REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kjs_1_C DATA FIRST_RESID 2 DATA SEQUENCE SLFKIRMPET VAEGTRLALR AFSLVVAVDE RGGIGDGRSI PWNVPEDMKF DATA SEQUENCE FRDVTTKLRG KNVKPSPAKR NAVVMGRKTW DSIPPKFRPL PGRLNVVLSS DATA SEQUENCE TLTTQHLLDG LPDXXXXXXH 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 0.000 174.433 174.600 -0.279 0.000 1.055 2 S CA 0.000 58.055 58.200 -0.242 0.000 1.107 2 S CB 0.000 63.154 63.200 -0.076 0.000 0.593 3 L N -1.176 119.878 121.223 -0.282 0.000 2.610 3 L HA 0.532 4.873 4.340 0.001 0.000 0.232 3 L C 1.148 177.750 176.870 -0.447 0.000 1.149 3 L CA 0.905 55.528 54.840 -0.362 0.000 0.872 3 L CB -1.050 40.748 42.059 -0.435 0.000 0.992 3 L HN 0.557 nan 8.230 nan 0.000 0.447 4 F N -0.090 119.818 119.950 -0.070 0.000 2.746 4 F HA 0.305 4.833 4.527 0.001 0.000 0.297 4 F C 1.491 177.259 175.800 -0.054 0.000 1.113 4 F CA -0.307 57.669 58.000 -0.040 0.000 1.367 4 F CB -0.178 38.813 39.000 -0.014 0.000 1.111 4 F HN -0.041 nan 8.300 nan 0.000 0.590 5 K N 0.756 121.157 120.400 0.001 0.000 2.118 5 K HA 0.448 4.768 4.320 0.001 0.000 0.240 5 K C -0.319 176.354 176.600 0.122 0.000 1.035 5 K CA -0.413 55.859 56.287 -0.026 0.000 0.899 5 K CB 0.906 33.199 32.500 -0.345 0.000 1.085 5 K HN -0.069 nan 8.250 nan 0.000 0.498 6 I N 1.702 122.409 120.570 0.229 0.000 2.339 6 I HA 0.233 4.403 4.170 0.001 0.000 0.290 6 I C 0.182 176.513 176.117 0.356 0.000 0.994 6 I CA -0.613 60.826 61.300 0.231 0.000 1.191 6 I CB 1.391 39.464 38.000 0.121 0.000 1.343 6 I HN 0.401 nan 8.210 nan 0.000 0.458 7 R N 6.921 127.576 120.500 0.258 0.000 2.298 7 R HA 0.336 4.677 4.340 0.001 0.000 0.310 7 R C -0.389 175.874 176.300 -0.062 0.000 1.068 7 R CA -0.688 55.409 56.100 -0.006 0.000 0.957 7 R CB 0.651 30.919 30.300 -0.053 0.000 1.003 7 R HN 0.474 nan 8.270 nan 0.000 0.454 8 M N 6.182 125.706 119.600 -0.126 0.000 2.228 8 M HA 0.218 4.699 4.480 0.001 0.000 0.351 8 M C -1.815 174.428 176.300 -0.096 0.000 1.233 8 M CA -2.397 52.861 55.300 -0.069 0.000 1.129 8 M CB 0.288 32.879 32.600 -0.016 0.000 1.604 8 M HN 0.520 nan 8.290 nan 0.000 0.457 9 P HA 0.254 nan 4.420 nan 0.000 0.275 9 P C 0.575 177.838 177.300 -0.063 0.000 1.266 9 P CA 0.022 63.083 63.100 -0.065 0.000 0.793 9 P CB 0.126 31.794 31.700 -0.053 0.000 1.074 10 E N -0.509 119.658 120.200 -0.055 0.000 2.204 10 E HA -0.130 4.221 4.350 0.001 0.000 0.194 10 E C 1.498 178.074 176.600 -0.040 0.000 0.989 10 E CA 1.919 58.291 56.400 -0.047 0.000 0.824 10 E CB -1.715 27.961 29.700 -0.040 0.000 0.756 10 E HN 0.691 nan 8.360 nan 0.000 0.477 11 T N -2.105 112.425 114.554 -0.040 0.000 3.252 11 T HA 0.185 4.536 4.350 0.001 0.000 0.250 11 T C 1.806 176.479 174.700 -0.046 0.000 1.123 11 T CA 0.595 62.673 62.100 -0.037 0.000 1.006 11 T CB 0.174 69.022 68.868 -0.034 0.000 0.992 11 T HN 0.254 nan 8.240 nan 0.000 0.547 12 V N 1.212 121.096 119.914 -0.050 0.000 2.380 12 V HA -0.089 4.032 4.120 0.001 0.000 0.251 12 V C 2.621 178.666 176.094 -0.081 0.000 1.063 12 V CA 2.174 64.435 62.300 -0.065 0.000 1.055 12 V CB -1.038 30.763 31.823 -0.038 0.000 0.657 12 V HN 0.701 nan 8.190 nan 0.000 0.455 13 A N -1.044 121.748 122.820 -0.047 0.000 2.044 13 A HA 0.155 4.476 4.320 0.001 0.000 0.213 13 A C 2.170 179.742 177.584 -0.020 0.000 1.169 13 A CA 1.433 53.452 52.037 -0.031 0.000 0.724 13 A CB -0.613 18.387 19.000 0.001 0.000 0.840 13 A HN 0.701 nan 8.150 nan 0.000 0.463 14 E N 0.302 120.490 120.200 -0.020 0.000 2.033 14 E HA 0.029 4.380 4.350 0.001 0.000 0.199 14 E C 1.437 178.033 176.600 -0.006 0.000 1.011 14 E CA 1.247 57.641 56.400 -0.010 0.000 0.815 14 E CB -1.532 28.161 29.700 -0.013 0.000 0.755 14 E HN 0.834 nan 8.360 nan 0.000 0.451 15 G N -1.490 107.299 108.800 -0.018 0.000 2.503 15 G HA2 0.364 4.325 3.960 0.001 0.000 0.257 15 G HA3 0.364 4.325 3.960 0.001 0.000 0.257 15 G C 1.081 175.972 174.900 -0.015 0.000 1.214 15 G CA 1.442 46.535 45.100 -0.012 0.000 0.839 15 G HN 1.399 nan 8.290 nan 0.000 0.559 16 T N -2.202 112.362 114.554 0.016 0.000 7.679 16 T HA -0.300 4.051 4.350 0.001 0.000 0.300 16 T C 0.816 175.567 174.700 0.085 0.000 2.098 16 T CA 1.489 63.619 62.100 0.050 0.000 3.313 16 T CB -1.643 67.226 68.868 0.002 0.000 1.898 16 T HN 0.986 nan 8.240 nan 0.000 1.144 17 R N 1.236 121.770 120.500 0.057 0.000 2.449 17 R HA 0.467 4.808 4.340 0.001 0.000 0.296 17 R C 0.362 176.702 176.300 0.067 0.000 1.047 17 R CA -0.604 55.536 56.100 0.066 0.000 1.018 17 R CB 0.118 30.444 30.300 0.044 0.000 0.962 17 R HN 0.412 nan 8.270 nan 0.000 0.428 18 L N 5.493 126.758 121.223 0.071 0.000 2.500 18 L HA 0.085 4.426 4.340 0.001 0.000 0.272 18 L C 0.841 177.730 176.870 0.033 0.000 1.149 18 L CA 0.783 55.653 54.840 0.049 0.000 0.897 18 L CB 0.888 42.967 42.059 0.033 0.000 1.178 18 L HN 0.892 nan 8.230 nan 0.000 0.473 19 A N 6.160 128.999 122.820 0.031 0.000 1.874 19 A HA 0.210 4.531 4.320 0.001 0.000 0.214 19 A C 0.588 178.179 177.584 0.012 0.000 1.189 19 A CA 0.919 52.973 52.037 0.027 0.000 0.615 19 A CB -0.179 18.844 19.000 0.038 0.000 0.830 19 A HN 0.598 nan 8.150 nan 0.000 0.443 20 L N -1.179 120.044 121.223 -0.001 0.000 2.422 20 L HA 0.532 4.873 4.340 0.001 0.000 0.264 20 L C -0.353 176.479 176.870 -0.062 0.000 0.984 20 L CA -1.063 53.766 54.840 -0.018 0.000 0.819 20 L CB 2.023 44.087 42.059 0.008 0.000 1.330 20 L HN 0.179 nan 8.230 nan 0.000 0.410 21 R N 1.989 122.453 120.500 -0.060 0.000 2.441 21 R HA 0.657 4.997 4.340 0.001 0.000 0.284 21 R C -0.222 176.054 176.300 -0.039 0.000 1.070 21 R CA 0.034 56.081 56.100 -0.088 0.000 1.047 21 R CB 1.241 31.514 30.300 -0.045 0.000 1.016 21 R HN 0.719 nan 8.270 nan 0.000 0.477 22 A N 3.734 126.468 122.820 -0.143 0.000 2.406 22 A HA 0.477 4.798 4.320 0.001 0.000 0.243 22 A C -0.639 177.066 177.584 0.201 0.000 1.082 22 A CA 0.075 52.118 52.037 0.011 0.000 0.786 22 A CB -0.146 18.778 19.000 -0.126 0.000 1.029 22 A HN 0.719 nan 8.150 nan 0.000 0.495 23 F N -1.517 118.421 119.950 -0.020 0.000 2.686 23 F HA 0.760 5.288 4.527 0.001 0.000 0.311 23 F C -0.441 175.364 175.800 0.009 0.000 1.128 23 F CA -0.944 57.031 58.000 -0.042 0.000 0.946 23 F CB 0.806 39.796 39.000 -0.017 0.000 1.336 23 F HN 0.391 nan 8.300 nan 0.000 0.457 24 S N 1.339 116.990 115.700 -0.082 0.000 2.664 24 S HA 0.790 5.261 4.470 0.001 0.000 0.304 24 S C -1.426 173.333 174.600 0.265 0.000 1.099 24 S CA -0.786 57.403 58.200 -0.019 0.000 1.003 24 S CB 1.905 65.150 63.200 0.075 0.000 1.092 24 S HN 0.843 nan 8.310 nan 0.000 0.525 25 L N 2.080 123.477 121.223 0.289 0.000 2.362 25 L HA 0.827 5.168 4.340 0.001 0.000 0.275 25 L C -1.158 175.944 176.870 0.387 0.000 0.998 25 L CA -0.585 54.464 54.840 0.349 0.000 0.820 25 L CB 1.537 43.714 42.059 0.197 0.000 1.270 25 L HN 0.486 nan 8.230 nan 0.000 0.415 26 V N 6.058 126.209 119.914 0.395 0.000 2.604 26 V HA 0.807 4.928 4.120 0.001 0.000 0.305 26 V C -1.364 174.869 176.094 0.231 0.000 1.043 26 V CA -0.272 62.245 62.300 0.362 0.000 0.888 26 V CB 2.109 34.144 31.823 0.353 0.000 0.995 26 V HN 0.597 nan 8.190 nan 0.000 0.429 27 V N 5.745 125.720 119.914 0.103 0.000 3.048 27 V HA 0.932 5.053 4.120 0.001 0.000 0.303 27 V C -0.620 175.506 176.094 0.053 0.000 1.214 27 V CA 0.165 62.418 62.300 -0.079 0.000 0.984 27 V CB 2.331 33.706 31.823 -0.746 0.000 1.054 27 V HN 1.453 nan 8.190 nan 0.000 0.430 28 A N 5.068 127.949 122.820 0.103 0.000 2.304 28 A HA 0.876 5.196 4.320 0.001 0.000 0.314 28 A C -0.634 177.098 177.584 0.246 0.000 1.187 28 A CA -0.068 52.079 52.037 0.182 0.000 0.810 28 A CB 1.344 20.546 19.000 0.338 0.000 1.183 28 A HN 1.915 nan 8.150 nan 0.000 0.487 29 V N 0.562 120.514 119.914 0.062 0.000 2.960 29 V HA 0.825 4.945 4.120 0.001 0.000 0.315 29 V C -0.260 175.670 176.094 -0.273 0.000 1.087 29 V CA -0.758 61.578 62.300 0.059 0.000 0.982 29 V CB 1.713 33.592 31.823 0.093 0.000 1.039 29 V HN 0.918 nan 8.190 nan 0.000 0.437 30 D N 0.826 121.095 120.400 -0.218 0.000 2.478 30 D HA 0.241 4.882 4.640 0.001 0.000 0.274 30 D C 0.631 176.863 176.300 -0.115 0.000 1.234 30 D CA -0.225 53.591 54.000 -0.306 0.000 1.069 30 D CB 0.566 41.259 40.800 -0.177 0.000 1.113 30 D HN 0.665 nan 8.370 nan 0.000 0.571 31 E N -1.568 118.586 120.200 -0.075 0.000 2.435 31 E HA 0.018 4.369 4.350 0.001 0.000 0.195 31 E C 0.948 177.571 176.600 0.039 0.000 1.029 31 E CA 0.148 56.539 56.400 -0.015 0.000 0.865 31 E CB 0.234 29.930 29.700 -0.008 0.000 0.833 31 E HN 0.177 nan 8.360 nan 0.000 0.510 32 R N -0.092 120.457 120.500 0.083 0.000 2.426 32 R HA 0.128 4.469 4.340 0.001 0.000 0.263 32 R C 0.879 177.324 176.300 0.242 0.000 0.961 32 R CA 0.378 56.564 56.100 0.143 0.000 1.086 32 R CB 0.323 30.735 30.300 0.186 0.000 1.186 32 R HN 0.251 nan 8.270 nan 0.000 0.537 33 G N 0.398 109.311 108.800 0.188 0.000 2.168 33 G HA2 -0.274 3.686 3.960 0.001 0.000 0.263 33 G HA3 -0.274 3.686 3.960 0.001 0.000 0.263 33 G C 0.551 175.654 174.900 0.340 0.000 0.977 33 G CA 0.281 45.527 45.100 0.243 0.000 0.659 33 G HN 0.553 nan 8.290 nan 0.000 0.533 34 G N -0.270 108.676 108.800 0.244 0.000 2.432 34 G HA2 0.598 4.559 3.960 0.001 0.000 0.257 34 G HA3 0.598 4.559 3.960 0.001 0.000 0.257 34 G C 1.084 176.051 174.900 0.113 0.000 1.238 34 G CA -0.023 45.029 45.100 -0.081 0.000 0.838 34 G HN 1.186 nan 8.290 nan 0.000 0.547 35 I N -0.170 120.390 120.570 -0.017 0.000 4.312 35 I HA 0.601 4.771 4.170 0.001 0.000 0.324 35 I C 0.762 176.800 176.117 -0.133 0.000 1.298 35 I CA 0.069 61.430 61.300 0.102 0.000 1.231 35 I CB 0.750 38.837 38.000 0.146 0.000 1.152 35 I HN 0.681 nan 8.210 nan 0.000 0.421 36 G N 1.555 110.224 108.800 -0.217 0.000 2.356 36 G HA2 0.236 4.196 3.960 0.001 0.000 0.294 36 G HA3 0.236 4.196 3.960 0.001 0.000 0.294 36 G C -1.422 173.346 174.900 -0.221 0.000 1.423 36 G CA 0.198 45.133 45.100 -0.274 0.000 0.806 36 G HN 0.174 nan 8.290 nan 0.000 0.527 37 D N -1.585 118.704 120.400 -0.184 0.000 2.340 37 D HA 0.382 5.023 4.640 0.001 0.000 0.217 37 D C 1.622 177.870 176.300 -0.088 0.000 1.081 37 D CA 0.924 54.849 54.000 -0.124 0.000 0.842 37 D CB 0.391 41.130 40.800 -0.102 0.000 0.934 37 D HN 1.861 nan 8.370 nan 0.000 0.511 38 G N 0.437 109.182 108.800 -0.093 0.000 2.234 38 G HA2 -0.343 3.618 3.960 0.001 0.000 0.235 38 G HA3 -0.343 3.618 3.960 0.001 0.000 0.235 38 G C 1.334 176.197 174.900 -0.063 0.000 0.997 38 G CA 0.216 45.280 45.100 -0.060 0.000 0.623 38 G HN 0.427 nan 8.290 nan 0.000 0.514 39 R N -0.057 120.394 120.500 -0.082 0.000 2.302 39 R HA 0.444 4.785 4.340 0.001 0.000 0.187 39 R C 1.171 177.405 176.300 -0.110 0.000 0.904 39 R CA 1.063 57.115 56.100 -0.080 0.000 1.105 39 R CB 0.502 30.761 30.300 -0.068 0.000 1.239 39 R HN 0.690 nan 8.270 nan 0.000 0.620 40 S N -0.259 115.354 115.700 -0.145 0.000 2.685 40 S HA 0.499 4.970 4.470 0.001 0.000 0.282 40 S C -0.487 173.940 174.600 -0.289 0.000 1.159 40 S CA -0.904 57.180 58.200 -0.193 0.000 0.833 40 S CB 1.501 64.598 63.200 -0.172 0.000 1.151 40 S HN 0.058 nan 8.310 nan 0.000 0.485 41 I N 2.395 122.732 120.570 -0.388 0.000 2.352 41 I HA 0.282 4.452 4.170 0.001 0.000 0.290 41 I C -1.513 174.192 176.117 -0.687 0.000 1.036 41 I CA -2.141 58.753 61.300 -0.676 0.000 1.336 41 I CB 1.443 38.986 38.000 -0.762 0.000 1.407 41 I HN 0.606 nan 8.210 nan 0.000 0.497 42 P HA -0.096 nan 4.420 nan 0.000 0.216 42 P C -0.173 177.006 177.300 -0.202 0.000 1.153 42 P CA 0.822 63.723 63.100 -0.333 0.000 0.844 42 P CB -0.017 31.590 31.700 -0.156 0.000 0.787 43 W N 0.546 121.807 121.300 -0.064 0.000 2.089 43 W HA 0.507 5.168 4.660 0.001 0.000 0.362 43 W C -0.160 176.317 176.519 -0.071 0.000 1.362 43 W CA -0.683 56.625 57.345 -0.063 0.000 1.460 43 W CB -0.607 28.812 29.460 -0.068 0.000 1.204 43 W HN -0.225 nan 8.180 nan 0.000 0.657 44 N N 0.266 119.105 118.700 0.231 0.000 2.577 44 N HA 0.401 5.142 4.740 0.001 0.000 0.275 44 N C -2.307 173.265 175.510 0.103 0.000 1.091 44 N CA -0.702 52.410 53.050 0.103 0.000 0.843 44 N CB 1.424 39.931 38.487 0.032 0.000 1.295 44 N HN 0.402 nan 8.380 nan 0.000 0.530 45 V N 6.227 126.200 119.914 0.097 0.000 2.439 45 V HA 0.351 4.472 4.120 0.001 0.000 0.277 45 V C -1.678 174.380 176.094 -0.061 0.000 1.008 45 V CA -1.211 61.071 62.300 -0.030 0.000 0.846 45 V CB 1.655 33.407 31.823 -0.119 0.000 1.031 45 V HN 0.529 nan 8.190 nan 0.000 0.441 46 P HA -0.124 nan 4.420 nan 0.000 0.216 46 P C 1.300 178.586 177.300 -0.024 0.000 1.150 46 P CA 1.171 64.249 63.100 -0.036 0.000 0.837 46 P CB 0.490 32.175 31.700 -0.024 0.000 0.786 47 E N -0.740 119.413 120.200 -0.080 0.000 2.204 47 E HA -0.196 4.155 4.350 0.001 0.000 0.195 47 E C 1.696 178.369 176.600 0.123 0.000 0.990 47 E CA 1.300 57.696 56.400 -0.007 0.000 0.821 47 E CB -0.785 28.855 29.700 -0.100 0.000 0.750 47 E HN 0.370 nan 8.360 nan 0.000 0.477 48 D N -0.736 119.676 120.400 0.020 0.000 2.162 48 D HA -0.107 4.534 4.640 0.001 0.000 0.203 48 D C 1.661 178.109 176.300 0.248 0.000 0.967 48 D CA 0.844 54.978 54.000 0.222 0.000 0.840 48 D CB 0.149 41.019 40.800 0.116 0.000 0.972 48 D HN -0.039 nan 8.370 nan 0.000 0.482 49 M N 0.519 120.192 119.600 0.123 0.000 2.108 49 M HA -0.121 4.360 4.480 0.001 0.000 0.261 49 M C 2.196 178.574 176.300 0.130 0.000 1.066 49 M CA 1.324 56.687 55.300 0.104 0.000 1.107 49 M CB -0.972 31.628 32.600 -0.001 0.000 1.356 49 M HN 0.118 nan 8.290 nan 0.000 0.406 50 K N -0.487 119.972 120.400 0.098 0.000 2.025 50 K HA -0.180 4.141 4.320 0.001 0.000 0.207 50 K C 2.049 178.678 176.600 0.048 0.000 1.049 50 K CA 1.232 57.553 56.287 0.057 0.000 0.933 50 K CB -0.252 32.285 32.500 0.062 0.000 0.714 50 K HN 0.147 nan 8.250 nan 0.000 0.438 51 F N 0.969 120.912 119.950 -0.012 0.000 2.134 51 F HA -0.205 4.323 4.527 0.001 0.000 0.299 51 F C 1.920 177.650 175.800 -0.117 0.000 1.097 51 F CA 1.428 59.350 58.000 -0.129 0.000 1.264 51 F CB -0.514 38.336 39.000 -0.251 0.000 1.001 51 F HN 0.089 nan 8.300 nan 0.000 0.479 52 F N 1.438 121.327 119.950 -0.102 0.000 2.095 52 F HA -0.199 4.329 4.527 0.001 0.000 0.298 52 F C 2.709 178.310 175.800 -0.331 0.000 1.104 52 F CA 2.296 60.169 58.000 -0.213 0.000 1.232 52 F CB -0.778 38.196 39.000 -0.043 0.000 0.987 52 F HN -0.020 nan 8.300 nan 0.000 0.475 53 R N 0.351 120.668 120.500 -0.306 0.000 2.080 53 R HA -0.188 4.153 4.340 0.001 0.000 0.236 53 R C 1.975 177.996 176.300 -0.465 0.000 1.137 53 R CA 2.294 58.163 56.100 -0.385 0.000 0.943 53 R CB -0.700 29.506 30.300 -0.157 0.000 0.846 53 R HN 0.256 nan 8.270 nan 0.000 0.431 54 D N -0.049 120.097 120.400 -0.423 0.000 2.097 54 D HA -0.152 4.489 4.640 0.001 0.000 0.195 54 D C 1.859 177.812 176.300 -0.579 0.000 0.989 54 D CA 1.276 55.026 54.000 -0.418 0.000 0.827 54 D CB -0.396 40.205 40.800 -0.331 0.000 0.966 54 D HN 0.142 nan 8.370 nan 0.000 0.456 55 V N 1.013 120.389 119.914 -0.896 0.000 2.626 55 V HA -0.177 3.943 4.120 0.001 0.000 0.252 55 V C 2.359 177.813 176.094 -1.067 0.000 1.067 55 V CA 2.406 64.090 62.300 -1.026 0.000 1.081 55 V CB -0.468 30.452 31.823 -1.504 0.000 0.686 55 V HN 0.393 nan 8.190 nan 0.000 0.468 56 T N -4.628 109.276 114.554 -1.083 0.000 3.009 56 T HA -0.085 4.266 4.350 0.001 0.000 0.258 56 T C 1.740 176.132 174.700 -0.512 0.000 1.063 56 T CA 1.433 62.896 62.100 -1.061 0.000 1.139 56 T CB -0.281 67.955 68.868 -1.054 0.000 0.890 56 T HN 0.432 nan 8.240 nan 0.000 0.471 57 T N 1.494 115.793 114.554 -0.425 0.000 2.852 57 T HA 0.147 4.498 4.350 0.001 0.000 0.256 57 T C 0.831 175.434 174.700 -0.161 0.000 1.038 57 T CA 0.518 62.477 62.100 -0.236 0.000 1.141 57 T CB -0.096 68.647 68.868 -0.208 0.000 0.869 57 T HN 0.406 nan 8.240 nan 0.000 0.439 58 K N 1.453 121.736 120.400 -0.196 0.000 2.382 58 K HA 0.352 4.673 4.320 0.001 0.000 0.275 58 K C -0.483 176.077 176.600 -0.067 0.000 1.009 58 K CA -0.021 56.190 56.287 -0.127 0.000 0.970 58 K CB 0.534 32.945 32.500 -0.149 0.000 0.934 58 K HN 0.197 nan 8.250 nan 0.000 0.479 59 L N 2.392 123.593 121.223 -0.036 0.000 2.358 59 L HA 0.434 4.775 4.340 0.001 0.000 0.268 59 L C 0.647 177.511 176.870 -0.010 0.000 1.032 59 L CA -1.065 53.771 54.840 -0.007 0.000 0.805 59 L CB 1.115 43.175 42.059 0.001 0.000 1.253 59 L HN 0.480 nan 8.230 nan 0.000 0.452 60 R N 0.326 120.827 120.500 0.001 0.000 2.738 60 R HA 0.470 4.811 4.340 0.001 0.000 0.268 60 R C 0.305 176.604 176.300 -0.002 0.000 1.062 60 R CA 0.588 56.686 56.100 -0.004 0.000 1.158 60 R CB 0.356 30.653 30.300 -0.005 0.000 1.046 60 R HN 0.898 nan 8.270 nan 0.000 0.493 61 G N 0.875 109.672 108.800 -0.003 0.000 2.660 61 G HA2 -0.254 3.707 3.960 0.001 0.000 0.247 61 G HA3 -0.254 3.707 3.960 0.001 0.000 0.247 61 G C 0.028 174.927 174.900 -0.001 0.000 1.328 61 G CA -0.139 44.962 45.100 0.002 0.000 0.884 61 G HN 0.568 nan 8.290 nan 0.000 0.531 62 K N 0.102 120.504 120.400 0.002 0.000 2.025 62 K HA 0.012 4.332 4.320 0.001 0.000 0.211 62 K C 1.275 177.873 176.600 -0.004 0.000 1.029 62 K CA 0.589 56.876 56.287 -0.000 0.000 0.948 62 K CB -0.295 32.207 32.500 0.003 0.000 0.768 62 K HN 0.541 nan 8.250 nan 0.000 0.446 63 N N 1.584 120.284 118.700 -0.001 0.000 2.427 63 N HA -0.049 4.691 4.740 0.001 0.000 0.269 63 N C 0.555 176.062 175.510 -0.004 0.000 1.235 63 N CA 0.185 53.234 53.050 -0.003 0.000 0.934 63 N CB 0.803 39.291 38.487 0.001 0.000 1.121 63 N HN -0.058 nan 8.380 nan 0.000 0.480 64 V N 4.612 124.519 119.914 -0.011 0.000 2.261 64 V HA -0.048 4.073 4.120 0.001 0.000 0.235 64 V C 0.624 176.713 176.094 -0.009 0.000 1.044 64 V CA 0.770 63.061 62.300 -0.015 0.000 1.007 64 V CB -0.953 30.852 31.823 -0.030 0.000 0.647 64 V HN 0.870 nan 8.190 nan 0.000 0.462 65 K N 0.507 120.899 120.400 -0.012 0.000 4.838 65 K HA -0.168 4.153 4.320 0.001 0.000 0.300 65 K