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 3cl9_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDX XXXXXXXNLH 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 YPP 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 0.000 174.444 174.600 -0.260 0.000 1.055 2 S CA 0.000 58.135 58.200 -0.109 0.000 1.107 2 S CB 0.000 63.105 63.200 -0.158 0.000 0.593 3 L N 0.336 121.486 121.223 -0.121 0.000 2.619 3 L HA -0.092 4.236 4.340 -0.021 0.000 0.533 3 L C 0.319 177.046 176.870 -0.239 0.000 1.002 3 L CA 0.109 54.887 54.840 -0.104 0.000 1.266 3 L CB -2.371 39.589 42.059 -0.166 0.000 1.549 3 L HN 1.243 nan 8.230 nan 0.000 0.778 4 F N -0.714 119.251 119.950 0.024 0.000 2.485 4 F HA -0.221 4.294 4.527 -0.021 0.000 0.724 4 F C 1.596 177.413 175.800 0.028 0.000 0.487 4 F CA 1.307 59.319 58.000 0.018 0.000 0.939 4 F CB -1.410 37.591 39.000 0.002 0.000 1.755 4 F HN 0.733 nan 8.300 nan 0.000 0.272 5 K N 1.345 121.872 120.400 0.212 0.000 2.181 5 K HA 0.431 4.738 4.320 -0.021 0.000 0.239 5 K C -0.017 176.745 176.600 0.269 0.000 1.073 5 K CA 0.094 56.485 56.287 0.173 0.000 0.839 5 K CB 0.111 32.607 32.500 -0.007 0.000 1.116 5 K HN 0.172 nan 8.250 nan 0.000 0.518 6 I N 1.232 121.981 120.570 0.298 0.000 2.339 6 I HA 0.231 4.388 4.170 -0.021 0.000 0.290 6 I C -0.037 176.222 176.117 0.235 0.000 0.994 6 I CA -0.574 60.855 61.300 0.214 0.000 1.191 6 I CB 1.608 39.674 38.000 0.110 0.000 1.343 6 I HN 0.403 nan 8.210 nan 0.000 0.458 7 R N 6.919 127.452 120.500 0.055 0.000 2.265 7 R HA 0.425 4.753 4.340 -0.021 0.000 0.314 7 R C -0.336 175.848 176.300 -0.194 0.000 1.053 7 R CA -0.666 55.264 56.100 -0.284 0.000 0.931 7 R CB 0.719 30.834 30.300 -0.309 0.000 1.024 7 R HN 0.463 nan 8.270 nan 0.000 0.457 8 M N 5.253 124.713 119.600 -0.233 0.000 2.240 8 M HA 0.228 4.696 4.480 -0.021 0.000 0.333 8 M C -1.740 174.483 176.300 -0.127 0.000 1.110 8 M CA -2.224 53.004 55.300 -0.120 0.000 1.173 8 M CB 0.085 32.645 32.600 -0.067 0.000 1.458 8 M HN 0.605 nan 8.290 nan 0.000 0.458 9 P HA 0.216 nan 4.420 nan 0.000 0.279 9 P C -0.201 177.055 177.300 -0.074 0.000 1.282 9 P CA -0.087 62.966 63.100 -0.079 0.000 0.788 9 P CB 0.656 32.318 31.700 -0.064 0.000 1.139 10 E N -0.249 119.914 120.200 -0.062 0.000 2.012 10 E HA 0.010 4.348 4.350 -0.021 0.000 0.192 10 E C 0.704 177.278 176.600 -0.043 0.000 0.977 10 E CA 1.328 57.696 56.400 -0.053 0.000 0.832 10 E CB -1.450 28.223 29.700 -0.045 0.000 0.790 10 E HN 0.457 nan 8.360 nan 0.000 0.466 11 T N 1.550 116.083 114.554 -0.035 0.000 2.810 11 T HA 0.435 4.772 4.350 -0.021 0.000 0.277 11 T C 0.331 175.013 174.700 -0.030 0.000 0.973 11 T CA -0.614 61.470 62.100 -0.027 0.000 0.949 11 T CB 1.002 69.858 68.868 -0.020 0.000 1.075 11 T HN 0.092 nan 8.240 nan 0.000 0.537 12 V N -0.379 119.521 119.914 -0.023 0.000 2.881 12 V HA 0.631 4.739 4.120 -0.021 0.000 0.303 12 V C 0.792 176.875 176.094 -0.018 0.000 1.070 12 V CA -1.618 60.667 62.300 -0.024 0.000 1.074 12 V CB -0.534 31.282 31.823 -0.011 0.000 1.012 12 V HN 1.069 nan 8.190 nan 0.000 0.482 13 A N 1.840 124.649 122.820 -0.019 0.000 2.603 13 A HA 0.035 4.342 4.320 -0.021 0.000 0.235 13 A C 0.584 178.165 177.584 -0.004 0.000 1.035 13 A CA 0.236 52.265 52.037 -0.013 0.000 0.755 13 A CB -0.502 18.493 19.000 -0.008 0.000 0.954 13 A HN 1.043 nan 8.150 nan 0.000 0.511 14 E N 1.182 121.379 120.200 -0.006 0.000 2.480 14 E HA 0.297 4.635 4.350 -0.021 0.000 0.258 14 E C 1.093 177.696 176.600 0.005 0.000 0.984 14 E CA 0.989 57.387 56.400 -0.002 0.000 0.930 14 E CB 0.034 29.731 29.700 -0.005 0.000 0.936 14 E HN 1.547 nan 8.360 nan 0.000 0.466 15 G N 3.624 112.429 108.800 0.007 0.000 2.354 15 G HA2 -0.258 3.690 3.960 -0.021 0.000 0.278 15 G HA3 -0.258 3.690 3.960 -0.021 0.000 0.278 15 G C 0.032 174.942 174.900 0.017 0.000 0.953 15 G CA 0.695 45.803 45.100 0.012 0.000 1.346 15 G HN 0.529 nan 8.290 nan 0.000 0.467 16 T N -0.317 114.248 114.554 0.018 0.000 2.952 16 T HA 0.633 4.970 4.350 -0.021 0.000 0.286 16 T C 1.015 175.734 174.700 0.031 0.000 1.024 16 T CA -0.497 61.617 62.100 0.024 0.000 1.029 16 T CB 0.486 69.365 68.868 0.018 0.000 1.094 16 T HN 0.901 nan 8.240 nan 0.000 0.515 17 R N 3.377 123.902 120.500 0.041 0.000 2.357 17 R HA 0.326 4.654 4.340 -0.021 0.000 0.330 17 R C 0.003 176.330 176.300 0.044 0.000 1.102 17 R CA -0.159 55.969 56.100 0.046 0.000 0.974 17 R CB -0.740 29.597 30.300 0.062 0.000 1.002 17 R HN 0.493 nan 8.270 nan 0.000 0.463 18 L N 3.588 124.831 121.223 0.033 0.000 2.565 18 L HA 0.174 4.502 4.340 -0.021 0.000 0.275 18 L C 0.155 177.041 176.870 0.027 0.000 1.137 18 L CA -0.224 54.634 54.840 0.031 0.000 0.915 18 L CB 0.103 42.175 42.059 0.022 0.000 1.232 18 L HN 1.003 nan 8.230 nan 0.000 0.473 19 A N 6.625 129.469 122.820 0.039 0.000 2.592 19 A HA 0.043 4.350 4.320 -0.021 0.000 0.250 19 A C -0.117 177.466 177.584 -0.003 0.000 1.017 19 A CA 0.600 52.654 52.037 0.029 0.000 0.794 19 A CB -0.263 18.769 19.000 0.053 0.000 0.917 19 A HN 0.767 nan 8.150 nan 0.000 0.515 20 L N 1.605 122.802 121.223 -0.043 0.000 2.298 20 L HA 0.744 5.071 4.340 -0.021 0.000 0.268 20 L C 0.502 177.313 176.870 -0.099 0.000 1.010 20 L CA -1.115 53.685 54.840 -0.065 0.000 0.812 20 L CB 1.422 43.438 42.059 -0.071 0.000 1.331 20 L HN 0.805 nan 8.230 nan 0.000 0.450 21 R N 0.512 120.971 120.500 -0.069 0.000 2.664 21 R HA 0.700 5.027 4.340 -0.021 0.000 0.286 21 R C -0.880 175.420 176.300 0.001 0.000 0.967 21 R CA -0.294 55.778 56.100 -0.046 0.000 0.933 21 R CB 1.699 31.990 30.300 -0.015 0.000 1.146 21 R HN 0.666 nan 8.270 nan 0.000 0.468 22 A N 3.448 126.274 122.820 0.011 0.000 2.302 22 A HA 0.621 4.928 4.320 -0.021 0.000 0.285 22 A C -0.861 176.862 177.584 0.231 0.000 1.105 22 A CA -0.354 51.760 52.037 0.128 0.000 0.816 22 A CB 0.082 19.170 19.000 0.148 0.000 1.067 22 A HN 0.645 nan 8.150 nan 0.000 0.489 23 F N -0.774 119.187 119.950 0.019 0.000 2.675 23 F HA 0.869 5.385 4.527 -0.019 0.000 0.324 23 F C -0.211 175.621 175.800 0.054 0.000 1.106 23 F CA -1.228 56.770 58.000 -0.004 0.000 0.970 23 F CB 1.047 40.054 39.000 0.012 0.000 1.385 23 F HN 0.370 nan 8.300 nan 0.000 0.489 24 S N 0.976 116.758 115.700 0.137 0.000 2.568 24 S HA 0.746 5.204 4.470 -0.021 0.000 0.293 24 S C -1.571 173.288 174.600 0.431 0.000 1.089 24 S CA -0.689 57.628 58.200 0.194 0.000 0.945 24 S CB 2.023 65.397 63.200 0.290 0.000 1.077 24 S HN 0.870 nan 8.310 nan 0.000 0.485 25 L N 2.451 123.907 121.223 0.389 0.000 2.362 25 L HA 0.739 5.066 4.340 -0.021 0.000 0.275 25 L C -1.537 175.537 176.870 0.339 0.000 0.998 25 L CA -0.652 54.420 54.840 0.388 0.000 0.820 25 L CB 1.283 43.527 42.059 0.308 0.000 1.270 25 L HN 0.519 nan 8.230 nan 0.000 0.415 26 V N 5.075 125.166 119.914 0.295 0.000 2.459 26 V HA 0.739 4.847 4.120 -0.021 0.000 0.295 26 V C -0.433 175.755 176.094 0.157 0.000 1.029 26 V CA -0.670 61.761 62.300 0.217 0.000 0.874 26 V CB 1.512 33.381 31.823 0.077 0.000 0.985 26 V HN 0.554 nan 8.190 nan 0.000 0.438 27 V N 3.046 122.981 119.914 0.036 0.000 3.077 27 V HA 0.899 5.007 4.120 -0.021 0.000 0.299 27 V C -0.753 175.311 176.094 -0.048 0.000 1.276 27 V CA -0.050 62.160 62.300 -0.150 0.000 0.993 27 V CB 2.429 33.716 31.823 -0.893 0.000 1.076 27 V HN 1.279 nan 8.190 nan 0.000 0.434 28 A N 4.649 127.486 122.820 0.029 0.000 2.330 28 A HA 0.963 5.271 4.320 -0.021 0.000 0.327 28 A C -0.736 176.897 177.584 0.081 0.000 1.155 28 A CA -0.089 51.994 52.037 0.076 0.000 0.803 28 A CB 1.687 20.848 19.000 0.268 0.000 1.208 28 A HN 1.960 nan 8.150 nan 0.000 0.477 29 V N 0.007 119.847 119.914 -0.124 0.000 3.007 29 V HA 0.757 4.865 4.120 -0.021 0.000 0.311 29 V C -0.646 175.179 176.094 -0.449 0.000 1.120 29 V CA -0.981 61.242 62.300 -0.128 0.000 0.980 29 V CB 1.695 33.489 31.823 -0.050 0.000 1.033 29 V HN 0.958 nan 8.190 nan 0.000 0.429 30 D N 0.877 121.054 120.400 -0.371 0.000 2.398 30 D HA 0.237 4.865 4.640 -0.021 0.000 0.247 30 D C 0.753 176.956 176.300 -0.161 0.000 1.227 30 D CA -0.183 53.612 54.000 -0.341 0.000 0.980 30 D CB 0.659 41.368 40.800 -0.153 0.000 1.106 30 D HN 0.689 nan 8.370 nan 0.000 0.493 31 E N -1.074 119.064 120.200 -0.105 0.000 2.204 31 E HA -0.160 4.178 4.350 -0.021 0.000 0.195 31 E C 1.847 178.477 176.600 0.049 0.000 0.990 31 E CA 0.841 57.228 56.400 -0.022 0.000 0.821 31 E CB -0.039 29.660 29.700 -0.002 0.000 0.750 31 E HN 0.365 nan 8.360 nan 0.000 0.477 32 R N -0.499 120.053 120.500 0.086 0.000 2.235 32 R HA 0.040 4.368 4.340 -0.021 0.000 0.213 32 R C 1.164 177.663 176.300 0.332 0.000 1.059 32 R CA 0.683 56.918 56.100 0.225 0.000 0.997 32 R CB 0.102 30.592 30.300 0.317 0.000 0.884 32 R HN 0.208 nan 8.270 nan 0.000 0.462 33 G N 0.593 109.482 108.800 0.148 0.000 2.164 33 G HA2 -0.180 3.767 3.960 -0.021 0.000 0.212 33 G HA3 -0.180 3.767 3.960 -0.021 0.000 0.212 33 G C 0.094 174.962 174.900 -0.053 0.000 1.031 33 G CA -0.302 44.895 45.100 0.162 0.000 0.730 33 G HN 0.559 nan 8.290 nan 0.000 0.501 34 G N -0.701 107.908 108.800 -0.319 0.000 2.389 34 G HA2 0.756 4.703 3.960 -0.021 0.000 0.328 34 G HA3 0.756 4.703 3.960 -0.021 0.000 0.328 34 G C 1.000 175.886 174.900 -0.022 0.000 1.133 34 G CA -0.367 44.399 45.100 -0.556 0.000 0.891 34 G HN 1.065 nan 8.290 nan 0.000 0.485 35 I N -1.021 119.532 120.570 -0.027 0.000 4.244 35 I HA 0.585 4.743 4.170 -0.021 0.000 0.318 35 I C 0.703 176.745 176.117 -0.125 0.000 1.282 35 I CA -0.186 61.167 61.300 0.089 0.000 1.276 35 I CB 1.157 39.240 38.000 0.138 0.000 1.183 35 I HN 0.644 nan 8.210 nan 0.000 0.431 36 G N 3.068 111.778 108.800 -0.149 0.000 2.289 36 G HA2 0.124 4.072 3.960 -0.021 0.000 0.315 36 G HA3 0.124 4.072 3.960 -0.021 0.000 0.315 36 G C -1.444 173.378 174.900 -0.129 0.000 1.587 36 G CA -0.483 44.487 45.100 -0.216 0.000 0.949 36 G HN 0.274 nan 8.290 nan 0.000 0.626 37 D N 2.143 122.464 120.400 -0.130 0.000 2.422 37 D HA 0.337 4.965 4.640 -0.021 0.000 0.263 37 D C 1.381 177.651 176.300 -0.049 0.000 1.334 37 D CA 0.842 54.801 54.000 -0.068 0.000 1.105 37 D CB 0.290 41.056 40.800 -0.057 0.000 1.107 37 D HN 1.470 nan 8.370 nan 0.000 0.522 38 G N 4.184 112.969 108.800 -0.025 0.000 2.687 38 G HA2 -0.362 3.586 3.960 -0.021 0.000 0.303 38 G HA3 -0.362 3.586 3.960 -0.021 0.000 0.303 38 G C 0.149 175.029 174.900 -0.033 0.000 1.209 38 G CA 0.133 45.224 45.100 -0.015 0.000 0.968 38 G HN 0.648 nan 8.290 nan 0.000 0.549 39 R N 1.566 122.041 120.500 -0.042 0.000 2.582 39 R HA 0.541 4.869 4.340 -0.021 0.000 0.271 39 R C 1.175 177.420 176.300 -0.092 0.000 1.078 39 R CA 0.823 56.889 56.100 -0.057 0.000 1.127 39 R CB 1.251 31.522 30.300 -0.047 0.000 1.038 39 R HN 2.103 nan 8.270 nan 0.000 0.500 40 S N 1.009 116.643 115.700 -0.110 0.000 3.426 40 S HA -0.260 4.197 4.470 -0.021 0.000 0.630 40 S C -0.238 174.219 174.600 -0.240 0.000 2.670 40 S CA 0.408 58.511 58.200 -0.161 0.000 3.374 40 S CB -0.957 62.150 63.200 -0.154 0.000 0.296 40 S HN 0.530 nan 8.310 nan 0.000 1.445 41 I N 1.187 121.559 120.570 -0.331 0.000 2.656 41 I HA 0.484 4.641 4.170 -0.021 0.000 0.292 41 I C -1.914 173.855 176.117 -0.579 0.000 1.144 41 I CA -1.892 59.057 61.300 -0.584 0.000 1.038 41 I CB 2.500 40.086 38.000 -0.691 0.000 1.244 41 I HN 0.511 nan 8.210 nan 0.000 0.420 42 P HA 0.014 nan 4.420 nan 0.000 0.217 42 P C -0.486 176.697 177.300 -0.194 0.000 1.154 42 P CA 0.779 63.688 63.100 -0.320 0.000 0.841 42 P CB 0.006 31.626 31.700 -0.132 0.000 0.790 43 W N 0.615 121.884 121.300 -0.053 0.000 2.390 43 W HA 0.528 5.175 4.660 -0.021 0.000 0.362 43 W C -0.335 176.152 176.519 -0.054 0.000 1.206 43 W CA -1.093 56.223 57.345 -0.049 0.000 1.355 43 W CB -0.099 29.328 29.460 -0.054 0.000 1.278 43 W HN -0.228 nan 8.180 nan 0.000 0.653 44 N N 1.047 119.917 118.700 0.283 0.000 2.576 44 N HA 0.394 5.122 4.740 -0.021 0.000 0.269 44 N C -2.122 173.487 175.510 0.165 0.000 1.058 44 N CA -0.471 52.682 53.050 0.171 0.000 0.860 44 N CB 1.352 39.874 38.487 0.058 0.000 1.249 44 N HN 0.403 nan 8.380 nan 0.000 0.525 45 V N 5.120 125.141 119.914 0.178 0.000 2.349 45 V HA 0.345 4.453 4.120 -0.021 0.000 0.284 45 V C -1.721 174.367 176.094 -0.010 0.000 1.014 45 V CA -1.411 60.904 62.300 0.026 0.000 0.826 45 V CB 1.401 33.158 31.823 -0.109 0.000 1.009 45 V HN 0.591 nan 8.190 nan 0.000 0.431 46 P HA -0.053 nan 4.420 nan 0.000 0.222 46 P C 1.172 178.468 177.300 -0.006 0.000 1.147 46 P CA 0.835 63.938 63.100 0.005 0.000 0.790 46 P CB 0.539 32.253 31.700 0.024 0.000 0.780 47 E N -0.629 119.526 120.200 -0.076 0.000 2.152 47 E HA -0.163 4.175 4.350 -0.021 0.000 0.192 47 E C 1.715 178.329 176.600 0.023 0.000 0.983 47 E CA 1.002 57.367 56.400 -0.059 0.000 0.818 47 E CB -0.864 28.695 29.700 -0.236 0.000 0.758 47 E HN 0.267 nan 8.360 nan 0.000 0.467 48 D N -0.523 119.837 120.400 -0.066 0.000 2.117 48 D HA -0.185 4.443 4.640 -0.021 0.000 0.197 48 D C 1.728 178.145 176.300 0.195 0.000 0.987 48 D CA 1.027 55.106 54.000 0.132 0.000 0.829 48 D CB 0.054 40.892 40.800 0.063 0.000 0.961 48 D HN -0.008 nan 8.370 nan 0.000 0.460 49 M N 0.578 120.230 119.600 0.086 0.000 2.080 49 M HA -0.111 4.357 4.480 -0.021 0.000 0.260 49 M C 2.006 178.356 176.300 0.083 0.000 1.068 49 M CA 1.630 56.960 55.300 0.050 0.000 1.109 49 M CB -0.583 32.008 32.600 -0.014 0.000 1.342 49 M HN 0.004 nan 8.290 nan 0.000 0.405 50 K N -1.219 119.219 120.400 0.064 0.000 2.009 50 K HA -0.225 4.082 4.320 -0.021 0.000 0.210 50 K C 2.012 178.624 176.600 0.019 0.000 1.049 50 K CA 1.800 58.106 56.287 0.031 0.000 0.929 50 K CB -0.610 31.918 32.500 0.046 0.000 0.714 50 K HN 0.263 nan 8.250 nan 0.000 0.440 51 F N 0.792 120.690 119.950 -0.085 0.000 2.202 51 F HA -0.165 4.349 4.527 -0.021 0.000 0.301 51 F C 1.741 177.423 175.800 -0.198 0.000 1.082 51 F CA 1.346 59.205 58.000 -0.235 0.000 1.313 51 F CB -0.301 38.424 39.000 -0.459 0.000 1.024 51 F HN 0.155 nan 8.300 nan 0.000 0.495 52 F N 1.064 120.929 119.950 -0.141 0.000 2.060 52 F HA -0.132 4.383 4.527 -0.021 0.000 0.295 52 F C 2.779 178.362 175.800 -0.362 0.000 1.120 52 F CA 2.136 59.990 58.000 -0.243 0.000 1.205 52 F CB -0.804 38.136 39.000 -0.101 0.000 0.986 52 F HN -0.150 nan 8.300 nan 0.000 0.470 53 R N 0.410 120.871 120.500 -0.064 0.000 2.133 53 R HA -0.235 4.092 4.340 -0.021 0.000 0.245 53 R C 1.871 177.935 176.300 -0.393 0.000 1.137 53 R CA 2.481 58.459 56.100 -0.204 0.000 0.947 53 R CB -0.760 29.455 30.300 -0.142 0.000 0.865 53 R HN 0.352 nan 8.270 nan 0.000 0.437 54 D N -0.432 119.721 120.400 -0.412 0.000 2.149 54 D HA -0.089 4.538 4.640 -0.021 0.000 0.201 54 D C 1.993 177.941 176.300 -0.586 0.000 0.972 54 D CA 0.893 54.639 54.000 -0.424 0.000 0.835 54 D CB -0.156 40.432 40.800 -0.354 0.000 0.966 54 D HN 0.111 nan 8.370 nan 0.000 0.476 55 V N 1.529 120.914 119.914 -0.881 0.000 2.295 55 V HA -0.224 3.883 4.120 -0.021 0.000 0.246 55 V C 2.693 178.137 176.094 -1.084 0.000 1.049 55 V CA 2.280 63.939 62.300 -1.069 0.000 1.024 55 V CB -0.866 30.088 31.823 -1.448 0.000 0.648 55 V HN 0.365 nan 8.190 nan 0.000 0.447 56 T N -3.541 110.351 114.554 -1.104 0.000 2.904 56 T HA -0.153 4.184 4.350 -0.021 0.000 0.267 56 T C 1.780 176.218 174.700 -0.437 0.000 1.059 56 T CA 1.817 63.317 62.100 -0.999 0.000 1.137 56 T CB -0.426 67.856 68.868 -0.977 0.000 0.879 56 T HN 0.427 nan 8.240 nan 0.000 0.467 57 T N 1.434 115.767 114.554 -0.369 0.000 2.781 57 T HA 0.108 4.445 4.350 -0.021 0.000 0.252 57 T C 0.781 175.404 174.700 -0.129 0.000 1.039 57 T CA 0.544 62.529 62.100 -0.191 0.000 1.147 57 T CB -0.127 68.635 68.868 -0.177 0.000 0.865 57 T HN 0.390 nan 8.240 nan 0.000 0.423 58 K N 2.137 122.434 120.400 -0.171 0.000 2.416 58 K HA 0.268 4.576 4.320 -0.021 0.000 0.283 58 K C -0.308 176.253 176.600 -0.064 0.000 1.037 58 K CA -0.109 56.109 56.287 -0.116 0.000 0.995 58 K CB 0.471 32.886 32.500 -0.142 0.000 0.938 58 K HN 0.253 nan 8.250 nan 0.000 0.475 59 L N 2.939 124.139 121.223 -0.038 0.000 2.475 59 L HA 0.277 4.605 4.340 -0.021 0.000 0.253 59 L C 0.849 177.704 176.870 -0.024 0.000 1.198 59 L CA -0.669 54.160 54.840 -0.018 0.000 0.814 59 L CB 0.245 42.297 42.059 -0.011 0.000 1.134 59 L HN 0.456 nan 8.230 nan 0.000 0.478 60 R N 0.059 120.547 120.500 -0.020 0.000 2.641 60 R HA 0.495 4.823 4.340 -0.021 0.000 0.269 60 R C 0.404 176.693 176.300 -0.019 0.000 1.074 60 R CA 0.634 56.718 56.100 -0.027 0.000 1.133 60 R CB 0.610 30.890 30.300 -0.034 0.000 1.029 60 R HN 0.880 nan 8.270 nan 0.000 0.488 61 G N 1.320 110.108 108.800 -0.020 0.000 2.445 61 G HA2 -0.176 3.771 3.960 -0.021 0.000 0.212 61 G HA3 -0.176 3.771 3.960 -0.021 0.000 0.212 61 G C -0.903 173.992 174.900 -0.009 0.000 1.217 61 G CA -0.743 44.351 45.100 -0.010 0.000 1.002 61 G HN 0.376 nan 8.290 nan 0.000 0.574 62 K N 0.771 121.168 120.400 -0.004 0.000 2.362 62 K HA 0.558 4.866 4.320 -0.021 0.000 0.245 62 K C 1.118 177.714 176.600 -0.007 0.000 1.040 62 K CA 0.163 56.448 56.287 -0.003 0.000 0.961 62 K CB -0.611 31.890 32.500 0.002 0.000 1.252 62 K HN 1.350 nan 8.250 nan 0.000 0.503 63 N N 0.674 119.370 118.700 -0.006 0.000 2.598 63 N HA 0.090 4.818 4.740 -0.021 0.000 0.300 63 N C -0.241 175.265 175.510 -0.006 0.000 1.224 63 N CA 0.139 53.184 53.050 -0.008 0.000 1.125 63 N CB -0.558 37.925 38.487 -0.006 0.000 1.468 63 N HN 0.257 nan 8.380 nan 0.000 0.504 64 V N 2.528 122.438 119.914 -0.007 0.000 2.259 64 V HA 0.223 4.330 4.120 -0.021 0.000 0.267 64 V C -0.022 176.068 176.094 -0.006 0.000 1.051 64 V CA -1.010 61.288 62.300 -0.003 0.000 0.830 64 V CB 0.393 32.216 31.823 0.000 0.000 1.080 64 V HN 0.584 nan 8.190 nan 0.000 0.467 65 K N 7.448 127.846 120.400 -0.005 0.000 2.491 65 K HA 0.145 4.453 4.320 -0.021 0.000 0.279 65 K C -2.277 174.323 