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 3kjs_1_D DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDG XXXXXXXXXX ADSIVAVNGG LEQALQLLAS PNYTPSIETV DATA SEQUENCE YCIGGGSVYA EALRPPCVHL LQAIYRTTIR ASESSCSVFF RVPESGTEAA DATA SEQUENCE AGIEWQRETI SEELTSANGN ETKYYFEKLI PRNREEEQYL SLVDRIIREG DATA SEQUENCE NVKHDRTGVG TLSIFGAQMR FSLRNNRLPL LTTKRVFWRG VCEELLWFLR DATA SEQUENCE GETYAKKLSD KGVHIWDDNG SRAFLDSRGL TEYEEMDLGP VYGFQWRHFG DATA SEQUENCE AAYTHHDANY DGQGVDQIKA IVETLKTNPD DRRMLFTAWN PSALPRMALP DATA SEQUENCE PCHLLAQFYV SNGELSCMLY QRSCDMGLGV PFNIASYALL TILIAKATGL DATA SEQUENCE RPGELVHTLG DAHVYSNHVE PCNEQLKRVP RAFPYLVFRR EREFLEDYEE DATA SEQUENCE GDMEVIDYAP YPPI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.417 174.600 -0.305 0.000 1.055 2 S CA 0.000 57.982 58.200 -0.364 0.000 1.107 2 S CB 0.000 62.812 63.200 -0.647 0.000 0.593 3 L N 0.295 121.375 121.223 -0.239 0.000 2.127 3 L HA 0.120 4.460 4.340 0.000 0.000 0.211 3 L C 1.770 178.363 176.870 -0.461 0.000 1.089 3 L CA 1.669 56.273 54.840 -0.393 0.000 0.757 3 L CB -0.666 41.017 42.059 -0.626 0.000 0.899 3 L HN 0.359 nan 8.230 nan 0.000 0.434 4 F N -0.654 119.261 119.950 -0.059 0.000 2.776 4 F HA 0.125 4.652 4.527 0.000 0.000 0.300 4 F C 1.411 177.187 175.800 -0.039 0.000 1.116 4 F CA -0.158 57.825 58.000 -0.029 0.000 1.375 4 F CB -0.200 38.798 39.000 -0.003 0.000 1.109 4 F HN -0.140 nan 8.300 nan 0.000 0.585 5 K N 0.844 121.260 120.400 0.027 0.000 2.132 5 K HA 0.403 4.723 4.320 0.000 0.000 0.240 5 K C -0.278 176.409 176.600 0.145 0.000 1.036 5 K CA -0.305 55.990 56.287 0.013 0.000 0.888 5 K CB 0.791 33.129 32.500 -0.270 0.000 1.071 5 K HN -0.038 nan 8.250 nan 0.000 0.502 6 I N 1.740 122.454 120.570 0.239 0.000 2.354 6 I HA 0.219 4.389 4.170 0.000 0.000 0.286 6 I C 0.274 176.575 176.117 0.307 0.000 1.007 6 I CA -0.563 60.867 61.300 0.217 0.000 1.167 6 I CB 1.298 39.366 38.000 0.114 0.000 1.320 6 I HN 0.346 nan 8.210 nan 0.000 0.458 7 R N 6.419 127.050 120.500 0.219 0.000 2.442 7 R HA 0.303 4.643 4.340 0.000 0.000 0.291 7 R C -0.350 175.895 176.300 -0.092 0.000 1.069 7 R CA -0.581 55.478 56.100 -0.069 0.000 1.022 7 R CB 0.662 30.882 30.300 -0.134 0.000 0.976 7 R HN 0.465 nan 8.270 nan 0.000 0.443 8 M N 5.972 125.477 119.600 -0.158 0.000 2.217 8 M HA 0.222 4.702 4.480 0.000 0.000 0.354 8 M C -1.752 174.481 176.300 -0.112 0.000 1.225 8 M CA -2.464 52.783 55.300 -0.089 0.000 1.137 8 M CB 0.279 32.851 32.600 -0.046 0.000 1.576 8 M HN 0.455 nan 8.290 nan 0.000 0.461 9 P HA 0.240 nan 4.420 nan 0.000 0.277 9 P C 0.582 177.838 177.300 -0.072 0.000 1.276 9 P CA 0.064 63.120 63.100 -0.074 0.000 0.788 9 P CB 0.130 31.794 31.700 -0.059 0.000 1.114 10 E N -0.522 119.641 120.200 -0.062 0.000 2.204 10 E HA -0.134 4.217 4.350 0.000 0.000 0.195 10 E C 1.500 178.072 176.600 -0.046 0.000 0.990 10 E CA 1.975 58.342 56.400 -0.054 0.000 0.821 10 E CB -1.775 27.898 29.700 -0.045 0.000 0.750 10 E HN 0.690 nan 8.360 nan 0.000 0.477 11 T N -1.810 112.717 114.554 -0.044 0.000 3.317 11 T HA 0.219 4.569 4.350 0.000 0.000 0.250 11 T C 1.741 176.413 174.700 -0.048 0.000 1.106 11 T CA 0.535 62.612 62.100 -0.039 0.000 0.986 11 T CB 0.083 68.930 68.868 -0.035 0.000 1.010 11 T HN 0.252 nan 8.240 nan 0.000 0.560 12 V N 1.261 121.142 119.914 -0.055 0.000 2.324 12 V HA -0.141 3.979 4.120 0.000 0.000 0.250 12 V C 2.608 178.651 176.094 -0.086 0.000 1.060 12 V CA 2.328 64.588 62.300 -0.068 0.000 1.042 12 V CB -1.053 30.742 31.823 -0.047 0.000 0.650 12 V HN 0.717 nan 8.190 nan 0.000 0.450 13 A N -1.268 121.520 122.820 -0.053 0.000 2.095 13 A HA 0.203 4.523 4.320 0.000 0.000 0.212 13 A C 2.128 179.702 177.584 -0.016 0.000 1.162 13 A CA 1.307 53.322 52.037 -0.036 0.000 0.753 13 A CB -0.485 18.514 19.000 -0.003 0.000 0.840 13 A HN 0.719 nan 8.150 nan 0.000 0.468 14 E N -0.322 119.867 120.200 -0.018 0.000 2.077 14 E HA -0.046 4.304 4.350 0.000 0.000 0.193 14 E C 1.977 178.579 176.600 0.003 0.000 0.989 14 E CA 1.458 57.855 56.400 -0.005 0.000 0.800 14 E CB -1.304 28.390 29.700 -0.010 0.000 0.746 14 E HN 0.670 nan 8.360 nan 0.000 0.452 15 G N -0.214 108.581 108.800 -0.007 0.000 2.985 15 G HA2 0.156 4.117 3.960 0.000 0.000 0.209 15 G HA3 0.156 4.117 3.960 0.000 0.000 0.209 15 G C 1.421 176.336 174.900 0.024 0.000 1.165 15 G CA 1.515 46.618 45.100 0.006 0.000 0.776 15 G HN 0.728 nan 8.290 nan 0.000 0.541 16 T N -3.245 111.328 114.554 0.031 0.000 3.144 16 T HA 0.325 4.675 4.350 0.000 0.000 0.290 16 T C 0.663 175.434 174.700 0.118 0.000 0.966 16 T CA -0.609 61.543 62.100 0.087 0.000 0.907 16 T CB 0.268 69.204 68.868 0.114 0.000 1.152 16 T HN 0.150 nan 8.240 nan 0.000 0.532 17 R N 1.486 122.034 120.500 0.080 0.000 2.489 17 R HA 0.347 4.687 4.340 0.000 0.000 0.287 17 R C -0.337 176.006 176.300 0.071 0.000 1.053 17 R CA -0.656 55.492 56.100 0.080 0.000 1.036 17 R CB 0.127 30.459 30.300 0.054 0.000 0.966 17 R HN 0.268 nan 8.270 nan 0.000 0.432 18 L N 5.330 126.595 121.223 0.069 0.000 2.500 18 L HA 0.093 4.433 4.340 0.000 0.000 0.272 18 L C 0.805 177.692 176.870 0.028 0.000 1.149 18 L CA 0.762 55.627 54.840 0.042 0.000 0.897 18 L CB 0.937 43.008 42.059 0.021 0.000 1.178 18 L HN 0.890 nan 8.230 nan 0.000 0.473 19 A N 6.158 128.994 122.820 0.027 0.000 1.855 19 A HA 0.203 4.524 4.320 0.000 0.000 0.213 19 A C 0.606 178.196 177.584 0.009 0.000 1.195 19 A CA 0.881 52.932 52.037 0.024 0.000 0.610 19 A CB -0.184 18.837 19.000 0.035 0.000 0.837 19 A HN 0.589 nan 8.150 nan 0.000 0.444 20 L N -0.651 120.570 121.223 -0.004 0.000 2.410 20 L HA 0.513 4.853 4.340 0.000 0.000 0.270 20 L C -0.299 176.531 176.870 -0.067 0.000 0.983 20 L CA -1.034 53.794 54.840 -0.019 0.000 0.822 20 L CB 1.964 44.030 42.059 0.012 0.000 1.285 20 L HN 0.188 nan 8.230 nan 0.000 0.409 21 R N 2.330 122.792 120.500 -0.063 0.000 2.438 21 R HA 0.586 4.926 4.340 0.000 0.000 0.287 21 R C -0.163 176.112 176.300 -0.042 0.000 1.077 21 R CA 0.070 56.115 56.100 -0.091 0.000 1.034 21 R CB 1.086 31.358 30.300 -0.046 0.000 0.993 21 R HN 0.712 nan 8.270 nan 0.000 0.459 22 A N 3.875 126.607 122.820 -0.147 0.000 2.406 22 A HA 0.489 4.809 4.320 0.000 0.000 0.243 22 A C -0.636 177.065 177.584 0.195 0.000 1.082 22 A CA 0.034 52.075 52.037 0.007 0.000 0.786 22 A CB -0.112 18.809 19.000 -0.133 0.000 1.029 22 A HN 0.725 nan 8.150 nan 0.000 0.495 23 F N -1.501 118.438 119.950 -0.020 0.000 2.686 23 F HA 0.758 5.285 4.527 0.000 0.000 0.311 23 F C -0.414 175.390 175.800 0.007 0.000 1.128 23 F CA -0.921 57.053 58.000 -0.044 0.000 0.946 23 F CB 0.779 39.766 39.000 -0.021 0.000 1.336 23 F HN 0.399 nan 8.300 nan 0.000 0.457 24 S N 1.330 116.974 115.700 -0.093 0.000 2.704 24 S HA 0.798 5.268 4.470 0.000 0.000 0.305 24 S C -1.413 173.340 174.600 0.256 0.000 1.107 24 S CA -0.814 57.365 58.200 -0.034 0.000 0.993 24 S CB 1.895 65.137 63.200 0.070 0.000 1.110 24 S HN 0.846 nan 8.310 nan 0.000 0.534 25 L N 1.890 123.289 121.223 0.293 0.000 2.365 25 L HA 0.764 5.104 4.340 0.000 0.000 0.273 25 L C -1.707 175.401 176.870 0.397 0.000 1.000 25 L CA -0.579 54.477 54.840 0.360 0.000 0.819 25 L CB 1.406 43.586 42.059 0.203 0.000 1.284 25 L HN 0.441 nan 8.230 nan 0.000 0.418 26 V N 5.102 125.260 119.914 0.406 0.000 2.540 26 V HA 0.726 4.847 4.120 0.000 0.000 0.302 26 V C -0.703 175.539 176.094 0.248 0.000 1.035 26 V CA -0.651 61.873 62.300 0.373 0.000 0.873 26 V CB 1.861 33.913 31.823 0.382 0.000 0.992 26 V HN 0.539 nan 8.190 nan 0.000 0.428 27 V N 3.165 123.152 119.914 0.121 0.000 3.077 27 V HA 0.912 5.032 4.120 0.000 0.000 0.299 27 V C -0.881 175.260 176.094 0.079 0.000 1.276 27 V CA -0.074 62.191 62.300 -0.058 0.000 0.993 27 V CB 2.370 33.738 31.823 -0.759 0.000 1.076 27 V HN 1.261 nan 8.190 nan 0.000 0.434 28 A N 5.146 128.046 122.820 0.134 0.000 2.303 28 A HA 0.916 5.236 4.320 0.000 0.000 0.320 28 A C -0.647 177.116 177.584 0.297 0.000 1.192 28 A CA -0.059 52.109 52.037 0.218 0.000 0.821 28 A CB 1.484 20.703 19.000 0.365 0.000 1.188 28 A HN 1.969 nan 8.150 nan 0.000 0.492 29 V N 0.406 120.396 119.914 0.127 0.000 3.001 29 V HA 0.810 4.930 4.120 0.000 0.000 0.314 29 V C -0.429 175.560 176.094 -0.176 0.000 1.099 29 V CA -0.828 61.553 62.300 0.136 0.000 0.989 29 V CB 1.780 33.684 31.823 0.136 0.000 1.040 29 V HN 0.936 nan 8.190 nan 0.000 0.434 30 D N 0.864 121.200 120.400 -0.107 0.000 2.478 30 D HA 0.242 4.882 4.640 0.000 0.000 0.269 30 D C 0.604 176.861 176.300 -0.072 0.000 1.232 30 D CA -0.328 53.537 54.000 -0.226 0.000 1.059 30 D CB 0.630 41.373 40.800 -0.096 0.000 1.104 30 D HN 0.679 nan 8.370 nan 0.000 0.566 31 E N -1.440 118.729 120.200 -0.052 0.000 2.482 31 E HA 0.004 4.354 4.350 0.000 0.000 0.196 31 E C 1.230 177.859 176.600 0.048 0.000 1.047 31 E CA 0.243 56.642 56.400 -0.001 0.000 0.869 31 E CB 0.087 29.787 29.700 -0.000 0.000 0.836 31 E HN 0.281 nan 8.360 nan 0.000 0.520 32 R N -0.501 120.057 120.500 0.097 0.000 2.427 32 R HA 0.100 4.440 4.340 0.000 0.000 0.262 32 R C 0.847 177.299 176.300 0.254 0.000 0.943 32 R CA 0.401 56.594 56.100 0.156 0.000 1.081 32 R CB 0.741 31.170 30.300 0.216 0.000 1.166 32 R HN 0.200 nan 8.270 nan 0.000 0.534 33 G N 0.283 109.208 108.800 0.208 0.000 2.162 33 G HA2 -0.268 3.692 3.960 0.000 0.000 0.260 33 G HA3 -0.268 3.692 3.960 0.000 0.000 0.260 33 G C 0.404 175.523 174.900 0.365 0.000 0.976 33 G CA -0.010 45.248 45.100 0.264 0.000 0.655 33 G HN 0.508 nan 8.290 nan 0.000 0.533 34 G N -0.243 108.718 108.800 0.269 0.000 2.442 34 G HA2 0.583 4.543 3.960 0.000 0.000 0.249 34 G HA3 0.583 4.543 3.960 0.000 0.000 0.249 34 G C 1.087 176.065 174.900 0.130 0.000 1.263 34 G CA 0.049 45.106 45.100 -0.070 0.000 0.846 34 G HN 1.245 nan 8.290 nan 0.000 0.555 35 I N -0.539 120.021 120.570 -0.018 0.000 4.471 35 I HA 0.599 4.769 4.170 0.000 0.000 0.326 35 I C 0.735 176.729 176.117 -0.204 0.000 1.300 35 I CA 0.037 61.373 61.300 0.060 0.000 1.237 35 I CB 0.772 38.851 38.000 0.133 0.000 1.195 35 I HN 0.711 nan 8.210 nan 0.000 0.427 36 G N 1.600 110.250 108.800 -0.251 0.000 2.356 36 G HA2 0.238 4.199 3.960 0.000 0.000 0.294 36 G HA3 0.238 4.199 3.960 0.000 0.000 0.294 36 G C -1.336 173.426 174.900 -0.230 0.000 1.423 36 G CA 0.217 45.140 45.100 -0.294 0.000 0.806 36 G HN 0.149 nan 8.290 nan 0.000 0.527 37 D N -1.582 118.704 120.400 -0.191 0.000 2.349 37 D HA 0.380 5.020 4.640 0.000 0.000 0.214 37 D C 1.594 177.836 176.300 -0.097 0.000 1.063 37 D CA 0.992 54.913 54.000 -0.131 0.000 0.847 37 D CB 0.438 41.174 40.800 -0.107 0.000 0.933 37 D HN 1.858 nan 8.370 nan 0.000 0.513 38 G N 0.627 109.365 108.800 -0.102 0.000 2.284 38 G HA2 -0.301 3.659 3.960 0.000 0.000 0.216 38 G HA3 -0.301 3.659 3.960 0.000 0.000 0.216 38 G C 1.378 176.235 174.900 -0.071 0.000 1.009 38 G CA 0.105 45.164 45.100 -0.069 0.000 0.625 38 G HN 0.404 nan 8.290 nan 0.000 0.501 39 R N 0.146 120.594 120.500 -0.087 0.000 2.276 39 R HA 0.458 4.798 4.340 0.000 0.000 0.195 39 R C 1.063 177.295 176.300 -0.112 0.000 0.908 39 R CA 1.128 57.178 56.100 -0.084 0.000 1.083 39 R CB 0.635 30.892 30.300 -0.071 0.000 1.182 39 R HN 0.721 nan 8.270 nan 0.000 0.608 40 S N -0.063 115.549 115.700 -0.147 0.000 2.671 40 S HA 0.492 4.963 4.470 0.000 0.000 0.277 40 S C -0.615 173.812 174.600 -0.287 0.000 1.165 40 S CA -0.952 57.132 58.200 -0.193 0.000 0.822 40 S CB 1.376 64.474 63.200 -0.169 0.000 1.150 40 S HN 0.053 nan 8.310 nan 0.000 0.479 41 I N 2.309 122.645 120.570 -0.390 0.000 2.337 41 I HA 0.330 4.500 4.170 0.000 0.000 0.291 41 I C -1.857 173.856 176.117 -0.672 0.000 1.046 41 I CA -2.011 58.876 61.300 -0.688 0.000 1.324 41 I CB 1.364 38.872 38.000 -0.820 0.000 1.409 41 I HN 0.531 nan 8.210 nan 0.000 0.494 42 P HA 0.124 nan 4.420 nan 0.000 0.228 42 P C -1.410 175.848 177.300 -0.070 0.000 1.764 42 P CA -0.013 62.922 63.100 -0.275 0.000 0.929 42 P CB -0.573 31.043 31.700 -0.141 0.000 1.675 43 W N -1.675 119.591 121.300 -0.057 0.000 3.025 43 W HA 0.591 5.251 4.660 0.000 0.000 0.343 43 W C -1.494 174.986 176.519 -0.065 0.000 1.246 43 W CA -1.115 56.196 57.345 -0.057 0.000 1.178 43 W CB 0.066 29.489 29.460 -0.061 0.000 1.463 43 W HN -0.306 nan 8.180 nan 0.000 0.578 44 N N 1.418 120.282 118.700 0.274 0.000 2.716 44 N HA 0.418 5.158 4.740 0.000 0.000 0.253 44 N C -2.156 173.414 175.510 0.101 0.000 1.170 44 N CA -0.405 52.724 53.050 0.130 0.000 0.807 44 N CB 1.334 39.855 38.487 0.057 0.000 1.183 44 N HN 0.424 nan 8.380 nan 0.000 0.524 45 V N 5.492 125.471 119.914 0.108 0.000 2.305 45 V HA 0.355 4.475 4.120 0.000 0.000 0.275 45 V C -1.565 174.490 176.094 -0.064 0.000 1.020 45 V CA -1.378 60.892 62.300 -0.049 0.000 0.811 45 V CB 1.696 33.405 31.823 -0.191 0.000 1.031 45 V HN 0.381 nan 8.190 nan 0.000 0.439 46 P HA -0.095 nan 4.420 nan 0.000 0.218 46 P C 1.211 178.503 177.300 -0.014 0.000 1.149 46 P CA 1.008 64.091 63.100 -0.028 0.000 0.817 46 P CB 0.497 32.186 31.700 -0.018 0.000 0.785 47 E N -0.724 119.434 120.200 -0.070 0.000 2.204 47 E HA -0.169 4.181 4.350 0.000 0.000 0.194 47 E C 1.674 178.367 176.600 0.154 0.000 0.989 47 E CA 1.089 57.500 56.400 0.018 0.000 0.824 47 E CB -0.731 28.948 29.700 -0.036 0.000 0.756 47 E HN 0.353 nan 8.360 nan 0.000 0.477 48 D N -0.487 119.935 120.400 0.036 0.000 2.123 48 D HA -0.132 4.508 4.640 0.000 0.000 0.200 48 D C 1.680 178.143 176.300 0.272 0.000 0.976 48 D CA 0.969 55.114 54.000 0.242 0.000 0.831 48 D CB 0.149 41.017 40.800 0.112 0.000 0.974 48 D HN -0.052 nan 8.370 nan 0.000 0.469 49 M N 0.636 120.321 119.600 0.141 0.000 2.108 49 M HA -0.126 4.354 4.480 0.000 0.000 0.261 49 M C 2.209 178.600 176.300 0.153 0.000 1.066 49 M CA 1.380 56.755 55.300 0.126 0.000 1.107 49 M CB -1.131 31.483 32.600 0.023 0.000 1.356 49 M HN 0.133 nan 8.290 nan 0.000 0.406 50 K N -0.175 120.292 120.400 0.112 0.000 2.002 50 K HA -0.201 4.119 4.320 0.000 0.000 0.209 50 K C 2.058 178.693 176.600 0.058 0.000 1.048 50 K CA 1.461 57.788 56.287 0.068 0.000 0.930 50 K CB -0.418 32.124 32.500 0.070 0.000 0.714 50 K HN 0.141 nan 8.250 nan 0.000 0.438 51 F N 1.004 120.947 119.950 -0.011 0.000 2.126 51 F HA -0.216 4.311 4.527 0.000 0.000 0.299 51 F C 1.903 177.630 175.800 -0.120 0.000 1.096 51 F CA 1.650 59.567 58.000 -0.138 0.000 1.255 51 F CB -0.524 38.300 39.000 -0.294 0.000 0.997 51 F HN 0.156 nan 8.300 nan 0.000 0.479 52 F N 1.231 121.125 119.950 -0.093 0.000 2.095 52 F HA -0.181 4.346 4.527 0.000 0.000 0.298 52 F C 2.679 178.284 175.800 -0.325 0.000 1.104 52 F CA 2.226 60.104 58.000 -0.203 0.000 1.232 52 F CB -0.765 38.221 39.000 -0.023 0.000 0.987 52 F HN -0.091 nan 8.300 nan 0.000 0.475 53 R N 0.296 120.615 120.500 -0.302 0.000 2.080 53 R HA -0.185 4.156 4.340 0.000 0.000 0.236 53 R C 1.995 178.018 176.300 -0.462 0.000 1.137 53 R CA 2.193 58.062 56.100 -0.384 0.000 0.943 53 R CB -0.625 29.585 30.300 -0.150 0.000 0.846 53 R HN 0.286 nan 8.270 nan 0.000 0.431 54 D N -0.188 119.963 120.400 -0.414 0.000 2.097 54 D HA -0.159 4.481 4.640 0.000 0.000 0.195 54 D C 1.793 177.751 176.300 -0.569 0.000 0.989 54 D CA 1.099 54.851 54.000 -0.413 0.000 0.827 54 D CB -0.421 40.177 40.800 -0.336 0.000 0.966 54 D HN 0.095 nan 8.370 nan 0.000 0.456 55 V N 0.943 120.332 119.914 -0.876 0.000 2.515 55 V HA -0.175 3.945 4.120 0.000 0.000 0.250 55 V C 2.298 177.766 176.094 -1.042 0.000 1.058 55 V CA 2.426 64.124 62.300 -1.003 0.000 1.064 55 V CB -0.509 30.432 31.823 -1.471 0.000 0.675 55 V HN 0.399 nan 8.190 nan 0.000 0.461 56 T N -4.646 109.261 114.554 -1.078 0.000 3.054 56 T HA -0.064 4.286 4.350 0.000 0.000 0.259 56 T C 1.656 176.065 174.700 -0.484 0.000 1.092 56 T CA 1.369 62.843 62.100 -1.044 0.000 1.121 56 T CB -0.146 68.099 68.868 -1.039 0.000 0.912 56 T HN 0.453 nan 8.240 nan 0.000 0.489 57 T N 1.199 115.508 114.554 -0.409 0.000 2.953 57 T HA 0.185 4.535 4.350 0.000 0.000 0.247 57 T C 0.780 175.388 174.700 -0.153 0.000 1.029 57 T CA 0.300 62.263 62.100 -0.228 0.000 1.144 57 T CB -0.018 68.726 68.868 -0.207 0.000 0.870 57 T HN 0.368 nan 8.240 nan 0.000 0.446 58 K N 1.552 121.841 120.400 -0.186 0.000 2.382 58 K HA 0.321 4.641 4.320 0.000 0.000 0.275 58 K C -0.505 176.055 176.600 -0.066 0.000 1.009 58 K CA -0.019 56.194 56.287 -0.122 0.000 0.970 58 K CB 0.471 32.883 32.500 -0.146 0.000 0.934 58 K HN 0.193 nan 8.250 nan 0.000 0.479 59 L N 2.171 123.372 121.223 -0.037 0.000 2.387 59 L HA 0.345 4.685 4.340 0.000 0.000 0.266 59 L C 1.694 178.558 176.870 -0.009 0.000 1.059 59 L CA -0.607 54.228 54.840 -0.008 0.000 0.801 59 L CB 0.890 42.949 42.059 0.001 0.000 1.223 59 L HN 0.582 nan 8.230 nan 0.000 0.456 60 R N 0.517 121.018 120.500 0.003 0.000 2.096 60 R HA -0.031 4.309 4.340 0.000 0.000 0.235 60 R C 1.021 177.319 176.300 -0.004 0.000 1.127 60 R CA 1.037 57.135 56.100 -0.002 0.000 0.968 60 R CB -0.234 30.067 30.300 0.001 0.000 0.861 60 R HN 0.873 nan 8.270 nan 0.000 0.440 61 G N 0.130 108.932 108.800 0.003 0.000 2.583 61 G HA2 0.031 3.991 3.960 0.000 0.000 0.275 61 G HA3 0.031 3.991 3.960 0.000 0.000 0.275 61 G C -0.856 174.044 174.900 -0.001 0.000 1.342 61 G CA -0.468 44.636 45.100 0.005 0.000 1.030 61 G HN 0.164 nan 8.290 nan 0.000 0.520 62 K N 0.964 121.365 120.400 0.002 0.000 2.227 62 K HA 0.164 4.484 4.320 0.000 0.000 0.280 62 K C -0.057 176.542 176.600 -0.002 0.000 1.041 62 K CA -0.462 55.824 56.287 -0.001 0.000 0.905 62 K CB 0.731 33.232 32.500 0.002 0.000 1.068 62 K HN 0.493 nan 8.250 nan 0.000 0.470 63 N N 0.386 119.082 118.700 -0.008 0.000 2.708 63 N HA -0.169 4.572 4.740 0.000 0.000 0.249 63 N C -0.751 174.756 175.510 -0.006 0.000 1.097 63 N CA 0.591 53.636 53.050 -0.008 0.000 0.710 63 N CB -1.125 37.358 38.487 -0.005 0.000 1.032 63 