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 1w3h_1_B DATA FIRST_RESID 1 DATA SEQUENCE GLASLADFPI GVAVAASGGN ADIFTSSARQ NIVRAEFNQI TAENIMKMSY DATA SEQUENCE MYSGSNFSFT NSDRLVSWAA QNGQTVHGHT LVWHPSYQLP NWASDSNANF DATA SEQUENCE RQDFARHIDT VAAHFAGQVK SWDVVNEALF DSADDPDGRG SANGYRQSVF DATA SEQUENCE YRQFGGPEYI DEAFRRARAA DPTAELYYND FNTEENGAKT TALVNLVQRL DATA SEQUENCE LNNGVPIDGV GFQMHVMNDY PSIANIRQAM QKIVALSPTL KIKITELDVR DATA SEQUENCE LNNPYDGNSS NNYTNRNDcA VScAGLDRQK ARYKEIVQAY LEVVPPGRRG DATA SEQUENCE GITVWGIADP DSWLYTHQNL PDWPLLFNDN LQPKPAYQGV VEALSGR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1 G C 0.000 174.839 174.900 -0.102 0.000 0.946 1 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 2 L N 1.195 122.314 121.223 -0.172 0.000 2.079 2 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 2 L C 3.181 179.922 176.870 -0.216 0.000 1.081 2 L CA 1.971 56.668 54.840 -0.238 0.000 0.752 2 L CB -0.338 41.522 42.059 -0.332 0.000 0.896 2 L HN 0.719 nan 8.230 nan 0.000 0.433 3 A N 0.102 122.799 122.820 -0.205 0.000 1.972 3 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 3 A C 2.517 180.008 177.584 -0.155 0.000 1.169 3 A CA 1.817 53.754 52.037 -0.166 0.000 0.635 3 A CB -0.601 18.337 19.000 -0.102 0.000 0.810 3 A HN 0.537 nan 8.150 nan 0.000 0.446 4 S N -0.149 115.477 115.700 -0.125 0.000 2.447 4 S HA -0.008 4.462 4.470 -0.000 0.000 0.233 4 S C 1.533 176.067 174.600 -0.110 0.000 1.006 4 S CA 1.217 59.358 58.200 -0.098 0.000 0.957 4 S CB -0.566 62.592 63.200 -0.070 0.000 0.773 4 S HN 0.464 nan 8.310 nan 0.000 0.507 5 L N 0.911 122.052 121.223 -0.137 0.000 2.591 5 L HA 0.434 4.774 4.340 -0.000 0.000 0.228 5 L C 1.035 177.807 176.870 -0.163 0.000 1.133 5 L CA 0.125 54.889 54.840 -0.128 0.000 0.880 5 L CB -0.453 41.529 42.059 -0.128 0.000 1.033 5 L HN 0.446 nan 8.230 nan 0.000 0.450 6 A N -0.199 122.466 122.820 -0.259 0.000 2.485 6 A HA 0.544 4.864 4.320 -0.000 0.000 0.292 6 A C -0.876 176.516 177.584 -0.320 0.000 1.147 6 A CA -0.545 51.239 52.037 -0.422 0.000 0.750 6 A CB 1.012 19.395 19.000 -1.028 0.000 1.331 6 A HN 0.172 nan 8.150 nan 0.000 0.419 7 D N -0.673 119.585 120.400 -0.237 0.000 2.501 7 D HA 0.373 5.013 4.640 -0.000 0.000 0.226 7 D C -0.351 176.013 176.300 0.106 0.000 1.198 7 D CA 0.069 54.055 54.000 -0.024 0.000 0.830 7 D CB -0.340 40.508 40.800 0.081 0.000 1.014 7 D HN 0.374 nan 8.370 nan 0.000 0.496 8 F N -2.822 117.163 119.950 0.057 0.000 2.664 8 F HA 0.757 5.284 4.527 -0.000 0.000 0.317 8 F C -3.062 172.771 175.800 0.055 0.000 1.108 8 F CA -3.267 54.775 58.000 0.071 0.000 0.957 8 F CB 0.300 39.368 39.000 0.114 0.000 1.365 8 F HN -0.416 nan 8.300 nan 0.000 0.475 9 P HA 0.170 nan 4.420 nan 0.000 0.268 9 P C -0.726 176.637 177.300 0.105 0.000 1.204 9 P CA 0.125 63.297 63.100 0.119 0.000 0.768 9 P CB 0.476 32.246 31.700 0.116 0.000 0.842 10 I N 3.138 123.738 120.570 0.051 0.000 2.420 10 I HA 0.439 4.609 4.170 -0.000 0.000 0.282 10 I C 0.779 177.073 176.117 0.295 0.000 1.019 10 I CA -0.014 61.353 61.300 0.112 0.000 1.130 10 I CB 0.802 38.794 38.000 -0.013 0.000 1.262 10 I HN 0.398 nan 8.210 nan 0.000 0.454 11 G N 4.429 113.382 108.800 0.255 0.000 2.685 11 G HA2 0.732 4.692 3.960 -0.000 0.000 0.298 11 G HA3 0.732 4.692 3.960 -0.000 0.000 0.298 11 G C -1.590 173.218 174.900 -0.152 0.000 1.277 11 G CA -0.651 44.521 45.100 0.119 0.000 0.986 11 G HN 0.302 nan 8.290 nan 0.000 0.487 12 V N -0.782 118.877 119.914 -0.425 0.000 2.932 12 V HA 0.734 4.854 4.120 -0.000 0.000 0.307 12 V C -0.234 175.590 176.094 -0.450 0.000 1.147 12 V CA -0.407 61.526 62.300 -0.611 0.000 0.951 12 V CB 1.785 32.850 31.823 -1.263 0.000 1.031 12 V HN 1.502 nan 8.190 nan 0.000 0.426 13 A N 5.211 127.727 122.820 -0.507 0.000 2.409 13 A HA 0.662 4.982 4.320 -0.000 0.000 0.267 13 A C -0.181 177.036 177.584 -0.612 0.000 1.127 13 A CA 0.282 51.870 52.037 -0.748 0.000 0.795 13 A CB 0.527 18.556 19.000 -1.618 0.000 1.061 13 A HN 1.861 nan 8.150 nan 0.000 0.502 14 V N 0.375 119.978 119.914 -0.518 0.000 2.581 14 V HA 0.888 5.008 4.120 -0.000 0.000 0.303 14 V C 0.285 176.122 176.094 -0.427 0.000 1.041 14 V CA -0.453 61.572 62.300 -0.458 0.000 0.907 14 V CB 1.147 32.699 31.823 -0.452 0.000 0.994 14 V HN 1.439 nan 8.190 nan 0.000 0.442 15 A N 3.215 125.800 122.820 -0.390 0.000 2.304 15 A HA 0.895 5.215 4.320 -0.000 0.000 0.301 15 A C 0.560 177.942 177.584 -0.336 0.000 1.132 15 A CA -0.133 51.719 52.037 -0.308 0.000 0.819 15 A CB 1.311 20.167 19.000 -0.241 0.000 1.094 15 A HN 2.373 nan 8.150 nan 0.000 0.492 16 A N 1.306 123.993 122.820 -0.222 0.000 2.843 16 A HA 0.551 4.871 4.320 -0.000 0.000 0.248 16 A C 0.291 177.876 177.584 0.002 0.000 0.904 16 A CA 0.179 52.127 52.037 -0.148 0.000 1.091 16 A CB -0.137 18.799 19.000 -0.108 0.000 1.208 16 A HN 0.848 nan 8.150 nan 0.000 0.476 17 S N -0.180 115.509 115.700 -0.017 0.000 3.031 17 S HA 0.517 4.987 4.470 -0.000 0.000 0.253 17 S C 0.724 175.337 174.600 0.022 0.000 0.996 17 S CA 0.281 58.499 58.200 0.031 0.000 1.098 17 S CB 0.330 63.553 63.200 0.038 0.000 1.042 17 S HN 2.087 nan 8.310 nan 0.000 0.593 18 G N 1.069 109.874 108.800 0.009 0.000 2.741 18 G HA2 0.344 4.304 3.960 -0.000 0.000 0.222 18 G HA3 0.344 4.304 3.960 -0.000 0.000 0.222 18 G C 0.304 175.192 174.900 -0.020 0.000 1.364 18 G CA -0.510 44.593 45.100 0.004 0.000 0.866 18 G HN 1.577 nan 8.290 nan 0.000 0.555 19 G N -1.281 107.509 108.800 -0.016 0.000 2.750 19 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.228 19 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.228 19 G C 0.647 175.519 174.900 -0.047 0.000 1.367 19 G CA 0.733 45.817 45.100 -0.027 0.000 0.871 19 G HN 1.816 nan 8.290 nan 0.000 0.560 20 N N -0.004 118.661 118.700 -0.057 0.000 2.309 20 N HA 0.139 4.879 4.740 -0.000 0.000 0.182 20 N C 2.440 177.893 175.510 -0.095 0.000 1.018 20 N CA 2.134 55.142 53.050 -0.069 0.000 0.876 20 N CB -0.222 38.221 38.487 -0.074 0.000 0.972 20 N HN 1.042 nan 8.380 nan 0.000 0.434 21 A N -0.364 122.389 122.820 -0.112 0.000 2.132 21 A HA -0.018 4.302 4.320 -0.000 0.000 0.213 21 A C 0.711 178.186 177.584 -0.183 0.000 1.154 21 A CA -0.136 51.813 52.037 -0.147 0.000 0.753 21 A CB -0.123 18.787 19.000 -0.149 0.000 0.826 21 A HN 0.174 nan 8.150 nan 0.000 0.469 22 D N 0.213 120.518 120.400 -0.158 0.000 2.531 22 D HA -0.035 4.605 4.640 -0.000 0.000 0.239 22 D C 0.840 176.970 176.300 -0.283 0.000 1.144 22 D CA 0.053 53.932 54.000 -0.201 0.000 0.869 22 D CB 0.499 41.241 40.800 -0.098 0.000 1.160 22 D HN 0.151 nan 8.370 nan 0.000 0.484 23 I N 4.633 124.898 120.570 -0.509 0.000 2.546 23 I HA -0.138 4.032 4.170 -0.000 0.000 0.255 23 I C 1.414 177.210 176.117 -0.535 0.000 1.163 23 I CA 0.851 61.787 61.300 -0.606 0.000 1.457 23 I CB -0.214 37.258 38.000 -0.881 0.000 1.092 23 I HN 0.362 nan 8.210 nan 0.000 0.434 24 F N 0.194 119.977 119.950 -0.277 0.000 2.325 24 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 24 F C 2.599 178.339 175.800 -0.101 0.000 1.090 24 F CA 1.421 59.303 58.000 -0.198 0.000 1.392 24 F CB -1.644 37.255 39.000 -0.169 0.000 1.053 24 F HN 0.189 nan 8.300 nan 0.000 0.521 25 T N -4.800 109.792 114.554 0.062 0.000 3.044 25 T HA -0.002 4.348 4.350 -0.000 0.000 0.255 25 T C 1.609 176.306 174.700 -0.005 0.000 1.073 25 T CA 0.775 62.896 62.100 0.034 0.000 1.125 25 T CB -0.404 68.475 68.868 0.018 0.000 0.908 25 T HN 0.110 nan 8.240 nan 0.000 0.480 26 S N 2.274 117.946 115.700 -0.048 0.000 2.677 26 S HA 0.183 4.653 4.470 -0.000 0.000 0.246 26 S C 1.801 176.374 174.600 -0.045 0.000 1.005 26 S CA 0.363 58.528 58.200 -0.058 0.000 1.062 26 S CB -1.284 61.859 63.200 -0.096 0.000 0.778 26 S HN 0.646 nan 8.310 nan 0.000 0.461 27 S N 0.910 116.604 115.700 -0.009 0.000 2.484 27 S HA -0.308 4.162 4.470 -0.000 0.000 0.269 27 S C 1.949 176.548 174.600 -0.001 0.000 0.997 27 S CA 1.205 59.415 58.200 0.018 0.000 0.973 27 S CB -1.132 62.094 63.200 0.044 0.000 0.737 27 S HN 0.943 nan 8.310 nan 0.000 0.515 28 A N 1.957 124.748 122.820 -0.048 0.000 1.985 28 A HA -0.272 4.048 4.320 -0.000 0.000 0.223 28 A C 2.392 179.908 177.584 -0.113 0.000 1.189 28 A CA 2.065 54.058 52.037 -0.073 0.000 0.658 28 A CB -0.850 18.108 19.000 -0.072 0.000 0.820 28 A HN 0.717 nan 8.150 nan 0.000 0.464 29 R N -1.261 119.168 120.500 -0.119 0.000 2.090 29 R HA -0.089 4.251 4.340 -0.000 0.000 0.228 29 R C 2.532 178.768 176.300 -0.106 0.000 1.110 29 R CA 1.435 57.441 56.100 -0.156 0.000 0.973 29 R CB -0.273 29.920 30.300 -0.178 0.000 0.869 29 R HN 0.730 nan 8.270 nan 0.000 0.440 30 Q N 0.080 119.849 119.800 -0.051 0.000 2.124 30 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 30 Q C 1.579 177.608 176.000 0.048 0.000 0.977 30 Q CA 1.268 57.100 55.803 0.050 0.000 0.850 30 Q CB -0.012 28.789 28.738 0.104 0.000 0.901 30 Q HN 0.319 nan 8.270 nan 0.000 0.429 31 N N 0.409 119.105 118.700 -0.007 0.000 2.250 31 N HA -0.047 4.693 4.740 -0.000 0.000 0.181 31 N C 1.765 177.245 175.510 -0.050 0.000 1.017 31 N CA 0.844 53.884 53.050 -0.017 0.000 0.866 31 N CB -0.074 38.395 38.487 -0.029 0.000 0.985 31 N HN 0.227 nan 8.380 nan 0.000 0.429 32 I N 0.468 120.963 120.570 -0.127 0.000 2.179 32 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 32 I C 2.053 178.150 176.117 -0.033 0.000 1.088 32 I CA 0.803 61.969 61.300 -0.222 0.000 1.357 32 I CB -0.263 37.384 38.000 -0.588 0.000 1.051 32 I HN -0.100 nan 8.210 nan 0.000 0.409 33 V N 0.827 120.775 119.914 0.057 0.000 2.220 33 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 33 V C 2.642 178.860 176.094 0.207 0.000 1.049 33 V CA 1.957 64.408 62.300 0.252 0.000 1.003 33 V CB -0.840 31.094 31.823 0.186 0.000 0.634 33 V HN 0.439 nan 8.190 nan 0.000 0.444 34 R N 0.284 120.861 120.500 0.130 0.000 2.170 34 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 34 R C 2.023 178.344 176.300 0.034 0.000 1.145 34 R CA 1.898 58.040 56.100 0.070 0.000 0.984 34 R CB -0.468 29.854 30.300 0.037 0.000 0.869 34 R HN 0.545 nan 8.270 nan 0.000 0.455 35 A N 0.043 122.878 122.820 0.024 0.000 1.975 35 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 35 A C 1.587 179.146 177.584 -0.042 0.000 1.170 35 A CA 0.727 52.759 52.037 -0.008 0.000 0.656 35 A CB 0.139 19.131 19.000 -0.013 0.000 0.821 35 A HN 0.269 nan 8.150 nan 0.000 0.449 36 E N -1.820 118.331 120.200 -0.082 0.000 2.434 36 E HA 0.250 4.600 4.350 -0.000 0.000 0.207 36 E C -0.747 175.521 176.600 -0.553 0.000 0.929 36 E CA 0.161 56.361 56.400 -0.334 0.000 1.001 36 E CB 0.345 29.741 29.700 -0.507 0.000 1.016 36 E HN 0.524 nan 8.360 nan 0.000 0.502 37 F N 1.538 121.509 119.950 0.034 0.000 2.598 37 F HA 0.282 4.809 4.527 0.000 0.000 0.327 37 F C 1.051 176.850 175.800 -0.001 0.000 1.057 37 F CA -1.010 57.001 58.000 0.017 0.000 0.957 37 F CB 0.936 39.952 39.000 0.028 0.000 1.278 37 F HN -0.194 nan 8.300 nan 0.000 0.484 38 N N 0.056 118.866 118.700 0.183 0.000 2.240 38 N HA 0.138 4.878 4.740 -0.000 0.000 0.240 38 N C -0.919 174.643 175.510 0.085 0.000 1.277 38 N CA -0.210 52.896 53.050 0.093 0.000 0.873 38 N CB 0.720 39.226 38.487 0.032 0.000 1.222 38 N HN 0.753 nan 8.380 nan 0.000 0.507 39 Q N 0.644 120.512 119.800 0.114 0.000 2.340 39 Q HA 0.527 4.867 4.340 -0.000 0.000 0.276 39 Q C -1.578 174.437 176.000 0.025 0.000 1.048 39 Q CA -0.915 54.925 55.803 0.062 0.000 0.832 39 Q CB 2.260 31.024 28.738 0.045 0.000 1.373 39 Q HN 0.368 nan 8.270 nan 0.000 0.409 40 I N -1.045 119.528 120.570 0.005 0.000 2.693 40 I HA 0.726 4.896 4.170 -0.000 0.000 0.303 40 I C -0.764 175.308 176.117 -0.075 0.000 1.025 40 I CA -0.679 60.580 61.300 -0.068 0.000 1.086 40 I CB 2.510 40.486 38.000 -0.039 0.000 1.268 40 I HN 0.372 nan 8.210 nan 0.000 0.440 41 T N 3.278 117.749 114.554 -0.137 0.000 2.855 41 T HA 0.650 5.000 4.350 -0.000 0.000 0.281 41 T C 0.014 174.572 174.700 -0.238 0.000 1.007 41 T CA -0.493 61.531 62.100 -0.127 0.000 1.009 41 T CB 1.619 70.467 68.868 -0.034 0.000 0.983 41 T HN 0.841 nan 8.240 nan 0.000 0.455 42 A N 1.904 124.609 122.820 -0.192 0.000 2.454 42 A HA 0.216 4.536 4.320 -0.000 0.000 0.260 42 A C 1.439 178.879 177.584 -0.240 0.000 1.106 42 A CA -0.309 51.598 52.037 -0.216 0.000 0.780 42 A CB -0.096 18.810 19.000 -0.158 0.000 1.044 42 A HN 1.065 nan 8.150 nan 0.000 0.498 43 E N 2.047 122.020 120.200 -0.379 0.000 2.070 43 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 43 E C 0.875 177.457 176.600 -0.030 0.000 1.004 