176.600 -0.001 0.000 1.026 65 K CA -0.964 55.320 56.287 -0.005 0.000 1.070 65 K CB 0.837 33.336 32.500 -0.001 0.000 0.887 65 K HN 0.520 nan 8.250 nan 0.000 0.481 66 P HA 0.039 nan 4.420 nan 0.000 0.273 66 P C -0.342 176.964 177.300 0.011 0.000 1.428 66 P CA -0.311 62.791 63.100 0.004 0.000 0.995 66 P CB 0.321 32.021 31.700 -0.001 0.000 1.286 67 S N 3.833 119.541 115.700 0.014 0.000 2.652 67 S HA 0.374 4.832 4.470 -0.021 0.000 0.270 67 S C -1.522 173.094 174.600 0.025 0.000 1.243 67 S CA -1.299 56.912 58.200 0.018 0.000 0.999 67 S CB 0.415 63.624 63.200 0.016 0.000 0.973 67 S HN 0.065 nan 8.310 nan 0.000 0.544 68 P HA -0.149 nan 4.420 nan 0.000 0.218 68 P C 1.349 178.673 177.300 0.040 0.000 1.147 68 P CA 2.027 65.151 63.100 0.041 0.000 0.827 68 P CB -0.258 31.464 31.700 0.037 0.000 0.778 69 A N -1.709 121.128 122.820 0.028 0.000 2.014 69 A HA -0.082 4.226 4.320 -0.021 0.000 0.218 69 A C 1.244 178.844 177.584 0.028 0.000 1.163 69 A CA 1.038 53.089 52.037 0.024 0.000 0.652 69 A CB -0.488 18.523 19.000 0.018 0.000 0.808 69 A HN 0.130 nan 8.150 nan 0.000 0.449 70 K N -0.186 120.231 120.400 0.028 0.000 2.731 70 K HA 0.334 4.641 4.320 -0.021 0.000 0.257 70 K C -1.017 175.598 176.600 0.025 0.000 1.032 70 K CA -0.449 55.855 56.287 0.027 0.000 0.983 70 K CB 0.813 33.325 32.500 0.022 0.000 1.248 70 K HN 0.635 nan 8.250 nan 0.000 0.484 71 R N 0.920 121.438 120.500 0.030 0.000 2.810 71 R HA 0.469 4.797 4.340 -0.021 0.000 0.266 71 R C -1.093 175.221 176.300 0.023 0.000 1.061 71 R CA -1.111 55.004 56.100 0.025 0.000 0.943 71 R CB 0.786 31.104 30.300 0.030 0.000 1.237 71 R HN 0.165 nan 8.270 nan 0.000 0.459 72 N N -0.816 117.899 118.700 0.024 0.000 2.472 72 N HA 0.614 5.341 4.740 -0.021 0.000 0.289 72 N C -1.381 174.149 175.510 0.033 0.000 1.156 72 N CA -0.298 52.771 53.050 0.032 0.000 0.940 72 N CB 2.082 40.619 38.487 0.083 0.000 1.200 72 N HN 0.665 nan 8.380 nan 0.000 0.511 73 A N 0.631 123.464 122.820 0.022 0.000 2.371 73 A HA 0.588 4.896 4.320 -0.021 0.000 0.311 73 A C -0.558 177.060 177.584 0.057 0.000 1.068 73 A CA -0.687 51.355 52.037 0.009 0.000 0.744 73 A CB 0.838 19.803 19.000 -0.059 0.000 1.239 73 A HN 0.368 nan 8.150 nan 0.000 0.435 74 V N 0.388 120.341 119.914 0.065 0.000 2.459 74 V HA 0.827 4.935 4.120 -0.021 0.000 0.295 74 V C -0.510 175.619 176.094 0.059 0.000 1.029 74 V CA -0.719 61.644 62.300 0.105 0.000 0.874 74 V CB 1.150 33.047 31.823 0.123 0.000 0.985 74 V HN 0.603 nan 8.190 nan 0.000 0.438 75 V N 7.078 127.028 119.914 0.059 0.000 2.409 75 V HA 0.670 4.778 4.120 -0.021 0.000 0.291 75 V C 0.099 176.203 176.094 0.016 0.000 1.020 75 V CA -0.296 62.003 62.300 -0.002 0.000 0.848 75 V CB 1.438 33.224 31.823 -0.062 0.000 0.990 75 V HN 1.101 nan 8.190 nan 0.000 0.430 76 M N 3.739 123.340 119.600 0.002 0.000 2.550 76 M HA 0.849 5.316 4.480 -0.021 0.000 0.292 76 M C 0.089 176.373 176.300 -0.027 0.000 1.221 76 M CA -0.489 54.813 55.300 0.003 0.000 0.873 76 M CB 2.177 34.826 32.600 0.081 0.000 1.727 76 M HN 0.582 nan 8.290 nan 0.000 0.459 77 G N 1.044 109.818 108.800 -0.042 0.000 2.616 77 G HA2 0.276 4.224 3.960 -0.021 0.000 0.268 77 G HA3 0.276 4.224 3.960 -0.021 0.000 0.268 77 G C 0.313 175.223 174.900 0.016 0.000 1.213 77 G CA -0.509 44.569 45.100 -0.036 0.000 0.926 77 G HN 1.020 nan 8.290 nan 0.000 0.523 78 R N -0.271 120.238 120.500 0.015 0.000 2.082 78 R HA -0.088 4.240 4.340 -0.021 0.000 0.234 78 R C 2.435 178.807 176.300 0.120 0.000 1.136 78 R CA 1.566 57.707 56.100 0.068 0.000 0.935 78 R CB -0.273 30.048 30.300 0.036 0.000 0.842 78 R HN 0.450 nan 8.270 nan 0.000 0.430 79 K N -0.305 120.128 120.400 0.054 0.000 2.113 79 K HA -0.138 4.170 4.320 -0.021 0.000 0.208 79 K C 1.983 178.598 176.600 0.025 0.000 1.047 79 K CA 2.091 58.397 56.287 0.032 0.000 0.928 79 K CB -0.269 32.229 32.500 -0.003 0.000 0.716 79 K HN 0.383 nan 8.250 nan 0.000 0.446 80 T N 0.647 115.220 114.554 0.031 0.000 2.812 80 T HA -0.145 4.192 4.350 -0.021 0.000 0.264 80 T C 1.357 176.092 174.700 0.058 0.000 1.042 80 T CA 0.801 62.907 62.100 0.010 0.000 1.140 80 T CB -0.359 68.506 68.868 -0.004 0.000 0.870 80 T HN 0.466 nan 8.240 nan 0.000 0.445 81 W N 2.659 123.933 121.300 -0.044 0.000 2.325 81 W HA -0.222 4.426 4.660 -0.021 0.000 0.299 81 W C 1.067 177.572 176.519 -0.023 0.000 1.215 81 W CA 1.717 59.047 57.345 -0.025 0.000 1.244 81 W CB -0.432 29.018 29.460 -0.016 0.000 1.140 81 W HN 0.328 nan 8.180 nan 0.000 0.523 82 D N -0.023 120.363 120.400 -0.023 0.000 2.084 82 D HA -0.207 4.420 4.640 -0.021 0.000 0.194 82 D C 2.439 178.635 176.300 -0.175 0.000 0.990 82 D CA 2.371 56.295 54.000 -0.127 0.000 0.826 82 D CB -0.686 40.107 40.800 -0.011 0.000 0.971 82 D HN -0.086 nan 8.370 nan 0.000 0.453 83 S N -0.504 115.126 115.700 -0.118 0.000 2.420 83 S HA -0.100 4.357 4.470 -0.021 0.000 0.237 83 S C 0.721 175.225 174.600 -0.160 0.000 1.023 83 S CA 0.312 58.436 58.200 -0.127 0.000 0.991 83 S CB -0.413 62.718 63.200 -0.114 0.000 0.792 83 S HN 0.150 nan 8.310 nan 0.000 0.488 84 I N 3.725 124.174 120.570 -0.202 0.000 2.587 84 I HA 0.099 4.256 4.170 -0.021 0.000 0.284 84 I C -2.083 173.912 176.117 -0.204 0.000 1.134 84 I CA -1.784 59.393 61.300 -0.205 0.000 1.410 84 I CB 0.333 38.183 38.000 -0.251 0.000 1.392 84 I HN 0.106 nan 8.210 nan 0.000 0.545 85 P HA 0.086 nan 4.420 nan 0.000 0.267 85 P C -2.193 175.030 177.300 -0.128 0.000 1.205 85 P CA -1.384 61.648 63.100 -0.112 0.000 0.765 85 P CB 0.207 31.868 31.700 -0.066 0.000 0.828 86 P HA -0.210 nan 4.420 nan 0.000 0.219 86 P C 1.384 178.603 177.300 -0.134 0.000 1.144 86 P CA 1.875 64.885 63.100 -0.149 0.000 0.806 86 P CB -0.221 31.406 31.700 -0.122 0.000 0.771 87 K N -1.967 118.331 120.400 -0.169 0.000 2.283 87 K HA -0.046 4.262 4.320 -0.021 0.000 0.202 87 K C 0.601 176.975 176.600 -0.377 0.000 1.048 87 K CA 1.245 57.363 56.287 -0.283 0.000 0.948 87 K CB -0.489 31.788 32.500 -0.371 0.000 0.742 87 K HN 0.174 nan 8.250 nan 0.000 0.458 88 F N 1.433 121.331 119.950 -0.087 0.000 2.805 88 F HA 0.344 4.859 4.527 -0.020 0.000 0.317 88 F C -0.024 175.718 175.800 -0.098 0.000 1.146 88 F CA -1.038 56.918 58.000 -0.073 0.000 1.265 88 F CB 0.592 39.554 39.000 -0.063 0.000 0.992 88 F HN -0.119 nan 8.300 nan 0.000 0.511 89 R N 2.008 122.517 120.500 0.015 0.000 2.437 89 R HA 0.496 4.824 4.340 -0.021 0.000 0.310 89 R C -2.634 173.655 176.300 -0.018 0.000 0.955 89 R CA -1.611 54.421 56.100 -0.113 0.000 0.851 89 R CB 1.314 31.387 30.300 -0.379 0.000 1.161 89 R HN -0.098 nan 8.270 nan 0.000 0.446 90 P HA 0.126 nan 4.420 nan 0.000 0.277 90 P C -0.678 176.712 177.300 0.149 0.000 1.271 90 P CA -0.518 62.691 63.100 0.182 0.000 0.795 90 P CB 0.749 32.655 31.700 0.344 0.000 1.101 91 L N 2.091 123.416 121.223 0.169 0.000 2.477 91 L HA 0.167 4.495 4.340 -0.021 0.000 0.272 91 L C -1.701 175.225 176.870 0.094 0.000 1.157 91 L CA -1.419 53.492 54.840 0.118 0.000 0.889 91 L CB -0.460 41.680 42.059 0.135 0.000 1.158 91 L HN 0.281 nan 8.230 nan 0.000 0.473 92 P HA 0.136 nan 4.420 nan 0.000 0.275 92 P C 0.763 178.075 177.300 0.021 0.000 1.227 92 P CA 0.227 63.363 63.100 0.059 0.000 0.781 92 P CB 1.509 33.255 31.700 0.077 0.000 0.906 93 G N 2.438 111.253 108.800 0.025 0.000 2.199 93 G HA2 -0.228 3.720 3.960 -0.021 0.000 0.254 93 G HA3 -0.228 3.720 3.960 -0.021 0.000 0.254 93 G C 0.180 175.087 174.900 0.012 0.000 0.982 93 G CA -0.157 44.947 45.100 0.008 0.000 0.632 93 G HN 0.644 nan 8.290 nan 0.000 0.529 94 R N -0.884 119.632 120.500 0.027 0.000 2.837 94 R HA 0.684 5.012 4.340 -0.021 0.000 0.271 94 R C -0.420 175.910 176.300 0.051 0.000 0.993 94 R CA -1.001 55.119 56.100 0.032 0.000 0.931 94 R CB 1.719 32.034 30.300 0.024 0.000 1.206 94 R HN 0.102 nan 8.270 nan 0.000 0.474 95 L N 3.053 124.298 121.223 0.037 0.000 2.358 95 L HA 0.245 4.572 4.340 -0.021 0.000 0.274 95 L C -0.584 176.294 176.870 0.013 0.000 1.136 95 L CA -0.167 54.686 54.840 0.021 0.000 0.970 95 L CB -0.043 42.008 42.059 -0.013 0.000 1.314 95 L HN 0.584 nan 8.230 nan 0.000 0.427 96 N N 3.713 122.447 118.700 0.056 0.000 2.414 96 N HA 0.003 4.730 4.740 -0.021 0.000 0.268 96 N C -0.732 174.738 175.510 -0.066 0.000 1.286 96 N CA -0.005 53.086 53.050 0.069 0.000 0.896 96 N CB 1.090 39.711 38.487 0.225 0.000 1.093 96 N HN 0.278 nan 8.380 nan 0.000 0.480 97 V N 4.124 123.994 119.914 -0.073 0.000 2.325 97 V HA 0.167 4.275 4.120 -0.021 0.000 0.280 97 V C 0.029 176.037 176.094 -0.143 0.000 1.016 97 V CA -0.678 61.538 62.300 -0.140 0.000 0.818 97 V CB 1.424 33.160 31.823 -0.144 0.000 1.019 97 V HN 0.286 nan 8.190 nan 0.000 0.434 98 V N 6.526 126.300 119.914 -0.233 0.000 2.370 98 V HA 0.448 4.556 4.120 -0.021 0.000 0.279 98 V C 0.068 176.052 176.094 -0.183 0.000 1.029 98 V CA -0.675 61.491 62.300 -0.223 0.000 0.870 98 V CB 1.320 32.893 31.823 -0.418 0.000 0.984 98 V HN 0.715 nan 8.190 nan 0.000 0.451 99 L N 3.376 124.523 121.223 -0.125 0.000 2.380 99 L HA 0.810 5.137 4.340 -0.021 0.000 0.273 99 L C 0.312 177.127 176.870 -0.092 0.000 1.138 99 L CA 0.400 55.177 54.840 -0.105 0.000 0.832 99 L CB 0.862 42.869 42.059 -0.087 0.000 1.124 99 L HN 0.643 nan 8.230 nan 0.000 0.454 100 S N 0.126 115.775 115.700 -0.085 0.000 2.547 100 S HA 0.575 5.032 4.470 -0.021 0.000 0.270 100 S C -0.035 174.527 174.600 -0.064 0.000 1.150 100 S CA -0.057 58.102 58.200 -0.069 0.000 0.850 100 S CB 1.864 65.018 63.200 -0.078 0.000 1.118 100 S HN 0.764 nan 8.310 nan 0.000 0.461 101 S N 0.774 116.443 115.700 -0.052 0.000 2.819 101 S HA 0.174 4.632 4.470 -0.021 0.000 0.249 101 S C 0.970 175.536 174.600 -0.058 0.000 1.030 101 S CA 0.425 58.593 58.200 -0.053 0.000 1.052 101 S CB 0.098 63.274 63.200 -0.040 0.000 1.017 101 S HN 0.880 nan 8.310 nan 0.000 0.576 102 T N -0.785 113.734 114.554 -0.058 0.000 2.999 102 T HA 0.429 4.767 4.350 -0.021 0.000 0.247 102 T C 0.164 174.797 174.700 -0.112 0.000 1.012 102 T CA -0.052 62.010 62.100 -0.064 0.000 1.048 102 T CB -0.051 68.806 68.868 -0.019 0.000 1.020 102 T HN 0.172 nan 8.240 nan 0.000 0.478 103 L N 3.282 124.454 121.223 -0.085 0.000 2.346 103 L HA 0.629 4.957 4.340 -0.021 0.000 0.276 103 L C 0.516 177.329 176.870 -0.095 0.000 1.006 103 L CA -0.645 54.150 54.840 -0.075 0.000 0.817 103 L CB 1.252 43.348 42.059 0.060 0.000 1.272 103 L HN 0.432 nan 8.230 nan 0.000 0.421 104 T N -2.233 112.269 114.554 -0.086 0.000 2.884 104 T HA 0.347 4.685 4.350 -0.021 0.000 0.277 104 T C 1.265 175.963 174.700 -0.004 0.000 0.976 104 T CA -0.123 61.947 62.100 -0.050 0.000 0.956 104 T CB 0.831 69.668 68.868 -0.053 0.000 1.113 104 T HN 0.574 nan 8.240 nan 0.000 0.554 105 T N 0.845 115.385 114.554 -0.023 0.000 2.635 105 T HA -0.168 4.169 4.350 -0.021 0.000 0.267 105 T C 2.096 176.799 174.700 0.005 0.000 1.040 105 T CA 1.470 63.550 62.100 -0.032 0.000 1.156 105 T CB -0.380 68.478 68.868 -0.018 0.000 0.863 105 T HN 0.552 nan 8.240 nan 0.000 0.430 106 Q N 0.140 119.966 119.800 0.043 0.000 2.079 106 Q HA -0.106 4.222 4.340 -0.021 0.000 0.200 106 Q C 2.207 178.253 176.000 0.076 0.000 0.974 106 Q CA 1.312 57.149 55.803 0.058 0.000 0.840 106 Q CB -0.449 28.326 28.738 0.063 0.000 0.898 106 Q HN 0.639 nan 8.270 nan 0.000 0.430 107 H N 0.186 119.250 119.070 -0.010 0.000 2.518 107 H HA -0.030 4.514 4.556 -0.021 0.000 0.292 107 H C 1.686 177.024 175.328 0.017 0.000 1.068 107 H CA 0.998 57.046 56.048 -0.000 0.000 1.275 107 H CB 0.142 29.897 29.762 -0.011 0.000 1.375 107 H HN 0.095 nan 8.280 nan 0.000 0.563 108 L N -0.977 120.298 121.223 0.087 0.000 2.388 108 L HA 0.114 4.442 4.340 -0.021 0.000 0.209 108 L C 0.272 177.232 176.870 0.151 0.000 1.061 108 L CA -0.102 54.791 54.840 0.089 0.000 0.834 108 L CB 0.191 42.190 42.059 -0.099 0.000 1.029 108 L HN 0.029 nan 8.230 nan 0.000 0.473 109 L N 3.133 124.415 121.223 0.098 0.000 2.827 109 L HA -0.072 4.255 4.340 -0.021 0.000 0.280 109 L C -0.787 176.153 176.870 0.116 0.000 1.122 109 L CA 0.487 55.403 54.840 0.126 0.000 1.044 109 L CB -1.167 40.944 42.059 0.087 0.000 1.402 109 L HN 0.375 nan 8.230 nan 0.000 0.467 120 L N -0.060 121.222 121.223 0.098 0.000 5.111 120 L HA 0.423 4.751 4.340 -0.021 0.000 0.247 120 L C -2.350 174.603 176.870 0.138 0.000 1.105 120 L CA -0.761 54.197 54.840 0.197 0.000 0.992 120 L CB 0.151 42.338 42.059 0.213 0.000 1.726 120 L HN 0.575 nan 8.230 nan 0.000 0.430 121 H N 2.011 121.101 119.070 0.032 0.000 4.782 121 H HA 0.786 5.329 4.556 -0.021 0.000 0.703 121 H C -1.622 173.731 175.328 0.042 0.000 1.939 121 H CA 0.056 56.128 56.048 0.038 0.000 1.630 121 H CB -0.096 29.683 29.762 0.028 0.000 3.380 121 H HN 1.291 nan 8.280 nan 0.000 0.524 122 A N 2.666 125.519 122.820 0.055 0.000 2.459 122 A HA 0.503 4.811 4.320 -0.021 0.000 0.296 122 A C -0.695 176.932 177.584 0.071 0.000 1.039 122 A CA -0.641 51.410 52.037 0.024 0.000 0.698 122 A CB 1.024 20.011 19.000 -0.021 0.000 1.261 122 A HN 0.767 nan 8.150 nan 0.000 0.405 123 D N 1.357 121.798 120.400 0.068 0.000 2.994 123 D HA 0.252 4.880 4.640 -0.021 0.000 0.240 123 D C 0.178 176.518 176.300 0.066 0.000 1.195 123 D CA 0.118 54.159 54.000 0.069 0.000 0.957 123 D CB 0.273 41.111 40.800 0.065 0.000 1.105 123 D HN 0.074 nan 8.370 nan 0.000 0.477 124 S N 0.241 115.984 115.700 0.072 0.000 2.618 124 S HA 0.264 4.721 4.470 -0.021 0.000 0.242 124 S C 0.252 174.885 174.600 0.056 0.000 0.972 124 S CA -0.706 57.537 58.200 0.072 0.000 1.004 124 S CB -0.642 62.606 63.200 0.080 0.000 0.778 124 S HN 0.641 nan 8.310 nan 0.000 0.459 125 I N -2.000 118.585 120.570 0.026 0.000 2.969 125 I HA 0.806 4.963 4.170 -0.021 0.000 0.307 125 I C -1.364 174.712 176.117 -0.069 0.000 1.149 125 I CA -0.882 60.385 61.300 -0.056 0.000 1.008 125 I CB 2.071 39.978 38.000 -0.155 0.000 1.232 125 I HN -0.186 nan 8.210 nan 0.000 0.435 126 V N 4.518 124.354 119.914 -0.130 0.000 2.711 126 V HA 0.794 4.902 4.120 -0.021 0.000 0.304 126 V C -0.118 175.875 176.094 -0.168 0.000 1.097 126 V CA -0.214 62.020 62.300 -0.110 0.000 0.906 126 V CB 1.676 33.454 31.823 -0.075 0.000 1.015 126 V HN 1.125 nan 8.190 nan 0.000 0.427 127 A N 4.754 127.484 122.820 -0.149 0.000 2.310 127 A HA 0.885 5.193 4.320 -0.021 0.000 0.299 127 A C -0.644 176.874 177.584 -0.109 0.000 1.147 127 A CA -0.398 51.545 52.037 -0.156 0.000 0.818 127 A CB 1.178 20.090 19.000 -0.146 0.000 1.096 127 A HN 0.834 nan 8.150 nan 0.000 0.495 128 V N 2.163 122.012 119.914 -0.108 0.000 2.735 128 V HA 0.257 4.365 4.120 -0.021 0.000 0.310 128 V C 0.939 176.989 176.094 -0.073 0.000 1.061 128 V CA -0.606 61.644 62.300 -0.083 0.000 0.913 128 V CB 1.796 33.566 31.823 -0.088 0.000 1.005 128 V HN 1.006 nan 8.190 nan 0.000 0.428 129 N N 2.039 120.705 118.700 -0.058 0.000 2.396 129 N HA 0.044 4.772 4.740 -0.021 0.000 0.180 129 N C 0.852 176.334 175.510 -0.046 0.000 1.028 129 N CA 1.225 54.244 53.050 -0.051 0.000 0.893 129 N CB 0.231 38.693 38.487 -0.042 0.000 0.967 129 N HN 0.913 nan 8.380 nan 0.000 0.440 130 G N -1.849 106.924 108.800 -0.046 0.000 2.890 130 G HA2 0.554 4.501 3.960 -0.021 0.000 0.189 130 G HA3 0.554 4.501 3.960 -0.021 0.000 0.189 130 G C 0.344 175.214 174.900 -0.050 0.000 1.342 130 G CA -0.235 44.841 45.100 -0.041 0.000 1.026 130 G HN 0.270 nan 8.290 nan 0.000 0.579 131 G N -1.433 107.339 108.800 -0.047 0.000 2.714 131 G HA2 0.363 4.311 3.960 -0.021 0.000 0.197 131 G HA3 0.363 4.311 3.960 -0.021 0.000 0.197 131 G C 0.970 175.821 174.900 -0.082 0.000 1.449 131 G CA -0.069 44.997 45.100 -0.057 0.000 1.065 131 G HN 0.493 nan 8.290 nan 0.000 0.575 132 L N -0.447 120.716 121.223 -0.100 0.000 2.093 132 L HA 0.078 4.406 4.340 -0.021 0.000 0.208 132 L C 2.842 179.620 176.870 -0.153 0.000 1.085 132 L CA 1.863 56.605 54.840 -0.164 0.000 0.755 132 L CB -0.454 41.467 42.059 -0.230 0.000 0.904 132 L HN 0.691 nan 8.230 nan 0.000 0.435 133 E N -0.828 119.313 120.200 -0.097 0.000 2.048 133 E HA -0.331 4.007 4.350 -0.021 0.000 0.202 133 E C 2.154 178.716 176.600 -0.063 0.000 1.021 133 E CA 1.936 58.297 56.400 -0.065 0.000 0.825 133 E CB -0.164 29.520 29.700 -0.027 0.000 0.756 133 E HN 0.469 nan 8.360 nan 0.000 0.454 134 Q N 0.164 119.930 119.800 -0.057 0.000 2.135 134 Q HA -0.156 4.172 4.340 -0.021 0.000 0.204 134 Q C 2.015 177.975 176.000 -0.067 0.000 0.981 134 Q CA 1.680 57.453 55.803 -0.050 0.000 0.856 134 Q CB -0.551 28.160 28.738 -0.045 0.000 0.902 134 Q HN 0.357 nan 8.270 nan 0.000 0.425 135 A N 0.537 123.299 122.820 -0.096 0.000 1.851 135 A HA -0.195 4.113 4.320 -0.021 0.000 0.216 135 A C 2.097 179.610 177.584 -0.119 0.000 1.195 135 A CA 1.648 53.611 52.037 -0.123 0.000 0.622 135 A CB -0.933 17.977 19.000 -0.149 0.000 0.831 135 A HN 0.361 nan 8.150 nan 0.000 0.444 136 L N -1.098 120.055 121.223 -0.117 0.000 2.042 136 L HA -0.283 4.045 4.340 -0.021 0.000 0.210 136 L C 2.903 179.742 176.870 -0.052 0.000 1.076 136 L CA 1.817 56.605 54.840 -0.088 0.000 0.749 136 L CB -0.843 41.164 42.059 -0.086 0.000 0.893 136 L HN 0.473 nan 8.230 nan 0.000 0.432 137 Q N -0.184 119.592 119.800 -0.041 0.000 2.045 137 Q HA -0.246 4.081 4.340 -0.021 0.000 0.206 137 Q C 2.352 178.355 176.000 0.005 0.000 0.991 137 Q CA 1.662 57.457 55.803 -0.013 0.000 0.851 137 Q CB -0.312 28.420 28.738 -0.009 0.000 0.911 137 Q HN 0.412 nan 8.270 nan 0.000 0.418 138 L N 0.655 121.873 121.223 -0.008 0.000 2.083 138 L HA -0.174 4.153 4.340 -0.021 0.000 0.209 138 L C 1.920 178.816 176.870 0.042 0.000 1.083 138 L CA 1.669 56.526 54.840 0.027 0.000 0.752 138 L CB -0.456 41.589 42.059 -0.023 0.000 0.899 138 L HN 0.338 nan 8.230 nan 0.000 0.433 139 L N -0.001 121.186 121.223 -0.061 0.000 2.217 139 L HA -0.041 4.286 4.340 -0.021 0.000 0.211 139 L C 2.545 179.440 176.870 