4.500 4.527 -0.001 0.000 0.300 300 F C 0.171 175.673 175.800 -0.497 0.000 1.090 300 F CA 1.084 58.866 58.000 -0.363 0.000 1.293 300 F CB 0.343 39.008 39.000 -0.557 0.000 1.013 300 F HN -0.129 nan 8.300 nan 0.000 0.486 301 F N 0.474 120.561 119.950 0.229 0.000 2.434 301 F HA 0.365 4.891 4.527 -0.001 0.000 0.355 301 F C -1.639 174.197 175.800 0.061 0.000 1.115 301 F CA -2.920 55.158 58.000 0.130 0.000 1.010 301 F CB 0.688 39.756 39.000 0.114 0.000 1.234 301 F HN -0.259 nan 8.300 nan 0.000 0.439 302 P HA -0.126 nan 4.420 nan 0.000 0.215 302 P C 0.418 177.775 177.300 0.096 0.000 1.157 302 P CA 1.937 65.096 63.100 0.099 0.000 0.874 302 P CB 0.199 31.936 31.700 0.061 0.000 0.790 303 T N -6.546 108.071 114.554 0.106 0.000 2.654 303 T HA 0.452 4.802 4.350 -0.001 0.000 0.289 303 T C -0.343 174.389 174.700 0.053 0.000 1.062 303 T CA -0.720 61.419 62.100 0.065 0.000 1.041 303 T CB 0.673 69.566 68.868 0.041 0.000 1.417 303 T HN -0.028 nan 8.240 nan 0.000 0.510 304 S N 0.187 115.895 115.700 0.012 0.000 2.558 304 S HA 0.147 4.617 4.470 -0.001 0.000 0.288 304 S C 1.511 176.099 174.600 -0.020 0.000 1.318 304 S CA -0.717 57.465 58.200 -0.029 0.000 1.056 304 S CB -0.399 62.783 63.200 -0.030 0.000 0.853 304 S HN 0.656 nan 8.310 nan 0.000 0.505 305 L N 0.609 121.778 121.223 -0.089 0.000 2.079 305 L HA -0.136 4.203 4.340 -0.001 0.000 0.210 305 L C 2.884 179.775 176.870 0.034 0.000 1.081 305 L CA 1.940 56.744 54.840 -0.061 0.000 0.752 305 L CB -0.728 41.225 42.059 -0.177 0.000 0.896 305 L HN 0.800 nan 8.230 nan 0.000 0.433 306 E N 0.623 120.839 120.200 0.028 0.000 2.047 306 E HA -0.181 4.169 4.350 -0.001 0.000 0.191 306 E C 2.292 178.947 176.600 0.091 0.000 0.987 306 E CA 1.637 58.089 56.400 0.087 0.000 0.799 306 E CB -0.102 29.636 29.700 0.064 0.000 0.752 306 E HN 0.445 nan 8.360 nan 0.000 0.449 307 S N -0.339 115.396 115.700 0.057 0.000 2.399 307 S HA -0.178 4.291 4.470 -0.001 0.000 0.231 307 S C 2.137 176.772 174.600 0.058 0.000 1.022 307 S CA 1.359 59.589 58.200 0.051 0.000 0.983 307 S CB -0.378 62.840 63.200 0.030 0.000 0.803 307 S HN 0.266 nan 8.310 nan 0.000 0.480 308 M N 0.825 120.475 119.600 0.083 0.000 2.132 308 M HA 0.082 4.561 4.480 -0.001 0.000 0.263 308 M C 2.248 178.664 176.300 0.194 0.000 1.065 308 M CA 1.335 56.704 55.300 0.115 0.000 1.122 308 M CB -0.570 32.131 32.600 0.169 0.000 1.365 308 M HN 0.306 nan 8.290 nan 0.000 0.411 309 L N -0.007 121.355 121.223 0.232 0.000 2.083 309 L HA -0.231 4.108 4.340 -0.001 0.000 0.209 309 L C 2.192 179.217 176.870 0.258 0.000 1.083 309 L CA 0.860 55.881 54.840 0.301 0.000 0.752 309 L CB -0.739 41.422 42.059 0.170 0.000 0.899 309 L HN 0.380 nan 8.230 nan 0.000 0.433 310 N N -0.321 118.471 118.700 0.154 0.000 2.171 310 N HA -0.125 4.614 4.740 -0.001 0.000 0.184 310 N C 1.982 177.538 175.510 0.077 0.000 1.021 310 N CA 1.721 54.856 53.050 0.141 0.000 0.854 310 N CB -0.110 38.442 38.487 0.109 0.000 0.994 310 N HN 0.327 nan 8.380 nan 0.000 0.426 311 S N -0.798 114.868 115.700 -0.056 0.000 2.562 311 S HA 0.192 4.662 4.470 -0.001 0.000 0.221 311 S C 1.348 175.551 174.600 -0.661 0.000 0.975 311 S CA 0.551 58.628 58.200 -0.204 0.000 0.918 311 S CB 0.087 63.206 63.200 -0.135 0.000 0.772 311 S HN 0.406 nan 8.310 nan 0.000 0.531 312 G N 1.820 110.043 108.800 -0.963 0.000 2.147 312 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.244 312 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.244 312 G C -0.050 173.977 174.900 -1.456 0.000 1.005 312 G CA 0.039 43.964 45.100 -1.959 0.000 0.713 312 G HN 0.573 nan 8.290 nan 0.000 0.515 313 N N 0.639 118.907 118.700 -0.720 0.000 2.895 313 N HA 0.519 5.259 4.740 -0.001 0.000 0.277 313 N C -0.140 175.299 175.510 -0.117 0.000 1.185 313 N CA -0.106 52.729 53.050 -0.358 0.000 1.106 313 N CB -0.834 37.577 38.487 -0.127 0.000 1.422 313 N HN 0.687 nan 8.380 nan 0.000 0.521 314 F N -1.262 118.652 119.950 -0.061 0.000 2.807 314 F HA 0.403 4.929 4.527 -0.000 0.000 0.316 314 F C -0.336 175.498 175.800 0.055 0.000 1.162 314 F CA -1.447 56.587 58.000 0.057 0.000 0.910 314 F CB 0.633 39.738 39.000 0.174 0.000 1.314 314 F HN -0.173 nan 8.300 nan 0.000 0.454 315 K N 1.563 122.227 120.400 0.440 0.000 2.416 315 K HA 0.220 4.540 4.320 -0.001 0.000 0.283 315 K C -1.013 175.837 176.600 0.417 0.000 1.037 315 K CA -0.245 56.212 56.287 0.284 0.000 0.995 315 K CB 0.488 33.102 32.500 0.190 0.000 0.938 315 K HN 0.614 nan 8.250 nan 0.000 0.475 316 K N 2.764 123.283 120.400 0.198 0.000 2.267 316 K HA 0.187 4.507 4.320 -0.001 0.000 0.282 316 K C -0.193 176.522 176.600 0.190 0.000 1.078 316 K CA -0.126 56.267 56.287 0.176 0.000 0.903 316 K CB 1.711 34.236 32.500 0.042 0.000 1.111 316 K HN 0.680 nan 8.250 nan 0.000 0.475 317 T N 1.372 116.117 114.554 0.318 0.000 2.647 317 T HA 0.289 4.639 4.350 -0.001 0.000 0.302 317 T C -1.514 173.386 174.700 0.333 0.000 1.389 317 T CA -0.720 61.530 62.100 0.249 0.000 1.037 317 T CB 0.545 69.532 68.868 0.198 0.000 1.755 317 T HN 0.376 nan 8.240 nan 0.000 0.467 318 Q N 1.119 121.081 119.800 0.271 0.000 2.245 318 Q HA 0.751 5.090 4.340 -0.001 0.000 0.256 318 Q C -0.412 175.875 176.000 0.480 0.000 0.942 318 Q CA -0.482 55.535 55.803 0.357 0.000 0.896 318 Q CB 1.433 30.345 28.738 0.289 0.000 1.272 318 Q HN 0.672 nan 8.270 nan 0.000 0.442 319 I N -1.208 119.587 120.570 0.375 0.000 2.730 319 I HA 0.696 4.865 4.170 -0.001 0.000 0.298 319 I C -1.437 174.591 176.117 -0.148 0.000 1.089 319 I CA -1.349 60.034 61.300 0.139 0.000 1.041 319 I CB 1.835 39.750 38.000 -0.140 0.000 1.235 319 I HN 0.537 nan 8.210 nan 0.000 0.423 320 L N 7.170 128.092 121.223 -0.502 0.000 2.372 320 L HA 0.746 5.085 4.340 -0.001 0.000 0.274 320 L C -1.239 175.452 176.870 -0.299 0.000 0.988 320 L CA -0.502 53.941 54.840 -0.661 0.000 0.833 320 L CB 1.503 42.653 42.059 -1.514 0.000 1.236 320 L HN 0.836 nan 8.230 nan 0.000 0.410 321 L N 2.439 123.611 121.223 -0.086 0.000 2.491 321 L HA 1.129 5.469 4.340 -0.001 0.000 0.254 321 L C -0.684 176.032 176.870 -0.258 0.000 1.048 321 L CA -0.475 54.343 54.840 -0.036 0.000 0.855 321 L CB 2.034 44.060 42.059 -0.056 0.000 1.466 321 L HN 0.631 nan 8.230 nan 0.000 0.409 322 G N -0.204 108.244 108.800 -0.588 0.000 2.342 322 G HA2 0.567 4.527 3.960 -0.001 0.000 0.297 322 G HA3 0.567 4.527 3.960 -0.001 0.000 0.297 322 G C -1.564 172.994 174.900 -0.569 0.000 1.313 322 G CA 0.016 44.438 45.100 -1.130 0.000 0.830 322 G HN 1.420 nan 8.290 nan 0.000 0.506 323 V N -2.457 117.273 119.914 -0.307 0.000 3.130 323 V HA 0.844 4.964 4.120 -0.001 0.000 0.310 323 V C -0.864 175.295 176.094 0.109 0.000 1.158 323 V CA -1.456 60.866 62.300 0.037 0.000 1.029 323 V CB 1.862 33.745 31.823 0.099 0.000 1.057 323 V HN 0.667 nan 8.190 nan 0.000 0.436 324 N N 0.997 119.789 118.700 0.153 0.000 2.495 324 N HA 0.406 5.145 4.740 -0.001 0.000 0.280 324 N C 0.647 176.096 175.510 -0.102 0.000 1.168 324 N CA -0.482 52.634 53.050 0.111 0.000 0.978 324 N CB 1.573 40.223 38.487 0.272 0.000 1.191 324 N HN 0.922 nan 8.380 nan 0.000 0.497 325 K N 0.023 120.266 120.400 -0.262 0.000 2.026 325 K HA -0.064 4.255 4.320 -0.001 0.000 0.208 325 K C -0.668 176.006 176.600 0.125 0.000 1.048 325 K CA 1.219 57.421 56.287 -0.143 0.000 0.929 325 K CB 0.188 32.634 32.500 -0.089 0.000 0.713 325 K HN 0.528 nan 8.250 nan 0.000 0.439 326 D N 1.350 121.823 120.400 0.120 0.000 2.483 326 D HA 0.054 4.693 4.640 -0.001 0.000 0.281 326 D C 0.110 176.518 176.300 0.180 0.000 1.174 326 D CA -0.091 53.999 54.000 0.149 0.000 0.938 326 D CB 1.448 42.311 40.800 0.105 0.000 1.002 326 D HN 0.175 nan 8.370 nan 0.000 0.501 327 E N 0.576 120.914 120.200 0.230 0.000 2.152 327 E HA -0.062 4.287 4.350 -0.001 0.000 0.192 327 E C 1.958 178.747 176.600 0.315 0.000 0.983 327 E CA 0.405 56.994 56.400 0.316 0.000 0.818 327 E CB 0.245 30.140 29.700 0.324 0.000 0.758 327 E HN 0.427 nan 8.360 nan 0.000 0.467 328 G N 1.592 110.539 108.800 0.246 0.000 2.572 328 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.216 328 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.216 328 G C 1.749 176.788 174.900 0.231 0.000 1.133 328 G CA 0.852 46.109 45.100 0.263 0.000 0.791 328 G HN 0.339 nan 8.290 nan 0.000 0.538 329 S N 0.850 116.630 115.700 0.133 0.000 2.365 329 S HA -0.211 4.259 4.470 -0.001 0.000 0.225 329 S C 2.065 176.608 174.600 -0.094 0.000 1.039 329 S CA 1.182 59.391 58.200 0.015 