43 E CA 1.930 58.103 56.400 -0.377 0.000 0.805 43 E CB 0.089 29.518 29.700 -0.452 0.000 0.744 43 E HN 0.818 nan 8.360 nan 0.000 0.451 44 N N -0.817 117.821 118.700 -0.103 0.000 2.372 44 N HA 0.029 4.769 4.740 -0.000 0.000 0.242 44 N C 1.713 176.915 175.510 -0.513 0.000 1.124 44 N CA 0.505 53.473 53.050 -0.136 0.000 0.824 44 N CB 0.372 38.796 38.487 -0.105 0.000 1.468 44 N HN 0.212 nan 8.380 nan 0.000 0.470 45 I N -1.394 118.877 120.570 -0.499 0.000 3.564 45 I HA 0.201 4.371 4.170 -0.000 0.000 0.294 45 I C 1.089 177.037 176.117 -0.281 0.000 1.289 45 I CA 0.685 61.571 61.300 -0.691 0.000 1.325 45 I CB -0.181 37.665 38.000 -0.256 0.000 1.039 45 I HN -0.110 nan 8.210 nan 0.000 0.474 46 M N 0.708 120.225 119.600 -0.137 0.000 2.404 46 M HA 0.290 4.770 4.480 -0.000 0.000 0.271 46 M C 0.239 176.620 176.300 0.135 0.000 1.128 46 M CA -0.045 55.286 55.300 0.052 0.000 0.982 46 M CB 0.195 32.783 32.600 -0.020 0.000 1.445 46 M HN 0.082 nan 8.290 nan 0.000 0.495 47 K N 0.502 120.946 120.400 0.074 0.000 2.230 47 K HA 0.193 4.513 4.320 -0.000 0.000 0.253 47 K C 1.024 177.867 176.600 0.405 0.000 1.008 47 K CA -0.035 56.394 56.287 0.237 0.000 0.910 47 K CB 0.893 33.571 32.500 0.297 0.000 0.994 47 K HN 0.165 nan 8.250 nan 0.000 0.495 48 M N 0.723 120.513 119.600 0.316 0.000 2.084 48 M HA -0.234 4.246 4.480 -0.000 0.000 0.259 48 M C 2.203 178.720 176.300 0.363 0.000 1.072 48 M CA 2.257 57.743 55.300 0.311 0.000 1.107 48 M CB -0.568 32.042 32.600 0.017 0.000 1.299 48 M HN 0.757 nan 8.290 nan 0.000 0.413 49 S N -0.435 115.344 115.700 0.132 0.000 2.465 49 S HA -0.169 4.301 4.470 -0.000 0.000 0.241 49 S C 1.481 176.137 174.600 0.092 0.000 1.000 49 S CA 1.064 59.273 58.200 0.014 0.000 0.964 49 S CB -1.010 62.046 63.200 -0.240 0.000 0.763 49 S HN 0.465 nan 8.310 nan 0.000 0.512 50 Y N 0.886 121.275 120.300 0.149 0.000 2.583 50 Y HA 0.259 4.809 4.550 0.000 0.000 0.293 50 Y C 2.107 178.058 175.900 0.085 0.000 1.157 50 Y CA 0.303 58.476 58.100 0.122 0.000 1.315 50 Y CB -0.334 38.204 38.460 0.130 0.000 1.021 50 Y HN 0.251 nan 8.280 nan 0.000 0.536 51 M N -1.158 118.583 119.600 0.234 0.000 2.561 51 M HA 0.061 4.541 4.480 -0.000 0.000 0.238 51 M C -0.935 175.018 176.300 -0.578 0.000 1.131 51 M CA 0.482 55.688 55.300 -0.157 0.000 1.046 51 M CB -0.928 31.636 32.600 -0.059 0.000 1.532 51 M HN 0.059 nan 8.290 nan 0.000 0.497 52 Y N -1.120 119.103 120.300 -0.127 0.000 2.499 52 Y HA 0.429 4.979 4.550 -0.000 0.000 0.347 52 Y C 0.238 176.057 175.900 -0.135 0.000 0.987 52 Y CA -1.162 56.822 58.100 -0.193 0.000 1.044 52 Y CB 1.747 40.091 38.460 -0.194 0.000 1.245 52 Y HN -0.120 nan 8.280 nan 0.000 0.461 53 S N 2.397 118.112 115.700 0.024 0.000 2.622 53 S HA 0.618 5.088 4.470 -0.000 0.000 0.283 53 S C 0.335 174.947 174.600 0.020 0.000 1.197 53 S CA 0.248 58.455 58.200 0.012 0.000 1.146 53 S CB -0.469 62.731 63.200 -0.001 0.000 1.007 53 S HN 1.331 nan 8.310 nan 0.000 0.478 54 G N 3.796 112.600 108.800 0.006 0.000 2.550 54 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.277 54 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.277 54 G C 1.096 176.000 174.900 0.007 0.000 1.190 54 G CA 0.300 45.395 45.100 -0.008 0.000 0.971 54 G HN 1.639 nan 8.290 nan 0.000 0.559 55 S N 0.168 115.874 115.700 0.010 0.000 2.522 55 S HA 0.207 4.677 4.470 -0.000 0.000 0.227 55 S C 1.010 175.652 174.600 0.070 0.000 0.986 55 S CA 1.374 59.588 58.200 0.024 0.000 0.929 55 S CB -0.241 62.971 63.200 0.019 0.000 0.769 55 S HN 0.698 nan 8.310 nan 0.000 0.529 56 N N 0.469 119.203 118.700 0.057 0.000 2.509 56 N HA 0.443 5.183 4.740 -0.000 0.000 0.287 56 N C -0.841 174.618 175.510 -0.085 0.000 1.121 56 N CA -0.375 52.695 53.050 0.034 0.000 0.977 56 N CB 0.634 39.154 38.487 0.055 0.000 1.167 56 N HN 0.161 nan 8.380 nan 0.000 0.476 57 F N 0.512 120.398 119.950 -0.106 0.000 2.490 57 F HA 0.097 4.624 4.527 0.000 0.000 0.336 57 F C 1.426 176.991 175.800 -0.391 0.000 1.178 57 F CA 0.430 58.157 58.000 -0.456 0.000 1.301 57 F CB 0.539 39.276 39.000 -0.439 0.000 1.175 57 F HN 0.237 nan 8.300 nan 0.000 0.593 58 S N 2.378 117.803 115.700 -0.459 0.000 2.614 58 S HA 0.391 4.861 4.470 -0.000 0.000 0.259 58 S C -0.622 173.712 174.600 -0.443 0.000 1.118 58 S CA -0.611 57.420 58.200 -0.281 0.000 1.065 58 S CB -0.297 62.828 63.200 -0.125 0.000 1.121 58 S HN 0.436 nan 8.310 nan 0.000 0.458 59 F N 2.284 122.168 119.950 -0.109 0.000 2.653 59 F HA 0.233 4.760 4.527 0.000 0.000 0.304 59 F C 2.209 177.950 175.800 -0.099 0.000 1.092 59 F CA -0.157 57.686 58.000 -0.263 0.000 1.279 59 F CB 0.208 38.606 39.000 -1.004 0.000 1.044 59 F HN 0.490 nan 8.300 nan 0.000 0.564 60 T N -0.094 114.530 114.554 0.117 0.000 2.684 60 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 60 T C 1.819 176.603 174.700 0.141 0.000 1.036 60 T CA 2.015 64.188 62.100 0.121 0.000 1.148 60 T CB -0.354 68.564 68.868 0.083 0.000 0.863 60 T HN 0.374 nan 8.240 nan 0.000 0.436 61 N N 0.613 119.402 118.700 0.149 0.000 2.216 61 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 61 N C 2.177 177.824 175.510 0.228 0.000 1.017 61 N CA 1.281 54.432 53.050 0.169 0.000 0.861 61 N CB -0.008 38.584 38.487 0.175 0.000 0.986 61 N HN 0.410 nan 8.380 nan 0.000 0.428 62 S N 0.346 116.231 115.700 0.308 0.000 2.414 62 S HA -0.016 4.454 4.470 -0.000 0.000 0.227 62 S C 1.230 176.157 174.600 0.545 0.000 1.022 62 S CA 0.706 59.181 58.200 0.458 0.000 0.958 62 S CB -0.038 63.603 63.200 0.735 0.000 0.797 62 S HN 0.134 nan 8.310 nan 0.000 0.493 63 D N 1.934 122.561 120.400 0.378 0.000 2.117 63 D HA -0.086 4.554 4.640 -0.000 0.000 0.197 63 D C 2.032 178.491 176.300 0.266 0.000 0.987 63 D CA 0.994 55.170 54.000 0.293 0.000 0.829 63 D CB -0.376 40.556 40.800 0.220 0.000 0.961 63 D HN 0.419 nan 8.370 nan 0.000 0.460 64 R N 0.131 120.765 120.500 0.222 0.000 2.096 64 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 64 R C 2.260 178.733 176.300 0.288 0.000 1.139 64 R CA 1.071 57.284 56.100 0.187 0.000 0.952 64 R CB -0.470 29.892 30.300 0.104 0.000 0.854 64 R HN 0.150 nan 8.270 nan 0.000 0.436 65 L N 0.505 121.923 121.223 0.325 0.000 2.093 65 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 65 L C 2.082 179.164 176.870 0.353 0.000 1.085 65 L CA 1.366 56.418 54.840 0.353 0.000 0.755 65 L CB -0.210 41.976 42.059 0.212 0.000 0.904 65 L HN 0.009 nan 8.230 nan 0.000 0.435 66 V N -1.221 118.899 119.914 0.343 0.000 2.358 66 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 66 V C 2.732 178.977 176.094 0.252 0.000 1.047 66 V CA 1.795 64.283 62.300 0.314 0.000 1.035 66 V CB -0.697 31.430 31.823 0.506 0.000 0.658 66 V HN 0.633 nan 8.190 nan 0.000 0.452 67 S N -1.420 114.426 115.700 0.243 0.000 2.382 67 S HA -0.274 4.196 4.470 -0.000 0.000 0.228 67 S C 1.671 176.380 174.600 0.181 0.000 1.027 67 S CA 1.883 60.184 58.200 0.168 0.000 0.991 67 S CB -0.481 62.803 63.200 0.138 0.000 0.823 67 S HN 0.728 nan 8.310 nan 0.000 0.469 68 W N 1.947 123.316 121.300 0.115 0.000 2.358 68 W HA -0.018 4.642 4.660 0.000 0.000 0.303 68 W C 2.409 178.976 176.519 0.080 0.000 1.208 68 W CA 1.592 59.011 57.345 0.124 0.000 1.274 68 W CB -0.743 28.859 29.460 0.235 0.000 1.138 68 W HN 0.350 nan 8.180 nan 0.000 0.515 69 A N 0.690 123.685 122.820 0.291 0.000 1.877 69 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 69 A C 2.071 179.601 177.584 -0.090 0.000 1.186 69 A CA 2.460 54.553 52.037 0.092 0.000 0.620 69 A CB -1.589 17.524 19.000 0.190 0.000 0.822 69 A HN 0.424 nan 8.150 nan 0.000 0.443 70 A N -1.030 121.777 122.820 -0.022 0.000 2.070 70 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 70 A C 1.958 179.478 177.584 -0.107 0.000 1.159 70 A CA 1.605 53.617 52.037 -0.041 0.000 0.656 70 A CB -0.378 18.624 19.000 0.002 0.000 0.800 70 A HN 0.690 nan 8.150 nan 0.000 0.453 71 Q N -1.164 118.524 119.800 -0.188 0.000 2.282 71 Q HA 0.164 4.504 4.340 -0.000 0.000 0.206 71 Q C -0.046 175.759 176.000 -0.324 0.000 0.878 71 Q CA -0.047 55.628 55.803 -0.214 0.000 0.944 71 Q CB 0.407 29.034 28.738 -0.186 0.000 1.100 71 Q HN 0.537 nan 8.270 nan 0.000 0.509 72 N N -0.325 118.093 118.700 -0.470 0.000 2.433 72 N HA 0.117 4.857 4.740 -0.000 0.000 0.270 72 N C 0.213 175.523 175.510 -0.334 0.000 1.354 72 N CA 0.542 53.261 53.050 -0.551 0.000 0.889 72 N CB 1.656 39.398 38.487 -1.242 0.000 1.285 72 N HN 0.319 nan 8.380 nan 0.000 0.503 73 G N 0.911 109.591 108.800 -0.199 0.000 2.220 73 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.269 73 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.269 73 G C 0.105 174.970 174.900 -0.058 0.000 0.977 73 G CA 0.358 45.396 45.100 -0.103 0.000 0.634 73 G HN 0.301 nan 8.290 nan 0.000 0.539 74 Q N 1.381 121.141 119.800 -0.066 0.000 2.241 74 Q HA 0.526 4.866 4.340 -0.000 0.000 0.254 74 Q C 0.852 176.859 176.000 0.011 0.000 0.917 74 Q CA 0.364 56.173 55.803 0.011 0.000 0.919 74 Q CB 1.440 30.222 28.738 0.073 0.000 1.237 74 Q HN 0.597 nan 8.270 nan 0.000 0.434 75 T N -2.022 112.547 114.554 0.024 0.000 2.732 75 T HA 0.562 4.912 4.350 -0.000 0.000 0.287 75 T C 0.306 175.015 174.700 0.015 0.000 0.993 75 T CA -0.655 61.457 62.100 0.021 0.000 0.966 75 T CB 0.677 69.561 68.868 0.028 0.000 1.047 75 T HN 0.274 nan 8.240 nan 0.000 0.527 76 V N 1.317 121.222 119.914 -0.016 0.000 2.540 76 V HA 0.375 4.495 4.120 -0.000 0.000 0.302 76 V C -0.762 175.271 176.094 -0.101 0.000 1.035 76 V CA -0.942 61.315 62.300 -0.072 0.000 0.873 76 V CB 1.173 32.917 31.823 -0.131 0.000 0.992 76 V HN 1.043 nan 8.190 nan 0.000 0.428 77 H N 2.789 121.737 119.070 -0.203 0.000 2.552 77 H HA 0.627 5.183 4.556 0.000 0.000 0.311 77 H C 0.377 175.493 175.328 -0.352 0.000 1.071 77 H CA 0.044 55.949 56.048 -0.239 0.000 1.307 77 H CB 1.389 31.061 29.762 -0.151 0.000 1.416 77 H HN 0.812 nan 8.280 nan 0.000 0.464 78 G N 3.395 111.599 108.800 -0.992 0.000 2.339 78 G HA2 0.280 4.240 3.960 -0.000 0.000 0.287 78 G HA3 0.280 4.240 3.960 -0.000 0.000 0.287 78 G C -1.134 173.466 174.900 -0.500 0.000 1.163 78 G CA -0.344 44.062 45.100 -1.158 0.000 0.872 78 G HN 0.833 nan 8.290 nan 0.000 0.464 79 H N 0.502 119.405 119.070 -0.279 0.000 2.953 79 H HA 0.595 5.151 4.556 -0.000 0.000 0.290 79 H C -0.639 174.707 175.328 0.030 0.000 1.113 79 H CA -0.222 55.761 56.048 -0.109 0.000 1.454 79 H CB 1.515 31.223 29.762 -0.089 0.000 1.525 79 H HN 0.632 nan 8.280 nan 0.000 0.505 80 T N 4.422 118.950 114.554 -0.043 0.000 2.977 80 T HA 0.160 4.510 4.350 -0.000 0.000 0.345 80 T C 0.679 175.439 174.700 0.100 0.000 1.562 80 T CA -0.673 61.412 62.100 -0.025 0.000 1.090 80 T CB 0.859 69.457 68.868 -0.450 0.000 1.383 80 T HN 0.516 nan 8.240 nan 0.000 0.484 81 L N 2.470 123.707 121.223 0.023 0.000 2.093 81 L HA 0.221 4.561 4.340 -0.000 0.000 0.208 81 L C 0.371 177.281 176.870 0.065 0.000 1.085 81 L CA 0.852 55.653 54.840 -0.066 0.000 0.755 81 L CB -0.000 41.829 42.059 -0.383 0.000 0.904 81 L HN 0.395 nan 8.230 nan 0.000 0.435 82 V N -1.939 117.982 119.914 0.011 0.000 2.733 82 V HA 0.436 4.556 4.120 -0.000 0.000 0.306 82 V C -1.651 174.546 176.094 0.172 0.000 1.084 82 V CA -0.712 61.571 62.300 -0.029 0.000 0.905 82 V CB 2.504 34.253 31.823 -0.124 0.000 1.010 82 V HN 0.222 nan 8.190 nan 0.000 0.424 83 W N 4.777 126.077 121.300 -0.001 0.000 3.700 83 W HA 0.423 5.083 4.660 0.000 0.000 0.279 83 W C 0.785 177.493 176.519 0.314 0.000 1.270 83 W CA -0.810 56.614 57.345 0.132 0.000 1.216 83 W CB 1.063 30.504 29.460 -0.031 0.000 1.292 83 W HN 0.827 nan 8.180 nan 0.000 0.557 84 H N 1.219 120.349 119.070 0.099 0.000 2.436 84 H HA 0.231 4.787 4.556 -0.000 0.000 0.294 84 H C -1.536 173.605 175.328 -0.312 0.000 1.048 84 H CA 0.441 56.488 56.048 -0.002 0.000 1.353 84 H CB -1.381 28.412 29.762 0.052 0.000 1.414 84 H HN 0.037 nan 8.280 nan 0.000 0.536 85 P HA -0.003 nan 4.420 nan 0.000 0.264 85 P C 0.830 177.905 177.300 -0.375 0.000 1.193 85 P CA 0.456 63.136 63.100 -0.701 0.000 0.763 85 P CB 1.007 32.103 31.700 -1.006 0.000 0.810 86 S N 2.984 118.583 115.700 -0.169 0.000 2.359 86 S HA -0.212 4.258 4.470 -0.000 0.000 0.224 86 S C 1.653 176.218 174.600 -0.058 0.000 1.035 86 S CA 1.501 59.625 58.200 -0.127 0.000 1.018 86 S CB -1.014 62.147 63.200 -0.064 0.000 0.876 86 S HN 0.650 nan 8.310 nan 0.000 0.448 87 Y N 2.400 122.604 120.300 -0.159 0.000 2.274 87 Y HA -0.103 4.447 4.550 -0.000 0.000 0.290 87 Y C 1.832 177.667 175.900 -0.108 0.000 1.145 87 Y CA 1.597 59.629 