C -2.476 174.122 176.600 -0.004 0.000 0.861 65 K CA -0.239 56.044 56.287 -0.007 0.000 0.929 65 K CB -1.246 31.253 32.500 -0.002 0.000 1.772 65 K HN 0.406 nan 8.250 nan 0.000 0.422 66 P HA 0.037 nan 4.420 nan 0.000 0.269 66 P C -0.423 176.881 177.300 0.007 0.000 1.209 66 P CA -0.122 62.978 63.100 -0.000 0.000 0.776 66 P CB 1.193 32.889 31.700 -0.007 0.000 0.876 67 S N 1.447 117.155 115.700 0.013 0.000 2.625 67 S HA 0.521 4.992 4.470 0.001 0.000 0.271 67 S C -2.368 172.245 174.600 0.022 0.000 1.161 67 S CA -1.375 56.835 58.200 0.016 0.000 0.820 67 S CB 1.347 64.554 63.200 0.013 0.000 1.137 67 S HN 0.093 nan 8.310 nan 0.000 0.470 68 P HA -0.105 nan 4.420 nan 0.000 0.217 68 P C 1.446 178.757 177.300 0.020 0.000 1.148 68 P CA 2.169 65.283 63.100 0.024 0.000 0.834 68 P CB -0.376 31.334 31.700 0.016 0.000 0.783 69 A N -1.371 121.458 122.820 0.015 0.000 1.929 69 A HA -0.049 4.272 4.320 0.001 0.000 0.216 69 A C 1.294 178.891 177.584 0.021 0.000 1.176 69 A CA 1.218 53.263 52.037 0.013 0.000 0.628 69 A CB -0.464 18.543 19.000 0.011 0.000 0.816 69 A HN 0.134 nan 8.150 nan 0.000 0.444 70 K N -0.512 119.903 120.400 0.024 0.000 2.652 70 K HA 0.462 4.783 4.320 0.001 0.000 0.249 70 K C -0.880 175.738 176.600 0.029 0.000 0.986 70 K CA -0.379 55.925 56.287 0.028 0.000 0.867 70 K CB 1.010 33.524 32.500 0.024 0.000 1.201 70 K HN 0.603 nan 8.250 nan 0.000 0.450 71 R N 1.295 121.818 120.500 0.038 0.000 2.712 71 R HA 0.501 4.842 4.340 0.001 0.000 0.272 71 R C -1.066 175.265 176.300 0.051 0.000 1.032 71 R CA -1.114 55.009 56.100 0.038 0.000 0.874 71 R CB 0.538 30.861 30.300 0.038 0.000 1.256 71 R HN 0.279 nan 8.270 nan 0.000 0.468 72 N N -0.278 118.455 118.700 0.055 0.000 2.463 72 N HA 0.577 5.318 4.740 0.001 0.000 0.270 72 N C -0.944 174.615 175.510 0.081 0.000 1.205 72 N CA -0.185 52.919 53.050 0.090 0.000 0.974 72 N CB 1.660 40.248 38.487 0.168 0.000 1.197 72 N HN 0.696 nan 8.380 nan 0.000 0.504 73 A N -0.012 122.864 122.820 0.093 0.000 2.365 73 A HA 0.600 4.921 4.320 0.001 0.000 0.318 73 A C -0.448 177.204 177.584 0.113 0.000 1.091 73 A CA -0.731 51.344 52.037 0.063 0.000 0.763 73 A CB 0.841 19.843 19.000 0.002 0.000 1.248 73 A HN 0.418 nan 8.150 nan 0.000 0.442 74 V N 0.455 120.421 119.914 0.086 0.000 2.459 74 V HA 0.800 4.921 4.120 0.001 0.000 0.295 74 V C -0.500 175.636 176.094 0.070 0.000 1.029 74 V CA -0.678 61.693 62.300 0.118 0.000 0.874 74 V CB 1.053 32.947 31.823 0.117 0.000 0.985 74 V HN 0.597 nan 8.190 nan 0.000 0.438 75 V N 7.177 127.131 119.914 0.066 0.000 2.384 75 V HA 0.664 4.785 4.120 0.001 0.000 0.287 75 V C 0.129 176.225 176.094 0.003 0.000 1.020 75 V CA -0.310 61.986 62.300 -0.006 0.000 0.850 75 V CB 1.313 33.096 31.823 -0.067 0.000 0.987 75 V HN 1.110 nan 8.190 nan 0.000 0.436 76 M N 3.448 123.041 119.600 -0.012 0.000 2.550 76 M HA 0.859 5.339 4.480 0.001 0.000 0.292 76 M C 0.045 176.320 176.300 -0.042 0.000 1.221 76 M CA -0.521 54.769 55.300 -0.016 0.000 0.873 76 M CB 2.220 34.860 32.600 0.067 0.000 1.727 76 M HN 0.588 nan 8.290 nan 0.000 0.459 77 G N 1.151 109.912 108.800 -0.064 0.000 2.569 77 G HA2 0.229 4.190 3.960 0.001 0.000 0.249 77 G HA3 0.229 4.190 3.960 0.001 0.000 0.249 77 G C 0.375 175.280 174.900 0.008 0.000 1.216 77 G CA -0.567 44.503 45.100 -0.050 0.000 0.845 77 G HN 1.007 nan 8.290 nan 0.000 0.568 78 R N 0.514 121.016 120.500 0.004 0.000 2.105 78 R HA -0.110 4.231 4.340 0.001 0.000 0.239 78 R C 2.157 178.529 176.300 0.120 0.000 1.135 78 R CA 1.670 57.805 56.100 0.059 0.000 0.967 78 R CB -0.200 30.109 30.300 0.014 0.000 0.861 78 R HN 0.606 nan 8.270 nan 0.000 0.442 79 K N -0.875 119.554 120.400 0.049 0.000 2.148 79 K HA -0.053 4.268 4.320 0.001 0.000 0.204 79 K C 1.986 178.596 176.600 0.016 0.000 1.050 79 K CA 1.763 58.066 56.287 0.027 0.000 0.942 79 K CB -0.000 32.495 32.500 -0.008 0.000 0.724 79 K HN 0.195 nan 8.250 nan 0.000 0.446 80 T N 0.778 115.340 114.554 0.014 0.000 2.777 80 T HA -0.170 4.181 4.350 0.001 0.000 0.266 80 T C 1.207 175.939 174.700 0.054 0.000 1.040 80 T CA 0.843 62.939 62.100 -0.007 0.000 1.141 80 T CB -0.211 68.635 68.868 -0.037 0.000 0.868 80 T HN 0.461 nan 8.240 nan 0.000 0.444 81 W N 2.533 123.801 121.300 -0.052 0.000 2.335 81 W HA -0.180 4.481 4.660 0.001 0.000 0.311 81 W C 1.310 177.814 176.519 -0.025 0.000 1.213 81 W CA 1.416 58.743 57.345 -0.030 0.000 1.274 81 W CB -0.361 29.082 29.460 -0.027 0.000 1.148 81 W HN 0.226 nan 8.180 nan 0.000 0.498 82 D N 0.170 120.602 120.400 0.054 0.000 2.178 82 D HA -0.180 4.461 4.640 0.001 0.000 0.201 82 D C 2.413 178.640 176.300 -0.122 0.000 0.980 82 D CA 2.221 56.190 54.000 -0.052 0.000 0.842 82 D CB -0.545 40.278 40.800 0.038 0.000 0.948 82 D HN 0.240 nan 8.370 nan 0.000 0.472 83 S N -0.301 115.339 115.700 -0.101 0.000 2.522 83 S HA -0.014 4.456 4.470 0.001 0.000 0.227 83 S C 0.982 175.501 174.600 -0.134 0.000 0.986 83 S CA -0.136 57.997 58.200 -0.112 0.000 0.929 83 S CB -0.288 62.846 63.200 -0.110 0.000 0.769 83 S HN 0.121 nan 8.310 nan 0.000 0.529 84 I N 3.071 123.531 120.570 -0.183 0.000 2.352 84 I HA 0.328 4.499 4.170 0.001 0.000 0.290 84 I C -2.504 173.501 176.117 -0.187 0.000 1.036 84 I CA -2.673 58.524 61.300 -0.172 0.000 1.336 84 I CB 0.802 38.668 38.000 -0.224 0.000 1.407 84 I HN -0.046 nan 8.210 nan 0.000 0.497 85 P HA 0.023 nan 4.420 nan 0.000 0.264 85 P C -2.015 175.168 177.300 -0.196 0.000 1.183 85 P CA -0.841 62.203 63.100 -0.093 0.000 0.763 85 P CB 0.078 31.780 31.700 0.004 0.000 0.807 86 P HA -0.208 nan 4.420 nan 0.000 0.217 86 P C 1.409 178.568 177.300 -0.235 0.000 1.148 86 P CA 1.651 64.611 63.100 -0.234 0.000 0.828 86 P CB 0.005 31.607 31.700 -0.164 0.000 0.783 87 K N -1.172 119.027 120.400 -0.334 0.000 2.147 87 K HA -0.115 4.205 4.320 0.001 0.000 0.205 87 K C 1.130 177.484 176.600 -0.409 0.000 1.049 87 K CA 1.300 57.321 56.287 -0.444 0.000 0.936 87 K CB -0.316 31.766 32.500 -0.697 0.000 0.722 87 K HN 0.049 nan 8.250 nan 0.000 0.446 88 F N 0.962 120.843 119.950 -0.114 0.000 2.727 88 F HA 0.160 4.688 4.527 0.001 0.000 0.302 88 F C 0.174 175.898 175.800 -0.127 0.000 1.097 88 F CA -0.183 57.755 58.000 -0.102 0.000 1.330 88 F CB 0.217 39.159 39.000 -0.096 0.000 1.084 88 F HN -0.106 nan 8.300 nan 0.000 0.578 89 R N 0.734 121.193 120.500 -0.069 0.000 2.664 89 R HA 0.546 4.887 4.340 0.001 0.000 0.286 89 R C -2.748 173.552 176.300 0.000 0.000 0.967 89 R CA -2.031 53.980 56.100 -0.149 0.000 0.933 89 R CB -0.169 29.714 30.300 -0.695 0.000 1.146 89 R HN -0.191 nan 8.270 nan 0.000 0.468 90 P HA 0.076 nan 4.420 nan 0.000 0.274 90 P C -0.443 176.939 177.300 0.136 0.000 1.231 90 P CA -0.475 62.764 63.100 0.232 0.000 0.790 90 P CB 0.702 32.565 31.700 0.272 0.000 0.951 91 L N 3.227 124.538 121.223 0.147 0.000 2.534 91 L HA 0.118 4.459 4.340 0.001 0.000 0.271 91 L C -1.854 175.055 176.870 0.065 0.000 1.178 91 L CA -1.558 53.340 54.840 0.096 0.000 0.907 91 L CB -0.616 41.505 42.059 0.102 0.000 1.164 91 L HN 0.226 nan 8.230 nan 0.000 0.482 92 P HA 0.085 nan 4.420 nan 0.000 0.269 92 P C 0.829 178.129 177.300 -0.000 0.000 1.209 92 P CA 0.375 63.492 63.100 0.028 0.000 0.776 92 P CB 0.953 32.667 31.700 0.023 0.000 0.876 93 G N 0.975 109.778 108.800 0.006 0.000 2.179 93 G HA2 -0.210 3.751 3.960 0.001 0.000 0.260 93 G HA3 -0.210 3.751 3.960 0.001 0.000 0.260 93 G C 0.055 174.952 174.900 -0.006 0.000 0.977 93 G CA -0.025 45.070 45.100 -0.008 0.000 0.641 93 G HN 0.796 nan 8.290 nan 0.000 0.533 94 R N -0.879 119.625 120.500 0.007 0.000 2.774 94 R HA 0.713 5.054 4.340 0.001 0.000 0.272 94 R C -0.789 175.537 176.300 0.044 0.000 1.000 94 R CA -1.334 54.777 56.100 0.019 0.000 0.906 94 R CB 1.264 31.561 30.300 -0.004 0.000 1.227 94 R HN 0.574 nan 8.270 nan 0.000 0.468 95 L N 1.760 123.011 121.223 0.048 0.000 2.477 95 L HA 0.210 4.551 4.340 0.001 0.000 0.272 95 L C -0.416 176.473 176.870 0.031 0.000 1.157 95 L CA 0.388 55.254 54.840 0.043 0.000 0.889 95 L CB 0.026 42.108 42.059 0.039 0.000 1.158 95 L HN 0.519 nan 8.230 nan 0.000 0.473 96 N N 4.832 123.556 118.700 0.040 0.000 2.420 96 N HA 0.248 4.989 4.740 0.001 0.000 0.249 96 N C -1.257 174.219 175.510 -0.056 0.000 1.033 96 N CA -0.453 52.626 53.050 0.048 0.000 0.944 96 N CB 1.491 40.073 38.487 0.158 0.000 1.113 96 N HN 0.380 nan 8.380 nan 0.000 0.502 97 V N 3.412 123.284 119.914 -0.069 0.000 2.357 97 V HA 0.279 4.400 4.120 0.001 0.000 0.284 97 V C 0.193 176.202 176.094 -0.141 0.000 1.018 97 V CA -0.723 61.495 62.300 -0.138 0.000 0.841 97 V CB 1.509 33.240 31.823 -0.153 0.000 0.991 97 V HN 0.273 nan 8.190 nan 0.000 0.437 98 V N 6.474 126.254 119.914 -0.223 0.000 2.398 98 V HA 0.451 4.572 4.120 0.001 0.000 0.286 98 V C -0.040 175.941 176.094 -0.189 0.000 1.026 98 V CA -0.600 61.557 62.300 -0.238 0.000 0.868 98 V CB 1.687 33.214 31.823 -0.494 0.000 0.982 98 V HN 0.651 nan 8.190 nan 0.000 0.443 99 L N 4.243 125.386 121.223 -0.133 0.000 2.281 99 L HA 0.692 5.033 4.340 0.001 0.000 0.285 99 L C 0.272 177.084 176.870 -0.096 0.000 1.074 99 L CA 0.383 55.157 54.840 -0.109 0.000 0.817 99 L CB 1.261 43.266 42.059 -0.091 0.000 1.168 99 L HN 0.749 nan 8.230 nan 0.000 0.434 100 S N 0.383 116.028 115.700 -0.092 0.000 2.542 100 S HA 0.254 4.725 4.470 0.001 0.000 0.276 100 S C 0.379 174.943 174.600 -0.061 0.000 1.148 100 S CA -0.142 58.014 58.200 -0.073 0.000 0.886 100 S CB 1.754 64.900 63.200 -0.090 0.000 1.109 100 S HN 0.667 nan 8.310 nan 0.000 0.458 101 S N 1.750 117.424 115.700 -0.043 0.000 2.528 101 S HA 0.060 4.530 4.470 0.001 0.000 0.219 101 S C 1.304 175.885 174.600 -0.032 0.000 0.985 101 S CA 1.070 59.249 58.200 -0.035 0.000 0.914 101 S CB -0.370 62.816 63.200 -0.024 0.000 0.776 101 S HN 0.944 nan 8.310 nan 0.000 0.526 102 T N -1.071 113.463 114.554 -0.034 0.000 3.019 102 T HA 0.404 4.754 4.350 0.001 0.000 0.247 102 T C 0.435 175.113 174.700 -0.037 0.000 0.992 102 T CA -0.394 61.690 62.100 -0.028 0.000 1.036 102 T CB -0.222 68.636 68.868 -0.017 0.000 1.063 102 T HN 0.147 nan 8.240 nan 0.000 0.476 103 L N 4.490 125.681 121.223 -0.053 0.000 2.361 103 L HA 0.400 4.741 4.340 0.001 0.000 0.278 103 L C 0.888 177.704 176.870 -0.090 0.000 1.113 103 L CA 0.263 55.060 54.840 -0.072 0.000 0.849 103 L CB 0.471 42.468 42.059 -0.104 0.000 1.155 103 L HN 0.539 nan 8.230 nan 0.000 0.452 104 T N -1.118 113.392 114.554 -0.074 0.000 2.902 104 T HA 0.122 4.473 4.350 0.001 0.000 0.280 104 T C 1.230 175.874 174.700 -0.094 0.000 0.992 104 T CA -0.194 61.863 62.100 -0.073 0.000 1.015 104 T CB 1.470 70.311 68.868 -0.046 0.000 1.044 104 T HN 0.606 nan 8.240 nan 0.000 0.520 105 T N -0.511 113.990 114.554 -0.087 0.000 2.881 105 T HA -0.155 4.196 4.350 0.001 0.000 0.270 105 T C 1.789 176.450 174.700 -0.065 0.000 1.068 105 T CA 1.808 63.851 62.100 -0.094 0.000 1.131 105 T CB -0.469 68.359 68.868 -0.067 0.000 0.871 105 T HN 0.687 nan 8.240 nan 0.000 0.479 106 Q N -0.141 119.634 119.800 -0.043 0.000 2.123 106 Q HA 0.041 4.381 4.340 0.001 0.000 0.196 106 Q C 2.299 178.289 176.000 -0.016 0.000 0.958 106 Q CA 2.333 58.123 55.803 -0.022 0.000 0.841 106 Q CB -0.910 27.819 28.738 -0.015 0.000 0.915 106 Q HN 0.865 nan 8.270 nan 0.000 0.455 107 H N 0.082 119.137 119.070 -0.024 0.000 2.456 107 H HA 0.058 4.615 4.556 0.001 0.000 0.296 107 H C 1.912 177.243 175.328 0.004 0.000 1.079 107 H CA 1.518 57.560 56.048 -0.010 0.000 1.322 107 H CB -0.490 29.262 29.762 -0.016 0.000 1.388 107 H HN 0.337 nan 8.280 nan 0.000 0.538 108 L N -0.941 120.262 121.223 -0.033 0.000 2.209 108 L HA 0.032 4.373 4.340 0.001 0.000 0.207 108 L C 2.430 179.338 176.870 0.063 0.000 1.094 108 L CA 0.464 55.297 54.840 -0.011 0.000 0.790 108 L CB -0.067 41.840 42.059 -0.253 0.000 0.932 108 L HN 0.392 nan 8.230 nan 0.000 0.447 109 L N -0.582 120.651 121.223 0.018 0.000 2.551 109 L HA 0.041 4.382 4.340 0.001 0.000 0.228 109 L C -0.024 176.875 176.870 0.048 0.000 1.153 109 L CA 1.132 55.996 54.840 0.039 0.000 0.851 109 L CB -0.462 41.604 42.059 0.013 0.000 0.959 109 L HN 0.111 nan 8.230 nan 0.000 0.451 110 D N 0.317 120.745 120.400 0.047 0.000 2.256 110 D HA 0.604 5.245 4.640 0.001 0.000 0.240 110 D C 0.417 176.750 176.300 0.056 0.000 1.062 110 D CA 0.468 54.492 54.000 0.041 0.000 0.832 110 D CB 1.288 42.103 40.800 0.026 0.000 1.135 110 D HN 0.112 nan 8.370 nan 0.000 0.484 111 G N 0.088 108.916 108.800 0.046 0.000 3.043 111 G HA2 0.125 4.085 3.960 0.001 0.000 0.239 111 G HA3 0.125 4.085 3.960 0.001 0.000 0.239 111 G C 0.162 175.089 174.900 0.044 0.000 1.042 111 G CA -0.076 45.049 45.100 0.041 0.000 1.189 111 G HN 0.604 nan 8.290 nan 0.000 0.578 112 L N -0.005 121.231 121.223 0.023 0.000 2.738 112 L HA 0.861 5.201 4.340 0.001 0.000 0.175 112 L C -1.344 175.509 176.870 -0.028 0.000 1.125 112 L CA 1.463 56.309 54.840 0.010 0.000 0.857 112 L CB -1.217 40.858 42.059 0.026 0.000 1.300 112 L HN 0.605 nan 8.230 nan 0.000 0.499 113 P HA 0.726 nan 4.420 nan 0.000 0.307 113 P C -1.727 175.570 177.300 -0.005 0.000 1.450 113 P CA -0.070 63.026 63.100 -0.007 0.000 1.026 113 P CB 2.403 34.096 31.700 -0.011 0.000 1.040 122 A N 1.375 124.211 122.820 0.026 0.000 3.146 122 A HA 0.402 4.722 4.320 0.001 0.000 0.260 122 A C 0.362 177.965 177.584 0.031 0.000 2.029 122 A CA 1.635 53.686 52.037 0.024 0.000 1.552 122 A CB -1.823 17.188 19.000 0.019 0.000 0.824 122 A HN 1.334 nan 8.150 nan 0.000 0.602 123 D N -0.380 120.041 120.400 0.035 0.000 3.515 123 D HA -0.133 4.508 4.640 0.001 0.000 0.247 123 D C 0.622 176.957 176.300 0.057 0.000 1.084 123 D CA 1.229 55.254 54.000 0.042 0.000 1.030 123 D CB -1.159 39.665 40.800 0.041 0.000 0.946 123 D HN 0.720 nan 8.370 nan 0.000 0.420 124 S N 0.825 116.558 115.700 0.055 0.000 2.664 124 S HA 0.426 4.896 4.470 0.001 0.000 0.245 124 S C 0.640 175.274 174.600 0.056 0.000 1.019 124 S CA -0.615 57.622 58.200 0.063 0.000 0.996 124 S CB 0.618 63.857 63.200 0.065 0.000 0.878 124 S HN 0.514 nan 8.310 nan 0.000 0.493 125 I N 0.208 120.797 120.570 0.031 0.000 2.656 125 I HA 0.730 4.901 4.170 0.001 0.000 0.292 125 I C -1.852 174.230 176.117 -0.059 0.000 1.144 125 I CA -1.024 60.260 61.300 -0.027 0.000 1.038 125 I CB 2.130 40.102 38.000 -0.047 0.000 1.244 125 I HN 0.036 nan 8.210 nan 0.000 0.420 126 V N 6.970 126.817 119.914 -0.111 0.000 2.808 126 V HA 0.881 5.002 4.120 0.001 0.000 0.308 126 V C -0.578 175.410 176.094 -0.178 0.000 1.099 126 V CA -0.104 62.129 62.300 -0.111 0.000 0.920 126 V CB 1.931 33.714 31.823 -0.068 0.000 1.014 126 V HN 0.923 nan 8.190 nan 0.000 0.425 127 A N 5.268 127.990 122.820 -0.164 0.000 2.303 127 A HA 0.867 5.188 4.320 0.001 0.000 0.317 127 A C -0.913 176.591 177.584 -0.133 0.000 1.149 127 A CA -0.498 51.431 52.037 -0.181 0.000 0.822 127 A CB 1.570 20.464 19.000 -0.178 0.000 1.131 127 A HN 1.145 nan 8.150 nan 0.000 0.493 128 V N 2.642 122.476 119.914 -0.133 0.000 2.483 128 V HA 0.221 4.341 4.120 0.001 0.000 0.297 128 V C -0.206 175.836 176.094 -0.088 0.000 1.027 128 V CA -0.838 61.399 62.300 -0.105 0.000 0.855 128 V CB 1.682 33.435 31.823 -0.116 0.000 0.995 128 V HN 0.897 nan 8.190 nan 0.000 0.424 129 N N 4.034 122.694 118.700 -0.067 0.000 2.739 129 N HA 0.527 5.268 4.740 0.001 0.000 0.266 129 N C 0.164 175.646 175.510 -0.048 0.000 1.168 129 N CA 1.209 54.226 53.050 -0.054 0.000 1.055 129 N CB 0.345 38.807 38.487 -0.042 0.000 1.393 129 N HN 1.051 nan 8.380 nan 0.000 0.514 130 G N -0.437 108.332 108.800 -0.053 0.000 2.345 130 G HA2 0.357 4.318 3.960 0.001 0.000 0.285 130 G HA3 0.357 4.318 3.960 0.001 0.000 0.285 130 G C -0.361 174.505 174.900 -0.056 0.000 1.297 130 G CA -0.341 44.731 45.100 -0.047 0.000 0.875 130 G HN 0.538 nan 8.290 nan 0.000 0.506 131 G N -1.437 107.331 108.800 -0.053 0.000 2.606 131 G HA2 0.588 4.549 3.960 0.001 0.000 0.262 131 G HA3 0.588 4.549 3.960 0.001 0.000 0.262 131 G C 1.178 176.025 174.900 -0.089 0.000 1.394 131 G CA 0.269 45.332 45.100 -0.061 0.000 1.044 131 G HN 1.272 nan 8.290 nan 0.000 0.553 132 L N -0.324 120.836 121.223 -0.105 0.000 2.042 132 L HA -0.066 4.275 4.340 0.001 0.000 0.210 132 L C 2.617 179.383 176.870 -0.174 0.000 1.076 132 L CA 2.697 57.434 54.840 -0.171 0.000 0.749 132 L CB -0.514 41.418 42.059 -0.212 0.000 0.893 132 L HN 0.834 nan 8.230 nan 0.000 0.432 133 E N -1.103 119.030 120.200 -0.112 0.000 2.058 133 E HA -0.322 4.029 4.350 0.001 0.000 0.194 133 E C 2.104 178.659 176.600 -0.076 0.000 0.997 133 E CA 1.588 57.940 56.400 -0.080 0.000 0.801 133 E CB -0.041 29.639 29.700 -0.033 0.000 0.746 133 E HN 0.573 nan 8.360 nan 0.000 0.450 134 Q N 0.076 119.833 119.800 -0.071 0.000 2.119 134 Q HA -0.063 4.278 4.340 0.001 0.000 0.201 134 Q C 1.903 177.850 176.000 -0.088 0.000 0.972 134 Q CA 1.632 57.396 55.803 -0.065 0.000 0.847 134 Q CB -0.317 28.387 28.738 -0.057 0.000 0.903 134 Q HN 0.402 nan 8.270 nan 0.000 0.433 135 A N 0.163 122.911 122.820 -0.120 0.000 1.898 135 A HA -0.125 4.196 4.320 0.001 0.000 0.216 135 A C 1.984 179.474 177.584 -0.157 0.000 1.181 135 A CA 1.135 53.081 52.037 -0.153 0.000 0.620 135 A CB -0.661 18.236 19.000 -0.172 0.000 0.819 135 A HN 0.353 nan 8.150 nan 0.000 0.442 136 L N -0.925 120.203 121.223 -0.159 0.000 2.141 136 L HA -0.196 4.145 4.340 0.001 0.000 0.209 136 L C 2.828 179.652 176.870 -0.076 0.000 1.094 136 L CA 1.546 56.306 54.840 -0.134 0.000 0.763 136 L CB -0.502 41.462 42.059 -0.158 0.000 0.908 136 L HN 0.585 nan 8.230 nan 0.000 0.437 137 Q N 0.402 120.165 119.800 -0.062 0.000 2.046 137 Q HA -0.243 4.098 4.340 0.001 0.000 0.200 137 Q C 2.301 178.294 176.000 -0.013 0.000 0.975 137 Q CA 1.534 57.320 55.803 -0.028 0.000 0.836 137 Q CB -0.042 28.682 28.738 -0.023 0.000 0.896 137 Q