0.000 1.033 329 S CB -0.630 62.465 63.200 -0.175 0.000 0.887 329 S HN 0.127 nan 8.310 nan 0.000 0.447 330 F N 2.061 121.822 119.950 -0.315 0.000 2.120 330 F HA 0.027 4.554 4.527 -0.001 0.000 0.300 330 F C 1.841 177.272 175.800 -0.615 0.000 1.095 330 F CA 0.402 58.036 58.000 -0.610 0.000 1.249 330 F CB -0.833 37.615 39.000 -0.919 0.000 0.995 330 F HN 0.195 nan 8.300 nan 0.000 0.480 331 F N -1.056 118.857 119.950 -0.062 0.000 2.416 331 F HA -0.023 4.503 4.527 -0.001 0.000 0.296 331 F C 2.160 177.912 175.800 -0.079 0.000 1.099 331 F CA 0.545 58.456 58.000 -0.148 0.000 1.427 331 F CB -0.899 37.910 39.000 -0.319 0.000 1.079 331 F HN -0.149 nan 8.300 nan 0.000 0.536 332 L N -0.623 120.586 121.223 -0.024 0.000 2.179 332 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 332 L C 2.330 179.043 176.870 -0.262 0.000 1.096 332 L CA 0.453 55.061 54.840 -0.387 0.000 0.779 332 L CB -0.456 41.023 42.059 -0.966 0.000 0.922 332 L HN 0.172 nan 8.230 nan 0.000 0.443 333 L N -1.385 119.888 121.223 0.084 0.000 2.141 333 L HA -0.183 4.157 4.340 -0.001 0.000 0.209 333 L C 2.013 179.034 176.870 0.250 0.000 1.094 333 L CA 1.841 56.880 54.840 0.330 0.000 0.763 333 L CB -0.400 41.869 42.059 0.350 0.000 0.908 333 L HN 0.118 nan 8.230 nan 0.000 0.437 334 Y N -1.333 119.020 120.300 0.088 0.000 2.510 334 Y HA 0.318 4.868 4.550 -0.001 0.000 0.273 334 Y C 2.105 178.005 175.900 0.000 0.000 1.119 334 Y CA 0.590 58.723 58.100 0.054 0.000 1.286 334 Y CB 0.374 38.818 38.460 -0.026 0.000 1.061 334 Y HN 0.215 nan 8.280 nan 0.000 0.542 335 G N -1.604 107.272 108.800 0.127 0.000 3.531 335 G HA2 0.390 4.349 3.960 -0.001 0.000 0.212 335 G HA3 0.390 4.349 3.960 -0.001 0.000 0.212 335 G C -0.092 174.850 174.900 0.070 0.000 1.146 335 G CA 0.310 45.448 45.100 0.065 0.000 0.916 335 G HN 0.221 nan 8.290 nan 0.000 0.637 336 A N 2.037 124.912 122.820 0.092 0.000 2.301 336 A HA 0.743 5.062 4.320 -0.001 0.000 0.298 336 A C -2.361 175.408 177.584 0.308 0.000 1.185 336 A CA -1.445 50.692 52.037 0.167 0.000 0.830 336 A CB 0.692 19.756 19.000 0.107 0.000 1.112 336 A HN 0.078 nan 8.150 nan 0.000 0.508 337 P HA 0.261 nan 4.420 nan 0.000 0.271 337 P C 0.789 178.132 177.300 0.073 0.000 1.220 337 P CA 1.317 64.492 63.100 0.125 0.000 0.768 337 P CB 1.085 32.824 31.700 0.065 0.000 0.848 338 G N 2.004 110.791 108.800 -0.023 0.000 2.201 338 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.212 338 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.212 338 G C -0.324 174.319 174.900 -0.428 0.000 0.994 338 G CA -0.562 44.392 45.100 -0.242 0.000 0.644 338 G HN 0.423 nan 8.290 nan 0.000 0.508 339 F N 2.191 122.082 119.950 -0.099 0.000 2.421 339 F HA 0.696 5.223 4.527 -0.001 0.000 0.337 339 F C 0.725 176.529 175.800 0.006 0.000 1.105 339 F CA -0.023 57.894 58.000 -0.138 0.000 1.049 339 F CB 2.299 41.271 39.000 -0.048 0.000 1.139 339 F HN 0.334 nan 8.300 nan 0.000 0.479 340 S N 1.374 117.203 115.700 0.214 0.000 2.537 340 S HA 0.325 4.795 4.470 -0.001 0.000 0.270 340 S C 0.200 175.020 174.600 0.367 0.000 1.142 340 S CA -1.172 57.180 58.200 0.252 0.000 0.870 340 S CB 2.021 65.293 63.200 0.121 0.000 1.112 340 S HN 0.717 nan 8.310 nan 0.000 0.466 341 K N 0.276 120.840 120.400 0.274 0.000 2.147 341 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 341 K C 0.123 176.785 176.600 0.103 0.000 1.049 341 K CA 1.753 58.113 56.287 0.121 0.000 0.936 341 K CB -0.146 32.117 32.500 -0.395 0.000 0.722 341 K HN 0.657 nan 8.250 nan 0.000 0.446 342 D N 0.260 120.703 120.400 0.071 0.000 2.369 342 D HA 0.003 4.642 4.640 -0.001 0.000 0.211 342 D C 0.171 176.511 176.300 0.066 0.000 1.077 342 D CA 0.183 54.206 54.000 0.038 0.000 0.842 342 D CB 0.738 41.528 40.800 -0.016 0.000 0.947 342 D HN 0.187 nan 8.370 nan 0.000 0.509 343 S N -0.775 114.979 115.700 0.090 0.000 2.648 343 S HA 0.303 4.772 4.470 -0.001 0.000 0.305 343 S C 0.862 175.469 174.600 0.012 0.000 1.094 343 S CA -0.702 57.510 58.200 0.021 0.000 0.983 343 S CB 2.800 65.973 63.200 -0.045 0.000 1.101 343 S HN -0.148 nan 8.310 nan 0.000 0.514 344 E N 0.797 120.974 120.200 -0.039 0.000 2.401 344 E HA -0.030 4.319 4.350 -0.001 0.000 0.199 344 E C -0.369 176.008 176.600 -0.372 0.000 1.023 344 E CA 0.563 56.926 56.400 -0.062 0.000 0.859 344 E CB -0.280 29.398 29.700 -0.035 0.000 0.780 344 E HN 0.776 nan 8.360 nan 0.000 0.523 345 S N 0.866 116.288 115.700 -0.463 0.000 3.628 345 S HA -0.179 4.291 4.470 -0.001 0.000 0.373 345 S C -0.407 173.822 174.600 -0.617 0.000 0.968 345 S CA 0.641 58.418 58.200 -0.705 0.000 1.215 345 S CB -1.114 61.316 63.200 -1.284 0.000 0.912 345 S HN 0.268 nan 8.310 nan 0.000 0.495 346 K N 1.010 121.187 120.400 -0.373 0.000 2.349 346 K HA 0.270 4.590 4.320 -0.001 0.000 0.288 346 K C 0.349 176.764 176.600 -0.308 0.000 1.058 346 K CA -0.235 55.889 56.287 -0.272 0.000 0.953 346 K CB 0.413 32.813 32.500 -0.166 0.000 0.997 346 K HN 0.217 nan 8.250 nan 0.000 0.477 347 I N 2.910 123.306 120.570 -0.289 0.000 2.365 347 I HA 0.032 4.202 4.170 -0.001 0.000 0.291 347 I C 1.018 177.064 176.117 -0.119 0.000 1.004 347 I CA -0.163 60.986 61.300 -0.251 0.000 1.311 347 I CB 1.074 38.938 38.000 -0.227 0.000 1.401 347 I HN 0.656 nan 8.210 nan 0.000 0.491 348 S N 6.019 121.662 115.700 -0.094 0.000 2.632 348 S HA 0.301 4.770 4.470 -0.001 0.000 0.267 348 S C 1.122 175.727 174.600 0.008 0.000 1.276 348 S CA -0.519 57.651 58.200 -0.049 0.000 0.998 348 S CB 1.618 64.791 63.200 -0.044 0.000 0.953 348 S HN 0.587 nan 8.310 nan 0.000 0.547 349 R N 0.871 121.370 120.500 -0.000 0.000 2.105 349 R HA -0.087 4.252 4.340 -0.001 0.000 0.239 349 R C 1.766 178.133 176.300 0.111 0.000 1.135 349 R CA 1.966 58.087 56.100 0.034 0.000 0.967 349 R CB -0.918 29.388 30.300 0.011 0.000 0.861 349 R HN 0.835 nan 8.270 nan 0.000 0.442 350 E N 0.063 120.304 120.200 0.068 0.000 2.072 350 E HA -0.116 4.234 4.350 -0.001 0.000 0.191 350 E C 1.503 178.148 176.600 0.076 0.000 0.985 350 E CA 1.487 57.928 56.400 0.067 0.000 0.801 350 E CB -0.179 29.542 29.700 0.035 0.000 0.750 350 E HN 0.329 nan 8.360 nan 0.000 0.452 351 D N -0.725 119.712 120.400 0.062 0.000 2.224 351 D HA -0.085 4.554 4.640 -0.001 0.000 0.205 351 D C 1.528 177.891 176.300 0.105 0.000 0.965 351 D CA 0.345 54.377 54.000 0.052 0.000 0.852 351 D CB -0.127 40.663 40.800 -0.018 0.000 0.947 351 D HN 0.123 nan 8.370 nan 0.000 0.494 352 F N 1.150 121.099 119.950 -0.001 0.000 2.113 352 F HA -0.162 4.365 4.527 -0.001 0.000 0.297 352 F C 2.199 178.022 175.800 0.037 0.000 1.103 352 F CA 1.144 59.157 58.000 0.022 0.000 1.248 352 F CB -0.088 38.907 39.000 -0.008 0.000 0.999 352 F HN -0.194 nan 8.300 nan 0.000 0.475 353 M N -0.292 119.413 119.600 0.176 0.000 2.149 353 M HA -0.192 4.288 4.480 -0.001 0.000 0.261 353 M C 2.275 178.567 176.300 -0.014 0.000 1.064 353 M CA 1.433 56.782 55.300 0.082 0.000 1.102 353 M CB -1.430 31.250 32.600 0.133 0.000 1.369 353 M HN 0.134 nan 8.290 nan 0.000 0.408 354 S N 0.398 116.102 115.700 0.006 0.000 2.387 354 S HA -0.015 4.454 4.470 -0.001 0.000 0.226 354 S C 2.040 176.623 174.600 -0.028 0.000 1.026 354 S CA 1.197 59.397 58.200 0.000 0.000 0.972 354 S CB -0.573 62.643 63.200 0.027 0.000 0.814 354 S HN 0.664 nan 8.310 nan 0.000 0.477 355 G N 1.435 110.201 108.800 -0.056 0.000 2.402 355 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.216 355 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.216 355 G C 1.431 176.236 174.900 -0.158 0.000 1.162 355 G CA 0.908 45.964 45.100 -0.073 0.000 0.777 355 G HN 0.416 nan 8.290 nan 0.000 0.539 356 V N 0.777 120.535 119.914 -0.260 0.000 2.343 356 V HA -0.144 3.976 4.120 -0.001 0.000 0.247 356 V C 2.834 178.853 176.094 -0.125 0.000 1.051 356 V CA 1.849 64.016 62.300 -0.222 0.000 1.036 356 V CB -0.345 31.341 31.823 -0.229 0.000 0.654 356 V HN 0.183 nan 8.190 nan 0.000 0.451 357 K N 0.069 120.411 120.400 -0.096 0.000 2.063 357 K HA -0.116 4.204 4.320 -0.001 0.000 0.208 357 K C 2.036 178.589 176.600 -0.078 0.000 1.048 357 K CA 1.607 57.847 56.287 -0.078 0.000 0.928 357 K CB -0.514 31.957 32.500 -0.047 0.000 0.713 357 K HN 0.430 nan 8.250 nan 0.000 0.442 358 L N 0.306 121.496 121.223 -0.054 0.000 2.156 358 L HA -0.101 4.239 4.340 -0.001 0.000 0.208 358 L C 2.243 179.092 176.870 -0.036 0.000 1.095 358 L CA 0.754 55.577 54.840 -0.029 0.000 0.770 358 L CB -0.230 41.825 42.059 -0.007 0.000 0.914 358 L HN 0.025 