58.100 -0.114 0.000 1.203 87 Y CB -0.922 37.496 38.460 -0.070 0.000 0.984 87 Y HN 0.378 nan 8.280 nan 0.000 0.533 88 Q N 1.070 120.212 119.800 -1.096 0.000 2.280 88 Q HA 0.277 4.617 4.340 -0.000 0.000 0.201 88 Q C -0.359 175.405 176.000 -0.394 0.000 0.890 88 Q CA 0.106 55.446 55.803 -0.771 0.000 0.947 88 Q CB -0.492 27.801 28.738 -0.742 0.000 1.081 88 Q HN 0.540 nan 8.270 nan 0.000 0.502 89 L N 2.756 123.751 121.223 -0.381 0.000 2.410 89 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 89 L C -2.035 174.551 176.870 -0.474 0.000 1.152 89 L CA -2.102 52.505 54.840 -0.387 0.000 0.855 89 L CB 0.414 42.246 42.059 -0.379 0.000 1.129 89 L HN 0.070 nan 8.230 nan 0.000 0.463 90 P HA 0.048 nan 4.420 nan 0.000 0.270 90 P C -0.003 176.815 177.300 -0.803 0.000 1.223 90 P CA -0.281 62.312 63.100 -0.845 0.000 0.785 90 P CB 0.488 31.349 31.700 -1.398 0.000 0.923 91 N N 0.913 119.268 118.700 -0.576 0.000 2.289 91 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 91 N C 1.661 176.997 175.510 -0.292 0.000 1.016 91 N CA 1.004 53.837 53.050 -0.362 0.000 0.872 91 N CB -0.454 37.901 38.487 -0.219 0.000 0.973 91 N HN 0.683 nan 8.380 nan 0.000 0.433 92 W N 1.164 122.300 121.300 -0.274 0.000 2.421 92 W HA 0.134 4.794 4.660 -0.000 0.000 0.270 92 W C 0.277 176.724 176.519 -0.119 0.000 1.233 92 W CA 0.133 57.364 57.345 -0.189 0.000 1.226 92 W CB -0.544 28.778 29.460 -0.230 0.000 1.121 92 W HN -0.102 nan 8.180 nan 0.000 0.579 93 A N 2.158 124.497 122.820 -0.802 0.000 3.037 93 A HA 0.363 4.683 4.320 -0.000 0.000 0.272 93 A C -0.013 177.510 177.584 -0.102 0.000 1.723 93 A CA 0.400 52.083 52.037 -0.591 0.000 1.413 93 A CB -0.667 17.668 19.000 -1.109 0.000 1.112 93 A HN 0.165 nan 8.150 nan 0.000 0.606 94 S N -0.009 115.795 115.700 0.174 0.000 2.549 94 S HA 0.344 4.814 4.470 -0.000 0.000 0.280 94 S C 0.283 174.907 174.600 0.040 0.000 1.109 94 S CA -0.607 57.615 58.200 0.037 0.000 0.905 94 S CB 1.175 64.376 63.200 0.001 0.000 1.081 94 S HN 0.469 nan 8.310 nan 0.000 0.477 95 D N 2.114 122.465 120.400 -0.081 0.000 2.221 95 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 95 D C 1.637 177.903 176.300 -0.056 0.000 0.982 95 D CA 1.693 55.619 54.000 -0.123 0.000 0.857 95 D CB -0.071 40.659 40.800 -0.116 0.000 0.934 95 D HN 0.627 nan 8.370 nan 0.000 0.475 96 S N 0.093 115.786 115.700 -0.012 0.000 2.631 96 S HA -0.043 4.427 4.470 -0.000 0.000 0.217 96 S C 0.520 175.146 174.600 0.043 0.000 0.958 96 S CA -0.500 57.702 58.200 0.004 0.000 0.920 96 S CB -0.129 63.069 63.200 -0.002 0.000 0.776 96 S HN -0.056 nan 8.310 nan 0.000 0.517 97 N N 1.667 120.428 118.700 0.101 0.000 2.437 97 N HA 0.531 5.271 4.740 -0.000 0.000 0.243 97 N C 0.727 176.322 175.510 0.142 0.000 1.041 97 N CA 0.111 53.257 53.050 0.160 0.000 0.940 97 N CB 1.162 39.828 38.487 0.299 0.000 1.133 97 N HN 0.222 nan 8.380 nan 0.000 0.506 98 A N 3.539 126.408 122.820 0.081 0.000 2.119 98 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 98 A C 1.479 179.105 177.584 0.071 0.000 1.153 98 A CA 0.846 52.914 52.037 0.052 0.000 0.692 98 A CB -0.208 18.806 19.000 0.024 0.000 0.799 98 A HN 0.680 nan 8.150 nan 0.000 0.458 99 N N -1.535 117.226 118.700 0.102 0.000 2.238 99 N HA 0.143 4.883 4.740 -0.000 0.000 0.222 99 N C 0.677 176.261 175.510 0.123 0.000 1.133 99 N CA -0.409 52.690 53.050 0.083 0.000 0.854 99 N CB -0.562 37.953 38.487 0.047 0.000 1.041 99 N HN 0.318 nan 8.380 nan 0.000 0.510 100 F N 1.541 121.527 119.950 0.059 0.000 2.085 100 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 100 F C 2.028 177.896 175.800 0.112 0.000 1.096 100 F CA 1.842 59.933 58.000 0.152 0.000 1.227 100 F CB 0.150 39.241 39.000 0.152 0.000 0.983 100 F HN 0.091 nan 8.300 nan 0.000 0.482 101 R N -0.357 120.288 120.500 0.241 0.000 2.096 101 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 101 R C 2.284 178.650 176.300 0.111 0.000 1.127 101 R CA 1.754 57.917 56.100 0.106 0.000 0.968 101 R CB -0.670 29.551 30.300 -0.132 0.000 0.861 101 R HN 0.512 nan 8.270 nan 0.000 0.440 102 Q N 0.737 120.553 119.800 0.027 0.000 2.123 102 Q HA -0.136 4.204 4.340 -0.000 0.000 0.199 102 Q C 1.156 177.079 176.000 -0.130 0.000 0.966 102 Q CA 1.447 57.242 55.803 -0.014 0.000 0.845 102 Q CB 0.191 28.922 28.738 -0.012 0.000 0.907 102 Q HN 0.199 nan 8.270 nan 0.000 0.439 103 D N 0.000 120.222 120.400 -0.298 0.000 2.178 103 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 103 D C 1.533 177.128 176.300 -1.175 0.000 0.974 103 D CA 0.702 54.256 54.000 -0.744 0.000 0.841 103 D CB -0.194 40.054 40.800 -0.919 0.000 0.953 103 D HN 0.296 nan 8.370 nan 0.000 0.478 104 F N 1.881 121.182 119.950 -1.082 0.000 2.134 104 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 104 F C 2.228 177.935 175.800 -0.156 0.000 1.097 104 F CA 1.528 59.146 58.000 -0.638 0.000 1.264 104 F CB -0.008 38.962 39.000 -0.050 0.000 1.001 104 F HN -0.079 nan 8.300 nan 0.000 0.479 105 A N 0.449 123.298 122.820 0.048 0.000 1.933 105 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 105 A C 2.263 179.810 177.584 -0.061 0.000 1.175 105 A CA 1.585 53.654 52.037 0.053 0.000 0.628 105 A CB -0.851 18.224 19.000 0.125 0.000 0.814 105 A HN 0.473 nan 8.150 nan 0.000 0.444 106 R N -1.105 119.373 120.500 -0.037 0.000 2.103 106 R HA -0.222 4.118 4.340 -0.000 0.000 0.242 106 R C 2.296 178.742 176.300 0.244 0.000 1.142 106 R CA 1.901 58.059 56.100 0.097 0.000 0.960 106 R CB -0.502 29.933 30.300 0.226 0.000 0.858 106 R HN 0.794 nan 8.270 nan 0.000 0.439 107 H N 0.150 119.360 119.070 0.232 0.000 2.293 107 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 107 H C 2.049 177.420 175.328 0.071 0.000 1.082 107 H CA 2.164 58.471 56.048 0.432 0.000 1.308 107 H CB -0.049 30.038 29.762 0.542 0.000 1.375 107 H HN 0.239 nan 8.280 nan 0.000 0.495 108 I N 0.821 121.330 120.570 -0.102 0.000 2.252 108 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 108 I C 2.109 178.067 176.117 -0.265 0.000 1.102 108 I CA 1.232 62.369 61.300 -0.273 0.000 1.385 108 I CB -0.213 37.576 38.000 -0.351 0.000 1.064 108 I HN 0.183 nan 8.210 nan 0.000 0.414 109 D N 0.428 120.709 120.400 -0.197 0.000 2.117 109 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 109 D C 2.234 178.389 176.300 -0.241 0.000 0.987 109 D CA 1.659 55.550 54.000 -0.182 0.000 0.829 109 D CB -0.381 40.339 40.800 -0.134 0.000 0.961 109 D HN 0.275 nan 8.370 nan 0.000 0.460 110 T N 0.172 114.519 114.554 -0.345 0.000 2.770 110 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 110 T C 2.284 176.781 174.700 -0.339 0.000 1.039 110 T CA 0.707 62.533 62.100 -0.456 0.000 1.142 110 T CB -0.374 67.849 68.868 -1.074 0.000 0.868 110 T HN -0.040 nan 8.240 nan 0.000 0.435 111 V N 1.778 121.598 119.914 -0.157 0.000 2.307 111 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 111 V C 2.925 179.068 176.094 0.080 0.000 1.045 111 V CA 1.663 63.998 62.300 0.059 0.000 1.024 111 V CB -1.192 30.657 31.823 0.044 0.000 0.651 111 V HN 0.524 nan 8.190 nan 0.000 0.449 112 A N -0.042 122.689 122.820 -0.148 0.000 1.898 112 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 112 A C 2.420 180.064 177.584 0.101 0.000 1.181 112 A CA 1.870 53.898 52.037 -0.015 0.000 0.620 112 A CB -0.752 18.080 19.000 -0.279 0.000 0.819 112 A HN 0.539 nan 8.150 nan 0.000 0.442 113 A N -1.116 121.667 122.820 -0.061 0.000 1.877 113 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 113 A C 2.149 179.645 177.584 -0.146 0.000 1.186 113 A CA 1.782 53.763 52.037 -0.094 0.000 0.620 113 A CB -1.057 17.852 19.000 -0.151 0.000 0.822 113 A HN 0.715 nan 8.150 nan 0.000 0.443 114 H N -1.506 117.324 119.070 -0.400 0.000 2.319 114 H HA -0.159 4.397 4.556 -0.000 0.000 0.297 114 H C 1.154 176.204 175.328 -0.464 0.000 1.097 114 H CA 2.096 57.754 56.048 -0.650 0.000 1.285 114 H CB -0.199 28.712 29.762 -1.420 0.000 1.368 114 H HN 0.494 nan 8.280 nan 0.000 0.495 115 F N 0.660 120.640 119.950 0.050 0.000 2.765 115 F HA 0.313 4.840 4.527 -0.000 0.000 0.302 115 F C 1.414 177.249 175.800 0.059 0.000 1.111 115 F CA 0.272 58.338 58.000 0.109 0.000 1.359 115 F CB -0.130 39.014 39.000 0.240 0.000 1.097 115 F HN 0.084 nan 8.300 nan 0.000 0.577 116 A N 0.388 123.301 122.820 0.155 0.000 2.580 116 A HA 0.318 4.638 4.320 -0.000 0.000 0.244 116 A C 1.695 179.318 177.584 0.065 0.000 1.045 116 A CA 0.973 53.075 52.037 0.108 0.000 0.761 116 A CB -0.855 18.164 19.000 0.032 0.000 0.962 116 A HN 1.001 nan 8.150 nan 0.000 0.512 117 G N 1.520 110.365 108.800 0.075 0.000 2.184 117 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.264 117 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.264 117 G C 0.643 175.572 174.900 0.048 0.000 0.975 117 G CA 0.901 46.029 45.100 0.046 0.000 0.642 117 G HN 0.910 nan 8.290 nan 0.000 0.536 118 Q N -1.078 118.770 119.800 0.081 0.000 2.317 118 Q HA 0.511 4.851 4.340 -0.000 0.000 0.220 118 Q C 0.482 176.522 176.000 0.067 0.000 0.873 118 Q CA 0.443 56.303 55.803 0.096 0.000 0.936 118 Q CB 1.690 30.532 28.738 0.173 0.000 1.105 118 Q HN 0.450 nan 8.270 nan 0.000 0.520 119 V N 1.048 120.980 119.914 0.030 0.000 2.604 119 V HA 0.164 4.284 4.120 -0.000 0.000 0.305 119 V C 0.407 176.471 176.094 -0.049 0.000 1.043 119 V CA -0.399 61.842 62.300 -0.099 0.000 0.888 119 V CB 2.126 33.748 31.823 -0.335 0.000 0.995 119 V HN 0.022 nan 8.190 nan 0.000 0.429 120 K N 2.905 123.285 120.400 -0.034 0.000 2.167 120 K HA 0.126 4.446 4.320 -0.000 0.000 0.203 120 K C 0.302 176.964 176.600 0.102 0.000 1.052 120 K CA 1.131 57.447 56.287 0.050 0.000 0.956 120 K CB 0.253 32.797 32.500 0.074 0.000 0.735 120 K HN 0.871 nan 8.250 nan 0.000 0.451 121 S N -2.215 113.513 115.700 0.047 0.000 2.595 121 S HA 0.411 4.881 4.470 -0.000 0.000 0.270 121 S C -1.835 172.712 174.600 -0.088 0.000 1.145 121 S CA -1.196 57.133 58.200 0.214 0.000 0.825 121 S CB 0.496 63.999 63.200 0.506 0.000 1.107 121 S HN 0.235 nan 8.310 nan 0.000 0.461 122 W N 0.566 121.966 121.300 0.166 0.000 2.785 122 W HA 0.461 5.121 4.660 -0.000 0.000 0.333 122 W C -1.168 175.373 176.519 0.036 0.000 1.062 122 W CA -0.352 56.951 57.345 -0.069 0.000 1.233 122 W CB 1.540 30.974 29.460 -0.043 0.000 1.413 122 W HN 0.575 nan 8.180 nan 0.000 0.489 123 D N 2.735 123.204 120.400 0.116 0.000 2.367 123 D HA 0.043 4.683 4.640 -0.000 0.000 0.255 123 D C 1.079 177.458 176.300 0.130 0.000 1.300 123 D CA 0.315 54.425 54.000 0.183 0.000 0.959 123 D CB 1.131 41.989 40.800 0.096 0.000 1.064 123 D HN 0.091 nan 8.370 nan 0.000 0.509 124 V N 2.266 122.202 119.914 0.038 0.000 2.283 124 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 124 V C 1.055 177.020 176.094 -0.215 0.000 1.039 124 V CA 0.992 63.132 62.300 -0.267 0.000 1.016 124 V CB 0.144 31.471 31.823 -0.827 0.000 0.650 124 V HN 0.281 nan 8.190 nan 0.000 0.449 125 V N 0.688 120.545 119.914 -0.095 0.000 2.604 125 V HA 0.478 4.598 4.120 -0.000 0.000 0.305 125 V C -0.791 175.321 176.094 0.029 0.000 1.043 125 V CA -0.750 61.609 62.300 0.097 0.000 0.888 125 V CB 1.763 33.766 31.823 0.301 0.000 0.995 125 V HN 0.429 nan 8.190 nan 0.000 0.429 126 N N 2.516 121.260 118.700 0.074 0.000 2.407 126 N HA 0.381 5.121 4.740 -0.000 0.000 0.277 126 N C -0.235 175.445 175.510 0.284 0.000 0.995 126 N CA -0.356 52.670 53.050 -0.041 0.000 0.903 126 N CB 0.957 39.240 38.487 -0.340 0.000 1.218 126 N HN 0.767 nan 8.380 nan 0.000 0.487 127 E N 1.218 121.527 120.200 0.182 0.000 2.340 127 E HA -0.224 4.126 4.350 -0.000 0.000 0.240 127 E C -0.271 176.620 176.600 0.486 0.000 1.154 127 E CA 0.579 57.226 56.400 0.411 0.000 0.717 127 E CB -1.456 28.704 29.700 0.767 0.000 1.250 127 E HN 0.606 nan 8.360 nan 0.000 0.386 128 A N 0.114 123.264 122.820 0.551 0.000 2.251 128 A HA 0.198 4.518 4.320 -0.000 0.000 0.209 128 A C 0.823 178.665 177.584 0.429 0.000 1.187 128 A CA 0.161 52.553 52.037 0.591 0.000 0.823 128 A CB 0.344 19.776 19.000 0.720 0.000 0.846 128 A HN 0.257 nan 8.150 nan 0.000 0.486 129 L N -0.499 120.887 121.223 0.272 0.000 2.325 129 L HA 0.405 4.745 4.340 -0.000 0.000 0.279 129 L C 0.036 176.943 176.870 0.062 0.000 1.054 129 L CA -0.945 53.951 54.840 0.094 0.000 0.804 129 L CB 1.136 43.198 42.059 0.004 0.000 1.200 129 L HN 0.354 nan 8.230 nan 0.000 0.436 130 F N 3.086 122.994 119.950 -0.071 0.000 2.563 130 F HA 0.125 4.652 4.527 -0.000 0.000 0.363 130 F C 0.158 175.912 175.800 -0.077 0.000 1.123 130 F CA 0.273 58.230 58.000 -0.072 0.000 1.307 130 