HN 0.380 nan 8.270 nan 0.000 0.428 138 L N 0.461 121.663 121.223 -0.035 0.000 2.046 138 L HA -0.129 4.212 4.340 0.001 0.000 0.208 138 L C 1.924 178.808 176.870 0.024 0.000 1.077 138 L CA 1.574 56.410 54.840 -0.008 0.000 0.747 138 L CB -0.303 41.710 42.059 -0.077 0.000 0.896 138 L HN 0.283 nan 8.230 nan 0.000 0.432 139 L N -0.555 120.621 121.223 -0.078 0.000 2.376 139 L HA -0.040 4.301 4.340 0.001 0.000 0.219 139 L C 2.365 179.278 176.870 0.071 0.000 1.133 139 L CA 0.726 55.535 54.840 -0.052 0.000 0.816 139 L CB -0.620 41.364 42.059 -0.125 0.000 0.933 139 L HN 0.361 nan 8.230 nan 0.000 0.449 140 A N -1.247 121.599 122.820 0.044 0.000 2.169 140 A HA 0.058 4.378 4.320 0.001 0.000 0.212 140 A C 1.356 178.983 177.584 0.073 0.000 1.153 140 A CA 0.074 52.136 52.037 0.041 0.000 0.756 140 A CB -0.186 18.820 19.000 0.011 0.000 0.813 140 A HN 0.273 nan 8.150 nan 0.000 0.471 141 S N 1.275 117.045 115.700 0.117 0.000 2.566 141 S HA 0.177 4.648 4.470 0.001 0.000 0.280 141 S C -1.326 173.315 174.600 0.067 0.000 1.343 141 S CA -0.514 57.747 58.200 0.102 0.000 1.036 141 S CB 0.544 63.831 63.200 0.144 0.000 0.866 141 S HN 0.330 nan 8.310 nan 0.000 0.526 142 P HA -0.146 nan 4.420 nan 0.000 0.223 142 P C 0.992 178.259 177.300 -0.056 0.000 1.144 142 P CA 0.835 63.936 63.100 0.002 0.000 0.783 142 P CB -0.003 31.699 31.700 0.004 0.000 0.771 143 N N -1.090 117.530 118.700 -0.133 0.000 2.331 143 N HA -0.135 4.605 4.740 0.001 0.000 0.180 143 N C 0.877 176.107 175.510 -0.467 0.000 1.019 143 N CA 1.056 53.895 53.050 -0.352 0.000 0.881 143 N CB 0.044 38.205 38.487 -0.544 0.000 0.972 143 N HN 0.192 nan 8.380 nan 0.000 0.435 144 Y N -0.813 119.486 120.300 -0.002 0.000 2.430 144 Y HA 0.301 4.851 4.550 0.001 0.000 0.254 144 Y C 0.264 176.163 175.900 -0.003 0.000 1.088 144 Y CA -0.027 58.071 58.100 -0.003 0.000 1.267 144 Y CB 0.677 39.132 38.460 -0.009 0.000 1.204 144 Y HN -0.210 nan 8.280 nan 0.000 0.515 145 T N 3.916 118.540 114.554 0.116 0.000 2.786 145 T HA 0.275 4.626 4.350 0.001 0.000 0.283 145 T C -2.390 172.332 174.700 0.036 0.000 0.992 145 T CA -1.339 60.802 62.100 0.068 0.000 0.954 145 T CB 1.813 70.714 68.868 0.056 0.000 0.934 145 T HN -0.079 nan 8.240 nan 0.000 0.440 146 P HA 0.172 nan 4.420 nan 0.000 0.269 146 P C 1.201 178.525 177.300 0.039 0.000 1.478 146 P CA -0.218 62.902 63.100 0.032 0.000 1.045 146 P CB 0.077 31.790 31.700 0.020 0.000 1.512 147 S N -0.638 115.086 115.700 0.041 0.000 2.419 147 S HA -0.026 4.445 4.470 0.001 0.000 0.233 147 S C 1.068 175.707 174.600 0.064 0.000 1.016 147 S CA 0.483 58.708 58.200 0.042 0.000 0.974 147 S CB -0.754 62.461 63.200 0.024 0.000 0.786 147 S HN 0.005 nan 8.310 nan 0.000 0.492 148 I N 2.686 123.308 120.570 0.087 0.000 2.301 148 I HA 0.289 4.460 4.170 0.001 0.000 0.292 148 I C 1.415 177.561 176.117 0.049 0.000 1.046 148 I CA -0.180 61.167 61.300 0.078 0.000 1.282 148 I CB 0.880 38.936 38.000 0.093 0.000 1.409 148 I HN 0.418 nan 8.210 nan 0.000 0.484 149 E N 4.515 124.739 120.200 0.041 0.000 2.028 149 E HA -0.066 4.285 4.350 0.001 0.000 0.190 149 E C -0.218 176.386 176.600 0.007 0.000 0.984 149 E CA 1.076 57.494 56.400 0.031 0.000 0.800 149 E CB 0.462 30.183 29.700 0.034 0.000 0.758 149 E HN 0.615 nan 8.360 nan 0.000 0.448 150 T N 0.700 115.246 114.554 -0.013 0.000 2.881 150 T HA 0.408 4.758 4.350 0.001 0.000 0.290 150 T C -0.998 173.599 174.700 -0.171 0.000 1.000 150 T CA -0.731 61.288 62.100 -0.136 0.000 0.978 150 T CB 2.181 70.901 68.868 -0.246 0.000 0.997 150 T HN -0.120 nan 8.240 nan 0.000 0.443 151 V N 3.659 123.461 119.914 -0.186 0.000 2.407 151 V HA 0.395 4.516 4.120 0.001 0.000 0.278 151 V C -1.100 174.900 176.094 -0.156 0.000 1.037 151 V CA -0.633 61.620 62.300 -0.079 0.000 0.900 151 V CB 0.259 32.093 31.823 0.018 0.000 0.983 151 V HN 0.798 nan 8.190 nan 0.000 0.459 152 Y N 2.955 123.326 120.300 0.118 0.000 2.328 152 Y HA 0.395 4.946 4.550 0.001 0.000 0.336 152 Y C 0.439 176.448 175.900 0.182 0.000 0.960 152 Y CA -0.485 57.710 58.100 0.159 0.000 1.134 152 Y CB 1.581 40.072 38.460 0.052 0.000 1.166 152 Y HN 0.684 nan 8.280 nan 0.000 0.464 153 C N 6.953 126.511 119.300 0.430 0.000 2.566 153 C HA 0.398 4.859 4.460 0.001 0.000 0.393 153 C C 1.358 176.560 174.990 0.353 0.000 1.309 153 C CA -0.417 58.794 59.018 0.321 0.000 1.801 153 C CB -1.895 26.090 27.740 0.409 0.000 2.493 153 C HN 0.939 nan 8.230 nan 0.000 0.575 154 I N 4.258 124.956 120.570 0.213 0.000 4.147 154 I HA 0.590 4.761 4.170 0.001 0.000 0.329 154 I C 0.666 176.761 176.117 -0.037 0.000 1.424 154 I CA 0.456 61.906 61.300 0.249 0.000 1.127 154 I CB -0.356 37.874 38.000 0.383 0.000 1.128 154 I HN 0.963 nan 8.210 nan 0.000 0.417 155 G N 0.345 108.878 108.800 -0.445 0.000 2.479 155 G HA2 0.228 4.188 3.960 0.001 0.000 0.686 155 G HA3 0.228 4.188 3.960 0.001 0.000 0.686 155 G C -0.269 174.358 174.900 -0.455 0.000 1.295 155 G CA -0.555 44.007 45.100 -0.898 0.000 0.922 155 G HN 0.531 nan 8.290 nan 0.000 0.582 156 G N -0.948 107.621 108.800 -0.385 0.000 3.022 156 G HA2 0.642 4.603 3.960 0.001 0.000 0.157 156 G HA3 0.642 4.603 3.960 0.001 0.000 0.157 156 G C 1.631 176.273 174.900 -0.431 0.000 1.468 156 G CA 1.019 45.858 45.100 -0.435 0.000 1.058 156 G HN 1.897 nan 8.290 nan 0.000 0.581 157 G N 0.209 108.967 108.800 -0.071 0.000 2.491 157 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 157 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 157 G C 2.218 177.188 174.900 0.117 0.000 1.180 157 G CA 2.532 47.711 45.100 0.132 0.000 0.774 157 G HN 1.000 nan 8.290 nan 0.000 0.562 158 S N 0.201 115.923 115.700 0.037 0.000 2.399 158 S HA -0.080 4.391 4.470 0.001 0.000 0.231 158 S C 2.269 176.885 174.600 0.027 0.000 1.022 158 S CA 1.480 59.705 58.200 0.043 0.000 0.983 158 S CB -0.395 62.814 63.200 0.015 0.000 0.803 158 S HN 0.150 nan 8.310 nan 0.000 0.480 159 V N 0.356 120.235 119.914 -0.057 0.000 2.453 159 V HA -0.086 4.035 4.120 0.001 0.000 0.247 159 V C 2.330 178.447 176.094 0.038 0.000 1.048 159 V CA 1.379 63.632 62.300 -0.078 0.000 1.049 159 V CB -1.187 30.521 31.823 -0.190 0.000 0.672 159 V HN 0.393 nan 8.190 nan 0.000 0.457 160 Y N 1.171 121.527 120.300 0.094 0.000 2.145 160 Y HA -0.136 4.415 4.550 0.001 0.000 0.286 160 Y C 2.637 178.682 175.900 0.242 0.000 1.145 160 Y CA 0.875 59.079 58.100 0.172 0.000 1.148 160 Y CB -1.366 37.201 38.460 0.178 0.000 0.981 160 Y HN 0.191 nan 8.280 nan 0.000 0.507 161 A N -0.151 122.878 122.820 0.348 0.000 1.940 161 A HA -0.256 4.065 4.320 0.001 0.000 0.219 161 A C 2.231 179.923 177.584 0.180 0.000 1.176 161 A CA 1.919 54.099 52.037 0.238 0.000 0.631 161 A CB -0.741 18.363 19.000 0.174 0.000 0.814 161 A HN 0.533 nan 8.150 nan 0.000 0.446 162 E N -0.395 119.893 120.200 0.146 0.000 2.152 162 E HA -0.032 4.319 4.350 0.001 0.000 0.192 162 E C 2.028 178.711 176.600 0.139 0.000 0.983 162 E CA 0.767 57.228 56.400 0.102 0.000 0.818 162 E CB -0.199 29.526 29.700 0.043 0.000 0.758 162 E HN 0.563 nan 8.360 nan 0.000 0.467 163 A N 0.617 123.570 122.820 0.222 0.000 1.969 163 A HA -0.057 4.264 4.320 0.001 0.000 0.218 163 A C 1.942 179.743 177.584 0.362 0.000 1.169 163 A CA 0.679 52.937 52.037 0.369 0.000 0.635 163 A CB -0.268 19.053 19.000 0.534 0.000 0.810 163 A HN 0.289 nan 8.150 nan 0.000 0.445 164 L N -1.130 120.263 121.223 0.283 0.000 2.591 164 L HA 0.150 4.491 4.340 0.001 0.000 0.228 164 L C 1.177 178.130 176.870 0.138 0.000 1.133 164 L CA -0.010 54.958 54.840 0.214 0.000 0.880 164 L CB -0.143 42.017 42.059 0.167 0.000 1.033 164 L HN 0.269 nan 8.230 nan 0.000 0.450 165 R N 0.354 120.926 120.500 0.121 0.000 2.664 165 R HA 0.407 4.748 4.340 0.001 0.000 0.286 165 R C -2.537 173.781 176.300 0.030 0.000 0.967 165 R CA -1.894 54.248 56.100 0.070 0.000 0.933 165 R CB 1.911 32.257 30.300 0.077 0.000 1.146 165 R HN -0.240 nan 8.270 nan 0.000 0.468 166 P HA 0.088 nan 4.420 nan 0.000 0.271 166 P C -2.085 175.257 177.300 0.071 0.000 1.218 166 P CA -0.908 62.201 63.100 0.014 0.000 0.780 166 P CB 0.553 32.320 31.700 0.112 0.000 0.901 167 P HA 0.073 nan 4.420 nan 0.000 0.251 167 P C 0.431 177.817 177.300 0.143 0.000 1.223 167 P CA 0.418 63.607 63.100 0.150 0.000 0.796 167 P CB -0.130 31.652 31.700 0.137 0.000 1.068 168 C N -0.443 118.927 119.300 0.117 0.000 2.440 168 C HA -0.061 4.399 4.460 0.001 0.000 0.278 168 C C 2.796 177.981 174.990 0.326 0.000 1.295 168 C CA 0.486 59.630 59.018 0.209 0.000 1.738 168 C CB -1.593 26.227 27.740 0.134 0.000 1.987 168 C HN 0.133 nan 8.230 nan 0.000 0.492 169 V N 0.922 120.911 119.914 0.125 0.000 2.490 169 V HA -0.191 3.930 4.120 0.001 0.000 0.250 169 V C 2.317 178.431 176.094 0.033 0.000 1.061 169 V CA 1.925 64.279 62.300 0.090 0.000 1.064 169 V CB -0.737 31.087 31.823 0.002 0.000 0.670 169 V HN 0.621 nan 8.190 nan 0.000 0.461 170 H N -0.959 118.225 119.070 0.189 0.000 2.559 170 H HA 0.070 4.627 4.556 0.002 0.000 0.273 170 H C 1.457 176.884 175.328 0.165 0.000 1.000 170 H CA 0.849 56.979 56.048 0.137 0.000 1.195 170 H CB 0.161 29.995 29.762 0.120 0.000 1.368 170 H HN 0.383 nan 8.280 nan 0.000 0.592 171 L N 0.453 121.843 121.223 0.278 0.000 2.728 171 L HA 0.116 4.456 4.340 0.001 0.000 0.238 171 L C 0.179 177.059 176.870 0.018 0.000 1.143 171 L CA 0.002 54.990 54.840 0.247 0.000 0.937 171 L CB 0.425 42.664 42.059 0.300 0.000 1.225 171 L HN 0.005 nan 8.230 nan 0.000 0.507 172 L N 0.317 121.471 121.223 -0.115 0.000 2.325 172 L HA 0.197 4.537 4.340 0.001 0.000 0.284 172 L C 1.211 178.042 176.870 -0.064 0.000 1.089 172 L CA 0.726 55.306 54.840 -0.434 0.000 0.836 172 L CB 0.534 42.493 42.059 -0.165 0.000 1.184 172 L HN 0.191 nan 8.230 nan 0.000 0.444 173 Q N 4.275 124.008 119.800 -0.112 0.000 2.250 173 Q HA 0.370 4.710 4.340 0.001 0.000 0.200 173 Q C 0.096 176.144 176.000 0.081 0.000 0.941 173 Q CA 0.918 56.733 55.803 0.020 0.000 0.872 173 Q CB 0.371 29.128 28.738 0.031 0.000 0.965 173 Q HN 0.743 nan 8.270 nan 0.000 0.480 174 A N 0.230 123.099 122.820 0.083 0.000 2.604 174 A HA 0.657 4.978 4.320 0.001 0.000 0.295 174 A C -1.461 176.114 177.584 -0.016 0.000 1.067 174 A CA -0.648 51.417 52.037 0.047 0.000 0.683 174 A CB 1.096 20.036 19.000 -0.100 0.000 1.281 174 A HN 0.117 nan 8.150 nan 0.000 0.407 175 I N 1.466 121.957 120.570 -0.131 0.000 2.410 175 I HA 0.324 4.495 4.170 0.001 0.000 0.286 175 I C -1.474 174.546 176.117 -0.162 0.000 1.009 175 I CA -0.364 60.857 61.300 -0.132 0.000 1.111 175 I CB 1.535 39.371 38.000 -0.273 0.000 1.262 175 I HN 0.636 nan 8.210 nan 0.000 0.443 176 Y N 5.824 126.212 120.300 0.147 0.000 2.518 176 Y HA 0.424 4.975 4.550 0.001 0.000 0.344 176 Y C 0.360 176.370 175.900 0.182 0.000 0.982 176 Y CA -0.459 57.777 58.100 0.226 0.000 1.234 176 Y CB 0.727 39.401 38.460 0.357 0.000 1.114 176 Y HN 0.436 nan 8.280 nan 0.000 0.515 177 R N 2.052 122.688 120.500 0.227 0.000 2.343 177 R HA 0.459 4.799 4.340 0.001 0.000 0.320 177 R C -0.966 175.402 176.300 0.113 0.000 0.956 177 R CA -0.385 55.798 56.100 0.138 0.000 0.836 177 R CB 0.813 31.164 30.300 0.085 0.000 1.151 177 R HN 0.515 nan 8.270 nan 0.000 0.450 178 T N 3.164 117.775 114.554 0.094 0.000 2.806 178 T HA 0.219 4.570 4.350 0.001 0.000 0.290 178 T C -0.351 174.188 174.700 -0.269 0.000 0.966 178 T CA -0.173 61.891 62.100 -0.060 0.000 1.060 178 T CB 1.481 70.386 68.868 0.061 0.000 0.927 178 T HN 0.456 nan 8.240 nan 0.000 0.485 179 T N 4.797 118.994 114.554 -0.596 0.000 2.758 179 T HA 0.417 4.768 4.350 0.001 0.000 0.285 179 T C 0.053 174.357 174.700 -0.659 0.000 0.981 179 T CA -0.681 60.998 62.100 -0.702 0.000 0.965 179 T CB 0.342 68.582 68.868 -1.046 0.000 0.927 179 T HN 0.325 nan 8.240 nan 0.000 0.448 180 I N 3.572 123.770 120.570 -0.620 0.000 2.315 180 I HA 0.278 4.449 4.170 0.001 0.000 0.291 180 I C 0.949 176.802 176.117 -0.440 0.000 1.006 180 I CA -0.608 60.314 61.300 -0.630 0.000 1.265 180 I CB 0.868 38.137 38.000 -1.219 0.000 1.387 180 I HN 0.468 nan 8.210 nan 0.000 0.475 181 R N 5.108 125.459 120.500 -0.248 0.000 3.247 181 R HA 0.526 4.866 4.340 0.001 0.000 0.212 181 R C -0.172 176.058 176.300 -0.117 0.000 1.604 181 R CA -0.087 55.934 56.100 -0.130 0.000 1.279 181 R CB 0.111 30.387 30.300 -0.039 0.000 1.277 181 R HN 0.750 nan 8.270 nan 0.000 0.669 182 A N 0.335 123.069 122.820 -0.144 0.000 2.593 182 A HA 0.574 4.895 4.320 0.001 0.000 0.290 182 A C -0.932 176.628 177.584 -0.040 0.000 1.126 182 A CA -0.560 51.431 52.037 -0.078 0.000 0.695 182 A CB 2.343 21.298 19.000 -0.076 0.000 1.290 182 A HN 0.237 nan 8.150 nan 0.000 0.414 183 S N 0.816 116.524 115.700 0.014 0.000 2.652 183 S HA 0.372 4.843 4.470 0.001 0.000 0.252 183 S C -1.324 173.321 174.600 0.075 0.000 1.219 183 S CA -0.383 57.845 58.200 0.047 0.000 1.151 183 S CB 0.269 63.493 63.200 0.040 0.000 1.080 183 S HN 0.512 nan 8.310 nan 0.000 0.481 184 E N 2.405 122.671 120.200 0.110 0.000 2.044 184 E HA 0.143 4.494 4.350 0.001 0.000 0.282 184 E C 1.071 177.730 176.600 0.099 0.000 1.031 184 E CA -0.179 56.289 56.400 0.113 0.000 0.824 184 E CB 1.247 31.044 29.700 0.163 0.000 1.076 184 E HN 0.698 nan 8.360 nan 0.000 0.395 185 S N 1.453 117.202 115.700 0.082 0.000 2.469 185 S HA -0.180 4.291 4.470 0.001 0.000 0.238 185 S C 1.861 176.503 174.600 0.069 0.000 0.998 185 S CA 1.112 59.362 58.200 0.083 0.000 0.957 185 S CB 0.084 63.322 63.200 0.063 0.000 0.764 185 S HN 0.342 nan 8.310 nan 0.000 0.514 186 S N 0.205 115.933 115.700 0.047 0.000 2.419 186 S HA -0.016 4.455 4.470 0.001 0.000 0.233 186 S C 0.920 175.512 174.600 -0.014 0.000 1.016 186 S CA 0.322 58.532 58.200 0.016 0.000 0.974 186 S CB -1.024 62.177 63.200 0.001 0.000 0.786 186 S HN 0.700 nan 8.310 nan 0.000 0.492 187 C N 2.671 121.957 119.300 -0.023 0.000 2.648 187 C HA 0.392 4.853 4.460 0.001 0.000 0.419 187 C C 1.739 176.618 174.990 -0.186 0.000 1.352 187 C CA 0.308 59.225 59.018 -0.169 0.000 1.816 187 C CB 0.296 27.888 27.740 -0.248 0.000 2.598 187 C HN 0.713 nan 8.230 nan 0.000 0.598 188 S N 1.202 116.753 115.700 -0.247 0.000 2.728 188 S HA 0.221 4.692 4.470 0.001 0.000 0.257 188 S C -0.250 174.329 174.600 -0.036 0.000 1.060 188 S CA -0.123 58.070 58.200 -0.011 0.000 1.126 188 S CB -0.022 63.208 63.200 0.050 0.000 1.099 188 S HN 0.467 nan 8.310 nan 0.000 0.617 189 V N 2.238 121.950 119.914 -0.337 0.000 2.628 189 V HA 0.700 4.821 4.120 0.001 0.000 0.306 189 V C -1.232 174.623 176.094 -0.400 0.000 1.045 189 V CA -0.673 61.541 62.300 -0.143 0.000 0.905 189 V CB 1.257 33.060 31.823 -0.033 0.000 0.997 189 V HN 0.394 nan 8.190 nan 0.000 0.436 190 F N 3.327 123.364 119.950 0.145 0.000 2.576 190 F HA 0.691 5.219 4.527 0.001 0.000 0.313 190 F C -0.762 175.173 175.800 0.226 0.000 1.078 190 F CA -0.701 57.393 58.000 0.156 0.000 0.921 190 F CB 2.162 41.217 39.000 0.091 0.000 1.232 190 F HN 0.438 nan 8.300 nan 0.000 0.459 191 F N 2.837 122.908 119.950 0.201 0.000 2.539 191 F HA 0.738 5.265 4.527 0.001 0.000 0.318 191 F C -1.072 174.746 175.800 0.031 0.000 1.135 191 F CA -0.676 57.364 58.000 0.066 0.000 0.915 191 F CB 1.304 40.239 39.000 -0.108 0.000 1.176 191 F HN 0.436 nan 8.300 nan 0.000 0.440 192 R N 4.806 124.853 120.500 -0.755 0.000 2.538 192 R HA 0.554 4.895 4.340 0.001 0.000 0.292 192 R C -1.661 174.166 176.300 -0.789 0.000 1.008 192 R CA -1.063 54.684 56.100 -0.588 0.000 0.896 192 R CB 2.410 32.563 30.300 -0.244 0.000 1.187 192 R HN 0.460 nan 8.270 nan 0.000 0.440 193 V N 5.022 124.558 119.914 -0.630 0.000 2.427 193 V HA 0.181 4.302 4.120 0.001 0.000 0.268 193 V C -1.852 174.096 176.094 -0.244 0.000 1.046 193 V CA -1.486 60.509 62.300 -0.508 0.000 0.970 193 V CB 0.633 32.192 31.823 -0.440 0.000 1.001 193 V HN 0.631 nan 8.190 nan 0.000 0.476 194 P HA 0.202 nan 4.420 nan 0.000 0.268 194 P C -0.030 177.325 177.300 0.091 0.000 1.204 194 P CA -0.193 62.906 63.100 -0.002 0.000 0.768 194 P CB 0.564 32.301 31.700 0.062 0.000 0.842 195 E N 0.510 120.744 120.200 0.056 0.000 2.392 195 E HA 0.140 4.491 4.350 0.001 0.000 0.259 195 E C 0.296 176.948 176.600 0.087 0.000 1.108 195 E CA -0.384 56.060 56.400 0.073 0.000 0.916 195 E CB 0.367 30.088 29.700 0.035 0.000 0.989 195 E HN 0.343 nan 8.360 nan 0.000 0.432 196 S N 0.695 116.442 115.700 0.078 0.000 2.563 196 S HA 0.148 4.618 4.470 0.001 0.000 0.294 196 S C 1.153 175.772 174.600 0.032 0.000 1.279 196 S CA 0.917 59.147 58.200 0.050 0.000 1.069 196 S CB -0.284 62.935 63.200 0.032 0.000 0.828 196 S HN 0.787 nan 8.310 nan 0.000 0.497 197 G N 3.098 111.914 108.800 0.026 0.000 2.234 197 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 197 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 197 G C 0.350 175.264 174.900 0.024 0.000 0.987 197 G CA 0.690 45.801 45.100 0.018 0.000 0.625 197 G HN 1.540 nan 8.290 nan 0.000 0.532 198 T N -1.574 112.999 114.554 0.033 0.000 2.868 198 T HA 0.571 4.922 4.350 0.001 0.000 0.292 198 T C 1.144 175.867 174.700 0.037 0.000 1.028 198 T CA 0.616 62.734 62.100 0.030 0.000 1.059 198 T CB 1.699 70.584 68.868 0.028 0.000 0.991 198 T HN 0.300 nan 8.240 nan 0.000 0.531 199 E N 1.226 121.445 120.200 0.032 0.000 2.085 199 E HA -0.173 4.178 4.350 0.001 0.000 0.194 199 E C 2.397 179.025 176.600 0.047 0.000 0.994 199 E CA 1.304 57.726 56.400 0.037 0.000 0.801 199 E CB -0.429 29.288 29.700 0.029 0.000 0.743 199 E HN 0.860 nan 8.360 nan 0.000 0.453 200 A N 0.995 123.840 122.820 0.043 0.000 2.125 200 A HA -0.040 4.281 4.320 0.001 0.000 0.219 200 A C 2.229 179.859 177.584 0.077 0.000 1.156 200 A CA 1.349 53.415 52.037 0.048 0.000 0.671 200 A CB -0.328 18.688 19.000 0.026 0.000 0.794 200 A HN 0.282 nan 8.150 nan 0.000 0.459 201 A N -1.323 121.551 122.820 0.090 0.000 