nan 8.230 nan 0.000 0.439 359 S N -0.761 114.900 115.700 -0.065 0.000 2.406 359 S HA -0.004 4.465 4.470 -0.001 0.000 0.228 359 S C 0.948 175.472 174.600 -0.125 0.000 1.020 359 S CA 0.522 58.682 58.200 -0.066 0.000 0.965 359 S CB 0.247 63.395 63.200 -0.086 0.000 0.798 359 S HN 0.160 nan 8.310 nan 0.000 0.488 360 V N 3.048 122.852 119.914 -0.184 0.000 2.320 360 V HA 0.213 4.333 4.120 -0.001 0.000 0.257 360 V C -1.722 174.177 176.094 -0.326 0.000 0.996 360 V CA -1.400 60.698 62.300 -0.337 0.000 0.928 360 V CB 0.817 32.448 31.823 -0.320 0.000 1.169 360 V HN 0.174 nan 8.190 nan 0.000 0.475 361 P HA -0.196 nan 4.420 nan 0.000 0.216 361 P C 1.114 178.044 177.300 -0.617 0.000 1.150 361 P CA 1.552 64.466 63.100 -0.309 0.000 0.837 361 P CB -0.044 31.607 31.700 -0.081 0.000 0.786 362 H N -0.839 117.959 119.070 -0.454 0.000 2.612 362 H HA 0.518 5.074 4.556 -0.001 0.000 0.285 362 H C 0.116 175.288 175.328 -0.259 0.000 1.066 362 H CA -0.259 55.534 56.048 -0.424 0.000 1.180 362 H CB -0.537 29.135 29.762 -0.149 0.000 1.312 362 H HN -0.002 nan 8.280 nan 0.000 0.606 363 A N 1.830 124.380 122.820 -0.450 0.000 2.340 363 A HA 0.376 4.696 4.320 -0.001 0.000 0.331 363 A C 0.190 177.653 177.584 -0.202 0.000 1.140 363 A CA -0.811 51.040 52.037 -0.310 0.000 0.801 363 A CB 1.328 20.136 19.000 -0.320 0.000 1.234 363 A HN 0.595 nan 8.150 nan 0.000 0.469 364 N N 0.416 119.035 118.700 -0.135 0.000 2.495 364 N HA 0.133 4.873 4.740 -0.001 0.000 0.294 364 N C -0.090 175.380 175.510 -0.066 0.000 1.276 364 N CA -0.418 52.579 53.050 -0.089 0.000 0.973 364 N CB 0.108 38.556 38.487 -0.064 0.000 1.143 364 N HN 0.482 nan 8.380 nan 0.000 0.589 365 D N -0.372 120.005 120.400 -0.038 0.000 2.117 365 D HA -0.097 4.542 4.640 -0.001 0.000 0.197 365 D C 1.683 177.983 176.300 0.000 0.000 0.987 365 D CA 0.700 54.690 54.000 -0.016 0.000 0.829 365 D CB 0.015 40.811 40.800 -0.005 0.000 0.961 365 D HN 0.400 nan 8.370 nan 0.000 0.460 366 L N 0.740 121.959 121.223 -0.005 0.000 2.093 366 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 366 L C 2.348 179.232 176.870 0.022 0.000 1.085 366 L CA 1.470 56.318 54.840 0.012 0.000 0.755 366 L CB -0.482 41.576 42.059 -0.003 0.000 0.904 366 L HN 0.045 nan 8.230 nan 0.000 0.435 367 G N -0.224 108.564 108.800 -0.021 0.000 2.408 367 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 367 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 367 G C 1.558 176.466 174.900 0.014 0.000 1.150 367 G CA 0.525 45.606 45.100 -0.033 0.000 0.776 367 G HN 0.321 nan 8.290 nan 0.000 0.542 368 L N 0.326 121.548 121.223 -0.001 0.000 2.093 368 L HA -0.041 4.299 4.340 -0.001 0.000 0.208 368 L C 2.427 179.347 176.870 0.083 0.000 1.085 368 L CA 1.102 55.954 54.840 0.020 0.000 0.755 368 L CB -0.332 41.726 42.059 -0.001 0.000 0.904 368 L HN 0.075 nan 8.230 nan 0.000 0.435 369 D N 0.118 120.574 120.400 0.092 0.000 2.144 369 D HA -0.108 4.532 4.640 -0.001 0.000 0.200 369 D C 2.234 178.635 176.300 0.167 0.000 0.978 369 D CA 1.319 55.398 54.000 0.132 0.000 0.833 369 D CB -0.005 40.856 40.800 0.102 0.000 0.961 369 D HN 0.271 nan 8.370 nan 0.000 0.470 370 A N 0.331 123.260 122.820 0.183 0.000 1.902 370 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 370 A C 2.441 180.165 177.584 0.234 0.000 1.181 370 A CA 1.162 53.368 52.037 0.282 0.000 0.623 370 A CB -0.712 18.533 19.000 0.408 0.000 0.818 370 A HN 0.141 nan 8.150 nan 0.000 0.443 371 V N -0.240 119.820 119.914 0.244 0.000 2.295 371 V HA -0.219 3.901 4.120 -0.001 0.000 0.246 371 V C 2.744 178.933 176.094 0.158 0.000 1.049 371 V CA 2.459 64.851 62.300 0.153 0.000 1.024 371 V CB -1.297 30.620 31.823 0.157 0.000 0.648 371 V HN 0.603 nan 8.190 nan 0.000 0.447 372 T N 0.499 115.174 114.554 0.202 0.000 2.708 372 T HA -0.202 4.148 4.350 -0.001 0.000 0.266 372 T C 1.911 176.752 174.700 0.236 0.000 1.037 372 T CA 1.868 64.150 62.100 0.304 0.000 1.146 372 T CB -0.368 68.700 68.868 0.333 0.000 0.865 372 T HN 0.306 nan 8.240 nan 0.000 0.435 373 L N 1.171 122.527 121.223 0.221 0.000 2.042 373 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 373 L C 2.565 179.440 176.870 0.008 0.000 1.076 373 L CA 1.804 56.786 54.840 0.237 0.000 0.749 373 L CB -0.614 41.555 42.059 0.183 0.000 0.893 373 L HN 0.127 nan 8.230 nan 0.000 0.432 374 Q N -1.111 118.569 119.800 -0.201 0.000 2.170 374 Q HA -0.206 4.134 4.340 -0.001 0.000 0.203 374 Q C 1.018 176.719 176.000 -0.500 0.000 0.976 374 Q CA 1.911 57.399 55.803 -0.524 0.000 0.858 374 Q CB -0.239 27.792 28.738 -1.178 0.000 0.907 374 Q HN 0.694 nan 8.270 nan 0.000 0.433 375 Y N -0.840 119.380 120.300 -0.133 0.000 2.636 375 Y HA 0.364 4.913 4.550 -0.001 0.000 0.260 375 Y C -0.318 175.502 175.900 -0.133 0.000 1.177 375 Y CA -0.251 57.827 58.100 -0.036 0.000 1.209 375 Y CB 0.882 39.428 38.460 0.143 0.000 1.166 375 Y HN -0.175 nan 8.280 nan 0.000 0.531 376 T N 0.223 114.648 114.554 -0.215 0.000 2.829 376 T HA 0.154 4.503 4.350 -0.001 0.000 0.280 376 T C -1.080 173.206 174.700 -0.690 0.000 0.999 376 T CA -0.689 61.043 62.100 -0.612 0.000 0.983 376 T CB 1.432 69.632 68.868 -1.113 0.000 0.968 376 T HN -0.039 nan 8.240 nan 0.000 0.446 377 D N 1.663 121.713 120.400 -0.583 0.000 2.456 377 D HA 0.202 4.842 4.640 -0.001 0.000 0.219 377 D C 0.065 176.132 176.300 -0.388 0.000 1.126 377 D CA -0.840 52.943 54.000 -0.362 0.000 0.890 377 D CB 0.358 41.032 40.800 -0.210 0.000 1.025 377 D HN 0.600 nan 8.370 nan 0.000 0.511 378 W N 2.814 124.077 121.300 -0.062 0.000 2.721 378 W HA -0.025 4.635 4.660 -0.001 0.000 0.245 378 W C 1.903 178.394 176.519 -0.047 0.000 1.276 378 W CA -0.273 57.039 57.345 -0.055 0.000 1.342 378 W CB -0.119 29.313 29.460 -0.046 0.000 1.135 378 W HN 0.407 nan 8.180 nan 0.000 0.654 379 M N 0.144 119.805 119.600 0.103 0.000 2.506 379 M HA -0.020 4.459 4.480 -0.001 0.000 0.260 379 M C -0.221 176.089 176.300 0.017 0.000 1.104 379 M CA 1.470 56.805 55.300 0.058 0.000 1.112 379 M CB 0.133 32.751 32.600 0.030 0.000 1.401 379 M HN -0.219 nan 8.290 nan 0.000 0.473 380 D N -0.497 119.888 120.400 -0.024 0.000 3.118 380 D HA 0.040 4.680 4.640 -0.001 0.000 0.259 380 D C -0.106 176.124 176.300 -0.116 0.000 1.292 380 D CA 0.115 54.084 54.000 -0.052 0.000 0.784 380 D CB 0.135 40.902 40.800 -0.054 0.000 1.413 380 D HN 0.377 nan 8.370 nan 0.000 0.583 381 D N -0.039 120.298 120.400 -0.106 0.000 2.269 381 D HA -0.100 4.540 4.640 -0.001 0.000 0.208 381 D C 0.295 176.486 176.300 -0.183 0.000 0.963 381 D CA 0.262 54.138 54.000 -0.206 0.000 0.864 381 D CB -0.021 40.711 40.800 -0.114 0.000 0.936 381 D HN 0.292 nan 8.370 nan 0.000 0.505 382 N N 0.487 119.125 118.700 -0.104 0.000 2.295 382 N HA -0.010 4.730 4.740 -0.001 0.000 0.221 382 N C -0.156 175.298 175.510 -0.094 0.000 1.129 382 N CA -0.316 52.681 53.050 -0.089 0.000 0.836 382 N CB 0.107 38.567 38.487 -0.046 0.000 1.040 382 N HN 0.044 nan 8.380 nan 0.000 0.494 383 N N 0.567 119.197 118.700 -0.117 0.000 2.411 383 N HA 0.062 4.802 4.740 -0.001 0.000 0.259 383 N C 1.124 176.571 175.510 -0.106 0.000 1.103 383 N CA 0.004 52.995 53.050 -0.098 0.000 0.954 383 N CB 1.231 39.661 38.487 -0.095 0.000 1.085 383 N HN 0.243 nan 8.380 nan 0.000 0.485 384 G N 3.960 112.708 108.800 -0.087 0.000 2.408 384 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.217 384 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.217 384 G C 1.526 176.375 174.900 -0.084 0.000 1.150 384 G CA 0.441 45.483 45.100 -0.097 0.000 0.776 384 G HN 0.692 nan 8.290 nan 0.000 0.542 385 I N -0.113 120.424 120.570 -0.056 0.000 2.406 385 I HA -0.048 4.121 4.170 -0.001 0.000 0.249 385 I C 2.731 178.851 176.117 0.006 0.000 1.122 385 I CA 0.846 62.135 61.300 -0.018 0.000 1.431 385 I CB -0.076 37.925 38.000 0.001 0.000 1.087 385 I HN 0.091 nan 8.210 nan 0.000 0.424 386 K N 0.585 120.969 120.400 -0.026 0.000 2.097 386 K HA -0.105 4.215 4.320 -0.001 0.000 0.205 386 K C 1.815 178.398 176.600 -0.029 0.000 1.050 386 K CA 1.060 57.329 56.287 -0.030 0.000 0.938 386 K CB -0.076 32.373 32.500 -0.086 0.000 0.718 386 K HN 0.257 nan 8.250 nan 0.000 0.442 387 N N 0.720 119.374 118.700 -0.077 0.000 2.216 387 N HA -0.137 4.602 4.740 -0.001 0.000 0.183 387 N C 1.671 177.323 175.510 0.238 0.000 1.017 387 N CA 0.793 53.821 53.050 -0.036 0.000 0.861 387 N CB -0.098 38.325 38.487 -0.108 0.000 0.986 387 N HN 0.162 nan 8.380 nan 0.000 0.428 388 R N 1.203 121.776 