N HN 0.207 nan 8.380 nan 0.000 0.551 64 V N 0.863 120.774 119.914 -0.006 0.000 2.455 64 V HA 0.092 4.213 4.120 0.000 0.000 0.273 64 V C 0.996 177.086 176.094 -0.007 0.000 1.045 64 V CA -0.167 62.131 62.300 -0.002 0.000 0.976 64 V CB 1.170 32.995 31.823 0.003 0.000 0.993 64 V HN 0.020 nan 8.190 nan 0.000 0.475 65 K N 5.840 126.237 120.400 -0.005 0.000 2.297 65 K HA 0.344 4.664 4.320 0.000 0.000 0.286 65 K C -2.413 174.184 176.600 -0.004 0.000 1.053 65 K CA -1.515 54.768 56.287 -0.008 0.000 0.940 65 K CB 0.680 33.177 32.500 -0.005 0.000 1.019 65 K HN 0.427 nan 8.250 nan 0.000 0.475 66 P HA -0.075 nan 4.420 nan 0.000 0.261 66 P C -0.810 176.494 177.300 0.006 0.000 1.183 66 P CA 0.260 63.358 63.100 -0.002 0.000 0.761 66 P CB 0.626 32.319 31.700 -0.011 0.000 0.785 67 S N 2.907 118.615 115.700 0.013 0.000 2.651 67 S HA 0.581 5.051 4.470 0.000 0.000 0.279 67 S C -2.352 172.262 174.600 0.022 0.000 1.148 67 S CA -1.639 56.570 58.200 0.016 0.000 0.837 67 S CB 1.613 64.821 63.200 0.013 0.000 1.138 67 S HN 0.030 nan 8.310 nan 0.000 0.478 68 P HA 0.037 nan 4.420 nan 0.000 0.219 68 P C 1.247 178.561 177.300 0.022 0.000 1.146 68 P CA 1.686 64.801 63.100 0.026 0.000 0.808 68 P CB -0.137 31.574 31.700 0.018 0.000 0.779 69 A N -1.780 121.051 122.820 0.018 0.000 2.072 69 A HA 0.039 4.359 4.320 0.000 0.000 0.216 69 A C 1.141 178.738 177.584 0.023 0.000 1.156 69 A CA 0.917 52.963 52.037 0.015 0.000 0.701 69 A CB -0.409 18.599 19.000 0.013 0.000 0.816 69 A HN 0.097 nan 8.150 nan 0.000 0.458 70 K N -0.059 120.357 120.400 0.027 0.000 2.695 70 K HA 0.397 4.717 4.320 0.000 0.000 0.255 70 K C -0.761 175.857 176.600 0.030 0.000 1.016 70 K CA -0.384 55.921 56.287 0.030 0.000 0.928 70 K CB 0.722 33.237 32.500 0.026 0.000 1.235 70 K HN 0.555 nan 8.250 nan 0.000 0.467 71 R N 1.233 121.756 120.500 0.039 0.000 2.747 71 R HA 0.528 4.868 4.340 0.000 0.000 0.272 71 R C -1.040 175.290 176.300 0.049 0.000 1.032 71 R CA -1.152 54.970 56.100 0.037 0.000 0.896 71 R CB 0.608 30.931 30.300 0.037 0.000 1.253 71 R HN 0.264 nan 8.270 nan 0.000 0.461 72 N N -0.463 118.268 118.700 0.052 0.000 2.476 72 N HA 0.553 5.293 4.740 0.000 0.000 0.275 72 N C -1.013 174.542 175.510 0.075 0.000 1.190 72 N CA -0.302 52.798 53.050 0.084 0.000 0.977 72 N CB 1.789 40.367 38.487 0.152 0.000 1.200 72 N HN 0.688 nan 8.380 nan 0.000 0.515 73 A N 0.134 123.003 122.820 0.082 0.000 2.350 73 A HA 0.624 4.944 4.320 0.000 0.000 0.324 73 A C -0.388 177.257 177.584 0.103 0.000 1.118 73 A CA -0.710 51.359 52.037 0.052 0.000 0.783 73 A CB 0.771 19.764 19.000 -0.012 0.000 1.236 73 A HN 0.428 nan 8.150 nan 0.000 0.457 74 V N 0.435 120.395 119.914 0.077 0.000 2.448 74 V HA 0.781 4.901 4.120 0.000 0.000 0.295 74 V C -0.551 175.581 176.094 0.064 0.000 1.025 74 V CA -0.690 61.676 62.300 0.111 0.000 0.859 74 V CB 1.023 32.908 31.823 0.102 0.000 0.988 74 V HN 0.585 nan 8.190 nan 0.000 0.431 75 V N 7.164 127.114 119.914 0.060 0.000 2.384 75 V HA 0.664 4.784 4.120 0.000 0.000 0.287 75 V C 0.132 176.222 176.094 -0.007 0.000 1.020 75 V CA -0.306 61.985 62.300 -0.014 0.000 0.850 75 V CB 1.310 33.086 31.823 -0.078 0.000 0.987 75 V HN 1.106 nan 8.190 nan 0.000 0.436 76 M N 3.444 123.032 119.600 -0.021 0.000 2.550 76 M HA 0.869 5.349 4.480 0.000 0.000 0.292 76 M C 0.070 176.341 176.300 -0.048 0.000 1.221 76 M CA -0.518 54.769 55.300 -0.021 0.000 0.873 76 M CB 2.212 34.852 32.600 0.067 0.000 1.727 76 M HN 0.582 nan 8.290 nan 0.000 0.459 77 G N 1.161 109.919 108.800 -0.069 0.000 2.569 77 G HA2 0.231 4.191 3.960 0.000 0.000 0.249 77 G HA3 0.231 4.191 3.960 0.000 0.000 0.249 77 G C 0.359 175.261 174.900 0.003 0.000 1.216 77 G CA -0.572 44.494 45.100 -0.056 0.000 0.845 77 G HN 1.005 nan 8.290 nan 0.000 0.568 78 R N 0.570 121.070 120.500 0.001 0.000 2.091 78 R HA -0.101 4.239 4.340 0.000 0.000 0.238 78 R C 2.215 178.582 176.300 0.111 0.000 1.136 78 R CA 1.661 57.795 56.100 0.056 0.000 0.959 78 R CB -0.237 30.072 30.300 0.015 0.000 0.856 78 R HN 0.605 nan 8.270 nan 0.000 0.437 79 K N -0.768 119.657 120.400 0.042 0.000 2.147 79 K HA -0.077 4.243 4.320 0.000 0.000 0.205 79 K C 1.966 178.574 176.600 0.013 0.000 1.049 79 K CA 1.895 58.194 56.287 0.021 0.000 0.936 79 K CB -0.016 32.476 32.500 -0.013 0.000 0.722 79 K HN 0.220 nan 8.250 nan 0.000 0.446 80 T N 0.476 115.039 114.554 0.015 0.000 2.857 80 T HA -0.157 4.193 4.350 0.000 0.000 0.266 80 T C 1.177 175.916 174.700 0.064 0.000 1.048 80 T CA 0.758 62.857 62.100 -0.002 0.000 1.139 80 T CB -0.183 68.666 68.868 -0.032 0.000 0.874 80 T HN 0.466 nan 8.240 nan 0.000 0.455 81 W N 2.474 123.742 121.300 -0.053 0.000 2.358 81 W HA -0.156 4.504 4.660 0.000 0.000 0.303 81 W C 1.190 177.691 176.519 -0.030 0.000 1.208 81 W CA 1.221 58.547 57.345 -0.032 0.000 1.274 81 W CB -0.270 29.172 29.460 -0.029 0.000 1.138 81 W HN 0.225 nan 8.180 nan 0.000 0.515 82 D N 0.198 120.625 120.400 0.044 0.000 2.144 82 D HA -0.181 4.459 4.640 0.000 0.000 0.199 82 D C 2.445 178.667 176.300 -0.129 0.000 0.984 82 D CA 2.251 56.212 54.000 -0.065 0.000 0.834 82 D CB -0.578 40.233 40.800 0.019 0.000 0.955 82 D HN 0.227 nan 8.370 nan 0.000 0.465 83 S N -0.150 115.489 115.700 -0.102 0.000 2.481 83 S HA -0.052 4.418 4.470 0.000 0.000 0.231 83 S C 1.037 175.559 174.600 -0.131 0.000 0.996 83 S CA -0.000 58.132 58.200 -0.112 0.000 0.942 83 S CB -0.361 62.774 63.200 -0.108 0.000 0.768 83 S HN 0.142 nan 8.310 nan 0.000 0.520 84 I N 3.043 123.507 120.570 -0.177 0.000 2.352 84 I HA 0.311 4.481 4.170 0.000 0.000 0.290 84 I C -2.483 173.509 176.117 -0.208 0.000 1.036 84 I CA -2.654 58.546 61.300 -0.166 0.000 1.336 84 I CB 0.752 38.625 38.000 -0.211 0.000 1.407 84 I HN -0.056 nan 8.210 nan 0.000 0.497 85 P HA 0.004 nan 4.420 nan 0.000 0.262 85 P C -1.992 175.122 177.300 -0.311 0.000 1.182 85 P CA -0.749 62.220 63.100 -0.219 0.000 0.761 85 P CB 0.073 31.614 31.700 -0.264 0.000 0.795 86 P HA -0.220 nan 4.420 nan 0.000 0.217 86 P C 1.441 178.579 177.300 -0.269 0.000 1.148 86 P CA 1.632 64.563 63.100 -0.282 0.000 0.834 86 P CB 0.008 31.585 31.700 -0.203 0.000 0.783 87 K N -1.124 119.048 120.400 -0.380 0.000 2.097 87 K HA -0.128 4.192 4.320 0.000 0.000 0.206 87 K C 1.245 177.681 176.600 -0.274 0.000 1.049 87 K CA 1.364 57.407 56.287 -0.406 0.000 0.933 87 K CB -0.304 31.804 32.500 -0.654 0.000 0.717 87 K HN 0.056 nan 8.250 nan 0.000 0.442 88 F N 1.033 120.919 119.950 -0.107 0.000 2.776 88 F HA 0.134 4.661 4.527 0.000 0.000 0.300 88 F C 0.377 176.110 175.800 -0.112 0.000 1.116 88 F CA -0.118 57.827 58.000 -0.092 0.000 1.375 88 F CB 0.007 38.956 39.000 -0.085 0.000 1.109 88 F HN -0.064 nan 8.300 nan 0.000 0.585 89 R N 0.943 121.410 120.500 -0.055 0.000 2.604 89 R HA 0.548 4.888 4.340 0.000 0.000 0.287 89 R C -2.774 173.523 176.300 -0.004 0.000 0.970 89 R CA -1.959 54.054 56.100 -0.146 0.000 0.946 89 R CB -0.197 29.697 30.300 -0.678 0.000 1.127 89 R HN -0.184 nan 8.270 nan 0.000 0.473 90 P HA 0.064 nan 4.420 nan 0.000 0.274 90 P C -0.475 176.912 177.300 0.145 0.000 1.237 90 P CA -0.492 62.758 63.100 0.249 0.000 0.793 90 P CB 0.689 32.565 31.700 0.293 0.000 0.977 91 L N 3.125 124.442 121.223 0.156 0.000 2.530 91 L HA 0.148 4.488 4.340 0.000 0.000 0.273 91 L C -1.611 175.297 176.870 0.064 0.000 1.141 91 L CA -1.675 53.224 54.840 0.099 0.000 0.905 91 L CB -0.489 41.633 42.059 0.106 0.000 1.202 91 L HN 0.254 nan 8.230 nan 0.000 0.473 92 P HA 0.010 nan 4.420 nan 0.000 0.268 92 P C 0.875 178.175 177.300 -0.000 0.000 1.208 92 P CA 0.445 63.562 63.100 0.027 0.000 0.777 92 P CB 0.917 32.629 31.700 0.020 0.000 0.875 93 G N 1.413 110.216 108.800 0.005 0.000 2.184 93 G HA2 -0.260 3.700 3.960 0.000 0.000 0.264 93 G HA3 -0.260 3.700 3.960 0.000 0.000 0.264 93 G C 0.127 175.022 174.900 -0.008 0.000 0.975 93 G CA 0.091 45.185 45.100 -0.009 0.000 0.642 93 G HN 0.665 nan 8.290 nan 0.000 0.536 94 R N -1.239 119.265 120.500 0.006 0.000 2.725 94 R HA 0.643 4.983 4.340 0.000 0.000 0.277 94 R C -0.587 175.736 176.300 0.039 0.000 0.987 94 R CA -1.086 55.023 56.100 0.014 0.000 0.901 94 R CB 1.609 31.902 30.300 -0.012 0.000 1.207 94 R HN 0.217 nan 8.270 nan 0.000 0.463 95 L N 2.174 123.422 121.223 0.042 0.000 2.418 95 L HA 0.182 4.522 4.340 0.000 0.000 0.274 95 L C -0.588 176.297 176.870 0.024 0.000 1.135 95 L CA 0.493 55.356 54.840 0.038 0.000 0.870 95 L CB 0.254 42.334 42.059 0.036 0.000 1.154 95 L HN 0.497 nan 8.230 nan 0.000 0.462 96 N N 4.910 123.630 118.700 0.032 0.000 2.437 96 N HA 0.209 4.949 4.740 0.000 0.000 0.243 96 N C -1.191 174.277 175.510 -0.071 0.000 1.041 96 N CA -0.447 52.625 53.050 0.036 0.000 0.940 96 N CB 1.322 39.893 38.487 0.140 0.000 1.133 96 N HN 0.378 nan 8.380 nan 0.000 0.506 97 V N 3.387 123.251 119.914 -0.083 0.000 2.350 97 V HA 0.259 4.380 4.120 0.000 0.000 0.276 97 V C 0.288 176.290 176.094 -0.154 0.000 1.028 97 V CA -0.654 61.556 62.300 -0.149 0.000 0.860 97 V CB 1.415 33.140 31.823 -0.162 0.000 0.990 97 V HN 0.258 nan 8.190 nan 0.000 0.453 98 V N 6.564 126.338 119.914 -0.235 0.000 2.384 98 V HA 0.440 4.561 4.120 0.000 0.000 0.287 98 V C -0.051 175.924 176.094 -0.199 0.000 1.020 98 V CA -0.606 61.541 62.300 -0.254 0.000 0.850 98 V CB 1.671 33.181 31.823 -0.523 0.000 0.987 98 V HN 0.651 nan 8.190 nan 0.000 0.436 99 L N 4.014 125.153 121.223 -0.141 0.000 2.290 99 L HA 0.669 5.009 4.340 0.000 0.000 0.284 99 L C 0.304 177.114 176.870 -0.101 0.000 1.078 99 L CA 0.392 55.163 54.840 -0.115 0.000 0.815 99 L CB 1.236 43.238 42.059 -0.096 0.000 1.162 99 L HN 0.721 nan 8.230 nan 0.000 0.435 100 S N 0.113 115.756 115.700 -0.095 0.000 2.563 100 S HA 0.187 4.657 4.470 0.000 0.000 0.279 100 S C 0.441 175.004 174.600 -0.061 0.000 1.155 100 S CA -0.211 57.943 58.200 -0.075 0.000 0.928 100 S CB 1.667 64.812 63.200 -0.092 0.000 1.107 100 S HN 0.710 nan 8.310 nan 0.000 0.462 101 S N 2.239 117.913 115.700 -0.043 0.000 2.470 101 S HA -0.020 4.450 4.470 0.000 0.000 0.225 101 S C 1.434 176.015 174.600 -0.032 0.000 1.006 101 S CA 1.388 59.567 58.200 -0.034 0.000 0.934 101 S CB -0.456 62.729 63.200 -0.025 0.000 0.778 101 S HN 0.924 nan 8.310 nan 0.000 0.517 102 T N -1.222 113.313 114.554 -0.032 0.000 3.026 102 T HA 0.397 4.747 4.350 0.000 0.000 0.245 102 T C 0.443 175.123 174.700 -0.034 0.000 1.004 102 T CA -0.394 61.690 62.100 -0.026 0.000 1.069 102 T CB -0.261 68.597 68.868 -0.016 0.000 1.005 102 T HN 0.152 nan 8.240 nan 0.000 0.472 103 L N 4.477 125.672 121.223 -0.047 0.000 2.319 103 L HA 0.420 4.760 4.340 0.000 0.000 0.280 103 L C 0.877 177.697 176.870 -0.083 0.000 1.099 103 L CA 0.233 55.036 54.840 -0.061 0.000 0.828 103 L CB 0.467 42.479 42.059 -0.078 0.000 1.150 103 L HN 0.555 nan 8.230 nan 0.000 0.442 104 T N -0.842 113.672 114.554 -0.068 0.000 2.902 104 T HA 0.275 4.625 4.350 0.000 0.000 0.280 104 T C 1.380 176.027 174.700 -0.088 0.000 0.992 104 T CA -0.467 61.592 62.100 -0.069 0.000 1.015 104 T CB 1.038 69.880 68.868 -0.043 0.000 1.044 104 T HN 0.582 nan 8.240 nan 0.000 0.520 105 T N 0.708 115.212 114.554 -0.084 0.000 2.699 105 T HA -0.177 4.173 4.350 0.000 0.000 0.268 105 T C 1.952 176.615 174.700 -0.061 0.000 1.036 105 T CA 1.880 63.927 62.100 -0.089 0.000 1.147 105 T CB -0.421 68.410 68.868 -0.060 0.000 0.862 105 T HN 0.697 nan 8.240 nan 0.000 0.446 106 Q N 0.287 120.065 119.800 -0.037 0.000 2.119 106 Q HA -0.093 4.247 4.340 0.000 0.000 0.201 106 Q C 2.343 178.337 176.000 -0.010 0.000 0.972 106 Q CA 2.148 57.941 55.803 -0.018 0.000 0.847 106 Q CB -0.680 28.051 28.738 -0.011 0.000 0.903 106 Q HN 0.902 nan 8.270 nan 0.000 0.433 107 H N -0.427 118.632 119.070 -0.018 0.000 2.524 107 H HA 0.125 4.681 4.556 0.000 0.000 0.282 107 H C 1.883 177.219 175.328 0.013 0.000 1.016 107 H CA 1.193 57.239 56.048 -0.003 0.000 1.270 107 H CB -0.393 29.363 29.762 -0.010 0.000 1.394 107 H HN 0.308 nan 8.280 nan 0.000 0.568 108 L N -0.391 120.823 121.223 -0.016 0.000 2.109 108 L HA -0.019 4.321 4.340 0.000 0.000 0.207 108 L C 2.416 179.357 176.870 0.119 0.000 1.086 108 L CA 0.716 55.566 54.840 0.015 0.000 0.760 108 L CB -0.192 41.745 42.059 -0.203 0.000 0.910 108 L HN 0.397 nan 8.230 nan 0.000 0.437 109 L N -0.204 121.057 121.223 0.064 0.000 2.549 109 L HA -0.169 4.171 4.340 0.000 0.000 0.230 109 L C 0.856 177.771 176.870 0.074 0.000 1.162 109 L CA 0.564 55.452 54.840 0.080 0.000 0.834 109 L CB -0.350 41.736 42.059 0.044 0.000 0.947 109 L HN 0.266 nan 8.230 nan 0.000 0.452 110 D N -0.303 120.138 120.400 0.069 0.000 2.368 110 D HA 0.138 4.778 4.640 0.000 0.000 0.218 110 D C 1.030 177.366 176.300 0.059 0.000 1.112 110 D CA 0.185 54.216 54.000 0.051 0.000 0.834 110 D CB 0.304 41.124 40.800 0.034 0.000 0.953 110 D HN 0.188 nan 8.370 nan 0.000 0.505 123 D N 1.212 121.633 120.400 0.036 0.000 2.499 123 D HA 0.605 5.245 4.640 0.000 0.000 0.225 123 D C -0.011 176.324 176.300 0.059 0.000 1.124 123 D CA 0.456 54.482 54.000 0.043 0.000 0.938 123 D CB 0.378 41.202 40.800 0.040 0.000 1.014 123 D HN 0.339 nan 8.370 nan 0.000 0.517 124 S N 1.743 117.476 115.700 0.055 0.000 2.846 124 S HA 0.332 4.802 4.470 0.000 0.000 0.249 124 S C 0.539 175.167 174.600 0.047 0.000 1.028 124 S CA -0.349 57.887 58.200 0.060 0.000 1.043 124 S CB 0.479 63.718 63.200 0.065 0.000 0.990 124 S HN 0.365 nan 8.310 nan 0.000 0.564 125 I N 1.444 122.026 120.570 0.020 0.000 2.569 125 I HA 0.562 4.732 4.170 0.000 0.000 0.290 125 I C -1.208 174.865 176.117 -0.073 0.000 1.088 125 I CA -1.028 60.243 61.300 -0.049 0.000 1.047 125 I CB 2.366 40.321 38.000 -0.074 0.000 1.237 125 I HN -0.159 nan 8.210 nan 0.000 0.421 126 V N 3.777 123.614 119.914 -0.128 0.000 2.686 126 V HA 0.711 4.831 4.120 0.000 0.000 0.306 126 V C -0.056 175.925 176.094 -0.188 0.000 1.065 126 V CA -0.721 61.505 62.300 -0.122 0.000 0.894 126 V CB 1.785 33.550 31.823 -0.097 0.000 1.004 126 V HN 0.827 nan 8.190 nan 0.000 0.424 127 A N 3.817 126.533 122.820 -0.172 0.000 2.301 127 A HA 0.826 5.146 4.320 0.000 0.000 0.298 127 A C -0.534 176.971 177.584 -0.132 0.000 1.185 127 A CA -0.475 51.452 52.037 -0.184 0.000 0.830 127 A CB 1.100 19.993 19.000 -0.178 0.000 1.112 127 A HN 0.796 nan 8.150 nan 0.000 0.508 128 V N 3.149 122.983 119.914 -0.133 0.000 2.417 128 V HA 0.207 4.327 4.120 0.000 0.000 0.291 128 V C 0.112 176.154 176.094 -0.088 0.000 1.024 128 V CA -0.816 61.422 62.300 -0.104 0.000 0.861 128 V CB 1.541 33.295 31.823 -0.114 0.000 0.985 128 V HN 0.904 nan 8.190 nan 0.000 0.436 129 N N 4.099 122.759 118.700 -0.067 0.000 2.739 129 N HA 0.521 5.261 4.740 0.000 0.000 0.266 129 N C 0.117 175.598 175.510 -0.048 0.000 1.168 129 N CA 1.174 54.192 53.050 -0.054 0.000 1.055 129 N CB 0.224 38.687 38.487 -0.041 0.000 1.393 129 N HN 1.049 nan 8.380 nan 0.000 0.514 130 G N -0.265 108.504 108.800 -0.053 0.000 2.356 130 G HA2 0.338 4.298 3.960 0.000 0.000 0.288 130 G HA3 0.338 4.298 3.960 0.000 0.000 0.288 130 G C -0.320 174.546 174.900 -0.057 0.000 1.302 130 G CA -0.400 44.672 45.100 -0.047 0.000 0.887 130 G HN 0.566 nan 8.290 nan 0.000 0.521 131 G N -1.447 107.321 108.800 -0.053 0.000 2.531 131 G HA2 0.594 4.554 3.960 0.000 0.000 0.281 131 G HA3 0.594 4.554 3.960 0.000 0.000 0.281 131 G C 1.212 176.059 174.900 -0.089 0.000 1.382 131 G CA 0.277 45.340 45.100 -0.062 0.000 1.045 131 G HN 1.333 nan 8.290 nan 0.000 0.533 132 L N -0.412 120.748 121.223 -0.106 0.000 2.079 132 L HA -0.067 4.273 4.340 0.000 0.000 0.210 132 L C 2.544 179.313 176.870 -0.169 0.000 1.081 132 L CA 2.570 57.308 54.840 -0.169 0.000 0.752 132 L CB -0.514 41.418 42.059 -0.211 0.000 0.896 132 L HN 0.823 nan 8.230 nan 0.000 0.433 133 E N -1.149 118.987 120.200 -0.107 0.000 2.058 133 E HA -0.302 4.048 4.350 0.000 0.000 0.194 133 E C 2.104 178.661 176.600 -0.071 0.000 0.997 133 E CA 1.403 57.759 56.400 -0.075 0.000 0.801 133 E CB 0.005 29.688 29.700 -0.028 0.000 0.746 133 E HN 0.559 nan 8.360 nan 0.000 0.450 134 Q N 0.199 119.959 119.800 -0.067 0.000 2.084 134 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 134 Q C 1.940 177.890 176.000 -0.084 0.000 0.978 134 Q CA 1.770 57.536 55.803 -0.062 0.000 0.844 134 Q CB -0.443 28.262 28.738 -0.055 0.000 0.898 134 Q HN 0.384 nan 8.270 nan 0.000 0.426 135 A N 0.140 122.890 122.820 -0.116 0.000 1.902 135 A HA -0.146 4.174 4.320 0.000 0.000 0.217 135 A C 2.017 179.510 177.584 -0.153 0.000 1.181 135 A CA 1.247 53.195 52.037 -0.148 0.000 0.623 135 A CB -0.693 18.205 19.000 -0.171 0.000 0.818 135 A HN 0.360 nan 8.150 nan 0.000 0.443 136 L N -1.122 120.010 121.223 -0.152 0.000 2.156 136 L HA -0.183 4.157 4.340 0.000 0.000 0.208 136 L C 2.842 179.668 176.870 -0.073 0.000 1.095 136 L CA 1.390 56.153 54.840 -0.129 0.000 0.770 136 L CB -0.523 41.448 42.059 -0.147 0.000 0.914 136 L HN 0.556 nan 8.230 nan 0.000 0.439 137 Q N 0.277 120.042 119.800 -0.058 0.000 2.050 137 Q HA -0.257 4.083 4.340 0.000 0.000 0.202 137 Q C 2.318 178.312 176.000 -0.011 0.000 0.980 137 Q CA 1.689 57.476 55.803 -0.026 0.000 0.840 137 Q CB -0.073 28.653 28.738 -0.020 0.000 0.898 137 Q HN 0.373 nan 8.270 nan 0.000 0.424 138 L N 0.440 121.645 121.223 -0.030 0.000 2.046 138 L HA -0.157 4.183 4.340 0.000 0.000 0.208 138 L C 1.948 178.839 176.870 0.035 0.000 1.077 138 L CA 1.546 56.386 54.840 -0.001 0.000 0.747 138 L CB -0.255 41.765 42.059 -0.065 0.000 0.896 138 L HN 0.242 nan 8.230 nan 0.000 0.432 139 L N -0.619 120.563 121.223 -0.070 0.000 2.376 139 L HA -0.044 4.296 4.340 0.000 0.000 0.219 139 L C 2.451 179.359 176.870 0.064 0.000 1.133 139 L CA 0.685 55.497 54.840 -0.047 0.000 0.816 139 L CB -0.719 41.262 42.059 -0.129 0.000 0.933 139 L HN 0.354 nan 8.230 nan 0.000 0.449 140 A