2.119 201 A HA 0.413 4.734 4.320 0.001 0.000 0.216 201 A C 1.637 179.294 177.584 0.123 0.000 1.152 201 A CA 1.208 53.327 52.037 0.138 0.000 0.708 201 A CB -0.820 18.256 19.000 0.126 0.000 0.805 201 A HN 1.979 nan 8.150 nan 0.000 0.460 202 A N -2.381 120.500 122.820 0.102 0.000 2.783 202 A HA 0.147 4.468 4.320 0.001 0.000 0.292 202 A C 1.946 179.622 177.584 0.154 0.000 1.495 202 A CA 1.483 53.597 52.037 0.130 0.000 0.787 202 A CB -1.988 17.083 19.000 0.119 0.000 1.017 202 A HN 2.514 nan 8.150 nan 0.000 0.516 203 G N -2.718 106.133 108.800 0.084 0.000 2.179 203 G HA2 -0.240 3.721 3.960 0.001 0.000 0.260 203 G HA3 -0.240 3.721 3.960 0.001 0.000 0.260 203 G C 0.167 175.063 174.900 -0.007 0.000 0.977 203 G CA 0.469 45.595 45.100 0.043 0.000 0.641 203 G HN 1.480 nan 8.290 nan 0.000 0.533 204 I N 1.130 121.682 120.570 -0.029 0.000 2.440 204 I HA 0.389 4.560 4.170 0.001 0.000 0.294 204 I C 0.226 176.197 176.117 -0.242 0.000 0.995 204 I CA -0.420 60.755 61.300 -0.208 0.000 1.306 204 I CB 1.226 39.021 38.000 -0.342 0.000 1.407 204 I HN 0.085 nan 8.210 nan 0.000 0.501 205 E N 5.603 125.612 120.200 -0.318 0.000 2.183 205 E HA 0.181 4.531 4.350 0.001 0.000 0.250 205 E C -1.563 174.902 176.600 -0.225 0.000 0.901 205 E CA -0.496 55.793 56.400 -0.184 0.000 0.741 205 E CB 0.701 30.336 29.700 -0.107 0.000 1.182 205 E HN 0.402 nan 8.360 nan 0.000 0.425 206 W N 2.477 123.775 121.300 -0.003 0.000 2.253 206 W HA 0.095 4.756 4.660 0.002 0.000 0.322 206 W C 0.673 177.189 176.519 -0.004 0.000 1.342 206 W CA -0.100 57.242 57.345 -0.005 0.000 1.218 206 W CB 0.671 30.129 29.460 -0.004 0.000 1.205 206 W HN 0.235 nan 8.180 nan 0.000 0.551 207 Q N 2.610 122.561 119.800 0.251 0.000 2.372 207 Q HA 0.319 4.659 4.340 0.001 0.000 0.273 207 Q C -0.598 175.491 176.000 0.148 0.000 1.078 207 Q CA -1.452 54.438 55.803 0.144 0.000 0.806 207 Q CB 2.638 31.418 28.738 0.070 0.000 1.332 207 Q HN 0.428 nan 8.270 nan 0.000 0.435 208 R N 1.976 122.540 120.500 0.107 0.000 2.351 208 R HA -0.032 4.308 4.340 0.001 0.000 0.318 208 R C 0.875 177.225 176.300 0.083 0.000 1.055 208 R CA 0.408 56.561 56.100 0.089 0.000 0.968 208 R CB 0.455 30.796 30.300 0.068 0.000 0.974 208 R HN 0.781 nan 8.270 nan 0.000 0.439 209 E N 2.398 122.651 120.200 0.088 0.000 2.042 209 E HA -0.055 4.295 4.350 0.001 0.000 0.189 209 E C -0.166 176.494 176.600 0.100 0.000 0.974 209 E CA 1.208 57.670 56.400 0.103 0.000 0.806 209 E CB 0.330 30.096 29.700 0.110 0.000 0.769 209 E HN 0.726 nan 8.360 nan 0.000 0.451 210 T N -1.357 113.253 114.554 0.094 0.000 2.906 210 T HA 0.631 4.982 4.350 0.001 0.000 0.295 210 T C -0.483 174.274 174.700 0.095 0.000 1.075 210 T CA -0.907 61.251 62.100 0.096 0.000 1.005 210 T CB 2.030 70.966 68.868 0.115 0.000 1.136 210 T HN 0.159 nan 8.240 nan 0.000 0.498 211 I N 1.900 122.521 120.570 0.083 0.000 2.607 211 I HA 0.505 4.675 4.170 0.001 0.000 0.290 211 I C 0.015 176.177 176.117 0.075 0.000 1.129 211 I CA -0.586 60.767 61.300 0.088 0.000 1.042 211 I CB 2.152 40.172 38.000 0.034 0.000 1.242 211 I HN 1.069 nan 8.210 nan 0.000 0.421 212 S N 5.095 120.867 115.700 0.119 0.000 2.614 212 S HA 0.305 4.775 4.470 0.001 0.000 0.265 212 S C -0.010 174.587 174.600 -0.005 0.000 1.303 212 S CA -0.582 57.674 58.200 0.093 0.000 1.000 212 S CB 0.982 64.297 63.200 0.191 0.000 0.935 212 S HN 0.743 nan 8.310 nan 0.000 0.551 213 E N 0.158 120.339 120.200 -0.031 0.000 2.392 213 E HA 0.135 4.486 4.350 0.001 0.000 0.256 213 E C -0.328 176.187 176.600 -0.142 0.000 1.145 213 E CA -0.634 55.714 56.400 -0.087 0.000 0.929 213 E CB 0.327 29.988 29.700 -0.066 0.000 0.998 213 E HN 0.742 nan 8.360 nan 0.000 0.442 214 E N 1.431 121.528 120.200 -0.171 0.000 2.299 214 E HA 0.147 4.498 4.350 0.001 0.000 0.272 214 E C -0.955 175.495 176.600 -0.249 0.000 1.043 214 E CA -0.139 56.143 56.400 -0.197 0.000 0.895 214 E CB 0.443 30.047 29.700 -0.161 0.000 1.011 214 E HN 0.350 nan 8.360 nan 0.000 0.432 215 L N 2.997 123.942 121.223 -0.464 0.000 2.322 215 L HA 0.485 4.826 4.340 0.001 0.000 0.269 215 L C -0.124 176.508 176.870 -0.396 0.000 1.012 215 L CA -0.847 53.682 54.840 -0.518 0.000 0.815 215 L CB 2.275 43.833 42.059 -0.835 0.000 1.295 215 L HN 0.438 nan 8.230 nan 0.000 0.438 216 T N 0.092 114.588 114.554 -0.096 0.000 2.797 216 T HA 0.254 4.605 4.350 0.001 0.000 0.279 216 T C -0.213 174.645 174.700 0.262 0.000 0.991 216 T CA -0.421 61.727 62.100 0.078 0.000 0.979 216 T CB 1.566 70.455 68.868 0.035 0.000 0.943 216 T HN 0.516 nan 8.240 nan 0.000 0.444 217 S N 1.927 117.800 115.700 0.288 0.000 2.548 217 S HA 0.456 4.927 4.470 0.001 0.000 0.277 217 S C 0.622 175.271 174.600 0.083 0.000 1.315 217 S CA -0.817 57.478 58.200 0.159 0.000 1.050 217 S CB 0.146 63.346 63.200 0.001 0.000 0.918 217 S HN 0.831 nan 8.310 nan 0.000 0.497 218 A N 4.688 127.546 122.820 0.062 0.000 3.056 218 A HA 0.278 4.599 4.320 0.001 0.000 0.274 218 A C 0.762 178.359 177.584 0.022 0.000 1.661 218 A CA -0.569 51.492 52.037 0.042 0.000 1.363 218 A CB -0.831 18.195 19.000 0.043 0.000 1.139 218 A HN 0.867 nan 8.150 nan 0.000 0.598 219 N N 0.067 118.778 118.700 0.019 0.000 2.160 219 N HA 0.221 4.961 4.740 0.001 0.000 0.226 219 N C 0.881 176.401 175.510 0.017 0.000 1.256 219 N CA 0.636 53.694 53.050 0.013 0.000 0.890 219 N CB 0.208 38.700 38.487 0.008 0.000 1.116 219 N HN 0.870 nan 8.380 nan 0.000 0.517 220 G N 0.853 109.664 108.800 0.019 0.000 2.225 220 G HA2 -0.297 3.664 3.960 0.001 0.000 0.254 220 G HA3 -0.297 3.664 3.960 0.001 0.000 0.254 220 G C 0.491 175.402 174.900 0.018 0.000 0.988 220 G CA 0.327 45.437 45.100 0.017 0.000 0.625 220 G HN 0.427 nan 8.290 nan 0.000 0.527 221 N N 0.915 119.628 118.700 0.020 0.000 2.187 221 N HA 0.288 5.029 4.740 0.001 0.000 0.212 221 N C 0.554 176.076 175.510 0.020 0.000 1.152 221 N CA 0.646 53.708 53.050 0.020 0.000 0.872 221 N CB 0.419 38.920 38.487 0.024 0.000 1.025 221 N HN 0.522 nan 8.380 nan 0.000 0.514 222 E N -0.019 120.195 120.200 0.024 0.000 2.403 222 E HA -0.165 4.186 4.350 0.001 0.000 0.241 222 E C -0.743 175.875 176.600 0.030 0.000 1.201 222 E CA 0.667 57.084 56.400 0.028 0.000 0.721 222 E CB -2.199 27.512 29.700 0.019 0.000 1.245 222 E HN 0.210 nan 8.360 nan 0.000 0.392 223 T N 0.910 115.483 114.554 0.032 0.000 2.902 223 T HA 0.129 4.480 4.350 0.001 0.000 0.301 223 T C 0.623 175.364 174.700 0.068 0.000 1.012 223 T CA -0.080 62.033 62.100 0.022 0.000 1.151 223 T CB 0.742 69.606 68.868 -0.007 0.000 0.946 223 T HN 0.069 nan 8.240 nan 0.000 0.542 224 K N 2.239 122.658 120.400 0.032 0.000 2.118 224 K HA 0.539 4.859 4.320 0.001 0.000 0.267 224 K C -0.720 175.907 176.600 0.045 0.000 0.991 224 K CA -0.721 55.584 56.287 0.029 0.000 0.916 224 K CB 0.983 33.473 32.500 -0.016 0.000 1.041 224 K HN 0.768 nan 8.250 nan 0.000 0.455 225 Y N -0.363 119.842 120.300 -0.158 0.000 2.656 225 Y HA 0.542 5.093 4.550 0.001 0.000 0.334 225 Y C -1.637 174.108 175.900 -0.258 0.000 1.179 225 Y CA -1.569 56.343 58.100 -0.313 0.000 1.050 225 Y CB 0.831 39.039 38.460 -0.420 0.000 1.308 225 Y HN 0.638 nan 8.280 nan 0.000 0.456 226 Y N -0.576 119.444 120.300 -0.467 0.000 2.638 226 Y HA 0.834 5.385 4.550 0.001 0.000 0.335 226 Y C -2.298 173.275 175.900 -0.546 0.000 1.155 226 Y CA -2.478 55.282 58.100 -0.566 0.000 1.046 226 Y CB 1.213 39.482 38.460 -0.318 0.000 1.303 226 Y HN 0.526 nan 8.280 nan 0.000 0.460 227 F N 1.127 121.098 119.950 0.034 0.000 2.492 227 F HA 0.623 5.151 4.527 0.001 0.000 0.327 227 F C -0.176 175.658 175.800 0.056 0.000 1.079 227 F CA -0.878 57.072 58.000 -0.082 0.000 0.967 227 F CB 2.054 40.870 39.000 -0.305 0.000 1.169 227 F HN 0.631 nan 8.300 nan 0.000 0.472 228 E N 0.964 121.307 120.200 0.238 0.000 2.340 228 E HA 0.405 4.756 4.350 0.001 0.000 0.273 228 E C -1.688 174.993 176.600 0.135 0.000 0.891 228 E CA -1.288 55.222 56.400 0.185 0.000 0.757 228 E CB 2.926 32.730 29.700 0.173 0.000 1.231 228 E HN 0.528 nan 8.360 nan 0.000 0.439 229 K N 3.564 124.014 120.400 0.083 0.000 2.265 229 K HA 0.386 4.707 4.320 0.001 0.000 0.267 229 K C -1.129 175.456 176.600 -0.025 0.000 0.994 229 K CA -0.571 55.681 56.287 -0.059 0.000 0.860 229 K CB 0.826 33.275 32.500 -0.085 0.000 1.099 229 K HN 0.548 nan 8.250 nan 0.000 0.448 230 L N 6.394 127.591 121.223 -0.044 0.000 2.325 230 L HA 0.615 4.956 4.340 0.001 0.000 0.278 230 L C -0.032 176.962 176.870 0.208 0.000 1.023 230 L CA -1.145 53.751 54.840 0.094 0.000 0.811 230 L CB 1.395 43.494 42.059 0.067 0.000 1.249 230 L HN 0.597 nan 8.230 nan 0.000 0.431 231 I N -0.088 120.671 120.570 0.315 0.000 2.769 231 I HA 0.596 4.767 4.170 0.001 0.000 0.298 231 I C -2.760 173.404 176.117 0.078 0.000 1.128 231 I CA -2.514 58.934 61.300 0.247 0.000 1.031 231 I CB 2.482 40.529 38.000 0.078 0.000 1.235 231 I HN 0.258 nan 8.210 nan 0.000 0.423 232 P HA 0.181 nan 4.420 nan 0.000 0.282 232 P C -0.726 176.370 177.300 -0.341 0.000 1.262 232 P CA -0.272 62.410 63.100 -0.697 0.000 0.773 232 P CB 0.868 32.067 31.700 -0.834 0.000 0.879 233 R N 3.551 123.879 120.500 -0.286 0.000 2.486 233 R HA -0.029 4.311 4.340 0.001 0.000 0.303 233 R C 0.373 176.559 176.300 -0.191 0.000 0.958 233 R CA 0.155 56.150 56.100 -0.175 0.000 1.077 233 R CB -0.223 29.997 30.300 -0.133 0.000 0.921 233 R HN 0.376 nan 8.270 nan 0.000 0.406 234 N N 4.485 123.075 118.700 -0.182 0.000 2.918 234 N HA 0.041 4.782 4.740 0.001 0.000 0.247 234 N C 0.484 175.900 175.510 -0.157 0.000 1.117 234 N CA -0.136 52.768 53.050 -0.243 0.000 1.005 234 N CB 0.483 38.740 38.487 -0.383 0.000 1.297 234 N HN 0.515 nan 8.380 nan 0.000 0.513 235 R N 1.610 122.038 120.500 -0.121 0.000 2.105 235 R HA -0.124 4.217 4.340 0.001 0.000 0.239 235 R C 1.021 177.286 176.300 -0.058 0.000 1.135 235 R CA 1.206 57.258 56.100 -0.080 0.000 0.967 235 R CB 0.099 30.352 30.300 -0.079 0.000 0.861 235 R HN 0.648 nan 8.270 nan 0.000 0.442 236 E N 0.407 120.578 120.200 -0.050 0.000 2.051 236 E HA -0.206 4.145 4.350 0.001 0.000 0.192 236 E C 1.935 178.655 176.600 0.200 0.000 0.991 236 E CA 1.019 57.426 56.400 0.013 0.000 0.799 236 E CB -0.085 29.740 29.700 0.208 0.000 0.748 236 E HN 0.407 nan 8.360 nan 0.000 0.449 237 E N 0.940 121.268 120.200 0.214 0.000 2.150 237 E HA -0.206 4.144 4.350 0.001 0.000 0.193 237 E C 1.706 178.451 176.600 0.241 0.000 0.985 237 E CA 0.838 57.422 56.400 0.307 0.000 0.814 237 E CB 0.146 29.936 29.700 0.150 0.000 0.752 237 E HN 0.243 nan 8.360 nan 0.000 0.466 238 E N 0.114 120.375 120.200 0.101 0.000 2.204 238 E HA -0.205 4.146 4.350 0.001 0.000 0.194 238 E C 2.115 178.749 176.600 0.057 0.000 0.989 238 E CA 0.794 57.233 56.400 0.064 0.000 0.824 238 E CB 0.039 29.742 29.700 0.004 0.000 0.756 238 E HN 0.377 nan 8.360 nan 0.000 0.477 239 Q N -0.158 119.673 119.800 0.052 0.000 2.077 239 Q HA -0.245 4.096 4.340 0.001 0.000 0.206 239 Q C 2.004 178.051 176.000 0.078 0.000 0.989 239 Q CA 1.922 57.737 55.803 0.020 0.000 0.853 239 Q CB -0.357 28.355 28.738 -0.043 0.000 0.907 239 Q HN 0.406 nan 8.270 nan 0.000 0.418 240 Y N 1.188 121.531 120.300 0.071 0.000 2.145 240 Y HA -0.202 4.349 4.550 0.001 0.000 0.286 240 Y C 1.805 177.735 175.900 0.051 0.000 1.145 240 Y CA 1.422 59.580 58.100 0.097 0.000 1.148 240 Y CB -0.228 38.352 38.460 0.200 0.000 0.981 240 Y HN -0.009 nan 8.280 nan 0.000 0.507 241 L N -0.645 120.570 121.223 -0.014 0.000 2.083 241 L HA -0.218 4.123 4.340 0.001 0.000 0.209 241 L C 2.513 179.300 176.870 -0.139 0.000 1.083 241 L CA 1.469 56.232 54.840 -0.128 0.000 0.752 241 L CB -0.812 41.267 42.059 0.032 0.000 0.899 241 L HN 0.174 nan 8.230 nan 0.000 0.433 242 S N 0.222 115.874 115.700 -0.080 0.000 2.368 242 S HA -0.177 4.294 4.470 0.001 0.000 0.225 242 S C 1.865 176.402 174.600 -0.106 0.000 1.030 242 S CA 1.219 59.373 58.200 -0.076 0.000 0.999 242 S CB -0.344 62.824 63.200 -0.053 0.000 0.844 242 S HN 0.228 nan 8.310 nan 0.000 0.459 243 L N 2.011 123.153 121.223 -0.134 0.000 2.017 243 L HA -0.032 4.309 4.340 0.001 0.000 0.208 243 L C 2.219 178.980 176.870 -0.181 0.000 1.073 243 L CA 1.553 56.303 54.840 -0.149 0.000 0.745 243 L CB -0.894 41.076 42.059 -0.148 0.000 0.894 243 L HN 0.133 nan 8.230 nan 0.000 0.432 244 V N -0.076 119.672 119.914 -0.277 0.000 2.287 244 V HA -0.331 3.790 4.120 0.001 0.000 0.248 244 V C 2.369 178.378 176.094 -0.142 0.000 1.053 244 V CA 2.068 64.219 62.300 -0.249 0.000 1.027 244 V CB -0.814 30.797 31.823 -0.353 0.000 0.646 244 V HN 0.560 nan 8.190 nan 0.000 0.447 245 D N -0.234 120.091 120.400 -0.125 0.000 2.117 245 D HA -0.223 4.417 4.640 0.001 0.000 0.197 245 D C 2.348 178.609 176.300 -0.064 0.000 0.987 245 D CA 1.433 55.386 54.000 -0.078 0.000 0.829 245 D CB -0.165 40.595 40.800 -0.067 0.000 0.961 245 D HN 0.257 nan 8.370 nan 0.000 0.460 246 R N -0.327 120.130 120.500 -0.071 0.000 2.092 246 R HA -0.030 4.311 4.340 0.001 0.000 0.231 246 R C 2.354 178.623 176.300 -0.051 0.000 1.119 246 R CA 0.925 56.991 56.100 -0.057 0.000 0.970 246 R CB -0.195 30.070 30.300 -0.059 0.000 0.864 246 R HN 0.294 nan 8.270 nan 0.000 0.440 247 I N 0.356 120.888 120.570 -0.063 0.000 2.226 247 I HA -0.297 3.874 4.170 0.001 0.000 0.245 247 I C 2.067 178.160 176.117 -0.039 0.000 1.100 247 I CA 1.315 62.584 61.300 -0.052 0.000 1.374 247 I CB -0.132 37.828 38.000 -0.066 0.000 1.057 247 I HN 0.193 nan 8.210 nan 0.000 0.413 248 I N 0.160 120.706 120.570 -0.040 0.000 2.252 248 I HA -0.248 3.922 4.170 0.001 0.000 0.245 248 I C 2.649 178.753 176.117 -0.022 0.000 1.102 248 I CA 1.327 62.612 61.300 -0.026 0.000 1.385 248 I CB -0.370 37.617 38.000 -0.022 0.000 1.064 248 I HN 0.129 nan 8.210 nan 0.000 0.414 249 R N 0.404 120.889 120.500 -0.026 0.000 2.090 249 R HA -0.063 4.278 4.340 0.001 0.000 0.228 249 R C 1.412 177.701 176.300 -0.019 0.000 1.110 249 R CA 1.176 57.264 56.100 -0.021 0.000 0.973 249 R CB 0.029 30.315 30.300 -0.024 0.000 0.869 249 R HN 0.417 nan 8.270 nan 0.000 0.440 250 E N -1.061 119.126 120.200 -0.022 0.000 2.639 250 E HA 0.123 4.474 4.350 0.001 0.000 0.225 250 E C 0.203 176.794 176.600 -0.016 0.000 0.921 250 E CA -0.295 56.094 56.400 -0.018 0.000 1.184 250 E CB 1.243 30.932 29.700 -0.018 0.000 1.160 250 E HN 0.199 nan 8.360 nan 0.000 0.547 251 G N 1.632 110.420 108.800 -0.020 0.000 2.491 251 G HA2 0.015 3.976 3.960 0.001 0.000 0.238 251 G HA3 0.015 3.976 3.960 0.001 0.000 0.238 251 G C 0.010 174.897 174.900 -0.022 0.000 1.277 251 G CA -0.365 44.724 45.100 -0.018 0.000 0.851 251 G HN 0.027 nan 8.290 nan 0.000 0.573 252 N N 0.092 118.779 118.700 -0.021 0.000 2.529 252 N HA 0.126 4.867 4.740 0.001 0.000 0.278 252 N C 0.059 175.536 175.510 -0.055 0.000 1.146 252 N CA -0.443 52.589 53.050 -0.030 0.000 0.980 252 N CB 2.024 40.496 38.487 -0.025 0.000 1.124 252 N HN 0.148 nan 8.380 nan 0.000 0.458 253 V N 2.476 122.352 119.914 -0.062 0.000 2.521 253 V HA 0.075 4.195 4.120 0.001 0.000 0.286 253 V C 0.543 176.549 176.094 -0.147 0.000 1.034 253 V CA 0.369 62.599 62.300 -0.116 0.000 1.045 253 V CB -0.221 31.550 31.823 -0.086 0.000 0.974 253 V HN 0.578 nan 8.190 nan 0.000 0.480 254 K N 3.330 123.578 120.400 -0.253 0.000 2.480 254 K HA 0.688 5.008 4.320 0.001 0.000 0.258 254 K C -1.500 174.839 176.600 -0.435 0.000 0.990 254 K CA -1.073 55.079 56.287 -0.225 0.000 0.857 254 K CB 2.273 34.685 32.500 -0.147 0.000 1.384 254 K HN 0.718 nan 8.250 nan 0.000 0.446 255 H N 0.323 119.366 119.070 -0.045 0.000 2.589 255 H HA 0.143 4.699 4.556 0.001 0.000 0.351 255 H C -0.827 174.482 175.328 -0.031 0.000 1.074 255 H CA -0.850 55.182 56.048 -0.026 0.000 1.203 255 H CB 1.337 31.096 29.762 -0.005 0.000 1.558 255 H HN 0.643 nan 8.280 nan 0.000 0.522 256 D N 1.070 121.516 120.400 0.078 0.000 2.414 256 D HA 0.063 4.704 4.640 0.001 0.000 0.259 256 D C 1.212 177.560 176.300 0.080 0.000 1.269 256 D CA -0.647 53.382 54.000 0.048 0.000 1.028 256 D CB 0.912 41.741 40.800 0.048 0.000 1.093 256 D HN 0.295 nan 8.370 nan 0.000 0.545 257 R N -0.976 119.568 120.500 0.074 0.000 2.119 257 R HA -0.141 4.200 4.340 0.001 0.000 0.246 257 R C 2.042 178.383 176.300 0.068 0.000 1.146 257 R CA 2.194 58.337 56.100 0.071 0.000 0.962 257 R CB -1.413 28.938 30.300 0.085 0.000 0.863 257 R HN 0.823 nan 8.270 nan 0.000 0.442 258 T N -3.135 111.469 114.554 0.082 0.000 3.148 258 T HA 0.147 4.498 4.350 0.001 0.000 0.253 258 T C 1.274 176.013 174.700 0.064 0.000 1.134 258 T CA 0.892 63.034 62.100 0.070 0.000 1.051 258 T CB 0.370 69.282 68.868 0.074 0.000 0.959 258 T HN 0.473 nan 8.240 nan 0.000 0.525 259 G N 0.440 109.290 108.800 0.082 0.000 2.157 259 G HA2 -0.204 3.757 3.960 0.001 0.000 0.239 259 G HA3 -0.204 3.757 3.960 0.001 0.000 0.239 259 G C -0.010 174.987 174.900 0.162 0.000 0.982 259 G CA -0.135 45.015 45.100 0.084 0.000 0.650 259 G HN 0.689 nan 8.290 nan 0.000 0.527 260 V N 1.235 121.251 119.914 0.169 0.000 2.614 260 V HA 0.594 4.715 4.120 0.001 0.000 0.291 260 V C 1.520 177.746 176.094 0.220 0.000 1.049 260 V CA 0.166 62.580 62.300 0.190 0.000 1.038 260 V CB 1.308 33.220 31.823 0.148 0.000 0.980 260 V HN 0.740 nan 8.190 nan 0.000 0.481 261 G N 3.080 111.993 108.800 0.189 0.000 2.491 261 G HA2 0.443 4.404 3.960 0.001 0.000 0.242 261 G HA3 0.443 4.404 3.960 0.001 0.000 0.242 261 G C -0.197 174.652 174.900 -0.085 0.000 1.266 261 G CA 0.094 45.159 45.100 -0.058 0.000 0.844 261 G HN 0.686 nan 8.290 nan 0.000 0.571 262 T N 0.915 115.312 114.554 -0.261 0.000 2.923 262 T HA 0.490 4.841 4.350 0.001 0.000 0.311 262 T C -0.554 174.032 174.700 -0.189 0.000 1.183 262 T CA -0.440 61.512 62.100 -0.247 0.000 1.020 262 T CB 1.125 69.766 68.868 -0.377 0.000 1.165 262 T HN 0.361 nan 8.240 nan 0.000 0.482 263 L N 2.575 123.725 