F CB 0.382 39.335 39.000 -0.079 0.000 1.115 130 F HN 0.400 nan 8.300 nan 0.000 0.592 131 D N 3.117 122.835 120.400 -1.137 0.000 2.738 131 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 131 D C 0.182 175.959 176.300 -0.870 0.000 1.345 131 D CA 0.044 53.578 54.000 -0.776 0.000 0.943 131 D CB 1.871 42.462 40.800 -0.348 0.000 1.514 131 D HN 0.570 nan 8.370 nan 0.000 0.585 132 S N 1.812 117.124 115.700 -0.647 0.000 2.515 132 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 132 S C 1.573 176.091 174.600 -0.137 0.000 0.987 132 S CA 0.788 58.790 58.200 -0.331 0.000 0.936 132 S CB 0.160 63.337 63.200 -0.038 0.000 0.766 132 S HN 0.409 nan 8.310 nan 0.000 0.528 133 A N 0.620 123.387 122.820 -0.090 0.000 2.251 133 A HA 0.276 4.596 4.320 -0.000 0.000 0.209 133 A C 0.958 178.573 177.584 0.052 0.000 1.187 133 A CA 0.580 52.618 52.037 0.001 0.000 0.823 133 A CB -0.066 18.956 19.000 0.037 0.000 0.846 133 A HN 0.442 nan 8.150 nan 0.000 0.486 134 D N -0.324 120.096 120.400 0.033 0.000 2.772 134 D HA 0.232 4.872 4.640 -0.000 0.000 0.326 134 D C -1.305 174.989 176.300 -0.010 0.000 1.207 134 D CA -0.212 53.837 54.000 0.082 0.000 0.777 134 D CB 0.177 41.127 40.800 0.250 0.000 1.169 134 D HN 0.037 nan 8.370 nan 0.000 0.506 135 D N 1.127 121.515 120.400 -0.020 0.000 2.613 135 D HA 0.228 4.868 4.640 -0.000 0.000 0.312 135 D C -1.740 174.591 176.300 0.051 0.000 1.202 135 D CA -1.636 52.374 54.000 0.018 0.000 0.825 135 D CB 1.290 42.127 40.800 0.061 0.000 1.113 135 D HN 0.095 nan 8.370 nan 0.000 0.502 136 P HA 0.043 nan 4.420 nan 0.000 0.237 136 P C 0.117 177.439 177.300 0.036 0.000 1.178 136 P CA 0.484 63.609 63.100 0.042 0.000 0.766 136 P CB 0.625 32.350 31.700 0.042 0.000 0.876 137 D N -0.646 119.777 120.400 0.039 0.000 2.379 137 D HA 0.136 4.776 4.640 -0.000 0.000 0.208 137 D C 1.390 177.713 176.300 0.038 0.000 1.065 137 D CA 0.560 54.578 54.000 0.029 0.000 0.848 137 D CB -0.203 40.609 40.800 0.019 0.000 0.949 137 D HN 0.127 nan 8.370 nan 0.000 0.509 138 G N 2.080 110.917 108.800 0.062 0.000 2.273 138 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.280 138 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.280 138 G C 1.066 176.003 174.900 0.061 0.000 1.047 138 G CA 0.295 45.439 45.100 0.073 0.000 0.869 138 G HN 0.316 nan 8.290 nan 0.000 0.502 139 R N 0.083 120.627 120.500 0.074 0.000 2.119 139 R HA 0.350 4.690 4.340 -0.000 0.000 0.222 139 R C 1.785 178.061 176.300 -0.041 0.000 1.088 139 R CA 0.846 56.960 56.100 0.023 0.000 0.984 139 R CB -0.070 30.244 30.300 0.023 0.000 0.884 139 R HN 1.673 nan 8.270 nan 0.000 0.447 140 G N 0.524 109.311 108.800 -0.023 0.000 2.814 140 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.677 140 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.677 140 G C -0.516 173.816 174.900 -0.947 0.000 1.429 140 G CA -0.276 44.546 45.100 -0.464 0.000 0.868 140 G HN 0.226 nan 8.290 nan 0.000 0.553 141 S N -0.501 114.333 115.700 -1.444 0.000 2.565 141 S HA 0.685 5.155 4.470 -0.000 0.000 0.276 141 S C 0.620 174.960 174.600 -0.434 0.000 1.326 141 S CA 0.730 58.301 58.200 -1.049 0.000 1.045 141 S CB 0.817 63.511 63.200 -0.844 0.000 0.918 141 S HN 2.210 nan 8.310 nan 0.000 0.505 142 A N 4.604 127.269 122.820 -0.258 0.000 2.328 142 A HA 0.540 4.860 4.320 -0.000 0.000 0.318 142 A C 0.409 178.034 177.584 0.069 0.000 1.347 142 A CA -0.752 51.234 52.037 -0.086 0.000 0.842 142 A CB -0.232 18.720 19.000 -0.081 0.000 1.148 142 A HN 0.992 nan 8.150 nan 0.000 0.499 143 N N 1.454 120.177 118.700 0.040 0.000 2.693 143 N HA -0.257 4.483 4.740 -0.000 0.000 0.249 143 N C 1.028 176.538 175.510 -0.000 0.000 1.119 143 N CA 2.327 55.425 53.050 0.081 0.000 0.717 143 N CB -1.148 37.466 38.487 0.211 0.000 1.071 143 N HN 1.977 nan 8.380 nan 0.000 0.555 144 G N -2.156 106.598 108.800 -0.076 0.000 2.213 144 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.226 144 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.226 144 G C -0.147 174.645 174.900 -0.181 0.000 0.992 144 G CA 0.180 45.183 45.100 -0.162 0.000 0.632 144 G HN 0.406 nan 8.290 nan 0.000 0.511 145 Y N 0.895 121.193 120.300 -0.003 0.000 2.320 145 Y HA 0.629 5.179 4.550 -0.000 0.000 0.324 145 Y C 1.066 176.890 175.900 -0.127 0.000 1.190 145 Y CA -0.714 57.374 58.100 -0.019 0.000 1.215 145 Y CB 0.827 39.314 38.460 0.044 0.000 1.221 145 Y HN 0.157 nan 8.280 nan 0.000 0.486 146 R N 2.366 122.961 120.500 0.159 0.000 2.316 146 R HA 0.089 4.429 4.340 -0.000 0.000 0.314 146 R C -0.496 175.741 176.300 -0.105 0.000 1.069 146 R CA -0.164 55.994 56.100 0.097 0.000 0.959 146 R CB 0.400 30.768 30.300 0.113 0.000 0.987 146 R HN 0.775 nan 8.270 nan 0.000 0.446 147 Q N 2.797 122.491 119.800 -0.177 0.000 3.179 147 Q HA 0.046 4.386 4.340 -0.000 0.000 0.328 147 Q C 0.190 176.181 176.000 -0.014 0.000 1.336 147 Q CA -0.200 55.475 55.803 -0.213 0.000 0.939 147 Q CB 0.396 29.032 28.738 -0.170 0.000 1.658 147 Q HN 0.656 nan 8.270 nan 0.000 0.486 148 S N -1.529 114.198 115.700 0.046 0.000 2.626 148 S HA 0.050 4.520 4.470 -0.000 0.000 0.257 148 S C 1.263 175.810 174.600 -0.089 0.000 1.288 148 S CA -0.586 57.622 58.200 0.015 0.000 0.980 148 S CB 1.108 64.400 63.200 0.154 0.000 0.975 148 S HN 0.265 nan 8.310 nan 0.000 0.577 149 V N 0.661 120.405 119.914 -0.282 0.000 2.392 149 V HA -0.129 3.991 4.120 -0.000 0.000 0.249 149 V C 1.849 177.613 176.094 -0.549 0.000 1.059 149 V CA 2.001 64.029 62.300 -0.452 0.000 1.051 149 V CB -1.219 30.288 31.823 -0.526 0.000 0.658 149 V HN 0.787 nan 8.190 nan 0.000 0.455 150 F N -0.713 119.133 119.950 -0.173 0.000 2.102 150 F HA -0.107 4.420 4.527 0.000 0.000 0.298 150 F C 2.279 177.808 175.800 -0.451 0.000 1.105 150 F CA 2.088 59.857 58.000 -0.385 0.000 1.239 150 F CB -1.375 37.081 39.000 -0.905 0.000 0.991 150 F HN 0.263 nan 8.300 nan 0.000 0.474 151 Y N 1.188 121.300 120.300 -0.312 0.000 2.181 151 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 151 Y C 2.502 178.392 175.900 -0.018 0.000 1.146 151 Y CA 1.450 59.535 58.100 -0.025 0.000 1.164 151 Y CB -0.294 38.223 38.460 0.096 0.000 0.982 151 Y HN -0.104 nan 8.280 nan 0.000 0.515 152 R N -0.499 120.050 120.500 0.082 0.000 2.062 152 R HA -0.166 4.174 4.340 -0.000 0.000 0.231 152 R C 2.283 178.499 176.300 -0.139 0.000 1.136 152 R CA 1.555 57.647 56.100 -0.014 0.000 0.948 152 R CB -0.410 29.840 30.300 -0.082 0.000 0.845 152 R HN 0.386 nan 8.270 nan 0.000 0.430 153 Q N -0.180 119.446 119.800 -0.290 0.000 2.119 153 Q HA -0.100 4.240 4.340 -0.000 0.000 0.201 153 Q C 1.814 177.686 176.000 -0.214 0.000 0.972 153 Q CA 1.373 56.935 55.803 -0.401 0.000 0.847 153 Q CB -0.020 28.096 28.738 -1.037 0.000 0.903 153 Q HN 0.294 nan 8.270 nan 0.000 0.433 154 F N -0.320 119.505 119.950 -0.209 0.000 2.780 154 F HA 0.119 4.646 4.527 0.000 0.000 0.299 154 F C 1.586 177.286 175.800 -0.167 0.000 1.146 154 F CA 0.868 58.794 58.000 -0.123 0.000 1.428 154 F CB 0.028 39.005 39.000 -0.038 0.000 1.115 154 F HN 0.214 nan 8.300 nan 0.000 0.583 155 G N 0.116 108.866 108.800 -0.084 0.000 2.153 155 G HA2 0.025 3.985 3.960 -0.000 0.000 0.252 155 G HA3 0.025 3.985 3.960 -0.000 0.000 0.252 155 G C 0.574 175.299 174.900 -0.291 0.000 0.994 155 G CA 0.136 45.151 45.100 -0.142 0.000 0.698 155 G HN 1.014 nan 8.290 nan 0.000 0.521 156 G N -1.800 106.662 108.800 -0.564 0.000 2.351 156 G HA2 0.577 4.537 3.960 -0.000 0.000 0.279 156 G HA3 0.577 4.537 3.960 -0.000 0.000 0.279 156 G C -2.239 172.228 174.900 -0.722 0.000 1.297 156 G CA 0.348 44.874 45.100 -0.956 0.000 0.886 156 G HN 0.378 nan 8.290 nan 0.000 0.493 157 P HA 0.132 nan 4.420 nan 0.000 0.245 157 P C 0.787 177.867 177.300 -0.366 0.000 1.212 157 P CA 0.749 63.555 63.100 -0.489 0.000 0.774 157 P CB 0.235 31.396 31.700 -0.898 0.000 0.999 158 E N -0.202 119.885 120.200 -0.187 0.000 2.265 158 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 158 E C 1.786 178.271 176.600 -0.192 0.000 0.996 158 E CA 1.053 57.398 56.400 -0.091 0.000 0.832 158 E CB -1.373 28.372 29.700 0.075 0.000 0.756 158 E HN 0.559 nan 8.360 nan 0.000 0.491 159 Y N -0.635 119.344 120.300 -0.535 0.000 2.333 159 Y HA -0.069 4.481 4.550 0.000 0.000 0.290 159 Y C 1.765 177.466 175.900 -0.331 0.000 1.144 159 Y CA 0.732 58.194 58.100 -1.062 0.000 1.228 159 Y CB -0.502 37.116 38.460 -1.403 0.000 0.985 159 Y HN -0.026 nan 8.280 nan 0.000 0.542 160 I N 1.084 121.110 120.570 -0.907 0.000 2.202 160 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 160 I C 1.718 177.848 176.117 0.022 0.000 1.091 160 I CA 1.752 62.789 61.300 -0.438 0.000 1.368 160 I CB -0.492 37.270 38.000 -0.396 0.000 1.058 160 I HN 0.172 nan 8.210 nan 0.000 0.410 161 D N 0.653 121.029 120.400 -0.040 0.000 2.123 161 D HA -0.249 4.391 4.640 -0.000 0.000 0.196 161 D C 2.014 178.394 176.300 0.132 0.000 0.992 161 D CA 1.344 55.383 54.000 0.065 0.000 0.833 161 D CB -0.192 40.614 40.800 0.011 0.000 0.954 161 D HN 0.414 nan 8.370 nan 0.000 0.455 162 E N 0.375 120.632 120.200 0.095 0.000 2.047 162 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 162 E C 2.046 178.768 176.600 0.202 0.000 0.987 162 E CA 1.052 57.555 56.400 0.172 0.000 0.799 162 E CB -0.101 29.739 29.700 0.235 0.000 0.752 162 E HN 0.194 nan 8.360 nan 0.000 0.449 163 A N 0.549 123.498 122.820 0.214 0.000 1.873 163 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 163 A C 2.005 179.562 177.584 -0.046 0.000 1.193 163 A CA 1.788 53.883 52.037 0.096 0.000 0.629 163 A CB -1.202 17.833 19.000 0.059 0.000 0.826 163 A HN 0.409 nan 8.150 nan 0.000 0.447 164 F N -0.340 119.633 119.950 0.039 0.000 2.095 164 F HA -0.178 4.349 4.527 0.000 0.000 0.298 164 F C 2.652 178.465 175.800 0.022 0.000 1.104 164 F CA 1.996 60.013 58.000 0.028 0.000 1.232 164 F CB -0.322 38.693 39.000 0.025 0.000 0.987 164 F HN 0.113 nan 8.300 nan 0.000 0.475 165 R N -0.337 120.286 120.500 0.205 0.000 2.096 165 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 165 R C 2.326 178.674 176.300 0.080 0.000 1.127 165 R CA 1.140 57.316 56.100 0.127 0.000 0.968 165 R CB -0.290 30.076 30.300 0.109 0.000 0.861 165 R HN 0.254 nan 8.270 nan 0.000 0.440 166 R N -0.053 120.483 120.500 0.061 0.000 2.090 166 R HA 0.016 4.356 4.340 -0.000 0.000 0.228 166 R C 2.263 178.542 176.300 -0.036 0.000 1.110 166 R CA 1.052 57.161 56.100 0.014 0.000 0.973 166 R CB -0.158 30.146 30.300 0.006 0.000 0.869 166 R HN 0.176 nan 8.270 nan 0.000 0.440 167 A N 1.210 123.989 122.820 -0.068 0.000 1.877 167 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 167 A C 2.111 179.688 177.584 -0.011 0.000 1.186 167 A CA 1.541 53.512 52.037 -0.109 0.000 0.620 167 A CB -0.387 18.507 19.000 -0.177 0.000 0.822 167 A HN 0.120 nan 8.150 nan 0.000 0.443 168 R N 0.241 120.767 120.500 0.044 0.000 2.083 168 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 168 R C 2.157 178.483 176.300 0.043 0.000 1.137 168 R CA 2.132 58.273 56.100 0.068 0.000 0.951 168 R CB -0.940 29.414 30.300 0.089 0.000 0.851 168 R HN 0.390 nan 8.270 nan 0.000 0.434 169 A N -0.030 122.808 122.820 0.029 0.000 1.902 169 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 169 A C 2.337 179.923 177.584 0.003 0.000 1.181 169 A CA 1.817 53.864 52.037 0.017 0.000 0.623 169 A CB -0.963 18.046 19.000 0.016 0.000 0.818 169 A HN 0.507 nan 8.150 nan 0.000 0.443 170 A N -1.464 121.348 122.820 -0.014 0.000 1.970 170 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 170 A C 0.842 178.422 177.584 -0.007 0.000 1.170 170 A CA 1.465 53.483 52.037 -0.031 0.000 0.645 170 A CB -0.008 18.949 19.000 -0.072 0.000 0.816 170 A HN 0.391 nan 8.150 nan 0.000 0.447 171 D N -2.039 118.376 120.400 0.025 0.000 2.364 171 D HA 0.357 4.997 4.640 -0.000 0.000 0.251 171 D C -2.499 173.848 176.300 0.079 0.000 1.282 171 D CA -1.721 52.319 54.000 0.066 0.000 0.927 171 D CB 1.186 42.065 40.800 0.132 0.000 1.267 171 D HN -0.093 nan 8.370 nan 0.000 0.531 172 P HA -0.076 nan 4.420 nan 0.000 0.226 172 P C 1.180 178.525 177.300 0.075 0.000 1.146 172 P CA 1.100 64.237 63.100 0.062 0.000 0.773 172 P CB 0.208 31.934 31.700 0.043 0.000 0.772 173 T N -4.547 110.057 114.554 0.084 0.000 3.057 173 T HA 0.308 4.658 4.350 -0.000 0.000 0.254 173 T C 0.916 175.684 174.700 0.115 0.000 1.094 173 T CA -0.068 62.084 62.100 0.086 0.000 1.088 173 T CB -0.391 68.521 68.868 0.073 0.000 0.934 173 T HN -0.009 nan 8.240 nan 0.000 0.497 174 A N 1.313 124.226 122.820 0.156 0.000 