N -0.366 122.476 122.820 0.037 0.000 2.119 140 A HA -0.014 4.306 4.320 0.000 0.000 0.216 140 A C 1.492 179.115 177.584 0.064 0.000 1.152 140 A CA 0.593 52.650 52.037 0.034 0.000 0.708 140 A CB -0.367 18.637 19.000 0.007 0.000 0.805 140 A HN 0.433 nan 8.150 nan 0.000 0.460 141 S N -0.071 115.689 115.700 0.101 0.000 2.584 141 S HA 0.242 4.712 4.470 0.000 0.000 0.270 141 S C -1.290 173.350 174.600 0.066 0.000 1.346 141 S CA -0.568 57.684 58.200 0.087 0.000 1.018 141 S CB 0.545 63.805 63.200 0.100 0.000 0.899 141 S HN 0.196 nan 8.310 nan 0.000 0.542 142 P HA -0.160 nan 4.420 nan 0.000 0.221 142 P C 1.096 178.365 177.300 -0.053 0.000 1.145 142 P CA 1.033 64.135 63.100 0.003 0.000 0.795 142 P CB -0.155 31.547 31.700 0.003 0.000 0.775 143 N N -1.013 117.610 118.700 -0.129 0.000 2.309 143 N HA -0.147 4.593 4.740 0.000 0.000 0.182 143 N C 0.937 176.170 175.510 -0.461 0.000 1.018 143 N CA 1.138 53.981 53.050 -0.344 0.000 0.876 143 N CB -0.031 38.141 38.487 -0.525 0.000 0.972 143 N HN 0.222 nan 8.380 nan 0.000 0.434 144 Y N -1.036 119.263 120.300 -0.002 0.000 2.426 144 Y HA 0.308 4.859 4.550 0.000 0.000 0.249 144 Y C 0.185 176.083 175.900 -0.003 0.000 1.103 144 Y CA -0.099 57.999 58.100 -0.004 0.000 1.256 144 Y CB 0.661 39.115 38.460 -0.010 0.000 1.208 144 Y HN -0.217 nan 8.280 nan 0.000 0.519 145 T N 3.892 118.514 114.554 0.114 0.000 2.786 145 T HA 0.261 4.611 4.350 0.000 0.000 0.283 145 T C -2.278 172.443 174.700 0.036 0.000 0.992 145 T CA -1.284 60.855 62.100 0.066 0.000 0.954 145 T CB 1.949 70.849 68.868 0.053 0.000 0.934 145 T HN -0.063 nan 8.240 nan 0.000 0.440 146 P HA 0.138 nan 4.420 nan 0.000 0.274 146 P C 1.315 178.640 177.300 0.041 0.000 1.352 146 P CA -0.142 62.978 63.100 0.033 0.000 0.947 146 P CB 0.151 31.864 31.700 0.022 0.000 1.437 147 S N -0.387 115.338 115.700 0.042 0.000 2.440 147 S HA -0.060 4.410 4.470 0.000 0.000 0.238 147 S C 1.097 175.736 174.600 0.065 0.000 1.010 147 S CA 0.540 58.767 58.200 0.044 0.000 0.972 147 S CB -0.846 62.370 63.200 0.027 0.000 0.774 147 S HN 0.009 nan 8.310 nan 0.000 0.501 148 I N 2.459 123.081 120.570 0.087 0.000 2.312 148 I HA 0.308 4.479 4.170 0.000 0.000 0.291 148 I C 1.385 177.532 176.117 0.050 0.000 1.031 148 I CA -0.241 61.107 61.300 0.080 0.000 1.293 148 I CB 0.991 39.048 38.000 0.096 0.000 1.403 148 I HN 0.387 nan 8.210 nan 0.000 0.484 149 E N 4.301 124.526 120.200 0.042 0.000 2.028 149 E HA -0.044 4.306 4.350 0.000 0.000 0.190 149 E C -0.218 176.388 176.600 0.010 0.000 0.984 149 E CA 1.050 57.469 56.400 0.033 0.000 0.800 149 E CB 0.474 30.196 29.700 0.036 0.000 0.758 149 E HN 0.611 nan 8.360 nan 0.000 0.448 150 T N 0.827 115.375 114.554 -0.011 0.000 2.881 150 T HA 0.386 4.736 4.350 0.000 0.000 0.290 150 T C -0.900 173.700 174.700 -0.166 0.000 1.000 150 T CA -0.706 61.316 62.100 -0.131 0.000 0.978 150 T CB 2.163 70.884 68.868 -0.245 0.000 0.997 150 T HN -0.127 nan 8.240 nan 0.000 0.443 151 V N 3.767 123.581 119.914 -0.168 0.000 2.461 151 V HA 0.360 4.481 4.120 0.000 0.000 0.275 151 V C -0.998 174.989 176.094 -0.178 0.000 1.047 151 V CA -0.554 61.698 62.300 -0.079 0.000 0.955 151 V CB 0.093 31.926 31.823 0.017 0.000 0.988 151 V HN 0.787 nan 8.190 nan 0.000 0.471 152 Y N 2.944 123.315 120.300 0.118 0.000 2.328 152 Y HA 0.403 4.953 4.550 0.000 0.000 0.337 152 Y C 0.431 176.438 175.900 0.179 0.000 0.966 152 Y CA -0.492 57.706 58.100 0.164 0.000 1.136 152 Y CB 1.572 40.067 38.460 0.060 0.000 1.170 152 Y HN 0.696 nan 8.280 nan 0.000 0.470 153 C N 7.033 126.587 119.300 0.423 0.000 2.566 153 C HA 0.464 4.924 4.460 0.000 0.000 0.393 153 C C 1.291 176.493 174.990 0.354 0.000 1.309 153 C CA -0.307 58.894 59.018 0.305 0.000 1.801 153 C CB -1.918 26.044 27.740 0.370 0.000 2.493 153 C HN 0.977 nan 8.230 nan 0.000 0.575 154 I N 3.848 124.544 120.570 0.211 0.000 4.557 154 I HA 0.439 4.609 4.170 0.000 0.000 0.333 154 I C 0.987 177.064 176.117 -0.068 0.000 1.332 154 I CA 0.041 61.489 61.300 0.246 0.000 1.240 154 I CB -0.494 37.752 38.000 0.410 0.000 1.312 154 I HN 0.647 nan 8.210 nan 0.000 0.457 155 G N 1.293 109.941 108.800 -0.253 0.000 2.529 155 G HA2 0.448 4.408 3.960 0.000 0.000 0.277 155 G HA3 0.448 4.408 3.960 0.000 0.000 0.277 155 G C 0.383 174.914 174.900 -0.614 0.000 1.383 155 G CA 0.124 45.034 45.100 -0.315 0.000 1.050 155 G HN 0.392 nan 8.290 nan 0.000 0.526 156 G N -1.532 107.028 108.800 -0.400 0.000 2.516 156 G HA2 0.405 4.365 3.960 0.000 0.000 0.276 156 G HA3 0.405 4.365 3.960 0.000 0.000 0.276 156 G C 1.387 176.080 174.900 -0.346 0.000 1.390 156 G CA 0.509 45.408 45.100 -0.335 0.000 1.050 156 G HN 0.954 nan 8.290 nan 0.000 0.519 157 G N -0.333 108.434 108.800 -0.055 0.000 2.469 157 G HA2 -0.249 3.711 3.960 0.000 0.000 0.219 157 G HA3 -0.249 3.711 3.960 0.000 0.000 0.219 157 G C 2.215 177.179 174.900 0.107 0.000 1.150 157 G CA 2.260 47.439 45.100 0.131 0.000 0.763 157 G HN 1.042 nan 8.290 nan 0.000 0.561 158 S N 0.106 115.821 115.700 0.026 0.000 2.399 158 S HA -0.078 4.392 4.470 0.000 0.000 0.231 158 S C 2.284 176.892 174.600 0.014 0.000 1.022 158 S CA 1.522 59.740 58.200 0.030 0.000 0.983 158 S CB -0.381 62.821 63.200 0.004 0.000 0.803 158 S HN 0.142 nan 8.310 nan 0.000 0.480 159 V N 0.436 120.308 119.914 -0.070 0.000 2.379 159 V HA -0.073 4.047 4.120 0.000 0.000 0.245 159 V C 2.367 178.472 176.094 0.018 0.000 1.044 159 V CA 1.471 63.715 62.300 -0.094 0.000 1.036 159 V CB -1.190 30.508 31.823 -0.209 0.000 0.664 159 V HN 0.412 nan 8.190 nan 0.000 0.453 160 Y N 1.140 121.480 120.300 0.067 0.000 2.165 160 Y HA -0.168 4.382 4.550 0.000 0.000 0.286 160 Y C 2.606 178.636 175.900 0.217 0.000 1.155 160 Y CA 0.914 59.089 58.100 0.125 0.000 1.164 160 Y CB -1.336 37.176 38.460 0.087 0.000 0.978 160 Y HN 0.198 nan 8.280 nan 0.000 0.513 161 A N -0.238 122.781 122.820 0.331 0.000 1.933 161 A HA -0.224 4.096 4.320 0.000 0.000 0.218 161 A C 2.236 179.929 177.584 0.182 0.000 1.175 161 A CA 1.779 53.960 52.037 0.240 0.000 0.628 161 A CB -0.670 18.436 19.000 0.176 0.000 0.814 161 A HN 0.513 nan 8.150 nan 0.000 0.444 162 E N -0.348 119.937 120.200 0.142 0.000 2.208 162 E HA -0.039 4.311 4.350 0.000 0.000 0.193 162 E C 2.046 178.729 176.600 0.138 0.000 0.988 162 E CA 0.689 57.149 56.400 0.100 0.000 0.828 162 E CB -0.172 29.552 29.700 0.039 0.000 0.763 162 E HN 0.566 nan 8.360 nan 0.000 0.478 163 A N 0.625 123.574 122.820 0.214 0.000 2.015 163 A HA -0.080 4.241 4.320 0.000 0.000 0.219 163 A C 1.937 179.740 177.584 0.365 0.000 1.163 163 A CA 0.744 53.003 52.037 0.369 0.000 0.646 163 A CB -0.231 19.082 19.000 0.522 0.000 0.806 163 A HN 0.271 nan 8.150 nan 0.000 0.448 164 L N -0.761 120.630 121.223 0.280 0.000 2.592 164 L HA 0.129 4.469 4.340 0.000 0.000 0.227 164 L C 1.054 178.011 176.870 0.144 0.000 1.127 164 L CA -0.081 54.892 54.840 0.221 0.000 0.884 164 L CB -0.162 42.010 42.059 0.189 0.000 1.065 164 L HN 0.498 nan 8.230 nan 0.000 0.457 165 R N 0.024 120.598 120.500 0.124 0.000 2.711 165 R HA 0.544 4.884 4.340 0.000 0.000 0.284 165 R C -2.868 173.459 176.300 0.045 0.000 0.968 165 R CA -1.932 54.212 56.100 0.074 0.000 0.924 165 R CB 1.047 31.394 30.300 0.078 0.000 1.162 165 R HN -0.283 nan 8.270 nan 0.000 0.465 166 P HA 0.028 nan 4.420 nan 0.000 0.267 166 P C -1.931 175.426 177.300 0.096 0.000 1.200 166 P CA -0.906 62.223 63.100 0.049 0.000 0.772 166 P CB 0.434 32.234 31.700 0.166 0.000 0.855 167 P HA 0.030 nan 4.420 nan 0.000 0.235 167 P C 0.521 177.927 177.300 0.177 0.000 1.177 167 P CA 0.541 63.751 63.100 0.183 0.000 0.785 167 P CB -0.086 31.702 31.700 0.147 0.000 0.885 168 C N -0.208 119.177 119.300 0.142 0.000 2.425 168 C HA -0.076 4.384 4.460 0.000 0.000 0.277 168 C C 2.829 178.022 174.990 0.338 0.000 1.280 168 C CA 0.532 59.690 59.018 0.233 0.000 1.744 168 C CB -1.718 26.115 27.740 0.155 0.000 1.989 168 C HN 0.124 nan 8.230 nan 0.000 0.491 169 V N 0.895 120.897 119.914 0.147 0.000 2.469 169 V HA -0.211 3.909 4.120 0.000 0.000 0.251 169 V C 2.378 178.483 176.094 0.019 0.000 1.064 169 V CA 1.960 64.314 62.300 0.090 0.000 1.066 169 V CB -0.741 31.075 31.823 -0.011 0.000 0.667 169 V HN 0.627 nan 8.190 nan 0.000 0.461 170 H N -0.963 118.219 119.070 0.186 0.000 2.546 170 H HA 0.092 4.649 4.556 0.000 0.000 0.277 170 H C 1.575 176.998 175.328 0.158 0.000 1.004 170 H CA 0.718 56.847 56.048 0.134 0.000 1.231 170 H CB 0.231 30.065 29.762 0.120 0.000 1.382 170 H HN 0.326 nan 8.280 nan 0.000 0.580 171 L N 0.676 122.060 121.223 0.269 0.000 2.640 171 L HA 0.091 4.431 4.340 0.000 0.000 0.230 171 L C 0.487 177.362 176.870 0.008 0.000 1.123 171 L CA -0.083 54.895 54.840 0.231 0.000 0.900 171 L CB -0.403 41.823 42.059 0.277 0.000 1.146 171 L HN 0.089 nan 8.230 nan 0.000 0.484 172 L N 1.151 122.301 121.223 -0.122 0.000 2.407 172 L HA 0.114 4.454 4.340 0.000 0.000 0.282 172 L C 1.399 178.221 176.870 -0.081 0.000 1.110 172 L CA 0.623 55.199 54.840 -0.440 0.000 0.863 172 L CB 0.638 42.590 42.059 -0.178 0.000 1.207 172 L HN 0.118 nan 8.230 nan 0.000 0.454 173 Q N 4.359 124.079 119.800 -0.133 0.000 2.212 173 Q HA 0.345 4.685 4.340 0.000 0.000 0.199 173 Q C 0.161 176.195 176.000 0.057 0.000 0.950 173 Q CA 0.962 56.765 55.803 0.001 0.000 0.863 173 Q CB 0.254 29.001 28.738 0.016 0.000 0.944 173 Q HN 0.754 nan 8.270 nan 0.000 0.465 174 A N 0.167 123.022 122.820 0.058 0.000 2.594 174 A HA 0.628 4.948 4.320 0.000 0.000 0.296 174 A C -1.473 176.085 177.584 -0.044 0.000 1.061 174 A CA -0.664 51.383 52.037 0.017 0.000 0.689 174 A CB 0.973 19.885 19.000 -0.147 0.000 1.280 174 A HN 0.115 nan 8.150 nan 0.000 0.406 175 I N 1.790 122.277 120.570 -0.138 0.000 2.382 175 I HA 0.330 4.500 4.170 0.000 0.000 0.286 175 I C -1.421 174.610 176.117 -0.142 0.000 1.002 175 I CA -0.383 60.842 61.300 -0.125 0.000 1.135 175 I CB 1.391 39.244 38.000 -0.245 0.000 1.288 175 I HN 0.627 nan 8.210 nan 0.000 0.448 176 Y N 5.852 126.251 120.300 0.166 0.000 2.454 176 Y HA 0.441 4.991 4.550 0.000 0.000 0.345 176 Y C 0.369 176.393 175.900 0.207 0.000 0.970 176 Y CA -0.474 57.773 58.100 0.244 0.000 1.204 176 Y CB 0.708 39.394 38.460 0.376 0.000 1.122 176 Y HN 0.443 nan 8.280 nan 0.000 0.514 177 R N 2.003 122.655 120.500 0.254 0.000 2.343 177 R HA 0.473 4.814 4.340 0.000 0.000 0.320 177 R C -1.017 175.363 176.300 0.134 0.000 0.956 177 R CA -0.417 55.783 56.100 0.166 0.000 0.836 177 R CB 0.888 31.255 30.300 0.112 0.000 1.151 177 R HN 0.543 nan 8.270 nan 0.000 0.450 178 T N 3.096 117.718 114.554 0.113 0.000 2.767 178 T HA 0.217 4.567 4.350 0.000 0.000 0.288 178 T C -0.368 174.186 174.700 -0.243 0.000 0.963 178 T CA -0.168 61.909 62.100 -0.038 0.000 1.019 178 T CB 1.484 70.399 68.868 0.078 0.000 0.923 178 T HN 0.440 nan 8.240 nan 0.000 0.468 179 T N 5.015 119.230 114.554 -0.565 0.000 2.758 179 T HA 0.415 4.766 4.350 0.000 0.000 0.285 179 T C 0.105 174.411 174.700 -0.655 0.000 0.981 179 T CA -0.663 61.028 62.100 -0.681 0.000 0.965 179 T CB 0.247 68.492 68.868 -1.037 0.000 0.927 179 T HN 0.338 nan 8.240 nan 0.000 0.448 180 I N 3.546 123.756 120.570 -0.599 0.000 2.331 180 I HA 0.304 4.474 4.170 0.000 0.000 0.292 180 I C 0.937 176.792 176.117 -0.437 0.000 0.998 180 I CA -0.610 60.321 61.300 -0.615 0.000 1.267 180 I CB 0.942 38.235 38.000 -1.178 0.000 1.386 180 I HN 0.465 nan 8.210 nan 0.000 0.476 181 R N 4.957 125.305 120.500 -0.252 0.000 3.268 181 R HA 0.545 4.885 4.340 0.000 0.000 0.217 181 R C -0.210 176.017 176.300 -0.121 0.000 1.568 181 R CA -0.115 55.904 56.100 -0.135 0.000 1.322 181 R CB 0.159 30.432 30.300 -0.045 0.000 1.280 181 R HN 0.754 nan 8.270 nan 0.000 0.667 182 A N 0.328 123.060 122.820 -0.147 0.000 2.566 182 A HA 0.612 4.932 4.320 0.000 0.000 0.292 182 A C -0.810 176.755 177.584 -0.032 0.000 1.112 182 A CA -0.607 51.386 52.037 -0.073 0.000 0.707 182 A CB 2.168 21.131 19.000 -0.062 0.000 1.302 182 A HN 0.263 nan 8.150 nan 0.000 0.409 183 S N 1.416 117.126 115.700 0.017 0.000 2.669 183 S HA 0.407 4.877 4.470 0.000 0.000 0.315 183 S C -1.105 173.540 174.600 0.076 0.000 1.106 183 S CA -0.434 57.796 58.200 0.050 0.000 1.107 183 S CB 0.737 63.964 63.200 0.044 0.000 0.990 183 S HN 0.536 nan 8.310 nan 0.000 0.471 184 E N 2.182 122.448 120.200 0.110 0.000 2.055 184 E HA 0.238 4.588 4.350 0.000 0.000 0.274 184 E C 0.504 177.161 176.600 0.096 0.000 0.949 184 E CA -0.215 56.252 56.400 0.111 0.000 0.775 184 E CB 1.327 31.122 29.700 0.159 0.000 1.097 184 E HN 0.485 nan 8.360 nan 0.000 0.404 185 S N 1.814 117.561 115.700 0.078 0.000 2.387 185 S HA -0.236 4.234 4.470 0.000 0.000 0.230 185 S C 1.882 176.520 174.600 0.063 0.000 1.035 185 S CA 1.646 59.891 58.200 0.075 0.000 1.014 185 S CB -0.048 63.186 63.200 0.055 0.000 0.836 185 S HN 0.590 nan 8.310 nan 0.000 0.466 186 S N 0.325 116.048 115.700 0.039 0.000 2.402 186 S HA -0.130 4.340 4.470 0.000 0.000 0.233 186 S C 0.884 175.468 174.600 -0.026 0.000 1.030 186 S CA 0.542 58.746 58.200 0.007 0.000 1.003 186 S CB -0.802 62.396 63.200 -0.004 0.000 0.813 186 S HN 0.568 nan 8.310 nan 0.000 0.477 187 C N 2.821 122.097 119.300 -0.040 0.000 2.648 187 C HA 0.385 4.845 4.460 0.000 0.000 0.415 187 C C 1.798 176.653 174.990 -0.225 0.000 1.366 187 C CA 0.281 59.191 59.018 -0.180 0.000 1.756 187 C CB 0.101 27.699 27.740 -0.237 0.000 2.549 187 C HN 0.732 nan 8.230 nan 0.000 0.597 188 S N 1.337 116.882 115.700 -0.258 0.000 2.632 188 S HA 0.211 4.682 4.470 0.000 0.000 0.237 188 S C -0.148 174.377 174.600 -0.125 0.000 1.037 188 S CA -0.128 58.023 58.200 -0.083 0.000 1.009 188 S CB -0.011 63.193 63.200 0.007 0.000 0.974 188 S HN 0.477 nan 8.310 nan 0.000 0.544 189 V N 2.314 122.004 119.914 -0.373 0.000 2.555 189 V HA 0.673 4.793 4.120 0.000 0.000 0.302 189 V C -1.137 174.705 176.094 -0.419 0.000 1.038 189 V CA -0.702 61.486 62.300 -0.187 0.000 0.887 189 V CB 1.085 32.871 31.823 -0.062 0.000 0.991 189 V HN 0.368 nan 8.190 nan 0.000 0.434 190 F N 3.449 123.482 119.950 0.139 0.000 2.577 190 F HA 0.736 5.263 4.527 0.000 0.000 0.318 190 F C -0.702 175.240 175.800 0.237 0.000 1.065 190 F CA -0.816 57.277 58.000 0.156 0.000 0.929 190 F CB 2.192 41.248 39.000 0.092 0.000 1.237 190 F HN 0.450 nan 8.300 nan 0.000 0.468 191 F N 2.477 122.560 119.950 0.220 0.000 2.562 191 F HA 0.692 5.219 4.527 0.000 0.000 0.319 191 F C -1.245 174.579 175.800 0.040 0.000 1.154 191 F CA -0.690 57.360 58.000 0.083 0.000 0.931 191 F CB 1.275 40.228 39.000 -0.078 0.000 1.198 191 F HN 0.433 nan 8.300 nan 0.000 0.444 192 R N 5.174 125.228 120.500 -0.744 0.000 2.532 192 R HA 0.574 4.914 4.340 0.000 0.000 0.297 192 R C -1.606 174.217 176.300 -0.795 0.000 0.984 192 R CA -1.183 54.546 56.100 -0.618 0.000 0.884 192 R CB 2.427 32.575 30.300 -0.253 0.000 1.182 192 R HN 0.439 nan 8.270 nan 0.000 0.442 193 V N 4.564 124.072 119.914 -0.677 0.000 2.470 193 V HA 0.164 4.284 4.120 0.000 0.000 0.276 193 V C -1.820 174.121 176.094 -0.255 0.000 1.040 193 V CA -1.441 60.542 62.300 -0.528 0.000 1.008 193 V CB 0.547 32.090 31.823 -0.466 0.000 0.990 193 V HN 0.615 nan 8.190 nan 0.000 0.477 194 P HA 0.246 nan 4.420 nan 0.000 0.271 194 P C -0.169 177.191 177.300 0.100 0.000 1.216 194 P CA -0.240 62.863 63.100 0.005 0.000 0.771 194 P CB 0.617 32.361 31.700 0.074 0.000 0.864 195 E N 0.585 120.824 120.200 0.065 0.000 2.349 195 E HA 0.241 4.591 4.350 0.000 0.000 0.262 195 E C -0.048 176.603 176.600 0.086 0.000 1.088 195 E CA -0.628 55.819 56.400 0.080 0.000 0.899 195 E CB 0.438 30.162 29.700 0.039 0.000 1.044 195 E HN 0.360 nan 8.360 nan 0.000 0.420 196 S N 0.872 116.617 115.700 0.076 0.000 2.573 196 S HA 0.153 4.623 4.470 0.000 0.000 0.297 196 S C 1.220 175.840 174.600 0.033 0.000 1.280 196 S CA 0.631 58.859 58.200 0.047 0.000 1.061 196 S CB 0.329 63.546 63.200 0.028 0.000 0.812 196 S HN 0.899 nan 8.310 nan 0.000 0.500 197 G N 2.053 110.869 108.800 0.026 0.000 2.234 197 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 197 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 197 G C 0.315 175.230 174.900 0.025 0.000 0.987 197 G CA 0.432 45.544 45.100 0.020 0.000 0.625 197 G HN 1.196 nan 8.290 nan 0.000 0.532 198 T N -1.657 112.918 114.554 0.034 0.000 2.899 198 T HA 0.581 4.931 4.350 0.000 0.000 0.295 198 T C 1.151 175.874 174.700 0.039 0.000 1.033 198 T CA 0.558 62.678 62.100 0.032 0.000 1.084 198 T CB 1.707 70.594 68.868 0.031 0.000 0.979 198 T HN 0.316 nan 8.240 nan 0.000 0.532 199 E N 1.336 121.556 120.200 0.034 0.000 2.085 199 E HA -0.136 4.214 4.350 0.000 0.000 0.194 199 E C 2.437 179.067 176.600 0.050 0.000 0.994 199 E CA 1.174 57.598 56.400 0.039 0.000 0.801 199 E CB -0.427 29.292 29.700 0.032 0.000 0.743 199 E HN 0.863 nan 8.360 nan 0.000 0.453 200 A N 1.211 124.058 122.820 0.045 0.000 2.076 200 A HA -0.103 4.217 4.320 0.000 0.000 0.220 200 A C 2.252 179.884 177.584 0.080 0.000 1.160 200 A CA 1.515 53.583 52.037 0.051 0.000 0.653 200 A CB -0.397 18.621 19.000 0.030 0.000 0.801 200 A HN 0.283 nan 8.150 nan 0.000 0.455 201 A N -1.586 121.291 122.820 0.093 0.000 2.169 201 A HA 0.456 4.777 4.320 0.000 0.000 0.212 201 A C 1.572 179.228 177.584 0.120 0.000 1.153 201 A CA 1.148 53.270 52.037 0.142 0.000 0.756 201 A CB -0.780 18.301 19.000 0.135 0.000 0.813 201 A HN 1.997 nan 8.150 nan 0.000 0.471 202 A N -2.137 120.742 122.820 0.098 0.000 2.745 202 A HA 0.158 4.478 4.320 0.000 0.000 0.296 202 A C 1.931 179.600 177.584 0.141 0.000 1.500 202 A CA 1.438 53.547 52.037 0.119 0.000 0.766 202 A CB -2.011 17.049 19.000 0.101 0.000 1.030 202 A HN 2.497 nan 8.150 nan 0.000 0.489 203 G N -2.652 106.197 108.800 0.081 0.000 2.179 203 G HA2 -0.252 3.708 3.960 0.000 0.000 0.260 203 G