121.223 -0.122 0.000 2.313 263 L HA 0.779 5.120 4.340 0.001 0.000 0.283 263 L C -0.079 176.769 176.870 -0.038 0.000 1.013 263 L CA -0.690 54.106 54.840 -0.073 0.000 0.816 263 L CB 1.810 43.843 42.059 -0.045 0.000 1.236 263 L HN 0.543 nan 8.230 nan 0.000 0.419 264 S N 3.444 119.129 115.700 -0.026 0.000 2.541 264 S HA 0.818 5.288 4.470 0.001 0.000 0.280 264 S C -0.839 173.775 174.600 0.024 0.000 1.112 264 S CA -0.573 57.638 58.200 0.019 0.000 0.925 264 S CB 1.674 64.885 63.200 0.018 0.000 1.067 264 S HN 0.466 nan 8.310 nan 0.000 0.479 265 I N 0.827 121.422 120.570 0.042 0.000 3.067 265 I HA 0.866 5.037 4.170 0.001 0.000 0.312 265 I C -1.424 174.780 176.117 0.146 0.000 1.073 265 I CA -1.031 60.306 61.300 0.062 0.000 1.016 265 I CB 1.538 39.543 38.000 0.009 0.000 1.227 265 I HN 0.561 nan 8.210 nan 0.000 0.456 266 F N 2.772 122.701 119.950 -0.036 0.000 2.507 266 F HA 0.762 5.289 4.527 0.001 0.000 0.328 266 F C 0.319 176.094 175.800 -0.042 0.000 1.136 266 F CA -0.210 57.770 58.000 -0.034 0.000 0.930 266 F CB 1.367 40.355 39.000 -0.019 0.000 1.166 266 F HN 1.069 nan 8.300 nan 0.000 0.436 267 G N 4.363 112.780 108.800 -0.639 0.000 3.110 267 G HA2 0.456 4.416 3.960 0.001 0.000 0.506 267 G HA3 0.456 4.416 3.960 0.001 0.000 0.506 267 G C -1.106 173.619 174.900 -0.293 0.000 1.077 267 G CA -0.257 44.497 45.100 -0.577 0.000 0.960 267 G HN 1.493 nan 8.290 nan 0.000 0.434 268 A N 2.083 124.741 122.820 -0.269 0.000 2.532 268 A HA 1.009 5.330 4.320 0.001 0.000 0.290 268 A C -0.264 177.206 177.584 -0.190 0.000 1.143 268 A CA -0.178 51.742 52.037 -0.195 0.000 0.728 268 A CB 2.144 21.038 19.000 -0.175 0.000 1.317 268 A HN 1.399 nan 8.150 nan 0.000 0.414 269 Q N 0.242 119.952 119.800 -0.148 0.000 2.284 269 Q HA 0.681 5.022 4.340 0.001 0.000 0.269 269 Q C -1.742 174.192 176.000 -0.110 0.000 1.026 269 Q CA -0.284 55.446 55.803 -0.123 0.000 0.831 269 Q CB 1.787 30.461 28.738 -0.105 0.000 1.322 269 Q HN 0.817 nan 8.270 nan 0.000 0.419 270 M N 1.901 121.452 119.600 -0.082 0.000 2.644 270 M HA 0.625 5.106 4.480 0.001 0.000 0.304 270 M C -0.899 175.289 176.300 -0.187 0.000 1.215 270 M CA -0.801 54.413 55.300 -0.143 0.000 0.871 270 M CB 2.770 35.331 32.600 -0.066 0.000 1.740 270 M HN 0.474 nan 8.290 nan 0.000 0.464 271 R N 1.037 121.264 120.500 -0.454 0.000 2.628 271 R HA 0.725 5.066 4.340 0.001 0.000 0.288 271 R C -2.221 173.690 176.300 -0.648 0.000 0.980 271 R CA -0.350 55.542 56.100 -0.346 0.000 0.891 271 R CB 1.514 31.694 30.300 -0.200 0.000 1.188 271 R HN 0.595 nan 8.270 nan 0.000 0.450 272 F N 1.376 121.351 119.950 0.042 0.000 2.562 272 F HA 0.302 4.829 4.527 0.001 0.000 0.319 272 F C 0.222 176.041 175.800 0.032 0.000 1.154 272 F CA -0.685 57.346 58.000 0.052 0.000 0.931 272 F CB 2.364 41.372 39.000 0.014 0.000 1.198 272 F HN 0.346 nan 8.300 nan 0.000 0.444 273 S N 3.422 119.241 115.700 0.199 0.000 2.531 273 S HA 0.407 4.878 4.470 0.001 0.000 0.279 273 S C 0.475 175.140 174.600 0.109 0.000 1.305 273 S CA -0.335 57.941 58.200 0.126 0.000 1.058 273 S CB 0.326 63.583 63.200 0.095 0.000 0.899 273 S HN 0.699 nan 8.310 nan 0.000 0.493 274 L N 4.378 125.652 121.223 0.085 0.000 2.808 274 L HA 0.320 4.661 4.340 0.001 0.000 0.246 274 L C 1.022 177.933 176.870 0.069 0.000 1.153 274 L CA -0.259 54.616 54.840 0.059 0.000 0.956 274 L CB -0.030 42.069 42.059 0.067 0.000 1.270 274 L HN 0.501 nan 8.230 nan 0.000 0.528 275 R N 1.691 122.236 120.500 0.075 0.000 2.623 275 R HA 0.019 4.360 4.340 0.001 0.000 0.271 275 R C 0.151 176.515 176.300 0.107 0.000 1.043 275 R CA -0.059 56.089 56.100 0.080 0.000 1.083 275 R CB 0.063 30.402 30.300 0.065 0.000 0.974 275 R HN 0.202 nan 8.270 nan 0.000 0.436 276 N N 2.586 121.352 118.700 0.110 0.000 2.705 276 N HA -0.244 4.497 4.740 0.001 0.000 0.255 276 N C -0.696 174.942 175.510 0.214 0.000 1.008 276 N CA 1.429 54.564 53.050 0.141 0.000 0.742 276 N CB -1.169 37.405 38.487 0.144 0.000 0.906 276 N HN 0.838 nan 8.380 nan 0.000 0.541 277 N N -2.540 116.269 118.700 0.182 0.000 2.965 277 N HA -0.222 4.519 4.740 0.001 0.000 0.232 277 N C -0.191 175.438 175.510 0.198 0.000 0.913 277 N CA 1.325 54.507 53.050 0.219 0.000 0.981 277 N CB -0.807 37.834 38.487 0.257 0.000 1.077 277 N HN 0.545 nan 8.380 nan 0.000 0.589 278 R N 0.415 120.981 120.500 0.111 0.000 2.538 278 R HA 0.272 4.613 4.340 0.001 0.000 0.282 278 R C -0.410 175.781 176.300 -0.182 0.000 1.009 278 R CA 0.146 56.157 56.100 -0.149 0.000 1.063 278 R CB 0.284 30.548 30.300 -0.060 0.000 0.945 278 R HN 0.198 nan 8.270 nan 0.000 0.414 279 L N 6.239 127.257 121.223 -0.341 0.000 2.372 279 L HA 0.406 4.746 4.340 0.001 0.000 0.274 279 L C -2.325 174.137 176.870 -0.680 0.000 0.988 279 L CA -2.104 52.484 54.840 -0.421 0.000 0.833 279 L CB 2.101 43.873 42.059 -0.480 0.000 1.236 279 L HN 0.484 nan 8.230 nan 0.000 0.410 280 P HA 0.122 nan 4.420 nan 0.000 0.230 280 P C -0.615 175.992 177.300 -1.155 0.000 1.791 280 P CA 0.075 62.206 63.100 -1.615 0.000 1.020 280 P CB -0.186 30.813 31.700 -1.167 0.000 1.977 281 L N 2.553 123.257 121.223 -0.864 0.000 2.278 281 L HA 0.175 4.516 4.340 0.001 0.000 0.287 281 L C 0.733 177.557 176.870 -0.077 0.000 1.072 281 L CA -1.084 53.459 54.840 -0.495 0.000 0.819 281 L CB 0.558 42.156 42.059 -0.768 0.000 1.176 281 L HN 0.041 nan 8.230 nan 0.000 0.435 282 L N 3.511 124.748 121.223 0.024 0.000 2.514 282 L HA -0.038 4.303 4.340 0.001 0.000 0.280 282 L C 1.548 178.646 176.870 0.379 0.000 1.223 282 L CA 0.833 55.822 54.840 0.248 0.000 0.864 282 L CB 1.031 43.093 42.059 0.004 0.000 1.118 282 L HN 0.728 nan 8.230 nan 0.000 0.494 283 T N -3.772 111.004 114.554 0.370 0.000 3.023 283 T HA -0.048 4.303 4.350 0.001 0.000 0.249 283 T C 1.439 176.342 174.700 0.339 0.000 1.050 283 T CA 0.556 62.841 62.100 0.309 0.000 1.088 283 T CB -0.277 68.737 68.868 0.244 0.000 0.946 283 T HN 0.658 nan 8.240 nan 0.000 0.480 284 T N -0.737 113.993 114.554 0.293 0.000 3.035 284 T HA 0.157 4.508 4.350 0.001 0.000 0.268 284 T C 0.591 175.396 174.700 0.176 0.000 1.109 284 T CA 0.429 62.652 62.100 0.205 0.000 1.119 284 T CB -0.145 68.789 68.868 0.109 0.000 0.900 284 T HN 0.467 nan 8.240 nan 0.000 0.503 285 K N 0.669 121.184 120.400 0.193 0.000 2.535 285 K HA 0.371 4.692 4.320 0.001 0.000 0.251 285 K C -1.063 175.653 176.600 0.193 0.000 0.942 285 K CA -0.854 55.535 56.287 0.169 0.000 0.798 285 K CB 2.172 34.764 32.500 0.153 0.000 1.267 285 K HN 0.063 nan 8.250 nan 0.000 0.434 286 R N 3.003 123.609 120.500 0.177 0.000 2.484 286 R HA 0.106 4.447 4.340 0.001 0.000 0.293 286 R C -0.761 175.708 176.300 0.282 0.000 1.023 286 R CA -0.120 56.121 56.100 0.236 0.000 1.037 286 R CB 0.423 30.819 30.300 0.159 0.000 0.951 286 R HN 0.260 nan 8.270 nan 0.000 0.418 287 V N 6.276 126.402 119.914 0.354 0.000 2.509 287 V HA 0.108 4.229 4.120 0.001 0.000 0.284 287 V C 0.155 176.460 176.094 0.352 0.000 1.047 287 V CA -0.556 61.913 62.300 0.281 0.000 0.952 287 V CB 1.123 33.027 31.823 0.135 0.000 0.988 287 V HN 0.626 nan 8.190 nan 0.000 0.469 288 F N 5.716 125.767 119.950 0.169 0.000 2.685 288 F HA 0.091 4.619 4.527 0.001 0.000 0.349 288 F C 1.013 176.827 175.800 0.023 0.000 1.294 288 F CA -1.038 57.048 58.000 0.143 0.000 1.201 288 F CB -0.400 38.720 39.000 0.200 0.000 1.615 288 F HN 0.809 nan 8.300 nan 0.000 0.674 289 W N 5.078 126.300 121.300 -0.130 0.000 2.338 289 W HA -0.254 4.407 4.660 0.001 0.000 0.304 289 W C 1.867 178.095 176.519 -0.484 0.000 1.212 289 W CA 1.734 58.871 57.345 -0.346 0.000 1.264 289 W CB -0.189 29.114 29.460 -0.261 0.000 1.142 289 W HN 0.508 nan 8.180 nan 0.000 0.512 290 R N 0.418 120.557 120.500 -0.603 0.000 2.091 290 R HA -0.136 4.204 4.340 0.001 0.000 0.238 290 R C 2.592 178.290 176.300 -1.004 0.000 1.136 290 R CA 2.155 57.830 56.100 -0.708 0.000 0.959 290 R CB -1.045 29.083 30.300 -0.286 0.000 0.856 290 R HN 0.255 nan 8.270 nan 0.000 0.437 291 G N -0.068 107.733 108.800 -1.664 0.000 2.421 291 G HA2 -0.230 3.731 3.960 0.001 0.000 0.216 291 G HA3 -0.230 3.731 3.960 0.001 0.000 0.216 291 G C 1.418 175.914 174.900 -0.674 0.000 1.171 291 G CA 0.930 45.361 45.100 -1.115 0.000 0.775 291 G HN 0.221 nan 8.290 nan 0.000 0.543 292 V N 0.199 119.501 119.914 -1.020 0.000 2.282 292 V HA -0.268 3.853 4.120 0.001 0.000 0.249 292 V C 2.971 178.514 176.094 -0.917 0.000 1.057 292 V CA 1.936 63.529 62.300 -1.177 0.000 1.032 292 V CB -0.853 30.203 31.823 -1.278 0.000 0.645 292 V HN 0.584 nan 8.190 nan 0.000 0.447 293 C N -0.053 118.525 119.300 -1.205 0.000 2.453 293 C HA -0.112 4.349 4.460 0.001 0.000 0.277 293 C C 2.839 177.508 174.990 -0.534 0.000 1.262 293 C CA 1.063 59.491 59.018 -0.983 0.000 1.718 293 C CB -1.024 26.012 27.740 -1.174 0.000 2.031 293 C HN 0.604 nan 8.230 nan 0.000 0.480 294 E N 0.414 120.317 120.200 -0.495 0.000 2.077 294 E HA -0.220 4.131 4.350 0.001 0.000 0.193 294 E C 2.105 178.536 176.600 -0.281 0.000 0.989 294 E CA 1.313 57.522 56.400 -0.318 0.000 0.800 294 E CB -0.623 28.890 29.700 -0.312 0.000 0.746 294 E HN 0.768 nan 8.360 nan 0.000 0.452 295 E N 0.546 120.524 120.200 -0.370 0.000 2.106 295 E HA -0.162 4.189 4.350 0.001 0.000 0.192 295 E C 2.293 178.562 176.600 -0.553 0.000 0.984 295 E CA 0.457 56.583 56.400 -0.456 0.000 0.806 295 E CB -0.011 29.459 29.700 -0.382 0.000 0.750 295 E HN 0.085 nan 8.360 nan 0.000 0.458 296 L N 0.860 121.871 121.223 -0.353 0.000 2.017 296 L HA -0.165 4.176 4.340 0.001 0.000 0.208 296 L C 2.292 179.178 176.870 0.026 0.000 1.073 296 L CA 1.299 56.080 54.840 -0.100 0.000 0.745 296 L CB -0.226 41.799 42.059 -0.058 0.000 0.894 296 L HN 0.176 nan 8.230 nan 0.000 0.432 297 L N -1.932 119.281 121.223 -0.016 0.000 2.042 297 L HA -0.258 4.083 4.340 0.001 0.000 0.210 297 L C 2.397 179.332 176.870 0.108 0.000 1.076 297 L CA 1.813 56.693 54.840 0.066 0.000 0.749 297 L CB -0.896 41.195 42.059 0.052 0.000 0.893 297 L HN 0.511 nan 8.230 nan 0.000 0.432 298 W N 0.645 121.850 121.300 -0.158 0.000 2.338 298 W HA -0.256 4.405 4.660 0.001 0.000 0.304 298 W C 2.299 178.760 176.519 -0.097 0.000 1.212 298 W CA 1.423 58.672 57.345 -0.160 0.000 1.264 298 W CB -0.243 29.053 29.460 -0.273 0.000 1.142 298 W HN -0.027 nan 8.180 nan 0.000 0.512 299 F N 0.279 120.229 119.950 0.000 0.000 2.069 299 F HA -0.221 4.307 4.527 0.002 0.000 0.298 299 F C 2.404 178.017 175.800 -0.311 0.000 1.113 299 F CA 1.452 59.213 58.000 -0.399 0.000 1.214 299 F CB -1.601 37.042 39.000 -0.595 0.000 0.978 299 F HN -0.158 nan 8.300 nan 0.000 0.474 300 L N -0.575 120.760 121.223 0.186 0.000 2.127 300 L HA -0.213 4.127 4.340 0.001 0.000 0.211 300 L C 2.419 179.337 176.870 0.079 0.000 1.089 300 L CA 1.191 56.155 54.840 0.207 0.000 0.757 300 L CB -0.423 41.758 42.059 0.203 0.000 0.899 300 L HN 0.089 nan 8.230 nan 0.000 0.434 301 R N -0.265 120.247 120.500 0.019 0.000 2.307 301 R HA 0.004 4.345 4.340 0.001 0.000 0.199 301 R C 1.106 177.370 176.300 -0.060 0.000 1.000 301 R CA 0.582 56.676 56.100 -0.009 0.000 1.023 301 R CB -0.038 30.260 30.300 -0.004 0.000 0.908 301 R HN 0.467 nan 8.270 nan 0.000 0.473 302 G N 1.631 110.353 108.800 -0.130 0.000 2.198 302 G HA2 -0.286 3.674 3.960 0.001 0.000 0.257 302 G HA3 -0.286 3.674 3.960 0.001 0.000 0.257 302 G C -0.324 174.482 174.900 -0.157 0.000 1.042 302 G CA 0.116 45.134 45.100 -0.136 0.000 0.791 302 G HN 0.309 nan 8.290 nan 0.000 0.502 303 E N -0.354 119.568 120.200 -0.463 0.000 2.349 303 E HA 0.661 5.012 4.350 0.001 0.000 0.265 303 E C 1.543 177.654 176.600 -0.814 0.000 1.064 303 E CA 0.534 56.541 56.400 -0.655 0.000 0.886 303 E CB 0.741 29.742 29.700 -1.165 0.000 1.036 303 E HN 0.485 nan 8.360 nan 0.000 0.413 304 T N -0.290 114.050 114.554 -0.357 0.000 3.130 304 T HA 0.093 4.444 4.350 0.001 0.000 0.288 304 T C -0.326 174.449 174.700 0.124 0.000 0.936 304 T CA -0.323 61.657 62.100 -0.200 0.000 0.897 304 T CB -0.210 68.595 68.868 -0.105 0.000 1.178 304 T HN 0.312 nan 8.240 nan 0.000 0.543 305 Y N 2.755 123.091 120.300 0.061 0.000 2.454 305 Y HA 0.733 5.283 4.550 0.001 0.000 0.345 305 Y C 1.190 177.229 175.900 0.233 0.000 0.970 305 Y CA -2.067 56.026 58.100 -0.011 0.000 1.204 305 Y CB 0.851 39.185 38.460 -0.210 0.000 1.122 305 Y HN 0.217 nan 8.280 nan 0.000 0.514 306 A N 5.025 127.820 122.820 -0.042 0.000 2.167 306 A HA -0.049 4.272 4.320 0.001 0.000 0.214 306 A C 2.153 179.489 177.584 -0.413 0.000 1.151 306 A CA 0.868 52.745 52.037 -0.267 0.000 0.735 306 A CB -0.339 18.523 19.000 -0.231 0.000 0.802 306 A HN 0.796 nan 8.150 nan 0.000 0.467 307 K N 0.481 120.466 120.400 -0.692 0.000 2.209 307 K HA -0.133 4.188 4.320 0.001 0.000 0.204 307 K C 1.698 178.057 176.600 -0.401 0.000 1.048 307 K CA 1.523 57.432 56.287 -0.630 0.000 0.940 307 K CB -0.137 31.789 32.500 -0.957 0.000 0.729 307 K HN 0.448 nan 8.250 nan 0.000 0.451 308 K N 0.215 120.432 120.400 -0.305 0.000 2.209 308 K HA -0.099 4.221 4.320 0.001 0.000 0.204 308 K C 1.894 178.388 176.600 -0.177 0.000 1.048 308 K CA 1.125 57.363 56.287 -0.081 0.000 0.940 308 K CB 0.019 32.629 32.500 0.182 0.000 0.729 308 K HN 0.187 nan 8.250 nan 0.000 0.451 309 L N 0.318 121.322 121.223 -0.366 0.000 2.127 309 L HA -0.110 4.231 4.340 0.001 0.000 0.203 309 L C 2.568 179.229 176.870 -0.349 0.000 1.080 309 L CA 1.038 55.620 54.840 -0.430 0.000 0.768 309 L CB -0.467 41.197 42.059 -0.659 0.000 0.924 309 L HN 0.207 nan 8.230 nan 0.000 0.444 310 S N -1.051 114.447 115.700 -0.337 0.000 2.423 310 S HA -0.178 4.292 4.470 0.001 0.000 0.231 310 S C 1.494 175.929 174.600 -0.276 0.000 1.014 310 S CA 1.185 59.160 58.200 -0.374 0.000 0.965 310 S CB -0.396 62.697 63.200 -0.178 0.000 0.785 310 S HN 0.328 nan 8.310 nan 0.000 0.495 311 D N 2.073 122.364 120.400 -0.182 0.000 2.218 311 D HA 0.007 4.647 4.640 0.001 0.000 0.204 311 D C 1.278 177.521 176.300 -0.095 0.000 0.976 311 D CA 1.001 54.941 54.000 -0.101 0.000 0.853 311 D CB -0.144 40.615 40.800 -0.068 0.000 0.939 311 D HN 0.596 nan 8.370 nan 0.000 0.481 312 K N -0.486 119.831 120.400 -0.139 0.000 2.446 312 K HA 0.309 4.630 4.320 0.001 0.000 0.203 312 K C 0.898 177.428 176.600 -0.116 0.000 1.027 312 K CA 0.214 56.437 56.287 -0.108 0.000 1.166 312 K CB 0.865 33.299 32.500 -0.110 0.000 0.869 312 K HN 0.025 nan 8.250 nan 0.000 0.504 313 G N 1.028 109.716 108.800 -0.186 0.000 2.153 313 G HA2 -0.236 3.725 3.960 0.001 0.000 0.252 313 G HA3 -0.236 3.725 3.960 0.001 0.000 0.252 313 G C -0.022 174.744 174.900 -0.223 0.000 0.994 313 G CA -0.017 44.978 45.100 -0.175 0.000 0.698 313 G HN 0.175 nan 8.290 nan 0.000 0.521 314 V N 0.562 120.269 119.914 -0.345 0.000 2.294 314 V HA 0.440 4.561 4.120 0.001 0.000 0.272 314 V C 0.673 176.591 176.094 -0.293 0.000 1.027 314 V CA -0.459 61.742 62.300 -0.164 0.000 0.823 314 V CB 0.920 32.639 31.823 -0.174 0.000 1.030 314 V HN 0.436 nan 8.190 nan 0.000 0.457 315 H N 3.927 123.018 119.070 0.034 0.000 2.520 315 H HA 0.232 4.788 4.556 0.001 0.000 0.284 315 H C 1.905 177.201 175.328 -0.053 0.000 1.037 315 H CA 0.030 56.064 56.048 -0.023 0.000 1.168 315 H CB 0.296 30.039 29.762 -0.031 0.000 1.497 315 H HN 0.773 nan 8.280 nan 0.000 0.547 316 I N -2.728 117.842 120.570 0.000 0.000 2.567 316 I HA -0.151 4.020 4.170 0.001 0.000 0.257 316 I C 0.980 176.922 176.117 -0.292 0.000 1.184 316 I CA 1.345 62.545 61.300 -0.168 0.000 1.451 316 I CB -0.090 37.742 38.000 -0.279 0.000 1.089 316 I HN 0.169 nan 8.210 nan 0.000 0.441 317 W N 1.488 122.683 121.300 -0.174 0.000 3.220 317 W HA 0.164 4.825 4.660 0.001 0.000 0.328 317 W C 1.571 178.009 176.519 -0.135 0.000 1.205 317 W CA -0.289 56.955 57.345 -0.169 0.000 1.773 317 W CB 0.120 29.442 29.460 -0.231 0.000 1.086 317 W HN 0.068 nan 8.180 nan 0.000 0.622 318 D N 0.459 120.906 120.400 0.078 0.000 2.123 318 D HA -0.209 4.432 4.640 0.001 0.000 0.196 318 D C 1.575 177.879 176.300 0.008 0.000 0.992 318 D CA 1.641 55.674 54.000 0.055 0.000 0.833 318 D CB -0.234 40.609 40.800 0.072 0.000 0.954 318 D HN 0.026 nan 8.370 nan 0.000 0.455 319 D N -0.093 120.268 120.400 -0.065 0.000 2.178 319 D HA -0.061 4.580 4.640 0.001 0.000 0.202 319 D C 1.332 177.453 176.300 -0.298 0.000 0.974 319 D CA 0.643 54.565 54.000 -0.130 0.000 0.841 319 D CB -0.205 40.498 40.800 -0.161 0.000 0.953 319 D HN 0.154 nan 8.370 nan 0.000 0.478 320 N N -0.249 118.233 118.700 -0.362 0.000 2.398 320 N HA 0.025 4.766 4.740 0.001 0.000 0.188 320 N C 1.480 176.991 175.510 0.002 0.000 1.122 320 N CA 0.375 53.053 53.050 -0.620 0.000 0.866 320 N CB 0.660 38.964 38.487 -0.305 0.000 0.970 320 N HN 0.168 nan 8.380 nan 0.000 0.462 321 G N -0.281 108.586 108.800 0.112 0.000 3.192 321 G HA2 0.002 3.963 3.960 0.001 0.000 0.239 321 G HA3 0.002 3.963 3.960 0.001 0.000 0.239 321 G C 0.382 175.397 174.900 0.190 0.000 1.084 321 G CA -0.136 45.080 45.100 0.193 0.000 0.784 321 G HN 0.272 nan 8.290 nan 0.000 0.540 322 S N 0.017 115.824 115.700 0.178 0.000 2.584 322 S HA 0.240 4.711 4.470 0.001 0.000 0.270 322 S C 1.462 176.180 174.600 0.197 0.000 1.346 322 S CA -0.184 58.114 58.200 0.164 0.000 1.018 322 S CB 2.004 65.286 63.200 0.138 0.000 0.899 322 S HN 0.208 nan 8.310 nan 0.000 0.542 323 R N 1.973 122.564 120.500 0.151 0.000 2.113 323 R HA -0.168 4.173 4.340 0.001 0.000 0.244 323 R C 2.328 178.705 176.300 0.128 0.000 1.142 323 R CA 2.331 58.512 56.100 0.135 0.000 0.953 323 R CB -1.423 28.938 30.300 0.102 0.000 0.860 323 R HN 0.869 nan 8.270 nan 0.000 0.438 324 A N -0.500 122.395 122.820 0.126 0.000 1.883 324 A HA -0.161 4.160 4.320 0.001 0.000 0.217 324 A C 2.249 179.910 177.584 0.128 0.000 1.186 324 A CA 1.571 53.673 52.037 0.108 0.000 0.624 324 A CB -0.941 18.121 19.000 0.104 0.000 0.822 324 A HN 0.516 