0.042 0.000 1.107 139 L CA 0.876 55.669 54.840 -0.079 0.000 0.783 139 L CB -0.555 41.426 42.059 -0.130 0.000 0.919 139 L HN 0.278 nan 8.230 nan 0.000 0.442 140 A N -1.303 121.537 122.820 0.033 0.000 2.251 140 A HA 0.035 4.342 4.320 -0.021 0.000 0.209 140 A C 1.289 178.915 177.584 0.069 0.000 1.187 140 A CA 0.078 52.140 52.037 0.041 0.000 0.823 140 A CB -0.183 18.823 19.000 0.011 0.000 0.846 140 A HN 0.227 nan 8.150 nan 0.000 0.486 141 S N 0.632 116.395 115.700 0.106 0.000 2.510 141 S HA 0.295 4.752 4.470 -0.021 0.000 0.279 141 S C -1.180 173.472 174.600 0.086 0.000 1.284 141 S CA -1.256 57.005 58.200 0.102 0.000 1.059 141 S CB 0.540 63.817 63.200 0.129 0.000 0.901 141 S HN 0.147 nan 8.310 nan 0.000 0.491 142 P HA -0.287 nan 4.420 nan 0.000 0.236 142 P C 0.538 177.840 177.300 0.004 0.000 1.136 142 P CA 2.314 65.431 63.100 0.029 0.000 0.948 142 P CB -0.241 31.472 31.700 0.022 0.000 0.766 143 N N -2.867 115.807 118.700 -0.042 0.000 2.368 143 N HA -0.112 4.616 4.740 -0.021 0.000 0.178 143 N C 1.593 177.052 175.510 -0.085 0.000 1.021 143 N CA 0.929 53.914 53.050 -0.108 0.000 0.875 143 N CB -1.544 36.810 38.487 -0.222 0.000 1.020 143 N HN 0.140 nan 8.380 nan 0.000 0.433 144 Y N 1.733 122.033 120.300 0.001 0.000 2.403 144 Y HA -0.065 4.472 4.550 -0.021 0.000 0.291 144 Y C 2.297 178.194 175.900 -0.005 0.000 1.143 144 Y CA 1.173 59.271 58.100 -0.004 0.000 1.257 144 Y CB -0.908 37.547 38.460 -0.008 0.000 0.984 144 Y HN 0.224 nan 8.280 nan 0.000 0.550 145 T N -1.047 113.591 114.554 0.141 0.000 2.698 145 T HA -0.095 4.242 4.350 -0.021 0.000 0.260 145 T C -0.246 174.484 174.700 0.050 0.000 1.044 145 T CA 1.044 63.191 62.100 0.078 0.000 1.149 145 T CB -1.719 67.178 68.868 0.049 0.000 0.864 145 T HN 0.189 nan 8.240 nan 0.000 0.419 146 P HA -0.073 nan 4.420 nan 0.000 0.215 146 P C 1.929 179.251 177.300 0.037 0.000 1.153 146 P CA 1.262 64.379 63.100 0.029 0.000 0.853 146 P CB -0.156 31.558 31.700 0.022 0.000 0.788 147 S N -1.157 114.574 115.700 0.051 0.000 2.383 147 S HA -0.027 4.431 4.470 -0.021 0.000 0.227 147 S C 1.099 175.738 174.600 0.066 0.000 1.026 147 S CA 0.451 58.687 58.200 0.060 0.000 0.981 147 S CB -0.449 62.796 63.200 0.074 0.000 0.818 147 S HN -0.131 nan 8.310 nan 0.000 0.472 148 I N 2.667 123.284 120.570 0.078 0.000 2.297 148 I HA 0.297 4.454 4.170 -0.021 0.000 0.291 148 I C 1.151 177.276 176.117 0.013 0.000 1.033 148 I CA -0.077 61.251 61.300 0.046 0.000 1.253 148 I CB 0.981 39.005 38.000 0.040 0.000 1.396 148 I HN 0.421 nan 8.210 nan 0.000 0.476 149 E N 4.362 124.561 120.200 -0.002 0.000 2.005 149 E HA -0.040 4.298 4.350 -0.021 0.000 0.191 149 E C -0.152 176.414 176.600 -0.057 0.000 0.987 149 E CA 1.122 57.512 56.400 -0.017 0.000 0.814 149 E CB 0.434 30.128 29.700 -0.010 0.000 0.772 149 E HN 0.615 nan 8.360 nan 0.000 0.453 150 T N 0.667 115.153 114.554 -0.114 0.000 2.863 150 T HA 0.463 4.800 4.350 -0.021 0.000 0.285 150 T C -0.610 173.878 174.700 -0.353 0.000 1.009 150 T CA -0.763 61.178 62.100 -0.266 0.000 0.989 150 T CB 2.341 70.943 68.868 -0.444 0.000 1.004 150 T HN -0.110 nan 8.240 nan 0.000 0.455 151 V N 2.922 122.644 119.914 -0.320 0.000 2.481 151 V HA 0.434 4.542 4.120 -0.021 0.000 0.286 151 V C -1.159 174.730 176.094 -0.341 0.000 1.042 151 V CA -0.644 61.524 62.300 -0.221 0.000 0.928 151 V CB 0.519 32.312 31.823 -0.050 0.000 0.986 151 V HN 0.783 nan 8.190 nan 0.000 0.462 152 Y N 2.729 123.069 120.300 0.067 0.000 2.376 152 Y HA 0.500 5.037 4.550 -0.021 0.000 0.340 152 Y C 0.246 176.218 175.900 0.119 0.000 0.965 152 Y CA -0.710 57.446 58.100 0.094 0.000 1.078 152 Y CB 1.714 40.155 38.460 -0.033 0.000 1.193 152 Y HN 0.694 nan 8.280 nan 0.000 0.452 153 C N 6.476 126.005 119.300 0.382 0.000 2.285 153 C HA 0.598 5.046 4.460 -0.021 0.000 0.335 153 C C 1.142 176.341 174.990 0.348 0.000 1.267 153 C CA -0.556 58.636 59.018 0.290 0.000 1.762 153 C CB -1.700 26.237 27.740 0.329 0.000 2.365 153 C HN 0.959 nan 8.230 nan 0.000 0.527 154 I N 3.974 124.689 120.570 0.240 0.000 4.154 154 I HA 0.622 4.780 4.170 -0.021 0.000 0.334 154 I C 0.734 176.920 176.117 0.115 0.000 1.371 154 I CA 0.419 61.900 61.300 0.303 0.000 1.110 154 I CB -0.156 38.085 38.000 0.401 0.000 1.085 154 I HN 0.980 nan 8.210 nan 0.000 0.398 155 G N 0.336 108.983 108.800 -0.255 0.000 2.354 155 G HA2 0.302 4.250 3.960 -0.021 0.000 0.582 155 G HA3 0.302 4.250 3.960 -0.021 0.000 0.582 155 G C -0.515 174.127 174.900 -0.429 0.000 1.316 155 G CA -0.522 44.100 45.100 -0.797 0.000 0.995 155 G HN 0.474 nan 8.290 nan 0.000 0.573 156 G N -1.277 107.290 108.800 -0.389 0.000 3.099 156 G HA2 0.682 4.630 3.960 -0.021 0.000 0.151 156 G HA3 0.682 4.630 3.960 -0.021 0.000 0.151 156 G C 1.607 176.273 174.900 -0.390 0.000 1.265 156 G CA 1.074 45.899 45.100 -0.458 0.000 0.981 156 G HN 1.965 nan 8.290 nan 0.000 0.601 157 G N 0.556 109.335 108.800 -0.036 0.000 2.766 157 G HA2 -0.355 3.593 3.960 -0.021 0.000 0.222 157 G HA3 -0.355 3.593 3.960 -0.021 0.000 0.222 157 G C 2.264 177.224 174.900 0.100 0.000 1.225 157 G CA 3.378 48.563 45.100 0.142 0.000 0.784 157 G HN 1.371 nan 8.290 nan 0.000 0.631 158 S N 0.007 115.722 115.700 0.024 0.000 2.387 158 S HA -0.141 4.316 4.470 -0.021 0.000 0.230 158 S C 2.275 176.878 174.600 0.006 0.000 1.035 158 S CA 1.966 60.179 58.200 0.021 0.000 1.014 158 S CB -0.602 62.597 63.200 -0.002 0.000 0.836 158 S HN 0.226 nan 8.310 nan 0.000 0.466 159 V N 0.262 120.128 119.914 -0.081 0.000 2.453 159 V HA -0.061 4.046 4.120 -0.021 0.000 0.247 159 V C 2.331 178.451 176.094 0.042 0.000 1.048 159 V CA 1.365 63.610 62.300 -0.091 0.000 1.049 159 V CB -1.083 30.623 31.823 -0.195 0.000 0.672 159 V HN 0.436 nan 8.190 nan 0.000 0.457 160 Y N 0.940 121.329 120.300 0.150 0.000 2.200 160 Y HA -0.055 4.483 4.550 -0.020 0.000 0.290 160 Y C 2.586 178.615 175.900 0.215 0.000 1.137 160 Y CA 0.534 58.788 58.100 0.258 0.000 1.163 160 Y CB -1.428 37.267 38.460 0.393 0.000 0.988 160 Y HN 0.179 nan 8.280 nan 0.000 0.518 161 A N 0.190 123.192 122.820 0.304 0.000 1.884 161 A HA -0.326 3.981 4.320 -0.021 0.000 0.219 161 A C 2.258 179.931 177.584 0.149 0.000 1.197 161 A CA 2.260 54.406 52.037 0.182 0.000 0.637 161 A CB -0.949 18.128 19.000 0.128 0.000 0.827 161 A HN 0.524 nan 8.150 nan 0.000 0.450 162 E N -0.599 119.678 120.200 0.129 0.000 2.110 162 E HA -0.116 4.221 4.350 -0.021 0.000 0.193 162 E C 2.212 178.901 176.600 0.149 0.000 0.988 162 E CA 0.897 57.356 56.400 0.099 0.000 0.804 162 E CB -0.243 29.482 29.700 0.043 0.000 0.745 162 E HN 0.585 nan 8.360 nan 0.000 0.458 163 A N 0.912 123.871 122.820 0.232 0.000 1.883 163 A HA -0.139 4.169 4.320 -0.021 0.000 0.217 163 A C 1.942 179.723 177.584 0.329 0.000 1.186 163 A CA 1.097 53.369 52.037 0.393 0.000 0.624 163 A CB -0.488 18.841 19.000 0.549 0.000 0.822 163 A HN 0.286 nan 8.150 nan 0.000 0.444 164 L N -0.918 120.433 121.223 0.215 0.000 2.645 164 L HA 0.196 4.523 4.340 -0.021 0.000 0.234 164 L C 0.926 177.838 176.870 0.071 0.000 1.165 164 L CA -0.148 54.757 54.840 0.108 0.000 0.944 164 L CB -0.401 41.655 42.059 -0.005 0.000 1.149 164 L HN 0.317 nan 8.230 nan 0.000 0.446 165 R N 1.019 121.573 120.500 0.089 0.000 2.637 165 R HA 0.455 4.783 4.340 -0.021 0.000 0.291 165 R C -2.653 173.675 176.300 0.046 0.000 0.963 165 R CA -1.827 54.309 56.100 0.060 0.000 0.901 165 R CB 1.854 32.198 30.300 0.072 0.000 1.160 165 R HN -0.225 nan 8.270 nan 0.000 0.457 166 P HA 0.099 nan 4.420 nan 0.000 0.268 166 P C -2.289 175.093 177.300 0.137 0.000 1.205 166 P CA -0.964 62.202 63.100 0.111 0.000 0.771 166 P CB 0.529 32.369 31.700 0.233 0.000 0.858 167 P HA 0.206 nan 4.420 nan 0.000 0.259 167 P C 0.083 177.528 177.300 0.241 0.000 1.530 167 P CA 0.105 63.374 63.100 0.282 0.000 1.022 167 P CB -0.231 31.600 31.700 0.218 0.000 1.514 168 C N -1.002 118.415 119.300 0.195 0.000 2.489 168 C HA -0.078 4.369 4.460 -0.021 0.000 0.279 168 C C 2.614 177.821 174.990 0.362 0.000 1.266 168 C CA 0.376 59.591 59.018 0.328 0.000 1.707 168 C CB -1.374 26.536 27.740 0.284 0.000 2.059 168 C HN 0.154 nan 8.230 nan 0.000 0.481 169 V N 1.413 121.425 119.914 0.164 0.000 2.428 169 V HA -0.291 3.816 4.120 -0.021 0.000 0.255 169 V C 2.449 178.517 176.094 -0.043 0.000 1.080 169 V CA 2.209 64.533 62.300 0.041 0.000 1.083 169 V CB -0.751 31.020 31.823 -0.086 0.000 0.665 169 V HN 0.636 nan 8.190 nan 0.000 0.461 170 H N -1.422 117.744 119.070 0.161 0.000 2.470 170 H HA 0.095 4.637 4.556 -0.022 0.000 0.289 170 H C 1.862 177.262 175.328 0.120 0.000 1.033 170 H CA 0.936 57.055 56.048 0.118 0.000 1.331 170 H CB 0.105 29.936 29.762 0.116 0.000 1.414 170 H HN 0.328 nan 8.280 nan 0.000 0.545 171 L N 1.010 122.366 121.223 0.221 0.000 2.591 171 L HA 0.052 4.379 4.340 -0.021 0.000 0.228 171 L C 0.574 177.359 176.870 -0.142 0.000 1.133 171 L CA 0.050 54.974 54.840 0.140 0.000 0.880 171 L CB -0.764 41.434 42.059 0.232 0.000 1.033 171 L HN 0.099 nan 8.230 nan 0.000 0.450 172 L N 0.339 121.389 121.223 -0.288 0.000 2.361 172 L HA 0.081 4.409 4.340 -0.021 0.000 0.278 172 L C 1.063 177.861 176.870 -0.120 0.000 1.113 172 L CA 0.941 55.444 54.840 -0.561 0.000 0.849 172 L CB 0.768 42.669 42.059 -0.264 0.000 1.155 172 L HN 0.192 nan 8.230 nan 0.000 0.452 173 Q N 4.014 123.733 119.800 -0.134 0.000 2.322 173 Q HA 0.505 4.832 4.340 -0.021 0.000 0.250 173 Q C -0.412 175.631 176.000 0.072 0.000 0.853 173 Q CA 0.374 56.175 55.803 -0.004 0.000 0.951 173 Q CB 1.147 29.880 28.738 -0.009 0.000 1.114 173 Q HN 0.768 nan 8.270 nan 0.000 0.523 174 A N 0.910 123.783 122.820 0.088 0.000 2.577 174 A HA 0.602 4.910 4.320 -0.021 0.000 0.297 174 A C -1.580 176.014 177.584 0.017 0.000 1.060 174 A CA -0.591 51.480 52.037 0.056 0.000 0.697 174 A CB 1.075 20.037 19.000 -0.062 0.000 1.281 174 A HN 0.159 nan 8.150 nan 0.000 0.402 175 I N 2.132 122.645 120.570 -0.094 0.000 2.382 175 I HA 0.325 4.483 4.170 -0.021 0.000 0.286 175 I C -1.303 174.710 176.117 -0.173 0.000 1.002 175 I CA -0.477 60.771 61.300 -0.087 0.000 1.135 175 I CB 1.298 39.188 38.000 -0.184 0.000 1.288 175 I HN 0.630 nan 8.210 nan 0.000 0.448 176 Y N 5.716 126.074 120.300 0.097 0.000 2.383 176 Y HA 0.432 4.971 4.550 -0.019 0.000 0.344 176 Y C 0.428 176.399 175.900 0.118 0.000 0.986 176 Y CA -0.446 57.748 58.100 0.157 0.000 1.175 176 Y CB 0.769 39.344 38.460 0.192 0.000 1.152 176 Y HN 0.454 nan 8.280 nan 0.000 0.511 177 R N 2.137 122.753 120.500 0.193 0.000 2.388 177 R HA 0.410 4.737 4.340 -0.021 0.000 0.314 177 R C -1.250 175.079 176.300 0.049 0.000 0.959 177 R CA -0.455 55.691 56.100 0.077 0.000 0.851 177 R CB 0.752 31.057 30.300 0.008 0.000 1.168 177 R HN 0.617 nan 8.270 nan 0.000 0.472 178 T N 3.552 118.127 114.554 0.036 0.000 2.723 178 T HA 0.139 4.476 4.350 -0.021 0.000 0.297 178 T C -0.098 174.404 174.700 -0.329 0.000 0.925 178 T CA 0.007 62.046 62.100 -0.101 0.000 1.030 178 T CB 1.155 70.047 68.868 0.041 0.000 0.905 178 T HN 0.427 nan 8.240 nan 0.000 0.502 179 T N 5.440 119.619 114.554 -0.626 0.000 2.771 179 T HA 0.374 4.712 4.350 -0.021 0.000 0.291 179 T C 0.386 174.679 174.700 -0.679 0.000 0.954 179 T CA -0.626 61.036 62.100 -0.730 0.000 1.045 179 T CB 0.212 68.409 68.868 -1.119 0.000 0.917 179 T HN 0.371 nan 8.240 nan 0.000 0.484 180 I N 3.897 124.096 120.570 -0.618 0.000 2.321 180 I HA 0.306 4.464 4.170 -0.021 0.000 0.291 180 I C 0.990 176.865 176.117 -0.404 0.000 0.998 180 I CA -0.684 60.256 61.300 -0.600 0.000 1.227 180 I CB 1.077 38.422 38.000 -1.092 0.000 1.368 180 I HN 0.435 nan 8.210 nan 0.000 0.466 181 R N 4.470 124.826 120.500 -0.241 0.000 4.624 181 R HA 0.371 4.699 4.340 -0.021 0.000 0.214 181 R C 0.134 176.366 176.300 -0.113 0.000 2.026 181 R CA -0.080 55.943 56.100 -0.129 0.000 1.676 181 R CB -0.415 29.848 30.300 -0.061 0.000 1.291 181 R HN 0.680 nan 8.270 nan 0.000 0.739 182 A N 0.032 122.757 122.820 -0.158 0.000 2.330 182 A HA 0.709 5.017 4.320 -0.021 0.000 0.329 182 A C -0.378 177.182 177.584 -0.041 0.000 1.135 182 A CA -0.444 51.546 52.037 -0.077 0.000 0.817 182 A CB 1.559 20.528 19.000 -0.052 0.000 1.269 182 A HN 0.198 nan 8.150 nan 0.000 0.469 183 S N 0.473 116.179 115.700 0.011 0.000 2.603 183 S HA 0.549 5.006 4.470 -0.021 0.000 0.274 183 S C -1.235 173.397 174.600 0.052 0.000 1.168 183 S CA -0.629 57.591 58.200 0.033 0.000 0.963 183 S CB 1.284 64.500 63.200 0.027 0.000 1.078 183 S HN 0.901 nan 8.310 nan 0.000 0.477 184 E N 1.241 121.483 120.200 0.069 0.000 2.449 184 E HA 0.454 4.791 4.350 -0.021 0.000 0.278 184 E C 0.193 176.848 176.600 0.090 0.000 0.992 184 E CA -0.644 55.798 56.400 0.070 0.000 0.807 184 E CB 0.739 30.478 29.700 0.065 0.000 1.350 184 E HN 0.429 nan 8.360 nan 0.000 0.462 185 S N 0.277 116.031 115.700 0.090 0.000 2.425 185 S HA -0.113 4.345 4.470 -0.021 0.000 0.225 185 S C 1.767 176.438 174.600 0.118 0.000 1.024 185 S CA 1.161 59.433 58.200 0.121 0.000 0.951 185 S CB -0.688 62.571 63.200 0.097 0.000 0.796 185 S HN 0.630 nan 8.310 nan 0.000 0.498 186 S N 0.282 116.029 115.700 0.079 0.000 2.528 186 S HA -0.035 4.422 4.470 -0.021 0.000 0.244 186 S C 0.810 175.437 174.600 0.046 0.000 0.982 186 S CA 0.322 58.557 58.200 0.059 0.000 0.953 186 S CB -1.611 61.613 63.200 0.039 0.000 0.754 186 S HN 0.623 nan 8.310 nan 0.000 0.529 187 C N 2.372 121.697 119.300 0.042 0.000 2.555 187 C HA 0.533 4.981 4.460 -0.021 0.000 0.385 187 C C 1.891 176.883 174.990 0.004 0.000 1.296 187 C CA -0.287 58.722 59.018 -0.015 0.000 1.757 187 C CB -0.716 26.992 27.740 -0.053 0.000 2.445 187 C HN 0.671 nan 8.230 nan 0.000 0.571 188 S N 3.624 119.335 115.700 0.019 0.000 2.326 188 S HA -0.038 4.419 4.470 -0.021 0.000 0.211 188 S C 0.732 175.435 174.600 0.172 0.000 1.031 188 S CA 0.682 58.946 58.200 0.106 0.000 0.985 188 S CB -0.381 62.861 63.200 0.070 0.000 0.961 188 S HN 0.773 nan 8.310 nan 0.000 0.436 189 V N 1.707 121.670 119.914 0.082 0.000 3.096 189 V HA 0.285 4.392 4.120 -0.021 0.000 0.306 189 V C -0.487 175.648 176.094 0.068 0.000 1.088 189 V CA 0.102 62.494 62.300 0.153 0.000 1.129 189 V CB -0.219 31.675 31.823 0.118 0.000 1.014 189 V HN 0.272 nan 8.190 nan 0.000 0.486 190 F N 1.796 121.830 119.950 0.140 0.000 2.565 190 F HA 0.632 5.147 4.527 -0.021 0.000 0.313 190 F C -0.665 175.256 175.800 0.202 0.000 1.091 190 F CA -0.652 57.438 58.000 0.150 0.000 0.915 190 F CB 2.076 41.129 39.000 0.088 0.000 1.208 190 F HN 0.414 nan 8.300 nan 0.000 0.453 191 F N 4.204 124.256 119.950 0.170 0.000 2.577 191 F HA 0.601 5.116 4.527 -0.020 0.000 0.344 191 F C -0.901 174.926 175.800 0.044 0.000 1.145 191 F CA -0.469 57.571 58.000 0.065 0.000 0.996 191 F CB 0.727 39.692 39.000 -0.058 0.000 1.248 191 F HN 0.367 nan 8.300 nan 0.000 0.447 192 R N 4.779 125.121 120.500 -0.262 0.000 2.534 192 R HA 0.609 4.937 4.340 -0.021 0.000 0.301 192 R C -1.261 174.770 176.300 -0.447 0.000 0.961 192 R CA -1.167 54.813 56.100 -0.200 0.000 0.871 192 R CB 2.383 32.646 30.300 -0.062 0.000 1.170 192 R HN 0.358 nan 8.270 nan 0.000 0.446 193 V N 4.791 124.501 119.914 -0.340 0.000 2.555 193 V HA 0.149 4.257 4.120 -0.021 0.000 0.286 193 V C -1.455 174.524 176.094 -0.193 0.000 1.044 193 V CA -1.258 60.813 62.300 -0.383 0.000 1.026 193 V CB 0.456 32.052 31.823 -0.377 0.000 0.981 193 V HN 0.683 nan 8.190 nan 0.000 0.480 194 P HA 0.260 nan 4.420 nan 0.000 0.275 194 P C -0.286 177.064 177.300 0.084 0.000 1.228 194 P CA -0.472 62.627 63.100 -0.002 0.000 0.786 194 P CB 0.827 32.553 31.700 0.043 0.000 0.927 195 E N 0.693 120.933 120.200 0.066 0.000 2.392 195 E HA 0.141 4.478 4.350 -0.021 0.000 0.264 195 E C 0.438 177.100 176.600 0.104 0.000 1.024 195 E CA -0.230 56.222 56.400 0.086 0.000 0.903 195 E CB 0.382 30.113 29.700 0.051 0.000 0.963 195 E HN 0.461 nan 8.360 nan 0.000 0.432 196 S N 1.663 117.429 115.700 0.109 0.000 2.563 196 S HA 0.227 4.684 4.470 -0.021 0.000 0.284 196 S C 1.142 175.769 174.600 0.045 0.000 1.331 196 S CA -0.273 57.971 58.200 0.074 0.000 1.047 196 S CB 0.901 64.128 63.200 0.044 0.000 0.859 196 S HN 0.916 nan 8.310 nan 0.000 0.514 197 G N 1.334 110.154 108.800 0.032 0.000 2.179 197 G HA2 -0.233 3.715 3.960 -0.021 0.000 0.257 197 G HA3 -0.233 3.715 3.960 -0.021 0.000 0.257 197 G C 0.194 175.111 174.900 0.028 0.000 1.010 197 G CA 0.463 45.578 45.100 0.024 0.000 0.736 197 G HN 1.620 nan 8.290 nan 0.000 0.513 198 T N -3.376 111.201 114.554 0.039 0.000 2.952 198 T HA 0.696 5.033 4.350 -0.021 0.000 0.286 198 T C 1.073 175.795 174.700 0.037 0.000 1.024 198 T CA 0.189 62.309 62.100 0.034 0.000 1.029 198 T CB 1.966 70.854 68.868 0.033 0.000 1.094 198 T HN 0.059 nan 8.240 nan 0.000 0.515 199 E N 1.239 121.456 120.200 0.030 0.000 2.033 199 E HA -0.106 4.231 4.350 -0.021 0.000 0.199 199 E C 2.400 179.023 176.600 0.039 0.000 1.011 199 E CA 1.838 58.256 56.400 0.032 0.000 0.815 199 E CB -0.814 28.900 29.700 0.024 0.000 0.755 199 E HN 0.824 nan 8.360 nan 0.000 0.451 200 A N 0.779 123.618 122.820 0.032 0.000 2.139 200 A HA -0.137 4.170 4.320 -0.021 0.000 0.221 200 A C 2.260 179.877 177.584 0.055 0.000 1.159 200 A CA 1.673 53.728 52.037 0.031 0.000 0.662 200 A CB -0.762 18.243 19.000 0.010 0.000 0.796 200 A HN 0.288 nan 8.150 nan 0.000 0.463 201 A N -1.405 121.459 122.820 0.074 0.000 2.067 201 A HA 0.341 4.649 4.320 -0.021 0.000 0.219 201 A C 1.771 179.422 177.584 0.111 0.000 1.158 201 A CA 1.343 53.451 52.037 0.119 0.000 0.661 201 A CB -0.829 18.235 19.000 0.107 0.000 0.801 201 A HN 2.078 nan 8.150 nan 0.000 0.452 202 A N -2.804 120.068 122.820 0.087 0.000 2.860 202 A HA 0.154 4.462 4.320 -0.021 0.000 0.267 202 A C 1.970 179.628 177.584 0.123 0.000 1.421 202 A CA 1.423 53.523 52.037 0.106 0.000 0.831 202 A CB -2.106 16.947 19.000 0.089 0.000 1.041 202 A HN 2.519 nan 8.150 nan 0.000 0.623 203 G N -2.413 106.433 108.800 0.077 0.000 2.155 203 G HA2 -0.248 3.700 3.960 -0.021 0.000 0.257 203 G HA3 -0.248 3.700 3.960 -0.021 0.000 0.257 203 G C 0.106 175.011 174.900 0.010 0.000 0.983 203 G CA 0.505 45.633 45.100 0.048 0.000 0.676 203 G HN 1.457 nan 8.290 nan 0.000 0.528 204 I N 0.406 120.969 120.570 -0.013 0.000 2.428 204 I HA 0.352 4.509 4.170 -0.021 0.000 0.296 204 I C 0.226 176.202 176.117 -0.234 0.000 0.985 204 I CA -0.482 60.711 61.300 -0.177 0.000 1.260 204 I CB 1.389 39.220 38.000 -0.281 0.000 1.389 204 I HN 0.066 nan 8.210 nan 0.000 0.484 205 E N 5.129 125.120 120.200 -0.349 0.000 2.102 205 E HA 0.220 4.557 4.350 -0.021 0.000 0.263 205 E C -1.610 174.800 176.600 -0.317 0.000 0.894 205 E CA -0.469 55.795 56.400 -0.226 0.000 0.746 205 E CB 1.171 30.792 29.700 -0.131 0.000 1.129 205 E HN 0.372 nan 8.360 nan 0.000 0.416 206 W N 2.472 123.769 121.300 -0.005 0.000 2.351 206 W HA 0.231 4.881 4.660 -0.016 0.000 0.311 206 W C 0.496 177.013 176.519 -0.004 0.000 1.168 206 W CA -0.387 56.954 57.345 -0.007 0.000 1.200 206 W CB 0.998 30.455 29.460 -0.006 0.000 1.221 206 W HN 0.261 nan 8.180 nan 0.000 0.519 207 Q N 2.108 122.049 119.800 0.234 0.000 2.413 207 Q HA 0.444 4.771 4.340 -0.021 0.000 0.276 207 Q C -0.577 175.503 176.000 0.134 0.000 1.099 207 Q CA -1.509 54.375 55.803 0.134 0.000 0.814 207 Q CB 2.703 31.480 28.738 0.064 0.000 1.379 207 Q HN 0.377 nan 8.270 nan 0.000 0.436 208 R N 1.302 121.858 120.500 0.093 0.000 2.347 208 R HA 0.007 4.335 4.340 -0.021 0.000 0.304 208 R C 0.673 177.013 176.300 0.067 0.000 1.072 208 R CA 0.379 56.526 56.100 0.078 0.000 0.980 208 R CB 0.574 30.910 30.300 0.061 0.000 0.986 208 R HN 0.762 nan 8.270 nan 0.000 0.448 209 E N 1.690 121.928 120.200 0.063 0.000 2.175 209 E HA 0.051 4.388 4.350 -0.021 0.000 0.195 209 E C -0.474 176.167 176.600 0.068 0.000 0.934 209 E CA 0.719 57.156 56.400 0.062 0.000 0.870 209 E CB 0.599 30.329 29.700 0.051 0.000 0.838 209 E HN 0.679 nan 8.360 nan 0.000 0.474 210 T N -0.141 114.457 114.554 0.073 0.000 2.883 210 T HA 0.615 4.953 4.350 -0.021 0.000 0.296 210 T C -0.764 173.994 174.700 0.097 0.000 1.117 210 T CA -0.681 61.471 62.100 0.087 0.000 1.006 210 T CB 2.334 71.269 68.868 0.112 0.000 1.191 210 T HN 0.161 nan 8.240 nan 0.000 0.508 211 I N 1.783 122.410 120.570 0.094 0.000 2.667 211 I HA 0.397 4.554 4.170 -0.021 0.000 0.288 211 I C 0.055 176.225 176.117 0.089 0.000 1.267 211 I CA -0.363 60.998 61.300 0.102 0.000 1.055 211 I CB 1.600 39.630 38.000 0.051 0.000 1.294 211 I HN 0.926 nan 8.210 nan 0.000 0.429 212 S N 4.427 120.213 115.700 0.144 0.000 2.617 212 S HA 0.289 4.747 4.470 -0.021 0.000 0.255 212 S C 0.212 174.826 174.600 0.024 0.000 1.318 212 S CA -0.275 58.001 58.200 0.127 0.000 0.978 212 S CB 0.762 64.109 63.200 0.244 0.000 0.961 212 S HN 0.721 nan 8.310 nan 0.000 0.582 213 E N 0.514 120.717 120.200 0.005 0.000 2.418 213 E HA 0.077 4.414 4.350 -0.021 0.000 0.261 213 E C -0.058 176.469 176.600 -0.122 0.000 1.070 213 E CA 0.089 56.451 56.400 -0.064 0.000 0.931 213 E CB 0.349 30.018 29.700 -0.053 0.000 0.954 213 E HN 0.554 nan 8.360 nan 0.000 0.439 214 E N 2.078 122.178 120.200 -0.168 0.000 2.465 214 E HA 0.038 4.375 4.350 -0.021 0.000 0.260 214 E C -0.589 175.841 176.600 -0.284 0.000 0.980 214 E CA 0.476 56.755 56.400 -0.201 0.000 0.927 214 E CB 0.458 30.052 29.700 -0.176 0.000 0.934 214 E HN 0.346 nan 8.360 nan 0.000 0.459 215 L N 2.193 123.100 121.223 -0.528 0.000 2.388 215 L HA 0.344 4.671 4.340 -0.021 0.000 0.264 215 L C -0.317 176.056 176.870 -0.828 0.000 0.998 215 L CA -0.660 53.757 54.840 -0.705 0.000 0.817 215 L CB 2.481 43.975 42.059 -0.942 0.000 1.338 215 L HN 0.403 nan 8.230 nan 0.000 0.414 216 T N 0.560 114.869 114.554 -0.408 0.000 2.794 216 T HA 0.220 4.557 4.350 -0.021 0.000 0.280 216 T C -0.139 174.599 174.700 0.064 0.000 0.987 216 T CA -0.300 61.702 62.100 -0.164 0.000 0.993 216 T CB 1.573 70.392 68.868 -0.081 0.000 0.939 216 T HN 0.449 nan 8.240 nan 0.000 0.449 217 S N 1.717 117.550 115.700 0.223 0.000 2.523 217 S HA 0.394 4.851 4.470 -0.021 0.000 0.275 217 S C 1.355 176.033 174.600 0.130 0.000 1.281 217 S CA -0.721 57.648 58.200 0.282 0.000 1.050 217 S CB 0.244 63.576 63.200 0.219 0.000 0.937 217 S HN 0.817 nan 8.310 nan 0.000 0.492 218 A N 4.562 127.450 122.820 0.114 0.000 2.263 218 A HA 0.030 4.337 4.320 -0.021 0.000 0.205 218 A C 1.032 178.649 177.584 0.056 0.000 1.226 218 A CA 0.135 52.215 52.037 0.072 0.000 0.810 218 A CB -0.970 18.071 19.000 0.068 0.000 0.784 218 A HN 0.906 nan 8.150 nan 0.000 0.486 219 N N -0.376 118.359 118.700 0.058 0.000 2.332 219 N HA 0.253 4.981 4.740 -0.021 0.000 0.282 219 N C 1.237 176.770 175.510 0.038 0.000 1.288 219 N CA 0.276 53.354 53.050 0.046 0.000 0.949 219 N CB -0.565 37.951 38.487 0.049 0.000 1.108 219 N HN -0.063 nan 8.380 nan 0.000 0.542 220 G N -1.949 106.872 108.800 0.034 0.000 2.679 220 G HA2 -0.146 3.802 3.960 -0.021 0.000 0.212 220 G HA3 -0.146 3.802 3.960 -0.021 0.000 0.212 220 G C 0.199 175.115 174.900 0.026 0.000 1.137 220 G CA 0.260 45.376 45.100 0.027 0.000 0.787 220 G HN 0.693 nan 8.290 nan 0.000 0.534 221 N N -0.158 118.560 118.700 0.030 0.000 2.160 221 N HA 0.202 4.929 4.740 -0.021 0.000 0.226 221 N C -0.181 175.342 175.510 0.021 0.000 1.256 221 N CA -0.207 52.858 53.050 0.024 0.000 0.890 221 N CB 0.574 39.077 38.487 0.027 0.000 1.116 221 N HN 0.311 nan 8.380 nan 0.000 0.517 222 E N 0.154 120.370 120.200 0.025 0.000 2.269 222 E HA -0.216 4.121 4.350 -0.021 0.000 0.223 222 E C -0.448 176.161 176.600 0.015 0.000 1.244 222 E CA 0.850 57.263 56.400 0.020 0.000 0.713 222 E CB -2.030 27.674 29.700 0.008 0.000 1.178 222 E HN 0.445 nan 8.360 nan 0.000 0.370 223 T N -1.254 113.318 114.554 0.030 0.000 2.869 223 T HA 0.296 4.634 4.350 -0.021 0.000 0.295 223 T C 0.340 175.053 174.700 0.022 0.000 0.987 223 T CA -0.713 61.398 62.100 0.017 0.000 1.109 223 T CB 1.173 70.049 68.868 0.013 0.000 0.932 223 T HN 0.133 nan 8.240 nan 0.000 0.518 224 K N 2.423 122.803 120.400 -0.032 0.000 2.154 224 K HA 0.471 4.779 4.320 -0.021 0.000 0.264 224 K C -0.805 175.754 176.600 -0.067 0.000 1.008 224 K CA -0.581 55.648 56.287 -0.096 0.000 0.937 224 K CB 0.692 33.134 32.500 -0.097 0.000 1.002 224 K HN 0.827 nan 8.250 nan 0.000 0.469 225 Y N -0.872 119.311 120.300 -0.195 0.000 2.624 225 Y HA 0.503 5.040 4.550 -0.021 0.000 0.334 225 Y C -1.527 174.169 175.900 -0.340 0.000 1.155 225 Y CA -1.579 56.304 58.100 -0.362 0.000 1.046 225 Y CB 0.719 38.907 38.460 -0.454 0.000 1.316 225 Y HN 0.638 nan 8.280 nan 0.000 0.457 226 Y N -0.477 119.607 120.300 -0.359 0.000 2.638 226 Y HA 0.859 5.396 4.550 -0.021 0.000 0.335 226 Y C -2.202 173.374 175.900 -0.541 0.000 1.155 226 Y CA -2.350 55.457 58.100 -0.489 0.000 1.046 226 Y CB 1.248 39.533 38.460 -0.292 0.000 1.303 226 Y HN 0.529 nan 8.280 nan 0.000 0.460 227 F N 0.642 120.627 119.950 0.059 0.000 2.541 227 F HA 0.729 5.243 4.527 -0.022 0.000 0.331 227 F C -0.538 175.304 175.800 0.071 0.000 1.057 227 F CA -1.013 56.909 58.000 -0.129 0.000 0.975 227 F CB 2.147 40.888 39.000 -0.433 0.000 1.246 227 F HN 0.664 nan 8.300 nan 0.000 0.484 228 E N -0.084 120.272 120.200 0.260 0.000 2.381 228 E HA 0.324 4.661 4.350 -0.021 0.000 0.286 228 E C -1.813 174.874 176.600 0.145 0.000 0.960 228 E CA -1.264 55.257 56.400 0.203 0.000 0.793 228 E CB 2.243 32.061 29.700 0.198 0.000 1.225 228 E HN 0.526 nan 8.360 nan 0.000 0.420 229 K N 3.421 123.872 120.400 0.085 0.000 2.185 229 K HA 0.497 4.805 4.320 -0.021 0.000 0.269 229 K C -1.269 175.304 176.600 -0.044 0.000 0.987 229 K CA -0.613 55.627 56.287 -0.079 0.000 0.865 229 K CB 0.915 33.341 32.500 -0.124 0.000 1.090 229 K HN 0.564 nan 8.250 nan 0.000 0.450 230 L N 6.605 127.784 121.223 -0.072 0.000 2.362 230 L HA 0.576 4.903 4.340 -0.021 0.000 0.275 230 L C -0.345 176.644 176.870 0.199 0.000 0.998 230 L CA -1.040 53.846 54.840 0.077 0.000 0.820 230 L CB 1.514 43.602 42.059 0.048 0.000 1.270 230 L HN 0.634 nan 8.230 nan 0.000 0.415 231 I N 0.482 121.219 120.570 0.279 0.000 2.785 231 I HA 0.661 4.818 4.170 -0.021 0.000 0.302 231 I C -2.693 173.459 176.117 0.059 0.000 1.069 231 I CA -2.564 58.866 61.300 0.217 0.000 1.045 231 I CB 2.417 40.450 38.000 0.054 0.000 1.236 231 I HN 0.256 nan 8.210 nan 0.000 0.429 232 P HA 0.204 nan 4.420 nan 0.000 0.291 232 P C -0.680 176.402 177.300 -0.363 0.000 1.340 232 P CA -0.352 62.319 63.100 -0.715 0.000 0.799 232 P CB 0.824 31.992 31.700 -0.887 0.000 0.917 233 R N 3.992 124.320 120.500 -0.287 0.000 2.481 233 R HA -0.089 4.239 4.340 -0.021 0.000 0.291 233 R C 0.049 176.244 176.300 -0.175 0.000 0.934 233 R CA 0.443 56.439 56.100 -0.173 0.000 1.116 233 R CB -0.109 30.113 30.300 -0.130 0.000 0.895 233 R HN 0.333 nan 8.270 nan 0.000 0.410 234 N N 4.770 123.377 118.700 -0.156 0.000 3.105 234 N HA 0.063 4.790 4.740 -0.021 0.000 0.256 234 N C 0.647 176.096 175.510 -0.103 0.000 1.174 234 N CA -0.278 52.664 53.050 -0.180 0.000 1.030 234 N CB 0.387 38.685 38.487 -0.316 0.000 1.305 234 N HN 0.523 nan 8.380 nan 0.000 0.509 235 R N 1.193 121.653 120.500 -0.067 0.000 2.133 235 R HA -0.212 4.116 4.340 -0.021 0.000 0.245 235 R C 1.119 177.425 176.300 0.009 0.000 1.137 235 R CA 1.579 57.660 56.100 -0.032 0.000 0.947 235 R CB -0.240 30.038 30.300 -0.036 0.000 0.865 235 R HN 0.618 nan 8.270 nan 0.000 0.437 236 E N 0.383 120.612 120.200 0.049 0.000 2.055 236 E HA -0.279 4.059 4.350 -0.021 0.000 0.209 236 E C 2.019 178.811 176.600 0.319 0.000 1.036 236 E CA 2.007 58.508 56.400 0.169 0.000 0.849 236 E CB -0.159 29.799 29.700 0.430 0.000 0.767 236 E HN 0.434 nan 8.360 nan 0.000 0.461 237 E N 0.526 120.896 120.200 0.283 0.000 2.153 237 E HA -0.223 4.115 4.350 -0.021 0.000 0.194 237 E C 1.826 178.572 176.600 0.244 0.000 0.988 237 E CA 1.151 57.738 56.400 0.311 0.000 0.811 237 E CB 0.069 29.785 29.700 0.027 0.000 0.746 237 E HN 0.249 nan 8.360 nan 0.000 0.466 238 E N 0.217 120.486 120.200 0.115 0.000 2.153 238 E HA -0.249 4.089 4.350 -0.021 0.000 0.194 238 E C 2.249 178.898 176.600 0.081 0.000 0.988 238 E CA 1.305 57.751 56.400 0.077 0.000 0.811 238 E CB -0.066 29.644 29.700 0.015 0.000 0.746 238 E HN 0.513 nan 8.360 nan 0.000 0.466 239 Q N 0.211 120.059 119.800 0.081 0.000 2.124 239 Q HA -0.257 4.071 4.340 -0.021 0.000 0.202 239 Q C 2.121 178.167 176.000 0.075 0.000 0.977 239 Q CA 1.592 57.417 55.803 0.036 0.000 0.850 239 Q CB -0.742 27.979 28.738 -0.028 0.000 0.901 239 Q HN 0.426 nan 8.270 nan 0.000 0.429 240 Y N 1.644 121.987 120.300 0.071 0.000 2.128 240 Y HA -0.220 4.317 4.550 -0.022 0.000 0.284 240 Y C 1.914 177.833 175.900 0.032 0.000 1.154 240 Y CA 1.796 59.945 58.100 0.081 0.000 1.149 240 Y CB -0.222 38.344 38.460 0.176 0.000 0.976 240 Y HN 0.072 nan 8.280 nan 0.000 0.505 241 L N -0.085 121.142 121.223 0.007 0.000 2.027 241 L HA -0.194 4.133 4.340 -0.021 0.000 0.206 241 L C 2.625 179.408 176.870 -0.146 0.000 1.074 241 L CA 1.606 56.377 54.840 -0.115 0.000 0.745 241 L CB -0.780 41.310 42.059 0.052 0.000 0.898 241 L HN 0.369 nan 8.230 nan 0.000 0.433 242 S N -0.474 115.178 115.700 -0.080 0.000 2.547 242 S HA -0.112 4.345 4.470 -0.021 0.000 0.235 242 S C 1.717 176.254 174.600 -0.105 0.000 0.980 242 S CA 0.460 58.614 58.200 -0.077 0.000 0.941 242 S CB -0.254 62.917 63.200 -0.049 0.000 0.763 242 S HN 0.242 nan 8.310 nan 0.000 0.532 243 L N 1.691 122.822 121.223 -0.153 0.000 2.127 243 L HA 0.245 4.573 4.340 -0.021 0.000 0.203 243 L C 2.365 179.120 176.870 -0.192 0.000 1.080 243 L CA 1.093 55.833 54.840 -0.166 0.000 0.768 243 L CB -0.940 41.008 42.059 -0.185 0.000 0.924 243 L HN 0.186 nan 8.230 nan 0.000 0.444 244 V N 0.164 119.908 119.914 -0.283 0.000 2.287 244 V HA -0.309 3.799 4.120 -0.021 0.000 0.248 244 V C 2.362 178.374 176.094 -0.136 0.000 1.053 244 V CA 2.076 64.230 62.300 -0.243 0.000 1.027 244 V CB -0.741 30.884 31.823 -0.330 0.000 0.646 244 V HN 0.500 nan 8.190 nan 0.000 0.447 245 D N -0.293 120.036 120.400 -0.118 0.000 2.144 245 D HA -0.186 4.441 4.640 -0.021 0.000 0.199 245 D C 2.371 178.633 176.300 -0.064 0.000 0.984 245 D CA 1.305 55.260 54.000 -0.075 0.000 0.834 245 D CB -0.156 40.607 40.800 -0.063 0.000 0.955 245 D HN 0.228 nan 8.370 nan 0.000 0.465 246 R N -0.265 120.191 120.500 -0.073 0.000 2.081 246 R HA -0.037 4.291 4.340 -0.021 0.000 0.235 246 R C 2.442 178.711 176.300 -0.052 0.000 1.131 246 R CA 0.921 56.986 56.100 -0.058 0.000 0.960 246 R CB -0.170 30.093 30.300 -0.062 0.000 0.856 246 R HN 0.305 nan 8.270 nan 0.000 0.436 247 I N 0.387 120.919 120.570 -0.063 0.000 2.179 247 I HA -0.311 3.847 4.170 -0.021 0.000 0.242 247 I C 2.205 178.298 176.117 -0.041 0.000 1.088 247 I CA 1.448 62.717 61.300 -0.052 0.000 1.357 247 I CB -0.293 37.670 38.000 -0.062 0.000 1.051 247 I HN 0.204 nan 8.210 nan 0.000 0.409 248 I N 0.464 121.009 120.570 -0.042 0.000 2.226 248 I HA -0.274 3.884 4.170 -0.021 0.000 0.245 248 I C 2.700 178.802 176.117 -0.025 0.000 1.100 248 I CA 1.452 62.735 61.300 -0.028 0.000 1.374 248 I CB -0.307 37.678 38.000 -0.024 0.000 1.057 248 I HN 0.141 nan 8.210 nan 0.000 0.413 249 R N 0.133 120.616 120.500 -0.028 0.000 2.093 249 R HA -0.039 4.289 4.340 -0.021 0.000 0.224 249 R C 1.376 177.663 176.300 -0.022 0.000 1.101 249 R CA 1.035 57.121 56.100 -0.023 0.000 0.979 249 R CB -0.008 30.278 30.300 -0.024 0.000 0.877 249 R HN 0.363 nan 8.270 nan 0.000 0.441 250 E N -0.564 119.621 120.200 -0.025 0.000 2.641 250 E HA 0.136 4.474 4.350 -0.021 0.000 0.224 250 E C 0.068 176.655 176.600 -0.021 0.000 0.951 250 E CA -0.402 55.985 56.400 -0.021 0.000 1.102 250 E CB 1.378 31.066 29.700 -0.021 0.000 1.091 250 E HN 0.224 nan 8.360 nan 0.000 0.507 251 G N 1.012 109.796 108.800 -0.026 0.000 2.527 251 G HA2 0.063 4.010 3.960 -0.021 0.000 0.248 251 G HA3 0.063 4.010 3.960 -0.021 0.000 0.248 251 G C -0.014 174.865 174.900 -0.035 0.000 1.231 251 G CA -0.465 44.617 45.100 -0.028 0.000 0.838 251 G HN 0.040 nan 8.290 nan 0.000 0.570 252 N N -0.076 118.600 118.700 -0.039 0.000 2.514 252 N HA 0.138 4.866 4.740 -0.021 0.000 0.277 252 N C 0.164 175.620 175.510 -0.090 0.000 1.126 252 N CA -0.323 52.695 53.050 -0.053 0.000 0.978 252 N CB 2.004 40.462 38.487 -0.049 0.000 1.106 252 N HN 0.160 nan 8.380 nan 0.000 0.461 253 V N 3.024 122.878 119.914 -0.099 0.000 2.529 253 V HA 0.103 4.211 4.120 -0.021 0.000 0.292 253 V C 0.649 176.581 176.094 -0.270 0.000 1.028 253 V CA 0.233 62.430 62.300 -0.173 0.000 1.074 253 V CB -0.188 31.565 31.823 -0.118 0.000 0.958 253 V HN 0.494 nan 8.190 nan 0.000 0.481 254 K N 3.298 123.439 120.400 -0.432 0.000 2.480 254 K HA 0.629 4.936 4.320 -0.021 0.000 0.258 254 K C -1.405 174.786 176.600 -0.681 0.000 0.990 254 K CA -0.998 55.034 56.287 -0.425 0.000 0.857 254 K CB 2.607 34.965 32.500 -0.237 0.000 1.384 254 K HN 0.793 nan 8.250 nan 0.000 0.446 255 H N 0.458 119.494 119.070 -0.057 0.000 3.013 255 H HA 0.133 4.677 4.556 -0.020 0.000 0.326 255 H C -0.589 174.720 175.328 -0.032 0.000 0.973 255 H CA -0.886 55.141 56.048 -0.036 0.000 1.369 255 H CB 1.195 30.948 29.762 -0.016 0.000 1.598 255 H HN 0.596 nan 8.280 nan 0.000 0.518 256 D N 1.477 121.915 120.400 0.063 0.000 2.380 256 D HA -0.012 4.616 4.640 -0.021 0.000 0.254 256 D C 1.430 177.772 176.300 0.071 0.000 1.288 256 D CA -0.685 53.340 54.000 0.041 0.000 1.008 256 D CB 0.934 41.756 40.800 0.037 0.000 1.099 256 D HN 0.654 nan 8.370 nan 0.000 0.537 257 R N -1.093 119.447 120.500 0.066 0.000 2.083 257 R HA -0.147 4.180 4.340 -0.021 0.000 0.237 257 R C 2.049 178.388 176.300 0.065 0.000 1.137 257 R CA 1.957 58.097 56.100 0.066 0.000 0.951 257 R CB -1.876 28.470 30.300 0.077 0.000 0.851 257 R HN 0.660 nan 8.270 nan 0.000 0.434 258 T N -2.036 112.561 114.554 0.072 0.000 2.555 258 T HA -0.075 4.262 4.350 -0.021 0.000 0.264 258 T C 1.813 176.543 174.700 0.050 0.000 1.083 258 T CA 1.497 63.631 62.100 0.057 0.000 1.179 258 T CB -0.619 68.273 68.868 0.041 0.000 0.863 258 T HN 0.602 nan 8.240 nan 0.000 0.412 259 G N -0.108 108.734 108.800 0.069 0.000 3.288 259 G HA2 0.117 4.065 3.960 -0.021 0.000 0.219 259 G HA3 0.117 4.065 3.960 -0.021 0.000 0.219 259 G C -0.029 174.941 174.900 0.116 0.000 0.944 259 G CA -0.202 44.941 45.100 0.073 0.000 0.854 259 G HN 0.722 nan 8.290 nan 0.000 0.632 260 V N 1.384 121.373 119.914 0.125 0.000 2.872 260 V HA 0.522 4.630 4.120 -0.021 0.000 0.307 260 V C 1.457 177.673 176.094 0.204 0.000 1.072 260 V CA 0.336 62.731 62.300 0.158 0.000 1.148 260 V CB 1.044 32.960 31.823 0.155 0.000 0.954 260 V HN 0.569 nan 8.190 nan 0.000 0.490 261 G N 2.532 111.443 108.800 0.185 0.000 2.390 261 G HA2 0.552 4.499 3.960 -0.021 0.000 0.270 261 G HA3 0.552 4.499 3.960 -0.021 0.000 0.270 261 G C 0.039 174.916 174.900 -0.039 0.000 1.211 261 G CA 0.195 45.340 45.100 0.075 0.000 0.842 261 G HN 1.009 nan 8.290 nan 0.000 0.519 262 T N -0.631 113.789 114.554 -0.224 0.000 2.930 262 T HA 0.709 5.047 4.350 -0.021 0.000 0.290 262 T C -0.382 174.191 174.700 -0.212 0.000 1.052 262 T CA -0.918 61.008 62.100 -0.290 0.000 1.017 262 T CB 1.705 70.300 68.868 -0.454 0.000 1.137 262 T HN 0.300 nan 8.240 nan 0.000 0.511 263 L N 2.311 123.445 121.223 -0.147 0.000 2.313 263 L HA 0.711 5.039 4.340 -0.021 0.000 0.283 263 L C 0.128 176.960 176.870 -0.064 0.000 1.013 263 L CA -0.745 54.037 54.840 -0.097 0.000 0.816 263 L CB 1.919 43.943 42.059 -0.058 0.000 1.236 263 L HN 1.032 nan 8.230 nan 0.000 0.419 264 S N 3.280 118.949 115.700 -0.052 0.000 2.569 264 S HA 0.854 5.312 4.470 -0.021 0.000 0.280 264 S C -0.770 173.838 