2.354 174 A HA 0.472 4.792 4.320 -0.000 0.000 0.269 174 A C -0.011 177.695 177.584 0.203 0.000 1.109 174 A CA -0.626 51.534 52.037 0.205 0.000 0.800 174 A CB 0.211 19.411 19.000 0.333 0.000 1.045 174 A HN 0.539 nan 8.150 nan 0.000 0.489 175 E N 1.310 121.643 120.200 0.220 0.000 2.223 175 E HA 0.322 4.672 4.350 -0.000 0.000 0.282 175 E C -1.024 175.733 176.600 0.260 0.000 1.046 175 E CA 0.060 56.580 56.400 0.199 0.000 0.857 175 E CB 0.601 30.468 29.700 0.278 0.000 1.055 175 E HN 0.521 nan 8.360 nan 0.000 0.409 176 L N 4.616 125.929 121.223 0.149 0.000 2.272 176 L HA 0.383 4.723 4.340 -0.000 0.000 0.289 176 L C -0.740 176.266 176.870 0.226 0.000 1.032 176 L CA -0.711 54.308 54.840 0.298 0.000 0.810 176 L CB 0.280 42.569 42.059 0.383 0.000 1.205 176 L HN 0.485 nan 8.230 nan 0.000 0.422 177 Y N 1.619 122.189 120.300 0.450 0.000 2.446 177 Y HA 0.344 4.894 4.550 -0.000 0.000 0.338 177 Y C -0.340 175.875 175.900 0.526 0.000 1.055 177 Y CA -0.516 57.839 58.100 0.424 0.000 1.101 177 Y CB 1.806 40.461 38.460 0.324 0.000 1.221 177 Y HN 0.360 nan 8.280 nan 0.000 0.460 178 Y N 3.114 123.737 120.300 0.538 0.000 2.326 178 Y HA 0.418 4.968 4.550 -0.000 0.000 0.337 178 Y C -0.840 175.214 175.900 0.257 0.000 1.023 178 Y CA -0.792 57.562 58.100 0.423 0.000 1.143 178 Y CB 0.696 39.326 38.460 0.284 0.000 1.183 178 Y HN 0.699 nan 8.280 nan 0.000 0.485 179 N N 4.177 122.440 118.700 -0.728 0.000 2.284 179 N HA 0.412 5.152 4.740 -0.000 0.000 0.300 179 N C -2.080 173.105 175.510 -0.542 0.000 1.047 179 N CA -0.383 52.419 53.050 -0.413 0.000 0.821 179 N CB 1.434 39.833 38.487 -0.148 0.000 1.337 179 N HN 0.761 nan 8.380 nan 0.000 0.482 180 D N 0.470 120.705 120.400 -0.275 0.000 2.639 180 D HA 0.352 4.992 4.640 -0.000 0.000 0.271 180 D C -1.418 174.884 176.300 0.004 0.000 1.254 180 D CA -0.323 53.607 54.000 -0.116 0.000 0.810 180 D CB 1.101 41.854 40.800 -0.080 0.000 1.351 180 D HN 0.324 nan 8.370 nan 0.000 0.427 181 F N 0.186 120.153 119.950 0.029 0.000 2.541 181 F HA 0.566 5.093 4.527 -0.000 0.000 0.331 181 F C 1.010 176.874 175.800 0.107 0.000 1.057 181 F CA -0.742 57.311 58.000 0.087 0.000 0.975 181 F CB 0.665 39.771 39.000 0.177 0.000 1.246 181 F HN 0.241 nan 8.300 nan 0.000 0.484 182 N N -1.061 117.797 118.700 0.264 0.000 2.900 182 N HA -0.218 4.522 4.740 -0.000 0.000 0.240 182 N C 0.963 176.529 175.510 0.093 0.000 0.953 182 N CA 1.633 54.789 53.050 0.177 0.000 0.950 182 N CB -1.701 36.864 38.487 0.130 0.000 1.102 182 N HN 0.987 nan 8.380 nan 0.000 0.593 183 T N -1.566 113.040 114.554 0.088 0.000 3.118 183 T HA -0.052 4.298 4.350 -0.000 0.000 0.260 183 T C 1.364 176.257 174.700 0.321 0.000 1.139 183 T CA 1.089 63.261 62.100 0.120 0.000 1.085 183 T CB 0.087 68.933 68.868 -0.037 0.000 0.934 183 T HN 0.457 nan 8.240 nan 0.000 0.518 184 E N 1.683 122.077 120.200 0.323 0.000 2.489 184 E HA -0.027 4.323 4.350 -0.000 0.000 0.193 184 E C 1.195 177.831 176.600 0.060 0.000 1.057 184 E CA 0.353 56.872 56.400 0.197 0.000 0.866 184 E CB -0.174 29.605 29.700 0.131 0.000 0.916 184 E HN 0.631 nan 8.360 nan 0.000 0.500 185 E N 0.888 121.128 120.200 0.066 0.000 2.427 185 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 185 E C 0.086 176.692 176.600 0.010 0.000 1.028 185 E CA 0.198 56.599 56.400 0.001 0.000 0.864 185 E CB -0.178 29.566 29.700 0.074 0.000 0.813 185 E HN 0.152 nan 8.360 nan 0.000 0.514 186 N N -0.305 118.421 118.700 0.043 0.000 2.754 186 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 186 N C -0.344 175.187 175.510 0.036 0.000 1.093 186 N CA 0.810 53.882 53.050 0.036 0.000 0.699 186 N CB -1.055 37.438 38.487 0.009 0.000 1.016 186 N HN 0.309 nan 8.380 nan 0.000 0.552 187 G N -1.400 107.428 108.800 0.046 0.000 3.039 187 G HA2 0.672 4.632 3.960 -0.000 0.000 0.159 187 G HA3 0.672 4.632 3.960 -0.000 0.000 0.159 187 G C 1.063 175.983 174.900 0.033 0.000 1.284 187 G CA 0.148 45.275 45.100 0.044 0.000 0.996 187 G HN 0.449 nan 8.290 nan 0.000 0.592 188 A N -0.466 122.373 122.820 0.032 0.000 1.948 188 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 188 A C 2.159 179.749 177.584 0.009 0.000 1.177 188 A CA 2.414 54.465 52.037 0.023 0.000 0.636 188 A CB -0.482 18.538 19.000 0.034 0.000 0.815 188 A HN 0.511 nan 8.150 nan 0.000 0.449 189 K N -1.246 119.158 120.400 0.007 0.000 2.103 189 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 189 K C 2.027 178.616 176.600 -0.017 0.000 1.052 189 K CA 1.470 57.744 56.287 -0.022 0.000 0.945 189 K CB -0.205 32.264 32.500 -0.053 0.000 0.722 189 K HN 0.495 nan 8.250 nan 0.000 0.443 190 T N 0.515 115.080 114.554 0.018 0.000 2.684 190 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 190 T C 1.726 176.435 174.700 0.015 0.000 1.036 190 T CA 1.998 64.123 62.100 0.041 0.000 1.148 190 T CB -0.465 68.448 68.868 0.074 0.000 0.863 190 T HN 0.334 nan 8.240 nan 0.000 0.436 191 T N 2.149 116.705 114.554 0.003 0.000 2.684 191 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 191 T C 2.430 177.104 174.700 -0.043 0.000 1.036 191 T CA 1.224 63.317 62.100 -0.012 0.000 1.148 191 T CB -0.646 68.218 68.868 -0.007 0.000 0.863 191 T HN 0.453 nan 8.240 nan 0.000 0.436 192 A N 1.246 124.027 122.820 -0.064 0.000 1.940 192 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 192 A C 2.266 179.755 177.584 -0.159 0.000 1.176 192 A CA 1.393 53.351 52.037 -0.132 0.000 0.631 192 A CB -0.808 18.102 19.000 -0.150 0.000 0.814 192 A HN 0.418 nan 8.150 nan 0.000 0.446 193 L N -0.122 121.037 121.223 -0.106 0.000 2.017 193 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 193 L C 2.352 179.164 176.870 -0.096 0.000 1.073 193 L CA 1.932 56.709 54.840 -0.106 0.000 0.745 193 L CB -0.535 41.492 42.059 -0.054 0.000 0.894 193 L HN 0.136 nan 8.230 nan 0.000 0.432 194 V N 0.382 120.265 119.914 -0.051 0.000 2.332 194 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 194 V C 2.219 178.279 176.094 -0.056 0.000 1.055 194 V CA 2.387 64.666 62.300 -0.035 0.000 1.038 194 V CB -1.009 30.808 31.823 -0.011 0.000 0.651 194 V HN 0.591 nan 8.190 nan 0.000 0.450 195 N N -0.159 118.500 118.700 -0.069 0.000 2.188 195 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 195 N C 1.883 177.355 175.510 -0.063 0.000 1.018 195 N CA 1.129 54.143 53.050 -0.060 0.000 0.858 195 N CB -0.136 38.313 38.487 -0.062 0.000 0.989 195 N HN 0.446 nan 8.380 nan 0.000 0.426 196 L N 0.997 122.145 121.223 -0.126 0.000 1.994 196 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 196 L C 1.929 178.715 176.870 -0.140 0.000 1.071 196 L CA 1.223 55.992 54.840 -0.120 0.000 0.745 196 L CB -0.263 41.629 42.059 -0.277 0.000 0.892 196 L HN -0.015 nan 8.230 nan 0.000 0.431 197 V N -0.171 119.641 119.914 -0.170 0.000 2.343 197 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 197 V C 2.507 178.538 176.094 -0.104 0.000 1.051 197 V CA 1.928 64.137 62.300 -0.152 0.000 1.036 197 V CB -0.663 31.093 31.823 -0.111 0.000 0.654 197 V HN 0.544 nan 8.190 nan 0.000 0.451 198 Q N 0.501 120.259 119.800 -0.071 0.000 2.124 198 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 198 Q C 2.321 178.294 176.000 -0.046 0.000 0.977 198 Q CA 1.854 57.628 55.803 -0.049 0.000 0.850 198 Q CB -0.437 28.282 28.738 -0.032 0.000 0.901 198 Q HN 0.568 nan 8.270 nan 0.000 0.429 199 R N -0.589 119.889 120.500 -0.037 0.000 2.081 199 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 199 R C 2.159 178.426 176.300 -0.054 0.000 1.131 199 R CA 1.396 57.482 56.100 -0.024 0.000 0.960 199 R CB -0.306 30.006 30.300 0.020 0.000 0.856 199 R HN 0.354 nan 8.270 nan 0.000 0.436 200 L N 0.658 121.825 121.223 -0.094 0.000 2.017 200 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 200 L C 2.529 179.329 176.870 -0.117 0.000 1.073 200 L CA 1.259 56.016 54.840 -0.138 0.000 0.745 200 L CB -0.522 41.390 42.059 -0.246 0.000 0.894 200 L HN 0.272 nan 8.230 nan 0.000 0.432 201 L N -0.208 120.952 121.223 -0.105 0.000 2.012 201 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 201 L C 2.375 179.213 176.870 -0.054 0.000 1.073 201 L CA 1.162 55.954 54.840 -0.080 0.000 0.748 201 L CB -0.697 41.322 42.059 -0.067 0.000 0.891 201 L HN 0.355 nan 8.230 nan 0.000 0.431 202 N N 0.106 118.779 118.700 -0.044 0.000 2.205 202 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 202 N C 1.405 176.899 175.510 -0.027 0.000 1.015 202 N CA 1.064 54.096 53.050 -0.029 0.000 0.862 202 N CB -0.450 38.024 38.487 -0.022 0.000 0.986 202 N HN 0.306 nan 8.380 nan 0.000 0.429 203 N N -0.264 118.415 118.700 -0.035 0.000 2.398 203 N HA 0.089 4.829 4.740 -0.000 0.000 0.188 203 N C 0.803 176.298 175.510 -0.024 0.000 1.122 203 N CA 0.647 53.681 53.050 -0.027 0.000 0.866 203 N CB 0.181 38.649 38.487 -0.031 0.000 0.970 203 N HN 0.304 nan 8.380 nan 0.000 0.462 204 G N -0.188 108.592 108.800 -0.033 0.000 2.147 204 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 204 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 204 G C -0.074 174.809 174.900 -0.029 0.000 1.005 204 G CA 0.212 45.296 45.100 -0.026 0.000 0.713 204 G HN 0.180 nan 8.290 nan 0.000 0.515 205 V N 2.142 122.024 119.914 -0.055 0.000 2.572 205 V HA 0.306 4.426 4.120 -0.000 0.000 0.291 205 V C -0.828 175.216 176.094 -0.084 0.000 1.039 205 V CA -0.520 61.742 62.300 -0.063 0.000 1.055 205 V CB 1.161 32.907 31.823 -0.128 0.000 0.969 205 V HN 0.285 nan 8.190 nan 0.000 0.482 206 P HA 0.222 nan 4.420 nan 0.000 0.249 206 P C -0.448 176.852 177.300 0.000 0.000 1.737 206 P CA 0.279 63.386 63.100 0.011 0.000 1.128 206 P CB 0.147 31.894 31.700 0.078 0.000 1.942 207 I N 1.366 121.829 120.570 -0.178 0.000 2.377 207 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 207 I C 0.303 176.334 176.117 -0.144 0.000 0.987 207 I CA -0.557 60.570 61.300 -0.288 0.000 1.185 207 I CB 1.723 39.347 38.000 -0.627 0.000 1.341 207 I HN -0.081 nan 8.210 nan 0.000 0.455 208 D N 5.491 125.817 120.400 -0.124 0.000 2.392 208 D HA 0.284 4.924 4.640 -0.000 0.000 0.206 208 D C 0.443 176.567 176.300 -0.294 0.000 1.046 208 D CA 0.384 54.279 54.000 -0.175 0.000 0.865 208 D CB 1.273 41.978 40.800 -0.158 0.000 0.969 208 D HN 0.698 nan 8.370 nan 0.000 0.509 209 G N -0.323 108.233 108.800 -0.407 0.000 2.506 209 G HA2 0.436 4.396 3.960 -0.000 0.000 0.292 209 G HA3 0.436 4.396 3.960 -0.000 0.000 0.292 209 G C -1.848 173.091 174.900 0.065 0.000 1.425 209 G CA -0.456 44.462 45.100 -0.303 0.000 0.788 209 G HN -0.086 nan 8.290 nan 0.000 0.490 210 V N 0.137 120.252 119.914 0.335 0.000 2.487 210 V HA 0.764 4.884 4.120 -0.000 0.000 0.298 210 V C 0.711 177.042 176.094 0.394 0.000 1.028 210 V CA -0.086 62.422 62.300 0.347 0.000 0.860 210 V CB 1.614 33.544 31.823 0.179 0.000 0.991 210 V HN 1.202 nan 8.190 nan 0.000 0.427 211 G N 3.285 112.240 108.800 0.257 0.000 2.332 211 G HA2 0.622 4.582 3.960 -0.000 0.000 0.310 211 G HA3 0.622 4.582 3.960 -0.000 0.000 0.310 211 G C -1.123 173.721 174.900 -0.093 0.000 1.123 211 G CA -0.272 44.878 45.100 0.085 0.000 0.873 211 G HN 0.420 nan 8.290 nan 0.000 0.460 212 F N 1.040 121.000 119.950 0.017 0.000 2.385 212 F HA 0.278 4.805 4.527 0.000 0.000 0.360 212 F C 1.699 177.447 175.800 -0.087 0.000 1.122 212 F CA -0.479 57.520 58.000 -0.002 0.000 1.090 212 F CB 2.140 41.153 39.000 0.021 0.000 1.150 212 F HN 0.551 nan 8.300 nan 0.000 0.472 213 Q N 2.998 122.799 119.800 0.001 0.000 2.124 213 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 213 Q C 0.500 176.318 176.000 -0.303 0.000 0.977 213 Q CA 0.969 56.636 55.803 -0.226 0.000 0.850 213 Q CB -0.017 28.577 28.738 -0.240 0.000 0.901 213 Q HN 0.589 nan 8.270 nan 0.000 0.429 214 M N 0.440 119.998 119.600 -0.069 0.000 2.353 214 M HA -0.169 4.311 4.480 -0.000 0.000 0.202 214 M C -1.248 174.990 176.300 -0.105 0.000 0.434 214 M CA 0.766 56.038 55.300 -0.045 0.000 0.477 214 M CB -2.357 30.213 32.600 -0.050 0.000 1.592 214 M HN 0.293 nan 8.290 nan 0.000 0.895 215 H N 0.657 119.800 119.070 0.122 0.000 3.118 215 H HA 0.521 5.077 4.556 0.000 0.000 0.266 215 H C 0.632 176.033 175.328 0.121 0.000 1.465 215 H CA 0.028 56.164 56.048 0.146 0.000 1.460 215 H CB -0.003 29.894 29.762 0.225 0.000 1.661 215 H HN 0.475 nan 8.280 nan 0.000 0.516 216 V N 0.603 120.609 119.914 0.153 0.000 3.177 216 V HA 0.553 4.673 4.120 -0.000 0.000 0.319 216 V C 0.309 176.457 176.094 0.091 0.000 1.125 216 V CA -1.129 61.237 62.300 0.109 0.000 1.029 216 V CB 2.415 34.252 31.823 0.022 0.000 1.119 216 V HN 