HA3 -0.252 3.708 3.960 0.000 0.000 0.260 203 G C 0.188 175.086 174.900 -0.003 0.000 0.977 203 G CA 0.556 45.683 45.100 0.046 0.000 0.641 203 G HN 1.493 nan 8.290 nan 0.000 0.533 204 I N 0.635 121.188 120.570 -0.030 0.000 2.440 204 I HA 0.431 4.601 4.170 0.000 0.000 0.294 204 I C 0.527 176.496 176.117 -0.247 0.000 0.995 204 I CA -0.384 60.793 61.300 -0.205 0.000 1.306 204 I CB 1.650 39.451 38.000 -0.333 0.000 1.407 204 I HN 0.149 nan 8.210 nan 0.000 0.501 205 E N 5.919 125.924 120.200 -0.325 0.000 2.376 205 E HA 0.211 4.562 4.350 0.000 0.000 0.236 205 E C -1.473 174.992 176.600 -0.224 0.000 0.962 205 E CA -0.685 55.602 56.400 -0.188 0.000 0.768 205 E CB 0.577 30.212 29.700 -0.108 0.000 1.236 205 E HN 0.388 nan 8.360 nan 0.000 0.431 206 W N 2.770 124.068 121.300 -0.004 0.000 2.251 206 W HA 0.113 4.772 4.660 -0.000 0.000 0.327 206 W C 0.596 177.112 176.519 -0.006 0.000 1.361 206 W CA -0.107 57.234 57.345 -0.007 0.000 1.234 206 W CB 0.615 30.071 29.460 -0.007 0.000 1.212 206 W HN 0.320 nan 8.180 nan 0.000 0.557 207 Q N 2.142 122.088 119.800 0.243 0.000 2.397 207 Q HA 0.343 4.683 4.340 0.000 0.000 0.275 207 Q C -0.625 175.462 176.000 0.145 0.000 1.090 207 Q CA -1.456 54.431 55.803 0.140 0.000 0.809 207 Q CB 2.672 31.451 28.738 0.068 0.000 1.362 207 Q HN 0.404 nan 8.270 nan 0.000 0.431 208 R N 1.870 122.433 120.500 0.104 0.000 2.296 208 R HA 0.014 4.354 4.340 0.000 0.000 0.323 208 R C 0.741 177.091 176.300 0.084 0.000 1.067 208 R CA 0.316 56.471 56.100 0.090 0.000 0.946 208 R CB 0.563 30.906 30.300 0.071 0.000 0.991 208 R HN 0.797 nan 8.270 nan 0.000 0.448 209 E N 2.447 122.700 120.200 0.089 0.000 2.060 209 E HA -0.047 4.303 4.350 0.000 0.000 0.189 209 E C -0.305 176.356 176.600 0.102 0.000 0.974 209 E CA 1.092 57.554 56.400 0.103 0.000 0.808 209 E CB 0.374 30.136 29.700 0.103 0.000 0.768 209 E HN 0.707 nan 8.360 nan 0.000 0.453 210 T N -1.189 113.423 114.554 0.097 0.000 2.909 210 T HA 0.605 4.955 4.350 0.000 0.000 0.299 210 T C -0.605 174.157 174.700 0.103 0.000 1.073 210 T CA -0.888 61.273 62.100 0.101 0.000 0.999 210 T CB 1.902 70.841 68.868 0.120 0.000 1.098 210 T HN 0.149 nan 8.240 nan 0.000 0.477 211 I N 2.405 123.027 120.570 0.087 0.000 2.569 211 I HA 0.544 4.714 4.170 0.000 0.000 0.290 211 I C 0.169 176.331 176.117 0.075 0.000 1.088 211 I CA -0.575 60.779 61.300 0.090 0.000 1.047 211 I CB 2.125 40.144 38.000 0.032 0.000 1.237 211 I HN 1.060 nan 8.210 nan 0.000 0.421 212 S N 4.540 120.312 115.700 0.119 0.000 2.614 212 S HA 0.328 4.798 4.470 0.000 0.000 0.265 212 S C -0.022 174.574 174.600 -0.006 0.000 1.303 212 S CA -0.437 57.819 58.200 0.093 0.000 1.000 212 S CB 1.318 64.631 63.200 0.189 0.000 0.935 212 S HN 0.700 nan 8.310 nan 0.000 0.551 213 E N 0.333 120.517 120.200 -0.027 0.000 2.422 213 E HA 0.093 4.443 4.350 0.000 0.000 0.260 213 E C -0.193 176.325 176.600 -0.137 0.000 1.108 213 E CA 0.008 56.358 56.400 -0.083 0.000 0.943 213 E CB 0.425 30.089 29.700 -0.060 0.000 0.961 213 E HN 0.695 nan 8.360 nan 0.000 0.443 214 E N 2.348 122.445 120.200 -0.172 0.000 2.299 214 E HA 0.199 4.549 4.350 0.000 0.000 0.272 214 E C -0.831 175.618 176.600 -0.253 0.000 1.043 214 E CA -0.095 56.184 56.400 -0.202 0.000 0.895 214 E CB 0.316 29.914 29.700 -0.169 0.000 1.011 214 E HN 0.360 nan 8.360 nan 0.000 0.432 215 L N 2.824 123.766 121.223 -0.468 0.000 2.303 215 L HA 0.494 4.834 4.340 0.000 0.000 0.266 215 L C -0.117 176.496 176.870 -0.427 0.000 1.011 215 L CA -0.903 53.640 54.840 -0.495 0.000 0.818 215 L CB 2.256 43.903 42.059 -0.687 0.000 1.326 215 L HN 0.413 nan 8.230 nan 0.000 0.435 216 T N 0.042 114.520 114.554 -0.126 0.000 2.797 216 T HA 0.257 4.607 4.350 0.000 0.000 0.279 216 T C -0.199 174.647 174.700 0.244 0.000 0.991 216 T CA -0.424 61.708 62.100 0.053 0.000 0.979 216 T CB 1.536 70.417 68.868 0.022 0.000 0.943 216 T HN 0.538 nan 8.240 nan 0.000 0.444 217 S N 2.075 117.957 115.700 0.303 0.000 2.548 217 S HA 0.426 4.896 4.470 0.000 0.000 0.277 217 S C 0.723 175.375 174.600 0.087 0.000 1.315 217 S CA -0.822 57.486 58.200 0.179 0.000 1.050 217 S CB 0.141 63.346 63.200 0.009 0.000 0.918 217 S HN 0.829 nan 8.310 nan 0.000 0.497 218 A N 4.757 127.616 122.820 0.066 0.000 3.063 218 A HA 0.248 4.568 4.320 0.000 0.000 0.263 218 A C 0.820 178.418 177.584 0.023 0.000 1.736 218 A CA -0.526 51.536 52.037 0.043 0.000 1.408 218 A CB -0.912 18.114 19.000 0.043 0.000 1.108 218 A HN 0.873 nan 8.150 nan 0.000 0.621 219 N N -0.052 118.660 118.700 0.020 0.000 2.197 219 N HA 0.225 4.965 4.740 0.000 0.000 0.228 219 N C 0.891 176.412 175.510 0.018 0.000 1.212 219 N CA 0.533 53.592 53.050 0.014 0.000 0.883 219 N CB 0.136 38.629 38.487 0.009 0.000 1.107 219 N HN 0.807 nan 8.380 nan 0.000 0.519 220 G N 0.875 109.686 108.800 0.019 0.000 2.234 220 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 220 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 220 G C 0.570 175.480 174.900 0.017 0.000 0.987 220 G CA 0.373 45.483 45.100 0.017 0.000 0.625 220 G HN 0.452 nan 8.290 nan 0.000 0.532 221 N N 0.829 119.540 118.700 0.019 0.000 2.184 221 N HA 0.265 5.005 4.740 0.000 0.000 0.206 221 N C 0.569 176.089 175.510 0.017 0.000 1.151 221 N CA 0.644 53.705 53.050 0.018 0.000 0.878 221 N CB 0.428 38.928 38.487 0.021 0.000 1.014 221 N HN 0.532 nan 8.380 nan 0.000 0.512 222 E N -0.040 120.173 120.200 0.021 0.000 2.440 222 E HA -0.157 4.193 4.350 0.000 0.000 0.246 222 E C -0.816 175.799 176.600 0.025 0.000 1.165 222 E CA 0.648 57.062 56.400 0.024 0.000 0.726 222 E CB -2.063 27.646 29.700 0.015 0.000 1.271 222 E HN 0.178 nan 8.360 nan 0.000 0.397 223 T N 1.077 115.648 114.554 0.028 0.000 2.817 223 T HA 0.129 4.479 4.350 0.000 0.000 0.295 223 T C 0.569 175.309 174.700 0.068 0.000 0.958 223 T CA -0.127 61.983 62.100 0.017 0.000 1.157 223 T CB 0.642 69.500 68.868 -0.018 0.000 0.898 223 T HN 0.072 nan 8.240 nan 0.000 0.536 224 K N 2.635 123.050 120.400 0.025 0.000 2.218 224 K HA 0.472 4.792 4.320 0.000 0.000 0.276 224 K C -0.538 176.081 176.600 0.030 0.000 1.022 224 K CA -0.558 55.736 56.287 0.011 0.000 0.946 224 K CB 0.636 33.120 32.500 -0.028 0.000 1.000 224 K HN 0.740 nan 8.250 nan 0.000 0.468 225 Y N -0.117 120.084 120.300 -0.166 0.000 2.670 225 Y HA 0.576 5.127 4.550 0.000 0.000 0.334 225 Y C -1.419 174.331 175.900 -0.251 0.000 1.185 225 Y CA -1.588 56.321 58.100 -0.318 0.000 1.053 225 Y CB 0.863 39.061 38.460 -0.436 0.000 1.298 225 Y HN 0.632 nan 8.280 nan 0.000 0.459 226 Y N -1.095 118.937 120.300 -0.447 0.000 2.689 226 Y HA 0.819 5.369 4.550 0.000 0.000 0.333 226 Y C -2.407 173.182 175.900 -0.517 0.000 1.208 226 Y CA -2.476 55.299 58.100 -0.543 0.000 1.055 226 Y CB 1.188 39.463 38.460 -0.308 0.000 1.304 226 Y HN 0.523 nan 8.280 nan 0.000 0.455 227 F N 0.816 120.800 119.950 0.056 0.000 2.508 227 F HA 0.661 5.188 4.527 0.000 0.000 0.325 227 F C -0.312 175.525 175.800 0.062 0.000 1.090 227 F CA -0.877 57.075 58.000 -0.081 0.000 0.945 227 F CB 2.195 41.015 39.000 -0.300 0.000 1.156 227 F HN 0.503 nan 8.300 nan 0.000 0.463 228 E N 1.402 121.751 120.200 0.248 0.000 2.293 228 E HA 0.356 4.706 4.350 0.000 0.000 0.270 228 E C -1.238 175.459 176.600 0.162 0.000 0.879 228 E CA -1.214 55.304 56.400 0.197 0.000 0.756 228 E CB 2.990 32.796 29.700 0.177 0.000 1.208 228 E HN 0.386 nan 8.360 nan 0.000 0.428 229 K N 3.914 124.380 120.400 0.111 0.000 2.358 229 K HA 0.420 4.740 4.320 0.000 0.000 0.260 229 K C -1.304 175.291 176.600 -0.008 0.000 0.956 229 K CA -0.423 55.853 56.287 -0.018 0.000 0.834 229 K CB 0.653 33.132 32.500 -0.035 0.000 1.102 229 K HN 0.454 nan 8.250 nan 0.000 0.431 230 L N 6.135 127.341 121.223 -0.028 0.000 2.334 230 L HA 0.631 4.971 4.340 0.000 0.000 0.273 230 L C -0.044 176.941 176.870 0.191 0.000 1.013 230 L CA -1.166 53.733 54.840 0.098 0.000 0.816 230 L CB 1.460 43.573 42.059 0.090 0.000 1.278 230 L HN 0.590 nan 8.230 nan 0.000 0.431 231 I N -0.325 120.413 120.570 0.279 0.000 2.730 231 I HA 0.603 4.773 4.170 0.000 0.000 0.298 231 I C -2.744 173.414 176.117 0.070 0.000 1.089 231 I CA -2.486 58.940 61.300 0.211 0.000 1.041 231 I CB 2.495 40.530 38.000 0.058 0.000 1.235 231 I HN 0.266 nan 8.210 nan 0.000 0.423 232 P HA 0.174 nan 4.420 nan 0.000 0.282 232 P C -0.657 176.441 177.300 -0.336 0.000 1.274 232 P CA -0.275 62.419 63.100 -0.677 0.000 0.770 232 P CB 0.899 32.082 31.700 -0.861 0.000 0.867 233 R N 3.710 124.046 120.500 -0.272 0.000 2.485 233 R HA -0.074 4.266 4.340 0.000 0.000 0.304 233 R C 0.407 176.598 176.300 -0.182 0.000 0.934 233 R CA 0.278 56.278 56.100 -0.168 0.000 1.102 233 R CB -0.270 29.953 30.300 -0.127 0.000 0.906 233 R HN 0.367 nan 8.270 nan 0.000 0.407 234 N N 4.435 123.030 118.700 -0.174 0.000 2.918 234 N HA 0.048 4.788 4.740 0.000 0.000 0.247 234 N C 0.398 175.824 175.510 -0.140 0.000 1.117 234 N CA -0.194 52.718 53.050 -0.230 0.000 1.005 234 N CB 0.477 38.731 38.487 -0.388 0.000 1.297 234 N HN 0.509 nan 8.380 nan 0.000 0.513 235 R N 1.613 122.053 120.500 -0.099 0.000 2.105 235 R HA -0.131 4.209 4.340 0.000 0.000 0.239 235 R C 1.030 177.312 176.300 -0.029 0.000 1.135 235 R CA 1.244 57.309 56.100 -0.059 0.000 0.967 235 R CB 0.028 30.292 30.300 -0.061 0.000 0.861 235 R HN 0.648 nan 8.270 nan 0.000 0.442 236 E N 0.355 120.555 120.200 -0.000 0.000 2.051 236 E HA -0.202 4.148 4.350 0.000 0.000 0.192 236 E C 1.925 178.684 176.600 0.265 0.000 0.991 236 E CA 1.034 57.482 56.400 0.081 0.000 0.799 236 E CB -0.075 29.814 29.700 0.316 0.000 0.748 236 E HN 0.419 nan 8.360 nan 0.000 0.449 237 E N 0.917 121.266 120.200 0.249 0.000 2.204 237 E HA -0.192 4.158 4.350 0.000 0.000 0.194 237 E C 1.633 178.380 176.600 0.244 0.000 0.989 237 E CA 0.749 57.333 56.400 0.308 0.000 0.824 237 E CB 0.161 29.929 29.700 0.114 0.000 0.756 237 E HN 0.241 nan 8.360 nan 0.000 0.477 238 E N 0.107 120.374 120.200 0.112 0.000 2.204 238 E HA -0.187 4.163 4.350 0.000 0.000 0.194 238 E C 2.077 178.718 176.600 0.069 0.000 0.989 238 E CA 0.691 57.135 56.400 0.074 0.000 0.824 238 E CB 0.071 29.779 29.700 0.013 0.000 0.756 238 E HN 0.377 nan 8.360 nan 0.000 0.477 239 Q N -0.138 119.704 119.800 0.071 0.000 2.061 239 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 239 Q C 1.982 178.035 176.000 0.088 0.000 0.984 239 Q CA 1.818 57.641 55.803 0.033 0.000 0.846 239 Q CB -0.347 28.372 28.738 -0.033 0.000 0.902 239 Q HN 0.398 nan 8.270 nan 0.000 0.421 240 Y N 1.230 121.581 120.300 0.085 0.000 2.145 240 Y HA -0.220 4.330 4.550 0.000 0.000 0.286 240 Y C 1.796 177.729 175.900 0.055 0.000 1.145 240 Y CA 1.447 59.610 58.100 0.105 0.000 1.148 240 Y CB -0.186 38.396 38.460 0.203 0.000 0.981 240 Y HN -0.002 nan 8.280 nan 0.000 0.507 241 L N -0.753 120.493 121.223 0.039 0.000 2.056 241 L HA -0.209 4.131 4.340 0.000 0.000 0.207 241 L C 2.513 179.315 176.870 -0.114 0.000 1.078 241 L CA 1.438 56.230 54.840 -0.081 0.000 0.749 241 L CB -0.768 41.324 42.059 0.055 0.000 0.901 241 L HN 0.166 nan 8.230 nan 0.000 0.433 242 S N 0.199 115.861 115.700 -0.064 0.000 2.383 242 S HA -0.180 4.290 4.470 0.000 0.000 0.229 242 S C 1.854 176.396 174.600 -0.098 0.000 1.030 242 S CA 1.202 59.361 58.200 -0.067 0.000 1.002 242 S CB -0.306 62.866 63.200 -0.046 0.000 0.829 242 S HN 0.215 nan 8.310 nan 0.000 0.467 243 L N 1.772 122.917 121.223 -0.131 0.000 2.027 243 L HA -0.007 4.333 4.340 0.000 0.000 0.206 243 L C 2.231 178.994 176.870 -0.178 0.000 1.074 243 L CA 1.483 56.235 54.840 -0.148 0.000 0.745 243 L CB -0.784 41.182 42.059 -0.156 0.000 0.898 243 L HN 0.120 nan 8.230 nan 0.000 0.433 244 V N -0.174 119.578 119.914 -0.270 0.000 2.287 244 V HA -0.338 3.782 4.120 0.000 0.000 0.248 244 V C 2.325 178.340 176.094 -0.133 0.000 1.053 244 V CA 2.084 64.241 62.300 -0.237 0.000 1.027 244 V CB -0.776 30.850 31.823 -0.328 0.000 0.646 244 V HN 0.559 nan 8.190 nan 0.000 0.447 245 D N -0.369 119.961 120.400 -0.115 0.000 2.117 245 D HA -0.215 4.425 4.640 0.000 0.000 0.197 245 D C 2.375 178.639 176.300 -0.060 0.000 0.987 245 D CA 1.376 55.333 54.000 -0.072 0.000 0.829 245 D CB -0.138 40.626 40.800 -0.061 0.000 0.961 245 D HN 0.230 nan 8.370 nan 0.000 0.460 246 R N -0.332 120.127 120.500 -0.068 0.000 2.081 246 R HA -0.063 4.277 4.340 0.000 0.000 0.235 246 R C 2.395 178.666 176.300 -0.048 0.000 1.131 246 R CA 1.069 57.137 56.100 -0.054 0.000 0.960 246 R CB -0.218 30.047 30.300 -0.058 0.000 0.856 246 R HN 0.305 nan 8.270 nan 0.000 0.436 247 I N 0.431 120.965 120.570 -0.060 0.000 2.179 247 I HA -0.319 3.851 4.170 0.000 0.000 0.242 247 I C 2.187 178.283 176.117 -0.035 0.000 1.088 247 I CA 1.381 62.652 61.300 -0.048 0.000 1.357 247 I CB -0.218 37.745 38.000 -0.061 0.000 1.051 247 I HN 0.186 nan 8.210 nan 0.000 0.409 248 I N 0.206 120.755 120.570 -0.036 0.000 2.163 248 I HA -0.305 3.865 4.170 0.000 0.000 0.243 248 I C 2.758 178.863 176.117 -0.019 0.000 1.085 248 I CA 1.502 62.789 61.300 -0.021 0.000 1.347 248 I CB -0.443 37.547 38.000 -0.018 0.000 1.044 248 I HN 0.156 nan 8.210 nan 0.000 0.408 249 R N 0.695 121.181 120.500 -0.024 0.000 2.075 249 R HA -0.139 4.201 4.340 0.000 0.000 0.232 249 R C 1.210 177.500 176.300 -0.017 0.000 1.126 249 R CA 1.683 57.771 56.100 -0.019 0.000 0.963 249 R CB -0.010 30.276 30.300 -0.022 0.000 0.858 249 R HN 0.569 nan 8.270 nan 0.000 0.435 250 E N -1.044 119.144 120.200 -0.020 0.000 2.789 250 E HA 0.166 4.516 4.350 0.000 0.000 0.217 250 E C 0.120 176.711 176.600 -0.015 0.000 0.970 250 E CA -0.313 56.078 56.400 -0.016 0.000 1.201 250 E CB 0.727 30.418 29.700 -0.015 0.000 1.069 250 E HN 0.096 nan 8.360 nan 0.000 0.499 251 G N 1.321 110.110 108.800 -0.018 0.000 2.527 251 G HA2 0.117 4.077 3.960 0.000 0.000 0.248 251 G HA3 0.117 4.077 3.960 0.000 0.000 0.248 251 G C -0.089 174.798 174.900 -0.021 0.000 1.231 251 G CA -0.480 44.609 45.100 -0.017 0.000 0.838 251 G HN 0.074 nan 8.290 nan 0.000 0.570 252 N N -0.067 118.620 118.700 -0.021 0.000 2.529 252 N HA 0.114 4.854 4.740 0.000 0.000 0.278 252 N C 0.062 175.538 175.510 -0.057 0.000 1.146 252 N CA -0.355 52.676 53.050 -0.031 0.000 0.980 252 N CB 2.025 40.495 38.487 -0.027 0.000 1.124 252 N HN 0.132 nan 8.380 nan 0.000 0.458 253 V N 2.623 122.499 119.914 -0.065 0.000 2.521 253 V HA 0.105 4.225 4.120 0.000 0.000 0.286 253 V C 0.640 176.635 176.094 -0.165 0.000 1.034 253 V CA 0.315 62.544 62.300 -0.119 0.000 1.045 253 V CB -0.075 31.696 31.823 -0.087 0.000 0.974 253 V HN 0.541 nan 8.190 nan 0.000 0.480 254 K N 3.064 123.297 120.400 -0.279 0.000 2.480 254 K HA 0.674 4.994 4.320 0.000 0.000 0.258 254 K C -1.489 174.802 176.600 -0.513 0.000 0.990 254 K CA -1.105 55.022 56.287 -0.268 0.000 0.857 254 K CB 2.368 34.765 32.500 -0.170 0.000 1.384 254 K HN 0.736 nan 8.250 nan 0.000 0.446 255 H N 0.288 119.329 119.070 -0.049 0.000 2.589 255 H HA 0.132 4.689 4.556 0.000 0.000 0.351 255 H C -0.778 174.524 175.328 -0.042 0.000 1.074 255 H CA -0.857 55.171 56.048 -0.033 0.000 1.203 255 H CB 1.396 31.152 29.762 -0.009 0.000 1.558 255 H HN 0.634 nan 8.280 nan 0.000 0.522 256 D N 0.795 121.231 120.400 0.061 0.000 2.440 256 D HA 0.080 4.720 4.640 0.000 0.000 0.269 256 D C 1.137 177.479 176.300 0.070 0.000 1.249 256 D CA -0.629 53.388 54.000 0.028 0.000 1.055 256 D CB 0.896 41.704 40.800 0.013 0.000 1.104 256 D HN 0.384 nan 8.370 nan 0.000 0.561 257 R N -1.282 119.258 120.500 0.066 0.000 2.096 257 R HA -0.091 4.249 4.340 0.000 0.000 0.235 257 R C 2.052 178.392 176.300 0.066 0.000 1.127 257 R CA 1.909 58.048 56.100 0.065 0.000 0.968 257 R CB -0.884 29.459 30.300 0.072 0.000 0.861 257 R HN 0.785 nan 8.270 nan 0.000 0.440 258 T N -3.099 111.505 114.554 0.083 0.000 3.055 258 T HA 0.090 4.440 4.350 0.000 0.000 0.265 258 T C 1.420 176.160 174.700 0.068 0.000 1.111 258 T CA 0.894 63.039 62.100 0.076 0.000 1.118 258 T CB 0.312 69.233 68.868 0.088 0.000 0.909 258 T HN 0.440 nan 8.240 nan 0.000 0.501 259 G N 0.515 109.367 108.800 0.087 0.000 2.144 259 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 259 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 259 G C -0.018 174.981 174.900 0.164 0.000 0.988 259 G CA -0.189 44.963 45.100 0.086 0.000 0.659 259 G HN 0.680 nan 8.290 nan 0.000 0.522 260 V N 1.116 121.137 119.914 0.178 0.000 2.614 260 V HA 0.583 4.703 4.120 0.000 0.000 0.291 260 V C 1.526 177.760 176.094 0.233 0.000 1.049 260 V CA 0.225 62.650 62.300 0.208 0.000 1.038 260 V CB 1.315 33.261 31.823 0.204 0.000 0.980 260 V HN 0.747 nan 8.190 nan 0.000 0.481 261 G N 2.997 111.923 108.800 0.210 0.000 2.442 261 G HA2 0.461 4.421 3.960 0.000 0.000 0.249 261 G HA3 0.461 4.421 3.960 0.000 0.000 0.249 261 G C -0.221 174.643 174.900 -0.060 0.000 1.263 261 G CA 0.053 45.142 45.100 -0.019 0.000 0.846 261 G HN 0.685 nan 8.290 nan 0.000 0.555 262 T N 1.086 115.501 114.554 -0.232 0.000 2.916 262 T HA 0.484 4.834 4.350 0.000 0.000 0.305 262 T C -0.491 174.106 174.700 -0.172 0.000 1.119 262 T CA -0.415 61.552 62.100 -0.221 0.000 1.008 262 T CB 1.186 69.842 68.868 -0.353 0.000 1.129 262 T HN 0.348 nan 8.240 nan 0.000 0.480 263 L N 2.369 123.529 121.223 -0.104 0.000 2.307 263 L HA 0.771 5.111 4.340 0.000 0.000 0.284 263 L C -0.047 176.803 176.870 -0.033 0.000 1.023 263 L CA -0.674 54.128 54.840 -0.064 0.000 0.810 263 L CB 1.845 43.883 42.059 -0.035 0.000 1.231 263 L HN 0.523 nan 8.230 nan 0.000 0.423 264 S N 3.319 119.004 115.700 -0.025 0.000 2.547 264 S HA 0.787 5.258 4.470 0.000 0.000 0.281 264 S C -0.824 173.789 174.600 0.022 0.000 1.118 264 S CA -0.561 57.647 58.200 0.014 0.000 0.947 264 S CB 1.436 64.634 63.200 -0.002 0.000 1.053 264 S HN 0.448 nan 8.310 nan 0.000 0.482 265 I N 1.196 