174.600 0.014 0.000 1.111 264 S CA -0.760 57.441 58.200 0.001 0.000 0.887 264 S CB 2.261 65.466 63.200 0.008 0.000 1.095 264 S HN 0.498 nan 8.310 nan 0.000 0.476 265 I N -0.982 119.613 120.570 0.042 0.000 2.910 265 I HA 0.868 5.025 4.170 -0.021 0.000 0.310 265 I C -1.311 174.906 176.117 0.166 0.000 1.043 265 I CA -1.139 60.201 61.300 0.067 0.000 1.053 265 I CB 1.509 39.519 38.000 0.016 0.000 1.242 265 I HN 0.620 nan 8.210 nan 0.000 0.452 266 F N 3.199 123.131 119.950 -0.029 0.000 2.403 266 F HA 0.769 5.285 4.527 -0.018 0.000 0.355 266 F C 0.321 176.105 175.800 -0.026 0.000 1.119 266 F CA -0.471 57.515 58.000 -0.023 0.000 1.007 266 F CB 0.739 39.730 39.000 -0.015 0.000 1.194 266 F HN 1.032 nan 8.300 nan 0.000 0.443 267 G N 4.166 112.686 108.800 -0.466 0.000 3.399 267 G HA2 0.485 4.432 3.960 -0.021 0.000 0.685 267 G HA3 0.485 4.432 3.960 -0.021 0.000 0.685 267 G C -1.197 173.552 174.900 -0.252 0.000 0.952 267 G CA -0.287 44.510 45.100 -0.505 0.000 0.793 267 G HN 1.706 nan 8.290 nan 0.000 0.492 268 A N 2.431 125.130 122.820 -0.201 0.000 2.599 268 A HA 0.962 5.269 4.320 -0.021 0.000 0.290 268 A C -0.510 176.993 177.584 -0.135 0.000 1.101 268 A CA 0.012 51.960 52.037 -0.148 0.000 0.674 268 A CB 1.888 20.808 19.000 -0.133 0.000 1.277 268 A HN 1.399 nan 8.150 nan 0.000 0.419 269 Q N 0.150 119.881 119.800 -0.115 0.000 2.359 269 Q HA 0.774 5.101 4.340 -0.021 0.000 0.274 269 Q C -1.569 174.364 176.000 -0.111 0.000 1.074 269 Q CA -0.431 55.315 55.803 -0.095 0.000 0.810 269 Q CB 2.036 30.724 28.738 -0.084 0.000 1.342 269 Q HN 0.805 nan 8.270 nan 0.000 0.427 270 M N 1.737 121.278 119.600 -0.098 0.000 2.619 270 M HA 0.624 5.091 4.480 -0.021 0.000 0.297 270 M C -1.061 175.083 176.300 -0.261 0.000 1.229 270 M CA -0.666 54.516 55.300 -0.197 0.000 0.860 270 M CB 2.764 35.269 32.600 -0.159 0.000 1.741 270 M HN 0.455 nan 8.290 nan 0.000 0.462 271 R N 0.698 120.870 120.500 -0.546 0.000 2.795 271 R HA 0.797 5.124 4.340 -0.021 0.000 0.275 271 R C -1.891 173.877 176.300 -0.887 0.000 0.981 271 R CA -0.631 55.196 56.100 -0.455 0.000 0.917 271 R CB 2.285 32.443 30.300 -0.237 0.000 1.202 271 R HN 0.475 nan 8.270 nan 0.000 0.469 272 F N -0.398 119.574 119.950 0.037 0.000 2.588 272 F HA 0.230 4.749 4.527 -0.013 0.000 0.318 272 F C 0.200 176.011 175.800 0.019 0.000 1.155 272 F CA -0.730 57.289 58.000 0.031 0.000 0.967 272 F CB 2.268 41.254 39.000 -0.025 0.000 1.236 272 F HN 0.307 nan 8.300 nan 0.000 0.455 273 S N 2.582 118.395 115.700 0.188 0.000 2.498 273 S HA 0.226 4.684 4.470 -0.021 0.000 0.281 273 S C 0.562 175.226 174.600 0.105 0.000 1.265 273 S CA -0.328 57.947 58.200 0.125 0.000 1.071 273 S CB 0.215 63.479 63.200 0.106 0.000 0.894 273 S HN 0.553 nan 8.310 nan 0.000 0.491 274 L N 5.059 126.338 121.223 0.092 0.000 2.607 274 L HA 0.320 4.647 4.340 -0.021 0.000 0.228 274 L C 1.217 178.138 176.870 0.086 0.000 1.123 274 L CA 0.515 55.397 54.840 0.070 0.000 0.890 274 L CB -0.756 41.355 42.059 0.085 0.000 1.103 274 L HN 0.606 nan 8.230 nan 0.000 0.468 275 R N 1.570 122.126 120.500 0.093 0.000 2.538 275 R HA -0.010 4.317 4.340 -0.021 0.000 0.282 275 R C 0.380 176.760 176.300 0.132 0.000 1.009 275 R CA 0.019 56.177 56.100 0.097 0.000 1.063 275 R CB -0.087 30.258 30.300 0.075 0.000 0.945 275 R HN 0.234 nan 8.270 nan 0.000 0.414 276 N N 2.555 121.331 118.700 0.126 0.000 2.725 276 N HA -0.228 4.500 4.740 -0.021 0.000 0.249 276 N C -0.792 174.850 175.510 0.220 0.000 1.103 276 N CA 1.097 54.237 53.050 0.151 0.000 0.707 276 N CB -0.964 37.608 38.487 0.142 0.000 1.043 276 N HN 0.741 nan 8.380 nan 0.000 0.553 277 N N -1.183 117.625 118.700 0.179 0.000 2.714 277 N HA -0.219 4.508 4.740 -0.021 0.000 0.250 277 N C 0.229 175.826 175.510 0.144 0.000 1.117 277 N CA 1.249 54.395 53.050 0.159 0.000 0.719 277 N CB -1.065 37.523 38.487 0.169 0.000 1.081 277 N HN 0.605 nan 8.380 nan 0.000 0.557 278 R N 0.434 121.000 120.500 0.110 0.000 2.623 278 R HA 0.282 4.609 4.340 -0.021 0.000 0.271 278 R C -0.171 175.977 176.300 -0.252 0.000 1.043 278 R CA 0.039 55.987 56.100 -0.253 0.000 1.083 278 R CB 0.273 30.488 30.300 -0.141 0.000 0.974 278 R HN 0.263 nan 8.270 nan 0.000 0.436 279 L N 7.195 128.171 121.223 -0.410 0.000 2.415 279 L HA 0.438 4.766 4.340 -0.021 0.000 0.268 279 L C -2.288 174.179 176.870 -0.672 0.000 0.984 279 L CA -1.978 52.609 54.840 -0.421 0.000 0.853 279 L CB 2.110 43.922 42.059 -0.412 0.000 1.215 279 L HN 0.578 nan 8.230 nan 0.000 0.419 280 P HA 0.060 nan 4.420 nan 0.000 0.244 280 P C -0.605 176.074 177.300 -1.034 0.000 1.723 280 P CA 0.218 62.273 63.100 -1.741 0.000 1.110 280 P CB -0.230 30.587 31.700 -1.472 0.000 1.972 281 L N 2.704 123.536 121.223 -0.651 0.000 2.290 281 L HA 0.259 4.586 4.340 -0.021 0.000 0.284 281 L C 1.095 178.053 176.870 0.146 0.000 1.078 281 L CA -0.913 53.754 54.840 -0.289 0.000 0.815 281 L CB 0.799 42.548 42.059 -0.516 0.000 1.162 281 L HN 0.081 nan 8.230 nan 0.000 0.435 282 L N 3.207 124.513 121.223 0.137 0.000 2.455 282 L HA 0.021 4.349 4.340 -0.021 0.000 0.272 282 L C 1.584 178.655 176.870 0.336 0.000 1.174 282 L CA -0.106 54.882 54.840 0.247 0.000 0.869 282 L CB 0.975 43.005 42.059 -0.048 0.000 1.130 282 L HN 0.769 nan 8.230 nan 0.000 0.474 283 T N -2.981 111.734 114.554 0.268 0.000 2.896 283 T HA -0.141 4.196 4.350 -0.021 0.000 0.263 283 T C 1.700 176.527 174.700 0.211 0.000 1.050 283 T CA 1.054 63.265 62.100 0.184 0.000 1.140 283 T CB -0.444 68.489 68.868 0.108 0.000 0.877 283 T HN 0.760 nan 8.240 nan 0.000 0.457 284 T N -0.445 114.181 114.554 0.120 0.000 3.077 284 T HA 0.047 4.385 4.350 -0.021 0.000 0.269 284 T C 0.421 175.129 174.700 0.013 0.000 1.146 284 T CA 0.727 62.817 62.100 -0.017 0.000 1.091 284 T CB -0.487 68.360 68.868 -0.036 0.000 0.892 284 T HN 0.669 nan 8.240 nan 0.000 0.533 285 K N 0.569 121.026 120.400 0.096 0.000 2.580 285 K HA 0.326 4.633 4.320 -0.021 0.000 0.258 285 K C -1.038 175.655 176.600 0.156 0.000 0.936 285 K CA -0.761 55.586 56.287 0.100 0.000 0.852 285 K CB 1.265 33.808 32.500 0.072 0.000 1.329 285 K HN 0.142 nan 8.250 nan 0.000 0.430 286 R N 3.451 124.049 120.500 0.162 0.000 2.449 286 R HA 0.334 4.661 4.340 -0.021 0.000 0.296 286 R C -0.777 175.688 176.300 0.276 0.000 1.047 286 R CA -0.386 55.873 56.100 0.264 0.000 1.018 286 R CB 0.457 30.879 30.300 0.204 0.000 0.962 286 R HN 0.426 nan 8.270 nan 0.000 0.428 287 V N 5.002 125.117 119.914 0.336 0.000 2.863 287 V HA 0.170 4.278 4.120 -0.021 0.000 0.307 287 V C 0.208 176.492 176.094 0.316 0.000 1.061 287 V CA -0.652 61.794 62.300 0.244 0.000 1.024 287 V CB 1.050 32.937 31.823 0.107 0.000 1.049 287 V HN 0.686 nan 8.190 nan 0.000 0.471 288 F N 3.893 123.919 119.950 0.126 0.000 2.640 288 F HA 0.171 4.685 4.527 -0.022 0.000 0.354 288 F C 1.012 176.810 175.800 -0.004 0.000 1.213 288 F CA -1.294 56.770 58.000 0.106 0.000 1.314 288 F CB -0.392 38.703 39.000 0.159 0.000 1.679 288 F HN 0.780 nan 8.300 nan 0.000 0.622 289 W N 3.687 124.851 121.300 -0.227 0.000 2.318 289 W HA -0.273 4.374 4.660 -0.022 0.000 0.313 289 W C 1.871 178.081 176.519 -0.514 0.000 1.221 289 W CA 1.916 59.020 57.345 -0.401 0.000 1.266 289 W CB -0.327 28.918 29.460 -0.358 0.000 1.150 289 W HN 0.456 nan 8.180 nan 0.000 0.496 290 R N 0.344 120.506 120.500 -0.562 0.000 2.103 290 R HA -0.160 4.168 4.340 -0.021 0.000 0.242 290 R C 2.577 178.323 176.300 -0.922 0.000 1.142 290 R CA 2.317 58.027 56.100 -0.650 0.000 0.960 290 R CB -1.010 29.037 30.300 -0.421 0.000 0.858 290 R HN 0.276 nan 8.270 nan 0.000 0.439 291 G N -0.276 107.682 108.800 -1.404 0.000 2.394 291 G HA2 -0.180 3.767 3.960 -0.021 0.000 0.214 291 G HA3 -0.180 3.767 3.960 -0.021 0.000 0.214 291 G C 1.419 176.005 174.900 -0.523 0.000 1.176 291 G CA 0.729 45.333 45.100 -0.826 0.000 0.786 291 G HN 0.200 nan 8.290 nan 0.000 0.533 292 V N 0.673 120.108 119.914 -0.799 0.000 2.222 292 V HA -0.329 3.779 4.120 -0.021 0.000 0.252 292 V C 3.008 178.594 176.094 -0.847 0.000 1.060 292 V CA 2.113 63.768 62.300 -1.074 0.000 1.027 292 V CB -1.144 29.893 31.823 -1.308 0.000 0.644 292 V HN 0.595 nan 8.190 nan 0.000 0.448 293 C N 0.076 118.676 119.300 -1.167 0.000 2.413 293 C HA -0.156 4.292 4.460 -0.021 0.000 0.276 293 C C 2.790 177.497 174.990 -0.472 0.000 1.236 293 C CA 1.425 59.891 59.018 -0.919 0.000 1.735 293 C CB -1.185 25.900 27.740 -1.092 0.000 2.031 293 C HN 0.634 nan 8.230 nan 0.000 0.474 294 E N 0.277 120.210 120.200 -0.445 0.000 2.110 294 E HA -0.202 4.135 4.350 -0.021 0.000 0.193 294 E C 2.166 178.641 176.600 -0.208 0.000 0.988 294 E CA 1.304 57.547 56.400 -0.263 0.000 0.804 294 E CB -0.545 28.994 29.700 -0.267 0.000 0.745 294 E HN 0.792 nan 8.360 nan 0.000 0.458 295 E N 0.529 120.562 120.200 -0.278 0.000 2.072 295 E HA -0.143 4.194 4.350 -0.021 0.000 0.190 295 E C 2.297 178.660 176.600 -0.396 0.000 0.982 295 E CA 0.388 56.588 56.400 -0.332 0.000 0.803 295 E CB 0.008 29.547 29.700 -0.269 0.000 0.755 295 E HN 0.106 nan 8.360 nan 0.000 0.453 296 L N 0.681 121.750 121.223 -0.257 0.000 2.093 296 L HA -0.151 4.177 4.340 -0.021 0.000 0.208 296 L C 2.139 179.076 176.870 0.112 0.000 1.085 296 L CA 0.971 55.804 54.840 -0.012 0.000 0.755 296 L CB -0.191 41.881 42.059 0.022 0.000 0.904 296 L HN 0.153 nan 8.230 nan 0.000 0.435 297 L N -1.389 119.867 121.223 0.054 0.000 2.131 297 L HA -0.192 4.136 4.340 -0.021 0.000 0.210 297 L C 2.113 179.085 176.870 0.170 0.000 1.092 297 L CA 1.645 56.560 54.840 0.124 0.000 0.759 297 L CB -1.441 40.680 42.059 0.103 0.000 0.903 297 L HN 0.524 nan 8.230 nan 0.000 0.435 298 W N -0.287 120.961 121.300 -0.087 0.000 2.354 298 W HA -0.264 4.383 4.660 -0.021 0.000 0.315 298 W C 2.453 178.967 176.519 -0.008 0.000 1.206 298 W CA 1.443 58.733 57.345 -0.091 0.000 1.290 298 W CB -0.445 28.881 29.460 -0.223 0.000 1.152 298 W HN 0.075 nan 8.180 nan 0.000 0.489 299 F N 0.393 120.389 119.950 0.077 0.000 2.063 299 F HA -0.274 4.241 4.527 -0.021 0.000 0.298 299 F C 2.417 178.107 175.800 -0.183 0.000 1.109 299 F CA 1.616 59.448 58.000 -0.280 0.000 1.212 299 F CB -1.648 37.104 39.000 -0.414 0.000 0.973 299 F HN -0.122 nan 8.300 nan 0.000 0.480 300 L N -0.592 120.793 121.223 0.270 0.000 2.191 300 L HA -0.196 4.131 4.340 -0.021 0.000 0.212 300 L C 2.372 179.326 176.870 0.141 0.000 1.103 300 L CA 1.143 56.149 54.840 0.277 0.000 0.769 300 L CB -0.353 41.851 42.059 0.240 0.000 0.908 300 L HN 0.099 nan 8.230 nan 0.000 0.438 301 R N -0.329 120.211 120.500 0.068 0.000 2.275 301 R HA 0.065 4.393 4.340 -0.021 0.000 0.199 301 R C 1.178 177.473 176.300 -0.008 0.000 0.989 301 R CA 0.620 56.738 56.100 0.030 0.000 1.016 301 R CB -0.022 30.291 30.300 0.020 0.000 0.918 301 R HN 0.418 nan 8.270 nan 0.000 0.473 302 G N 2.013 110.776 108.800 -0.062 0.000 2.182 302 G HA2 -0.297 3.651 3.960 -0.021 0.000 0.248 302 G HA3 -0.297 3.651 3.960 -0.021 0.000 0.248 302 G C -0.248 174.586 174.900 -0.111 0.000 1.042 302 G CA 0.096 45.159 45.100 -0.062 0.000 0.775 302 G HN 0.348 nan 8.290 nan 0.000 0.501 303 E N -1.070 118.875 120.200 -0.426 0.000 2.371 303 E HA 0.733 5.070 4.350 -0.021 0.000 0.257 303 E C 1.387 177.478 176.600 -0.849 0.000 1.134 303 E CA 0.728 56.738 56.400 -0.650 0.000 0.919 303 E CB 0.706 29.739 29.700 -1.112 0.000 1.025 303 E HN 0.132 nan 8.360 nan 0.000 0.438 304 T N 0.491 114.819 114.554 -0.375 0.000 3.304 304 T HA -0.022 4.315 4.350 -0.021 0.000 0.269 304 T C -0.829 174.022 174.700 0.252 0.000 0.895 304 T CA -0.290 61.748 62.100 -0.104 0.000 0.948 304 T CB -0.280 68.606 68.868 0.030 0.000 1.242 304 T HN 0.446 nan 8.240 nan 0.000 0.522 305 Y N 3.875 124.262 120.300 0.144 0.000 2.730 305 Y HA 0.459 4.997 4.550 -0.021 0.000 0.357 305 Y C 1.422 177.466 175.900 0.240 0.000 1.167 305 Y CA -1.040 57.062 58.100 0.004 0.000 1.579 305 Y CB -0.079 38.256 38.460 -0.209 0.000 1.262 305 Y HN 0.238 nan 8.280 nan 0.000 0.510 306 A N 4.843 127.615 122.820 -0.079 0.000 2.178 306 A HA -0.161 4.146 4.320 -0.021 0.000 0.218 306 A C 2.188 179.576 177.584 -0.327 0.000 1.157 306 A CA 1.372 53.288 52.037 -0.202 0.000 0.689 306 A CB -0.358 18.529 19.000 -0.189 0.000 0.787 306 A HN 0.799 nan 8.150 nan 0.000 0.465 307 K N -0.298 119.765 120.400 -0.561 0.000 2.296 307 K HA -0.035 4.272 4.320 -0.021 0.000 0.200 307 K C 1.730 178.270 176.600 -0.101 0.000 1.048 307 K CA 0.872 56.932 56.287 -0.378 0.000 0.966 307 K CB -0.060 32.129 32.500 -0.518 0.000 0.754 307 K HN 0.448 nan 8.250 nan 0.000 0.466 308 K N 0.224 120.649 120.400 0.042 0.000 2.089 308 K HA -0.187 4.121 4.320 -0.021 0.000 0.210 308 K C 1.709 178.294 176.600 -0.026 0.000 1.048 308 K CA 1.272 57.645 56.287 0.143 0.000 0.926 308 K CB -0.044 32.670 32.500 0.356 0.000 0.714 308 K HN 0.015 nan 8.250 nan 0.000 0.448 309 L N 0.378 121.467 121.223 -0.223 0.000 2.072 309 L HA -0.074 4.253 4.340 -0.021 0.000 0.205 309 L C 2.341 179.095 176.870 -0.193 0.000 1.079 309 L CA 1.475 56.132 54.840 -0.305 0.000 0.752 309 L CB -1.028 40.711 42.059 -0.532 0.000 0.906 309 L HN 0.080 nan 8.230 nan 0.000 0.436 310 S N -0.369 115.253 115.700 -0.130 0.000 2.351 310 S HA -0.214 4.244 4.470 -0.021 0.000 0.220 310 S C 1.591 176.189 174.600 -0.004 0.000 1.035 310 S CA 1.601 59.790 58.200 -0.019 0.000 1.031 310 S CB -0.242 62.996 63.200 0.064 0.000 0.928 310 S HN 0.462 nan 8.310 nan 0.000 0.433 311 D N 0.873 121.284 120.400 0.019 0.000 2.218 311 D HA -0.138 4.489 4.640 -0.021 0.000 0.194 311 D C 1.427 177.736 176.300 0.016 0.000 1.007 311 D CA 1.343 55.369 54.000 0.043 0.000 0.879 311 D CB -0.182 40.656 40.800 0.065 0.000 0.918 311 D HN 0.378 nan 8.370 nan 0.000 0.449 312 K N -0.758 119.624 120.400 -0.029 0.000 2.504 312 K HA 0.274 4.582 4.320 -0.021 0.000 0.199 312 K C 0.857 177.404 176.600 -0.087 0.000 1.028 312 K CA 0.352 56.612 56.287 -0.044 0.000 1.164 312 K CB 0.429 32.898 32.500 -0.051 0.000 0.877 312 K HN 0.182 nan 8.250 nan 0.000 0.508 313 G N 0.582 109.300 108.800 -0.136 0.000 2.160 313 G HA2 -0.228 3.720 3.960 -0.021 0.000 0.251 313 G HA3 -0.228 3.720 3.960 -0.021 0.000 0.251 313 G C -0.117 174.527 174.900 -0.426 0.000 1.008 313 G CA 0.019 44.973 45.100 -0.243 0.000 0.724 313 G HN 0.164 nan 8.290 nan 0.000 0.514 314 V N 0.949 120.595 119.914 -0.447 0.000 2.313 314 V HA 0.469 4.576 4.120 -0.021 0.000 0.278 314 V C -0.063 175.824 176.094 -0.344 0.000 1.017 314 V CA -0.761 61.376 62.300 -0.271 0.000 0.823 314 V CB 1.041 32.772 31.823 -0.154 0.000 1.010 314 V HN 0.438 nan 8.190 nan 0.000 0.443 315 H N 5.438 124.518 119.070 0.016 0.000 2.632 315 H HA 0.473 5.017 4.556 -0.021 0.000 0.258 315 H C 0.698 175.967 175.328 -0.097 0.000 1.278 315 H CA -0.474 55.545 56.048 -0.048 0.000 1.352 315 H CB 0.769 30.499 29.762 -0.054 0.000 1.418 315 H HN 0.740 nan 8.280 nan 0.000 0.513 316 I N -3.127 117.406 120.570 -0.063 0.000 4.228 316 I HA 0.182 4.339 4.170 -0.021 0.000 0.298 316 I C 0.786 176.715 176.117 -0.312 0.000 1.206 316 I CA -0.266 60.888 61.300 -0.244 0.000 1.322 316 I CB 0.269 38.025 38.000 -0.406 0.000 1.411 316 I HN 0.258 nan 8.210 nan 0.000 0.454 317 W N 2.937 124.140 121.300 -0.162 0.000 2.961 317 W HA 0.055 4.702 4.660 -0.021 0.000 0.240 317 W C 1.375 177.827 176.519 -0.111 0.000 1.305 317 W CA 0.399 57.660 57.345 -0.139 0.000 1.465 317 W CB -0.315 29.030 29.460 -0.192 0.000 1.135 317 W HN 0.193 nan 8.180 nan 0.000 0.688 318 D N 0.288 120.725 120.400 0.063 0.000 2.104 318 D HA -0.212 4.416 4.640 -0.021 0.000 0.194 318 D C 1.618 177.912 176.300 -0.009 0.000 0.994 318 D CA 1.682 55.698 54.000 0.027 0.000 0.830 318 D CB -0.350 40.457 40.800 0.012 0.000 0.959 318 D HN 0.022 nan 8.370 nan 0.000 0.452 319 D N 0.016 120.372 120.400 -0.074 0.000 2.097 319 D HA -0.067 4.560 4.640 -0.021 0.000 0.195 319 D C 1.332 177.528 176.300 -0.173 0.000 0.989 319 D CA 0.747 54.669 54.000 -0.130 0.000 0.827 319 D CB -0.289 40.390 40.800 -0.202 0.000 0.966 319 D HN 0.229 nan 8.370 nan 0.000 0.456 320 N N -0.140 118.445 118.700 -0.192 0.000 2.461 320 N HA 0.017 4.744 4.740 -0.021 0.000 0.188 320 N C 1.403 177.033 175.510 0.200 0.000 1.134 320 N CA 0.360 53.286 53.050 -0.207 0.000 0.878 320 N CB 0.754 39.173 38.487 -0.113 0.000 0.972 320 N HN 0.140 nan 8.380 nan 0.000 0.456 321 G N 0.384 109.280 108.800 0.160 0.000 3.062 321 G HA2 -0.035 3.912 3.960 -0.021 0.000 0.228 321 G HA3 -0.035 3.912 3.960 -0.021 0.000 0.228 321 G C 0.514 175.495 174.900 0.135 0.000 1.094 321 G CA -0.165 45.033 45.100 0.164 0.000 0.782 321 G HN 0.264 nan 8.290 nan 0.000 0.541 322 S N 0.123 115.901 115.700 0.129 0.000 2.568 322 S HA 0.173 4.631 4.470 -0.021 0.000 0.282 322 S C 1.458 176.136 174.600 0.131 0.000 1.338 322 S CA -0.115 58.150 58.200 0.108 0.000 1.045 322 S CB 1.901 65.157 63.200 0.093 0.000 0.873 322 S HN 0.268 nan 8.310 nan 0.000 0.516 323 R N 2.472 123.031 120.500 0.098 0.000 2.119 323 R HA -0.191 4.137 4.340 -0.021 0.000 0.246 323 R C 2.186 178.535 176.300 0.082 0.000 1.146 323 R CA 2.259 58.412 56.100 0.089 0.000 0.962 323 R CB -1.355 28.986 30.300 0.069 0.000 0.863 323 R HN 0.863 nan 8.270 nan 0.000 0.442 324 A N -0.010 122.862 122.820 0.087 0.000 1.834 324 A HA -0.195 4.113 4.320 -0.021 0.000 0.216 324 A C 2.190 179.832 177.584 0.096 0.000 1.203 324 A CA 1.615 53.701 52.037 0.081 0.000 0.621 324 A CB -1.243 17.811 19.000 0.089 0.000 0.841 324 A HN 0.507 nan 8.150 nan 0.000 0.446 325 F N 0.456 120.416 119.950 0.016 0.000 2.154 325 F HA -0.173 4.342 4.527 -0.021 0.000 0.301 325 F C 1.969 177.774 175.800 0.007 0.000 1.087 325 F CA 1.695 59.704 58.000 0.016 0.000 1.274 325 F CB -0.220 38.798 39.000 0.030 0.000 1.009 325 F HN 0.154 nan 8.300 nan 0.000 0.485 326 L N -0.406 120.867 