0.268 nan 8.190 nan 0.000 0.452 217 M N 1.512 121.184 119.600 0.120 0.000 2.613 217 M HA 0.477 4.957 4.480 -0.000 0.000 0.301 217 M C 0.851 177.203 176.300 0.088 0.000 1.205 217 M CA -0.660 54.711 55.300 0.117 0.000 0.950 217 M CB 0.674 33.385 32.600 0.185 0.000 1.585 217 M HN 0.775 nan 8.290 nan 0.000 0.490 218 N N 1.525 120.284 118.700 0.098 0.000 2.223 218 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 218 N C 0.668 176.227 175.510 0.081 0.000 1.016 218 N CA 1.349 54.449 53.050 0.083 0.000 0.863 218 N CB 0.041 38.596 38.487 0.113 0.000 0.983 218 N HN 0.637 nan 8.380 nan 0.000 0.429 219 D N -2.826 117.644 120.400 0.116 0.000 2.469 219 D HA -0.007 4.633 4.640 -0.000 0.000 0.215 219 D C -0.488 175.927 176.300 0.191 0.000 1.154 219 D CA -0.296 53.779 54.000 0.125 0.000 0.832 219 D CB -0.121 40.755 40.800 0.125 0.000 1.008 219 D HN 0.167 nan 8.370 nan 0.000 0.506 220 Y N 0.576 120.905 120.300 0.050 0.000 2.465 220 Y HA 0.319 4.870 4.550 0.000 0.000 0.323 220 Y C -2.917 173.018 175.900 0.059 0.000 1.191 220 Y CA -1.353 56.782 58.100 0.058 0.000 1.082 220 Y CB 2.135 40.644 38.460 0.081 0.000 1.334 220 Y HN -0.272 nan 8.280 nan 0.000 0.449 221 P HA 0.187 nan 4.420 nan 0.000 0.277 221 P C -0.647 176.421 177.300 -0.386 0.000 1.271 221 P CA -0.282 62.192 63.100 -1.044 0.000 0.795 221 P CB 1.009 32.234 31.700 -0.792 0.000 1.101 222 S N 0.045 115.579 115.700 -0.276 0.000 2.560 222 S HA -0.021 4.449 4.470 -0.000 0.000 0.284 222 S C 1.355 175.893 174.600 -0.103 0.000 1.327 222 S CA -0.428 57.702 58.200 -0.117 0.000 1.055 222 S CB -0.341 62.821 63.200 -0.064 0.000 0.868 222 S HN 0.379 nan 8.310 nan 0.000 0.506 223 I N 3.010 123.541 120.570 -0.065 0.000 2.335 223 I HA -0.095 4.075 4.170 -0.000 0.000 0.251 223 I C 2.361 178.444 176.117 -0.056 0.000 1.129 223 I CA 1.732 62.997 61.300 -0.058 0.000 1.402 223 I CB -1.225 36.753 38.000 -0.037 0.000 1.069 223 I HN 0.906 nan 8.210 nan 0.000 0.424 224 A N 0.253 123.046 122.820 -0.045 0.000 1.908 224 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 224 A C 2.147 179.702 177.584 -0.048 0.000 1.181 224 A CA 2.014 54.027 52.037 -0.040 0.000 0.627 224 A CB -0.837 18.147 19.000 -0.027 0.000 0.818 224 A HN 0.543 nan 8.150 nan 0.000 0.445 225 N N -0.060 118.604 118.700 -0.060 0.000 2.216 225 N HA -0.039 4.701 4.740 -0.000 0.000 0.183 225 N C 1.671 177.141 175.510 -0.067 0.000 1.017 225 N CA 1.300 54.315 53.050 -0.059 0.000 0.861 225 N CB -0.360 38.081 38.487 -0.077 0.000 0.986 225 N HN 0.566 nan 8.380 nan 0.000 0.428 226 I N 0.823 121.339 120.570 -0.090 0.000 2.226 226 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 226 I C 2.634 178.669 176.117 -0.136 0.000 1.100 226 I CA 0.877 62.111 61.300 -0.111 0.000 1.374 226 I CB -0.140 37.794 38.000 -0.111 0.000 1.057 226 I HN 0.093 nan 8.210 nan 0.000 0.413 227 R N 0.771 121.210 120.500 -0.102 0.000 2.073 227 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 227 R C 2.346 178.592 176.300 -0.090 0.000 1.134 227 R CA 1.539 57.579 56.100 -0.099 0.000 0.952 227 R CB -0.129 30.130 30.300 -0.068 0.000 0.850 227 R HN 0.388 nan 8.270 nan 0.000 0.433 228 Q N -0.372 119.391 119.800 -0.061 0.000 2.096 228 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 228 Q C 2.144 178.128 176.000 -0.027 0.000 0.982 228 Q CA 1.733 57.513 55.803 -0.038 0.000 0.850 228 Q CB -0.155 28.570 28.738 -0.022 0.000 0.901 228 Q HN 0.458 nan 8.270 nan 0.000 0.422 229 A N 0.793 123.598 122.820 -0.026 0.000 1.908 229 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 229 A C 2.050 179.650 177.584 0.027 0.000 1.181 229 A CA 1.574 53.636 52.037 0.041 0.000 0.627 229 A CB -0.513 18.543 19.000 0.094 0.000 0.818 229 A HN 0.307 nan 8.150 nan 0.000 0.445 230 M N -1.479 118.011 119.600 -0.183 0.000 2.175 230 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 230 M C 2.500 178.762 176.300 -0.064 0.000 1.063 230 M CA 1.675 56.830 55.300 -0.242 0.000 1.119 230 M CB -0.360 32.007 32.600 -0.388 0.000 1.377 230 M HN 0.572 nan 8.290 nan 0.000 0.415 231 Q N 0.768 120.529 119.800 -0.066 0.000 2.167 231 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 231 Q C 1.759 177.756 176.000 -0.006 0.000 0.970 231 Q CA 1.348 57.125 55.803 -0.043 0.000 0.855 231 Q CB 0.160 28.870 28.738 -0.046 0.000 0.911 231 Q HN 0.451 nan 8.270 nan 0.000 0.438 232 K N -0.099 120.312 120.400 0.018 0.000 2.097 232 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 232 K C 1.884 178.515 176.600 0.051 0.000 1.050 232 K CA 0.863 57.170 56.287 0.034 0.000 0.938 232 K CB 0.134 32.660 32.500 0.044 0.000 0.718 232 K HN 0.224 nan 8.250 nan 0.000 0.442 233 I N 0.454 121.082 120.570 0.096 0.000 2.400 233 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 233 I C 2.224 178.382 176.117 0.067 0.000 1.109 233 I CA 0.920 62.286 61.300 0.110 0.000 1.425 233 I CB -0.863 37.278 38.000 0.235 0.000 1.094 233 I HN -0.115 nan 8.210 nan 0.000 0.425 234 V N 1.850 121.794 119.914 0.049 0.000 2.324 234 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 234 V C 2.726 178.819 176.094 -0.001 0.000 1.060 234 V CA 1.945 64.250 62.300 0.008 0.000 1.042 234 V CB -1.190 30.615 31.823 -0.031 0.000 0.650 234 V HN 0.475 nan 8.190 nan 0.000 0.450 235 A N -0.701 122.119 122.820 0.000 0.000 2.168 235 A HA 0.017 4.337 4.320 -0.000 0.000 0.215 235 A C 2.048 179.629 177.584 -0.004 0.000 1.152 235 A CA 0.921 52.955 52.037 -0.005 0.000 0.716 235 A CB -0.476 18.521 19.000 -0.005 0.000 0.794 235 A HN 0.562 nan 8.150 nan 0.000 0.465 236 L N -0.883 120.340 121.223 0.000 0.000 2.465 236 L HA 0.050 4.390 4.340 -0.000 0.000 0.224 236 L C 1.010 177.872 176.870 -0.014 0.000 1.145 236 L CA 0.756 55.591 54.840 -0.007 0.000 0.834 236 L CB -0.139 41.916 42.059 -0.008 0.000 0.944 236 L HN 0.423 nan 8.230 nan 0.000 0.451 237 S N -1.482 114.210 115.700 -0.013 0.000 2.552 237 S HA 0.391 4.861 4.470 -0.000 0.000 0.272 237 S C -2.346 172.245 174.600 -0.015 0.000 1.150 237 S CA -0.878 57.312 58.200 -0.017 0.000 0.849 237 S CB 1.754 64.941 63.200 -0.022 0.000 1.113 237 S HN -0.193 nan 8.310 nan 0.000 0.458 238 P HA 0.170 nan 4.420 nan 0.000 0.249 238 P C 0.852 178.144 177.300 -0.013 0.000 1.229 238 P CA 0.673 63.765 63.100 -0.014 0.000 0.788 238 P CB -0.017 31.676 31.700 -0.012 0.000 1.072 239 T N -4.801 109.745 114.554 -0.014 0.000 2.992 239 T HA 0.158 4.508 4.350 -0.000 0.000 0.255 239 T C 0.479 175.172 174.700 -0.011 0.000 0.938 239 T CA -0.227 61.866 62.100 -0.011 0.000 0.895 239 T CB -0.742 68.120 68.868 -0.010 0.000 1.221 239 T HN -0.110 nan 8.240 nan 0.000 0.512 240 L N 3.196 124.410 121.223 -0.015 0.000 2.601 240 L HA 0.284 4.624 4.340 -0.000 0.000 0.277 240 L C 0.213 177.092 176.870 0.014 0.000 1.219 240 L CA 0.299 55.131 54.840 -0.015 0.000 0.915 240 L CB 0.015 42.067 42.059 -0.011 0.000 1.160 240 L HN 0.153 nan 8.230 nan 0.000 0.494 241 K N 5.196 125.612 120.400 0.026 0.000 2.107 241 K HA 0.471 4.791 4.320 -0.000 0.000 0.251 241 K C -0.752 175.972 176.600 0.206 0.000 1.012 241 K CA -0.751 55.599 56.287 0.105 0.000 0.920 241 K CB 1.000 33.603 32.500 0.172 0.000 1.033 241 K HN 0.451 nan 8.250 nan 0.000 0.478 242 I N 1.946 122.650 120.570 0.222 0.000 2.465 242 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 242 I C -0.402 175.950 176.117 0.391 0.000 1.014 242 I CA -0.605 60.890 61.300 0.324 0.000 1.093 242 I CB 1.537 39.659 38.000 0.202 0.000 1.267 242 I HN 0.567 nan 8.210 nan 0.000 0.431 243 K N 6.550 127.167 120.400 0.362 0.000 2.471 243 K HA 0.599 4.919 4.320 -0.000 0.000 0.252 243 K C -1.295 175.354 176.600 0.081 0.000 0.938 243 K CA -0.555 55.794 56.287 0.103 0.000 0.796 243 K CB 2.036 34.340 32.500 -0.327 0.000 1.161 243 K HN 0.528 nan 8.250 nan 0.000 0.425 244 I N 4.689 125.221 120.570 -0.064 0.000 2.337 244 I HA 0.046 4.216 4.170 -0.000 0.000 0.291 244 I C 1.256 177.295 176.117 -0.130 0.000 1.046 244 I CA -0.117 61.133 61.300 -0.082 0.000 1.324 244 I CB 1.467 39.348 38.000 -0.198 0.000 1.409 244 I HN 0.845 nan 8.210 nan 0.000 0.494 245 T N 0.904 115.380 114.554 -0.129 0.000 3.023 245 T HA 0.176 4.526 4.350 -0.000 0.000 0.249 245 T C 0.790 175.408 174.700 -0.136 0.000 1.050 245 T CA 0.179 62.174 62.100 -0.174 0.000 1.088 245 T CB 0.144 68.893 68.868 -0.198 0.000 0.946 245 T HN 0.597 nan 8.240 nan 0.000 0.480 246 E N 0.988 121.039 120.200 -0.249 0.000 3.521 246 E HA 0.302 4.652 4.350 -0.000 0.000 0.183 246 E C -1.008 175.441 176.600 -0.252 0.000 0.981 246 E CA -0.477 55.707 56.400 -0.360 0.000 1.349 246 E CB 0.685 29.710 29.700 -1.124 0.000 1.102 246 E HN 0.217 nan 8.360 nan 0.000 0.449 247 L N 2.978 124.181 121.223 -0.033 0.000 2.513 247 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 247 L C -0.576 176.419 176.870 0.209 0.000 1.187 247 L CA 0.709 55.564 54.840 0.025 0.000 0.895 247 L CB 0.008 42.109 42.059 0.069 0.000 1.147 247 L HN 0.136 nan 8.230 nan 0.000 0.483 248 D N 3.205 123.720 120.400 0.192 0.000 2.583 248 D HA 0.562 5.202 4.640 -0.000 0.000 0.248 248 D C -1.419 174.947 176.300 0.111 0.000 1.209 248 D CA -0.597 53.578 54.000 0.292 0.000 0.848 248 D CB 1.621 42.701 40.800 0.465 0.000 1.431 248 D HN 0.204 nan 8.370 nan 0.000 0.436 249 V N 0.540 120.516 119.914 0.103 0.000 2.462 249 V HA 0.426 4.546 4.120 -0.000 0.000 0.288 249 V C -0.344 175.820 176.094 0.118 0.000 1.020 249 V CA -0.815 61.493 62.300 0.012 0.000 0.857 249 V CB 1.184 32.894 31.823 -0.188 0.000 1.013 249 V HN 0.418 nan 8.190 nan 0.000 0.431 250 R N 3.320 123.869 120.500 0.082 0.000 2.298 250 R HA 0.352 4.692 4.340 -0.000 0.000 0.310 250 R C 0.625 177.030 176.300 0.175 0.000 1.068 250 R CA -0.571 55.593 56.100 0.107 0.000 0.957 250 R CB 1.006 31.279 30.300 -0.046 0.000 1.003 250 R HN 0.524 nan 8.270 nan 0.000 0.454 251 L N 1.662 123.045 121.223 0.266 0.000 2.141 251 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 251 L C 0.440 177.504 176.870 0.324 0.000 1.094 251 L CA 1.504 56.529 54.840 0.309 0.000 0.763 251 L CB -0.377 41.913 42.059 0.384 0.000 0.908 251 L HN 0.519 nan 8.230 nan 0.000 0.437 252 N N 0.578 119.467 118.700 0.316 0.000 2.422 252 N HA 0.111 4.851 4.740 -0.000 0.000 0.266 252 N C -0.655 174.958 175.510 0.171 0.000 1.007 252 N CA -0.124 53.069 53.050 0.239 0.000 0.941 252 N CB 0.831 39.429 38.487 0.184 0.000 1.115 252 N HN -0.035 nan 8.380 nan 0.000 0.492 253 N N 3.506 122.249 118.700 0.072 0.000 2.558 253 N HA 0.357 5.097 4.740 -0.000 0.000 0.242 253 N C -2.019 173.413 175.510 -0.130 0.000 0.979 253 N CA -2.073 50.972 53.050 -0.009 0.000 0.931 253 N CB 1.578 40.090 38.487 0.040 0.000 1.122 253 N HN 0.180 nan 8.380 nan 0.000 0.508 254 P HA -0.084 nan 4.420 nan 0.000 0.218 254 P C 0.020 177.089 177.300 -0.385 0.000 1.148 254 P CA 1.371 64.172 63.100 -0.497 0.000 0.822 254 P CB 0.073 31.165 31.700 -1.012 0.000 0.784 255 Y N -1.025 119.254 120.300 -0.035 0.000 2.485 255 Y HA 0.085 4.635 4.550 -0.000 0.000 0.260 255 Y C 1.185 177.031 175.900 -0.089 0.000 1.173 255 Y CA -0.625 57.430 58.100 -0.074 0.000 1.252 255 Y CB -1.006 37.378 38.460 -0.125 0.000 1.123 255 Y HN 0.075 nan 8.280 nan 0.000 0.524 256 D N -1.511 118.907 120.400 0.031 0.000 2.340 256 D HA 0.115 4.755 4.640 -0.000 0.000 0.220 256 D C 1.940 178.248 176.300 0.013 0.000 1.039 256 D CA 0.649 54.658 54.000 0.016 0.000 0.866 256 D CB -0.282 40.529 40.800 0.018 0.000 0.913 256 D HN 0.255 nan 8.370 nan 0.000 0.523 257 G N 0.422 109.232 108.800 0.016 0.000 2.166 257 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 257 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 257 G C 0.031 174.930 174.900 -0.002 0.000 0.986 257 G CA 0.272 45.379 45.100 0.011 0.000 0.683 257 G HN 0.640 nan 8.290 nan 0.000 0.527 258 N N -0.182 118.512 118.700 -0.011 0.000 2.540 258 N HA 0.486 5.226 4.740 -0.000 0.000 0.275 258 N C 1.113 176.601 175.510 -0.037 0.000 1.053 258 N CA 0.178 53.216 53.050 -0.021 0.000 0.876 258 N CB 1.354 39.830 38.487 -0.019 0.000 1.284 258 N HN 0.230 nan 8.380 nan 0.000 0.518 259 S N 0.964 116.641 115.700 -0.039 0.000 2.528 259 S HA 0.007 4.477 4.470 -0.000 0.000 0.219 259 S C 1.286 175.848 174.600 -0.064 0.000 0.985 259 S CA 0.243 58.412 58.200 -0.052 0.000 0.914 259 S CB 0.011 63.185 63.200 -0.043 0.000 0.776 259 S HN 0.347 nan 8.310 nan 0.000 0.526 260 S N 3.360 119.024 115.700 -0.060 0.000 2.481 260 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 260 S C 1.445 175.979 