120.500 0.121 0.000 2.062 388 R HA -0.082 4.257 4.340 -0.001 0.000 0.231 388 R C 0.645 177.119 176.300 0.290 0.000 1.136 388 R CA 1.378 57.583 56.100 0.176 0.000 0.948 388 R CB -0.133 30.173 30.300 0.009 0.000 0.845 388 R HN 0.083 nan 8.270 nan 0.000 0.430 389 D N -0.553 119.980 120.400 0.222 0.000 2.178 389 D HA -0.072 4.568 4.640 -0.001 0.000 0.202 389 D C 1.699 178.147 176.300 0.247 0.000 0.974 389 D CA 1.407 55.546 54.000 0.232 0.000 0.841 389 D CB -0.468 40.439 40.800 0.178 0.000 0.953 389 D HN 0.499 nan 8.370 nan 0.000 0.478 390 G N 0.534 109.494 108.800 0.267 0.000 2.408 390 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 390 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 390 G C 1.523 176.579 174.900 0.260 0.000 1.150 390 G CA 0.158 45.460 45.100 0.336 0.000 0.776 390 G HN 0.194 nan 8.290 nan 0.000 0.542 391 L N 0.826 122.230 121.223 0.302 0.000 2.156 391 L HA 0.079 4.418 4.340 -0.001 0.000 0.208 391 L C 2.130 179.043 176.870 0.072 0.000 1.095 391 L CA 1.590 56.492 54.840 0.103 0.000 0.770 391 L CB -0.318 41.858 42.059 0.194 0.000 0.914 391 L HN 0.155 nan 8.230 nan 0.000 0.439 392 D N -0.685 119.817 120.400 0.171 0.000 2.117 392 D HA -0.187 4.453 4.640 -0.001 0.000 0.198 392 D C 1.534 177.912 176.300 0.130 0.000 0.982 392 D CA 1.069 55.169 54.000 0.167 0.000 0.828 392 D CB 0.167 41.114 40.800 0.246 0.000 0.967 392 D HN 0.309 nan 8.370 nan 0.000 0.464 393 D N 0.028 120.513 120.400 0.142 0.000 2.144 393 D HA -0.075 4.565 4.640 -0.001 0.000 0.200 393 D C 2.313 178.631 176.300 0.029 0.000 0.978 393 D CA 0.347 54.452 54.000 0.175 0.000 0.833 393 D CB -0.098 40.913 40.800 0.351 0.000 0.961 393 D HN 0.367 nan 8.370 nan 0.000 0.470 394 I N 0.490 120.913 120.570 -0.245 0.000 2.179 394 I HA -0.237 3.932 4.170 -0.001 0.000 0.242 394 I C 2.394 178.419 176.117 -0.153 0.000 1.088 394 I CA 0.733 61.843 61.300 -0.316 0.000 1.357 394 I CB -0.188 37.589 38.000 -0.371 0.000 1.051 394 I HN -0.105 nan 8.210 nan 0.000 0.409 395 V N 0.932 120.795 119.914 -0.086 0.000 2.358 395 V HA -0.185 3.935 4.120 -0.001 0.000 0.246 395 V C 2.559 178.615 176.094 -0.062 0.000 1.047 395 V CA 2.135 64.406 62.300 -0.048 0.000 1.035 395 V CB -1.409 30.441 31.823 0.045 0.000 0.658 395 V HN 0.571 nan 8.190 nan 0.000 0.452 396 G N -0.294 108.515 108.800 0.016 0.000 2.402 396 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.216 396 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.216 396 G C 1.220 176.098 174.900 -0.037 0.000 1.162 396 G CA 0.948 46.080 45.100 0.052 0.000 0.777 396 G HN 0.500 nan 8.290 nan 0.000 0.539 397 D N -0.243 120.123 120.400 -0.057 0.000 2.097 397 D HA -0.071 4.568 4.640 -0.001 0.000 0.197 397 D C 2.084 178.070 176.300 -0.523 0.000 0.984 397 D CA 1.229 55.154 54.000 -0.125 0.000 0.826 397 D CB -0.474 40.411 40.800 0.142 0.000 0.973 397 D HN 0.416 nan 8.370 nan 0.000 0.460 398 H N 0.849 119.304 119.070 -1.026 0.000 2.357 398 H HA 0.035 4.591 4.556 -0.001 0.000 0.301 398 H C 1.475 176.427 175.328 -0.625 0.000 1.082 398 H CA 1.671 56.958 56.048 -1.268 0.000 1.342 398 H CB 0.087 28.963 29.762 -1.477 0.000 1.389 398 H HN 0.001 nan 8.280 nan 0.000 0.511 399 N N -0.781 117.507 118.700 -0.686 0.000 2.409 399 N HA -0.001 4.739 4.740 -0.001 0.000 0.174 399 N C 1.168 176.464 175.510 -0.358 0.000 1.037 399 N CA 1.065 53.681 53.050 -0.723 0.000 0.898 399 N CB 1.072 38.754 38.487 -1.343 0.000 1.010 399 N HN 0.265 nan 8.380 nan 0.000 0.445 400 V N 0.660 120.452 119.914 -0.202 0.000 3.449 400 V HA 0.149 4.269 4.120 -0.001 0.000 0.208 400 V C 2.117 178.212 176.094 0.001 0.000 1.269 400 V CA -0.086 62.217 62.300 0.004 0.000 1.301 400 V CB 0.015 31.936 31.823 0.165 0.000 1.306 400 V HN -0.063 nan 8.190 nan 0.000 0.531 401 I N 0.704 121.290 120.570 0.027 0.000 2.091 401 I HA -0.338 3.831 4.170 -0.001 0.000 0.239 401 I C 2.613 178.752 176.117 0.037 0.000 1.061 401 I CA 2.130 63.465 61.300 0.057 0.000 1.317 401 I CB -0.514 37.556 38.000 0.118 0.000 1.031 401 I HN 0.410 nan 8.210 nan 0.000 0.401 402 c N 1.009 119.617 118.600 0.013 0.000 2.453 402 c HA -0.050 4.520 4.570 -0.001 0.000 0.277 402 c C 0.377 174.498 174.090 0.052 0.000 1.262 402 c CA 0.803 57.173 56.329 0.067 0.000 1.718 402 c CB -2.079 40.505 42.510 0.123 0.000 2.031 402 c HN 0.440 nan 8.230 nan 0.000 0.480 403 P HA -0.123 nan 4.420 nan 0.000 0.218 403 P C 1.691 179.019 177.300 0.047 0.000 1.149 403 P CA 1.302 64.379 63.100 -0.037 0.000 0.817 403 P CB -0.229 31.353 31.700 -0.197 0.000 0.785 404 L N -1.481 119.752 121.223 0.018 0.000 2.056 404 L HA -0.087 4.253 4.340 -0.001 0.000 0.207 404 L C 2.397 179.322 176.870 0.091 0.000 1.078 404 L CA 1.639 56.508 54.840 0.049 0.000 0.749 404 L CB -0.677 41.388 42.059 0.009 0.000 0.901 404 L HN -0.196 nan 8.230 nan 0.000 0.433 405 M N -1.032 118.612 119.600 0.074 0.000 2.279 405 M HA -0.201 4.278 4.480 -0.001 0.000 0.264 405 M C 2.204 178.575 176.300 0.119 0.000 1.062 405 M CA 1.524 56.865 55.300 0.068 0.000 1.099 405 M CB -1.467 31.189 32.600 0.094 0.000 1.394 405 M HN 0.444 nan 8.290 nan 0.000 0.426 406 H N -0.260 118.853 119.070 0.071 0.000 2.333 406 H HA -0.145 4.411 4.556 -0.001 0.000 0.302 406 H C 1.808 177.186 175.328 0.083 0.000 1.075 406 H CA 1.883 57.980 56.048 0.081 0.000 1.348 406 H CB -0.387 29.419 29.762 0.073 0.000 1.393 406 H HN 0.235 nan 8.280 nan 0.000 0.509 407 F N 0.393 120.308 119.950 -0.058 0.000 2.126 407 F HA -0.178 4.348 4.527 -0.001 0.000 0.299 407 F C 2.101 177.819 175.800 -0.136 0.000 1.096 407 F CA 1.455 59.375 58.000 -0.133 0.000 1.255 407 F CB -0.673 38.254 39.000 -0.123 0.000 0.997 407 F HN 0.071 nan 8.300 nan 0.000 0.479 408 V N 1.102 120.903 119.914 -0.189 0.000 2.261 408 V HA -0.346 3.773 4.120 -0.001 0.000 0.246 408 V C 2.301 178.236 176.094 -0.265 0.000 1.047 408 V CA 2.319 64.404 62.300 -0.358 0.000 1.015 408 V CB -0.888 30.668 31.823 -0.444 0.000 0.642 408 V HN 0.413 nan 8.190 nan 0.000 0.446 409 N N 0.074 118.713 118.700 -0.101 0.000 2.188 409 N HA -0.133 4.607 4.740 -0.001 0.000 0.184 409 N C 1.812 177.305 175.510 -0.028 0.000 1.018 409 N CA 1.024 54.108 53.050 0.056 0.000 0.858 409 N CB -0.142 38.407 38.487 0.103 0.000 0.989 409 N HN 0.441 nan 8.380 nan 0.000 0.426 410 K N 0.442 120.742 120.400 -0.166 0.000 2.062 410 K HA -0.090 4.229 4.320 -0.001 0.000 0.205 410 K C 1.905 178.488 176.600 -0.027 0.000 1.051 410 K CA 0.617 56.839 56.287 -0.109 0.000 0.941 410 K CB -0.808 31.563 32.500 -0.216 0.000 0.719 410 K HN 0.304 nan 8.250 nan 0.000 0.440 411 Y N 2.510 122.559 120.300 -0.419 0.000 2.163 411 Y HA -0.189 4.361 4.550 -0.001 0.000 0.288 411 Y C 2.184 178.046 175.900 -0.063 0.000 1.136 411 Y CA 1.839 59.660 58.100 -0.467 0.000 1.147 411 Y CB -0.350 37.491 38.460 -1.032 0.000 0.987 411 Y HN 0.011 nan 8.280 nan 0.000 0.509 412 T N 0.532 115.113 114.554 0.044 0.000 2.778 412 T HA -0.250 4.100 4.350 -0.001 0.000 0.269 412 T C 1.828 176.534 174.700 0.011 0.000 1.050 412 T CA 1.752 63.911 62.100 0.099 0.000 1.137 412 T CB -0.261 68.763 68.868 0.260 0.000 0.860 412 T HN 0.283 nan 8.240 nan 0.000 0.468 413 K N -0.201 120.187 120.400 -0.021 0.000 2.097 413 K HA -0.047 4.273 4.320 -0.001 0.000 0.206 413 K C 1.231 177.611 176.600 -0.367 0.000 1.049 413 K CA 1.356 57.528 56.287 -0.191 0.000 0.933 413 K CB -0.085 32.275 32.500 -0.235 0.000 0.717 413 K HN 0.378 nan 8.250 nan 0.000 0.442 414 F N -0.500 119.402 119.950 -0.080 0.000 2.724 414 F HA 0.255 4.781 4.527 -0.001 0.000 0.306 414 F C 1.376 177.066 175.800 -0.184 0.000 1.100 414 F CA -0.284 57.638 58.000 -0.131 0.000 1.255 414 F CB 0.184 39.065 39.000 -0.198 0.000 1.072 414 F HN -0.035 nan 8.300 nan 0.000 0.589 415 G N 0.023 108.742 108.800 -0.136 0.000 2.631 415 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.271 415 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.271 415 G C 0.405 175.318 174.900 0.022 0.000 1.302 415 G CA -0.242 44.745 45.100 -0.188 0.000 1.002 415 G HN 0.335 nan 8.290 nan 0.000 0.519 416 N N -0.973 117.800 118.700 0.122 0.000 2.197 416 N HA 0.299 5.038 4.740 -0.001 0.000 0.228 416 N C 0.224 175.807 175.510 0.123 0.000 1.212 416 N CA 0.397 53.508 53.050 0.102 0.000 0.883 416 N CB 0.551 39.096 38.487 0.098 0.000 1.107 416 N HN 0.870 nan 8.380 nan 0.000 0.519 417 G N 0.700 109.591 108.800 0.152 0.000 2.088 417 G HA2 0.049 4.009 3.960 -0.001 0.000 0.222 417 G HA3 