121.790 120.570 0.039 0.000 2.957 265 I HA 0.834 5.004 4.170 0.000 0.000 0.310 265 I C -1.351 174.850 176.117 0.140 0.000 1.063 265 I CA -0.993 60.343 61.300 0.059 0.000 1.033 265 I CB 1.379 39.385 38.000 0.009 0.000 1.230 265 I HN 0.522 nan 8.210 nan 0.000 0.447 266 F N 3.251 123.179 119.950 -0.037 0.000 2.467 266 F HA 0.770 5.297 4.527 0.000 0.000 0.336 266 F C 0.433 176.206 175.800 -0.045 0.000 1.123 266 F CA -0.359 57.619 58.000 -0.036 0.000 0.964 266 F CB 1.234 40.221 39.000 -0.022 0.000 1.136 266 F HN 1.064 nan 8.300 nan 0.000 0.447 267 G N 4.355 112.785 108.800 -0.616 0.000 3.129 267 G HA2 0.452 4.412 3.960 0.000 0.000 0.385 267 G HA3 0.452 4.412 3.960 0.000 0.000 0.385 267 G C -1.059 173.660 174.900 -0.302 0.000 1.046 267 G CA -0.225 44.519 45.100 -0.593 0.000 0.933 267 G HN 1.508 nan 8.290 nan 0.000 0.424 268 A N 2.171 124.828 122.820 -0.272 0.000 2.569 268 A HA 1.010 5.330 4.320 0.000 0.000 0.290 268 A C -0.290 177.178 177.584 -0.194 0.000 1.136 268 A CA -0.121 51.797 52.037 -0.199 0.000 0.710 268 A CB 2.094 20.988 19.000 -0.176 0.000 1.303 268 A HN 1.417 nan 8.150 nan 0.000 0.413 269 Q N 0.040 119.748 119.800 -0.154 0.000 2.295 269 Q HA 0.677 5.017 4.340 0.000 0.000 0.268 269 Q C -1.831 174.099 176.000 -0.118 0.000 1.010 269 Q CA -0.276 55.450 55.803 -0.128 0.000 0.856 269 Q CB 1.855 30.526 28.738 -0.111 0.000 1.349 269 Q HN 0.808 nan 8.270 nan 0.000 0.412 270 M N 2.175 121.719 119.600 -0.093 0.000 2.591 270 M HA 0.632 5.112 4.480 0.000 0.000 0.306 270 M C -1.017 175.136 176.300 -0.246 0.000 1.190 270 M CA -0.714 54.480 55.300 -0.176 0.000 0.889 270 M CB 2.669 35.210 32.600 -0.099 0.000 1.728 270 M HN 0.414 nan 8.290 nan 0.000 0.458 271 R N 1.180 121.380 120.500 -0.500 0.000 2.599 271 R HA 0.764 5.104 4.340 0.000 0.000 0.295 271 R C -1.806 174.063 176.300 -0.718 0.000 0.963 271 R CA -0.536 55.325 56.100 -0.398 0.000 0.883 271 R CB 1.922 32.094 30.300 -0.213 0.000 1.171 271 R HN 0.468 nan 8.270 nan 0.000 0.450 272 F N -0.066 119.904 119.950 0.032 0.000 2.557 272 F HA 0.279 4.806 4.527 0.000 0.000 0.316 272 F C 0.415 176.223 175.800 0.012 0.000 1.141 272 F CA -0.803 57.216 58.000 0.031 0.000 0.922 272 F CB 2.319 41.306 39.000 -0.022 0.000 1.194 272 F HN 0.332 nan 8.300 nan 0.000 0.443 273 S N 3.073 118.881 115.700 0.180 0.000 2.545 273 S HA 0.491 4.962 4.470 0.000 0.000 0.275 273 S C 0.348 175.000 174.600 0.087 0.000 1.299 273 S CA -0.405 57.860 58.200 0.110 0.000 1.048 273 S CB 0.399 63.651 63.200 0.086 0.000 0.938 273 S HN 0.702 nan 8.310 nan 0.000 0.496 274 L N 4.307 125.573 121.223 0.071 0.000 2.857 274 L HA 0.330 4.670 4.340 0.000 0.000 0.249 274 L C 0.899 177.806 176.870 0.061 0.000 1.172 274 L CA -0.258 54.610 54.840 0.047 0.000 0.980 274 L CB 0.001 42.095 42.059 0.058 0.000 1.299 274 L HN 0.487 nan 8.230 nan 0.000 0.535 275 R N 1.177 121.718 120.500 0.068 0.000 2.590 275 R HA 0.058 4.398 4.340 0.000 0.000 0.274 275 R C 0.099 176.459 176.300 0.099 0.000 1.061 275 R CA 0.039 56.183 56.100 0.074 0.000 1.081 275 R CB -0.035 30.300 30.300 0.059 0.000 0.984 275 R HN 0.254 nan 8.270 nan 0.000 0.448 276 N N 2.231 120.993 118.700 0.103 0.000 2.714 276 N HA -0.264 4.476 4.740 0.000 0.000 0.253 276 N C -0.859 174.769 175.510 0.198 0.000 1.024 276 N CA 0.642 53.771 53.050 0.132 0.000 0.726 276 N CB -0.964 37.602 38.487 0.132 0.000 0.908 276 N HN 0.821 nan 8.380 nan 0.000 0.542 277 N N -2.303 116.498 118.700 0.168 0.000 2.936 277 N HA -0.212 4.528 4.740 0.000 0.000 0.236 277 N C -0.586 175.032 175.510 0.181 0.000 0.930 277 N CA 1.233 54.400 53.050 0.194 0.000 0.966 277 N CB -0.552 38.069 38.487 0.223 0.000 1.090 277 N HN 0.521 nan 8.380 nan 0.000 0.592 278 R N 0.407 120.968 120.500 0.100 0.000 2.537 278 R HA 0.320 4.660 4.340 0.000 0.000 0.280 278 R C -0.406 175.773 176.300 -0.202 0.000 1.058 278 R CA -0.098 55.918 56.100 -0.140 0.000 1.057 278 R CB 0.425 30.683 30.300 -0.072 0.000 0.973 278 R HN 0.124 nan 8.270 nan 0.000 0.438 279 L N 6.117 127.125 121.223 -0.358 0.000 2.372 279 L HA 0.371 4.711 4.340 0.000 0.000 0.273 279 L C -2.274 174.187 176.870 -0.683 0.000 0.989 279 L CA -2.149 52.426 54.840 -0.440 0.000 0.841 279 L CB 1.939 43.701 42.059 -0.495 0.000 1.225 279 L HN 0.462 nan 8.230 nan 0.000 0.414 280 P HA 0.097 nan 4.420 nan 0.000 0.226 280 P C -0.544 176.104 177.300 -1.088 0.000 1.783 280 P CA 0.116 62.232 63.100 -1.640 0.000 0.980 280 P CB -0.250 30.733 31.700 -1.196 0.000 1.967 281 L N 2.231 123.006 121.223 -0.746 0.000 2.278 281 L HA 0.226 4.566 4.340 0.000 0.000 0.287 281 L C 1.050 177.954 176.870 0.056 0.000 1.072 281 L CA -0.757 53.849 54.840 -0.389 0.000 0.819 281 L CB 0.577 42.233 42.059 -0.672 0.000 1.176 281 L HN 0.059 nan 8.230 nan 0.000 0.435 282 L N 3.158 124.440 121.223 0.098 0.000 2.506 282 L HA -0.016 4.324 4.340 0.000 0.000 0.281 282 L C 1.559 178.649 176.870 0.367 0.000 1.228 282 L CA 0.215 55.216 54.840 0.269 0.000 0.850 282 L CB 0.757 42.814 42.059 -0.003 0.000 1.110 282 L HN 0.721 nan 8.230 nan 0.000 0.496 283 T N -4.505 110.241 114.554 0.320 0.000 3.023 283 T HA -0.070 4.280 4.350 0.000 0.000 0.249 283 T C 1.549 176.428 174.700 0.297 0.000 1.050 283 T CA 0.507 62.766 62.100 0.264 0.000 1.088 283 T CB -0.128 68.860 68.868 0.201 0.000 0.946 283 T HN 0.749 nan 8.240 nan 0.000 0.480 284 T N -0.830 113.866 114.554 0.237 0.000 3.035 284 T HA 0.167 4.517 4.350 0.000 0.000 0.268 284 T C 0.550 175.329 174.700 0.131 0.000 1.109 284 T CA 0.344 62.527 62.100 0.139 0.000 1.119 284 T CB -0.200 68.695 68.868 0.046 0.000 0.900 284 T HN 0.511 nan 8.240 nan 0.000 0.503 285 K N 0.769 121.265 120.400 0.161 0.000 2.565 285 K HA 0.373 4.694 4.320 0.000 0.000 0.251 285 K C -0.907 175.799 176.600 0.177 0.000 0.956 285 K CA -0.874 55.502 56.287 0.149 0.000 0.809 285 K CB 1.960 34.544 32.500 0.140 0.000 1.267 285 K HN 0.135 nan 8.250 nan 0.000 0.438 286 R N 3.203 123.802 120.500 0.164 0.000 2.502 286 R HA 0.098 4.438 4.340 0.000 0.000 0.292 286 R C -0.876 175.596 176.300 0.285 0.000 0.998 286 R CA -0.134 56.101 56.100 0.226 0.000 1.056 286 R CB 0.389 30.781 30.300 0.154 0.000 0.939 286 R HN 0.272 nan 8.270 nan 0.000 0.411 287 V N 6.136 126.272 119.914 0.371 0.000 2.567 287 V HA 0.123 4.243 4.120 0.000 0.000 0.289 287 V C 0.149 176.471 176.094 0.380 0.000 1.049 287 V CA -0.572 61.911 62.300 0.306 0.000 0.969 287 V CB 1.082 33.005 31.823 0.166 0.000 0.995 287 V HN 0.652 nan 8.190 nan 0.000 0.471 288 F N 5.420 125.488 119.950 0.197 0.000 2.679 288 F HA 0.100 4.627 4.527 0.000 0.000 0.351 288 F C 0.981 176.816 175.800 0.058 0.000 1.279 288 F CA -1.003 57.101 58.000 0.173 0.000 1.227 288 F CB -0.378 38.764 39.000 0.237 0.000 1.623 288 F HN 0.796 nan 8.300 nan 0.000 0.666 289 W N 5.161 126.389 121.300 -0.120 0.000 2.335 289 W HA -0.252 4.408 4.660 0.000 0.000 0.311 289 W C 1.898 178.136 176.519 -0.468 0.000 1.213 289 W CA 1.709 58.857 57.345 -0.330 0.000 1.274 289 W CB -0.209 29.094 29.460 -0.261 0.000 1.148 289 W HN 0.504 nan 8.180 nan 0.000 0.498 290 R N 0.417 120.545 120.500 -0.619 0.000 2.091 290 R HA -0.144 4.196 4.340 0.000 0.000 0.238 290 R C 2.547 178.238 176.300 -1.015 0.000 1.136 290 R CA 2.141 57.800 56.100 -0.735 0.000 0.959 290 R CB -1.000 29.104 30.300 -0.326 0.000 0.856 290 R HN 0.271 nan 8.270 nan 0.000 0.437 291 G N -0.243 107.565 108.800 -1.653 0.000 2.404 291 G HA2 -0.197 3.763 3.960 0.000 0.000 0.215 291 G HA3 -0.197 3.763 3.960 0.000 0.000 0.215 291 G C 1.411 175.955 174.900 -0.593 0.000 1.174 291 G CA 0.738 45.195 45.100 -1.072 0.000 0.780 291 G HN 0.207 nan 8.290 nan 0.000 0.537 292 V N 0.285 119.650 119.914 -0.915 0.000 2.252 292 V HA -0.273 3.847 4.120 0.000 0.000 0.249 292 V C 2.974 178.545 176.094 -0.873 0.000 1.056 292 V CA 1.985 63.615 62.300 -1.116 0.000 1.022 292 V CB -0.785 30.293 31.823 -1.240 0.000 0.641 292 V HN 0.580 nan 8.190 nan 0.000 0.445 293 C N -0.015 118.581 119.300 -1.173 0.000 2.453 293 C HA -0.113 4.347 4.460 0.000 0.000 0.277 293 C C 2.822 177.507 174.990 -0.509 0.000 1.262 293 C CA 1.093 59.536 59.018 -0.958 0.000 1.718 293 C CB -1.051 25.980 27.740 -1.182 0.000 2.031 293 C HN 0.611 nan 8.230 nan 0.000 0.480 294 E N 0.394 120.310 120.200 -0.472 0.000 2.110 294 E HA -0.219 4.131 4.350 0.000 0.000 0.193 294 E C 2.089 178.535 176.600 -0.257 0.000 0.988 294 E CA 1.298 57.519 56.400 -0.299 0.000 0.804 294 E CB -0.592 28.931 29.700 -0.296 0.000 0.745 294 E HN 0.772 nan 8.360 nan 0.000 0.458 295 E N 0.538 120.538 120.200 -0.333 0.000 2.072 295 E HA -0.145 4.205 4.350 0.000 0.000 0.190 295 E C 2.289 178.585 176.600 -0.507 0.000 0.982 295 E CA 0.366 56.522 56.400 -0.407 0.000 0.803 295 E CB 0.011 29.514 29.700 -0.329 0.000 0.755 295 E HN 0.088 nan 8.360 nan 0.000 0.453 296 L N 0.872 121.910 121.223 -0.308 0.000 2.017 296 L HA -0.164 4.176 4.340 0.000 0.000 0.208 296 L C 2.272 179.170 176.870 0.046 0.000 1.073 296 L CA 1.300 56.108 54.840 -0.055 0.000 0.745 296 L CB -0.221 41.824 42.059 -0.023 0.000 0.894 296 L HN 0.171 nan 8.230 nan 0.000 0.432 297 L N -1.876 119.346 121.223 -0.003 0.000 2.042 297 L HA -0.258 4.082 4.340 0.000 0.000 0.210 297 L C 2.392 179.328 176.870 0.110 0.000 1.076 297 L CA 1.800 56.683 54.840 0.073 0.000 0.749 297 L CB -0.894 41.201 42.059 0.059 0.000 0.893 297 L HN 0.508 nan 8.230 nan 0.000 0.432 298 W N 0.670 121.876 121.300 -0.157 0.000 2.335 298 W HA -0.253 4.407 4.660 0.000 0.000 0.311 298 W C 2.323 178.778 176.519 -0.108 0.000 1.213 298 W CA 1.442 58.686 57.345 -0.168 0.000 1.274 298 W CB -0.290 28.997 29.460 -0.288 0.000 1.148 298 W HN -0.024 nan 8.180 nan 0.000 0.498 299 F N 0.312 120.247 119.950 -0.025 0.000 2.069 299 F HA -0.241 4.286 4.527 0.000 0.000 0.298 299 F C 2.408 178.024 175.800 -0.306 0.000 1.113 299 F CA 1.522 59.278 58.000 -0.407 0.000 1.214 299 F CB -1.632 37.035 39.000 -0.555 0.000 0.978 299 F HN -0.146 nan 8.300 nan 0.000 0.474 300 L N -0.600 120.732 121.223 0.182 0.000 2.127 300 L HA -0.211 4.129 4.340 0.000 0.000 0.211 300 L C 2.390 179.307 176.870 0.079 0.000 1.089 300 L CA 1.222 56.182 54.840 0.201 0.000 0.757 300 L CB -0.420 41.756 42.059 0.195 0.000 0.899 300 L HN 0.077 nan 8.230 nan 0.000 0.434 301 R N -0.265 120.246 120.500 0.018 0.000 2.323 301 R HA 0.017 4.357 4.340 0.000 0.000 0.198 301 R C 1.162 177.424 176.300 -0.063 0.000 0.988 301 R CA 0.571 56.665 56.100 -0.010 0.000 1.041 301 R CB -0.038 30.262 30.300 0.000 0.000 0.926 301 R HN 0.470 nan 8.270 nan 0.000 0.476 302 G N 1.663 110.386 108.800 -0.129 0.000 2.176 302 G HA2 -0.309 3.651 3.960 0.000 0.000 0.252 302 G HA3 -0.309 3.651 3.960 0.000 0.000 0.252 302 G C -0.220 174.577 174.900 -0.171 0.000 1.024 302 G CA 0.234 45.252 45.100 -0.136 0.000 0.755 302 G HN 0.340 nan 8.290 nan 0.000 0.507 303 E N -0.256 119.671 120.200 -0.455 0.000 2.366 303 E HA 0.611 4.961 4.350 0.000 0.000 0.266 303 E C 1.596 177.682 176.600 -0.857 0.000 1.051 303 E CA 0.656 56.670 56.400 -0.644 0.000 0.884 303 E CB 0.663 29.729 29.700 -1.057 0.000 1.006 303 E HN 0.480 nan 8.360 nan 0.000 0.417 304 T N 0.128 114.453 114.554 -0.383 0.000 3.041 304 T HA 0.081 4.431 4.350 0.000 0.000 0.276 304 T C -0.219 174.560 174.700 0.131 0.000 0.948 304 T CA -0.323 61.638 62.100 -0.231 0.000 0.885 304 T CB -0.211 68.572 68.868 -0.141 0.000 1.175 304 T HN 0.324 nan 8.240 nan 0.000 0.529 305 Y N 2.878 123.218 120.300 0.066 0.000 2.452 305 Y HA 0.715 5.265 4.550 0.000 0.000 0.348 305 Y C 1.312 177.347 175.900 0.226 0.000 0.985 305 Y CA -1.942 56.146 58.100 -0.020 0.000 1.214 305 Y CB 0.758 39.055 38.460 -0.270 0.000 1.136 305 Y HN 0.236 nan 8.280 nan 0.000 0.523 306 A N 5.244 128.042 122.820 -0.037 0.000 2.119 306 A HA -0.082 4.238 4.320 0.000 0.000 0.217 306 A C 2.215 179.532 177.584 -0.445 0.000 1.153 306 A CA 0.975 52.841 52.037 -0.286 0.000 0.692 306 A CB -0.356 18.515 19.000 -0.214 0.000 0.799 306 A HN 0.798 nan 8.150 nan 0.000 0.458 307 K N 0.322 120.284 120.400 -0.730 0.000 2.209 307 K HA -0.127 4.193 4.320 0.000 0.000 0.204 307 K C 1.657 178.010 176.600 -0.411 0.000 1.048 307 K CA 1.308 57.197 56.287 -0.665 0.000 0.940 307 K CB -0.118 31.765 32.500 -1.027 0.000 0.729 307 K HN 0.466 nan 8.250 nan 0.000 0.451 308 K N 0.325 120.543 120.400 -0.304 0.000 2.147 308 K HA -0.108 4.212 4.320 0.000 0.000 0.205 308 K C 1.986 178.463 176.600 -0.204 0.000 1.049 308 K CA 1.038 57.269 56.287 -0.094 0.000 0.936 308 K CB 0.002 32.605 32.500 0.171 0.000 0.722 308 K HN 0.184 nan 8.250 nan 0.000 0.446 309 L N 0.003 120.981 121.223 -0.408 0.000 2.095 309 L HA -0.092 4.248 4.340 0.000 0.000 0.204 309 L C 2.453 179.105 176.870 -0.364 0.000 1.080 309 L CA 0.676 55.244 54.840 -0.453 0.000 0.759 309 L CB -0.379 41.281 42.059 -0.665 0.000 0.914 309 L HN 0.040 nan 8.230 nan 0.000 0.439 310 S N 0.007 115.490 115.700 -0.362 0.000 2.365 310 S HA -0.214 4.256 4.470 0.000 0.000 0.225 310 S C 1.483 175.909 174.600 -0.291 0.000 1.039 310 S CA 1.638 59.611 58.200 -0.377 0.000 1.033 310 S CB -0.313 62.745 63.200 -0.237 0.000 0.887 310 S HN 0.428 nan 8.310 nan 0.000 0.447 311 D N 0.774 121.058 120.400 -0.192 0.000 2.354 311 D HA -0.044 4.596 4.640 0.000 0.000 0.216 311 D C 1.176 177.418 176.300 -0.096 0.000 0.970 311 D CA 0.934 54.869 54.000 -0.108 0.000 0.905 311 D CB -0.068 40.690 40.800 -0.071 0.000 0.903 311 D HN 0.420 nan 8.370 nan 0.000 0.508 312 K N -0.806 119.508 120.400 -0.143 0.000 2.399 312 K HA 0.281 4.601 4.320 0.000 0.000 0.204 312 K C 0.931 177.472 176.600 -0.100 0.000 1.023 312 K CA 0.179 56.403 56.287 -0.104 0.000 1.127 312 K CB 1.163 33.595 32.500 -0.113 0.000 0.856 312 K HN 0.015 nan 8.250 nan 0.000 0.514 313 G N 1.201 109.902 108.800 -0.165 0.000 2.153 313 G HA2 -0.236 3.724 3.960 0.000 0.000 0.252 313 G HA3 -0.236 3.724 3.960 0.000 0.000 0.252 313 G C 0.020 174.835 174.900 -0.141 0.000 0.994 313 G CA 0.086 45.120 45.100 -0.110 0.000 0.698 313 G HN 0.153 nan 8.290 nan 0.000 0.521 314 V N 0.695 120.441 119.914 -0.280 0.000 2.304 314 V HA 0.441 4.561 4.120 0.000 0.000 0.269 314 V C 0.703 176.635 176.094 -0.270 0.000 1.036 314 V CA -0.403 61.833 62.300 -0.108 0.000 0.840 314 V CB 0.855 32.598 31.823 -0.133 0.000 1.036 314 V HN 0.420 nan 8.190 nan 0.000 0.466 315 H N 3.862 122.945 119.070 0.023 0.000 2.505 315 H HA 0.240 4.796 4.556 0.000 0.000 0.289 315 H C 1.841 177.127 175.328 -0.070 0.000 1.052 315 H CA 0.000 56.026 56.048 -0.038 0.000 1.156 315 H CB 0.241 29.974 29.762 -0.048 0.000 1.507 315 H HN 0.776 nan 8.280 nan 0.000 0.548 316 I N -3.005 117.555 120.570 -0.017 0.000 2.614 316 I HA -0.118 4.052 4.170 0.000 0.000 0.258 316 I C 0.935 176.856 176.117 -0.328 0.000 1.189 316 I CA 1.253 62.437 61.300 -0.193 0.000 1.462 316 I CB -0.073 37.744 38.000 -0.305 0.000 1.092 316 I HN 0.145 nan 8.210 nan 0.000 0.442 317 W N 1.418 122.608 121.300 -0.182 0.000 3.220 317 W HA 0.182 4.842 4.660 0.000 0.000 0.328 317 W C 1.569 178.004 176.519 -0.139 0.000 1.205 317 W CA -0.331 56.910 57.345 -0.173 0.000 1.773 317 W CB 0.098 29.416 29.460 -0.237 0.000 1.086 317 W HN 0.050 nan 8.180 nan 0.000 0.622 318 D N 0.619 121.058 120.400 0.064 0.000 2.104 318 D HA -0.215 4.425 4.640 0.000 0.000 0.194 318 D C 1.545 177.853 176.300 0.012 0.000 0.994 318 D CA 1.723 55.752 54.000 0.048 0.000 0.830 318 D CB -0.264 40.577 40.800 0.069 0.000 0.959 318 D HN 0.050 nan 8.370 nan 0.000 0.452 319 D N -0.192 120.174 120.400 -0.056 0.000 2.269 319 D HA -0.047 4.593 4.640 0.000 0.000 0.208 319 D C 1.147 177.289 176.300 -0.264 0.000 0.963 319 D CA 0.532 54.468 54.000 -0.107 0.000 0.864 319 D CB -0.173 40.549 40.800 -0.130 0.000 0.936 319 D HN 0.174 nan 8.370 nan 0.000 0.505 320 N N -0.197 118.316 118.700 -0.311 0.000 2.336 320 N HA 0.051 4.791 4.740 0.000 0.000 0.189 320 N C 1.393 176.916 175.510 0.021 0.000 1.113 320 N CA 0.236 52.955 53.050 -0.552 0.000 0.858 320 N CB 0.982 39.250 38.487 -0.365 0.000 0.970 320 N HN 0.157 nan 8.380 nan 0.000 0.471 321 G N -0.265 108.609 108.800 0.123 0.000 3.274 321 G HA2 0.011 3.971 3.960 0.000 0.000 0.250 321 G HA3 0.011 3.971 3.960 0.000 0.000 0.250 321 G C 0.304 175.318 174.900 0.191 0.000 1.024 321 G CA -0.165 45.055 45.100 0.199 0.000 0.840 321 G HN 0.234 nan 8.290 nan 0.000 0.522 322 S N 0.013 115.820 115.700 0.178 0.000 2.579 322 S HA 0.250 4.720 4.470 0.000 0.000 0.275 322 S C 1.458 176.178 174.600 0.199 0.000 1.345 322 S CA -0.220 58.079 58.200 0.164 0.000 1.031 322 S CB 2.098 65.379 63.200 0.136 0.000 0.892 322 S HN 0.230 nan 8.310 nan 0.000 0.529 323 R N 2.033 122.625 120.500 0.154 0.000 2.113 323 R HA -0.175 4.165 4.340 0.000 0.000 0.244 323 R C 2.282 178.661 176.300 0.131 0.000 1.142 323 R CA 2.299 58.482 56.100 0.139 0.000 0.953 323 R CB -1.387 28.975 30.300 0.104 0.000 0.860 323 R HN 0.865 nan 8.270 nan 0.000 0.438 324 A N -0.574 122.323 122.820 0.129 0.000 1.902 324 A HA -0.147 4.173 4.320 0.000 0.000 0.217 324 A C 2.225 179.888 177.584 0.131 0.000 1.181 324 A CA 1.511 53.615 52.037 0.111 0.000 0.623 324 A CB -0.869 18.194 19.000 0.105 0.000 0.818 324 A HN 0.527 nan 8.150 nan 0.000 0.443 325 F N 0.286 120.276 119.950 0.066 0.000 2.163 325 F HA -0.037 4.490 4.527 0.000 0.000 0.297 325 F C 1.912 177.761 175.800 0.082 0.000 1.094 325 F CA 1.423 59.468 58.000 0.074 0.000 1.290 325 F CB -0.143 38.911 39.000 0.090 0.000 1.017 325 F HN 0.125 nan 8.300 nan 0.000 0.483 326 L N -0.123 121.244 121.223 0.240 0.000 2.046 326 L HA -0.231 4.109 4.340 0.000 0.000 0.208 326 L C 2.081 178.952 176.870 0.001 0.000 1.077 326 L CA 1.396 56.332 54.840 0.160 0.000 0.747 326 L CB -0.836 41.373 42.059 0.249 0.000 0.896 326 L HN 0.048 