121.223 0.085 0.000 2.046 326 L HA -0.239 4.088 4.340 -0.021 0.000 0.208 326 L C 2.212 179.001 176.870 -0.135 0.000 1.077 326 L CA 1.525 56.354 54.840 -0.018 0.000 0.747 326 L CB -0.784 41.320 42.059 0.075 0.000 0.896 326 L HN 0.065 nan 8.230 nan 0.000 0.432 327 D N -0.507 119.845 120.400 -0.080 0.000 2.117 327 D HA -0.153 4.475 4.640 -0.021 0.000 0.198 327 D C 2.359 178.568 176.300 -0.152 0.000 0.982 327 D CA 1.717 55.662 54.000 -0.091 0.000 0.828 327 D CB -0.059 40.719 40.800 -0.036 0.000 0.967 327 D HN 0.324 nan 8.370 nan 0.000 0.464 328 S N 0.438 116.017 115.700 -0.202 0.000 2.442 328 S HA -0.171 4.287 4.470 -0.021 0.000 0.236 328 S C 1.807 176.203 174.600 -0.340 0.000 1.007 328 S CA 0.795 58.843 58.200 -0.253 0.000 0.965 328 S CB 0.015 63.045 63.200 -0.283 0.000 0.773 328 S HN -0.013 nan 8.310 nan 0.000 0.504 329 R N 0.670 120.918 120.500 -0.420 0.000 2.427 329 R HA 0.365 4.693 4.340 -0.021 0.000 0.262 329 R C 1.222 177.365 176.300 -0.262 0.000 0.943 329 R CA 0.577 56.448 56.100 -0.381 0.000 1.081 329 R CB -0.446 29.560 30.300 -0.490 0.000 1.166 329 R HN 0.530 nan 8.270 nan 0.000 0.534 330 G N 0.677 109.346 108.800 -0.217 0.000 2.147 330 G HA2 -0.247 3.701 3.960 -0.021 0.000 0.244 330 G HA3 -0.247 3.701 3.960 -0.021 0.000 0.244 330 G C -0.177 174.600 174.900 -0.205 0.000 1.005 330 G CA 0.351 45.347 45.100 -0.173 0.000 0.713 330 G HN 0.280 nan 8.290 nan 0.000 0.515 331 L N 1.663 122.731 121.223 -0.258 0.000 2.475 331 L HA 0.294 4.622 4.340 -0.021 0.000 0.253 331 L C 1.892 178.667 176.870 -0.158 0.000 1.137 331 L CA -0.156 54.463 54.840 -0.368 0.000 1.058 331 L CB 0.199 41.872 42.059 -0.642 0.000 1.382 331 L HN 0.147 nan 8.230 nan 0.000 0.416 332 T N -0.570 113.941 114.554 -0.073 0.000 2.652 332 T HA -0.175 4.163 4.350 -0.021 0.000 0.267 332 T C 1.586 176.352 174.700 0.109 0.000 1.039 332 T CA 1.513 63.622 62.100 0.015 0.000 1.153 332 T CB 0.111 68.989 68.868 0.018 0.000 0.863 332 T HN 0.383 nan 8.240 nan 0.000 0.428 333 E N -0.217 120.093 120.200 0.184 0.000 2.358 333 E HA 0.070 4.408 4.350 -0.021 0.000 0.195 333 E C -0.362 176.555 176.600 0.529 0.000 1.010 333 E CA 0.186 56.784 56.400 0.330 0.000 0.856 333 E CB -0.138 29.760 29.700 0.330 0.000 0.795 333 E HN 0.495 nan 8.360 nan 0.000 0.504 334 Y N 1.911 122.330 120.300 0.199 0.000 2.377 334 Y HA 0.102 4.639 4.550 -0.021 0.000 0.330 334 Y C 0.885 176.907 175.900 0.204 0.000 1.108 334 Y CA -1.471 56.781 58.100 0.252 0.000 1.308 334 Y CB -0.151 38.413 38.460 0.173 0.000 1.216 334 Y HN 0.020 nan 8.280 nan 0.000 0.518 335 E N 1.462 121.872 120.200 0.350 0.000 2.392 335 E HA 0.104 4.442 4.350 -0.021 0.000 0.259 335 E C -0.413 176.336 176.600 0.248 0.000 1.108 335 E CA -0.803 55.750 56.400 0.254 0.000 0.916 335 E CB 0.725 30.565 29.700 0.234 0.000 0.989 335 E HN 0.657 nan 8.360 nan 0.000 0.432 336 E N 1.642 121.951 120.200 0.182 0.000 2.534 336 E HA -0.174 4.163 4.350 -0.021 0.000 0.264 336 E C 0.017 176.675 176.600 0.096 0.000 0.981 336 E CA 0.358 56.840 56.400 0.136 0.000 0.948 336 E CB 0.226 29.986 29.700 0.099 0.000 0.934 336 E HN 0.625 nan 8.360 nan 0.000 0.459 337 M N 0.991 120.618 119.600 0.046 0.000 2.908 337 M HA -0.222 4.245 4.480 -0.021 0.000 0.191 337 M C -0.643 175.600 176.300 -0.094 0.000 0.619 337 M CA 0.860 56.106 55.300 -0.090 0.000 0.709 337 M CB -2.029 30.385 32.600 -0.309 0.000 2.554 337 M HN 0.591 nan 8.290 nan 0.000 0.356 338 D N 0.817 121.280 120.400 0.106 0.000 2.193 338 D HA 0.592 5.220 4.640 -0.021 0.000 0.244 338 D C 0.748 177.191 176.300 0.238 0.000 1.064 338 D CA -0.313 53.797 54.000 0.183 0.000 0.845 338 D CB 0.915 41.899 40.800 0.307 0.000 1.148 338 D HN 0.379 nan 8.370 nan 0.000 0.464 339 L N 2.535 123.833 121.223 0.127 0.000 2.731 339 L HA 0.397 4.725 4.340 -0.021 0.000 0.240 339 L C 1.478 178.349 176.870 0.002 0.000 1.120 339 L CA -0.028 54.870 54.840 0.097 0.000 0.913 339 L CB -0.265 41.777 42.059 -0.027 0.000 1.213 339 L HN 0.662 nan 8.230 nan 0.000 0.515 340 G N 1.404 110.011 108.800 -0.322 0.000 2.632 340 G HA2 -0.210 3.737 3.960 -0.021 0.000 0.224 340 G HA3 -0.210 3.737 3.960 -0.021 0.000 0.224 340 G C -2.542 171.609 174.900 -1.249 0.000 1.341 340 G CA -0.556 43.922 45.100 -1.036 0.000 0.880 340 G HN 0.048 nan 8.290 nan 0.000 0.566 341 P HA 0.330 nan 4.420 nan 0.000 0.238 341 P C 0.583 177.671 177.300 -0.354 0.000 1.714 341 P CA 0.352 62.931 63.100 -0.868 0.000 0.908 341 P CB -0.435 30.916 31.700 -0.582 0.000 1.893 342 V N -3.481 116.243 119.914 -0.317 0.000 2.834 342 V HA 0.203 4.310 4.120 -0.021 0.000 0.301 342 V C 1.149 177.165 176.094 -0.129 0.000 1.066 342 V CA -0.587 61.587 62.300 -0.210 0.000 1.052 342 V CB -0.224 31.503 31.823 -0.159 0.000 1.021 342 V HN 0.193 nan 8.190 nan 0.000 0.480 343 Y N 3.204 123.386 120.300 -0.198 0.000 1.810 343 Y HA -0.431 4.106 4.550 -0.021 0.000 0.241 343 Y C 2.502 177.912 175.900 -0.816 0.000 0.788 343 Y CA 3.113 60.908 58.100 -0.508 0.000 1.597 343 Y CB -2.013 35.920 38.460 -0.877 0.000 0.618 343 Y HN 0.819 nan 8.280 nan 0.000 0.728 344 G N -1.491 106.857 108.800 -0.753 0.000 2.469 344 G HA2 -0.312 3.636 3.960 -0.021 0.000 0.220 344 G HA3 -0.312 3.636 3.960 -0.021 0.000 0.220 344 G C 1.433 176.234 174.900 -0.165 0.000 1.136 344 G CA 1.139 45.832 45.100 -0.678 0.000 0.759 344 G HN 0.480 nan 8.290 nan 0.000 0.562 345 F N 1.046 120.870 119.950 -0.209 0.000 2.075 345 F HA -0.088 4.426 4.527 -0.021 0.000 0.297 345 F C 2.909 178.738 175.800 0.048 0.000 1.113 345 F CA 1.874 59.844 58.000 -0.049 0.000 1.218 345 F CB -0.055 38.865 39.000 -0.133 0.000 0.984 345 F HN 0.057 nan 8.300 nan 0.000 0.472 346 Q N -0.286 119.677 119.800 0.272 0.000 2.181 346 Q HA -0.233 4.095 4.340 -0.021 0.000 0.205 346 Q C 2.004 178.279 176.000 0.458 0.000 0.980 346 Q CA 1.673 57.658 55.803 0.304 0.000 0.862 346 Q CB -0.977 27.942 28.738 0.300 0.000 0.905 346 Q HN 0.561 nan 8.270 nan 0.000 0.429 347 W N 0.736 122.113 121.300 0.128 0.000 2.358 347 W HA -0.100 4.548 4.660 -0.021 0.000 0.303 347 W C 2.051 178.513 176.519 -0.095 0.000 1.208 347 W CA 0.796 58.184 57.345 0.072 0.000 1.274 347 W CB -0.290 29.162 29.460 -0.013 0.000 1.138 347 W HN 0.143 nan 8.180 nan 0.000 0.515 348 R N -1.734 118.759 120.500 -0.012 0.000 2.225 348 R HA 0.079 4.406 4.340 -0.021 0.000 0.194 348 R C 0.341 176.203 176.300 -0.730 0.000 0.957 348 R CA 0.812 56.663 56.100 -0.414 0.000 1.042 348 R CB -0.640 29.293 30.300 -0.611 0.000 1.004 348 R HN 0.284 nan 8.270 nan 0.000 0.509 349 H N -0.786 118.112 119.070 -0.287 0.000 2.674 349 H HA 0.151 4.695 4.556 -0.021 0.000 0.235 349 H C -0.713 174.500 175.328 -0.192 0.000 1.330 349 H CA -0.913 54.910 56.048 -0.374 0.000 1.052 349 H CB -0.470 28.783 29.762 -0.848 0.000 1.954 349 H HN -0.071 nan 8.280 nan 0.000 0.566 350 F N 2.215 122.147 119.950 -0.030 0.000 2.593 350 F HA 0.220 4.734 4.527 -0.021 0.000 0.393 350 F C 1.439 177.291 175.800 0.087 0.000 1.037 350 F CA 1.934 59.976 58.000 0.071 0.000 1.195 350 F CB 0.304 39.358 39.000 0.092 0.000 1.034 350 F HN 0.629 nan 8.300 nan 0.000 0.552 351 G N 3.503 112.134 108.800 -0.281 0.000 2.195 351 G HA2 -0.168 3.780 3.960 -0.021 0.000 0.246 351 G HA3 -0.168 3.780 3.960 -0.021 0.000 0.246 351 G C 0.317 175.253 174.900 0.061 0.000 0.984 351 G CA -0.081 44.955 45.100 -0.107 0.000 0.633 351 G HN 1.391 nan 8.290 nan 0.000 0.525 352 A N 0.476 123.375 122.820 0.132 0.000 2.520 352 A HA 0.682 4.990 4.320 -0.021 0.000 0.245 352 A C 1.049 178.791 177.584 0.263 0.000 1.072 352 A CA 1.120 53.279 52.037 0.204 0.000 0.761 352 A CB 0.280 19.398 19.000 0.197 0.000 1.004 352 A HN 2.123 nan 8.150 nan 0.000 0.499 353 A N 2.662 125.601 122.820 0.198 0.000 2.451 353 A HA 0.440 4.747 4.320 -0.021 0.000 0.266 353 A C -0.166 177.550 177.584 0.220 0.000 1.119 353 A CA -0.059 52.072 52.037 0.156 0.000 0.786 353 A CB -0.313 18.742 19.000 0.092 0.000 1.061 353 A HN 0.860 nan 8.150 nan 0.000 0.503 354 Y N 2.503 122.783 120.300 -0.034 0.000 2.304 354 Y HA 0.358 4.896 4.550 -0.020 0.000 0.327 354 Y C 1.600 177.448 175.900 -0.087 0.000 1.209 354 Y CA 1.233 59.231 58.100 -0.169 0.000 1.299 354 Y CB 1.358 39.532 38.460 -0.476 0.000 1.249 354 Y HN 0.851 nan 8.280 nan 0.000 0.519 355 T N -0.070 114.169 114.554 -0.524 0.000 3.388 355 T HA 0.321 4.659 4.350 -0.021 0.000 0.254 355 T C -0.284 173.802 174.700 -1.023 0.000 1.002 355 T CA 0.026 61.806 62.100 -0.535 0.000 1.164 355 T CB 0.183 68.861 68.868 -0.317 0.000 1.184 355 T HN 0.610 nan 8.240 nan 0.000 0.399 356 H N -0.064 118.630 119.070 -0.628 0.000 2.990 356 H HA 0.357 4.900 4.556 -0.021 0.000 0.336 356 H C 0.700 175.801 175.328 -0.378 0.000 1.306 356 H CA 0.129 55.918 56.048 -0.431 0.000 1.118 356 H CB 1.379 30.988 29.762 -0.256 0.000 1.856 356 H HN 0.568 nan 8.280 nan 0.000 0.538 357 H N -0.308 118.804 119.070 0.070 0.000 2.389 357 H HA -0.100 4.443 4.556 -0.021 0.000 0.299 357 H C 1.032 176.402 175.328 0.070 0.000 1.081 357 H CA 1.763 57.897 56.048 0.143 0.000 1.345 357 H CB 0.113 30.016 29.762 0.235 0.000 1.393 357 H HN 0.562 nan 8.280 nan 0.000 0.520 358 D N 1.895 121.855 120.400 -0.733 0.000 2.144 358 D HA -0.097 4.531 4.640 -0.021 0.000 0.199 358 D C 1.077 177.220 176.300 -0.261 0.000 0.984 358 D CA 0.795 54.504 54.000 -0.485 0.000 0.834 358 D CB -0.591 39.876 40.800 -0.555 0.000 0.955 358 D HN 0.576 nan 8.370 nan 0.000 0.465 359 A N 1.157 123.806 122.820 -0.285 0.000 2.561 359 A HA -0.045 4.262 4.320 -0.021 0.000 0.234 359 A C 0.266 177.529 177.584 -0.534 0.000 1.055 359 A CA 0.045 51.827 52.037 -0.425 0.000 0.756 359 A CB -0.595 18.055 19.000 -0.583 0.000 0.986 359 A HN 0.403 nan 8.150 nan 0.000 0.505 360 N N 1.159 119.570 118.700 -0.482 0.000 2.431 360 N HA 0.229 4.957 4.740 -0.021 0.000 0.265 360 N C -0.470 174.708 175.510 -0.553 0.000 1.184 360 N CA -0.029 52.800 53.050 -0.368 0.000 0.943 360 N CB 0.090 38.442 38.487 -0.226 0.000 1.080 360 N HN 0.592 nan 8.380 nan 0.000 0.477 361 Y N 1.122 121.272 120.300 -0.249 0.000 2.584 361 Y HA 0.214 4.752 4.550 -0.020 0.000 0.254 361 Y C -0.087 175.533 175.900 -0.468 0.000 1.177 361 Y CA -0.617 57.232 58.100 -0.418 0.000 1.216 361 Y CB 0.224 38.305 38.460 -0.632 0.000 1.172 361 Y HN 0.498 nan 8.280 nan 0.000 0.529 362 D N 0.796 121.043 120.400 -0.255 0.000 2.472 362 D HA 0.148 4.776 4.640 -0.021 0.000 0.248 362 D C 1.351 177.384 176.300 -0.445 0.000 1.174 362 D CA 1.790 55.508 54.000 -0.470 0.000 0.883 362 D CB 1.078 41.519 40.800 -0.598 0.000 1.149 362 D HN 0.613 nan 8.370 nan 0.000 0.488 363 G N 3.107 111.650 108.800 -0.428 0.000 2.253 363 G HA2 -0.304 3.644 3.960 -0.021 0.000 0.251 363 G HA3 -0.304 3.644 3.960 -0.021 0.000 0.251 363 G C 0.344 175.212 174.900 -0.053 0.000 0.998 363 G CA -0.039 44.932 45.100 -0.216 0.000 0.621 363 G HN 0.526 nan 8.290 nan 0.000 0.524 364 Q N 0.129 119.917 119.800 -0.021 0.000 2.235 364 Q HA 0.558 4.886 4.340 -0.021 0.000 0.250 364 Q C 0.740 176.797 176.000 0.096 0.000 0.909 364 Q CA 0.523 56.350 55.803 0.040 0.000 0.910 364 Q CB 1.582 30.350 28.738 0.051 0.000 1.223 364 Q HN 1.757 nan 8.270 nan 0.000 0.432 365 G N -0.220 108.638 108.800 0.096 0.000 2.787 365 G HA2 -0.180 3.768 3.960 -0.021 0.000 0.685 365 G HA3 -0.180 3.768 3.960 -0.021 0.000 0.685 365 G C -0.677 174.289 174.900 0.111 0.000 1.437 365 G CA -0.647 44.526 45.100 0.123 0.000 0.872 365 G HN 0.600 nan 8.290 nan 0.000 0.566 366 V N 0.433 120.445 119.914 0.163 0.000 2.427 366 V HA 0.357 4.464 4.120 -0.021 0.000 0.268 366 V C 0.647 176.773 176.094 0.054 0.000 1.046 366 V CA -0.002 62.362 62.300 0.108 0.000 0.970 366 V CB 1.573 33.459 31.823 0.105 0.000 1.001 366 V HN 0.774 nan 8.190 nan 0.000 0.476 367 D N 4.479 124.871 120.400 -0.012 0.000 2.508 367 D HA 0.127 4.754 4.640 -0.021 0.000 0.224 367 D C 1.260 177.533 176.300 -0.045 0.000 1.171 367 D CA 0.093 54.050 54.000 -0.072 0.000 1.006 367 D CB 0.763 41.507 40.800 -0.094 0.000 1.073 367 D HN 0.682 nan 8.370 nan 0.000 0.513 368 Q N 2.502 122.290 119.800 -0.020 0.000 2.002 368 Q HA -0.181 4.147 4.340 -0.021 0.000 0.204 368 Q C 1.888 177.837 176.000 -0.085 0.000 0.988 368 Q CA 0.880 56.672 55.803 -0.018 0.000 0.843 368 Q CB 0.105 28.877 28.738 0.057 0.000 0.908 368 Q HN 0.510 nan 8.270 nan 0.000 0.420 369 I N 1.543 122.003 120.570 -0.185 0.000 2.113 369 I HA -0.328 3.829 4.170 -0.021 0.000 0.242 369 I C 2.449 178.473 176.117 -0.154 0.000 1.064 369 I CA 1.845 62.990 61.300 -0.259 0.000 1.320 369 I CB -1.215 36.617 38.000 -0.280 0.000 1.028 369 I HN 0.239 nan 8.210 nan 0.000 0.406 370 K N 1.590 121.931 120.400 -0.097 0.000 2.001 370 K HA -0.190 4.118 4.320 -0.021 0.000 0.214 370 K C 2.156 178.723 176.600 -0.054 0.000 1.050 370 K CA 2.285 58.539 56.287 -0.056 0.000 0.934 370 K CB -0.536 31.950 32.500 -0.023 0.000 0.718 370 K HN 0.261 nan 8.250 nan 0.000 0.443 371 A N 0.983 123.776 122.820 -0.044 0.000 1.940 371 A HA -0.129 4.179 4.320 -0.021 0.000 0.219 371 A C 2.160 179.718 177.584 -0.043 0.000 1.176 371 A CA 1.723 53.741 52.037 -0.031 0.000 0.631 371 A CB -0.685 18.304 19.000 -0.018 0.000 0.814 371 A HN 0.397 nan 8.150 nan 0.000 0.446 372 I N -0.253 120.279 120.570 -0.063 0.000 2.113 372 I HA -0.201 3.957 4.170 -0.021 0.000 0.238 372 I C 2.464 178.500 176.117 -0.134 0.000 1.070 372 I CA 1.384 62.632 61.300 -0.087 0.000 1.332 372 I CB -1.438 36.488 38.000 -0.123 0.000 1.044 372 I HN 0.149 nan 8.210 nan 0.000 0.402 373 V N 0.995 120.814 119.914 -0.159 0.000 2.317 373 V HA -0.275 3.832 4.120 -0.021 0.000 0.251 373 V C 2.658 178.696 176.094 -0.095 0.000 1.065 373 V CA 1.825 64.038 62.300 -0.145 0.000 1.049 373 V CB -0.702 31.050 31.823 -0.117 0.000 0.651 373 V HN 0.384 nan 8.190 nan 0.000 0.450 374 E N 0.318 120.477 120.200 -0.068 0.000 2.031 374 E HA -0.168 4.169 4.350 -0.021 0.000 0.193 374 E C 2.395 178.969 176.600 -0.044 0.000 0.994 374 E CA 2.084 58.457 56.400 -0.045 0.000 0.800 374 E CB -0.780 28.903 29.700 -0.028 0.000 0.752 374 E HN 0.701 nan 8.360 nan 0.000 0.447 375 T N 1.904 116.432 114.554 -0.044 0.000 2.737 375 T HA -0.090 4.247 4.350 -0.021 0.000 0.265 375 T C 2.248 176.923 174.700 -0.043 0.000 1.038 375 T CA 0.901 62.981 62.100 -0.034 0.000 1.144 375 T CB -0.427 68.429 68.868 -0.021 0.000 0.866 375 T HN 0.048 nan 8.240 nan 0.000 0.434 376 L N 0.696 121.881 121.223 -0.063 0.000 2.010 376 L HA -0.253 4.074 4.340 -0.021 0.000 0.219 376 L C 2.739 179.573 176.870 -0.059 0.000 1.077 376 L CA 1.744 56.541 54.840 -0.071 0.000 0.773 376 L CB -0.509 41.480 42.059 -0.115 0.000 0.892 376 L HN 0.250 nan 8.230 nan 0.000 0.436 377 K N -0.949 119.415 120.400 -0.059 0.000 2.057 377 K HA -0.160 4.148 4.320 -0.021 0.000 0.207 377 K C 2.095 178.671 176.600 -0.039 0.000 1.049 377 K CA 1.983 58.241 56.287 -0.049 0.000 0.931 377 K CB -0.319 32.152 32.500 -0.048 0.000 0.714 377 K HN 0.551 nan 8.250 nan 0.000 0.440 378 T N -2.035 112.498 114.554 -0.035 0.000 2.976 378 T HA -0.003 4.334 4.350 -0.021 0.000 0.257 378 T C 0.926 175.610 174.700 -0.027 0.000 1.051 378 T CA 0.380 62.463 62.100 -0.028 0.000 1.141 378 T CB 0.156 69.011 68.868 -0.023 0.000 0.881 378 T HN -0.051 nan 8.240 nan 0.000 0.461 379 N N 1.343 120.026 118.700 -0.029 0.000 2.722 379 N HA 0.295 5.022 4.740 -0.021 0.000 0.242 379 N C -2.740 172.750 175.510 -0.034 0.000 1.398 379 N CA -1.280 51.753 53.050 -0.028 0.000 0.755 379 N CB 1.873 40.348 38.487 -0.019 0.000 1.268 379 N HN 0.032 nan 8.380 nan 0.000 0.522 380 P HA 0.008 nan 4.420 nan 0.000 0.222 380 P C 0.343 177.594 177.300 -0.082 0.000 1.147 380 P CA 0.964 64.025 63.100 -0.064 0.000 0.790 380 P CB 0.443 32.098 31.700 -0.075 0.000 0.780 381 D N -1.155 119.205 120.400 -0.066 0.000 2.340 381 D HA -0.018 4.610 4.640 -0.021 0.000 0.220 381 D C 0.105 176.387 176.300 -0.030 0.000 1.039 381 D CA 0.365 54.325 54.000 -0.067 0.000 0.866 381 D CB -0.703 40.067 40.800 -0.050 0.000 0.913 381 D HN 0.201 nan 8.370 nan 0.000 0.523 382 D N 0.111 120.502 120.400 -0.015 0.000 2.383 382 D HA 0.033 4.660 4.640 -0.021 0.000 0.252 382 D C 0.641 176.961 176.300 0.033 0.000 1.166 382 D CA -0.046 53.959 54.000 0.008 0.000 0.879 382 D CB 0.591 41.396 40.800 0.008 0.000 1.164 382 D HN -0.138 nan 8.370 nan 0.000 0.462 383 R N 3.184 123.707 120.500 0.038 0.000 2.547 383 R HA 0.190 4.518 4.340 -0.021 0.000 0.258 383 R C 0.653 176.982 176.300 0.048 0.000 1.115 383 R CA 0.153 56.288 56.100 0.058 0.000 1.152 383 R CB 0.316 30.646 30.300 0.050 0.000 1.221 383 R HN 0.357 nan 8.270 nan 0.000 0.539 384 R N -0.326 120.202 120.500 0.046 0.000 2.549 384 R HA 0.244 4.572 4.340 -0.021 0.000 0.344 384 R C 0.037 176.371 176.300 0.056 0.000 0.979 384 R CA -0.151 55.971 56.100 0.036 0.000 1.140 384 R CB 0.621 30.933 30.300 0.020 0.000 1.377 384 R HN 0.070 nan 8.270 nan 0.000 0.541 385 M N 2.781 122.435 119.600 0.091 0.000 3.442 385 M HA 0.170 4.637 4.480 -0.021 0.000 0.232 385 M C -0.831 175.601 176.300 0.220 0.000 1.508 385 M CA 0.222 55.606 55.300 0.141 0.000 1.647 385 M CB -0.340 32.355 32.600 0.158 0.000 1.126 385 M HN 0.025 nan 8.290 nan 0.000 0.557 386 L N -0.113 121.201 121.223 0.152 0.000 2.455 386 L HA 0.866 5.194 4.340 -0.021 0.000 0.264 386 L C -0.934 176.010 176.870 0.123 0.000 0.968 386 L CA -1.011 53.904 54.840 0.124 0.000 0.827 386 L CB 1.202 43.254 42.059 -0.012 0.000 1.317 386 L HN 0.291 nan 8.230 nan 0.000 0.407 387 F N -0.393 119.557 119.950 0.001 0.000 2.470 387 F HA 0.942 5.457 4.527 -0.020 0.000 0.329 387 F C 0.006 175.798 175.800 -0.013 0.000 1.072 387 F CA -0.660 57.309 58.000 -0.053 0.000 0.989 387 F CB 1.747 40.666 39.000 -0.135 0.000 1.193 387 F HN 0.741 nan 8.300 nan 0.000 0.481 388 