0.049 4.009 3.960 -0.001 0.000 0.222 417 G C -1.287 173.680 174.900 0.112 0.000 1.690 417 G CA -0.674 44.490 45.100 0.106 0.000 0.923 417 G HN -0.003 nan 8.290 nan 0.000 0.730 418 T N 1.555 116.055 114.554 -0.091 0.000 2.861 418 T HA 0.684 5.034 4.350 -0.001 0.000 0.287 418 T C -1.305 173.150 174.700 -0.409 0.000 1.003 418 T CA -0.368 61.672 62.100 -0.100 0.000 0.977 418 T CB 1.427 70.298 68.868 0.005 0.000 0.996 418 T HN 0.418 nan 8.240 nan 0.000 0.448 419 Y N 1.966 122.185 120.300 -0.134 0.000 2.329 419 Y HA 0.615 5.165 4.550 -0.001 0.000 0.328 419 Y C -0.555 175.407 175.900 0.103 0.000 0.992 419 Y CA -1.052 56.910 58.100 -0.229 0.000 1.151 419 Y CB 1.454 39.333 38.460 -0.968 0.000 1.150 419 Y HN 0.440 nan 8.280 nan 0.000 0.450 420 L N 5.914 127.490 121.223 0.589 0.000 2.317 420 L HA 0.626 4.966 4.340 -0.001 0.000 0.281 420 L C -1.136 176.211 176.870 0.795 0.000 1.024 420 L CA -0.928 54.219 54.840 0.511 0.000 0.810 420 L CB 0.677 42.893 42.059 0.262 0.000 1.240 420 L HN 0.529 nan 8.230 nan 0.000 0.427 421 Y N 3.004 123.622 120.300 0.531 0.000 2.602 421 Y HA 0.713 5.263 4.550 -0.001 0.000 0.342 421 Y C -1.678 174.493 175.900 0.452 0.000 1.029 421 Y CA -1.978 56.368 58.100 0.409 0.000 1.080 421 Y CB 1.315 39.959 38.460 0.307 0.000 1.284 421 Y HN 0.506 nan 8.280 nan 0.000 0.485 422 F N 4.016 124.287 119.950 0.536 0.000 2.676 422 F HA 0.415 4.942 4.527 -0.001 0.000 0.371 422 F C -1.739 174.344 175.800 0.471 0.000 1.141 422 F CA -1.684 56.553 58.000 0.394 0.000 1.133 422 F CB 0.433 39.638 39.000 0.341 0.000 1.376 422 F HN 0.564 nan 8.300 nan 0.000 0.491 423 F N 7.233 127.286 119.950 0.171 0.000 2.487 423 F HA 0.225 4.752 4.527 -0.001 0.000 0.364 423 F C 0.479 176.147 175.800 -0.220 0.000 1.126 423 F CA -0.013 58.017 58.000 0.049 0.000 1.135 423 F CB 0.369 39.464 39.000 0.157 0.000 1.127 423 F HN 0.526 nan 8.300 nan 0.000 0.559 424 N N 3.519 121.904 118.700 -0.524 0.000 2.497 424 N HA 0.083 4.822 4.740 -0.001 0.000 0.284 424 N C -1.223 174.082 175.510 -0.342 0.000 1.459 424 N CA -0.504 52.324 53.050 -0.370 0.000 0.899 424 N CB -0.528 37.915 38.487 -0.074 0.000 1.316 424 N HN 0.607 nan 8.380 nan 0.000 0.500 425 H N 0.255 118.833 119.070 -0.821 0.000 2.481 425 H HA 0.472 5.028 4.556 -0.001 0.000 0.333 425 H C -0.705 174.451 175.328 -0.287 0.000 1.066 425 H CA -0.670 55.049 56.048 -0.549 0.000 1.209 425 H CB 1.243 30.593 29.762 -0.687 0.000 1.445 425 H HN 0.110 nan 8.280 nan 0.000 0.488 426 R N 3.931 124.024 120.500 -0.677 0.000 2.221 426 R HA 0.536 4.876 4.340 -0.001 0.000 0.327 426 R C -0.668 175.393 176.300 -0.398 0.000 1.033 426 R CA -0.695 55.188 56.100 -0.361 0.000 0.887 426 R CB 0.448 30.617 30.300 -0.217 0.000 1.057 426 R HN 0.800 nan 8.270 nan 0.000 0.455 427 A N 3.051 125.892 122.820 0.035 0.000 2.524 427 A HA 0.027 4.347 4.320 -0.001 0.000 0.250 427 A C 1.310 178.933 177.584 0.065 0.000 1.078 427 A CA 0.371 52.566 52.037 0.263 0.000 0.761 427 A CB 0.330 19.615 19.000 0.474 0.000 1.012 427 A HN 1.017 nan 8.150 nan 0.000 0.500 428 S N 2.080 117.832 115.700 0.086 0.000 2.419 428 S HA -0.183 4.286 4.470 -0.001 0.000 0.233 428 S C 1.077 175.642 174.600 -0.058 0.000 1.016 428 S CA 1.225 59.432 58.200 0.011 0.000 0.974 428 S CB -0.388 62.843 63.200 0.052 0.000 0.786 428 S HN 0.928 nan 8.310 nan 0.000 0.492 429 N N 0.771 119.395 118.700 -0.127 0.000 2.235 429 N HA 0.138 4.878 4.740 -0.001 0.000 0.209 429 N C -0.049 175.356 175.510 -0.175 0.000 1.122 429 N CA -0.411 52.516 53.050 -0.204 0.000 0.845 429 N CB -0.447 37.809 38.487 -0.385 0.000 1.004 429 N HN 0.339 nan 8.380 nan 0.000 0.499 430 L N 2.420 123.578 121.223 -0.109 0.000 2.534 430 L HA 0.014 4.354 4.340 -0.001 0.000 0.271 430 L C 1.394 178.187 176.870 -0.129 0.000 1.178 430 L CA 0.006 54.781 54.840 -0.109 0.000 0.907 430 L CB 0.734 42.732 42.059 -0.101 0.000 1.164 430 L HN 0.120 nan 8.230 nan 0.000 0.482 431 V N 2.411 122.205 119.914 -0.199 0.000 2.970 431 V HA -0.013 4.106 4.120 -0.001 0.000 0.260 431 V C 0.824 176.871 176.094 -0.079 0.000 1.100 431 V CA -0.088 62.086 62.300 -0.209 0.000 1.122 431 V CB -1.394 30.158 31.823 -0.451 0.000 0.721 431 V HN 0.671 nan 8.190 nan 0.000 0.483 432 W N 1.686 122.944 121.300 -0.070 0.000 2.161 432 W HA 0.469 5.129 4.660 -0.001 0.000 0.344 432 W C -1.697 174.680 176.519 -0.236 0.000 1.262 432 W CA -2.130 55.128 57.345 -0.145 0.000 1.270 432 W CB -0.218 29.015 29.460 -0.379 0.000 1.126 432 W HN 0.004 nan 8.180 nan 0.000 0.598 433 P HA -0.076 nan 4.420 nan 0.000 0.269 433 P C 0.366 177.558 177.300 -0.180 0.000 1.209 433 P CA 0.364 63.410 63.100 -0.090 0.000 0.776 433 P CB 0.935 32.615 31.700 -0.034 0.000 0.876 434 E N 1.915 122.092 120.200 -0.038 0.000 2.160 434 E HA -0.167 4.182 4.350 -0.001 0.000 0.195 434 E C 1.854 178.467 176.600 0.023 0.000 0.991 434 E CA 1.409 57.802 56.400 -0.012 0.000 0.810 434 E CB -0.495 29.232 29.700 0.046 0.000 0.742 434 E HN 0.734 nan 8.360 nan 0.000 0.466 435 W N 0.202 121.520 121.300 0.030 0.000 2.421 435 W HA -0.058 4.602 4.660 -0.001 0.000 0.270 435 W C 1.462 178.008 176.519 0.046 0.000 1.233 435 W CA 0.416 57.790 57.345 0.048 0.000 1.226 435 W CB -0.740 28.762 29.460 0.069 0.000 1.121 435 W HN -0.014 nan 8.180 nan 0.000 0.579 436 M N 1.202 120.447 119.600 -0.592 0.000 2.492 436 M HA 0.134 4.614 4.480 -0.001 0.000 0.262 436 M C 1.813 177.958 176.300 -0.258 0.000 1.090 436 M CA 1.489 56.396 55.300 -0.655 0.000 1.110 436 M CB -0.631 31.361 32.600 -1.014 0.000 1.407 436 M HN 0.151 nan 8.290 nan 0.000 0.470 437 G N 0.638 109.345 108.800 -0.154 0.000 2.574 437 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.286 437 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.286 437 G C -0.125 174.726 174.900 -0.081 0.000 1.212 437 G CA -0.161 44.898 45.100 -0.069 0.000 0.979 437 G HN 0.217 nan 8.290 nan 0.000 0.557 438 V N 2.137 122.043 119.914 -0.015 0.000 2.276 438 V HA 0.356 4.476 4.120 -0.001 0.000 0.249 438 V C 1.130 177.291 176.094 0.111 0.000 1.160 438 V CA 0.062 62.395 62.300 0.056 0.000 1.042 438 V CB -0.346 31.504 31.823 0.045 0.000 1.224 438 V HN 0.517 nan 8.190 nan 0.000 0.496 439 I N 2.723 123.334 120.570 0.068 0.000 2.836 439 I HA 0.090 4.260 4.170 -0.001 0.000 0.285 439 I C 0.954 177.300 176.117 0.381 0.000 1.174 439 I CA -0.402 60.955 61.300 0.094 0.000 1.405 439 I CB 0.137 37.987 38.000 -0.251 0.000 1.385 439 I HN 0.565 nan 8.210 nan 0.000 0.594 440 H N 4.418 123.653 119.070 0.276 0.000 3.184 440 H HA 0.223 4.779 4.556 -0.001 0.000 0.274 440 H C 0.891 176.385 175.328 0.278 0.000 0.962 440 H CA 1.030 57.255 56.048 0.295 0.000 1.441 440 H CB -0.104 29.845 29.762 0.311 0.000 1.518 440 H HN 0.774 nan 8.280 nan 0.000 0.539 441 G N 3.789 112.568 108.800 -0.034 0.000 2.179 441 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.220 441 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.220 441 G C 0.314 175.266 174.900 0.087 0.000 0.990 441 G CA 0.172 45.228 45.100 -0.073 0.000 0.646 441 G HN 0.609 nan 8.290 nan 0.000 0.517 442 Y N 1.519 121.998 120.300 0.299 0.000 2.596 442 Y HA 0.298 4.848 4.550 -0.001 0.000 0.316 442 Y C 2.087 178.146 175.900 0.265 0.000 1.156 442 Y CA 0.766 59.078 58.100 0.352 0.000 1.300 442 Y CB 0.461 39.142 38.460 0.369 0.000 1.130 442 Y HN 0.491 nan 8.280 nan 0.000 0.518 443 E N -0.646 119.564 120.200 0.017 0.000 2.465 443 E HA 0.008 4.357 4.350 -0.001 0.000 0.209 443 E C 1.542 178.089 176.600 -0.089 0.000 0.951 443 E CA 0.424 56.505 56.400 -0.532 0.000 0.997 443 E CB -0.450 28.632 29.700 -1.031 0.000 1.025 443 E HN 0.517 nan 8.360 nan 0.000 0.500 444 I N 2.853 123.467 120.570 0.074 0.000 2.208 444 I HA -0.313 3.857 4.170 -0.001 0.000 0.245 444 I C 2.598 178.777 176.117 0.103 0.000 1.097 444 I CA 2.223 63.611 61.300 0.147 0.000 1.363 444 I CB -0.471 37.663 38.000 0.223 0.000 1.051 444 I HN 0.221 nan 8.210 nan 0.000 0.413 445 E N 0.921 121.139 120.200 0.030 0.000 2.209 445 E HA -0.228 4.122 4.350 -0.001 0.000 0.196 445 E C 1.971 178.401 176.600 -0.283 0.000 0.993 445 E CA 1.457 57.777 56.400 -0.133 0.000 0.819 445 E CB -0.487 29.128 29.700 -0.143 0.000 0.745 445 E HN 0.449 nan 8.360 nan 0.000 0.477 446 F N 0.969 120.830 119.950 -0.148 0.000 2.335 446 F HA 0.001 4.527 4.527 -0.001 0.000 0.296 446 F C 2.293 177.916 175.800 -0.296 0.000 1.091 446 F CA 0.410 58.282 58.000 -0.213 0.000 1.399 446 F CB -0.087 38.825 