nan 8.150 nan 0.000 0.444 325 F N 0.395 120.382 119.950 0.062 0.000 2.146 325 F HA -0.088 4.440 4.527 0.001 0.000 0.298 325 F C 1.975 177.821 175.800 0.077 0.000 1.096 325 F CA 1.590 59.632 58.000 0.069 0.000 1.275 325 F CB -0.194 38.857 39.000 0.085 0.000 1.008 325 F HN 0.131 nan 8.300 nan 0.000 0.480 326 L N -0.103 121.271 121.223 0.252 0.000 2.042 326 L HA -0.258 4.083 4.340 0.001 0.000 0.210 326 L C 2.100 178.969 176.870 -0.001 0.000 1.076 326 L CA 1.516 56.452 54.840 0.161 0.000 0.749 326 L CB -0.868 41.335 42.059 0.241 0.000 0.893 326 L HN 0.075 nan 8.230 nan 0.000 0.432 327 D N -0.443 119.961 120.400 0.007 0.000 2.182 327 D HA -0.167 4.474 4.640 0.001 0.000 0.201 327 D C 2.349 178.592 176.300 -0.094 0.000 0.986 327 D CA 1.675 55.654 54.000 -0.034 0.000 0.847 327 D CB -0.091 40.707 40.800 -0.003 0.000 0.942 327 D HN 0.336 nan 8.370 nan 0.000 0.467 328 S N -0.232 115.374 115.700 -0.157 0.000 2.561 328 S HA -0.020 4.451 4.470 0.001 0.000 0.225 328 S C 1.405 175.838 174.600 -0.279 0.000 0.977 328 S CA 0.182 58.249 58.200 -0.220 0.000 0.926 328 S CB 0.129 63.166 63.200 -0.271 0.000 0.769 328 S HN 0.046 nan 8.310 nan 0.000 0.533 329 R N 0.427 120.757 120.500 -0.284 0.000 2.468 329 R HA 0.346 4.687 4.340 0.001 0.000 0.280 329 R C 1.469 177.681 176.300 -0.147 0.000 0.963 329 R CA 0.422 56.392 56.100 -0.218 0.000 1.083 329 R CB -0.512 29.663 30.300 -0.207 0.000 1.200 329 R HN 0.554 nan 8.270 nan 0.000 0.541 330 G N 1.450 110.169 108.800 -0.135 0.000 2.162 330 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 330 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 330 G C 0.244 175.046 174.900 -0.164 0.000 0.976 330 G CA 0.062 45.087 45.100 -0.124 0.000 0.655 330 G HN 0.318 nan 8.290 nan 0.000 0.533 331 L N 2.195 123.303 121.223 -0.191 0.000 2.648 331 L HA 0.294 4.634 4.340 0.001 0.000 0.238 331 L C 2.051 178.790 176.870 -0.218 0.000 1.316 331 L CA 0.299 54.931 54.840 -0.347 0.000 1.241 331 L CB -0.046 41.776 42.059 -0.396 0.000 1.499 331 L HN 0.331 nan 8.230 nan 0.000 0.411 332 T N -3.918 110.548 114.554 -0.146 0.000 3.055 332 T HA -0.120 4.231 4.350 0.001 0.000 0.265 332 T C 1.350 176.049 174.700 -0.003 0.000 1.111 332 T CA 0.857 62.928 62.100 -0.048 0.000 1.118 332 T CB -0.052 68.793 68.868 -0.039 0.000 0.909 332 T HN 0.671 nan 8.240 nan 0.000 0.501 333 E N -0.440 119.731 120.200 -0.048 0.000 2.385 333 E HA 0.006 4.357 4.350 0.001 0.000 0.194 333 E C -0.325 176.454 176.600 0.298 0.000 1.013 333 E CA -0.208 56.239 56.400 0.079 0.000 0.866 333 E CB -0.243 29.472 29.700 0.025 0.000 0.832 333 E HN 0.445 nan 8.360 nan 0.000 0.500 334 Y N 2.625 123.020 120.300 0.159 0.000 2.359 334 Y HA 0.159 4.710 4.550 0.001 0.000 0.330 334 Y C 0.891 176.913 175.900 0.203 0.000 1.143 334 Y CA -1.646 56.585 58.100 0.219 0.000 1.318 334 Y CB 0.357 38.921 38.460 0.173 0.000 1.234 334 Y HN 0.032 nan 8.280 nan 0.000 0.522 335 E N 2.406 122.841 120.200 0.392 0.000 2.404 335 E HA -0.019 4.332 4.350 0.001 0.000 0.261 335 E C -0.441 176.325 176.600 0.275 0.000 1.074 335 E CA -0.368 56.193 56.400 0.268 0.000 0.917 335 E CB 0.556 30.395 29.700 0.233 0.000 0.965 335 E HN 0.626 nan 8.360 nan 0.000 0.433 336 E N 2.765 123.101 120.200 0.227 0.000 2.502 336 E HA -0.130 4.221 4.350 0.001 0.000 0.261 336 E C 0.434 177.171 176.600 0.229 0.000 0.974 336 E CA 0.382 56.906 56.400 0.206 0.000 0.936 336 E CB 0.314 30.106 29.700 0.154 0.000 0.926 336 E HN 0.476 nan 8.360 nan 0.000 0.459 337 M N 0.106 119.809 119.600 0.172 0.000 2.931 337 M HA -0.208 4.273 4.480 0.001 0.000 0.190 337 M C -0.177 176.223 176.300 0.168 0.000 0.626 337 M CA 0.792 56.146 55.300 0.091 0.000 0.722 337 M CB -1.975 30.547 32.600 -0.130 0.000 2.597 337 M HN 0.489 nan 8.290 nan 0.000 0.299 338 D N 1.710 122.239 120.400 0.215 0.000 2.365 338 D HA 0.460 5.100 4.640 0.001 0.000 0.237 338 D C 0.948 177.226 176.300 -0.036 0.000 1.190 338 D CA -0.048 54.007 54.000 0.092 0.000 0.867 338 D CB 0.447 41.303 40.800 0.092 0.000 1.050 338 D HN 0.435 nan 8.370 nan 0.000 0.491 339 L N 2.966 124.136 121.223 -0.089 0.000 2.558 339 L HA 0.257 4.598 4.340 0.001 0.000 0.225 339 L C 1.519 178.246 176.870 -0.237 0.000 1.128 339 L CA 0.235 55.031 54.840 -0.074 0.000 0.868 339 L CB -0.580 41.401 42.059 -0.130 0.000 1.006 339 L HN 0.625 nan 8.230 nan 0.000 0.454 340 G N 1.012 109.407 108.800 -0.674 0.000 2.698 340 G HA2 -0.190 3.771 3.960 0.001 0.000 0.225 340 G HA3 -0.190 3.771 3.960 0.001 0.000 0.225 340 G C -2.505 171.619 174.900 -1.293 0.000 1.345 340 G CA -0.498 43.937 45.100 -1.108 0.000 0.871 340 G HN 0.024 nan 8.290 nan 0.000 0.540 341 P HA 0.299 nan 4.420 nan 0.000 0.232 341 P C 0.852 177.846 177.300 -0.511 0.000 1.738 341 P CA 0.585 62.945 63.100 -1.232 0.000 0.948 341 P CB -0.590 30.474 31.700 -1.060 0.000 1.943 342 V N -2.487 117.180 119.914 -0.411 0.000 3.133 342 V HA 0.127 4.248 4.120 0.001 0.000 0.305 342 V C 1.273 177.271 176.094 -0.160 0.000 1.084 342 V CA -0.463 61.686 62.300 -0.252 0.000 1.089 342 V CB -0.594 31.137 31.823 -0.153 0.000 1.073 342 V HN 0.194 nan 8.190 nan 0.000 0.477 343 Y N 2.580 122.777 120.300 -0.173 0.000 1.975 343 Y HA -0.411 4.140 4.550 0.001 0.000 0.312 343 Y C 2.434 177.883 175.900 -0.751 0.000 0.799 343 Y CA 2.986 60.823 58.100 -0.438 0.000 2.030 343 Y CB -2.092 35.949 38.460 -0.699 0.000 0.750 343 Y HN 0.845 nan 8.280 nan 0.000 0.724 344 G N -1.409 106.912 108.800 -0.799 0.000 2.462 344 G HA2 -0.285 3.676 3.960 0.001 0.000 0.220 344 G HA3 -0.285 3.676 3.960 0.001 0.000 0.220 344 G C 1.406 176.152 174.900 -0.257 0.000 1.121 344 G CA 1.011 45.637 45.100 -0.789 0.000 0.758 344 G HN 0.486 nan 8.290 nan 0.000 0.559 345 F N 1.072 120.856 119.950 -0.276 0.000 2.134 345 F HA -0.103 4.425 4.527 0.001 0.000 0.299 345 F C 2.849 178.639 175.800 -0.016 0.000 1.097 345 F CA 1.797 59.728 58.000 -0.114 0.000 1.264 345 F CB 0.101 38.980 39.000 -0.203 0.000 1.001 345 F HN 0.085 nan 8.300 nan 0.000 0.479 346 Q N -0.577 119.337 119.800 0.190 0.000 2.119 346 Q HA -0.186 4.154 4.340 0.001 0.000 0.201 346 Q C 2.058 178.314 176.000 0.426 0.000 0.972 346 Q CA 1.395 57.365 55.803 0.279 0.000 0.847 346 Q CB -0.950 27.980 28.738 0.319 0.000 0.903 346 Q HN 0.532 nan 8.270 nan 0.000 0.433 347 W N 1.154 122.504 121.300 0.084 0.000 2.338 347 W HA -0.108 4.553 4.660 0.002 0.000 0.304 347 W C 1.935 178.363 176.519 -0.151 0.000 1.212 347 W CA 0.775 58.101 57.345 -0.031 0.000 1.264 347 W CB -0.337 29.011 29.460 -0.186 0.000 1.142 347 W HN 0.145 nan 8.180 nan 0.000 0.512 348 R N -1.764 118.691 120.500 -0.075 0.000 2.307 348 R HA 0.085 4.426 4.340 0.001 0.000 0.200 348 R C 0.204 176.020 176.300 -0.807 0.000 0.893 348 R CA 0.687 56.510 56.100 -0.462 0.000 1.042 348 R CB -0.449 29.458 30.300 -0.655 0.000 1.059 348 R HN 0.275 nan 8.270 nan 0.000 0.530 349 H N -1.002 117.907 119.070 -0.268 0.000 2.924 349 H HA 0.137 4.694 4.556 0.001 0.000 0.229 349 H C -0.747 174.472 175.328 -0.182 0.000 1.345 349 H CA -0.962 54.852 56.048 -0.391 0.000 1.044 349 H CB -0.497 28.643 29.762 -1.036 0.000 2.221 349 H HN -0.068 nan 8.280 nan 0.000 0.574 350 F N 2.125 122.067 119.950 -0.013 0.000 2.612 350 F HA 0.241 4.769 4.527 0.002 0.000 0.389 350 F C 1.533 177.393 175.800 0.099 0.000 1.055 350 F CA 2.101 60.150 58.000 0.082 0.000 1.232 350 F CB 0.511 39.572 39.000 0.103 0.000 1.044 350 F HN 0.607 nan 8.300 nan 0.000 0.560 351 G N 3.544 112.112 108.800 -0.386 0.000 2.184 351 G HA2 -0.175 3.785 3.960 0.001 0.000 0.264 351 G HA3 -0.175 3.785 3.960 0.001 0.000 0.264 351 G C 0.203 175.126 174.900 0.039 0.000 0.975 351 G CA 0.031 45.032 45.100 -0.164 0.000 0.642 351 G HN 1.349 nan 8.290 nan 0.000 0.536 352 A N 0.204 123.097 122.820 0.122 0.000 2.425 352 A HA 0.810 5.131 4.320 0.001 0.000 0.249 352 A C 0.984 178.715 177.584 0.245 0.000 1.084 352 A CA 0.902 53.057 52.037 0.197 0.000 0.781 352 A CB 0.513 19.631 19.000 0.195 0.000 1.019 352 A HN 2.089 nan 8.150 nan 0.000 0.490 353 A N 1.540 124.476 122.820 0.193 0.000 2.488 353 A HA 0.437 4.758 4.320 0.001 0.000 0.249 353 A C -0.425 177.301 177.584 0.236 0.000 1.083 353 A CA 0.162 52.294 52.037 0.158 0.000 0.768 353 A CB -0.250 18.812 19.000 0.103 0.000 1.017 353 A HN 0.926 nan 8.150 nan 0.000 0.496 354 Y N 2.264 122.547 120.300 -0.028 0.000 2.360 354 Y HA 0.416 4.967 4.550 0.001 0.000 0.337 354 Y C 1.382 177.255 175.900 -0.045 0.000 1.039 354 Y CA 0.535 58.557 58.100 -0.130 0.000 1.109 354 Y CB 1.763 39.943 38.460 -0.467 0.000 1.201 354 Y HN 0.856 nan 8.280 nan 0.000 0.458 355 T N 1.079 115.410 114.554 -0.372 0.000 3.391 355 T HA 0.324 4.675 4.350 0.001 0.000 0.233 355 T C -0.066 174.186 174.700 -0.747 0.000 0.960 355 T CA 0.173 62.054 62.100 -0.365 0.000 1.342 355 T CB 0.067 68.828 68.868 -0.179 0.000 1.124 355 T HN 0.569 nan 8.240 nan 0.000 0.396 356 H N 0.086 118.853 119.070 -0.505 0.000 2.977 356 H HA 0.356 4.913 4.556 0.001 0.000 0.350 356 H C 0.901 175.937 175.328 -0.487 0.000 1.238 356 H CA -0.000 55.809 56.048 -0.398 0.000 1.124 356 H CB 1.508 31.137 29.762 -0.222 0.000 1.866 356 H HN 0.625 nan 8.280 nan 0.000 0.550 357 H N -0.469 118.538 119.070 -0.105 0.000 2.456 357 H HA -0.082 4.475 4.556 0.001 0.000 0.296 357 H C 0.253 175.547 175.328 -0.057 0.000 1.079 357 H CA 1.887 57.919 56.048 -0.026 0.000 1.322 357 H CB 0.055 29.787 29.762 -0.050 0.000 1.388 357 H HN 0.457 nan 8.280 nan 0.000 0.538 358 D N 1.448 121.372 120.400 -0.792 0.000 2.178 358 D HA 0.020 4.661 4.640 0.001 0.000 0.201 358 D C 1.254 177.346 176.300 -0.347 0.000 0.980 358 D CA 1.175 54.826 54.000 -0.581 0.000 0.842 358 D CB -0.243 40.226 40.800 -0.551 0.000 0.948 358 D HN 0.674 nan 8.370 nan 0.000 0.472 359 A N 0.536 123.126 122.820 -0.384 0.000 2.429 359 A HA 0.005 4.326 4.320 0.001 0.000 0.242 359 A C 0.379 177.561 177.584 -0.670 0.000 1.088 359 A CA -0.177 51.524 52.037 -0.560 0.000 0.784 359 A CB -0.052 18.488 19.000 -0.766 0.000 1.038 359 A HN 0.253 nan 8.150 nan 0.000 0.501 360 N N 0.203 118.528 118.700 -0.626 0.000 2.406 360 N HA 0.311 5.052 4.740 0.001 0.000 0.251 360 N C -0.899 174.226 175.510 -0.642 0.000 1.069 360 N CA -0.201 52.556 53.050 -0.488 0.000 0.947 360 N CB 0.221 38.520 38.487 -0.313 0.000 1.111 360 N HN 0.606 nan 8.380 nan 0.000 0.497 361 Y N 0.947 121.061 120.300 -0.309 0.000 2.531 361 Y HA 0.194 4.745 4.550 0.001 0.000 0.249 361 Y C -0.176 175.403 175.900 -0.535 0.000 1.168 361 Y CA -0.649 57.176 58.100 -0.459 0.000 1.226 361 Y CB 0.212 38.261 38.460 -0.685 0.000 1.177 361 Y HN 0.468 nan 8.280 nan 0.000 0.527 362 D N 1.062 121.215 120.400 -0.410 0.000 2.570 362 D HA 0.139 4.780 4.640 0.001 0.000 0.243 362 D C 1.449 177.293 176.300 -0.759 0.000 1.171 362 D CA 1.812 55.322 54.000 -0.816 0.000 0.879 362 D CB 0.509 40.648 40.800 -1.101 0.000 1.143 362 D HN 0.585 nan 8.370 nan 0.000 0.511 363 G N 2.335 110.805 108.800 -0.551 0.000 2.168 363 G HA2 -0.279 3.682 3.960 0.001 0.000 0.263 363 G HA3 -0.279 3.682 3.960 0.001 0.000 0.263 363 G C 0.148 175.078 174.900 0.051 0.000 0.977 363 G CA -0.074 45.012 45.100 -0.022 0.000 0.659 363 G HN 0.484 nan 8.290 nan 0.000 0.533 364 Q N 0.192 120.010 119.800 0.030 0.000 2.243 364 Q HA 0.567 4.908 4.340 0.001 0.000 0.252 364 Q C 0.940 177.019 176.000 0.132 0.000 0.909 364 Q CA 0.502 56.346 55.803 0.069 0.000 0.922 364 Q CB 1.234 30.004 28.738 0.053 0.000 1.215 364 Q HN 1.652 nan 8.270 nan 0.000 0.427 365 G N 0.790 109.664 108.800 0.124 0.000 2.698 365 G HA2 -0.228 3.733 3.960 0.001 0.000 0.233 365 G HA3 -0.228 3.733 3.960 0.001 0.000 0.233 365 G C -0.691 174.296 174.900 0.146 0.000 1.352 365 G CA -0.464 44.723 45.100 0.145 0.000 0.879 365 G HN 0.478 nan 8.290 nan 0.000 0.567 366 V N 1.054 121.079 119.914 0.185 0.000 2.406 366 V HA 0.402 4.523 4.120 0.001 0.000 0.272 366 V C 0.233 176.376 176.094 0.083 0.000 1.043 366 V CA -0.059 62.323 62.300 0.137 0.000 0.915 366 V CB 1.609 33.512 31.823 0.133 0.000 0.988 366 V HN 0.733 nan 8.190 nan 0.000 0.466 367 D N 4.021 124.442 120.400 0.035 0.000 2.422 367 D HA 0.162 4.802 4.640 0.001 0.000 0.227 367 D C 1.005 177.308 176.300 0.005 0.000 1.190 367 D CA 0.185 54.172 54.000 -0.021 0.000 0.905 367 D CB 1.181 41.972 40.800 -0.015 0.000 1.034 367 D HN 0.600 nan 8.370 nan 0.000 0.507 368 Q N 2.702 122.513 119.800 0.018 0.000 2.123 368 Q HA -0.069 4.272 4.340 0.001 0.000 0.199 368 Q C 1.753 177.749 176.000 -0.006 0.000 0.966 368 Q CA 0.615 56.440 55.803 0.037 0.000 0.845 368 Q CB 0.442 29.245 28.738 0.109 0.000 0.907 368 Q HN 0.577 nan 8.270 nan 0.000 0.439 369 I N 1.102 121.619 120.570 -0.087 0.000 2.226 369 I HA -0.250 3.921 4.170 0.001 0.000 0.245 369 I C 2.249 178.321 176.117 -0.076 0.000 1.100 369 I CA 1.478 62.695 61.300 -0.138 0.000 1.374 369 I CB -0.904 36.997 38.000 -0.166 0.000 1.057 369 I HN 0.190 nan 8.210 nan 0.000 0.413 370 K N 1.137 121.513 120.400 -0.040 0.000 2.057 370 K HA -0.126 4.195 4.320 0.001 0.000 0.207 370 K C 2.235 178.825 176.600 -0.016 0.000 1.049 370 K CA 1.507 57.784 56.287 -0.017 0.000 0.931 370 K CB -0.021 32.485 32.500 0.009 0.000 0.714 370 K HN 0.238 nan 8.250 nan 0.000 0.440 371 A N 1.120 123.936 122.820 -0.006 0.000 1.877 371 A HA -0.139 4.182 4.320 0.001 0.000 0.216 371 A C 2.090 179.669 177.584 -0.008 0.000 1.186 371 A CA 1.520 53.557 52.037 0.002 0.000 0.620 371 A CB -0.591 18.418 19.000 0.015 0.000 0.822 371 A HN 0.338 nan 8.150 nan 0.000 0.443 372 I N -0.569 119.995 120.570 -0.010 0.000 2.179 372 I HA -0.228 3.943 4.170 0.001 0.000 0.242 372 I C 2.377 178.435 176.117 -0.099 0.000 1.088 372 I CA 1.165 62.446 61.300 -0.032 0.000 1.357 372 I CB -0.334 37.658 38.000 -0.013 0.000 1.051 372 I HN 0.155 nan 8.210 nan 0.000 0.409 373 V N 0.579 120.424 119.914 -0.115 0.000 2.332 373 V HA -0.312 3.809 4.120 0.001 0.000 0.248 373 V C 2.510 178.559 176.094 -0.075 0.000 1.055 373 V CA 2.171 64.400 62.300 -0.117 0.000 1.038 373 V CB -0.549 31.219 31.823 -0.091 0.000 0.651 373 V HN 0.410 nan 8.190 nan 0.000 0.450 374 E N 0.022 120.194 120.200 -0.047 0.000 2.107 374 E HA -0.135 4.216 4.350 0.001 0.000 0.191 374 E C 2.231 178.812 176.600 -0.032 0.000 0.982 374 E CA 1.651 58.031 56.400 -0.032 0.000 0.809 374 E CB -0.382 29.308 29.700 -0.017 0.000 0.756 374 E HN 0.635 nan 8.360 nan 0.000 0.459 375 T N 0.687 115.223 114.554 -0.030 0.000 2.821 375 T HA -0.053 4.298 4.350 0.001 0.000 0.267 375 T C 1.860 176.539 174.700 -0.035 0.000 1.046 375 T CA 0.875 62.961 62.100 -0.024 0.000 1.139 375 T CB -0.188 68.675 68.868 -0.009 0.000 0.871 375 T HN 0.112 nan 8.240 nan 0.000 0.454 376 L N 0.428 121.618 121.223 -0.055 0.000 2.083 376 L HA -0.098 4.242 4.340 0.001 0.000 0.209 376 L C 2.624 179.460 176.870 -0.057 0.000 1.083 376 L CA 1.370 56.170 54.840 -0.066 0.000 0.752 376 L CB -0.379 41.612 42.059 -0.112 0.000 0.899 376 L HN 0.223 nan 8.230 nan 0.000 0.433 377 K N -0.936 119.432 120.400 -0.053 0.000 2.167 377 K HA -0.083 4.238 4.320 0.001 0.000 0.203 377 K C 2.007 178.586 176.600 -0.035 0.000 1.052 377 K CA 1.752 58.012 56.287 -0.044 0.000 0.956 377 K CB 0.010 32.485 32.500 -0.042 0.000 0.735 377 K HN 0.481 nan 8.250 nan 0.000 0.451 378 T N -2.624 111.912 114.554 -0.031 0.000 3.046 378 T HA 0.010 4.361 4.350 0.001 0.000 0.242 378 T C 0.868 175.553 174.700 -0.025 0.000 1.018 378 T CA 0.063 62.148 62.100 -0.025 0.000 1.131 378 T CB 0.005 68.861 68.868 -0.020 0.000 0.904 378 T HN 0.019 nan 8.240 nan 0.000 0.459 379 N N 1.926 120.610 118.700 -0.026 0.000 2.844 379 N HA 0.278 5.018 4.740 0.001 0.000 0.268 379 N C -2.442 173.048 175.510 -0.034 0.000 1.574 379 N CA -1.724 51.311 53.050 -0.026 0.000 0.838 379 N CB 1.663 40.139 38.487 -0.018 0.000 1.177 379 N HN 0.054 nan 8.380 nan 0.000 0.495 380 P HA -0.013 nan 4.420 nan 0.000 0.223 380 P C 0.296 177.541 177.300 -0.092 0.000 1.151 380 P CA 0.901 63.963 63.100 -0.064 0.000 0.787 380 P CB 0.351 32.009 31.700 -0.071 0.000 0.788 381 D N -0.811 119.540 120.400 -0.081 0.000 2.363 381 D HA -0.037 4.604 4.640 0.001 0.000 0.226 381 D C 0.271 176.539 176.300 -0.054 0.000 1.020 381 D CA 0.430 54.374 54.000 -0.093 0.000 0.892 381 D CB -0.854 39.906 40.800 -0.068 0.000 0.900 381 D HN 0.244 nan 8.370 nan 0.000 0.531 382 D N 0.128 120.509 120.400 -0.031 0.000 2.525 382 D HA -0.047 4.593 4.640 0.001 0.000 0.235 382 D C 0.762 177.073 176.300 0.019 0.000 1.137 382 D CA 0.315 54.313 54.000 -0.003 0.000 0.868 382 D CB 0.623 41.425 40.800 0.004 0.000 1.180 382 D HN -0.081 nan 8.370 nan 0.000 0.465 383 R N 2.800 123.317 120.500 0.028 0.000 2.507 383 R HA 0.210 4.551 4.340 0.001 0.000 0.298 383 R C 0.484 176.810 176.300 0.042 0.000 0.999 383 R CA -0.025 56.104 56.100 0.048 0.000 1.082 383 R CB 0.512 30.839 30.300 0.044 0.000 1.246 383 R HN 0.346 nan 8.270 nan 0.000 0.553 384 R N 0.122 120.646 120.500 0.039 0.000 2.600 384 R HA 0.296 4.637 4.340 0.001 0.000 0.392 384 R C -0.062 176.268 176.300 0.050 0.000 1.032 384 R CA -0.148 55.970 56.100 0.031 0.000 1.139 384 R CB 0.657 30.968 30.300 0.018 0.000 1.400 384 R HN 0.002 nan 8.270 nan 0.000 0.566 385 M N 2.674 122.325 119.600 0.086 0.000 2.974 385 M HA 0.237 4.717 4.480 0.001 0.000 0.301 385 M C -0.977 175.442 176.300 0.199 0.000 1.409 385 M CA -0.208 55.179 55.300 0.145 0.000 1.515 385 M CB 0.034 32.739 32.600 0.175 0.000 1.163 385 M HN 0.045 nan 8.290 nan 0.000 0.520 386 L N -0.101 121.200 121.223 0.130 0.000 2.424 386 L HA 0.927 5.268 4.340 0.001 0.000 0.258 386 L C -1.035 175.895 176.870 0.100 0.000 0.995 386 L CA -1.005 53.870 54.840 0.057 0.000 0.821 386 L CB 1.392 43.405 42.059 -0.076 0.000 1.383 386 L HN 0.341 nan 8.230 nan 0.000 