T N 0.648 115.266 114.554 0.107 0.000 2.907 388 T HA 0.687 5.025 4.350 -0.021 0.000 0.292 388 T C -0.023 174.961 174.700 0.474 0.000 1.043 388 T CA -0.112 62.087 62.100 0.165 0.000 1.003 388 T CB 1.578 70.537 68.868 0.152 0.000 1.084 388 T HN 1.061 nan 8.240 nan 0.000 0.483 389 A N 2.657 125.778 122.820 0.502 0.000 2.469 389 A HA 0.279 4.586 4.320 -0.021 0.000 0.245 389 A C 0.529 178.319 177.584 0.344 0.000 1.221 389 A CA -0.526 51.812 52.037 0.503 0.000 0.946 389 A CB 0.121 19.420 19.000 0.498 0.000 1.049 389 A HN 0.808 nan 8.150 nan 0.000 0.529 390 W N 2.544 123.968 121.300 0.208 0.000 2.290 390 W HA 0.306 4.955 4.660 -0.018 0.000 0.408 390 W C -0.747 175.888 176.519 0.193 0.000 0.966 390 W CA -0.425 57.004 57.345 0.140 0.000 1.579 390 W CB 0.161 29.685 29.460 0.107 0.000 1.662 390 W HN 0.289 nan 8.180 nan 0.000 0.341 391 N N 6.612 125.234 118.700 -0.131 0.000 2.621 391 N HA 0.230 4.957 4.740 -0.021 0.000 0.237 391 N C -1.825 173.489 175.510 -0.328 0.000 0.997 391 N CA -2.243 50.725 53.050 -0.135 0.000 0.918 391 N CB 1.569 39.839 38.487 -0.363 0.000 1.122 391 N HN 0.023 nan 8.380 nan 0.000 0.510 392 P HA -0.133 nan 4.420 nan 0.000 0.216 392 P C 0.932 178.133 177.300 -0.166 0.000 1.154 392 P CA 1.362 64.335 63.100 -0.212 0.000 0.865 392 P CB 0.373 32.064 31.700 -0.015 0.000 0.789 393 S N -1.095 114.533 115.700 -0.119 0.000 2.402 393 S HA -0.049 4.409 4.470 -0.021 0.000 0.229 393 S C 1.965 176.480 174.600 -0.143 0.000 1.021 393 S CA 1.259 59.398 58.200 -0.102 0.000 0.974 393 S CB -0.713 62.448 63.200 -0.064 0.000 0.800 393 S HN 0.175 nan 8.310 nan 0.000 0.484 394 A N 0.791 123.487 122.820 -0.207 0.000 2.030 394 A HA 0.239 4.546 4.320 -0.021 0.000 0.215 394 A C 1.867 179.306 177.584 -0.242 0.000 1.164 394 A CA 0.292 52.199 52.037 -0.218 0.000 0.697 394 A CB -0.454 18.393 19.000 -0.254 0.000 0.827 394 A HN 0.330 nan 8.150 nan 0.000 0.457 395 L N 0.366 121.407 121.223 -0.303 0.000 2.054 395 L HA -0.186 4.141 4.340 -0.021 0.000 0.220 395 L C -0.576 176.157 176.870 -0.229 0.000 1.081 395 L CA 2.713 57.354 54.840 -0.331 0.000 0.780 395 L CB -1.341 40.443 42.059 -0.457 0.000 0.893 395 L HN 0.239 nan 8.230 nan 0.000 0.438 396 P HA -0.127 nan 4.420 nan 0.000 0.218 396 P C 1.270 178.471 177.300 -0.165 0.000 1.149 396 P CA 1.134 64.144 63.100 -0.151 0.000 0.817 396 P CB -0.051 31.578 31.700 -0.119 0.000 0.785 397 R N -1.308 119.093 120.500 -0.164 0.000 2.307 397 R HA 0.168 4.496 4.340 -0.021 0.000 0.199 397 R C 0.888 177.074 176.300 -0.190 0.000 1.000 397 R CA 0.436 56.441 56.100 -0.159 0.000 1.023 397 R CB -0.478 29.771 30.300 -0.085 0.000 0.908 397 R HN 0.366 nan 8.270 nan 0.000 0.473 398 M N -0.846 118.639 119.600 -0.192 0.000 2.314 398 M HA 0.242 4.710 4.480 -0.021 0.000 0.342 398 M C 1.206 177.452 176.300 -0.089 0.000 1.171 398 M CA -0.269 54.935 55.300 -0.160 0.000 1.098 398 M CB 1.615 34.106 32.600 -0.180 0.000 1.559 398 M HN -0.115 nan 8.290 nan 0.000 0.459 399 A N 2.710 125.534 122.820 0.006 0.000 2.168 399 A HA 0.256 4.563 4.320 -0.021 0.000 0.215 399 A C 0.379 178.133 177.584 0.284 0.000 1.152 399 A CA 0.958 53.084 52.037 0.148 0.000 0.716 399 A CB -0.027 19.128 19.000 0.259 0.000 0.794 399 A HN 0.681 nan 8.150 nan 0.000 0.465 400 L N -0.984 120.348 121.223 0.182 0.000 2.787 400 L HA 0.365 4.693 4.340 -0.021 0.000 0.260 400 L C -3.027 173.893 176.870 0.083 0.000 0.921 400 L CA -1.302 53.677 54.840 0.232 0.000 0.984 400 L CB 2.055 44.361 42.059 0.412 0.000 1.519 400 L HN -0.139 nan 8.230 nan 0.000 0.452 401 P HA 0.320 nan 4.420 nan 0.000 0.275 401 P C -2.613 174.715 177.300 0.048 0.000 1.227 401 P CA -1.087 62.005 63.100 -0.014 0.000 0.781 401 P CB -0.004 31.735 31.700 0.065 0.000 0.906 402 P HA 0.029 nan 4.420 nan 0.000 0.268 402 P C 0.099 177.553 177.300 0.257 0.000 1.204 402 P CA 0.027 62.985 63.100 -0.236 0.000 0.768 402 P CB 0.635 32.102 31.700 -0.388 0.000 0.842 403 C N 1.478 121.011 119.300 0.389 0.000 2.544 403 C HA -0.018 4.429 4.460 -0.021 0.000 0.280 403 C C 1.338 176.563 174.990 0.392 0.000 1.295 403 C CA 0.566 59.820 59.018 0.393 0.000 1.702 403 C CB -1.841 26.168 27.740 0.449 0.000 2.090 403 C HN 0.694 nan 8.230 nan 0.000 0.493 404 H N 1.558 120.925 119.070 0.495 0.000 2.969 404 H HA 0.441 4.985 4.556 -0.021 0.000 0.269 404 H C 0.453 176.072 175.328 0.485 0.000 1.223 404 H CA -0.470 55.798 56.048 0.367 0.000 1.400 404 H CB -0.067 29.897 29.762 0.337 0.000 1.500 404 H HN 0.385 nan 8.280 nan 0.000 0.486 405 L N 1.080 122.515 121.223 0.354 0.000 2.616 405 L HA 0.432 4.759 4.340 -0.021 0.000 0.229 405 L C -0.326 176.673 176.870 0.215 0.000 1.110 405 L CA 0.194 55.240 54.840 0.343 0.000 0.884 405 L CB 0.470 42.751 42.059 0.370 0.000 1.115 405 L HN 0.514 nan 8.230 nan 0.000 0.481 406 L N 0.885 122.156 121.223 0.080 0.000 2.513 406 L HA 0.844 5.171 4.340 -0.021 0.000 0.261 406 L C -1.585 175.074 176.870 -0.351 0.000 0.945 406 L CA -0.552 54.193 54.840 -0.158 0.000 0.848 406 L CB 2.312 44.313 42.059 -0.096 0.000 1.334 406 L HN 0.126 nan 8.230 nan 0.000 0.407 407 A N 3.470 125.885 122.820 -0.676 0.000 2.437 407 A HA 0.618 4.925 4.320 -0.021 0.000 0.293 407 A C -1.443 175.845 177.584 -0.494 0.000 1.038 407 A CA -0.431 51.233 52.037 -0.622 0.000 0.708 407 A CB 2.180 20.809 19.000 -0.618 0.000 1.251 407 A HN 0.659 nan 8.150 nan 0.000 0.409 408 Q N 1.915 121.492 119.800 -0.370 0.000 2.337 408 Q HA 0.701 5.028 4.340 -0.021 0.000 0.266 408 Q C -1.764 174.091 176.000 -0.243 0.000 1.023 408 Q CA -0.481 55.213 55.803 -0.181 0.000 0.829 408 Q CB 1.239 29.920 28.738 -0.095 0.000 1.306 408 Q HN 0.619 nan 8.270 nan 0.000 0.449 409 F N 2.384 122.390 119.950 0.094 0.000 2.440 409 F HA 0.529 5.044 4.527 -0.019 0.000 0.328 409 F C -0.572 175.336 175.800 0.180 0.000 1.070 409 F CA -0.501 57.576 58.000 0.129 0.000 1.011 409 F CB 1.269 40.335 39.000 0.111 0.000 1.226 409 F HN 0.520 nan 8.300 nan 0.000 0.491 410 Y N 0.713 121.147 120.300 0.222 0.000 2.519 410 Y HA 0.674 5.213 4.550 -0.018 0.000 0.336 410 Y C -2.066 173.901 175.900 0.113 0.000 1.089 410 Y CA -1.119 57.053 58.100 0.120 0.000 1.025 410 Y CB 1.504 40.003 38.460 0.064 0.000 1.318 410 Y HN 0.340 nan 8.280 nan 0.000 0.452 411 V N 5.080 124.755 119.914 -0.398 0.000 2.487 411 V HA 0.748 4.855 4.120 -0.021 0.000 0.298 411 V C -1.004 174.833 176.094 -0.428 0.000 1.028 411 V CA -0.290 61.860 62.300 -0.251 0.000 0.860 411 V CB 1.591 33.329 31.823 -0.141 0.000 0.991 411 V HN 0.835 nan 8.190 nan 0.000 0.427 412 S N 2.287 117.897 115.700 -0.150 0.000 2.546 412 S HA 0.566 5.023 4.470 -0.021 0.000 0.272 412 S C -0.394 174.208 174.600 0.004 0.000 1.140 412 S CA -0.847 57.308 58.200 -0.074 0.000 0.920 412 S CB 1.303 64.540 63.200 0.061 0.000 1.083 412 S HN 0.866 nan 8.310 nan 0.000 0.476 413 N N 1.348 120.046 118.700 -0.004 0.000 2.725 413 N HA -0.127 4.600 4.740 -0.021 0.000 0.251 413 N C 0.913 176.427 175.510 0.007 0.000 1.031 413 N CA 1.057 54.112 53.050 0.008 0.000 0.720 413 N CB -1.528 36.974 38.487 0.025 0.000 0.930 413 N HN 1.849 nan 8.380 nan 0.000 0.543 414 G N -1.019 107.776 108.800 -0.008 0.000 2.269 414 G HA2 -0.370 3.578 3.960 -0.021 0.000 0.277 414 G HA3 -0.370 3.578 3.960 -0.021 0.000 0.277 414 G C -0.249 174.659 174.900 0.012 0.000 1.008 414 G CA 1.056 46.153 45.100 -0.005 0.000 0.774 414 G HN 0.685 nan 8.290 nan 0.000 0.511 415 E N -0.965 119.251 120.200 0.026 0.000 2.195 415 E HA 0.589 4.927 4.350 -0.021 0.000 0.271 415 E C -0.501 176.145 176.600 0.077 0.000 0.923 415 E CA -1.172 55.261 56.400 0.055 0.000 0.790 415 E CB 2.223 31.966 29.700 0.071 0.000 1.155 415 E HN 0.144 nan 8.360 nan 0.000 0.402 416 L N 1.841 123.124 121.223 0.101 0.000 2.265 416 L HA 0.314 4.641 4.340 -0.021 0.000 0.288 416 L C -0.687 176.312 176.870 0.215 0.000 1.058 416 L CA 0.221 55.156 54.840 0.158 0.000 0.809 416 L CB 1.246 43.393 42.059 0.147 0.000 1.179 416 L HN 0.382 nan 8.230 nan 0.000 0.429 417 S N 3.292 119.155 115.700 0.271 0.000 2.718 417 S HA 0.699 5.156 4.470 -0.021 0.000 0.300 417 S C -1.248 173.477 174.600 0.209 0.000 1.117 417 S CA -0.600 57.738 58.200 0.230 0.000 1.002 417 S CB 1.593 64.920 63.200 0.213 0.000 1.092 417 S HN 0.828 nan 8.310 nan 0.000 0.542 418 C N 2.817 122.147 119.300 0.051 0.000 2.705 418 C HA 0.619 5.067 4.460 -0.021 0.000 0.369 418 C C -0.632 174.251 174.990 -0.179 0.000 1.069 418 C CA -0.633 58.267 59.018 -0.196 0.000 1.260 418 C CB -0.044 27.522 27.740 -0.290 0.000 1.764 418 C HN 0.972 nan 8.230 nan 0.000 0.469 419 M N 6.117 125.583 119.600 -0.224 0.000 2.216 419 M HA 0.692 5.160 4.480 -0.021 0.000 0.356 419 M C -0.836 175.306 176.300 -0.264 0.000 1.205 419 M CA -0.073 55.116 55.300 -0.184 0.000 1.122 419 M CB 1.058 33.573 32.600 -0.141 0.000 1.571 419 M HN 0.757 nan 8.290 nan 0.000 0.464 420 L N 6.072 127.131 121.223 -0.275 0.000 2.362 420 L HA 0.565 4.893 4.340 -0.021 0.000 0.275 420 L C -2.231 174.487 176.870 -0.253 0.000 0.998 420 L CA -0.409 54.173 54.840 -0.428 0.000 0.820 420 L CB 1.559 43.118 42.059 -0.834 0.000 1.270 420 L HN 0.740 nan 8.230 nan 0.000 0.415 421 Y N 3.776 123.907 120.300 -0.283 0.000 2.341 421 Y HA 0.593 5.130 4.550 -0.021 0.000 0.337 421 Y C -0.651 175.201 175.900 -0.080 0.000 1.014 421 Y CA -0.072 57.937 58.100 -0.151 0.000 1.111 421 Y CB 1.259 39.639 38.460 -0.133 0.000 1.194 421 Y HN 0.800 nan 8.280 nan 0.000 0.462 422 Q N 6.421 125.894 119.800 -0.545 0.000 2.285 422 Q HA 0.300 4.628 4.340 -0.021 0.000 0.269 422 Q C 0.055 175.858 176.000 -0.328 0.000 1.030 422 Q CA -0.796 54.884 55.803 -0.204 0.000 0.788 422 Q CB 1.425 30.165 28.738 0.003 0.000 1.266 422 Q HN 0.996 nan 8.270 nan 0.000 0.438 423 R N 1.084 121.550 120.500 -0.058 0.000 2.127 423 R HA 0.182 4.510 4.340 -0.021 0.000 0.217 423 R C 0.418 176.774 176.300 0.093 0.000 1.074 423 R CA 0.467 56.577 56.100 0.017 0.000 0.991 423 R CB 0.352 30.703 30.300 0.085 0.000 0.895 423 R HN 0.260 nan 8.270 nan 0.000 0.450 424 S N 0.006 115.795 115.700 0.149 0.000 2.677 424 S HA 0.490 4.947 4.470 -0.021 0.000 0.283 424 S C -1.482 173.258 174.600 0.232 0.000 1.159 424 S CA -0.814 57.531 58.200 0.242 0.000 1.001 424 S CB 1.551 64.913 63.200 0.270 0.000 1.032 424 S HN 0.343 nan 8.310 nan 0.000 0.487 425 C N 3.888 123.262 119.300 0.124 0.000 2.442 425 C HA 0.498 4.946 4.460 -0.021 0.000 0.335 425 C C -0.493 174.173 174.990 -0.540 0.000 1.134 425 C CA -1.043 57.934 59.018 -0.068 0.000 1.344 425 C CB 0.134 27.855 27.740 -0.032 0.000 1.956 425 C HN 0.954 nan 8.230 nan 0.000 0.438 426 D N 3.324 123.537 120.400 -0.313 0.000 2.313 426 D HA 0.302 4.929 4.640 -0.021 0.000 0.239 426 D C 1.212 177.500 176.300 -0.020 0.000 1.142 426 D CA -0.369 53.471 54.000 -0.268 0.000 0.847 426 D CB 0.754 41.665 40.800 0.184 0.000 1.082 426 D HN 0.361 nan 8.370 nan 0.000 0.480 427 M N 3.024 122.605 119.600 -0.032 0.000 2.296 427 M HA 0.075 4.542 4.480 -0.021 0.000 0.265 427 M C 2.098 178.520 176.300 0.204 0.000 1.064 427 M CA 0.793 56.152 55.300 0.099 0.000 1.109 427 M CB -1.245 31.334 32.600 -0.035 0.000 1.396 427 M HN 0.609 nan 8.290 nan 0.000 0.430 428 G N 1.382 110.316 108.800 0.224 0.000 2.513 428 G HA2 -0.155 3.792 3.960 -0.021 0.000 0.219 428 G HA3 -0.155 3.792 3.960 -0.021 0.000 0.219 428 G C 1.444 176.411 174.900 0.112 0.000 1.160 428 G CA 1.880 47.075 45.100 0.158 0.000 0.767 428 G HN 0.567 nan 8.290 nan 0.000 0.571 429 L N -4.328 116.996 121.223 0.168 0.000 2.481 429 L HA 0.471 4.799 4.340 -0.021 0.000 0.253 429 L C 2.445 179.411 176.870 0.159 0.000 1.071 429 L CA 0.684 55.608 54.840 0.140 0.000 1.189 429 L CB -0.609 41.501 42.059 0.086 0.000 2.356 429 L HN 0.072 nan 8.230 nan 0.000 0.545 430 G N 1.896 110.772 108.800 0.126 0.000 2.732 430 G HA2 -0.299 3.648 3.960 -0.021 0.000 0.222 430 G HA3 -0.299 3.648 3.960 -0.021 0.000 0.222 430 G C 1.306 176.334 174.900 0.213 0.000 1.203 430 G CA 2.645 47.824 45.100 0.131 0.000 0.780 430 G HN 0.175 nan 8.290 nan 0.000 0.621 431 V N 2.908 122.945 119.914 0.205 0.000 2.223 431 V HA -0.122 3.986 4.120 -0.021 0.000 0.244 431 V C 0.585 176.807 176.094 0.213 0.000 1.045 431 V CA 2.493 64.938 62.300 0.242 0.000 1.000 431 V CB -1.295 30.661 31.823 0.222 0.000 0.635 431 V HN 0.366 nan 8.190 nan 0.000 0.445 432 P HA -0.235 nan 4.420 nan 0.000 0.216 432 P C 1.761 179.089 177.300 0.047 0.000 1.150 432 P CA 1.792 64.878 63.100 -0.024 0.000 0.843 432 P CB -0.208 31.448 31.700 -0.073 0.000 0.787 433 F N 1.565 121.517 119.950 0.003 0.000 2.069 433 F HA -0.208 4.306 4.527 -0.022 0.000 0.298 433 F C 1.966 177.761 175.800 -0.008 0.000 1.113 433 F CA 2.000 59.998 58.000 -0.002 0.000 1.214 433 F CB -1.096 37.914 39.000 0.017 0.000 0.978 433 F HN -0.124 nan 8.300 nan 0.000 0.474 434 N N 0.116 119.005 118.700 0.315 0.000 2.244 434 N HA -0.130 4.597 4.740 -0.021 0.000 0.183 434 N C 1.883 177.470 175.510 0.128 0.000 1.016 434 N CA 1.312 54.494 53.050 0.220 0.000 0.866 434 N CB -0.134 38.469 38.487 0.193 0.000 0.980 434 N HN 0.299 nan 8.380 nan 0.000 0.430 435 I N 1.098 121.715 120.570 0.078 0.000 2.142 435 I HA -0.280 3.878 4.170 -0.021 0.000 0.240 435 I C 2.508 178.557 176.117 -0.114 0.000 1.078 435 I CA 0.993 62.277 61.300 -0.027 0.000 1.343 435 I CB -0.439 37.437 38.000 -0.208 0.000 1.046 435 I HN 0.153 nan 8.210 nan 0.000 0.405 436 A N 0.013 122.726 122.820 -0.178 0.000 1.892 436 A HA -0.256 4.052 4.320 -0.021 0.000 0.218 436 A C 2.494 179.998 177.584 -0.134 0.000 1.188 436 A CA 2.427 54.364 52.037 -0.168 0.000 0.631 436 A CB -0.954 17.924 19.000 -0.202 0.000 0.822 436 A HN 0.383 nan 8.150 nan 0.000 0.447 437 S N -1.733 113.860 115.700 -0.179 0.000 2.365 437 S HA -0.190 4.267 4.470 -0.021 0.000 0.225 437 S C 1.859 176.414 174.600 -0.076 0.000 1.039 437 S CA 1.899 60.011 58.200 -0.147 0.000 1.033 437 S CB -0.495 62.681 63.200 -0.039 0.000 0.887 437 S HN 0.672 nan 8.310 nan 0.000 0.447 438 Y N 1.168 121.459 120.300 -0.014 0.000 2.286 438 Y HA 0.128 4.667 4.550 -0.020 0.000 0.293 438 Y C 2.507 178.435 175.900 0.047 0.000 1.124 438 Y CA 0.369 58.494 58.100 0.042 0.000 1.178 438 Y CB -0.825 37.629 38.460 -0.010 0.000 1.010 438 Y HN 0.250 nan 8.280 nan 0.000 0.536 439 A N 0.300 123.190 122.820 0.118 0.000 1.903 439 A HA -0.247 4.060 4.320 -0.021 0.000 0.219 439 A C 2.298 179.934 177.584 0.086 0.000 1.191 439 A CA 1.948 54.025 52.037 0.066 0.000 0.638 439 A CB -1.136 17.841 19.000 -0.039 0.000 0.823 439 A HN 0.526 nan 8.150 nan 0.000 0.451 440 L N -1.309 119.957 121.223 0.072 0.000 2.027 440 L HA -0.144 4.183 4.340 -0.021 0.000 0.206 440 L C 2.550 179.473 176.870 0.087 0.000 1.074 440 L CA 1.788 56.685 54.840 0.095 0.000 0.745 440 L CB -0.325 41.749 42.059 0.025 0.000 0.898 440 L HN 0.513 nan 8.230 nan 0.000 0.433 441 L N -0.308 120.951 121.223 0.060 0.000 1.989 441 L HA -0.252 4.076 4.340 -0.021 0.000 0.211 441 L C 2.392 179.356 176.870 0.156 0.000 1.071 441 L CA 2.542 57.435 54.840 0.087 0.000 0.749 441 L CB -0.869 41.212 42.059 0.037 0.000 0.890 441 L HN 0.233 nan 8.230 nan 0.000 0.431 442 T N 0.391 115.082 114.554 0.228 0.000 2.597 442 T HA -0.281 4.057 4.350 -0.021 0.000 0.267 442 T C 1.960 176.758 174.700 0.163 0.000 1.053 442 T CA 2.378 64.645 62.100 0.279 0.000 1.165 442 T CB -0.594 68.427 68.868 0.255 0.000 0.863 442 T HN 0.369 nan 8.240 nan 0.000 0.427 443 I N 0.793 121.444 120.570 0.136 0.000 2.145 443 I HA -0.222 3.936 4.170 -0.021 0.000 0.244 443 I C 2.455 178.607 176.117 0.059 0.000 1.075 443 I CA 1.508 62.881 61.300 0.120 0.000 1.332 443 I CB -0.598 37.505 38.000 0.173 0.000 1.033 443 I HN 0.212 nan 8.210 nan 0.000 0.410 444 L N 0.179 121.425 121.223 0.039 0.000 1.970 444 L HA -0.252 4.076 4.340 -0.021 0.000 0.212 444 L C 2.577 179.394 176.870 -0.088 0.000 1.071 444 L CA 1.269 56.061 54.840 -0.081 0.000 0.751 444 L CB -0.591 41.425 42.059 -0.070 0.000 0.889 444 L HN 0.208 nan 8.230 nan 0.000 0.432 445 I N 0.265 120.806 120.570 -0.047 0.000 2.264 445 I HA -0.299 3.859 4.170 -0.021 0.000 0.248 445 I C 2.842 178.895 176.117 -0.107 0.000 1.111 445 I CA 1.634 62.864 61.300 -0.116 0.000 1.382 445 I CB -1.578 36.295 38.000 -0.212 0.000 1.060 445 I HN 0.238 nan 8.210 nan 0.000 0.418 446 A N 1.110 123.906 122.820 -0.040 0.000 1.851 446 A HA -0.252 4.055 4.320 -0.021 0.000 0.216 446 A C 2.366 179.915 177.584 -0.059 0.000 1.195 446 A CA 1.907 53.929 52.037 -0.025 0.000 0.622 446 A CB -0.664 18.353 19.000 0.028 0.000 0.831 446 A HN 0.365 nan 8.150 nan 0.000 0.444 447 K N -0.536 119.812 120.400 -0.087 0.000 2.152 447 K HA -0.090 4.217 4.320 -0.021 0.000 0.206 447 K C 2.053 178.586 176.600 -0.111 0.000 1.048 447 K CA 1.096 57.304 56.287 -0.132 0.000 0.933 447 K CB -0.277 32.068 32.500 -0.259 0.000 0.721 447 K HN 0.485 nan 8.250 nan 0.000 0.447 448 A N 0.815 123.573 122.820 -0.103 0.000 2.072 448 A HA -0.052 4.256 4.320 -0.021 0.000 0.216 448 A C 1.804 179.339 177.584 -0.081 0.000 1.156 448 A CA 1.347 53.336 52.037 -0.081 0.000 0.701 448 A CB -0.168 18.786 19.000 -0.076 0.000 0.816 448 A HN 0.374 nan 8.150 nan 0.000 0.458 449 T N -4.408 110.094 114.554 -0.087 0.000 3.085 449 T HA 0.437 4.775 4.350 -0.021 0.000 0.264 449 T C 0.995 175.658 174.700 -0.062 0.000 1.019 449 T CA 0.627 62.679 62.100 -0.081 0.000 0.910 449 T CB 0.044 68.852 68.868 -0.101 0.000 1.059 449 T HN 1.557 nan 8.240 nan 0.000 0.542 450 G N 1.656 110.422 108.800 -0.057 0.000 2.351 450 G HA2 -0.164 3.783 3.960 -0.021 0.000 0.297 450 G HA3 -0.164 3.783 3.960 -0.021 0.000 0.297 450 G C -0.379 174.501 174.900 -0.033 0.000 1.054 450 G CA 0.104 45.177 45.100 -0.044 0.000 1.123 450 G HN 0.660 nan 8.290 nan 0.000 0.512 451 L N -1.040 120.167 