39.000 -0.147 0.000 1.067 446 F HN -0.130 nan 8.300 nan 0.000 0.520 447 V N -1.008 118.816 119.914 -0.151 0.000 2.453 447 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 447 V C 1.616 177.520 176.094 -0.316 0.000 1.048 447 V CA 1.557 63.624 62.300 -0.388 0.000 1.049 447 V CB -0.605 31.029 31.823 -0.316 0.000 0.672 447 V HN 0.192 nan 8.190 nan 0.000 0.457 448 F N 0.645 120.462 119.950 -0.222 0.000 2.773 448 F HA 0.399 4.925 4.527 -0.001 0.000 0.304 448 F C 1.800 177.513 175.800 -0.145 0.000 1.129 448 F CA 0.546 58.447 58.000 -0.166 0.000 1.378 448 F CB -0.452 38.437 39.000 -0.184 0.000 1.095 448 F HN 0.260 nan 8.300 nan 0.000 0.565 449 G N 0.407 109.129 108.800 -0.131 0.000 2.225 449 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.267 449 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.267 449 G C 1.151 175.755 174.900 -0.494 0.000 1.024 449 G CA 0.349 45.298 45.100 -0.251 0.000 0.784 449 G HN 0.275 nan 8.290 nan 0.000 0.507 450 L N -0.290 120.612 121.223 -0.536 0.000 2.079 450 L HA -0.058 4.281 4.340 -0.001 0.000 0.210 450 L C 0.363 176.762 176.870 -0.784 0.000 1.081 450 L CA 2.567 57.018 54.840 -0.648 0.000 0.752 450 L CB -1.904 39.891 42.059 -0.440 0.000 0.896 450 L HN 0.202 nan 8.230 nan 0.000 0.433 451 P HA -0.121 nan 4.420 nan 0.000 0.223 451 P C 1.975 179.011 177.300 -0.440 0.000 1.144 451 P CA 0.880 63.357 63.100 -1.039 0.000 0.783 451 P CB 0.074 31.194 31.700 -0.968 0.000 0.771 452 L N -2.038 118.940 121.223 -0.408 0.000 2.217 452 L HA -0.016 4.324 4.340 -0.001 0.000 0.211 452 L C 0.669 177.409 176.870 -0.217 0.000 1.107 452 L CA 0.573 55.261 54.840 -0.254 0.000 0.783 452 L CB -0.650 41.280 42.059 -0.214 0.000 0.919 452 L HN -0.208 nan 8.230 nan 0.000 0.442 453 V N 1.872 121.601 119.914 -0.307 0.000 2.381 453 V HA -0.033 4.086 4.120 -0.001 0.000 0.257 453 V C 1.525 177.570 176.094 -0.082 0.000 1.057 453 V CA 0.120 62.301 62.300 -0.197 0.000 1.013 453 V CB 0.765 32.433 31.823 -0.258 0.000 1.069 453 V HN 0.313 nan 8.190 nan 0.000 0.484 454 K N 3.944 124.313 120.400 -0.050 0.000 2.113 454 K HA -0.238 4.082 4.320 -0.001 0.000 0.208 454 K C 1.461 178.053 176.600 -0.013 0.000 1.047 454 K CA 2.098 58.374 56.287 -0.019 0.000 0.928 454 K CB 0.180 32.668 32.500 -0.020 0.000 0.716 454 K HN 0.712 nan 8.250 nan 0.000 0.446 455 E N 0.550 120.735 120.200 -0.025 0.000 2.510 455 E HA -0.101 4.249 4.350 -0.001 0.000 0.202 455 E C 1.116 177.693 176.600 -0.039 0.000 1.072 455 E CA 0.578 56.959 56.400 -0.031 0.000 0.883 455 E CB 0.025 29.706 29.700 -0.031 0.000 0.818 455 E HN 0.378 nan 8.360 nan 0.000 0.548 456 L N 0.347 121.561 121.223 -0.015 0.000 2.628 456 L HA 0.134 4.473 4.340 -0.001 0.000 0.229 456 L C -0.145 176.633 176.870 -0.152 0.000 1.137 456 L CA -0.272 54.548 54.840 -0.034 0.000 0.909 456 L CB -0.172 41.953 42.059 0.110 0.000 1.137 456 L HN 0.083 nan 8.230 nan 0.000 0.470 457 N N -1.016 117.627 118.700 -0.094 0.000 2.747 457 N HA -0.238 4.501 4.740 -0.001 0.000 0.249 457 N C -0.575 174.833 175.510 -0.170 0.000 1.107 457 N CA 0.954 53.926 53.050 -0.130 0.000 0.707 457 N CB -1.855 36.532 38.487 -0.168 0.000 1.054 457 N HN 0.319 nan 8.380 nan 0.000 0.555 458 Y N 0.376 120.640 120.300 -0.060 0.000 2.374 458 Y HA 0.345 4.895 4.550 -0.001 0.000 0.322 458 Y C 1.866 177.761 175.900 -0.008 0.000 1.275 458 Y CA -0.082 57.996 58.100 -0.037 0.000 1.307 458 Y CB 0.706 39.113 38.460 -0.088 0.000 1.282 458 Y HN 0.094 nan 8.280 nan 0.000 0.509 459 T N -1.872 112.810 114.554 0.213 0.000 2.788 459 T HA 0.457 4.807 4.350 -0.001 0.000 0.280 459 T C 1.168 175.931 174.700 0.106 0.000 0.984 459 T CA -0.250 61.929 62.100 0.131 0.000 0.972 459 T CB 1.130 70.077 68.868 0.132 0.000 1.039 459 T HN 0.743 nan 8.240 nan 0.000 0.530 460 A N 0.922 123.781 122.820 0.064 0.000 1.873 460 A HA -0.074 4.245 4.320 -0.001 0.000 0.215 460 A C 2.327 179.930 177.584 0.032 0.000 1.186 460 A CA 1.370 53.428 52.037 0.036 0.000 0.616 460 A CB -0.857 18.157 19.000 0.023 0.000 0.823 460 A HN 0.956 nan 8.150 nan 0.000 0.442 461 E N 0.600 120.824 120.200 0.039 0.000 2.204 461 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 461 E C 1.389 178.002 176.600 0.023 0.000 0.989 461 E CA 1.324 57.733 56.400 0.014 0.000 0.824 461 E CB -0.563 29.137 29.700 0.000 0.000 0.756 461 E HN 0.788 nan 8.360 nan 0.000 0.477 462 E N 0.851 121.113 120.200 0.103 0.000 2.274 462 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 462 E C 2.012 178.675 176.600 0.104 0.000 0.996 462 E CA 0.701 57.236 56.400 0.226 0.000 0.840 462 E CB 0.059 30.010 29.700 0.419 0.000 0.772 462 E HN 0.426 nan 8.360 nan 0.000 0.491 463 E N 0.792 120.999 120.200 0.012 0.000 2.076 463 E HA -0.104 4.245 4.350 -0.001 0.000 0.190 463 E C 2.028 178.603 176.600 -0.043 0.000 0.979 463 E CA 0.768 57.128 56.400 -0.067 0.000 0.807 463 E CB 0.012 29.677 29.700 -0.059 0.000 0.761 463 E HN 0.175 nan 8.360 nan 0.000 0.454 464 A N 1.237 124.044 122.820 -0.021 0.000 1.933 464 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 464 A C 2.116 179.680 177.584 -0.034 0.000 1.175 464 A CA 1.207 53.223 52.037 -0.034 0.000 0.628 464 A CB -0.578 18.405 19.000 -0.029 0.000 0.814 464 A HN 0.391 nan 8.150 nan 0.000 0.444 465 L N -0.243 120.980 121.223 -0.001 0.000 2.027 465 L HA -0.068 4.271 4.340 -0.001 0.000 0.206 465 L C 2.577 179.482 176.870 0.058 0.000 1.074 465 L CA 2.640 57.487 54.840 0.013 0.000 0.745 465 L CB -0.940 41.116 42.059 -0.004 0.000 0.898 465 L HN 0.334 nan 8.230 nan 0.000 0.433 466 S N -0.641 115.137 115.700 0.131 0.000 2.370 466 S HA -0.230 4.239 4.470 -0.001 0.000 0.226 466 S C 2.204 176.763 174.600 -0.068 0.000 1.033 466 S CA 1.478 59.707 58.200 0.049 0.000 1.011 466 S CB -0.278 62.849 63.200 -0.121 0.000 0.852 466 S HN 0.549 nan 8.310 nan 0.000 0.457 467 R N 0.023 120.478 120.500 -0.074 0.000 2.115 467 R HA 0.090 4.429 4.340 -0.001 0.000 0.230 467 R C 2.750 178.988 176.300 -0.104 0.000 1.111 467 R CA 1.135 57.185 56.100 -0.083 0.000 0.976 467 R CB -0.226 30.024 30.300 -0.082 0.000 0.870 467 R HN 0.364 nan 8.270 nan 0.000 0.445 468 R N 0.628 121.042 120.500 -0.143 0.000 2.073 468 R HA -0.012 4.328 4.340 -0.001 0.000 0.229 468 R C 2.167 178.242 176.300 -0.376 0.000 1.120 468 R CA 1.136 57.060 56.100 -0.294 0.000 0.967 468 R CB -0.052 30.102 30.300 -0.244 0.000 0.862 468 R HN 0.159 nan 8.270 nan 0.000 0.436 469 I N 0.228 120.704 120.570 -0.157 0.000 2.202 469 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 469 I C 2.412 178.456 176.117 -0.122 0.000 1.091 469 I CA 1.249 62.485 61.300 -0.107 0.000 1.368 469 I CB -0.182 37.623 38.000 -0.325 0.000 1.058 469 I HN 0.253 nan 8.210 nan 0.000 0.410 470 M N -0.421 119.082 119.600 -0.162 0.000 2.149 470 M HA -0.287 4.193 4.480 -0.001 0.000 0.261 470 M C 2.384 178.719 176.300 0.058 0.000 1.064 470 M CA 1.889 57.125 55.300 -0.106 0.000 1.102 470 M CB -0.714 31.829 32.600 -0.096 0.000 1.369 470 M HN 0.287 nan 8.290 nan 0.000 0.408 471 H N -0.772 118.278 119.070 -0.033 0.000 2.428 471 H HA -0.124 4.432 4.556 -0.001 0.000 0.296 471 H C 1.523 176.957 175.328 0.176 0.000 1.062 471 H CA 1.716 57.769 56.048 0.009 0.000 1.350 471 H CB 0.149 29.858 29.762 -0.087 0.000 1.403 471 H HN 0.265 nan 8.280 nan 0.000 0.533 472 Y N -0.815 119.677 120.300 0.319 0.000 2.133 472 Y HA -0.243 4.306 4.550 -0.001 0.000 0.287 472 Y C 2.422 178.539 175.900 0.363 0.000 1.134 472 Y CA 0.955 59.292 58.100 0.395 0.000 1.133 472 Y CB -1.044 37.841 38.460 0.708 0.000 0.987 472 Y HN 0.367 nan 8.280 nan 0.000 0.502 473 W N -0.411 120.996 121.300 0.178 0.000 2.335 473 W HA -0.254 4.406 4.660 -0.001 0.000 0.311 473 W C 2.594 179.110 176.519 -0.005 0.000 1.213 473 W CA 1.245 58.622 57.345 0.053 0.000 1.274 473 W CB -0.568 28.863 29.460 -0.049 0.000 1.148 473 W HN 0.065 nan 8.180 nan 0.000 0.498 474 A N -0.004 122.910 122.820 0.157 0.000 1.898 474 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 474 A C 1.824 179.362 177.584 -0.077 0.000 1.181 474 A CA 2.250 54.277 52.037 -0.017 0.000 0.620 474 A CB -1.214 17.738 19.000 -0.079 0.000 0.819 474 A HN 0.206 nan 8.150 nan 0.000 0.442 475 T N -0.792 113.682 114.554 -0.134 0.000 2.821 475 T HA -0.096 4.254 4.350 -0.001 0.000 0.267 475 T C 1.581 176.239 174.700 -0.070 0.000 1.046 475 T CA 1.478 63.490 62.100 -0.146 0.000 1.139 475 T CB -0.362 68.406 68.868 -0.167 0.000 0.871 475 T HN 