0.410 387 F N -1.452 118.496 119.950 -0.003 0.000 2.561 387 F HA 0.952 5.480 4.527 0.001 0.000 0.321 387 F C -0.191 175.601 175.800 -0.014 0.000 1.065 387 F CA -0.670 57.307 58.000 -0.039 0.000 0.934 387 F CB 1.919 40.861 39.000 -0.096 0.000 1.215 387 F HN 0.760 nan 8.300 nan 0.000 0.471 388 T N 0.328 115.031 114.554 0.248 0.000 2.906 388 T HA 0.685 5.035 4.350 0.001 0.000 0.295 388 T C -0.119 174.927 174.700 0.575 0.000 1.061 388 T CA -0.074 62.197 62.100 0.284 0.000 1.000 388 T CB 1.623 70.607 68.868 0.192 0.000 1.103 388 T HN 1.096 nan 8.240 nan 0.000 0.486 389 A N 2.691 125.864 122.820 0.587 0.000 2.431 389 A HA 0.279 4.600 4.320 0.001 0.000 0.239 389 A C 0.496 178.311 177.584 0.385 0.000 1.230 389 A CA -0.540 51.819 52.037 0.537 0.000 0.928 389 A CB 0.097 19.394 19.000 0.495 0.000 1.006 389 A HN 0.804 nan 8.150 nan 0.000 0.520 390 W N 2.358 123.809 121.300 0.251 0.000 2.430 390 W HA 0.289 4.949 4.660 0.001 0.000 0.380 390 W C -0.753 175.906 176.519 0.233 0.000 1.045 390 W CA -0.315 57.133 57.345 0.171 0.000 1.547 390 W CB 0.228 29.761 29.460 0.122 0.000 1.554 390 W HN 0.266 nan 8.180 nan 0.000 0.378 391 N N 6.918 125.541 118.700 -0.128 0.000 2.706 391 N HA 0.229 4.970 4.740 0.001 0.000 0.240 391 N C -1.883 173.445 175.510 -0.304 0.000 1.039 391 N CA -2.160 50.818 53.050 -0.119 0.000 0.888 391 N CB 1.506 39.765 38.487 -0.380 0.000 1.128 391 N HN 0.039 nan 8.380 nan 0.000 0.512 392 P HA -0.106 nan 4.420 nan 0.000 0.217 392 P C 1.016 178.222 177.300 -0.156 0.000 1.148 392 P CA 1.202 64.173 63.100 -0.216 0.000 0.828 392 P CB 0.433 32.117 31.700 -0.027 0.000 0.783 393 S N -0.623 115.010 115.700 -0.113 0.000 2.368 393 S HA -0.119 4.352 4.470 0.001 0.000 0.225 393 S C 1.978 176.494 174.600 -0.140 0.000 1.030 393 S CA 1.491 59.632 58.200 -0.098 0.000 0.999 393 S CB -0.823 62.335 63.200 -0.070 0.000 0.844 393 S HN 0.196 nan 8.310 nan 0.000 0.459 394 A N 0.705 123.404 122.820 -0.202 0.000 2.147 394 A HA 0.345 4.666 4.320 0.001 0.000 0.211 394 A C 1.894 179.337 177.584 -0.235 0.000 1.160 394 A CA 0.036 51.943 52.037 -0.216 0.000 0.781 394 A CB -0.415 18.431 19.000 -0.255 0.000 0.842 394 A HN 0.398 nan 8.150 nan 0.000 0.475 395 L N -0.102 120.950 121.223 -0.285 0.000 2.021 395 L HA -0.175 4.165 4.340 0.001 0.000 0.215 395 L C -0.547 176.208 176.870 -0.191 0.000 1.074 395 L CA 1.736 56.393 54.840 -0.304 0.000 0.760 395 L CB -1.687 40.117 42.059 -0.425 0.000 0.889 395 L HN 0.223 nan 8.230 nan 0.000 0.433 396 P HA -0.122 nan 4.420 nan 0.000 0.225 396 P C 1.222 178.460 177.300 -0.104 0.000 1.148 396 P CA 1.056 64.090 63.100 -0.110 0.000 0.779 396 P CB -0.028 31.615 31.700 -0.095 0.000 0.780 397 R N -1.679 118.752 120.500 -0.115 0.000 2.276 397 R HA 0.224 4.564 4.340 0.001 0.000 0.196 397 R C 0.926 177.203 176.300 -0.039 0.000 0.961 397 R CA 0.355 56.405 56.100 -0.084 0.000 1.024 397 R CB -0.293 29.948 30.300 -0.098 0.000 0.940 397 R HN 0.357 nan 8.270 nan 0.000 0.480 398 M N -0.347 119.200 119.600 -0.089 0.000 2.249 398 M HA 0.240 4.721 4.480 0.001 0.000 0.351 398 M C 1.368 177.708 176.300 0.067 0.000 1.180 398 M CA -0.257 55.002 55.300 -0.069 0.000 1.127 398 M CB 1.559 34.078 32.600 -0.136 0.000 1.546 398 M HN -0.064 nan 8.290 nan 0.000 0.461 399 A N 2.773 125.689 122.820 0.161 0.000 1.978 399 A HA 0.039 4.360 4.320 0.001 0.000 0.220 399 A C 0.481 178.301 177.584 0.393 0.000 1.170 399 A CA 1.513 53.749 52.037 0.331 0.000 0.636 399 A CB 0.016 19.261 19.000 0.409 0.000 0.810 399 A HN 0.596 nan 8.150 nan 0.000 0.448 400 L N -0.775 120.622 121.223 0.289 0.000 2.565 400 L HA 0.415 4.756 4.340 0.001 0.000 0.261 400 L C -2.712 174.235 176.870 0.127 0.000 0.932 400 L CA -1.660 53.346 54.840 0.277 0.000 0.878 400 L CB 2.382 44.675 42.059 0.390 0.000 1.333 400 L HN -0.067 nan 8.230 nan 0.000 0.409 401 P HA 0.299 nan 4.420 nan 0.000 0.274 401 P C -2.750 174.568 177.300 0.029 0.000 1.231 401 P CA -1.275 61.804 63.100 -0.035 0.000 0.790 401 P CB -0.144 31.538 31.700 -0.031 0.000 0.951 402 P HA -0.004 nan 4.420 nan 0.000 0.268 402 P C 0.699 178.142 177.300 0.239 0.000 1.204 402 P CA -0.093 62.881 63.100 -0.211 0.000 0.768 402 P CB 0.576 32.141 31.700 -0.225 0.000 0.842 403 C N 3.312 122.790 119.300 0.298 0.000 2.668 403 C HA 0.010 4.471 4.460 0.001 0.000 0.283 403 C C 1.176 176.372 174.990 0.345 0.000 1.317 403 C CA 0.668 59.891 59.018 0.341 0.000 1.696 403 C CB -1.672 26.306 27.740 0.396 0.000 2.138 403 C HN 0.738 nan 8.230 nan 0.000 0.520 404 H N 1.257 120.619 119.070 0.485 0.000 2.846 404 H HA 0.477 5.033 4.556 0.001 0.000 0.278 404 H C 0.297 175.929 175.328 0.507 0.000 1.117 404 H CA -0.194 56.075 56.048 0.368 0.000 1.406 404 H CB 0.095 30.048 29.762 0.319 0.000 1.445 404 H HN 0.447 nan 8.280 nan 0.000 0.469 405 L N 1.413 122.865 121.223 0.381 0.000 2.701 405 L HA 0.462 4.803 4.340 0.001 0.000 0.238 405 L C -0.240 176.804 176.870 0.289 0.000 1.106 405 L CA -0.149 54.925 54.840 0.391 0.000 0.898 405 L CB 0.405 42.705 42.059 0.402 0.000 1.188 405 L HN 0.527 nan 8.230 nan 0.000 0.508 406 L N 0.566 121.862 121.223 0.121 0.000 2.505 406 L HA 0.942 5.283 4.340 0.001 0.000 0.259 406 L C -1.642 175.023 176.870 -0.341 0.000 0.952 406 L CA -0.350 54.415 54.840 -0.124 0.000 0.840 406 L CB 2.014 44.013 42.059 -0.100 0.000 1.358 406 L HN 0.057 nan 8.230 nan 0.000 0.409 407 A N 3.731 126.119 122.820 -0.720 0.000 2.515 407 A HA 0.748 5.069 4.320 0.001 0.000 0.298 407 A C -1.686 175.491 177.584 -0.679 0.000 1.059 407 A CA -0.491 51.090 52.037 -0.761 0.000 0.698 407 A CB 2.010 20.455 19.000 -0.926 0.000 1.289 407 A HN 0.712 nan 8.150 nan 0.000 0.404 408 Q N 0.987 120.465 119.800 -0.536 0.000 2.375 408 Q HA 0.729 5.070 4.340 0.001 0.000 0.271 408 Q C -1.936 173.809 176.000 -0.426 0.000 1.074 408 Q CA -0.503 55.096 55.803 -0.340 0.000 0.808 408 Q CB 1.478 30.118 28.738 -0.163 0.000 1.327 408 Q HN 0.609 nan 8.270 nan 0.000 0.441 409 F N 1.931 121.908 119.950 0.044 0.000 2.470 409 F HA 0.570 5.097 4.527 0.001 0.000 0.329 409 F C -0.758 175.136 175.800 0.157 0.000 1.072 409 F CA -0.582 57.475 58.000 0.094 0.000 0.989 409 F CB 1.477 40.526 39.000 0.082 0.000 1.193 409 F HN 0.517 nan 8.300 nan 0.000 0.481 410 Y N 0.895 121.318 120.300 0.205 0.000 2.513 410 Y HA 0.690 5.241 4.550 0.001 0.000 0.340 410 Y C -1.960 174.002 175.900 0.102 0.000 1.055 410 Y CA -1.054 57.110 58.100 0.108 0.000 1.020 410 Y CB 1.613 40.105 38.460 0.054 0.000 1.301 410 Y HN 0.352 nan 8.280 nan 0.000 0.453 411 V N 4.451 124.163 119.914 -0.337 0.000 2.540 411 V HA 0.708 4.829 4.120 0.001 0.000 0.302 411 V C -0.791 175.089 176.094 -0.357 0.000 1.035 411 V CA -0.568 61.606 62.300 -0.210 0.000 0.873 411 V CB 1.591 33.333 31.823 -0.135 0.000 0.992 411 V HN 0.722 nan 8.190 nan 0.000 0.428 412 S N 3.884 119.525 115.700 -0.099 0.000 2.572 412 S HA 0.447 4.918 4.470 0.001 0.000 0.274 412 S C -0.074 174.532 174.600 0.011 0.000 1.150 412 S CA -0.617 57.559 58.200 -0.040 0.000 0.944 412 S CB 0.794 64.064 63.200 0.117 0.000 1.071 412 S HN 0.870 nan 8.310 nan 0.000 0.479 413 N N 2.810 121.509 118.700 -0.002 0.000 2.716 413 N HA -0.200 4.541 4.740 0.001 0.000 0.250 413 N C 0.833 176.347 175.510 0.007 0.000 1.033 413 N CA 1.381 54.436 53.050 0.007 0.000 0.727 413 N CB -1.573 36.928 38.487 0.022 0.000 0.950 413 N HN 1.577 nan 8.380 nan 0.000 0.541 414 G N -0.721 108.076 108.800 -0.006 0.000 2.166 414 G HA2 -0.334 3.627 3.960 0.001 0.000 0.260 414 G HA3 -0.334 3.627 3.960 0.001 0.000 0.260 414 G C -0.196 174.711 174.900 0.011 0.000 0.986 414 G CA 0.891 45.989 45.100 -0.004 0.000 0.683 414 G HN 0.642 nan 8.290 nan 0.000 0.527 415 E N -0.682 119.534 120.200 0.026 0.000 2.166 415 E HA 0.563 4.913 4.350 0.001 0.000 0.275 415 E C -0.482 176.165 176.600 0.079 0.000 0.941 415 E CA -1.044 55.388 56.400 0.054 0.000 0.784 415 E CB 2.090 31.831 29.700 0.069 0.000 1.115 415 E HN 0.148 nan 8.360 nan 0.000 0.399 416 L N 2.343 123.622 121.223 0.094 0.000 2.276 416 L HA 0.314 4.655 4.340 0.001 0.000 0.286 416 L C -0.702 176.291 176.870 0.205 0.000 1.061 416 L CA 0.239 55.168 54.840 0.148 0.000 0.807 416 L CB 1.217 43.349 42.059 0.122 0.000 1.177 416 L HN 0.347 nan 8.230 nan 0.000 0.429 417 S N 3.486 119.346 115.700 0.266 0.000 2.621 417 S HA 0.688 5.158 4.470 0.001 0.000 0.302 417 S C -1.234 173.491 174.600 0.208 0.000 1.093 417 S CA -0.583 57.751 58.200 0.222 0.000 1.017 417 S CB 1.613 64.931 63.200 0.197 0.000 1.077 417 S HN 0.826 nan 8.310 nan 0.000 0.517 418 C N 2.914 122.248 119.300 0.056 0.000 2.609 418 C HA 0.781 5.241 4.460 0.001 0.000 0.313 418 C C -0.796 174.087 174.990 -0.177 0.000 1.175 418 C CA -0.694 58.214 59.018 -0.183 0.000 1.434 418 C CB 0.747 28.366 27.740 -0.201 0.000 2.005 418 C HN 0.956 nan 8.230 nan 0.000 0.471 419 M N 6.026 125.461 119.600 -0.274 0.000 2.167 419 M HA 0.650 5.131 4.480 0.001 0.000 0.333 419 M C -1.208 174.916 176.300 -0.293 0.000 1.030 419 M CA -0.397 54.777 55.300 -0.211 0.000 0.963 419 M CB 1.216 33.720 32.600 -0.161 0.000 1.589 419 M HN 0.712 nan 8.290 nan 0.000 0.431 420 L N 6.268 127.312 121.223 -0.299 0.000 2.289 420 L HA 0.494 4.835 4.340 0.001 0.000 0.285 420 L C -2.004 174.752 176.870 -0.189 0.000 1.049 420 L CA -0.116 54.457 54.840 -0.445 0.000 0.804 420 L CB 0.903 42.484 42.059 -0.798 0.000 1.195 420 L HN 0.742 nan 8.230 nan 0.000 0.428 421 Y N 4.452 124.608 120.300 -0.240 0.000 2.331 421 Y HA 0.516 5.067 4.550 0.002 0.000 0.338 421 Y C -0.575 175.300 175.900 -0.042 0.000 0.976 421 Y CA -0.217 57.814 58.100 -0.115 0.000 1.137 421 Y CB 1.028 39.410 38.460 -0.129 0.000 1.172 421 Y HN 0.747 nan 8.280 nan 0.000 0.478 422 Q N 6.436 125.991 119.800 -0.409 0.000 2.310 422 Q HA 0.304 4.645 4.340 0.001 0.000 0.270 422 Q C 0.391 176.223 176.000 -0.280 0.000 1.025 422 Q CA -0.781 54.953 55.803 -0.116 0.000 0.772 422 Q CB 1.238 30.045 28.738 0.115 0.000 1.253 422 Q HN 0.973 nan 8.270 nan 0.000 0.450 423 R N 1.181 121.668 120.500 -0.023 0.000 2.119 423 R HA 0.127 4.468 4.340 0.001 0.000 0.222 423 R C 0.355 176.705 176.300 0.082 0.000 1.088 423 R CA 0.648 56.773 56.100 0.041 0.000 0.984 423 R CB 0.309 30.666 30.300 0.095 0.000 0.884 423 R HN 0.270 nan 8.270 nan 0.000 0.447 424 S N -0.081 115.690 115.700 0.119 0.000 2.677 424 S HA 0.434 4.905 4.470 0.001 0.000 0.283 424 S C -1.479 173.195 174.600 0.124 0.000 1.159 424 S CA -0.882 57.436 58.200 0.195 0.000 1.001 424 S CB 1.516 64.876 63.200 0.267 0.000 1.032 424 S HN 0.333 nan 8.310 nan 0.000 0.487 425 C N 4.076 123.321 119.300 -0.092 0.000 2.386 425 C HA 0.460 4.921 4.460 0.001 0.000 0.318 425 C C -0.181 174.451 174.990 -0.597 0.000 1.128 425 C CA -1.036 57.856 59.018 -0.209 0.000 1.438 425 C CB -0.243 27.398 27.740 -0.165 0.000 1.987 425 C HN 0.947 nan 8.230 nan 0.000 0.426 426 D N 3.274 123.488 120.400 -0.310 0.000 2.338 426 D HA 0.179 4.820 4.640 0.001 0.000 0.255 426 D C 1.264 177.544 176.300 -0.033 0.000 1.237 426 D CA -0.121 53.755 54.000 -0.207 0.000 0.883 426 D CB 0.684 41.570 40.800 0.143 0.000 1.087 426 D HN 0.361 nan 8.370 nan 0.000 0.485 427 M N 3.021 122.588 119.600 -0.054 0.000 2.229 427 M HA 0.054 4.535 4.480 0.001 0.000 0.264 427 M C 2.023 178.487 176.300 0.273 0.000 1.063 427 M CA 0.910 56.271 55.300 0.102 0.000 1.114 427 M CB -1.085 31.499 32.600 -0.028 0.000 1.387 427 M HN 0.573 nan 8.290 nan 0.000 0.420 428 G N -0.097 108.848 108.800 0.242 0.000 2.414 428 G HA2 -0.082 3.878 3.960 0.001 0.000 0.215 428 G HA3 -0.082 3.878 3.960 0.001 0.000 0.215 428 G C 1.636 176.700 174.900 0.274 0.000 1.188 428 G CA 0.567 45.850 45.100 0.305 0.000 0.783 428 G HN 0.398 nan 8.290 nan 0.000 0.537 429 L N -0.861 120.505 121.223 0.239 0.000 2.588 429 L HA 0.310 4.650 4.340 0.001 0.000 0.194 429 L C 2.993 179.971 176.870 0.180 0.000 1.070 429 L CA 0.702 55.659 54.840 0.195 0.000 0.852 429 L CB -0.184 41.965 42.059 0.149 0.000 1.199 429 L HN 0.259 nan 8.230 nan 0.000 0.486 430 G N -0.162 108.727 108.800 0.149 0.000 2.421 430 G HA2 -0.196 3.765 3.960 0.001 0.000 0.216 430 G HA3 -0.196 3.765 3.960 0.001 0.000 0.216 430 G C 1.509 176.542 174.900 0.222 0.000 1.171 430 G CA 1.127 46.313 45.100 0.143 0.000 0.775 430 G HN 0.115 nan 8.290 nan 0.000 0.543 431 V N 2.079 122.118 119.914 0.209 0.000 2.295 431 V HA -0.096 4.025 4.120 0.001 0.000 0.246 431 V C 0.322 176.524 176.094 0.181 0.000 1.049 431 V CA 2.266 64.709 62.300 0.239 0.000 1.024 431 V CB -0.932 31.028 31.823 0.229 0.000 0.648 431 V HN 0.295 nan 8.190 nan 0.000 0.447 432 P HA -0.171 nan 4.420 nan 0.000 0.216 432 P C 1.673 178.998 177.300 0.041 0.000 1.150 432 P CA 1.427 64.501 63.100 -0.042 0.000 0.837 432 P CB -0.111 31.557 31.700 -0.053 0.000 0.786 433 F N 0.664 120.619 119.950 0.009 0.000 2.102 433 F HA -0.176 4.352 4.527 0.001 0.000 0.298 433 F C 1.899 177.697 175.800 -0.004 0.000 1.105 433 F CA 1.594 59.601 58.000 0.012 0.000 1.239 433 F CB -0.502 38.521 39.000 0.039 0.000 0.991 433 F HN -0.134 nan 8.300 nan 0.000 0.474 434 N N 0.500 119.363 118.700 0.271 0.000 2.331 434 N HA -0.090 4.650 4.740 0.001 0.000 0.180 434 N C 2.043 177.575 175.510 0.037 0.000 1.019 434 N CA 1.280 54.428 53.050 0.163 0.000 0.881 434 N CB -0.297 38.278 38.487 0.146 0.000 0.972 434 N HN 0.354 nan 8.380 nan 0.000 0.435 435 I N 1.395 121.940 120.570 -0.042 0.000 2.127 435 I HA -0.271 3.900 4.170 0.001 0.000 0.241 435 I C 2.385 178.380 176.117 -0.204 0.000 1.075 435 I CA 1.243 62.421 61.300 -0.203 0.000 1.334 435 I CB -0.339 37.410 38.000 -0.418 0.000 1.040 435 I HN 0.055 nan 8.210 nan 0.000 0.405 436 A N -0.429 122.272 122.820 -0.199 0.000 1.902 436 A HA -0.251 4.070 4.320 0.001 0.000 0.217 436 A C 2.481 180.031 177.584 -0.056 0.000 1.181 436 A CA 2.276 54.232 52.037 -0.135 0.000 0.623 436 A CB -0.850 18.082 19.000 -0.113 0.000 0.818 436 A HN 0.411 nan 8.150 nan 0.000 0.443 437 S N -1.791 113.846 115.700 -0.105 0.000 2.356 437 S HA -0.170 4.301 4.470 0.001 0.000 0.223 437 S C 1.836 176.391 174.600 -0.075 0.000 1.032 437 S CA 1.633 59.768 58.200 -0.108 0.000 1.005 437 S CB -0.465 62.711 63.200 -0.040 0.000 0.867 437 S HN 0.626 nan 8.310 nan 0.000 0.449 438 Y N 1.313 121.589 120.300 -0.039 0.000 2.519 438 Y HA 0.318 4.869 4.550 0.001 0.000 0.287 438 Y C 2.370 178.277 175.900 0.011 0.000 1.128 438 Y CA 0.307 58.408 58.100 0.001 0.000 1.282 438 Y CB -0.511 37.902 38.460 -0.078 0.000 1.027 438 Y HN 0.354 nan 8.280 nan 0.000 0.551 439 A N 0.038 122.906 122.820 0.080 0.000 1.858 439 A HA -0.194 4.127 4.320 0.001 0.000 0.216 439 A C 2.136 179.771 177.584 0.085 0.000 1.190 439 A CA 1.662 53.723 52.037 0.041 0.000 0.617 439 A CB -1.056 17.903 19.000 -0.069 0.000 0.827 439 A HN 0.386 nan 8.150 nan 0.000 0.443 440 L N -0.537 120.748 121.223 0.102 0.000 1.990 440 L HA -0.172 4.169 4.340 0.001 0.000 0.213 440 L C 2.314 179.249 176.870 0.109 0.000 1.072 440 L CA 2.352 57.279 54.840 0.144 0.000 0.755 440 L CB -0.792 41.342 42.059 0.126 0.000 0.889 440 L HN 0.394 nan 8.230 nan 0.000 0.432 441 L N -0.972 120.295 121.223 0.072 0.000 2.012 441 L HA -0.222 4.119 4.340 0.001 0.000 0.210 441 L C 2.315 179.285 176.870 0.167 0.000 1.073 441 L CA 2.605 57.503 54.840 0.097 0.000 0.748 441 L CB -1.103 40.981 42.059 0.041 0.000 0.891 441 L HN 0.396 nan 8.230 nan 0.000 0.431 442 T N -0.117 114.569 114.554 0.219 0.000 2.746 442 T HA -0.148 4.203 4.350 0.001 0.000 0.267 442 T C 1.966 176.749 174.700 0.140 0.000 1.039 442 T CA 1.949 64.209 62.100 0.266 0.000 1.142 442 T CB -0.397 68.623 68.868 0.254 0.000 0.866 442 T HN 0.333 nan 8.240 nan 0.000 0.444 443 I N 0.777 121.414 120.570 0.112 0.000 2.127 443 I HA -0.169 4.002 4.170 0.001 0.000 0.241 443 I C 2.328 178.439 176.117 -0.010 0.000 1.075 443 I CA 1.339 62.685 61.300 0.077 0.000 1.334 443 I CB -0.423 37.666 38.000 0.148 0.000 1.040 443 I HN 0.184 nan 8.210 nan 0.000 0.405 444 L N 0.057 121.274 121.223 -0.010 0.000 2.046 444 L HA -0.226 4.115 4.340 0.001 0.000 0.208 444 L C 2.478 179.266 176.870 -0.138 0.000 1.077 444 L CA 1.019 55.777 54.840 -0.136 0.000 0.747 444 L CB -0.448 41.547 42.059 -0.106 0.000 0.896 444 L HN 0.259 nan 8.230 nan 0.000 0.432 445 I N 0.057 120.578 120.570 -0.082 0.000 2.315 445 I HA -0.192 3.979 4.170 0.001 0.000 0.248 445 I C 2.815 178.848 176.117 -0.140 0.000 1.117 445 I CA 1.393 62.605 61.300 -0.147 0.000 1.404 445 I CB -1.527 36.313 38.000 -0.265 0.000 1.071 445 I HN 0.158 nan 8.210 nan 0.000 0.419 446 A N 1.015 123.784 122.820 -0.085 0.000 1.902 446 A HA -0.214 4.107 4.320 0.001 0.000 0.217 446 A C 2.362 179.889 177.584 -0.095 0.000 1.181 446 A CA 1.509 53.506 52.037 -0.067 0.000 0.623 446 A CB -0.484 18.505 19.000 -0.018 0.000 0.818 446 A HN 0.341 nan 8.150 nan 0.000 0.443 447 K N -0.414 119.902 120.400 -0.139 0.000 2.097 447 K HA -0.044 4.277 4.320 0.001 0.000 0.206 447 K C 2.043 178.566 176.600 -0.128 0.000 1.049 447 K CA 1.104 57.288 56.287 -0.172 0.000 0.933 447 K CB -0.260 32.055 32.500 -0.307 0.000 0.717 447 K HN 0.444 nan 8.250 nan 0.000 0.442 448 A N 0.840 123.587 122.820 -0.122 0.000 2.167 448 A HA -0.056 4.265 4.320 0.001 0.000 0.214 448 A C 1.722 179.257 177.584 -0.081 0.000 1.151 448 A CA 1.432 53.417 52.037 -0.087 0.000 0.735 448 A CB -0.273 18.680 19.000 -0.079 0.000 0.802 448 A HN 0.408 nan 8.150 nan 0.000 0.467 449 T N -5.752 108.748 114.554 -0.089 0.000 3.043 449 T HA 0.436 4.787 4.350 0.001 0.000 0.272 449 T C 1.144 175.806 174.700 -0.063 0.000 0.990 449 T CA 0.896 62.947 62.100 -0.081 0.000 0.897 449 T CB 0.226 69.033 68.868 -0.102 0.000 1.111 449 T HN 1.552 nan 8.240 nan 0.000 0.529 450 G N 1.587 110.351 108.800 -0.060 0.000 2.176 450 