121.223 -0.028 0.000 2.393 451 L HA 0.639 4.967 4.340 -0.021 0.000 0.260 451 L C 0.774 177.648 176.870 0.007 0.000 1.002 451 L CA -1.386 53.449 54.840 -0.010 0.000 0.818 451 L CB 1.792 43.846 42.059 -0.008 0.000 1.369 451 L HN 0.234 nan 8.230 nan 0.000 0.412 452 R N 1.260 121.773 120.500 0.022 0.000 2.582 452 R HA 0.387 4.715 4.340 -0.021 0.000 0.271 452 R C -2.463 173.872 176.300 0.059 0.000 1.078 452 R CA -1.563 54.561 56.100 0.039 0.000 1.127 452 R CB 0.127 30.452 30.300 0.041 0.000 1.038 452 R HN 0.231 nan 8.270 nan 0.000 0.500 453 P HA 0.172 nan 4.420 nan 0.000 0.282 453 P C -0.366 176.993 177.300 0.097 0.000 1.249 453 P CA -0.290 62.868 63.100 0.096 0.000 0.806 453 P CB 1.553 33.315 31.700 0.104 0.000 0.984 454 G N 1.520 110.387 108.800 0.113 0.000 2.694 454 G HA2 0.232 4.180 3.960 -0.021 0.000 0.212 454 G HA3 0.232 4.180 3.960 -0.021 0.000 0.212 454 G C -0.679 174.284 174.900 0.106 0.000 2.030 454 G CA -0.009 45.155 45.100 0.107 0.000 0.731 454 G HN 0.479 nan 8.290 nan 0.000 0.795 455 E N -0.557 119.709 120.200 0.110 0.000 2.227 455 E HA 0.567 4.904 4.350 -0.021 0.000 0.268 455 E C -1.262 175.401 176.600 0.104 0.000 0.907 455 E CA -0.515 55.941 56.400 0.095 0.000 0.786 455 E CB 2.806 32.539 29.700 0.055 0.000 1.191 455 E HN 0.178 nan 8.360 nan 0.000 0.411 456 L N 3.652 124.955 121.223 0.133 0.000 2.272 456 L HA 0.446 4.773 4.340 -0.021 0.000 0.289 456 L C -1.286 175.654 176.870 0.117 0.000 1.032 456 L CA -0.853 54.071 54.840 0.140 0.000 0.810 456 L CB 0.917 43.106 42.059 0.218 0.000 1.205 456 L HN 0.335 nan 8.230 nan 0.000 0.422 457 V N 4.292 124.228 119.914 0.036 0.000 2.370 457 V HA 0.276 4.384 4.120 -0.021 0.000 0.279 457 V C -0.327 175.794 176.094 0.046 0.000 1.029 457 V CA -0.579 61.727 62.300 0.011 0.000 0.870 457 V CB 1.194 32.988 31.823 -0.050 0.000 0.984 457 V HN 0.698 nan 8.190 nan 0.000 0.451 458 H N 2.793 121.852 119.070 -0.019 0.000 2.551 458 H HA 0.510 5.054 4.556 -0.019 0.000 0.321 458 H C -0.544 174.742 175.328 -0.069 0.000 1.028 458 H CA -0.406 55.631 56.048 -0.019 0.000 1.215 458 H CB 1.085 30.913 29.762 0.111 0.000 1.414 458 H HN 0.692 nan 8.280 nan 0.000 0.480 459 T N 6.907 121.572 114.554 0.185 0.000 2.772 459 T HA 0.254 4.591 4.350 -0.021 0.000 0.288 459 T C -0.521 174.118 174.700 -0.101 0.000 0.994 459 T CA -0.671 61.437 62.100 0.013 0.000 0.951 459 T CB 0.424 69.294 68.868 0.003 0.000 0.933 459 T HN 0.322 nan 8.240 nan 0.000 0.447 460 L N 2.889 124.026 121.223 -0.143 0.000 2.289 460 L HA 0.582 4.910 4.340 -0.021 0.000 0.285 460 L C 1.364 178.076 176.870 -0.263 0.000 1.049 460 L CA -0.100 54.626 54.840 -0.191 0.000 0.804 460 L CB 1.097 43.060 42.059 -0.160 0.000 1.195 460 L HN 0.774 nan 8.230 nan 0.000 0.428 461 G N 1.223 109.864 108.800 -0.265 0.000 2.535 461 G HA2 -0.089 3.859 3.960 -0.021 0.000 0.210 461 G HA3 -0.089 3.859 3.960 -0.021 0.000 0.210 461 G C -0.057 174.946 174.900 0.172 0.000 1.593 461 G CA -0.019 45.023 45.100 -0.096 0.000 0.948 461 G HN 0.597 nan 8.290 nan 0.000 0.476 462 D N 1.630 122.199 120.400 0.282 0.000 2.336 462 D HA 0.458 5.086 4.640 -0.021 0.000 0.249 462 D C -0.152 176.272 176.300 0.206 0.000 1.213 462 D CA -0.233 53.941 54.000 0.290 0.000 0.870 462 D CB 0.904 41.834 40.800 0.217 0.000 1.076 462 D HN 0.262 nan 8.370 nan 0.000 0.483 463 A N 5.291 128.181 122.820 0.117 0.000 2.292 463 A HA 0.564 4.871 4.320 -0.021 0.000 0.319 463 A C -0.332 177.261 177.584 0.015 0.000 1.206 463 A CA -0.594 51.435 52.037 -0.013 0.000 0.835 463 A CB 0.710 19.671 19.000 -0.066 0.000 1.164 463 A HN 0.781 nan 8.150 nan 0.000 0.505 464 H N -0.471 118.561 119.070 -0.063 0.000 2.985 464 H HA 0.767 5.311 4.556 -0.020 0.000 0.360 464 H C -1.949 173.304 175.328 -0.125 0.000 1.221 464 H CA -1.078 54.890 56.048 -0.133 0.000 1.121 464 H CB 1.218 30.841 29.762 -0.232 0.000 1.854 464 H HN 0.373 nan 8.280 nan 0.000 0.551 465 V N 1.902 121.802 119.914 -0.023 0.000 2.656 465 V HA 0.192 4.300 4.120 -0.021 0.000 0.307 465 V C -0.863 175.188 176.094 -0.071 0.000 1.051 465 V CA -0.764 61.547 62.300 0.019 0.000 0.893 465 V CB 1.627 33.476 31.823 0.043 0.000 0.999 465 V HN 0.627 nan 8.190 nan 0.000 0.426 466 Y N 1.716 122.029 120.300 0.020 0.000 2.326 466 Y HA 0.117 4.655 4.550 -0.020 0.000 0.333 466 Y C 1.881 177.747 175.900 -0.056 0.000 1.240 466 Y CA 0.684 58.704 58.100 -0.133 0.000 1.365 466 Y CB 1.284 39.452 38.460 -0.487 0.000 1.289 466 Y HN 0.676 nan 8.280 nan 0.000 0.548 467 S N 1.361 117.134 115.700 0.123 0.000 2.370 467 S HA -0.229 4.229 4.470 -0.021 0.000 0.226 467 S C 1.889 176.545 174.600 0.094 0.000 1.033 467 S CA 1.639 59.888 58.200 0.081 0.000 1.011 467 S CB -0.400 62.843 63.200 0.072 0.000 0.852 467 S HN 0.860 nan 8.310 nan 0.000 0.457 468 N N 1.172 119.930 118.700 0.096 0.000 2.039 468 N HA -0.217 4.511 4.740 -0.021 0.000 0.193 468 N C 1.363 176.988 175.510 0.193 0.000 1.044 468 N CA 1.591 54.706 53.050 0.109 0.000 0.847 468 N CB -1.149 37.385 38.487 0.077 0.000 1.030 468 N HN 0.598 nan 8.380 nan 0.000 0.422 469 H N 0.476 119.611 119.070 0.107 0.000 2.496 469 H HA -0.070 4.473 4.556 -0.021 0.000 0.296 469 H C 2.099 177.464 175.328 0.061 0.000 1.107 469 H CA 0.751 56.856 56.048 0.094 0.000 1.263 469 H CB 0.206 30.055 29.762 0.146 0.000 1.369 469 H HN 0.073 nan 8.280 nan 0.000 0.541 470 V N 0.946 120.964 119.914 0.173 0.000 2.219 470 V HA -0.291 3.816 4.120 -0.021 0.000 0.248 470 V C 2.451 178.581 176.094 0.060 0.000 1.053 470 V CA 2.246 64.602 62.300 0.092 0.000 1.009 470 V CB -0.439 31.420 31.823 0.061 0.000 0.636 470 V HN 0.366 nan 8.190 nan 0.000 0.445 471 E N 0.254 120.487 120.200 0.055 0.000 2.051 471 E HA -0.130 4.207 4.350 -0.021 0.000 0.192 471 E C 0.059 176.675 176.600 0.028 0.000 0.991 471 E CA 1.765 58.185 56.400 0.035 0.000 0.799 471 E CB -1.565 28.154 29.700 0.032 0.000 0.748 471 E HN 0.440 nan 8.360 nan 0.000 0.449 472 P HA -0.203 nan 4.420 nan 0.000 0.217 472 P C 1.405 178.706 177.300 0.002 0.000 1.162 472 P CA 1.620 64.729 63.100 0.015 0.000 0.901 472 P CB -0.200 31.507 31.700 0.012 0.000 0.793 473 C N -1.777 117.530 119.300 0.012 0.000 2.411 473 C HA -0.105 4.342 4.460 -0.021 0.000 0.279 473 C C 2.493 177.480 174.990 -0.006 0.000 1.288 473 C CA 1.131 60.151 59.018 0.004 0.000 1.764 473 C CB -2.128 25.622 27.740 0.017 0.000 1.974 473 C HN 0.286 nan 8.230 nan 0.000 0.498 474 N N 0.831 119.530 118.700 -0.002 0.000 2.223 474 N HA -0.101 4.626 4.740 -0.021 0.000 0.185 474 N C 1.708 177.208 175.510 -0.017 0.000 1.016 474 N CA 1.053 54.097 53.050 -0.010 0.000 0.863 474 N CB -0.344 38.141 38.487 -0.003 0.000 0.983 474 N HN 0.508 nan 8.380 nan 0.000 0.429 475 E N 0.657 120.848 120.200 -0.015 0.000 2.077 475 E HA -0.190 4.147 4.350 -0.021 0.000 0.193 475 E C 1.879 178.452 176.600 -0.045 0.000 0.989 475 E CA 0.726 57.111 56.400 -0.024 0.000 0.800 475 E CB -0.385 29.305 29.700 -0.016 0.000 0.746 475 E HN 0.515 nan 8.360 nan 0.000 0.452 476 Q N 0.400 120.176 119.800 -0.040 0.000 2.061 476 Q HA -0.105 4.223 4.340 -0.021 0.000 0.204 476 Q C 2.301 178.263 176.000 -0.063 0.000 0.984 476 Q CA 1.037 56.807 55.803 -0.055 0.000 0.846 476 Q CB -0.132 28.601 28.738 -0.008 0.000 0.902 476 Q HN 0.229 nan 8.270 nan 0.000 0.421 477 L N 0.395 121.594 121.223 -0.040 0.000 2.349 477 L HA -0.193 4.135 4.340 -0.021 0.000 0.220 477 L C 2.125 178.966 176.870 -0.049 0.000 1.130 477 L CA 0.995 55.812 54.840 -0.039 0.000 0.791 477 L CB -0.218 41.821 42.059 -0.034 0.000 0.918 477 L HN 0.178 nan 8.230 nan 0.000 0.444 478 K N -0.170 120.195 120.400 -0.059 0.000 2.228 478 K HA -0.011 4.296 4.320 -0.021 0.000 0.202 478 K C 0.741 177.292 176.600 -0.082 0.000 1.051 478 K CA 0.336 56.590 56.287 -0.056 0.000 0.960 478 K CB 0.108 32.582 32.500 -0.044 0.000 0.743 478 K HN 0.294 nan 8.250 nan 0.000 0.458 479 R N 1.039 121.449 120.500 -0.150 0.000 2.679 479 R HA 0.151 4.478 4.340 -0.021 0.000 0.269 479 R C -0.275 175.935 176.300 -0.149 0.000 1.076 479 R CA -0.389 55.562 56.100 -0.250 0.000 1.160 479 R CB 0.813 30.759 30.300 -0.590 0.000 1.054 479 R HN -0.150 nan 8.270 nan 0.000 0.507 480 V N 2.322 122.183 119.914 -0.088 0.000 2.481 480 V HA 0.298 4.406 4.120 -0.021 0.000 0.286 480 V C -1.971 174.135 176.094 0.020 0.000 1.042 480 V CA -2.244 60.049 62.300 -0.011 0.000 0.928 480 V CB 1.203 33.049 31.823 0.039 0.000 0.986 480 V HN 0.734 nan 8.190 nan 0.000 0.462 481 P HA 0.340 nan 4.420 nan 0.000 0.276 481 P C -0.319 176.964 177.300 -0.029 0.000 1.243 481 P CA -0.285 62.811 63.100 -0.007 0.000 0.768 481 P CB 0.969 32.632 31.700 -0.061 0.000 0.856 482 R N 1.901 122.408 120.500 0.011 0.000 2.697 482 R HA 0.549 4.877 4.340 -0.021 0.000 0.262 482 R C 0.707 176.895 176.300 -0.187 0.000 1.255 482 R CA -0.470 55.597 56.100 -0.055 0.000 1.136 482 R CB 0.071 30.352 30.300 -0.032 0.000 1.169 482 R HN 0.519 nan 8.270 nan 0.000 0.594 483 A N 0.515 123.245 122.820 -0.150 0.000 2.332 483 A HA 0.347 4.654 4.320 -0.021 0.000 0.258 483 A C -0.745 176.764 177.584 -0.125 0.000 1.087 483 A CA -0.246 51.682 52.037 -0.182 0.000 0.802 483 A CB 0.097 19.050 19.000 -0.078 0.000 1.042 483 A HN 0.382 nan 8.150 nan 0.000 0.489 484 F N 1.487 121.402 119.950 -0.057 0.000 2.382 484 F HA 0.403 4.917 4.527 -0.022 0.000 0.331 484 F C -1.325 174.324 175.800 -0.253 0.000 1.121 484 F CA -1.952 55.975 58.000 -0.123 0.000 1.183 484 F CB 0.471 39.368 39.000 -0.172 0.000 1.207 484 F HN 0.376 nan 8.300 nan 0.000 0.555 485 P HA 0.189 nan 4.420 nan 0.000 0.289 485 P C -1.649 175.301 177.300 -0.584 0.000 1.299 485 P CA -0.131 62.874 63.100 -0.158 0.000 0.766 485 P CB 0.771 32.442 31.700 -0.049 0.000 1.226 486 Y N -1.515 118.725 120.300 -0.099 0.000 2.442 486 Y HA 0.414 4.952 4.550 -0.020 0.000 0.344 486 Y C 0.146 175.909 175.900 -0.228 0.000 0.976 486 Y CA -1.115 56.913 58.100 -0.120 0.000 1.040 486 Y CB 1.656 40.088 38.460 -0.046 0.000 1.228 486 Y HN 0.091 nan 8.280 nan 0.000 0.451 487 L N 3.975 125.125 121.223 -0.122 0.000 2.290 487 L HA 0.715 5.043 4.340 -0.021 0.000 0.284 487 L C -1.032 175.734 176.870 -0.174 0.000 1.078 487 L CA -0.279 54.403 54.840 -0.263 0.000 0.815 487 L CB 0.631 42.527 42.059 -0.272 0.000 1.162 487 L HN 0.471 nan 8.230 nan 0.000 0.435 488 V N 5.675 125.423 119.914 -0.276 0.000 2.760 488 V HA 0.412 4.519 4.120 -0.021 0.000 0.309 488 V C -0.748 175.190 176.094 -0.261 0.000 1.077 488 V CA -0.521 61.692 62.300 -0.146 0.000 0.910 488 V CB 1.840 33.642 31.823 -0.035 0.000 1.008 488 V HN 0.494 nan 8.190 nan 0.000 0.424 489 F N 3.669 123.647 119.950 0.046 0.000 2.411 489 F HA 0.484 4.998 4.527 -0.021 0.000 0.355 489 F C 1.368 177.209 175.800 0.069 0.000 1.117 489 F CA -0.314 57.729 58.000 0.072 0.000 1.139 489 F CB 1.323 40.378 39.000 0.091 0.000 1.120 489 F HN 0.399 nan 8.300 nan 0.000 0.493 490 R N 1.073 121.691 120.500 0.196 0.000 2.193 490 R HA 0.129 4.456 4.340 -0.021 0.000 0.213 490 R C 0.588 176.982 176.300 0.156 0.000 1.055 490 R CA 0.603 56.786 56.100 0.137 0.000 0.995 490 R CB 0.304 30.657 30.300 0.089 0.000 0.893 490 R HN 0.484 nan 8.270 nan 0.000 0.459 491 R N 0.218 120.855 120.500 0.229 0.000 2.692 491 R HA 0.163 4.490 4.340 -0.021 0.000 0.269 491 R C -1.422 175.022 176.300 0.240 0.000 1.030 491 R CA -0.504 55.702 56.100 0.177 0.000 0.882 491 R CB 1.603 31.979 30.300 0.126 0.000 1.250 491 R HN -0.097 nan 8.270 nan 0.000 0.465 492 E N 2.134 122.408 120.200 0.122 0.000 2.299 492 E HA 0.539 4.876 4.350 -0.021 0.000 0.260 492 E C -0.453 176.056 176.600 -0.152 0.000 0.944 492 E CA -1.026 55.427 56.400 0.089 0.000 0.815 492 E CB 1.892 31.627 29.700 0.057 0.000 1.252 492 E HN 0.390 nan 8.360 nan 0.000 0.418 493 R N 0.629 120.873 120.500 -0.427 0.000 2.888 493 R HA 0.284 4.612 4.340 -0.021 0.000 0.266 493 R C 0.715 176.871 176.300 -0.239 0.000 1.020 493 R CA -0.646 55.172 56.100 -0.471 0.000 0.963 493 R CB 0.790 30.544 30.300 -0.911 0.000 1.197 493 R HN 0.436 nan 8.270 nan 0.000 0.481 494 E N 0.319 120.440 120.200 -0.132 0.000 2.107 494 E HA 0.033 4.371 4.350 -0.021 0.000 0.191 494 E C -0.298 176.090 176.600 -0.354 0.000 0.982 494 E CA 1.286 57.586 56.400 -0.168 0.000 0.809 494 E CB 0.064 29.762 29.700 -0.004 0.000 0.756 494 E HN 0.250 nan 8.360 nan 0.000 0.459 495 F N -0.687 119.224 119.950 -0.066 0.000 2.551 495 F HA 0.225 4.739 4.527 -0.021 0.000 0.316 495 F C 0.665 176.499 175.800 0.057 0.000 1.089 495 F CA -1.082 56.920 58.000 0.002 0.000 0.915 495 F CB 1.429 40.434 39.000 0.009 0.000 1.186 495 F HN -0.196 nan 8.300 nan 0.000 0.456 496 L N 1.805 123.223 121.223 0.325 0.000 2.013 496 L HA -0.202 4.126 4.340 -0.021 0.000 0.212 496 L C 1.934 179.042 176.870 0.397 0.000 1.073 496 L CA 2.171 57.252 54.840 0.402 0.000 0.753 496 L CB -0.574 41.611 42.059 0.211 0.000 0.890 496 L HN 0.691 nan 8.230 nan 0.000 0.432 497 E N 0.017 120.379 120.200 0.269 0.000 2.187 497 E HA -0.224 4.114 4.350 -0.021 0.000 0.199 497 E C 1.505 178.210 176.600 0.175 0.000 1.004 497 E CA 1.529 58.046 56.400 0.196 0.000 0.813 497 E CB -0.340 29.439 29.700 0.131 0.000 0.736 497 E HN 0.608 nan 8.360 nan 0.000 0.468 498 D N -0.936 119.552 120.400 0.147 0.000 2.336 498 D HA -0.028 4.599 4.640 -0.021 0.000 0.229 498 D C -0.392 175.902 176.300 -0.011 0.000 1.061 498 D CA 0.165 54.194 54.000 0.048 0.000 0.875 498 D CB -0.199 40.611 40.800 0.018 0.000 0.904 498 D HN 0.215 nan 8.370 nan 0.000 0.525 499 Y N 1.301 121.667 120.300 0.110 0.000 2.397 499 Y HA 0.219 4.757 4.550 -0.020 0.000 0.335 499 Y C 1.015 176.978 175.900 0.106 0.000 1.213 499 Y CA 0.305 58.476 58.100 0.118 0.000 1.391 499 Y CB 0.702 39.246 38.460 0.140 0.000 1.293 499 Y HN -0.215 nan 8.280 nan 0.000 0.557 500 E N 0.426 120.791 120.200 0.274 0.000 2.393 500 E HA 0.116 4.454 4.350 -0.021 0.000 0.273 500 E C 0.391 177.090 176.600 0.165 0.000 0.918 500 E CA -0.763 55.739 56.400 0.170 0.000 0.773 500 E CB 1.635 31.401 29.700 0.110 0.000 1.275 500 E HN 0.582 nan 8.360 nan 0.000 0.451 501 E N 1.615 121.868 120.200 0.089 0.000 2.114 501 E HA -0.210 4.127 4.350 -0.021 0.000 0.199 501 E C 1.676 178.335 176.600 0.099 0.000 1.008 501 E CA 1.896 58.334 56.400 0.064 0.000 0.810 501 E CB -0.232 29.461 29.700 -0.012 0.000 0.739 501 E HN 0.809 nan 8.360 nan 0.000 0.456 502 G N 1.093 109.945 108.800 0.087 0.000 2.442 502 G HA2 -0.272 3.676 3.960 -0.021 0.000 0.219 502 G HA3 -0.272 3.676 3.960 -0.021 0.000 0.219 502 G C 1.217 176.180 174.900 0.105 0.000 1.141 502 G CA 1.013 46.163 45.100 0.083 0.000 0.763 502 G HN 0.269 nan 8.290 nan 0.000 0.554 503 D N 0.325 120.819 120.400 0.157 0.000 2.221 503 D HA -0.047 4.581 4.640 -0.021 0.000 0.204 503 D C 1.735 178.163 176.300 0.213 0.000 0.982 503 D CA 1.021 55.158 54.000 0.229 0.000 0.857 503 D CB -0.082 40.943 40.800 0.375 0.000 0.934 503 D HN 0.518 nan 8.370 nan 0.000 0.475 504 M N -1.139 118.522 119.600 0.103 0.000 2.761 504 M HA 0.613 5.081 4.480 -0.021 0.000 0.305 504 M C -0.879 175.377 176.300 -0.074 0.000 1.235 504 M CA -0.709 54.519 55.300 -0.120 0.000 0.850 504 M CB 3.386 35.731 32.600 -0.426 0.000 1.744 504 M HN -0.314 nan 8.290 nan 0.000 0.480 505 E N 1.152 121.250 120.200 -0.171 0.000 2.311 505 E HA 0.387 4.724 4.350 -0.021 0.000 0.281 505 E C -2.112 174.332 176.600 -0.261 0.000 0.905 505 E CA -0.657 55.655 56.400 -0.147 0.000 0.778 505 E CB 3.331 32.988 29.700 -0.072 0.000 1.240 505 E HN 0.696 nan 8.360 nan 0.000 0.410 506 V N 6.855 126.536 119.914 -0.388 0.000 2.353 506 V HA 0.374 4.481 4.120 -0.021 0.000 0.264 506 V C -0.320 175.620 176.094 -0.257 0.000 1.049 506 V CA -0.296 61.701 62.300 -0.506 0.000 0.896 506 V CB 0.103 31.301 31.823 -1.042 0.000 1.025 506 V HN 0.502 nan 8.190 nan 0.000 0.475 507 I N 3.774 124.267 120.570 -0.129 0.000 2.428 507 I HA 0.673 4.830 4.170 -0.021 0.000 0.296 507 I C 0.289 176.442 176.117 0.060 0.000 0.985 507 I CA -0.031 61.258 61.300 -0.017 0.000 1.260 507 I CB 1.175 39.181 38.000 0.010 0.000 1.389 507 I HN 0.597 nan 8.210 nan 0.000 0.484 508 D N 2.296 122.736 120.400 0.067 0.000 2.947 508 D HA -0.264 4.364 4.640 -0.021 0.000 0.224 508 D C -0.762 175.616 176.300 0.130 0.000 1.132 508 D CA 0.750 54.806 54.000 0.093 0.000 0.801 508 D CB -1.463 39.423 40.800 0.142 0.000 1.097 508 D HN 0.701 nan 8.370 nan 0.000 0.431 509 Y N 1.220 121.492 120.300 -0.047 0.000 2.531 509 Y HA 0.413 4.950 4.550 -0.022 0.000 0.347 509 Y C 0.244 176.128 175.900 -0.027 0.000 1.024 509 Y CA -0.713 57.358 58.100 -0.048 0.000 1.306 509 Y CB 0.478 38.886 38.460 -0.086 0.000 1.149 509 Y HN 0.127 nan 8.280 nan 0.000 0.527 510 A N 9.578 132.242 122.820 -0.260 0.000 3.165 510 A HA 0.433 4.740 4.320 -0.021 0.000 0.331 510 A C -2.420 174.931 177.584 -0.389 0.000 1.034 510 A CA -1.197 50.673 52.037 -0.278 0.000 0.906 510 A CB -0.493 18.423 19.000 -0.140 0.000 1.054 510 A HN 0.578 nan 8.150 nan 0.000 0.484 511 P HA 0.454 nan 4.420 nan 0.000 0.341 511 P C -0.843 176.307 177.300 -0.249 0.000 1.332 511 P CA -0.042 62.845 63.100 -0.354 0.000 0.769 511 P CB 0.422 31.852 31.700 -0.450 0.000 1.726 512 Y N -3.292 116.940 120.300 -0.114 0.000 2.570 512 Y HA 0.436 4.974 4.550 -0.021 0.000 0.345 512 Y C -1.904 173.972 175.900 -0.041 0.000 1.014 512 Y CA -2.632 55.434 58.100 -0.058 0.000 1.063 512 Y CB -0.604 37.838 38.460 -0.029 0.000 1.272 512 Y HN 0.183 nan 8.280 nan 0.000 0.477 513 P HA -0.141 nan 4.420 nan 0.000 0.267 513 P C -2.283 175.060 177.300 0.072 0.000 1.145 513 P CA -0.255 62.890 63.100 0.075 0.000 0.753 513 P CB -0.273 31.467 31.700 0.067 0.000 0.748 514 P HA 0.000 nan 4.420 nan 0.000 0.216 514 P CA 0.000 63.141 63.100 0.068 0.000 0.800 514 P CB 0.000 31.730 31.700 0.050 0.000 0.726