0.517 nan 8.240 nan 0.000 0.454 476 F N 2.289 122.147 119.950 -0.152 0.000 2.146 476 F HA 0.092 4.619 4.527 -0.001 0.000 0.298 476 F C 2.412 178.124 175.800 -0.147 0.000 1.096 476 F CA 0.942 58.815 58.000 -0.211 0.000 1.275 476 F CB -0.615 38.197 39.000 -0.313 0.000 1.008 476 F HN 0.127 nan 8.300 nan 0.000 0.480 477 A N 0.396 123.126 122.820 -0.151 0.000 1.933 477 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 477 A C 2.330 179.779 177.584 -0.225 0.000 1.175 477 A CA 1.923 53.836 52.037 -0.206 0.000 0.628 477 A CB -0.841 18.121 19.000 -0.064 0.000 0.814 477 A HN 0.515 nan 8.150 nan 0.000 0.444 478 K N -0.937 119.360 120.400 -0.172 0.000 2.062 478 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 478 K C 2.042 178.548 176.600 -0.157 0.000 1.051 478 K CA 1.913 58.120 56.287 -0.133 0.000 0.941 478 K CB -0.109 32.333 32.500 -0.097 0.000 0.719 478 K HN 0.624 nan 8.250 nan 0.000 0.440 479 T N -4.948 109.487 114.554 -0.199 0.000 3.026 479 T HA 0.262 4.611 4.350 -0.001 0.000 0.245 479 T C 1.252 175.806 174.700 -0.243 0.000 1.004 479 T CA 0.633 62.626 62.100 -0.177 0.000 1.069 479 T CB 0.861 69.658 68.868 -0.120 0.000 1.005 479 T HN 0.321 nan 8.240 nan 0.000 0.472 480 G N 1.285 109.828 108.800 -0.428 0.000 2.175 480 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.182 480 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.182 480 G C -0.267 174.522 174.900 -0.185 0.000 1.003 480 G CA -0.061 44.730 45.100 -0.515 0.000 0.666 480 G HN 0.811 nan 8.290 nan 0.000 0.506 481 N N 0.133 118.728 118.700 -0.175 0.000 2.454 481 N HA 0.462 5.202 4.740 -0.001 0.000 0.291 481 N C -1.592 173.781 175.510 -0.228 0.000 1.079 481 N CA -1.593 51.329 53.050 -0.214 0.000 0.893 481 N CB 2.726 41.173 38.487 -0.067 0.000 1.512 481 N HN -0.061 nan 8.380 nan 0.000 0.497 482 P HA -0.053 nan 4.420 nan 0.000 0.226 482 P C -0.488 176.882 177.300 0.117 0.000 1.153 482 P CA 0.594 63.609 63.100 -0.141 0.000 0.777 482 P CB 0.334 31.746 31.700 -0.480 0.000 0.794 483 N N 1.602 120.311 118.700 0.015 0.000 2.514 483 N HA 0.089 4.828 4.740 -0.001 0.000 0.277 483 N C 0.095 175.681 175.510 0.127 0.000 1.126 483 N CA -0.014 53.133 53.050 0.162 0.000 0.978 483 N CB 0.750 39.318 38.487 0.136 0.000 1.106 483 N HN 0.039 nan 8.380 nan 0.000 0.461 484 E N 3.047 123.357 120.200 0.182 0.000 2.324 484 E HA 0.129 4.479 4.350 -0.001 0.000 0.271 484 E C -2.161 174.486 176.600 0.078 0.000 1.028 484 E CA -1.462 55.024 56.400 0.142 0.000 0.890 484 E CB 0.451 30.263 29.700 0.186 0.000 1.004 484 E HN 0.308 nan 8.360 nan 0.000 0.431 485 P HA -0.033 nan 4.420 nan 0.000 0.267 485 P C -0.846 176.432 177.300 -0.037 0.000 1.209 485 P CA 0.268 63.304 63.100 -0.107 0.000 0.763 485 P CB 0.389 31.995 31.700 -0.157 0.000 0.816 486 H N -1.737 117.370 119.070 0.063 0.000 2.770 486 H HA -0.132 4.423 4.556 -0.001 0.000 0.309 486 H C 0.425 175.787 175.328 0.057 0.000 1.206 486 H CA 0.883 56.964 56.048 0.054 0.000 1.147 486 H CB -2.036 27.751 29.762 0.043 0.000 1.422 486 H HN 0.459 nan 8.280 nan 0.000 0.420 487 S N -0.533 115.264 115.700 0.162 0.000 2.672 487 S HA 0.299 4.769 4.470 -0.001 0.000 0.276 487 S C 1.303 175.970 174.600 0.112 0.000 1.207 487 S CA -0.555 57.720 58.200 0.125 0.000 1.002 487 S CB 1.313 64.587 63.200 0.123 0.000 0.998 487 S HN 0.295 nan 8.310 nan 0.000 0.542 488 Q N 0.802 120.654 119.800 0.086 0.000 2.392 488 Q HA 0.238 4.578 4.340 -0.001 0.000 0.203 488 Q C -0.005 176.040 176.000 0.075 0.000 0.917 488 Q CA 0.310 56.156 55.803 0.072 0.000 0.939 488 Q CB 0.067 28.836 28.738 0.051 0.000 1.063 488 Q HN 0.608 nan 8.270 nan 0.000 0.516 489 E N 0.954 121.207 120.200 0.089 0.000 2.397 489 E HA 0.161 4.511 4.350 -0.001 0.000 0.254 489 E C -0.088 176.585 176.600 0.122 0.000 1.231 489 E CA -0.120 56.339 56.400 0.099 0.000 0.954 489 E CB 0.458 30.225 29.700 0.113 0.000 1.024 489 E HN -0.111 nan 8.360 nan 0.000 0.481 490 S N 1.216 116.994 115.700 0.130 0.000 2.549 490 S HA 0.107 4.576 4.470 -0.001 0.000 0.279 490 S C 0.166 174.879 174.600 0.189 0.000 1.321 490 S CA -0.409 57.871 58.200 0.133 0.000 1.054 490 S CB 0.407 63.673 63.200 0.109 0.000 0.899 490 S HN 0.140 nan 8.310 nan 0.000 0.497 491 K N 2.163 122.668 120.400 0.175 0.000 2.201 491 K HA 0.146 4.465 4.320 -0.001 0.000 0.278 491 K C -0.467 176.303 176.600 0.283 0.000 1.027 491 K CA -0.462 55.960 56.287 0.224 0.000 0.909 491 K CB 0.577 33.186 32.500 0.182 0.000 1.062 491 K HN 0.687 nan 8.250 nan 0.000 0.465 492 W N 6.308 127.669 121.300 0.101 0.000 2.437 492 W HA 0.224 4.884 4.660 -0.001 0.000 0.312 492 W C -2.336 174.307 176.519 0.206 0.000 1.242 492 W CA -2.743 54.660 57.345 0.098 0.000 1.340 492 W CB -0.242 29.191 29.460 -0.045 0.000 1.327 492 W HN 0.381 nan 8.180 nan 0.000 0.476 493 P HA -0.046 nan 4.420 nan 0.000 0.268 493 P C -0.510 176.969 177.300 0.299 0.000 1.208 493 P CA -0.221 63.095 63.100 0.360 0.000 0.777 493 P CB 0.617 32.461 31.700 0.240 0.000 0.875 494 L N 3.823 125.082 121.223 0.061 0.000 2.349 494 L HA 0.386 4.725 4.340 -0.001 0.000 0.275 494 L C -0.680 176.155 176.870 -0.058 0.000 1.115 494 L CA -0.432 54.254 54.840 -0.256 0.000 0.820 494 L CB -0.296 41.631 42.059 -0.221 0.000 1.135 494 L HN 0.166 nan 8.230 nan 0.000 0.445 495 F N 4.682 124.510 119.950 -0.203 0.000 2.444 495 F HA 0.470 4.996 4.527 -0.001 0.000 0.360 495 F C 0.295 176.060 175.800 -0.058 0.000 1.106 495 F CA -0.129 57.848 58.000 -0.039 0.000 1.170 495 F CB 0.429 39.438 39.000 0.014 0.000 1.113 495 F HN 0.680 nan 8.300 nan 0.000 0.521 496 T N 1.142 115.471 114.554 -0.374 0.000 2.932 496 T HA 0.252 4.602 4.350 -0.001 0.000 0.289 496 T C 0.962 175.428 174.700 -0.390 0.000 1.039 496 T CA -0.518 61.441 62.100 -0.234 0.000 1.024 496 T CB 1.541 70.315 68.868 -0.157 0.000 1.090 496 T HN 0.494 nan 8.240 nan 0.000 0.496 497 T N 0.520 114.984 114.554 -0.149 0.000 2.849 497 T HA -0.082 4.268 4.350 -0.001 0.000 0.270 497 T C 1.630 176.252 174.700 -0.130 0.000 1.066 497 T CA 1.544 63.587 62.100 -0.094 0.000 1.130 497 T CB -0.194 68.644 68.868 -0.049 0.000 0.864 497 T HN 0.713 nan 8.240 nan 0.000 0.481 498 K N 0.431 120.744 120.400 -0.146 0.000 2.102 498 K HA 0.004 4.323 4.320 -0.001 0.000 0.206 498 K C 2.233 178.753 176.600 -0.134 0.000 1.031 498 K CA 0.586 56.807 56.287 -0.110 0.000 0.962 498 K CB 0.170 32.620 32.500 -0.083 0.000 0.811 498 K HN 0.048 nan 8.250 nan 0.000 0.453 499 E N 0.981 121.081 120.200 -0.167 0.000 2.072 499 E HA -0.152 4.197 4.350 -0.001 0.000 0.190 499 E C 0.049 176.519 176.600 -0.217 0.000 0.982 499 E CA 0.746 57.055 56.400 -0.152 0.000 0.803 499 E CB -0.037 29.589 29.700 -0.123 0.000 0.755 499 E HN 0.354 nan 8.360 nan 0.000 0.453 500 Q N 0.487 119.995 119.800 -0.487 0.000 2.470 500 Q HA -0.178 4.161 4.340 -0.001 0.000 0.294 500 Q C -0.695 175.173 176.000 -0.220 0.000 1.356 500 Q CA 0.576 55.904 55.803 -0.792 0.000 0.805 500 Q CB -1.491 27.044 28.738 -0.337 0.000 1.157 500 Q HN 0.188 nan 8.270 nan 0.000 0.431 501 K N 0.532 120.861 120.400 -0.118 0.000 2.154 501 K HA 0.638 4.957 4.320 -0.001 0.000 0.264 501 K C 0.017 176.918 176.600 0.502 0.000 1.008 501 K CA 0.024 56.405 56.287 0.157 0.000 0.937 501 K CB 0.575 33.117 32.500 0.071 0.000 1.002 501 K HN 0.224 nan 8.250 nan 0.000 0.469 502 F N -0.284 119.850 119.950 0.306 0.000 2.745 502 F HA 0.639 5.166 4.527 -0.001 0.000 0.316 502 F C -1.240 174.691 175.800 0.220 0.000 1.155 502 F CA -1.462 56.758 58.000 0.366 0.000 0.937 502 F CB 0.799 40.017 39.000 0.364 0.000 1.361 502 F HN 0.442 nan 8.300 nan 0.000 0.472 503 I N -0.967 119.753 120.570 0.250 0.000 3.042 503 I HA 0.660 4.830 4.170 -0.001 0.000 0.310 503 I C -1.500 174.782 176.117 0.275 0.000 1.117 503 I CA -0.913 60.372 61.300 -0.026 0.000 1.003 503 I CB 2.253 40.020 38.000 -0.389 0.000 1.228 503 I HN 0.432 nan 8.210 nan 0.000 0.443 504 D N 3.259 123.791 120.400 0.221 0.000 2.210 504 D HA 0.442 5.081 4.640 -0.001 0.000 0.249 504 D C -0.828 175.566 176.300 0.155 0.000 1.078 504 D CA 0.082 54.288 54.000 0.343 0.000 0.875 504 D CB 2.271 43.271 40.800 0.334 0.000 1.175 504 D HN 0.331 nan 8.370 nan 0.000 0.440 505 L N 3.701 125.025 121.223 0.168 0.000 2.426 505 L HA 0.250 4.590 4.340 -0.001 0.000 0.255 505 L C -0.563 176.233 176.870 -0.123 0.000 1.080 505 L CA -0.345 54.542 54.840 0.079 0.000 0.960 505 L CB -0.529 41.665 42.059 0.226 0.000 1.326 505 L HN 0.374 nan 8.230 nan 