nan 8.230 nan 0.000 0.432 327 D N -0.369 120.035 120.400 0.008 0.000 2.149 327 D HA -0.175 4.466 4.640 0.000 0.000 0.198 327 D C 2.372 178.616 176.300 -0.093 0.000 0.990 327 D CA 1.705 55.685 54.000 -0.033 0.000 0.839 327 D CB -0.143 40.656 40.800 -0.002 0.000 0.948 327 D HN 0.333 nan 8.370 nan 0.000 0.460 328 S N -0.173 115.435 115.700 -0.154 0.000 2.515 328 S HA -0.047 4.423 4.470 0.000 0.000 0.231 328 S C 1.515 175.949 174.600 -0.276 0.000 0.987 328 S CA 0.366 58.434 58.200 -0.221 0.000 0.936 328 S CB 0.092 63.126 63.200 -0.278 0.000 0.766 328 S HN 0.064 nan 8.310 nan 0.000 0.528 329 R N 0.378 120.707 120.500 -0.285 0.000 2.432 329 R HA 0.323 4.664 4.340 0.000 0.000 0.260 329 R C 1.480 177.695 176.300 -0.141 0.000 0.935 329 R CA 0.510 56.481 56.100 -0.215 0.000 1.080 329 R CB -0.339 29.839 30.300 -0.203 0.000 1.155 329 R HN 0.582 nan 8.270 nan 0.000 0.531 330 G N 1.458 110.179 108.800 -0.131 0.000 2.143 330 G HA2 -0.251 3.709 3.960 0.000 0.000 0.249 330 G HA3 -0.251 3.709 3.960 0.000 0.000 0.249 330 G C 0.210 175.015 174.900 -0.158 0.000 0.981 330 G CA -0.063 44.965 45.100 -0.119 0.000 0.665 330 G HN 0.293 nan 8.290 nan 0.000 0.528 331 L N 2.199 123.314 121.223 -0.180 0.000 2.719 331 L HA 0.284 4.624 4.340 0.000 0.000 0.236 331 L C 2.089 178.832 176.870 -0.213 0.000 1.285 331 L CA 0.311 54.950 54.840 -0.335 0.000 1.222 331 L CB -0.042 41.811 42.059 -0.343 0.000 1.493 331 L HN 0.352 nan 8.230 nan 0.000 0.415 332 T N -3.833 110.636 114.554 -0.143 0.000 3.023 332 T HA -0.108 4.242 4.350 0.000 0.000 0.266 332 T C 1.510 176.212 174.700 0.004 0.000 1.093 332 T CA 0.748 62.822 62.100 -0.044 0.000 1.129 332 T CB 0.026 68.873 68.868 -0.036 0.000 0.899 332 T HN 0.540 nan 8.240 nan 0.000 0.491 333 E N 0.109 120.291 120.200 -0.029 0.000 2.442 333 E HA -0.036 4.314 4.350 0.000 0.000 0.195 333 E C -0.419 176.371 176.600 0.317 0.000 1.030 333 E CA -0.136 56.327 56.400 0.105 0.000 0.869 333 E CB -0.398 29.355 29.700 0.088 0.000 0.857 333 E HN 0.474 nan 8.360 nan 0.000 0.505 334 Y N 2.600 123.008 120.300 0.181 0.000 2.442 334 Y HA 0.173 4.723 4.550 0.000 0.000 0.330 334 Y C 0.979 176.999 175.900 0.200 0.000 1.129 334 Y CA -1.535 56.707 58.100 0.238 0.000 1.365 334 Y CB 0.147 38.729 38.460 0.204 0.000 1.233 334 Y HN 0.068 nan 8.280 nan 0.000 0.529 335 E N 2.243 122.664 120.200 0.369 0.000 2.415 335 E HA -0.056 4.294 4.350 0.000 0.000 0.262 335 E C -0.268 176.504 176.600 0.287 0.000 1.038 335 E CA -0.336 56.218 56.400 0.258 0.000 0.921 335 E CB 0.533 30.360 29.700 0.212 0.000 0.950 335 E HN 0.706 nan 8.360 nan 0.000 0.438 336 E N 3.153 123.494 120.200 0.236 0.000 2.502 336 E HA -0.157 4.193 4.350 0.000 0.000 0.261 336 E C 0.172 176.917 176.600 0.241 0.000 0.974 336 E CA 0.291 56.820 56.400 0.215 0.000 0.936 336 E CB 0.261 30.056 29.700 0.158 0.000 0.926 336 E HN 0.567 nan 8.360 nan 0.000 0.459 337 M N 0.757 120.467 119.600 0.182 0.000 2.949 337 M HA -0.228 4.252 4.480 0.000 0.000 0.194 337 M C -0.342 176.062 176.300 0.174 0.000 0.618 337 M CA 0.790 56.146 55.300 0.093 0.000 0.742 337 M CB -2.226 30.281 32.600 -0.154 0.000 2.662 337 M HN 0.573 nan 8.290 nan 0.000 0.291 338 D N 1.862 122.416 120.400 0.256 0.000 2.338 338 D HA 0.430 5.070 4.640 0.000 0.000 0.255 338 D C 0.949 177.250 176.300 0.001 0.000 1.237 338 D CA 0.054 54.142 54.000 0.147 0.000 0.883 338 D CB 0.473 41.363 40.800 0.150 0.000 1.087 338 D HN 0.451 nan 8.370 nan 0.000 0.485 339 L N 3.075 124.258 121.223 -0.067 0.000 2.592 339 L HA 0.272 4.612 4.340 0.000 0.000 0.227 339 L C 1.510 178.244 176.870 -0.228 0.000 1.127 339 L CA 0.175 54.980 54.840 -0.058 0.000 0.884 339 L CB -0.561 41.441 42.059 -0.096 0.000 1.065 339 L HN 0.646 nan 8.230 nan 0.000 0.457 340 G N 1.234 109.640 108.800 -0.657 0.000 2.725 340 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 340 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 340 G C -2.486 171.597 174.900 -1.362 0.000 1.357 340 G CA -0.520 43.926 45.100 -1.089 0.000 0.866 340 G HN 0.037 nan 8.290 nan 0.000 0.548 341 P HA 0.302 nan 4.420 nan 0.000 0.232 341 P C 0.763 177.739 177.300 -0.540 0.000 1.738 341 P CA 0.570 62.875 63.100 -1.325 0.000 0.948 341 P CB -0.605 30.427 31.700 -1.113 0.000 1.943 342 V N -2.541 117.112 119.914 -0.435 0.000 2.953 342 V HA 0.173 4.293 4.120 0.000 0.000 0.304 342 V C 1.264 177.257 176.094 -0.169 0.000 1.073 342 V CA -0.492 61.651 62.300 -0.262 0.000 1.064 342 V CB -0.434 31.296 31.823 -0.156 0.000 1.047 342 V HN 0.205 nan 8.190 nan 0.000 0.478 343 Y N 2.841 123.030 120.300 -0.185 0.000 2.573 343 Y HA -0.421 4.129 4.550 0.000 0.000 0.468 343 Y C 2.440 177.874 175.900 -0.778 0.000 0.973 343 Y CA 3.093 60.926 58.100 -0.446 0.000 3.076 343 Y CB -2.120 35.940 38.460 -0.668 0.000 0.974 343 Y HN 0.833 nan 8.280 nan 0.000 0.605 344 G N -1.518 106.872 108.800 -0.682 0.000 2.442 344 G HA2 -0.290 3.670 3.960 0.000 0.000 0.219 344 G HA3 -0.290 3.670 3.960 0.000 0.000 0.219 344 G C 1.439 176.184 174.900 -0.259 0.000 1.141 344 G CA 1.040 45.714 45.100 -0.710 0.000 0.763 344 G HN 0.497 nan 8.290 nan 0.000 0.554 345 F N 1.226 121.004 119.950 -0.287 0.000 2.126 345 F HA -0.146 4.382 4.527 0.000 0.000 0.299 345 F C 2.868 178.655 175.800 -0.021 0.000 1.096 345 F CA 1.953 59.875 58.000 -0.131 0.000 1.255 345 F CB 0.119 38.971 39.000 -0.246 0.000 0.997 345 F HN 0.100 nan 8.300 nan 0.000 0.479 346 Q N -0.741 119.156 119.800 0.161 0.000 2.172 346 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 346 Q C 2.060 178.308 176.000 0.414 0.000 0.964 346 Q CA 1.270 57.231 55.803 0.263 0.000 0.855 346 Q CB -0.838 28.095 28.738 0.326 0.000 0.918 346 Q HN 0.535 nan 8.270 nan 0.000 0.444 347 W N 1.319 122.659 121.300 0.067 0.000 2.358 347 W HA -0.089 4.572 4.660 0.000 0.000 0.303 347 W C 1.986 178.419 176.519 -0.143 0.000 1.208 347 W CA 0.693 58.014 57.345 -0.040 0.000 1.274 347 W CB -0.371 28.967 29.460 -0.204 0.000 1.138 347 W HN 0.141 nan 8.180 nan 0.000 0.515 348 R N -1.569 118.899 120.500 -0.054 0.000 2.237 348 R HA 0.069 4.410 4.340 0.000 0.000 0.195 348 R C 0.263 176.164 176.300 -0.666 0.000 0.956 348 R CA 0.768 56.627 56.100 -0.402 0.000 1.029 348 R CB -0.587 29.344 30.300 -0.615 0.000 0.972 348 R HN 0.275 nan 8.270 nan 0.000 0.493 349 H N -0.898 118.019 119.070 -0.255 0.000 2.779 349 H HA 0.149 4.705 4.556 0.000 0.000 0.230 349 H C -0.829 174.358 175.328 -0.234 0.000 1.365 349 H CA -0.974 54.831 56.048 -0.404 0.000 1.086 349 H CB -0.461 28.676 29.762 -1.042 0.000 2.038 349 H HN -0.065 nan 8.280 nan 0.000 0.558 350 F N 2.017 121.951 119.950 -0.027 0.000 2.590 350 F HA 0.277 4.805 4.527 0.000 0.000 0.389 350 F C 1.465 177.314 175.800 0.082 0.000 1.049 350 F CA 1.931 59.971 58.000 0.066 0.000 1.199 350 F CB 0.408 39.467 39.000 0.098 0.000 1.058 350 F HN 0.603 nan 8.300 nan 0.000 0.556 351 G N 3.499 112.086 108.800 -0.355 0.000 2.195 351 G HA2 -0.157 3.804 3.960 0.000 0.000 0.246 351 G HA3 -0.157 3.804 3.960 0.000 0.000 0.246 351 G C 0.262 175.179 174.900 0.028 0.000 0.984 351 G CA -0.089 44.917 45.100 -0.158 0.000 0.633 351 G HN 1.302 nan 8.290 nan 0.000 0.525 352 A N 0.363 123.243 122.820 0.101 0.000 2.462 352 A HA 0.765 5.086 4.320 0.000 0.000 0.243 352 A C 1.011 178.751 177.584 0.260 0.000 1.076 352 A CA 1.018 53.166 52.037 0.184 0.000 0.773 352 A CB 0.414 19.511 19.000 0.162 0.000 1.010 352 A HN 2.105 nan 8.150 nan 0.000 0.493 353 A N 1.474 124.417 122.820 0.206 0.000 2.450 353 A HA 0.457 4.777 4.320 0.000 0.000 0.255 353 A C -0.445 177.291 177.584 0.253 0.000 1.096 353 A CA 0.036 52.173 52.037 0.167 0.000 0.778 353 A CB -0.228 18.829 19.000 0.096 0.000 1.031 353 A HN 0.905 nan 8.150 nan 0.000 0.494 354 Y N 2.540 122.832 120.300 -0.013 0.000 2.330 354 Y HA 0.398 4.949 4.550 0.000 0.000 0.336 354 Y C 1.414 177.275 175.900 -0.065 0.000 1.036 354 Y CA 0.565 58.588 58.100 -0.128 0.000 1.125 354 Y CB 1.625 39.791 38.460 -0.489 0.000 1.194 354 Y HN 0.862 nan 8.280 nan 0.000 0.469 355 T N 1.336 115.623 114.554 -0.445 0.000 3.391 355 T HA 0.312 4.662 4.350 0.000 0.000 0.233 355 T C -0.072 174.096 174.700 -0.886 0.000 0.960 355 T CA 0.200 62.012 62.100 -0.481 0.000 1.342 355 T CB 0.054 68.749 68.868 -0.288 0.000 1.124 355 T HN 0.561 nan 8.240 nan 0.000 0.396 356 H N 0.119 118.874 119.070 -0.525 0.000 2.946 356 H HA 0.365 4.921 4.556 0.000 0.000 0.365 356 H C 1.022 176.051 175.328 -0.497 0.000 1.197 356 H CA 0.034 55.820 56.048 -0.436 0.000 1.131 356 H CB 1.512 31.122 29.762 -0.252 0.000 1.849 356 H HN 0.633 nan 8.280 nan 0.000 0.555 357 H N 0.126 119.133 119.070 -0.105 0.000 2.387 357 H HA -0.137 4.419 4.556 0.000 0.000 0.299 357 H C 0.703 176.024 175.328 -0.012 0.000 1.099 357 H CA 1.975 58.017 56.048 -0.009 0.000 1.315 357 H CB 0.032 29.771 29.762 -0.038 0.000 1.380 357 H HN 0.509 nan 8.280 nan 0.000 0.513 358 D N 0.881 120.829 120.400 -0.752 0.000 2.328 358 D HA 0.179 4.819 4.640 0.000 0.000 0.226 358 D C 0.834 176.949 176.300 -0.309 0.000 1.066 358 D CA 0.315 54.013 54.000 -0.503 0.000 0.861 358 D CB -0.404 40.002 40.800 -0.656 0.000 0.912 358 D HN 0.631 nan 8.370 nan 0.000 0.521 359 A N 0.416 123.039 122.820 -0.329 0.000 2.296 359 A HA 0.340 4.660 4.320 0.000 0.000 0.264 359 A C 0.042 177.273 177.584 -0.588 0.000 1.097 359 A CA -0.587 51.156 52.037 -0.489 0.000 0.811 359 A CB -0.012 18.584 19.000 -0.673 0.000 1.072 359 A HN 0.242 nan 8.150 nan 0.000 0.495 360 N N -0.828 117.517 118.700 -0.592 0.000 2.414 360 N HA 0.406 5.146 4.740 0.000 0.000 0.256 360 N C -0.846 174.283 175.510 -0.636 0.000 1.029 360 N CA -0.135 52.635 53.050 -0.466 0.000 0.948 360 N CB 0.238 38.549 38.487 -0.293 0.000 1.102 360 N HN 0.527 nan 8.380 nan 0.000 0.496 361 Y N 0.494 120.615 120.300 -0.297 0.000 2.507 361 Y HA 0.254 4.804 4.550 0.000 0.000 0.254 361 Y C -0.114 175.476 175.900 -0.516 0.000 1.171 361 Y CA -0.629 57.190 58.100 -0.468 0.000 1.238 361 Y CB 0.115 38.132 38.460 -0.739 0.000 1.148 361 Y HN 0.466 nan 8.280 nan 0.000 0.525 362 D N 0.932 121.107 120.400 -0.374 0.000 2.581 362 D HA 0.139 4.780 4.640 0.000 0.000 0.238 362 D C 1.469 177.346 176.300 -0.704 0.000 1.145 362 D CA 1.824 55.363 54.000 -0.769 0.000 0.866 362 D CB 0.653 40.791 40.800 -1.102 0.000 1.151 362 D HN 0.579 nan 8.370 nan 0.000 0.500 363 G N 2.709 111.191 108.800 -0.531 0.000 2.184 363 G HA2 -0.326 3.634 3.960 0.000 0.000 0.264 363 G HA3 -0.326 3.634 3.960 0.000 0.000 0.264 363 G C 0.332 175.262 174.900 0.049 0.000 0.975 363 G CA 0.059 45.137 45.100 -0.036 0.000 0.642 363 G HN 0.559 nan 8.290 nan 0.000 0.536 364 Q N 0.036 119.856 119.800 0.032 0.000 2.243 364 Q HA 0.516 4.856 4.340 0.000 0.000 0.252 364 Q C 0.941 177.017 176.000 0.127 0.000 0.909 364 Q CA 0.362 56.204 55.803 0.065 0.000 0.922 364 Q CB 1.456 30.216 28.738 0.036 0.000 1.215 364 Q HN 1.526 nan 8.270 nan 0.000 0.427 365 G N 0.440 109.307 108.800 0.113 0.000 2.698 365 G HA2 -0.242 3.718 3.960 0.000 0.000 0.233 365 G HA3 -0.242 3.718 3.960 0.000 0.000 0.233 365 G C -0.767 174.217 174.900 0.140 0.000 1.352 365 G CA -0.630 44.549 45.100 0.133 0.000 0.879 365 G HN 0.527 nan 8.290 nan 0.000 0.567 366 V N 1.069 121.089 119.914 0.177 0.000 2.383 366 V HA 0.413 4.534 4.120 0.000 0.000 0.275 366 V C 0.153 176.298 176.094 0.084 0.000 1.036 366 V CA -0.157 62.225 62.300 0.137 0.000 0.889 366 V CB 1.630 33.540 31.823 0.145 0.000 0.985 366 V HN 0.734 nan 8.190 nan 0.000 0.459 367 D N 4.061 124.484 120.400 0.038 0.000 2.435 367 D HA 0.151 4.791 4.640 0.000 0.000 0.230 367 D C 1.052 177.359 176.300 0.011 0.000 1.215 367 D CA 0.199 54.190 54.000 -0.015 0.000 0.947 367 D CB 1.115 41.908 40.800 -0.011 0.000 1.048 367 D HN 0.607 nan 8.370 nan 0.000 0.512 368 Q N 2.653 122.468 119.800 0.025 0.000 2.083 368 Q HA -0.087 4.253 4.340 0.000 0.000 0.198 368 Q C 1.791 177.792 176.000 0.003 0.000 0.969 368 Q CA 0.655 56.484 55.803 0.043 0.000 0.838 368 Q CB 0.441 29.247 28.738 0.112 0.000 0.900 368 Q HN 0.572 nan 8.270 nan 0.000 0.436 369 I N 1.193 121.716 120.570 -0.078 0.000 2.179 369 I HA -0.258 3.912 4.170 0.000 0.000 0.242 369 I C 2.276 178.355 176.117 -0.063 0.000 1.088 369 I CA 1.513 62.740 61.300 -0.121 0.000 1.357 369 I CB -0.962 36.947 38.000 -0.151 0.000 1.051 369 I HN 0.197 nan 8.210 nan 0.000 0.409 370 K N 1.032 121.413 120.400 -0.032 0.000 2.057 370 K HA -0.138 4.182 4.320 0.000 0.000 0.207 370 K C 2.216 178.809 176.600 -0.011 0.000 1.049 370 K CA 1.530 57.810 56.287 -0.012 0.000 0.931 370 K CB -0.028 32.480 32.500 0.012 0.000 0.714 370 K HN 0.259 nan 8.250 nan 0.000 0.440 371 A N 1.071 123.891 122.820 -0.000 0.000 1.902 371 A HA -0.138 4.182 4.320 0.000 0.000 0.217 371 A C 2.064 179.647 177.584 -0.001 0.000 1.181 371 A CA 1.413 53.453 52.037 0.007 0.000 0.623 371 A CB -0.529 18.483 19.000 0.020 0.000 0.818 371 A HN 0.332 nan 8.150 nan 0.000 0.443 372 I N -0.612 119.958 120.570 -0.002 0.000 2.179 372 I HA -0.214 3.956 4.170 0.000 0.000 0.242 372 I C 2.373 178.438 176.117 -0.087 0.000 1.088 372 I CA 1.119 62.408 61.300 -0.018 0.000 1.357 372 I CB -0.303 37.706 38.000 0.016 0.000 1.051 372 I HN 0.154 nan 8.210 nan 0.000 0.409 373 V N 0.770 120.621 119.914 -0.105 0.000 2.332 373 V HA -0.313 3.808 4.120 0.000 0.000 0.248 373 V C 2.352 178.404 176.094 -0.070 0.000 1.055 373 V CA 2.022 64.256 62.300 -0.109 0.000 1.038 373 V CB -0.658 31.114 31.823 -0.086 0.000 0.651 373 V HN 0.453 nan 8.190 nan 0.000 0.450 374 E N -0.303 119.871 120.200 -0.043 0.000 2.077 374 E HA -0.179 4.171 4.350 0.000 0.000 0.193 374 E C 2.272 178.854 176.600 -0.030 0.000 0.989 374 E CA 1.803 58.185 56.400 -0.029 0.000 0.800 374 E CB -0.265 29.426 29.700 -0.015 0.000 0.746 374 E HN 0.614 nan 8.360 nan 0.000 0.452 375 T N 1.456 115.993 114.554 -0.028 0.000 2.857 375 T HA -0.059 4.291 4.350 0.000 0.000 0.266 375 T C 1.947 176.627 174.700 -0.034 0.000 1.048 375 T CA 0.561 62.648 62.100 -0.022 0.000 1.139 375 T CB -0.109 68.755 68.868 -0.006 0.000 0.874 375 T HN 0.074 nan 8.240 nan 0.000 0.455 376 L N 0.410 121.601 121.223 -0.054 0.000 2.131 376 L HA -0.087 4.253 4.340 0.000 0.000 0.210 376 L C 2.525 179.360 176.870 -0.058 0.000 1.092 376 L CA 1.320 56.120 54.840 -0.067 0.000 0.759 376 L CB -0.353 41.638 42.059 -0.112 0.000 0.903 376 L HN 0.241 nan 8.230 nan 0.000 0.435 377 K N -1.100 119.269 120.400 -0.052 0.000 2.243 377 K HA -0.035 4.285 4.320 0.000 0.000 0.201 377 K C 1.991 178.570 176.600 -0.035 0.000 1.051 377 K CA 1.556 57.816 56.287 -0.044 0.000 0.970 377 K CB 0.103 32.577 32.500 -0.043 0.000 0.755 377 K HN 0.430 nan 8.250 nan 0.000 0.465 378 T N -2.202 112.333 114.554 -0.031 0.000 3.038 378 T HA 0.037 4.387 4.350 0.000 0.000 0.244 378 T C 0.644 175.329 174.700 -0.025 0.000 1.016 378 T CA 0.093 62.178 62.100 -0.025 0.000 1.098 378 T CB 0.065 68.921 68.868 -0.020 0.000 0.954 378 T HN -0.087 nan 8.240 nan 0.000 0.469 379 N N 2.050 120.734 118.700 -0.027 0.000 2.690 379 N HA 0.419 5.159 4.740 0.000 0.000 0.255 379 N C -2.688 172.801 175.510 -0.036 0.000 1.195 379 N CA -2.199 50.835 53.050 -0.028 0.000 0.790 379 N CB 1.865 40.340 38.487 -0.019 0.000 1.216 379 N HN -0.044 nan 8.380 nan 0.000 0.528 380 P HA 0.038 nan 4.420 nan 0.000 0.226 380 P C 0.293 177.536 177.300 -0.095 0.000 1.153 380 P CA 0.738 63.797 63.100 -0.068 0.000 0.777 380 P CB 0.460 32.115 31.700 -0.076 0.000 0.794 381 D N -0.529 119.823 120.400 -0.080 0.000 2.348 381 D HA -0.066 4.574 4.640 0.000 0.000 0.216 381 D C 0.391 176.661 176.300 -0.050 0.000 0.970 381 D CA 0.644 54.593 54.000 -0.084 0.000 0.889 381 D CB -0.755 40.012 40.800 -0.056 0.000 0.912 381 D HN 0.249 nan 8.370 nan 0.000 0.524 382 D N -0.026 120.357 120.400 -0.029 0.000 2.506 382 D HA -0.048 4.593 4.640 0.000 0.000 0.234 382 D C 0.804 177.115 176.300 0.020 0.000 1.143 382 D CA 0.345 54.344 54.000 -0.002 0.000 0.871 382 D CB 0.650 41.453 40.800 0.005 0.000 1.190 382 D HN -0.099 nan 8.370 nan 0.000 0.459 383 R N 2.004 122.522 120.500 0.030 0.000 2.432 383 R HA 0.215 4.555 4.340 0.000 0.000 0.260 383 R C 0.683 177.008 176.300 0.043 0.000 0.935 383 R CA -0.031 56.099 56.100 0.050 0.000 1.080 383 R CB 0.509 30.836 30.300 0.044 0.000 1.155 383 R HN 0.235 nan 8.270 nan 0.000 0.531 384 R N 0.091 120.613 120.500 0.037 0.000 2.507 384 R HA 0.274 4.614 4.340 0.000 0.000 0.298 384 R C 0.008 176.337 176.300 0.048 0.000 0.999 384 R CA 0.024 56.141 56.100 0.029 0.000 1.082 384 R CB 0.481 30.791 30.300 0.017 0.000 1.246 384 R HN 0.025 nan 8.270 nan 0.000 0.553 385 M N 1.636 121.286 119.600 0.082 0.000 3.436 385 M HA 0.187 4.667 4.480 0.000 0.000 0.240 385 M C -1.039 175.369 176.300 0.181 0.000 1.469 385 M CA 0.179 55.565 55.300 0.144 0.000 1.622 385 M CB -0.062 32.648 32.600 0.182 0.000 1.098 385 M HN -0.060 nan 8.290 nan 0.000 0.568 386 L N 1.755 123.044 121.223 0.109 0.000 2.341 386 L HA 0.753 5.093 4.340 0.000 0.000 0.267 386 L C -0.529 176.403 176.870 0.103 0.000 1.009 386 L CA -0.594 54.261 54.840 0.026 0.000 0.819 386 L CB 1.691 43.714 42.059 -0.060 0.000 1.323 386 L HN 0.367 nan 8.230 nan 0.000 0.425 387 F N -1.356 118.576 119.950 -0.030 0.000 2.593 387 F HA 0.924 5.451 4.527 0.000 0.000 0.320 387 F C -0.354 175.425 175.800 -0.035 0.000 1.060 387 F CA -0.729 57.233 58.000 -0.062 0.000 0.940 387 F CB 2.034 40.957 39.000 -0.127 0.000 1.268 387 F HN 0.387 nan 8.300 nan 0.000 0.475 388 T N 0.259 114.964 114.554 0.252 0.000 2.903 388 T HA 0.676 5.027 4.350 0.000 0.000 0.299 388 T C -0.213 174.833 174.700 0.576 0.000 1.093 388 T CA -0.028 62.241 62.100 0.282 0.000 1.002 388 T CB 1.624 70.602 68.868 0.182 0.000 1.127 388 T HN 1.136 nan 