174.600 -0.110 0.000 0.996 260 S CA 0.970 59.128 58.200 -0.071 0.000 0.942 260 S CB -0.388 62.780 63.200 -0.053 0.000 0.768 260 S HN 0.895 nan 8.310 nan 0.000 0.520 261 N N 1.344 119.970 118.700 -0.122 0.000 2.276 261 N HA 0.064 4.804 4.740 -0.000 0.000 0.212 261 N C -0.881 174.462 175.510 -0.279 0.000 1.127 261 N CA -0.208 52.726 53.050 -0.194 0.000 0.834 261 N CB -0.385 38.026 38.487 -0.127 0.000 1.014 261 N HN 0.052 nan 8.380 nan 0.000 0.491 262 N N 0.709 119.285 118.700 -0.206 0.000 2.479 262 N HA 0.139 4.879 4.740 -0.000 0.000 0.285 262 N C -1.145 174.265 175.510 -0.166 0.000 1.075 262 N CA -0.266 52.691 53.050 -0.155 0.000 0.967 262 N CB 0.457 38.899 38.487 -0.075 0.000 1.137 262 N HN 0.140 nan 8.380 nan 0.000 0.472 263 Y N 0.229 120.571 120.300 0.070 0.000 2.477 263 Y HA 0.124 4.674 4.550 -0.000 0.000 0.349 263 Y C 1.747 177.710 175.900 0.105 0.000 0.977 263 Y CA -0.497 57.672 58.100 0.116 0.000 1.214 263 Y CB 0.529 39.125 38.460 0.227 0.000 1.124 263 Y HN 0.530 nan 8.280 nan 0.000 0.521 264 T N -1.749 112.905 114.554 0.165 0.000 3.081 264 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 264 T C 0.361 175.099 174.700 0.063 0.000 1.100 264 T CA -0.100 62.038 62.100 0.064 0.000 1.038 264 T CB 0.043 68.918 68.868 0.013 0.000 0.962 264 T HN 0.428 nan 8.240 nan 0.000 0.516 265 N N 0.650 119.436 118.700 0.144 0.000 2.284 265 N HA 0.327 5.067 4.740 -0.000 0.000 0.300 265 N C 0.646 176.281 175.510 0.208 0.000 1.047 265 N CA -0.547 52.572 53.050 0.115 0.000 0.821 265 N CB 2.185 40.730 38.487 0.097 0.000 1.337 265 N HN -0.091 nan 8.380 nan 0.000 0.482 266 R N 2.562 123.140 120.500 0.130 0.000 2.159 266 R HA 0.049 4.389 4.340 -0.000 0.000 0.237 266 R C 0.717 177.213 176.300 0.327 0.000 1.131 266 R CA 1.638 57.855 56.100 0.195 0.000 0.982 266 R CB -0.325 30.006 30.300 0.052 0.000 0.868 266 R HN 0.586 nan 8.270 nan 0.000 0.453 267 N N 0.635 119.443 118.700 0.180 0.000 2.494 267 N HA -0.081 4.659 4.740 -0.000 0.000 0.182 267 N C 0.501 176.022 175.510 0.017 0.000 1.076 267 N CA 0.887 53.997 53.050 0.100 0.000 0.908 267 N CB -0.048 38.475 38.487 0.060 0.000 0.967 267 N HN 0.268 nan 8.380 nan 0.000 0.449 268 D N 0.281 120.701 120.400 0.034 0.000 2.104 268 D HA -0.078 4.562 4.640 -0.000 0.000 0.194 268 D C 0.835 176.865 176.300 -0.449 0.000 0.994 268 D CA 1.018 54.954 54.000 -0.106 0.000 0.830 268 D CB -0.003 40.830 40.800 0.056 0.000 0.959 268 D HN 0.238 nan 8.370 nan 0.000 0.452 269 c N 0.018 118.073 118.600 -0.908 0.000 2.969 269 c HA 0.606 5.176 4.570 -0.000 0.000 0.260 269 c C 1.889 175.325 174.090 -1.091 0.000 1.618 269 c CA -0.732 54.818 56.329 -1.298 0.000 1.774 269 c CB -0.417 40.827 42.510 -2.110 0.000 3.063 269 c HN 0.264 nan 8.230 nan 0.000 0.506 270 A N 0.445 122.985 122.820 -0.467 0.000 2.014 270 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 270 A C 1.752 179.269 177.584 -0.111 0.000 1.163 270 A CA 2.142 54.117 52.037 -0.103 0.000 0.652 270 A CB 0.014 19.054 19.000 0.066 0.000 0.808 270 A HN 0.388 nan 8.150 nan 0.000 0.449 271 V N -2.728 117.086 119.914 -0.166 0.000 3.161 271 V HA 0.280 4.400 4.120 -0.000 0.000 0.221 271 V C 0.648 176.657 176.094 -0.142 0.000 1.296 271 V CA 0.905 63.138 62.300 -0.111 0.000 1.306 271 V CB 0.541 32.322 31.823 -0.069 0.000 1.171 271 V HN 0.340 nan 8.190 nan 0.000 0.513 272 S N -0.221 115.374 115.700 -0.175 0.000 2.572 272 S HA 0.669 5.139 4.470 -0.000 0.000 0.274 272 S C -1.126 173.353 174.600 -0.201 0.000 1.150 272 S CA -0.138 57.969 58.200 -0.154 0.000 0.944 272 S CB 1.237 64.382 63.200 -0.092 0.000 1.071 272 S HN 0.935 nan 8.310 nan 0.000 0.479 273 c N 2.285 120.763 118.600 -0.203 0.000 3.253 273 c HA 0.789 5.359 4.570 -0.000 0.000 0.342 273 c C 1.612 175.639 174.090 -0.104 0.000 1.306 273 c CA -0.078 56.144 56.329 -0.179 0.000 1.207 273 c CB 0.530 42.807 42.510 -0.388 0.000 1.479 273 c HN 1.171 nan 8.230 nan 0.000 0.469 274 A N 1.419 124.249 122.820 0.016 0.000 1.917 274 A HA 0.147 4.467 4.320 -0.000 0.000 0.219 274 A C 2.222 179.844 177.584 0.063 0.000 1.182 274 A CA 3.070 55.142 52.037 0.059 0.000 0.633 274 A CB -1.426 17.636 19.000 0.105 0.000 0.819 274 A HN 2.334 nan 8.150 nan 0.000 0.448 275 G N -0.213 108.643 108.800 0.093 0.000 2.469 275 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.220 275 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.220 275 G C 1.515 176.409 174.900 -0.010 0.000 1.136 275 G CA 1.123 46.265 45.100 0.071 0.000 0.759 275 G HN 0.474 nan 8.290 nan 0.000 0.562 276 L N 0.378 121.535 121.223 -0.109 0.000 2.093 276 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 276 L C 2.477 179.343 176.870 -0.008 0.000 1.085 276 L CA 1.069 55.865 54.840 -0.074 0.000 0.755 276 L CB -0.340 41.631 42.059 -0.146 0.000 0.904 276 L HN 0.096 nan 8.230 nan 0.000 0.435 277 D N -0.159 120.236 120.400 -0.007 0.000 2.117 277 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 277 D C 2.225 178.549 176.300 0.039 0.000 0.982 277 D CA 0.985 54.993 54.000 0.014 0.000 0.828 277 D CB -0.150 40.656 40.800 0.010 0.000 0.967 277 D HN 0.068 nan 8.370 nan 0.000 0.464 278 R N 1.213 121.745 120.500 0.052 0.000 2.092 278 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 278 R C 2.053 178.404 176.300 0.086 0.000 1.119 278 R CA 1.437 57.577 56.100 0.067 0.000 0.970 278 R CB -0.697 29.649 30.300 0.077 0.000 0.864 278 R HN 0.212 nan 8.270 nan 0.000 0.440 279 Q N 0.223 120.087 119.800 0.106 0.000 2.170 279 Q HA -0.209 4.131 4.340 -0.000 0.000 0.203 279 Q C 1.867 178.006 176.000 0.232 0.000 0.976 279 Q CA 1.942 57.848 55.803 0.172 0.000 0.858 279 Q CB -0.098 28.764 28.738 0.207 0.000 0.907 279 Q HN 0.360 nan 8.270 nan 0.000 0.433 280 K N -0.292 120.195 120.400 0.145 0.000 2.057 280 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 280 K C 1.899 178.568 176.600 0.115 0.000 1.049 280 K CA 1.280 57.637 56.287 0.118 0.000 0.931 280 K CB -0.230 32.301 32.500 0.052 0.000 0.714 280 K HN 0.259 nan 8.250 nan 0.000 0.440 281 A N 1.129 123.999 122.820 0.084 0.000 1.969 281 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 281 A C 2.073 179.696 177.584 0.065 0.000 1.169 281 A CA 1.437 53.511 52.037 0.062 0.000 0.635 281 A CB -0.457 18.570 19.000 0.045 0.000 0.810 281 A HN 0.289 nan 8.150 nan 0.000 0.445 282 R N -1.061 119.481 120.500 0.071 0.000 2.062 282 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 282 R C 1.768 178.068 176.300 0.000 0.000 1.136 282 R CA 1.809 57.921 56.100 0.020 0.000 0.948 282 R CB -1.192 29.103 30.300 -0.009 0.000 0.845 282 R HN 0.516 nan 8.270 nan 0.000 0.430 283 Y N 0.947 121.263 120.300 0.027 0.000 2.114 283 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 283 Y C 2.406 178.310 175.900 0.005 0.000 1.165 283 Y CA 2.425 60.536 58.100 0.018 0.000 1.148 283 Y CB -0.345 38.124 38.460 0.015 0.000 0.972 283 Y HN 0.158 nan 8.280 nan 0.000 0.504 284 K N 0.672 121.165 120.400 0.155 0.000 2.057 284 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 284 K C 2.031 178.665 176.600 0.058 0.000 1.049 284 K CA 1.874 58.211 56.287 0.084 0.000 0.931 284 K CB -0.195 32.338 32.500 0.055 0.000 0.714 284 K HN 0.600 nan 8.250 nan 0.000 0.440 285 E N 0.387 120.612 120.200 0.042 0.000 2.150 285 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 285 E C 2.020 178.629 176.600 0.015 0.000 0.985 285 E CA 1.082 57.495 56.400 0.022 0.000 0.814 285 E CB -0.308 29.397 29.700 0.009 0.000 0.752 285 E HN 0.367 nan 8.360 nan 0.000 0.466 286 I N 1.397 121.972 120.570 0.008 0.000 2.202 286 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 286 I C 2.490 178.632 176.117 0.042 0.000 1.091 286 I CA 0.765 62.062 61.300 -0.005 0.000 1.368 286 I CB -0.169 37.798 38.000 -0.054 0.000 1.058 286 I HN 0.023 nan 8.210 nan 0.000 0.410 287 V N 0.452 120.406 119.914 0.068 0.000 2.255 287 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 287 V C 2.443 178.616 176.094 0.131 0.000 1.051 287 V CA 1.947 64.312 62.300 0.108 0.000 1.018 287 V CB -0.904 30.983 31.823 0.107 0.000 0.641 287 V HN 0.463 nan 8.190 nan 0.000 0.445 288 Q N -0.359 119.491 119.800 0.084 0.000 2.118 288 Q HA -0.299 4.041 4.340 -0.000 0.000 0.211 288 Q C 2.320 178.351 176.000 0.052 0.000 0.998 288 Q CA 2.258 58.099 55.803 0.063 0.000 0.872 288 Q CB -0.423 28.337 28.738 0.036 0.000 0.925 288 Q HN 0.710 nan 8.270 nan 0.000 0.414 289 A N -0.592 122.252 122.820 0.039 0.000 2.016 289 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 289 A C 1.743 179.326 177.584 -0.003 0.000 1.162 289 A CA 0.826 52.864 52.037 0.002 0.000 0.662 289 A CB -0.614 18.373 19.000 -0.022 0.000 0.812 289 A HN 0.534 nan 8.150 nan 0.000 0.450 290 Y N 0.788 121.036 120.300 -0.086 0.000 2.097 290 Y HA -0.210 4.340 4.550 0.000 0.000 0.282 290 Y C 1.906 177.739 175.900 -0.111 0.000 1.152 290 Y CA 2.094 60.124 58.100 -0.117 0.000 1.136 290 Y CB -0.320 38.078 38.460 -0.104 0.000 0.975 290 Y HN 0.222 nan 8.280 nan 0.000 0.498 291 L N 0.179 121.418 121.223 0.026 0.000 2.083 291 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 291 L C 2.315 179.125 176.870 -0.100 0.000 1.083 291 L CA 1.831 56.645 54.840 -0.043 0.000 0.752 291 L CB -0.609 41.504 42.059 0.090 0.000 0.899 291 L HN 0.338 nan 8.230 nan 0.000 0.433 292 E N -0.095 120.064 120.200 -0.067 0.000 2.152 292 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 292 E C 1.954 178.496 176.600 -0.096 0.000 0.983 292 E CA 1.626 57.989 56.400 -0.062 0.000 0.818 292 E CB -0.020 29.658 29.700 -0.036 0.000 0.758 292 E HN 0.567 nan 8.360 nan 0.000 0.467 293 V N -1.754 118.074 119.914 -0.144 0.000 3.523 293 V HA 0.148 4.268 4.120 -0.000 0.000 0.255 293 V C 0.871 176.845 176.094 -0.200 0.000 1.226 293 V CA -0.329 61.882 62.300 -0.148 0.000 1.092 293 V CB 0.534 32.278 31.823 -0.133 0.000 0.817 293 V HN -0.112 nan 8.190 nan 0.000 0.458 294 V N 4.038 123.758 119.914 -0.325 0.000 2.333 294 V HA 0.454 4.574 4.120 -0.000 0.000 0.274 294 V C -2.336 173.578 176.094 -0.299 0.000 1.028 294 V CA -1.787 60.281 62.300 -0.388 0.000 0.851 294 V CB 0.883 32.249 31.823 -0.762 0.000 1.000 294 V HN 0.303 nan 8.190 nan 0.000 0.456 295 P HA 0.224 nan 4.420 nan 0.000 0.270 295 P C -2.672 174.561 177.300 -0.112 0.000 1.223 295 P CA -1.646 61.382 63.100 -0.120 0.000 0.785 295 P CB -0.245 31.410 31.700 -0.075 0.000 0.923 296 P HA 0.055 nan 4.420 nan 0.000 0.265 296 P C 1.036 178.336 177.300 -0.001 0.000 1.193 296 P CA 1.351 64.446 63.100 -0.008 0.000 0.765 296 P CB -0.084 31.631 31.700 0.025 0.000 0.823 297 G N 3.193 112.006 108.800 0.022 0.000 2.234 297 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.235 297 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.235 297 G C 0.864 175.776 174.900 0.019 0.000 0.997 297 G CA -0.218 44.899 45.100 0.029 0.000 0.623 297 G HN 0.542 nan 8.290 nan 0.000 0.514 298 R N -0.222 120.268 120.500 -0.016 0.000 2.565 298 R HA 0.256 4.596 4.340 -0.000 0.000 0.347 298 R C 0.542 176.821 176.300 -0.036 0.000 1.010 298 R CA -0.447 55.643 56.100 -0.017 0.000 1.126 298 R CB 0.590 30.865 30.300 -0.042 0.000 1.331 298 R HN 0.165 nan 8.270 nan 0.000 0.552 299 R N 0.494 120.951 120.500 -0.071 0.000 2.308 299 R HA 0.142 4.482 4.340 -0.000 0.000 0.325 299 R C 1.016 177.359 176.300 0.071 0.000 1.161 299 R CA -0.148 55.866 56.100 -0.144 0.000 1.022 299 R CB 0.983 31.000 30.300 -0.470 0.000 1.091 299 R HN 0.175 nan 8.270 nan 0.000 0.497 300 G N 1.462 110.375 108.800 0.190 0.000 2.650 300 G HA2 0.225 4.185 3.960 -0.000 0.000 0.214 300 G HA3 0.225 4.185 3.960 -0.000 0.000 0.214 300 G C 0.552 175.537 174.900 0.141 0.000 1.136 300 G CA 0.616 45.860 45.100 0.239 0.000 0.789 300 G HN 0.800 nan 8.290 nan 0.000 0.536 301 G N -1.034 107.860 108.800 0.156 0.000 2.340 301 G HA2 0.198 4.158 3.960 -0.000 0.000 0.527 301 G HA3 0.198 4.158 3.960 -0.000 0.000 0.527 301 G C -1.435 173.443 174.900 -0.038 0.000 1.381 301 G CA -0.929 44.287 45.100 0.194 0.000 1.001 301 G HN 0.359 nan 8.290 nan 0.000 0.626 302 I N 0.860 121.463 120.570 0.054 0.000 2.447 302 I HA 0.523 4.693 4.170 -0.000 0.000 0.287 302 I C -0.212 175.925 176.117 0.032 0.000 1.023 302 I CA -0.630 60.623 61.300 -0.079 0.000 1.083 302 I CB 2.511 40.465 38.000 -0.077 0.000 1.245 302 I HN 0.460 nan 8.210 nan 0.000 0.434 303 T N 5.518 120.076 114.554 0.008 0.000 2.824 303 T HA 0.472 4.822 4.350 -0.000 0.000 0.282 303 T C -0.312 174.460 174.700 0.120 0.000 0.993 303 T