0.000 0.441 506 N N -1.317 117.311 118.700 -0.120 0.000 3.343 506 N HA 0.405 5.145 4.740 -0.001 0.000 0.330 506 N C 0.710 176.089 175.510 -0.219 0.000 1.560 506 N CA -0.127 52.782 53.050 -0.235 0.000 0.752 506 N CB 0.246 38.664 38.487 -0.115 0.000 1.863 506 N HN 0.021 nan 8.380 nan 0.000 0.636 507 T N -4.028 110.347 114.554 -0.298 0.000 3.085 507 T HA 0.141 4.490 4.350 -0.001 0.000 0.263 507 T C 0.087 174.739 174.700 -0.080 0.000 1.127 507 T CA 0.673 62.641 62.100 -0.221 0.000 1.103 507 T CB -0.340 68.361 68.868 -0.280 0.000 0.921 507 T HN 0.442 nan 8.240 nan 0.000 0.510 508 E N 2.584 122.760 120.200 -0.040 0.000 2.314 508 E HA 0.389 4.738 4.350 -0.001 0.000 0.262 508 E C -2.335 174.267 176.600 0.003 0.000 1.093 508 E CA -2.236 54.162 56.400 -0.002 0.000 0.908 508 E CB 0.145 29.858 29.700 0.022 0.000 1.091 508 E HN 0.217 nan 8.360 nan 0.000 0.425 509 P HA -0.101 nan 4.420 nan 0.000 0.265 509 P C -0.285 177.024 177.300 0.014 0.000 1.193 509 P CA 0.119 63.228 63.100 0.015 0.000 0.765 509 P CB 0.437 32.145 31.700 0.014 0.000 0.823 510 M N 2.677 122.289 119.600 0.021 0.000 2.255 510 M HA -0.074 4.406 4.480 -0.001 0.000 0.356 510 M C 0.177 176.454 176.300 -0.037 0.000 1.338 510 M CA 1.022 56.325 55.300 0.004 0.000 0.962 510 M CB -0.077 32.541 32.600 0.030 0.000 1.877 510 M HN 0.314 nan 8.290 nan 0.000 0.463 511 K N 4.418 124.769 120.400 -0.081 0.000 2.378 511 K HA 0.590 4.909 4.320 -0.001 0.000 0.252 511 K C -1.861 174.510 176.600 -0.382 0.000 0.931 511 K CA -0.852 55.316 56.287 -0.199 0.000 0.794 511 K CB 1.828 34.236 32.500 -0.153 0.000 1.181 511 K HN 0.581 nan 8.250 nan 0.000 0.425 512 V N 4.840 124.479 119.914 -0.460 0.000 2.427 512 V HA 0.412 4.532 4.120 -0.001 0.000 0.286 512 V C -0.206 175.432 176.094 -0.760 0.000 1.034 512 V CA -0.608 61.400 62.300 -0.487 0.000 0.893 512 V CB 1.240 32.930 31.823 -0.222 0.000 0.982 512 V HN 0.802 nan 8.190 nan 0.000 0.452 513 H N 2.919 121.646 119.070 -0.571 0.000 2.869 513 H HA 0.672 5.227 4.556 -0.001 0.000 0.342 513 H C -1.059 173.987 175.328 -0.469 0.000 1.250 513 H CA -0.827 54.864 56.048 -0.594 0.000 1.217 513 H CB 2.228 31.477 29.762 -0.854 0.000 1.917 513 H HN 0.575 nan 8.280 nan 0.000 0.586 514 Q N 0.147 119.969 119.800 0.037 0.000 2.421 514 Q HA 0.376 4.715 4.340 -0.001 0.000 0.280 514 Q C -0.721 175.501 176.000 0.370 0.000 1.085 514 Q CA -0.973 54.952 55.803 0.203 0.000 0.807 514 Q CB 2.922 31.709 28.738 0.082 0.000 1.405 514 Q HN 0.458 nan 8.270 nan 0.000 0.419 515 R N 0.886 121.593 120.500 0.344 0.000 2.974 515 R HA -0.208 4.132 4.340 -0.001 0.000 0.258 515 R C -0.644 175.801 176.300 0.241 0.000 0.892 515 R CA -0.141 56.116 56.100 0.261 0.000 0.664 515 R CB -1.465 28.930 30.300 0.159 0.000 1.478 515 R HN 0.438 nan 8.270 nan 0.000 0.498 516 L N 2.753 124.065 121.223 0.147 0.000 2.654 516 L HA -0.019 4.321 4.340 -0.001 0.000 0.271 516 L C 0.735 177.565 176.870 -0.067 0.000 1.169 516 L CA 0.743 55.444 54.840 -0.231 0.000 0.947 516 L CB -0.221 41.388 42.059 -0.750 0.000 1.232 516 L HN 0.466 nan 8.230 nan 0.000 0.486 517 R N 2.078 122.557 120.500 -0.036 0.000 3.322 517 R HA -0.188 4.151 4.340 -0.001 0.000 0.253 517 R C 1.166 177.528 176.300 0.104 0.000 0.987 517 R CA 0.622 56.748 56.100 0.043 0.000 0.666 517 R CB -2.157 28.186 30.300 0.072 0.000 1.072 517 R HN 0.744 nan 8.270 nan 0.000 0.447 518 V N -2.972 117.003 119.914 0.101 0.000 2.427 518 V HA -0.282 3.838 4.120 -0.001 0.000 0.248 518 V C 2.335 178.501 176.094 0.120 0.000 1.051 518 V CA 1.397 63.770 62.300 0.121 0.000 1.048 518 V CB -0.279 31.609 31.823 0.108 0.000 0.666 518 V HN 0.272 nan 8.190 nan 0.000 0.456 519 Q N 0.047 119.897 119.800 0.084 0.000 2.014 519 Q HA -0.176 4.164 4.340 -0.001 0.000 0.207 519 Q C 2.343 178.391 176.000 0.081 0.000 0.993 519 Q CA 2.036 57.870 55.803 0.051 0.000 0.850 519 Q CB -0.529 28.211 28.738 0.003 0.000 0.916 519 Q HN 0.556 nan 8.270 nan 0.000 0.417 520 M N -0.500 119.175 119.600 0.125 0.000 2.200 520 M HA -0.084 4.395 4.480 -0.001 0.000 0.265 520 M C 2.382 178.963 176.300 0.469 0.000 1.066 520 M CA 0.800 56.246 55.300 0.245 0.000 1.127 520 M CB -1.171 31.635 32.600 0.344 0.000 1.379 520 M HN 0.228 nan 8.290 nan 0.000 0.420 521 c N -0.302 118.525 118.600 0.379 0.000 2.456 521 c HA 0.011 4.581 4.570 -0.001 0.000 0.279 521 c C 2.898 177.175 174.090 0.312 0.000 1.427 521 c CA 0.127 56.690 56.329 0.390 0.000 1.778 521 c CB -0.883 41.792 42.510 0.274 0.000 1.842 521 c HN 0.307 nan 8.230 nan 0.000 0.531 522 V N 0.377 120.440 119.914 0.248 0.000 2.548 522 V HA -0.175 3.945 4.120 -0.001 0.000 0.249 522 V C 2.000 178.228 176.094 0.223 0.000 1.055 522 V CA 1.889 64.308 62.300 0.198 0.000 1.065 522 V CB -0.717 31.194 31.823 0.146 0.000 0.681 522 V HN 0.572 nan 8.190 nan 0.000 0.462 523 F N -0.185 119.814 119.950 0.082 0.000 2.128 523 F HA -0.129 4.398 4.527 -0.001 0.000 0.295 523 F C 1.960 177.772 175.800 0.020 0.000 1.100 523 F CA 1.495 59.504 58.000 0.014 0.000 1.260 523 F CB -0.319 38.567 39.000 -0.190 0.000 1.009 523 F HN 0.147 nan 8.300 nan 0.000 0.476 524 W N 0.748 122.136 121.300 0.147 0.000 2.409 524 W HA -0.100 4.559 4.660 -0.001 0.000 0.299 524 W C 2.145 178.641 176.519 -0.039 0.000 1.203 524 W CA 0.894 58.255 57.345 0.026 0.000 1.298 524 W CB -0.421 29.171 29.460 0.219 0.000 1.127 524 W HN -0.045 nan 8.180 nan 0.000 0.528 525 N N -0.565 118.269 118.700 0.222 0.000 2.395 525 N HA -0.028 4.712 4.740 -0.001 0.000 0.175 525 N C 1.357 176.874 175.510 0.013 0.000 1.029 525 N CA 1.003 54.089 53.050 0.061 0.000 0.897 525 N CB -0.108 38.425 38.487 0.077 0.000 0.991 525 N HN 0.372 nan 8.380 nan 0.000 0.441 526 Q N -1.194 118.640 119.800 0.056 0.000 2.548 526 Q HA 0.207 4.547 4.340 -0.001 0.000 0.230 526 Q C 1.203 177.223 176.000 0.032 0.000 0.899 526 Q CA -0.023 55.812 55.803 0.054 0.000 0.936 526 Q CB 0.188 28.991 28.738 0.108 0.000 1.114 526 Q HN 0.123 nan 8.270 nan 0.000 0.606 527 F N 1.358 121.231 119.950 -0.128 0.000 2.074 527 F HA -0.082 4.444 4.527 -0.001 0.000 0.290 527 F C 1.883 177.507 175.800 -0.294 0.000 1.118 527 F CA 0.754 58.647 58.000 -0.177 0.000 1.199 527 F CB -0.311 38.615 39.000 -0.122 0.000 1.012 527 F HN 0.033 nan 8.300 nan 0.000 0.472 528 L N 2.236 123.065 121.223 -0.657 0.000 1.990 528 L HA -0.136 4.204 4.340 -0.001 0.000 0.213 528 L C -0.752 175.863 176.870 -0.425 0.000 1.072 528 L CA 2.327 56.736 54.840 -0.719 0.000 0.755 528 L CB -1.966 39.566 42.059 -0.878 0.000 0.889 528 L HN 0.083 nan 8.230 nan 0.000 0.432 529 P HA -0.232 nan 4.420 nan 0.000 0.219 529 P C 1.373 178.564 177.300 -0.180 0.000 1.146 529 P CA 1.659 64.671 63.100 -0.148 0.000 0.808 529 P CB -0.091 31.556 31.700 -0.089 0.000 0.779 530 K N -0.212 120.037 120.400 -0.251 0.000 2.167 530 K HA -0.032 4.288 4.320 -0.001 0.000 0.203 530 K C 2.269 178.693 176.600 -0.293 0.000 1.052 530 K CA 0.358 56.507 56.287 -0.230 0.000 0.956 530 K CB -0.424 31.953 32.500 -0.205 0.000 0.735 530 K HN 0.057 nan 8.250 nan 0.000 0.451 531 L N 0.998 121.939 121.223 -0.471 0.000 2.023 531 L HA -0.110 4.229 4.340 -0.001 0.000 0.205 531 L C 2.022 178.748 176.870 -0.240 0.000 1.073 531 L CA 1.102 55.686 54.840 -0.427 0.000 0.745 531 L CB -0.158 41.524 42.059 -0.628 0.000 0.900 531 L HN 0.182 nan 8.230 nan 0.000 0.435 532 L N 0.289 121.382 121.223 -0.217 0.000 2.131 532 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 532 L C 2.464 179.280 176.870 -0.091 0.000 1.092 532 L CA 1.373 56.136 54.840 -0.128 0.000 0.759 532 L CB -0.887 41.115 42.059 -0.094 0.000 0.903 532 L HN 0.515 nan 8.230 nan 0.000 0.435 533 N N 0.766 119.405 118.700 -0.101 0.000 2.216 533 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 533 N C 1.802 177.273 175.510 -0.065 0.000 1.017 533 N CA 1.346 54.353 53.050 -0.072 0.000 0.861 533 N CB 0.208 38.651 38.487 -0.073 0.000 0.986 533 N HN 0.291 nan 8.380 nan 0.000 0.428 534 A N 0.161 122.931 122.820 -0.083 0.000 2.014 534 A HA 0.017 4.336 4.320 -0.001 0.000 0.218 534 A C 1.339 178.893 177.584 -0.051 0.000 1.163 534 A CA 1.381 53.380 52.037 -0.064 0.000 0.652 534 A CB -0.491 18.464 19.000 -0.075 0.000 0.808 534 A HN 0.589 nan 8.150 nan 0.000 0.449 535 T N 0.000 114.519 114.554 -0.059 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.073 62.100 -0.044 0.000 1.349 535 T CB 0.000 68.839 68.868 -0.048 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658