8.240 nan 0.000 0.488 389 A N 2.671 125.842 122.820 0.585 0.000 2.431 389 A HA 0.280 4.600 4.320 0.000 0.000 0.239 389 A C 0.513 178.329 177.584 0.385 0.000 1.230 389 A CA -0.521 51.831 52.037 0.523 0.000 0.928 389 A CB 0.093 19.362 19.000 0.449 0.000 1.006 389 A HN 0.798 nan 8.150 nan 0.000 0.520 390 W N 2.300 123.748 121.300 0.247 0.000 2.290 390 W HA 0.279 4.939 4.660 0.000 0.000 0.408 390 W C -0.690 175.974 176.519 0.242 0.000 0.966 390 W CA -0.393 57.055 57.345 0.173 0.000 1.579 390 W CB 0.192 29.723 29.460 0.119 0.000 1.662 390 W HN 0.268 nan 8.180 nan 0.000 0.341 391 N N 6.425 125.080 118.700 -0.075 0.000 2.621 391 N HA 0.226 4.966 4.740 0.000 0.000 0.237 391 N C -1.808 173.529 175.510 -0.289 0.000 0.997 391 N CA -2.218 50.782 53.050 -0.084 0.000 0.918 391 N CB 1.459 39.738 38.487 -0.348 0.000 1.122 391 N HN 0.030 nan 8.380 nan 0.000 0.510 392 P HA -0.178 nan 4.420 nan 0.000 0.217 392 P C 1.080 178.281 177.300 -0.166 0.000 1.151 392 P CA 1.476 64.442 63.100 -0.224 0.000 0.849 392 P CB 0.247 31.930 31.700 -0.028 0.000 0.787 393 S N -1.524 114.106 115.700 -0.117 0.000 2.461 393 S HA 0.075 4.545 4.470 0.000 0.000 0.228 393 S C 1.884 176.404 174.600 -0.134 0.000 1.005 393 S CA 0.831 58.972 58.200 -0.098 0.000 0.942 393 S CB -0.850 62.316 63.200 -0.056 0.000 0.776 393 S HN 0.125 nan 8.310 nan 0.000 0.514 394 A N 1.158 123.862 122.820 -0.194 0.000 2.220 394 A HA 0.497 4.817 4.320 0.000 0.000 0.211 394 A C 1.961 179.409 177.584 -0.227 0.000 1.176 394 A CA -0.113 51.801 52.037 -0.205 0.000 0.834 394 A CB -0.496 18.360 19.000 -0.240 0.000 0.868 394 A HN 0.451 nan 8.150 nan 0.000 0.488 395 L N -0.012 121.044 121.223 -0.278 0.000 2.021 395 L HA -0.171 4.169 4.340 0.000 0.000 0.215 395 L C -0.564 176.195 176.870 -0.185 0.000 1.074 395 L CA 1.734 56.394 54.840 -0.300 0.000 0.760 395 L CB -1.655 40.150 42.059 -0.423 0.000 0.889 395 L HN 0.228 nan 8.230 nan 0.000 0.433 396 P HA -0.110 nan 4.420 nan 0.000 0.225 396 P C 1.119 178.364 177.300 -0.093 0.000 1.148 396 P CA 0.963 64.001 63.100 -0.102 0.000 0.779 396 P CB 0.010 31.656 31.700 -0.090 0.000 0.780 397 R N -1.579 118.860 120.500 -0.102 0.000 2.297 397 R HA 0.246 4.586 4.340 0.000 0.000 0.197 397 R C 0.932 177.221 176.300 -0.019 0.000 0.943 397 R CA 0.220 56.282 56.100 -0.063 0.000 1.038 397 R CB -0.597 29.661 30.300 -0.071 0.000 0.957 397 R HN 0.359 nan 8.270 nan 0.000 0.484 398 M N -0.597 118.960 119.600 -0.072 0.000 2.314 398 M HA 0.293 4.773 4.480 0.000 0.000 0.342 398 M C 1.351 177.701 176.300 0.083 0.000 1.171 398 M CA -0.339 54.929 55.300 -0.054 0.000 1.098 398 M CB 1.712 34.236 32.600 -0.127 0.000 1.559 398 M HN -0.058 nan 8.290 nan 0.000 0.459 399 A N 3.807 126.733 122.820 0.177 0.000 1.883 399 A HA 0.049 4.369 4.320 0.000 0.000 0.217 399 A C 0.756 178.576 177.584 0.394 0.000 1.186 399 A CA 1.364 53.609 52.037 0.347 0.000 0.624 399 A CB -0.091 19.163 19.000 0.424 0.000 0.822 399 A HN 0.718 nan 8.150 nan 0.000 0.444 400 L N -0.408 121.005 121.223 0.318 0.000 2.422 400 L HA 0.385 4.725 4.340 0.000 0.000 0.264 400 L C -2.653 174.286 176.870 0.116 0.000 0.984 400 L CA -2.369 52.636 54.840 0.275 0.000 0.819 400 L CB 2.598 44.876 42.059 0.364 0.000 1.330 400 L HN 0.027 nan 8.230 nan 0.000 0.410 401 P HA 0.209 nan 4.420 nan 0.000 0.275 401 P C -2.681 174.645 177.300 0.042 0.000 1.228 401 P CA -1.424 61.658 63.100 -0.030 0.000 0.786 401 P CB -0.075 31.613 31.700 -0.020 0.000 0.927 402 P HA 0.034 nan 4.420 nan 0.000 0.271 402 P C 0.795 178.247 177.300 0.254 0.000 1.216 402 P CA -0.225 62.755 63.100 -0.201 0.000 0.771 402 P CB 0.607 32.090 31.700 -0.362 0.000 0.864 403 C N 1.537 121.026 119.300 0.316 0.000 2.541 403 C HA 0.120 4.580 4.460 0.000 0.000 0.284 403 C C 1.335 176.534 174.990 0.349 0.000 1.341 403 C CA 0.177 59.395 59.018 0.333 0.000 1.732 403 C CB -2.138 25.799 27.740 0.328 0.000 2.126 403 C HN 0.676 nan 8.230 nan 0.000 0.505 404 H N 2.094 121.441 119.070 0.462 0.000 3.004 404 H HA 0.542 5.098 4.556 0.000 0.000 0.267 404 H C 0.406 176.046 175.328 0.520 0.000 1.165 404 H CA -0.360 55.917 56.048 0.381 0.000 1.450 404 H CB 0.110 30.083 29.762 0.352 0.000 1.488 404 H HN 0.489 nan 8.280 nan 0.000 0.478 405 L N 1.512 122.966 121.223 0.384 0.000 2.878 405 L HA 0.470 4.810 4.340 0.000 0.000 0.253 405 L C -0.287 176.746 176.870 0.272 0.000 1.135 405 L CA -0.200 54.869 54.840 0.382 0.000 0.943 405 L CB 0.354 42.643 42.059 0.384 0.000 1.307 405 L HN 0.548 nan 8.230 nan 0.000 0.545 406 L N 0.518 121.801 121.223 0.100 0.000 2.556 406 L HA 0.942 5.282 4.340 0.000 0.000 0.257 406 L C -1.800 174.842 176.870 -0.380 0.000 0.955 406 L CA -0.371 54.379 54.840 -0.150 0.000 0.850 406 L CB 2.044 44.035 42.059 -0.112 0.000 1.398 406 L HN 0.047 nan 8.230 nan 0.000 0.412 407 A N 3.554 125.921 122.820 -0.755 0.000 2.486 407 A HA 0.686 5.006 4.320 0.000 0.000 0.300 407 A C -1.704 175.483 177.584 -0.663 0.000 1.048 407 A CA -0.476 51.091 52.037 -0.784 0.000 0.696 407 A CB 1.983 20.392 19.000 -0.986 0.000 1.278 407 A HN 0.703 nan 8.150 nan 0.000 0.405 408 Q N 1.452 120.953 119.800 -0.498 0.000 2.340 408 Q HA 0.700 5.040 4.340 0.000 0.000 0.268 408 Q C -1.847 173.943 176.000 -0.351 0.000 1.031 408 Q CA -0.468 55.155 55.803 -0.299 0.000 0.804 408 Q CB 1.193 29.843 28.738 -0.147 0.000 1.286 408 Q HN 0.599 nan 8.270 nan 0.000 0.448 409 F N 2.413 122.390 119.950 0.046 0.000 2.432 409 F HA 0.533 5.060 4.527 0.000 0.000 0.329 409 F C -0.598 175.295 175.800 0.155 0.000 1.076 409 F CA -0.456 57.601 58.000 0.095 0.000 1.018 409 F CB 1.252 40.301 39.000 0.082 0.000 1.201 409 F HN 0.527 nan 8.300 nan 0.000 0.489 410 Y N 0.754 121.180 120.300 0.211 0.000 2.513 410 Y HA 0.689 5.239 4.550 0.000 0.000 0.340 410 Y C -1.977 173.985 175.900 0.104 0.000 1.055 410 Y CA -1.077 57.090 58.100 0.110 0.000 1.020 410 Y CB 1.629 40.123 38.460 0.057 0.000 1.301 410 Y HN 0.339 nan 8.280 nan 0.000 0.453 411 V N 4.820 124.500 119.914 -0.390 0.000 2.588 411 V HA 0.742 4.862 4.120 0.000 0.000 0.304 411 V C -1.112 174.740 176.094 -0.404 0.000 1.042 411 V CA -0.398 61.757 62.300 -0.241 0.000 0.877 411 V CB 1.667 33.406 31.823 -0.140 0.000 0.996 411 V HN 0.820 nan 8.190 nan 0.000 0.425 412 S N 2.786 118.406 115.700 -0.133 0.000 2.546 412 S HA 0.543 5.013 4.470 0.000 0.000 0.272 412 S C -0.308 174.294 174.600 0.003 0.000 1.140 412 S CA -0.827 57.335 58.200 -0.063 0.000 0.920 412 S CB 1.625 64.863 63.200 0.063 0.000 1.083 412 S HN 0.754 nan 8.310 nan 0.000 0.476 413 N N 1.238 119.935 118.700 -0.006 0.000 2.727 413 N HA -0.191 4.549 4.740 0.000 0.000 0.249 413 N C 1.035 176.549 175.510 0.006 0.000 1.048 413 N CA 1.541 54.595 53.050 0.006 0.000 0.714 413 N CB -1.672 36.828 38.487 0.022 0.000 0.959 413 N HN 2.033 nan 8.380 nan 0.000 0.544 414 G N -0.999 107.797 108.800 -0.007 0.000 2.166 414 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 414 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 414 G C -0.206 174.700 174.900 0.010 0.000 0.986 414 G CA 0.869 45.967 45.100 -0.004 0.000 0.683 414 G HN 0.630 nan 8.290 nan 0.000 0.527 415 E N -0.654 119.561 120.200 0.025 0.000 2.166 415 E HA 0.575 4.925 4.350 0.000 0.000 0.275 415 E C -0.479 176.166 176.600 0.076 0.000 0.941 415 E CA -1.031 55.401 56.400 0.053 0.000 0.784 415 E CB 2.102 31.843 29.700 0.068 0.000 1.115 415 E HN 0.144 nan 8.360 nan 0.000 0.399 416 L N 2.274 123.552 121.223 0.091 0.000 2.276 416 L HA 0.305 4.645 4.340 0.000 0.000 0.286 416 L C -0.726 176.266 176.870 0.203 0.000 1.061 416 L CA 0.239 55.164 54.840 0.142 0.000 0.807 416 L CB 1.236 43.363 42.059 0.113 0.000 1.177 416 L HN 0.358 nan 8.230 nan 0.000 0.429 417 S N 3.403 119.265 115.700 0.270 0.000 2.607 417 S HA 0.662 5.132 4.470 0.000 0.000 0.303 417 S C -1.263 173.476 174.600 0.231 0.000 1.086 417 S CA -0.596 57.745 58.200 0.234 0.000 0.995 417 S CB 1.638 64.963 63.200 0.209 0.000 1.084 417 S HN 0.813 nan 8.310 nan 0.000 0.507 418 C N 3.117 122.469 119.300 0.085 0.000 2.547 418 C HA 0.795 5.256 4.460 0.000 0.000 0.313 418 C C -0.701 174.199 174.990 -0.150 0.000 1.191 418 C CA -0.701 58.234 59.018 -0.139 0.000 1.474 418 C CB 0.619 28.261 27.740 -0.162 0.000 2.081 418 C HN 0.959 nan 8.230 nan 0.000 0.476 419 M N 6.244 125.699 119.600 -0.242 0.000 2.167 419 M HA 0.657 5.137 4.480 0.000 0.000 0.333 419 M C -1.231 174.903 176.300 -0.276 0.000 1.030 419 M CA -0.386 54.797 55.300 -0.195 0.000 0.963 419 M CB 1.249 33.760 32.600 -0.148 0.000 1.589 419 M HN 0.722 nan 8.290 nan 0.000 0.431 420 L N 6.088 127.140 121.223 -0.285 0.000 2.289 420 L HA 0.518 4.859 4.340 0.000 0.000 0.285 420 L C -2.020 174.746 176.870 -0.175 0.000 1.049 420 L CA -0.179 54.411 54.840 -0.417 0.000 0.804 420 L CB 1.043 42.627 42.059 -0.791 0.000 1.195 420 L HN 0.745 nan 8.230 nan 0.000 0.428 421 Y N 4.282 124.444 120.300 -0.230 0.000 2.331 421 Y HA 0.492 5.042 4.550 0.000 0.000 0.338 421 Y C -0.528 175.348 175.900 -0.041 0.000 0.976 421 Y CA -0.187 57.845 58.100 -0.112 0.000 1.137 421 Y CB 1.014 39.397 38.460 -0.128 0.000 1.172 421 Y HN 0.748 nan 8.280 nan 0.000 0.478 422 Q N 6.538 126.115 119.800 -0.371 0.000 2.327 422 Q HA 0.293 4.633 4.340 0.000 0.000 0.270 422 Q C 0.609 176.453 176.000 -0.260 0.000 1.022 422 Q CA -0.744 54.997 55.803 -0.104 0.000 0.773 422 Q CB 1.109 29.919 28.738 0.119 0.000 1.251 422 Q HN 0.971 nan 8.270 nan 0.000 0.457 423 R N 1.272 121.768 120.500 -0.007 0.000 2.115 423 R HA 0.096 4.436 4.340 0.000 0.000 0.226 423 R C 0.363 176.716 176.300 0.090 0.000 1.100 423 R CA 0.707 56.842 56.100 0.058 0.000 0.980 423 R CB 0.244 30.607 30.300 0.105 0.000 0.875 423 R HN 0.282 nan 8.270 nan 0.000 0.445 424 S N -0.086 115.692 115.700 0.129 0.000 2.736 424 S HA 0.447 4.917 4.470 0.000 0.000 0.285 424 S C -1.465 173.217 174.600 0.137 0.000 1.163 424 S CA -0.876 57.445 58.200 0.201 0.000 1.025 424 S CB 1.459 64.814 63.200 0.259 0.000 1.030 424 S HN 0.353 nan 8.310 nan 0.000 0.486 425 C N 4.030 123.295 119.300 -0.059 0.000 2.356 425 C HA 0.466 4.926 4.460 0.000 0.000 0.324 425 C C -0.227 174.357 174.990 -0.678 0.000 1.167 425 C CA -1.093 57.801 59.018 -0.207 0.000 1.420 425 C CB -0.068 27.577 27.740 -0.158 0.000 2.036 425 C HN 0.933 nan 8.230 nan 0.000 0.435 426 D N 3.423 123.582 120.400 -0.402 0.000 2.352 426 D HA 0.187 4.827 4.640 0.000 0.000 0.245 426 D C 1.261 177.507 176.300 -0.091 0.000 1.224 426 D CA -0.207 53.598 54.000 -0.325 0.000 0.879 426 D CB 0.660 41.490 40.800 0.049 0.000 1.057 426 D HN 0.343 nan 8.370 nan 0.000 0.491 427 M N 3.100 122.633 119.600 -0.111 0.000 2.159 427 M HA 0.012 4.492 4.480 0.000 0.000 0.263 427 M C 2.070 178.514 176.300 0.242 0.000 1.063 427 M CA 1.252 56.583 55.300 0.052 0.000 1.110 427 M CB -1.297 31.259 32.600 -0.073 0.000 1.374 427 M HN 0.594 nan 8.290 nan 0.000 0.411 428 G N -0.424 108.507 108.800 0.219 0.000 2.421 428 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 428 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 428 G C 1.533 176.601 174.900 0.279 0.000 1.171 428 G CA 0.814 46.096 45.100 0.303 0.000 0.775 428 G HN 0.371 nan 8.290 nan 0.000 0.543 429 L N -0.530 120.832 121.223 0.233 0.000 2.588 429 L HA 0.443 4.783 4.340 0.000 0.000 0.194 429 L C 2.781 179.762 176.870 0.186 0.000 1.070 429 L CA 1.476 56.433 54.840 0.195 0.000 0.852 429 L CB -0.706 41.441 42.059 0.145 0.000 1.199 429 L HN 0.160 nan 8.230 nan 0.000 0.486 430 G N -0.612 108.278 108.800 0.150 0.000 2.421 430 G HA2 -0.164 3.796 3.960 0.000 0.000 0.216 430 G HA3 -0.164 3.796 3.960 0.000 0.000 0.216 430 G C 1.478 176.520 174.900 0.238 0.000 1.171 430 G CA 1.229 46.424 45.100 0.158 0.000 0.775 430 G HN 0.225 nan 8.290 nan 0.000 0.543 431 V N 2.121 122.166 119.914 0.217 0.000 2.261 431 V HA -0.116 4.004 4.120 0.000 0.000 0.246 431 V C 0.365 176.579 176.094 0.200 0.000 1.047 431 V CA 2.321 64.775 62.300 0.257 0.000 1.015 431 V CB -1.124 30.849 31.823 0.250 0.000 0.642 431 V HN 0.292 nan 8.190 nan 0.000 0.446 432 P HA -0.175 nan 4.420 nan 0.000 0.216 432 P C 1.695 179.023 177.300 0.047 0.000 1.150 432 P CA 1.471 64.553 63.100 -0.029 0.000 0.837 432 P CB -0.121 31.554 31.700 -0.042 0.000 0.786 433 F N 0.609 120.573 119.950 0.023 0.000 2.102 433 F HA -0.175 4.352 4.527 0.000 0.000 0.298 433 F C 1.923 177.731 175.800 0.012 0.000 1.105 433 F CA 1.578 59.595 58.000 0.027 0.000 1.239 433 F CB -0.500 38.532 39.000 0.054 0.000 0.991 433 F HN -0.131 nan 8.300 nan 0.000 0.474 434 N N 0.483 119.340 118.700 0.261 0.000 2.331 434 N HA -0.097 4.643 4.740 0.000 0.000 0.180 434 N C 2.009 177.538 175.510 0.032 0.000 1.019 434 N CA 1.314 54.460 53.050 0.159 0.000 0.881 434 N CB -0.271 38.307 38.487 0.152 0.000 0.972 434 N HN 0.357 nan 8.380 nan 0.000 0.435 435 I N 1.296 121.835 120.570 -0.051 0.000 2.179 435 I HA -0.236 3.934 4.170 0.000 0.000 0.242 435 I C 2.392 178.391 176.117 -0.196 0.000 1.088 435 I CA 1.059 62.237 61.300 -0.204 0.000 1.357 435 I CB -0.283 37.461 38.000 -0.427 0.000 1.051 435 I HN 0.043 nan 8.210 nan 0.000 0.409 436 A N 0.026 122.730 122.820 -0.192 0.000 1.902 436 A HA -0.201 4.119 4.320 0.000 0.000 0.217 436 A C 2.484 180.029 177.584 -0.065 0.000 1.181 436 A CA 2.190 54.144 52.037 -0.138 0.000 0.623 436 A CB -0.798 18.120 19.000 -0.136 0.000 0.818 436 A HN 0.385 nan 8.150 nan 0.000 0.443 437 S N -1.300 114.329 115.700 -0.118 0.000 2.359 437 S HA -0.192 4.278 4.470 0.000 0.000 0.223 437 S C 1.794 176.357 174.600 -0.062 0.000 1.039 437 S CA 1.864 60.004 58.200 -0.101 0.000 1.042 437 S CB -0.559 62.625 63.200 -0.027 0.000 0.915 437 S HN 0.680 nan 8.310 nan 0.000 0.439 438 Y N 1.231 121.512 120.300 -0.031 0.000 2.475 438 Y HA 0.229 4.780 4.550 0.000 0.000 0.289 438 Y C 2.389 178.298 175.900 0.016 0.000 1.121 438 Y CA 0.142 58.246 58.100 0.007 0.000 1.257 438 Y CB -0.576 37.841 38.460 -0.072 0.000 1.026 438 Y HN 0.252 nan 8.280 nan 0.000 0.555 439 A N -0.003 122.869 122.820 0.088 0.000 1.877 439 A HA -0.203 4.117 4.320 0.000 0.000 0.216 439 A C 2.135 179.768 177.584 0.081 0.000 1.186 439 A CA 1.734 53.795 52.037 0.042 0.000 0.620 439 A CB -1.019 17.939 19.000 -0.070 0.000 0.822 439 A HN 0.397 nan 8.150 nan 0.000 0.443 440 L N -0.781 120.499 121.223 0.095 0.000 2.046 440 L HA -0.116 4.224 4.340 0.000 0.000 0.208 440 L C 2.265 179.200 176.870 0.109 0.000 1.077 440 L CA 2.057 56.978 54.840 0.135 0.000 0.747 440 L CB -0.680 41.458 42.059 0.131 0.000 0.896 440 L HN 0.376 nan 8.230 nan 0.000 0.432 441 L N -1.012 120.261 121.223 0.083 0.000 2.017 441 L HA -0.190 4.150 4.340 0.000 0.000 0.208 441 L C 2.324 179.305 176.870 0.185 0.000 1.073 441 L CA 2.511 57.417 54.840 0.111 0.000 0.745 441 L CB -1.110 40.983 42.059 0.056 0.000 0.894 441 L HN 0.346 nan 8.230 nan 0.000 0.432 442 T N -0.091 114.607 114.554 0.241 0.000 2.746 442 T HA -0.165 4.185 4.350 0.000 0.000 0.267 442 T C 1.985 176.778 174.700 0.155 0.000 1.039 442 T CA 1.987 64.262 62.100 0.292 0.000 1.142 442 T CB -0.398 68.630 68.868 0.267 0.000 0.866 442 T HN 0.317 nan 8.240 nan 0.000 0.444 443 I N 0.674 121.318 120.570 0.124 0.000 2.163 443 I HA -0.170 4.000 4.170 0.000 0.000 0.243 443 I C 2.297 178.428 176.117 0.024 0.000 1.085 443 I CA 1.343 62.703 61.300 0.099 0.000 1.347 443 I CB -0.369 37.727 38.000 0.160 0.000 1.044 443 I HN 0.189 nan 8.210 nan 0.000 0.408 444 L N -0.014 121.215 121.223 0.010 0.000 2.056 444 L HA -0.206 4.134 4.340 0.000 0.000 0.207 444 L C 2.477 179.274 176.870 -0.122 0.000 1.078 444 L CA 0.934 55.703 54.840 -0.119 0.000 0.749 444 L CB -0.433 41.560 42.059 -0.110 0.000 0.901 444 L HN 0.234 nan 8.230 nan 0.000 0.433 445 I N 0.195 120.719 120.570 -0.076 0.000 2.252 445 I HA -0.238 3.932 4.170 0.000 0.000 0.245 445 I C 2.857 178.886 176.117 -0.146 0.000 1.102 445 I CA 1.499 62.706 61.300 -0.155 0.000 1.385 445 I CB -1.473 36.340 38.000 -0.312 0.000 1.064 445 I HN 0.182 nan 8.210 nan 0.000 0.414 446 A N 1.132 123.901 122.820 -0.085 0.000 1.908 446 A HA -0.236 4.084 4.320 0.000 0.000 0.218 446 A C 2.345 179.879 177.584 -0.083 0.000 1.181 446 A CA 1.749 53.748 52.037 -0.062 0.000 0.627 446 A CB -0.557 18.438 19.000 -0.008 0.000 0.818 446 A HN 0.376 nan 8.150 nan 0.000 0.445 447 K N -0.521 119.808 120.400 -0.117 0.000 2.211 447 K HA 0.044 4.365 4.320 0.000 0.000 0.203 447 K C 1.895 178.425 176.600 -0.118 0.000 1.050 447 K CA 0.926 57.123 56.287 -0.150 0.000 0.945 447 K CB -0.197 32.136 32.500 -0.278 0.000 0.732 447 K HN 0.446 nan 8.250 nan 0.000 0.451 448 A N 0.797 123.550 122.820 -0.111 0.000 2.218 448 A HA -0.026 4.294 4.320 0.000 0.000 0.209 448 A C 1.577 179.113 177.584 -0.081 0.000 1.168 448 A CA 1.137 53.124 52.037 -0.082 0.000 0.804 448 A CB -0.145 18.809 19.000 -0.076 0.000 0.834 448 A HN 0.351 nan 8.150 nan 0.000 0.482 449 T N -5.900 108.601 114.554 -0.088 0.000 3.111 449 T HA 0.432 4.782 4.350 0.000 0.000 0.284 449 T C 1.093 175.755 174.700 -0.064 0.000 0.983 449 T CA 0.869 62.920 62.100 -0.081 0.000 0.900 449 T CB 0.095 68.899 68.868 -0.106 0.000 1.132 449 T HN 1.553 nan 8.240 nan 0.000 0.531 450 G N 1.575 110.340 108.800 -0.059 0.000 2.198 450 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 450 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 450 G C -0.191 174.687 174.900 -0.037 0.000 1.025 450 G CA 0.485 45.558 45.100 -0.046 0.000 0.769 450 G HN 0.658 nan 8.290 nan 0.000 0.507 451 L N -1.372 119.828 121.223 -0.038 0.000 2.286 451 L HA 0.747 5.088 4.340 0.000 0.000 0.265 451 L C 0.937 177.802 176.870 -0.008 0.000 1.012 451 L CA -1.378 53.449 54.840 -0.021 0.000 0.818 451 L CB 1.373 43.419 42.059 -0.022 0.000 1.337 451 L HN 0.072 