CA -0.550 61.584 62.100 0.058 0.000 0.967 303 T CB 1.969 70.842 68.868 0.009 0.000 0.960 303 T HN 0.368 nan 8.240 nan 0.000 0.441 304 V N 0.843 120.851 119.914 0.158 0.000 2.539 304 V HA 0.525 4.645 4.120 -0.000 0.000 0.292 304 V C 0.020 176.249 176.094 0.225 0.000 1.045 304 V CA -1.094 61.349 62.300 0.239 0.000 0.945 304 V CB 1.483 33.478 31.823 0.287 0.000 0.993 304 V HN 1.011 nan 8.190 nan 0.000 0.464 305 W N 5.169 126.509 121.300 0.067 0.000 1.518 305 W HA 0.575 5.234 4.660 -0.000 0.000 0.426 305 W C 0.493 177.048 176.519 0.060 0.000 0.675 305 W CA 0.587 57.954 57.345 0.038 0.000 1.936 305 W CB 0.125 29.670 29.460 0.142 0.000 1.749 305 W HN 1.260 nan 8.180 nan 0.000 0.247 306 G N 1.313 110.001 108.800 -0.186 0.000 2.335 306 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.592 306 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.592 306 G C -0.197 174.655 174.900 -0.080 0.000 1.442 306 G CA -0.800 44.190 45.100 -0.184 0.000 0.976 306 G HN 0.204 nan 8.290 nan 0.000 0.652 307 I N 0.906 121.413 120.570 -0.105 0.000 2.364 307 I HA 0.406 4.576 4.170 -0.000 0.000 0.241 307 I C 1.669 177.861 176.117 0.125 0.000 1.082 307 I CA 1.305 62.588 61.300 -0.029 0.000 1.401 307 I CB -0.134 37.772 38.000 -0.157 0.000 1.126 307 I HN 0.815 nan 8.210 nan 0.000 0.429 308 A N 0.126 122.969 122.820 0.039 0.000 2.374 308 A HA 0.315 4.635 4.320 -0.000 0.000 0.317 308 A C 0.058 177.662 177.584 0.034 0.000 1.094 308 A CA -0.543 51.543 52.037 0.081 0.000 0.765 308 A CB 0.956 19.956 19.000 0.000 0.000 1.268 308 A HN 0.138 nan 8.150 nan 0.000 0.438 309 D N 1.581 122.028 120.400 0.079 0.000 2.133 309 D HA -0.131 4.509 4.640 -0.000 0.000 0.192 309 D C -0.721 175.441 176.300 -0.231 0.000 1.001 309 D CA 2.277 56.328 54.000 0.086 0.000 0.844 309 D CB -1.051 39.906 40.800 0.261 0.000 0.944 309 D HN 0.446 nan 8.370 nan 0.000 0.447 310 P HA -0.102 nan 4.420 nan 0.000 0.221 310 P C 0.512 177.519 177.300 -0.488 0.000 1.145 310 P CA 1.154 63.560 63.100 -1.156 0.000 0.795 310 P CB 0.033 31.253 31.700 -0.801 0.000 0.775 311 D N -0.528 119.729 120.400 -0.239 0.000 2.269 311 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 311 D C 1.031 177.318 176.300 -0.023 0.000 0.963 311 D CA 0.679 54.604 54.000 -0.126 0.000 0.864 311 D CB -0.526 40.200 40.800 -0.124 0.000 0.936 311 D HN 0.140 nan 8.370 nan 0.000 0.505 312 S N 1.222 116.948 115.700 0.045 0.000 2.549 312 S HA 0.013 4.483 4.470 -0.000 0.000 0.283 312 S C 1.386 176.156 174.600 0.284 0.000 1.320 312 S CA -0.841 57.490 58.200 0.219 0.000 1.058 312 S CB 0.457 63.803 63.200 0.243 0.000 0.882 312 S HN 0.363 nan 8.310 nan 0.000 0.498 313 W N 5.619 126.988 121.300 0.115 0.000 2.387 313 W HA -0.051 4.609 4.660 -0.000 0.000 0.272 313 W C 0.318 176.896 176.519 0.098 0.000 1.224 313 W CA 0.701 58.109 57.345 0.105 0.000 1.210 313 W CB -1.025 28.511 29.460 0.126 0.000 1.125 313 W HN 0.601 nan 8.180 nan 0.000 0.572 314 L N -0.014 121.050 121.223 -0.264 0.000 2.700 314 L HA 0.067 4.407 4.340 -0.000 0.000 0.234 314 L C 2.020 178.878 176.870 -0.021 0.000 1.156 314 L CA -0.352 54.294 54.840 -0.323 0.000 0.946 314 L CB -0.911 40.807 42.059 -0.570 0.000 1.216 314 L HN -0.221 nan 8.230 nan 0.000 0.493 315 Y N 2.129 122.368 120.300 -0.101 0.000 2.298 315 Y HA -0.172 4.378 4.550 -0.000 0.000 0.287 315 Y C 1.131 176.889 175.900 -0.237 0.000 1.164 315 Y CA 0.950 58.951 58.100 -0.164 0.000 1.229 315 Y CB 0.034 38.428 38.460 -0.109 0.000 0.977 315 Y HN 0.221 nan 8.280 nan 0.000 0.538 316 T N 0.194 114.657 114.554 -0.151 0.000 2.991 316 T HA 0.428 4.778 4.350 -0.000 0.000 0.303 316 T C -1.216 173.396 174.700 -0.147 0.000 1.015 316 T CA -0.737 61.209 62.100 -0.256 0.000 1.007 316 T CB 1.471 70.215 68.868 -0.207 0.000 1.034 316 T HN 0.408 nan 8.240 nan 0.000 0.446 317 H N 1.761 120.692 119.070 -0.232 0.000 2.894 317 H HA 0.406 4.962 4.556 0.000 0.000 0.367 317 H C -0.535 174.686 175.328 -0.178 0.000 1.144 317 H CA -0.989 54.929 56.048 -0.216 0.000 1.180 317 H CB 1.262 30.850 29.762 -0.289 0.000 1.758 317 H HN 0.503 nan 8.280 nan 0.000 0.541 318 Q N 1.904 121.667 119.800 -0.061 0.000 2.435 318 Q HA -0.267 4.073 4.340 -0.000 0.000 0.286 318 Q C -0.113 175.794 176.000 -0.156 0.000 1.229 318 Q CA 1.051 56.798 55.803 -0.094 0.000 0.884 318 Q CB -1.642 27.044 28.738 -0.087 0.000 1.245 318 Q HN 0.928 nan 8.270 nan 0.000 0.488 319 N N -1.552 117.054 118.700 -0.156 0.000 2.708 319 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 319 N C -0.390 174.991 175.510 -0.214 0.000 1.097 319 N CA 1.280 54.237 53.050 -0.156 0.000 0.710 319 N CB -0.996 37.429 38.487 -0.103 0.000 1.032 319 N HN 0.426 nan 8.380 nan 0.000 0.551 320 L N 0.399 121.416 121.223 -0.343 0.000 2.362 320 L HA 0.552 4.892 4.340 -0.000 0.000 0.271 320 L C -2.043 174.501 176.870 -0.543 0.000 1.002 320 L CA -1.747 52.850 54.840 -0.405 0.000 0.818 320 L CB 2.426 44.205 42.059 -0.467 0.000 1.298 320 L HN -0.206 nan 8.230 nan 0.000 0.420 321 P HA 0.214 nan 4.420 nan 0.000 0.274 321 P C -1.419 175.322 177.300 -0.932 0.000 1.231 321 P CA -0.133 62.511 63.100 -0.761 0.000 0.790 321 P CB 1.741 33.013 31.700 -0.713 0.000 0.951 322 D N 0.497 120.238 120.400 -1.098 0.000 2.615 322 D HA 0.321 4.961 4.640 -0.000 0.000 0.267 322 D C -1.214 174.607 176.300 -0.797 0.000 1.236 322 D CA -0.185 53.342 54.000 -0.788 0.000 0.839 322 D CB 1.486 42.264 40.800 -0.037 0.000 1.380 322 D HN 0.374 nan 8.370 nan 0.000 0.433 323 W N 2.139 123.493 121.300 0.091 0.000 2.104 323 W HA 0.259 4.919 4.660 -0.000 0.000 0.291 323 W C -2.276 174.342 176.519 0.165 0.000 0.936 323 W CA -1.207 56.223 57.345 0.142 0.000 1.856 323 W CB 1.344 30.843 29.460 0.065 0.000 2.036 323 W HN 0.195 nan 8.180 nan 0.000 0.393 324 P HA 0.031 nan 4.420 nan 0.000 0.245 324 P C 0.693 178.224 177.300 0.384 0.000 1.203 324 P CA 1.042 64.329 63.100 0.311 0.000 0.792 324 P CB 1.006 32.850 31.700 0.241 0.000 0.997 325 L N -1.884 119.537 121.223 0.330 0.000 2.391 325 L HA 0.359 4.699 4.340 -0.000 0.000 0.266 325 L C 1.616 178.555 176.870 0.115 0.000 1.035 325 L CA -1.017 53.993 54.840 0.283 0.000 0.877 325 L CB 0.516 42.729 42.059 0.256 0.000 1.504 325 L HN -0.316 nan 8.230 nan 0.000 0.503 326 L N -0.646 120.594 121.223 0.028 0.000 2.375 326 L HA 0.162 4.502 4.340 -0.000 0.000 0.215 326 L C -0.377 176.216 176.870 -0.462 0.000 1.108 326 L CA 0.628 55.314 54.840 -0.256 0.000 0.830 326 L CB 0.097 42.007 42.059 -0.247 0.000 0.959 326 L HN 0.247 nan 8.230 nan 0.000 0.457 327 F N 0.036 120.020 119.950 0.057 0.000 2.546 327 F HA 0.289 4.816 4.527 -0.000 0.000 0.320 327 F C 0.564 176.393 175.800 0.048 0.000 1.076 327 F CA -1.392 56.622 58.000 0.023 0.000 0.928 327 F CB 0.956 39.960 39.000 0.007 0.000 1.189 327 F HN -0.074 nan 8.300 nan 0.000 0.465 328 N N -0.084 118.739 118.700 0.204 0.000 2.443 328 N HA 0.114 4.854 4.740 -0.000 0.000 0.294 328 N C 0.154 175.739 175.510 0.125 0.000 1.289 328 N CA -0.330 52.822 53.050 0.171 0.000 0.966 328 N CB -0.036 38.533 38.487 0.138 0.000 1.122 328 N HN 0.541 nan 8.380 nan 0.000 0.569 329 D N -1.584 118.882 120.400 0.111 0.000 2.263 329 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 329 D C 0.312 176.624 176.300 0.020 0.000 0.971 329 D CA 1.027 55.051 54.000 0.041 0.000 0.867 329 D CB -0.108 40.742 40.800 0.082 0.000 0.929 329 D HN 0.419 nan 8.370 nan 0.000 0.492 330 N N -0.043 118.683 118.700 0.043 0.000 2.203 330 N HA 0.087 4.827 4.740 -0.000 0.000 0.207 330 N C 0.218 175.742 175.510 0.023 0.000 1.130 330 N CA -0.002 53.062 53.050 0.024 0.000 0.861 330 N CB 0.923 39.428 38.487 0.029 0.000 1.005 330 N HN -0.032 nan 8.380 nan 0.000 0.507 331 L N -0.075 121.177 121.223 0.048 0.000 4.406 331 L HA -0.211 4.129 4.340 -0.000 0.000 0.406 331 L C -0.441 176.502 176.870 0.120 0.000 1.133 331 L CA 0.882 55.739 54.840 0.029 0.000 0.974 331 L CB -1.600 40.416 42.059 -0.072 0.000 2.152 331 L HN 0.302 nan 8.230 nan 0.000 0.736 332 Q N 1.290 121.191 119.800 0.168 0.000 2.235 332 Q HA 0.411 4.751 4.340 -0.000 0.000 0.250 332 Q C -1.870 174.244 176.000 0.190 0.000 0.909 332 Q CA -1.673 54.231 55.803 0.169 0.000 0.910 332 Q CB 1.108 29.878 28.738 0.052 0.000 1.223 332 Q HN 0.135 nan 8.270 nan 0.000 0.432 333 P HA -0.002 nan 4.420 nan 0.000 0.266 333 P C -0.574 176.562 177.300 -0.273 0.000 1.195 333 P CA 0.391 63.163 63.100 -0.545 0.000 0.768 333 P CB 0.817 32.021 31.700 -0.826 0.000 0.838 334 K N 3.723 123.967 120.400 -0.261 0.000 2.210 334 K HA 0.330 4.650 4.320 -0.000 0.000 0.236 334 K C -1.614 174.948 176.600 -0.064 0.000 1.016 334 K CA -2.008 54.210 56.287 -0.114 0.000 0.913 334 K CB 0.075 32.527 32.500 -0.080 0.000 1.141 334 K HN 0.097 nan 8.250 nan 0.000 0.462 335 P HA -0.285 nan 4.420 nan 0.000 0.216 335 P C 0.808 178.094 177.300 -0.023 0.000 1.154 335 P CA 1.746 64.838 63.100 -0.014 0.000 0.865 335 P CB 0.059 31.752 31.700 -0.011 0.000 0.789 336 A N -1.208 121.584 122.820 -0.047 0.000 1.915 336 A HA -0.303 4.017 4.320 -0.000 0.000 0.220 336 A C 2.265 179.681 177.584 -0.280 0.000 1.198 336 A CA 2.133 54.078 52.037 -0.152 0.000 0.647 336 A CB -2.054 16.782 19.000 -0.274 0.000 0.825 336 A HN 0.229 nan 8.150 nan 0.000 0.456 337 Y N 0.167 120.238 120.300 -0.382 0.000 2.081 337 Y HA -0.307 4.243 4.550 0.000 0.000 0.280 337 Y C 2.630 178.399 175.900 -0.220 0.000 1.163 337 Y CA 2.516 60.393 58.100 -0.372 0.000 1.135 337 Y CB -0.214 37.974 38.460 -0.454 0.000 0.970 337 Y HN 0.319 nan 8.280 nan 0.000 0.498 338 Q N 0.085 119.839 119.800 -0.078 0.000 2.226 338 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 338 Q C 2.450 178.372 176.000 -0.131 0.000 0.975 338 Q CA 1.165 56.900 55.803 -0.114 0.000 0.866 338 Q CB -0.927 27.810 28.738 -0.002 0.000 0.915 338 Q HN 0.719 nan 8.270 nan 0.000 0.440 339 G N 0.261 109.005 108.800 -0.094 0.000 2.446 339 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 339 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 339 G C 1.612 176.475 174.900 -0.062 0.000 1.168 339 G CA 1.127 46.208 45.100 -0.032 0.000 0.771 339 G HN 0.292 nan 8.290 nan 0.000 0.551 340 V N 0.407 120.232 119.914 -0.149 0.000 2.307 340 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 340 V C 3.030 179.006 176.094 -0.197 0.000 1.045 340 V CA 1.429 63.640 62.300 -0.148 0.000 1.024 340 V CB -0.544 31.154 31.823 -0.208 0.000 0.651 340 V HN 0.237 nan 8.190 nan 0.000 0.449 341 V N 0.154 119.864 119.914 -0.340 0.000 2.282 341 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 341 V C 2.468 178.476 176.094 -0.143 0.000 1.057 341 V CA 2.439 64.569 62.300 -0.284 0.000 1.032 341 V CB -0.714 30.897 31.823 -0.354 0.000 0.645 341 V HN 0.640 nan 8.190 nan 0.000 0.447 342 E N -0.037 120.098 120.200 -0.108 0.000 2.077 342 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 342 E C 2.335 178.918 176.600 -0.028 0.000 0.989 342 E CA 1.245 57.613 56.400 -0.053 0.000 0.800 342 E CB -0.364 29.314 29.700 -0.036 0.000 0.746 342 E HN 0.617 nan 8.360 nan 0.000 0.452 343 A N 1.375 124.184 122.820 -0.018 0.000 1.865 343 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 343 A C 2.209 179.809 177.584 0.026 0.000 1.191 343 A CA 1.243 53.290 52.037 0.016 0.000 0.623 343 A CB -0.733 18.292 19.000 0.042 0.000 0.826 343 A HN 0.137 nan 8.150 nan 0.000 0.444 344 L N 0.322 121.547 121.223 0.005 0.000 2.275 344 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 344 L C 2.407 179.276 176.870 -0.002 0.000 1.119 344 L CA 1.343 56.193 54.840 0.017 0.000 0.790 344 L CB -0.237 41.798 42.059 -0.040 0.000 0.919 344 L HN 0.571 nan 8.230 nan 0.000 0.443 345 S N -0.743 114.943 115.700 -0.023 0.000 2.577 345 S HA 0.228 4.698 4.470 -0.000 0.000 0.219 345 S C 1.357 175.953 174.600 -0.007 0.000 0.962 345 S CA 0.204 58.391 58.200 -0.022 0.000 0.921 345 S CB 0.364 63.541 63.200 -0.039 0.000 0.789 345 S HN 0.473 nan 8.310 nan 0.000 0.497 346 G N 0.721 109.523 108.800 0.004 0.000 2.221 346 G HA2 0.177 4.137 3.960 -0.000 0.000 0.265 346 G HA3 0.177 4.137 3.960 -0.000 0.000 0.265 346 G C 0.426 175.327 174.900 0.002 0.000 1.041 346 G CA 0.552 45.657 45.100 0.008 0.000 0.807 346 G HN 1.795 nan 8.290 nan 0.000 0.502 347 R N 0.000 120.498 120.500 -0.004 0.000 2.786 347 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 347 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 347 R CB 0.000 nan 30.300 nan 0.000 0.687 347 R HN 0.000 nan 8.270 nan 0.000 0.535