nan 8.230 nan 0.000 0.438 452 R N 0.705 121.212 120.500 0.011 0.000 2.540 452 R HA 0.407 4.747 4.340 0.000 0.000 0.287 452 R C -2.490 173.838 176.300 0.046 0.000 0.980 452 R CA -1.835 54.281 56.100 0.026 0.000 0.966 452 R CB 1.018 31.337 30.300 0.031 0.000 1.106 452 R HN 0.228 nan 8.270 nan 0.000 0.480 453 P HA -0.014 nan 4.420 nan 0.000 0.267 453 P C -0.204 177.145 177.300 0.082 0.000 1.205 453 P CA 0.293 63.440 63.100 0.078 0.000 0.765 453 P CB 1.026 32.774 31.700 0.080 0.000 0.828 454 G N 2.848 111.708 108.800 0.099 0.000 2.754 454 G HA2 0.199 4.159 3.960 0.000 0.000 0.210 454 G HA3 0.199 4.159 3.960 0.000 0.000 0.210 454 G C -0.560 174.396 174.900 0.094 0.000 2.092 454 G CA -0.041 45.117 45.100 0.097 0.000 0.766 454 G HN 0.463 nan 8.290 nan 0.000 0.745 455 E N -0.673 119.588 120.200 0.101 0.000 2.256 455 E HA 0.510 4.860 4.350 0.000 0.000 0.267 455 E C -1.654 175.004 176.600 0.097 0.000 0.892 455 E CA -0.762 55.690 56.400 0.088 0.000 0.775 455 E CB 2.884 32.615 29.700 0.052 0.000 1.207 455 E HN 0.181 nan 8.360 nan 0.000 0.420 456 L N 2.949 124.246 121.223 0.123 0.000 2.282 456 L HA 0.378 4.719 4.340 0.000 0.000 0.288 456 L C -1.336 175.613 176.870 0.131 0.000 1.033 456 L CA -0.533 54.385 54.840 0.130 0.000 0.807 456 L CB 1.370 43.530 42.059 0.169 0.000 1.209 456 L HN 0.283 nan 8.230 nan 0.000 0.423 457 V N 5.115 125.060 119.914 0.052 0.000 2.459 457 V HA 0.384 4.505 4.120 0.000 0.000 0.295 457 V C -0.625 175.509 176.094 0.066 0.000 1.029 457 V CA -0.605 61.716 62.300 0.034 0.000 0.874 457 V CB 1.338 33.136 31.823 -0.042 0.000 0.985 457 V HN 0.825 nan 8.190 nan 0.000 0.438 458 H N 2.369 121.438 119.070 -0.001 0.000 2.638 458 H HA 0.492 5.048 4.556 0.000 0.000 0.317 458 H C -0.640 174.636 175.328 -0.086 0.000 1.006 458 H CA -0.433 55.600 56.048 -0.024 0.000 1.222 458 H CB 1.157 30.985 29.762 0.109 0.000 1.419 458 H HN 0.696 nan 8.280 nan 0.000 0.489 459 T N 6.364 120.979 114.554 0.103 0.000 2.795 459 T HA 0.298 4.648 4.350 0.000 0.000 0.282 459 T C -0.603 173.926 174.700 -0.285 0.000 0.980 459 T CA -0.618 61.410 62.100 -0.120 0.000 1.012 459 T CB 0.641 69.445 68.868 -0.105 0.000 0.936 459 T HN 0.295 nan 8.240 nan 0.000 0.457 460 L N 2.615 123.619 121.223 -0.365 0.000 2.341 460 L HA 0.637 4.977 4.340 0.000 0.000 0.278 460 L C 1.145 177.761 176.870 -0.423 0.000 1.005 460 L CA -0.337 54.272 54.840 -0.385 0.000 0.818 460 L CB 1.416 43.276 42.059 -0.332 0.000 1.259 460 L HN 0.783 nan 8.230 nan 0.000 0.418 461 G N 0.547 109.121 108.800 -0.376 0.000 2.672 461 G HA2 -0.056 3.904 3.960 0.000 0.000 0.200 461 G HA3 -0.056 3.904 3.960 0.000 0.000 0.200 461 G C -0.172 174.770 174.900 0.069 0.000 1.819 461 G CA -0.038 44.944 45.100 -0.198 0.000 0.902 461 G HN 0.586 nan 8.290 nan 0.000 0.512 462 D N 1.867 122.413 120.400 0.243 0.000 2.383 462 D HA 0.433 5.074 4.640 0.000 0.000 0.245 462 D C -0.071 176.329 176.300 0.166 0.000 1.263 462 D CA -0.142 54.020 54.000 0.269 0.000 0.936 462 D CB 0.427 41.373 40.800 0.244 0.000 1.053 462 D HN 0.283 nan 8.370 nan 0.000 0.507 463 A N 5.575 128.430 122.820 0.059 0.000 2.260 463 A HA 0.510 4.830 4.320 0.000 0.000 0.308 463 A C -0.263 177.291 177.584 -0.051 0.000 1.254 463 A CA -0.592 51.391 52.037 -0.092 0.000 0.874 463 A CB 0.539 19.463 19.000 -0.127 0.000 1.153 463 A HN 0.748 nan 8.150 nan 0.000 0.527 464 H N -0.366 118.649 119.070 -0.092 0.000 2.985 464 H HA 0.786 5.342 4.556 0.000 0.000 0.360 464 H C -1.935 173.289 175.328 -0.173 0.000 1.221 464 H CA -1.098 54.864 56.048 -0.143 0.000 1.121 464 H CB 1.390 31.035 29.762 -0.194 0.000 1.854 464 H HN 0.344 nan 8.280 nan 0.000 0.551 465 V N 1.924 121.818 119.914 -0.033 0.000 2.709 465 V HA 0.160 4.280 4.120 0.000 0.000 0.308 465 V C -0.931 175.112 176.094 -0.084 0.000 1.062 465 V CA -0.834 61.439 62.300 -0.046 0.000 0.901 465 V CB 1.643 33.470 31.823 0.006 0.000 1.003 465 V HN 0.628 nan 8.190 nan 0.000 0.425 466 Y N 1.989 122.287 120.300 -0.002 0.000 2.511 466 Y HA 0.032 4.582 4.550 0.000 0.000 0.332 466 Y C 1.921 177.834 175.900 0.022 0.000 1.177 466 Y CA 0.647 58.718 58.100 -0.049 0.000 1.422 466 Y CB 0.845 39.162 38.460 -0.238 0.000 1.271 466 Y HN 0.701 nan 8.280 nan 0.000 0.550 467 S N 1.802 117.599 115.700 0.162 0.000 2.400 467 S HA -0.223 4.247 4.470 0.000 0.000 0.232 467 S C 1.884 176.568 174.600 0.140 0.000 1.025 467 S CA 1.512 59.778 58.200 0.110 0.000 0.993 467 S CB -0.259 62.983 63.200 0.070 0.000 0.808 467 S HN 0.841 nan 8.310 nan 0.000 0.478 468 N N 1.249 120.060 118.700 0.185 0.000 2.216 468 N HA -0.148 4.593 4.740 0.000 0.000 0.183 468 N C 1.079 176.724 175.510 0.224 0.000 1.017 468 N CA 1.144 54.299 53.050 0.176 0.000 0.861 468 N CB -0.989 37.595 38.487 0.162 0.000 0.986 468 N HN 0.566 nan 8.380 nan 0.000 0.428 469 H N 0.082 119.216 119.070 0.107 0.000 2.567 469 H HA 0.090 4.646 4.556 0.000 0.000 0.276 469 H C 1.456 176.828 175.328 0.074 0.000 1.016 469 H CA -0.104 56.004 56.048 0.099 0.000 1.186 469 H CB 0.551 30.412 29.762 0.166 0.000 1.351 469 H HN 0.059 nan 8.280 nan 0.000 0.605 470 V N 0.855 120.867 119.914 0.163 0.000 2.261 470 V HA -0.230 3.890 4.120 0.000 0.000 0.246 470 V C 2.271 178.397 176.094 0.054 0.000 1.047 470 V CA 1.651 64.007 62.300 0.092 0.000 1.015 470 V CB -0.145 31.718 31.823 0.066 0.000 0.642 470 V HN 0.429 nan 8.190 nan 0.000 0.446 471 E N -0.462 119.761 120.200 0.040 0.000 2.077 471 E HA -0.159 4.191 4.350 0.000 0.000 0.193 471 E C 0.328 176.930 176.600 0.004 0.000 0.989 471 E CA 1.674 58.084 56.400 0.017 0.000 0.800 471 E CB -1.768 27.939 29.700 0.012 0.000 0.746 471 E HN 0.498 nan 8.360 nan 0.000 0.452 472 P HA -0.128 nan 4.420 nan 0.000 0.214 472 P C 1.551 178.851 177.300 -0.000 0.000 1.163 472 P CA 1.193 64.277 63.100 -0.027 0.000 0.889 472 P CB -0.133 31.511 31.700 -0.092 0.000 0.790 473 C N -1.189 118.127 119.300 0.028 0.000 2.413 473 C HA -0.113 4.347 4.460 0.000 0.000 0.276 473 C C 2.572 177.569 174.990 0.012 0.000 1.248 473 C CA 0.994 60.035 59.018 0.039 0.000 1.742 473 C CB -2.007 25.767 27.740 0.057 0.000 2.017 473 C HN 0.305 nan 8.230 nan 0.000 0.481 474 N N 0.722 119.426 118.700 0.006 0.000 2.149 474 N HA -0.115 4.625 4.740 0.000 0.000 0.188 474 N C 1.692 177.194 175.510 -0.013 0.000 1.019 474 N CA 1.229 54.276 53.050 -0.005 0.000 0.857 474 N CB -0.400 38.086 38.487 -0.002 0.000 0.997 474 N HN 0.583 nan 8.380 nan 0.000 0.426 475 E N 0.697 120.889 120.200 -0.013 0.000 2.107 475 E HA -0.146 4.204 4.350 0.000 0.000 0.191 475 E C 1.830 178.406 176.600 -0.040 0.000 0.982 475 E CA 0.452 56.837 56.400 -0.024 0.000 0.809 475 E CB -0.295 29.394 29.700 -0.019 0.000 0.756 475 E HN 0.528 nan 8.360 nan 0.000 0.459 476 Q N 0.537 120.320 119.800 -0.028 0.000 2.170 476 Q HA -0.090 4.251 4.340 0.000 0.000 0.203 476 Q C 2.254 178.227 176.000 -0.046 0.000 0.976 476 Q CA 0.698 56.479 55.803 -0.036 0.000 0.858 476 Q CB -0.016 28.736 28.738 0.023 0.000 0.907 476 Q HN 0.246 nan 8.270 nan 0.000 0.433 477 L N 0.362 121.568 121.223 -0.028 0.000 2.201 477 L HA -0.142 4.198 4.340 0.000 0.000 0.212 477 L C 1.740 178.584 176.870 -0.043 0.000 1.105 477 L CA 0.725 55.547 54.840 -0.029 0.000 0.775 477 L CB -0.140 41.903 42.059 -0.028 0.000 0.913 477 L HN 0.027 nan 8.230 nan 0.000 0.440 478 K N 0.361 120.727 120.400 -0.056 0.000 2.458 478 K HA 0.136 4.456 4.320 0.000 0.000 0.194 478 K C 0.272 176.815 176.600 -0.095 0.000 1.024 478 K CA 0.197 56.449 56.287 -0.057 0.000 1.108 478 K CB -0.045 32.431 32.500 -0.041 0.000 0.846 478 K HN 0.273 nan 8.250 nan 0.000 0.518 479 R N 0.543 120.944 120.500 -0.165 0.000 2.441 479 R HA 0.245 4.585 4.340 0.000 0.000 0.284 479 R C -0.295 175.901 176.300 -0.173 0.000 1.070 479 R CA -0.391 55.520 56.100 -0.315 0.000 1.047 479 R CB 1.175 31.078 30.300 -0.663 0.000 1.016 479 R HN -0.241 nan 8.270 nan 0.000 0.477 480 V N 5.803 125.670 119.914 -0.078 0.000 2.385 480 V HA 0.165 4.285 4.120 0.000 0.000 0.269 480 V C -1.972 174.190 176.094 0.115 0.000 1.043 480 V CA -2.025 60.295 62.300 0.034 0.000 0.906 480 V CB 0.978 32.846 31.823 0.075 0.000 0.995 480 V HN 0.647 nan 8.190 nan 0.000 0.467 481 P HA 0.154 nan 4.420 nan 0.000 0.264 481 P C -0.081 177.255 177.300 0.061 0.000 1.183 481 P CA 0.167 63.318 63.100 0.086 0.000 0.763 481 P CB 0.552 32.247 31.700 -0.008 0.000 0.807 482 R N 1.743 122.292 120.500 0.082 0.000 2.549 482 R HA 0.656 4.996 4.340 0.000 0.000 0.259 482 R C 0.242 176.462 176.300 -0.133 0.000 1.095 482 R CA -0.930 55.160 56.100 -0.017 0.000 1.148 482 R CB 0.488 30.767 30.300 -0.035 0.000 1.181 482 R HN 0.458 nan 8.270 nan 0.000 0.571 483 A N 1.193 123.944 122.820 -0.115 0.000 2.498 483 A HA 0.174 4.494 4.320 0.000 0.000 0.239 483 A C -0.490 177.048 177.584 -0.077 0.000 1.068 483 A CA -0.083 51.865 52.037 -0.148 0.000 0.766 483 A CB -0.095 18.869 19.000 -0.060 0.000 1.003 483 A HN 0.398 nan 8.150 nan 0.000 0.497 484 F N 2.823 122.731 119.950 -0.069 0.000 2.539 484 F HA 0.274 4.802 4.527 0.000 0.000 0.340 484 F C -1.039 174.608 175.800 -0.255 0.000 1.185 484 F CA -1.435 56.487 58.000 -0.130 0.000 1.333 484 F CB -0.002 38.886 39.000 -0.186 0.000 1.152 484 F HN 0.433 nan 8.300 nan 0.000 0.602 485 P HA 0.240 nan 4.420 nan 0.000 0.312 485 P C -1.598 175.414 177.300 -0.479 0.000 1.308 485 P CA -0.079 62.951 63.100 -0.118 0.000 0.743 485 P CB 0.948 32.615 31.700 -0.056 0.000 1.364 486 Y N -2.172 118.065 120.300 -0.106 0.000 2.576 486 Y HA 0.555 5.105 4.550 0.000 0.000 0.346 486 Y C -0.163 175.601 175.900 -0.227 0.000 1.018 486 Y CA -1.026 57.001 58.100 -0.122 0.000 1.050 486 Y CB 1.560 39.995 38.460 -0.041 0.000 1.280 486 Y HN 0.072 nan 8.280 nan 0.000 0.474 487 L N 3.596 124.777 121.223 -0.069 0.000 2.333 487 L HA 0.847 5.187 4.340 0.000 0.000 0.280 487 L C -0.983 175.828 176.870 -0.098 0.000 1.004 487 L CA -0.717 53.998 54.840 -0.210 0.000 0.820 487 L CB 1.249 43.127 42.059 -0.302 0.000 1.247 487 L HN 0.494 nan 8.230 nan 0.000 0.416 488 V N 1.006 120.828 119.914 -0.153 0.000 2.864 488 V HA 0.625 4.745 4.120 0.000 0.000 0.314 488 V C -0.733 175.253 176.094 -0.181 0.000 1.073 488 V CA -0.770 61.503 62.300 -0.045 0.000 0.956 488 V CB 1.777 33.609 31.823 0.015 0.000 1.023 488 V HN 0.551 nan 8.190 nan 0.000 0.435 489 F N 2.094 122.077 119.950 0.055 0.000 2.385 489 F HA 0.605 5.132 4.527 0.000 0.000 0.360 489 F C 1.481 177.324 175.800 0.073 0.000 1.122 489 F CA -0.495 57.556 58.000 0.085 0.000 1.090 489 F CB 1.672 40.741 39.000 0.115 0.000 1.150 489 F HN 0.651 nan 8.300 nan 0.000 0.472 490 R N 2.686 123.291 120.500 0.175 0.000 2.115 490 R HA -0.022 4.318 4.340 0.000 0.000 0.230 490 R C 0.151 176.536 176.300 0.141 0.000 1.111 490 R CA 1.142 57.316 56.100 0.123 0.000 0.976 490 R CB 0.272 30.620 30.300 0.079 0.000 0.870 490 R HN 0.833 nan 8.270 nan 0.000 0.445 491 R N -1.127 119.496 120.500 0.204 0.000 2.733 491 R HA 0.305 4.646 4.340 0.000 0.000 0.272 491 R C -1.359 175.058 176.300 0.195 0.000 1.029 491 R CA -1.044 55.146 56.100 0.149 0.000 0.888 491 R CB 1.010 31.355 30.300 0.076 0.000 1.251 491 R HN -0.192 nan 8.270 nan 0.000 0.464 492 E N 0.834 121.074 120.200 0.068 0.000 2.303 492 E HA 0.573 4.924 4.350 0.000 0.000 0.254 492 E C -0.512 175.939 176.600 -0.249 0.000 0.979 492 E CA -1.092 55.302 56.400 -0.009 0.000 0.843 492 E CB 1.228 30.935 29.700 0.012 0.000 1.245 492 E HN 0.428 nan 8.360 nan 0.000 0.413 493 R N 0.345 120.579 120.500 -0.442 0.000 2.808 493 R HA 0.239 4.579 4.340 0.000 0.000 0.272 493 R C 0.774 176.921 176.300 -0.255 0.000 0.995 493 R CA -0.600 55.246 56.100 -0.423 0.000 0.917 493 R CB 1.232 31.099 30.300 -0.722 0.000 1.217 493 R HN 0.631 nan 8.270 nan 0.000 0.471 494 E N 0.488 120.554 120.200 -0.223 0.000 2.106 494 E HA -0.015 4.335 4.350 0.000 0.000 0.192 494 E C -0.515 175.718 176.600 -0.612 0.000 0.984 494 E CA 1.216 57.368 56.400 -0.413 0.000 0.806 494 E CB 0.273 29.707 29.700 -0.442 0.000 0.750 494 E HN 0.258 nan 8.360 nan 0.000 0.458 495 F N -0.379 119.553 119.950 -0.030 0.000 2.540 495 F HA 0.168 4.695 4.527 0.000 0.000 0.317 495 F C 0.566 176.430 175.800 0.106 0.000 1.104 495 F CA -0.887 57.130 58.000 0.030 0.000 0.913 495 F CB 1.444 40.458 39.000 0.024 0.000 1.170 495 F HN -0.151 nan 8.300 nan 0.000 0.450 496 L N 1.984 123.414 121.223 0.346 0.000 2.051 496 L HA -0.213 4.127 4.340 0.000 0.000 0.214 496 L C 1.797 178.888 176.870 0.368 0.000 1.076 496 L CA 2.152 57.214 54.840 0.370 0.000 0.758 496 L CB -0.528 41.646 42.059 0.191 0.000 0.890 496 L HN 0.655 nan 8.230 nan 0.000 0.433 497 E N -0.466 119.891 120.200 0.263 0.000 2.409 497 E HA -0.137 4.213 4.350 0.000 0.000 0.198 497 E C 1.377 178.083 176.600 0.178 0.000 1.024 497 E CA 0.958 57.470 56.400 0.187 0.000 0.861 497 E CB -0.214 29.556 29.700 0.116 0.000 0.788 497 E HN 0.557 nan 8.360 nan 0.000 0.521 498 D N -1.060 119.454 120.400 0.190 0.000 2.360 498 D HA -0.015 4.625 4.640 0.000 0.000 0.210 498 D C -0.379 175.948 176.300 0.045 0.000 1.047 498 D CA 0.056 54.112 54.000 0.095 0.000 0.854 498 D CB 0.015 40.858 40.800 0.072 0.000 0.936 498 D HN 0.194 nan 8.370 nan 0.000 0.514 499 Y N 1.844 122.209 120.300 0.107 0.000 2.610 499 Y HA 0.063 4.614 4.550 0.000 0.000 0.332 499 Y C 1.165 177.122 175.900 0.095 0.000 1.201 499 Y CA 0.537 58.708 58.100 0.117 0.000 1.465 499 Y CB 0.527 39.076 38.460 0.148 0.000 1.283 499 Y HN -0.201 nan 8.280 nan 0.000 0.563 500 E N 1.352 121.687 120.200 0.226 0.000 2.281 500 E HA 0.088 4.438 4.350 0.000 0.000 0.262 500 E C 0.620 177.298 176.600 0.130 0.000 0.933 500 E CA -0.819 55.662 56.400 0.134 0.000 0.809 500 E CB 1.439 31.187 29.700 0.080 0.000 1.242 500 E HN 0.620 nan 8.360 nan 0.000 0.418 501 E N 1.610 121.838 120.200 0.048 0.000 2.110 501 E HA -0.139 4.211 4.350 0.000 0.000 0.193 501 E C 1.538 178.169 176.600 0.052 0.000 0.988 501 E CA 1.382 57.785 56.400 0.005 0.000 0.804 501 E CB -0.204 29.444 29.700 -0.086 0.000 0.745 501 E HN 0.786 nan 8.360 nan 0.000 0.458 502 G N 0.454 109.286 108.800 0.054 0.000 2.776 502 G HA2 -0.170 3.790 3.960 0.000 0.000 0.209 502 G HA3 -0.170 3.790 3.960 0.000 0.000 0.209 502 G C 0.973 175.920 174.900 0.080 0.000 1.145 502 G CA 0.430 45.566 45.100 0.060 0.000 0.791 502 G HN 0.197 nan 8.290 nan 0.000 0.530 503 D N 0.172 120.645 120.400 0.123 0.000 2.289 503 D HA 0.059 4.699 4.640 0.000 0.000 0.207 503 D C 1.630 178.020 176.300 0.150 0.000 0.966 503 D CA 0.508 54.620 54.000 0.187 0.000 0.868 503 D CB 0.134 41.130 40.800 0.327 0.000 0.943 503 D HN 0.501 nan 8.370 nan 0.000 0.514 504 M N -0.598 119.015 119.600 0.022 0.000 2.662 504 M HA 0.689 5.169 4.480 0.000 0.000 0.310 504 M C -1.029 175.213 176.300 -0.096 0.000 1.204 504 M CA -0.849 54.314 55.300 -0.228 0.000 0.891 504 M CB 3.053 35.290 32.600 -0.604 0.000 1.732 504 M HN -0.371 nan 8.290 nan 0.000 0.467 505 E N 1.205 121.302 120.200 -0.172 0.000 2.263 505 E HA 0.509 4.859 4.350 0.000 0.000 0.268 505 E C -1.971 174.494 176.600 -0.225 0.000 0.884 505 E CA -0.659 55.673 56.400 -0.114 0.000 0.766 505 E CB 2.350 32.018 29.700 -0.053 0.000 1.196 505 E HN 0.637 nan 8.360 nan 0.000 0.416 506 V N 6.386 126.107 119.914 -0.321 0.000 2.455 506 V HA 0.308 4.428 4.120 0.000 0.000 0.273 506 V C 0.379 176.368 176.094 -0.175 0.000 1.045 506 V CA -0.115 61.919 62.300 -0.442 0.000 0.976 506 V CB -0.044 31.305 31.823 -0.790 0.000 0.993 506 V HN 0.617 nan 8.190 nan 0.000 0.475 507 I N 0.936 121.455 120.570 -0.086 0.000 2.740 507 I HA 0.664 4.835 4.170 0.000 0.000 0.303 507 I C -0.129 176.062 176.117 0.122 0.000 1.044 507 I CA -0.791 60.525 61.300 0.027 0.000 1.064 507 I CB 2.024 40.042 38.000 0.030 0.000 1.249 507 I HN 0.530 nan 8.210 nan 0.000 0.433 508 D N 2.006 122.483 120.400 0.128 0.000 2.746 508 D HA -0.265 4.375 4.640 0.000 0.000 0.236 508 D C -1.047 175.377 176.300 0.207 0.000 1.129 508 D CA 0.959 55.057 54.000 0.163 0.000 0.691 508 D CB -1.180 39.757 40.800 0.229 0.000 1.077 508 D HN 0.645 nan 8.370 nan 0.000 0.432 509 Y N 0.835 121.142 120.300 0.012 0.000 2.404 509 Y HA 0.477 5.027 4.550 0.000 0.000 0.344 509 Y C -0.081 175.825 175.900 0.010 0.000 0.970 509 Y CA -1.339 56.759 58.100 -0.003 0.000 1.180 509 Y CB 0.908 39.344 38.460 -0.041 0.000 1.138 509 Y HN 0.113 nan 8.280 nan 0.000 0.510 510 A N 9.292 132.002 122.820 -0.183 0.000 3.204 510 A HA 0.439 4.759 4.320 0.000 0.000 0.327 510 A C -2.749 174.624 177.584 -0.352 0.000 0.998 510 A CA -1.362 50.530 52.037 -0.241 0.000 0.891 510 A CB -0.493 18.445 19.000 -0.103 0.000 1.061 510 A HN 0.530 nan 8.150 nan 0.000 0.478 511 P HA 0.202 nan 4.420 nan 0.000 0.274 511 P C -0.523 176.673 177.300 -0.173 0.000 1.246 511 P CA -0.026 62.869 63.100 -0.342 0.000 0.795 511 P CB 0.619 32.043 31.700 -0.460 0.000 1.006 512 Y N 0.509 120.766 120.300 -0.072 0.000 2.385 512 Y HA 0.141 4.691 4.550 0.000 0.000 0.346 512 Y C -1.136 174.751 175.900 -0.022 0.000 1.270 512 Y CA -0.956 57.129 58.100 -0.026 0.000 1.472 512 Y CB -1.168 37.294 38.460 0.003 0.000 1.354 512 Y HN 0.356 nan 8.280 nan 0.000 0.611 513 P HA 0.091 nan 4.420 nan 0.000 0.273 513 P C -2.545 174.812 177.300 0.095 0.000 1.250 513 P CA -1.047 62.110 63.100 0.095 0.000 0.793 513 P CB -0.216 31.534 31.700 0.082 0.000 1.011 514 P HA 0.367 nan 4.420 nan 0.000 0.278 514 P C -1.527 175.793 177.300 0.034 0.000 1.238 514 P CA -0.193 62.935 63.100 0.046 0.000 0.794 514 P CB 1.567 33.284 31.700 0.030 0.000 0.955 515 I N 0.000 120.582 120.570 0.021 0.000 2.984 515 I HA 0.000 4.170 4.170 0.000 0.000 0.288 515 I CA 0.000 61.303 61.300 0.004 0.000 1.566 515 I CB 0.000 38.005 38.000 0.009 0.000 1.214 515 I HN 0.000 nan 8.210 nan 0.000 0.494