G HA2 -0.202 3.759 3.960 0.001 0.000 0.252 450 G HA3 -0.202 3.759 3.960 0.001 0.000 0.252 450 G C -0.176 174.701 174.900 -0.039 0.000 1.024 450 G CA 0.385 45.457 45.100 -0.047 0.000 0.755 450 G HN 0.644 nan 8.290 nan 0.000 0.507 451 L N -1.216 119.983 121.223 -0.041 0.000 2.313 451 L HA 0.725 5.066 4.340 0.001 0.000 0.268 451 L C 0.993 177.854 176.870 -0.014 0.000 1.010 451 L CA -1.319 53.506 54.840 -0.024 0.000 0.814 451 L CB 1.316 43.363 42.059 -0.021 0.000 1.304 451 L HN 0.049 nan 8.230 nan 0.000 0.441 452 R N 0.792 121.295 120.500 0.006 0.000 2.428 452 R HA 0.389 4.730 4.340 0.001 0.000 0.294 452 R C -2.453 173.870 176.300 0.040 0.000 1.000 452 R CA -1.782 54.330 56.100 0.020 0.000 0.960 452 R CB 1.104 31.420 30.300 0.028 0.000 1.076 452 R HN 0.242 nan 8.270 nan 0.000 0.475 453 P HA -0.002 nan 4.420 nan 0.000 0.267 453 P C -0.225 177.123 177.300 0.080 0.000 1.205 453 P CA 0.245 63.389 63.100 0.073 0.000 0.765 453 P CB 1.063 32.807 31.700 0.073 0.000 0.828 454 G N 2.789 111.649 108.800 0.098 0.000 2.727 454 G HA2 0.200 4.161 3.960 0.001 0.000 0.212 454 G HA3 0.200 4.161 3.960 0.001 0.000 0.212 454 G C -0.575 174.383 174.900 0.096 0.000 2.076 454 G CA -0.062 45.096 45.100 0.097 0.000 0.744 454 G HN 0.472 nan 8.290 nan 0.000 0.775 455 E N -0.652 119.610 120.200 0.103 0.000 2.256 455 E HA 0.525 4.876 4.350 0.001 0.000 0.267 455 E C -1.670 174.990 176.600 0.100 0.000 0.892 455 E CA -0.745 55.710 56.400 0.092 0.000 0.775 455 E CB 2.940 32.673 29.700 0.055 0.000 1.207 455 E HN 0.196 nan 8.360 nan 0.000 0.420 456 L N 2.733 124.034 121.223 0.130 0.000 2.282 456 L HA 0.396 4.737 4.340 0.001 0.000 0.288 456 L C -1.373 175.581 176.870 0.140 0.000 1.033 456 L CA -0.571 54.347 54.840 0.130 0.000 0.807 456 L CB 1.421 43.572 42.059 0.155 0.000 1.209 456 L HN 0.294 nan 8.230 nan 0.000 0.423 457 V N 4.978 124.925 119.914 0.055 0.000 2.459 457 V HA 0.379 4.500 4.120 0.001 0.000 0.295 457 V C -0.619 175.516 176.094 0.069 0.000 1.029 457 V CA -0.569 61.755 62.300 0.040 0.000 0.874 457 V CB 1.290 33.090 31.823 -0.039 0.000 0.985 457 V HN 0.827 nan 8.190 nan 0.000 0.438 458 H N 2.425 121.498 119.070 0.005 0.000 2.638 458 H HA 0.478 5.035 4.556 0.001 0.000 0.317 458 H C -0.646 174.631 175.328 -0.085 0.000 1.006 458 H CA -0.452 55.582 56.048 -0.024 0.000 1.222 458 H CB 1.126 30.948 29.762 0.101 0.000 1.419 458 H HN 0.693 nan 8.280 nan 0.000 0.489 459 T N 6.588 121.206 114.554 0.106 0.000 2.749 459 T HA 0.268 4.619 4.350 0.001 0.000 0.287 459 T C -0.457 174.067 174.700 -0.294 0.000 0.970 459 T CA -0.613 61.417 62.100 -0.117 0.000 0.980 459 T CB 0.512 69.324 68.868 -0.093 0.000 0.924 459 T HN 0.302 nan 8.240 nan 0.000 0.456 460 L N 2.731 123.737 121.223 -0.362 0.000 2.317 460 L HA 0.635 4.976 4.340 0.001 0.000 0.281 460 L C 1.220 177.826 176.870 -0.440 0.000 1.024 460 L CA -0.232 54.373 54.840 -0.391 0.000 0.810 460 L CB 1.351 43.206 42.059 -0.340 0.000 1.240 460 L HN 0.773 nan 8.230 nan 0.000 0.427 461 G N 0.513 109.074 108.800 -0.398 0.000 2.672 461 G HA2 -0.055 3.906 3.960 0.001 0.000 0.200 461 G HA3 -0.055 3.906 3.960 0.001 0.000 0.200 461 G C -0.190 174.707 174.900 -0.005 0.000 1.819 461 G CA -0.053 44.889 45.100 -0.264 0.000 0.902 461 G HN 0.580 nan 8.290 nan 0.000 0.512 462 D N 1.822 122.360 120.400 0.230 0.000 2.359 462 D HA 0.434 5.074 4.640 0.001 0.000 0.250 462 D C -0.067 176.325 176.300 0.153 0.000 1.264 462 D CA -0.162 54.007 54.000 0.280 0.000 0.911 462 D CB 0.451 41.412 40.800 0.268 0.000 1.056 462 D HN 0.295 nan 8.370 nan 0.000 0.499 463 A N 5.613 128.459 122.820 0.044 0.000 2.260 463 A HA 0.524 4.845 4.320 0.001 0.000 0.314 463 A C -0.287 177.249 177.584 -0.079 0.000 1.257 463 A CA -0.609 51.357 52.037 -0.118 0.000 0.871 463 A CB 0.549 19.464 19.000 -0.141 0.000 1.166 463 A HN 0.752 nan 8.150 nan 0.000 0.522 464 H N -0.297 118.715 119.070 -0.098 0.000 2.985 464 H HA 0.778 5.335 4.556 0.001 0.000 0.360 464 H C -1.872 173.343 175.328 -0.188 0.000 1.221 464 H CA -1.079 54.874 56.048 -0.157 0.000 1.121 464 H CB 1.323 30.954 29.762 -0.220 0.000 1.854 464 H HN 0.336 nan 8.280 nan 0.000 0.551 465 V N 1.801 121.682 119.914 -0.054 0.000 2.656 465 V HA 0.174 4.295 4.120 0.001 0.000 0.307 465 V C -0.886 175.128 176.094 -0.133 0.000 1.051 465 V CA -0.818 61.445 62.300 -0.062 0.000 0.893 465 V CB 1.656 33.479 31.823 -0.000 0.000 0.999 465 V HN 0.614 nan 8.190 nan 0.000 0.426 466 Y N 1.797 122.080 120.300 -0.029 0.000 2.411 466 Y HA 0.067 4.618 4.550 0.001 0.000 0.333 466 Y C 1.858 177.738 175.900 -0.033 0.000 1.186 466 Y CA 0.535 58.566 58.100 -0.115 0.000 1.381 466 Y CB 0.986 39.222 38.460 -0.373 0.000 1.273 466 Y HN 0.675 nan 8.280 nan 0.000 0.546 467 S N 1.476 117.250 115.700 0.123 0.000 2.419 467 S HA -0.199 4.272 4.470 0.001 0.000 0.233 467 S C 1.668 176.339 174.600 0.117 0.000 1.016 467 S CA 1.498 59.747 58.200 0.082 0.000 0.974 467 S CB -0.256 62.970 63.200 0.043 0.000 0.786 467 S HN 0.835 nan 8.310 nan 0.000 0.492 468 N N 0.691 119.489 118.700 0.164 0.000 2.376 468 N HA -0.055 4.685 4.740 0.001 0.000 0.177 468 N C 0.913 176.571 175.510 0.247 0.000 1.024 468 N CA 1.008 54.165 53.050 0.179 0.000 0.893 468 N CB -0.913 37.675 38.487 0.168 0.000 0.980 468 N HN 0.314 nan 8.380 nan 0.000 0.439 469 H N -0.066 119.064 119.070 0.100 0.000 2.567 469 H HA 0.146 4.703 4.556 0.001 0.000 0.276 469 H C 1.622 176.989 175.328 0.065 0.000 1.016 469 H CA 0.021 56.125 56.048 0.093 0.000 1.186 469 H CB -0.171 29.679 29.762 0.148 0.000 1.351 469 H HN 0.022 nan 8.280 nan 0.000 0.605 470 V N 0.364 120.375 119.914 0.162 0.000 2.255 470 V HA -0.239 3.882 4.120 0.001 0.000 0.247 470 V C 2.321 178.447 176.094 0.053 0.000 1.051 470 V CA 1.869 64.222 62.300 0.087 0.000 1.018 470 V CB -0.099 31.760 31.823 0.060 0.000 0.641 470 V HN 0.420 nan 8.190 nan 0.000 0.445 471 E N -0.614 119.612 120.200 0.044 0.000 2.047 471 E HA -0.132 4.219 4.350 0.001 0.000 0.191 471 E C 0.327 176.932 176.600 0.007 0.000 0.987 471 E CA 1.534 57.946 56.400 0.020 0.000 0.799 471 E CB -1.686 28.024 29.700 0.016 0.000 0.752 471 E HN 0.488 nan 8.360 nan 0.000 0.449 472 P HA -0.130 nan 4.420 nan 0.000 0.215 472 P C 1.515 178.815 177.300 -0.000 0.000 1.157 472 P CA 1.183 64.267 63.100 -0.027 0.000 0.874 472 P CB -0.096 31.542 31.700 -0.103 0.000 0.790 473 C N -1.456 117.861 119.300 0.028 0.000 2.440 473 C HA -0.030 4.431 4.460 0.001 0.000 0.278 473 C C 2.572 177.568 174.990 0.010 0.000 1.295 473 C CA 0.714 59.754 59.018 0.037 0.000 1.738 473 C CB -1.913 25.861 27.740 0.056 0.000 1.987 473 C HN 0.290 nan 8.230 nan 0.000 0.492 474 N N 0.758 119.461 118.700 0.006 0.000 2.166 474 N HA -0.104 4.637 4.740 0.001 0.000 0.186 474 N C 1.794 177.295 175.510 -0.014 0.000 1.019 474 N CA 1.032 54.078 53.050 -0.006 0.000 0.856 474 N CB -0.408 38.077 38.487 -0.003 0.000 0.993 474 N HN 0.556 nan 8.380 nan 0.000 0.426 475 E N 0.999 121.192 120.200 -0.012 0.000 2.038 475 E HA -0.217 4.134 4.350 0.001 0.000 0.195 475 E C 1.810 178.389 176.600 -0.036 0.000 1.000 475 E CA 0.887 57.274 56.400 -0.021 0.000 0.803 475 E CB -0.239 29.451 29.700 -0.017 0.000 0.750 475 E HN 0.487 nan 8.360 nan 0.000 0.448 476 Q N 0.283 120.070 119.800 -0.022 0.000 2.170 476 Q HA -0.116 4.225 4.340 0.001 0.000 0.203 476 Q C 2.283 178.258 176.000 -0.041 0.000 0.976 476 Q CA 0.713 56.500 55.803 -0.026 0.000 0.858 476 Q CB -0.024 28.734 28.738 0.033 0.000 0.907 476 Q HN 0.247 nan 8.270 nan 0.000 0.433 477 L N 0.167 121.373 121.223 -0.030 0.000 2.376 477 L HA -0.128 4.213 4.340 0.001 0.000 0.219 477 L C 2.082 178.922 176.870 -0.049 0.000 1.133 477 L CA 0.731 55.550 54.840 -0.034 0.000 0.816 477 L CB -0.168 41.872 42.059 -0.032 0.000 0.933 477 L HN 0.112 nan 8.230 nan 0.000 0.449 478 K N 0.285 120.648 120.400 -0.062 0.000 2.209 478 K HA -0.073 4.248 4.320 0.001 0.000 0.204 478 K C 0.622 177.160 176.600 -0.104 0.000 1.048 478 K CA 0.698 56.945 56.287 -0.068 0.000 0.940 478 K CB -0.029 32.434 32.500 -0.062 0.000 0.729 478 K HN 0.294 nan 8.250 nan 0.000 0.451 479 R N 1.302 121.696 120.500 -0.177 0.000 2.438 479 R HA 0.143 4.484 4.340 0.001 0.000 0.287 479 R C -0.541 175.658 176.300 -0.169 0.000 1.077 479 R CA -0.347 55.559 56.100 -0.324 0.000 1.034 479 R CB 1.139 31.035 30.300 -0.675 0.000 0.993 479 R HN -0.146 nan 8.270 nan 0.000 0.459 480 V N 6.152 126.018 119.914 -0.080 0.000 2.427 480 V HA 0.150 4.271 4.120 0.001 0.000 0.268 480 V C -1.937 174.234 176.094 0.129 0.000 1.046 480 V CA -1.913 60.409 62.300 0.036 0.000 0.970 480 V CB 0.913 32.781 31.823 0.074 0.000 1.001 480 V HN 0.646 nan 8.190 nan 0.000 0.476 481 P HA 0.196 nan 4.420 nan 0.000 0.265 481 P C -0.049 177.300 177.300 0.081 0.000 1.193 481 P CA 0.079 63.250 63.100 0.117 0.000 0.765 481 P CB 0.576 32.290 31.700 0.023 0.000 0.823 482 R N 1.743 122.305 120.500 0.103 0.000 2.531 482 R HA 0.645 4.986 4.340 0.001 0.000 0.260 482 R C 0.277 176.515 176.300 -0.104 0.000 1.144 482 R CA -0.858 55.243 56.100 0.002 0.000 1.171 482 R CB 0.432 30.716 30.300 -0.026 0.000 1.199 482 R HN 0.459 nan 8.270 nan 0.000 0.594 483 A N 1.091 123.857 122.820 -0.090 0.000 2.445 483 A HA 0.219 4.540 4.320 0.001 0.000 0.242 483 A C -0.521 177.045 177.584 -0.030 0.000 1.075 483 A CA -0.151 51.811 52.037 -0.125 0.000 0.777 483 A CB -0.024 18.949 19.000 -0.046 0.000 1.013 483 A HN 0.390 nan 8.150 nan 0.000 0.493 484 F N 2.529 122.442 119.950 -0.062 0.000 2.490 484 F HA 0.295 4.823 4.527 0.001 0.000 0.336 484 F C -1.084 174.574 175.800 -0.237 0.000 1.178 484 F CA -1.589 56.338 58.000 -0.123 0.000 1.301 484 F CB 0.018 38.909 39.000 -0.182 0.000 1.175 484 F HN 0.425 nan 8.300 nan 0.000 0.593 485 P HA 0.236 nan 4.420 nan 0.000 0.312 485 P C -1.604 175.421 177.300 -0.459 0.000 1.308 485 P CA -0.047 62.993 63.100 -0.100 0.000 0.743 485 P CB 0.951 32.607 31.700 -0.073 0.000 1.364 486 Y N -2.259 117.981 120.300 -0.099 0.000 2.581 486 Y HA 0.544 5.095 4.550 0.001 0.000 0.345 486 Y C -0.192 175.588 175.900 -0.200 0.000 1.036 486 Y CA -1.024 57.013 58.100 -0.105 0.000 1.042 486 Y CB 1.497 39.942 38.460 -0.024 0.000 1.289 486 Y HN 0.061 nan 8.280 nan 0.000 0.471 487 L N 3.615 124.823 121.223 -0.026 0.000 2.313 487 L HA 0.832 5.173 4.340 0.001 0.000 0.283 487 L C -0.948 175.925 176.870 0.006 0.000 1.013 487 L CA -0.761 53.999 54.840 -0.133 0.000 0.816 487 L CB 1.252 43.191 42.059 -0.200 0.000 1.236 487 L HN 0.489 nan 8.230 nan 0.000 0.419 488 V N 1.209 121.093 119.914 -0.050 0.000 2.769 488 V HA 0.626 4.747 4.120 0.001 0.000 0.312 488 V C -0.754 175.317 176.094 -0.038 0.000 1.061 488 V CA -0.709 61.626 62.300 0.058 0.000 0.931 488 V CB 1.744 33.600 31.823 0.055 0.000 1.010 488 V HN 0.549 nan 8.190 nan 0.000 0.433 489 F N 3.105 123.091 119.950 0.059 0.000 2.385 489 F HA 0.600 5.128 4.527 0.001 0.000 0.360 489 F C 1.483 177.327 175.800 0.073 0.000 1.122 489 F CA -0.549 57.504 58.000 0.088 0.000 1.090 489 F CB 1.773 40.842 39.000 0.115 0.000 1.150 489 F HN 0.778 nan 8.300 nan 0.000 0.472 490 R N 2.608 123.200 120.500 0.153 0.000 2.148 490 R HA 0.095 4.436 4.340 0.001 0.000 0.223 490 R C 0.447 176.823 176.300 0.128 0.000 1.088 490 R CA 1.022 57.187 56.100 0.108 0.000 0.985 490 R CB 0.327 30.661 30.300 0.057 0.000 0.880 490 R HN 0.608 nan 8.270 nan 0.000 0.451 491 R N -0.388 120.228 120.500 0.193 0.000 2.692 491 R HA 0.212 4.553 4.340 0.001 0.000 0.269 491 R C -1.690 174.737 176.300 0.211 0.000 1.030 491 R CA -0.634 55.551 56.100 0.143 0.000 0.882 491 R CB 1.858 32.208 30.300 0.082 0.000 1.250 491 R HN 0.038 nan 8.270 nan 0.000 0.465 492 E N 0.706 120.957 120.200 0.085 0.000 2.339 492 E HA 0.571 4.922 4.350 0.001 0.000 0.262 492 E C -1.012 175.466 176.600 -0.203 0.000 0.934 492 E CA -0.603 55.823 56.400 0.044 0.000 0.802 492 E CB 1.370 31.103 29.700 0.054 0.000 1.275 492 E HN 0.350 nan 8.360 nan 0.000 0.427 493 R N 0.691 120.963 120.500 -0.380 0.000 2.837 493 R HA 0.271 4.612 4.340 0.001 0.000 0.271 493 R C 0.419 176.593 176.300 -0.210 0.000 0.993 493 R CA -0.600 55.252 56.100 -0.414 0.000 0.931 493 R CB 1.104 30.921 30.300 -0.805 0.000 1.206 493 R HN 0.719 nan 8.270 nan 0.000 0.474 494 E N 0.524 120.605 120.200 -0.198 0.000 2.152 494 E HA 0.017 4.367 4.350 0.001 0.000 0.192 494 E C -0.509 175.750 176.600 -0.569 0.000 0.983 494 E CA 1.083 57.261 56.400 -0.370 0.000 0.818 494 E CB 0.315 29.773 29.700 -0.403 0.000 0.758 494 E HN 0.263 nan 8.360 nan 0.000 0.467 495 F N -0.361 119.596 119.950 0.012 0.000 2.551 495 F HA 0.181 4.709 4.527 0.001 0.000 0.316 495 F C 0.596 176.491 175.800 0.159 0.000 1.089 495 F CA -0.902 57.137 58.000 0.065 0.000 0.915 495 F CB 1.410 40.438 39.000 0.047 0.000 1.186 495 F HN -0.155 nan 8.300 nan 0.000 0.456 496 L N 1.701 123.150 121.223 0.376 0.000 2.079 496 L HA -0.152 4.189 4.340 0.001 0.000 0.210 496 L C 1.724 178.816 176.870 0.371 0.000 1.081 496 L CA 2.122 57.180 54.840 0.363 0.000 0.752 496 L CB -0.564 41.602 42.059 0.179 0.000 0.896 496 L HN 0.651 nan 8.230 nan 0.000 0.433 497 E N -0.531 119.833 120.200 0.274 0.000 2.418 497 E HA -0.113 4.238 4.350 0.001 0.000 0.197 497 E C 1.239 177.954 176.600 0.191 0.000 1.026 497 E CA 0.788 57.306 56.400 0.196 0.000 0.862 497 E CB -0.156 29.617 29.700 0.121 0.000 0.799 497 E HN 0.514 nan 8.360 nan 0.000 0.518 498 D N -0.821 119.708 120.400 0.214 0.000 2.339 498 D HA -0.023 4.617 4.640 0.001 0.000 0.217 498 D C -0.411 175.920 176.300 0.052 0.000 1.050 498 D CA 0.111 54.178 54.000 0.112 0.000 0.856 498 D CB 0.008 40.862 40.800 0.091 0.000 0.922 498 D HN 0.195 nan 8.370 nan 0.000 0.518 499 Y N 1.681 122.050 120.300 0.113 0.000 2.511 499 Y HA 0.119 4.670 4.550 0.001 0.000 0.332 499 Y C 1.119 177.073 175.900 0.089 0.000 1.177 499 Y CA 0.437 58.610 58.100 0.121 0.000 1.422 499 Y CB 0.613 39.169 38.460 0.160 0.000 1.271 499 Y HN -0.219 nan 8.280 nan 0.000 0.550 500 E N 1.211 121.529 120.200 0.196 0.000 2.263 500 E HA 0.093 4.444 4.350 0.001 0.000 0.264 500 E C 0.614 177.273 176.600 0.098 0.000 0.923 500 E CA -0.777 55.689 56.400 0.111 0.000 0.802 500 E CB 1.392 31.127 29.700 0.059 0.000 1.228 500 E HN 0.620 nan 8.360 nan 0.000 0.417 501 E N 1.580 121.795 120.200 0.024 0.000 2.110 501 E HA -0.139 4.212 4.350 0.001 0.000 0.193 501 E C 1.563 178.175 176.600 0.019 0.000 0.988 501 E CA 1.392 57.780 56.400 -0.020 0.000 0.804 501 E CB -0.197 29.443 29.700 -0.099 0.000 0.745 501 E HN 0.791 nan 8.360 nan 0.000 0.458 502 G N 0.611 109.427 108.800 0.027 0.000 2.625 502 G HA2 -0.193 3.768 3.960 0.001 0.000 0.214 502 G HA3 -0.193 3.768 3.960 0.001 0.000 0.214 502 G C 1.005 175.930 174.900 0.042 0.000 1.132 502 G CA 0.557 45.676 45.100 0.032 0.000 0.782 502 G HN 0.209 nan 8.290 nan 0.000 0.538 503 D N 0.091 120.533 120.400 0.071 0.000 2.347 503 D HA 0.067 4.708 4.640 0.001 0.000 0.215 503 D C 1.470 177.793 176.300 0.037 0.000 0.976 503 D CA 0.517 54.587 54.000 0.118 0.000 0.884 503 D CB 0.114 41.069 40.800 0.259 0.000 0.915 503 D HN 0.538 nan 8.370 nan 0.000 0.526 504 M N -1.102 118.448 119.600 -0.084 0.000 2.593 504 M HA 0.670 5.151 4.480 0.001 0.000 0.290 504 M C -1.299 174.928 176.300 -0.123 0.000 1.244 504 M CA -0.896 54.224 55.300 -0.301 0.000 0.857 504 M CB 3.307 35.490 32.600 -0.696 0.000 1.738 504 M HN -0.350 nan 8.290 nan 0.000 0.461 505 E N 1.101 121.202 120.200 -0.166 0.000 2.290 505 E HA 0.547 4.897 4.350 0.001 0.000 0.274 505 E C -1.968 174.508 176.600 -0.208 0.000 0.889 505 E CA -0.720 55.616 56.400 -0.106 0.000 0.760 505 E CB 2.591 32.261 29.700 -0.051 0.000 1.206 505 E HN 0.645 nan 8.360 nan 0.000 0.419 506 V N 6.193 125.925 119.914 -0.304 0.000 2.455 506 V HA 0.290 4.411 4.120 0.001 0.000 0.273 506 V C 0.387 176.387 176.094 -0.157 0.000 1.045 506 V CA -0.122 61.928 62.300 -0.418 0.000 0.976 506 V CB -0.011 31.361 31.823 -0.752 0.000 0.993 506 V HN 0.589 nan 8.190 nan 0.000 0.475 507 I N 0.968 121.496 120.570 -0.069 0.000 2.693 507 I HA 0.648 4.819 4.170 0.001 0.000 0.303 507 I C 0.026 176.221 176.117 0.130 0.000 1.025 507 I CA -0.765 60.558 61.300 0.037 0.000 1.086 507 I CB 1.861 39.884 38.000 0.038 0.000 1.268 507 I HN 0.543 nan 8.210 nan 0.000 0.440 508 D N 1.758 122.237 120.400 0.132 0.000 2.772 508 D HA -0.274 4.367 4.640 0.001 0.000 0.233 508 D C -0.942 175.485 176.300 0.212 0.000 1.143 508 D CA 0.987 55.087 54.000 0.166 0.000 0.700 508 D CB -1.223 39.715 40.800 0.231 0.000 1.076 508 D HN 0.645 nan 8.370 nan 0.000 0.430 509 Y N 0.883 121.192 120.300 0.014 0.000 2.425 509 Y HA 0.461 5.012 4.550 0.001 0.000 0.347 509 Y C -0.064 175.840 175.900 0.008 0.000 0.976 509 Y CA -1.353 56.745 58.100 -0.003 0.000 1.190 509 Y CB 0.815 39.246 38.460 -0.047 0.000 1.136 509 Y HN 0.103 nan 8.280 nan 0.000 0.517 510 A N 9.397 132.116 122.820 -0.169 0.000 3.204 510 A HA 0.448 4.768 4.320 0.001 0.000 0.327 510 A C -2.756 174.613 177.584 -0.358 0.000 0.998 510 A CA -1.367 50.526 52.037 -0.241 0.000 0.891 510 A CB -0.461 18.479 19.000 -0.099 0.000 1.061 510 A HN 0.531 nan 8.150 nan 0.000 0.478 511 P HA 0.248 nan 4.420 nan 0.000 0.276 511 P C -0.568 176.607 177.300 -0.209 0.000 1.252 511 P CA -0.114 62.772 63.100 -0.358 0.000 0.802 511 P CB 0.612 32.030 31.700 -0.470 0.000 1.035 512 Y N 0.309 120.573 120.300 -0.059 0.000 2.426 512 Y HA 0.167 4.717 4.550 0.001 0.000 0.344 512 Y C -1.175 174.715 175.900 -0.017 0.000 1.256 512 Y CA -1.040 57.049 58.100 -0.018 0.000 1.451 512 Y CB -1.109 37.358 38.460 0.012 0.000 1.342 512 Y HN 0.339 nan 8.280 nan 0.000 0.600 513 P HA 0.088 nan 4.420 nan 0.000 0.272 513 P C -2.284 175.073 177.300 0.095 0.000 1.240 513 P CA -0.961 62.195 63.100 0.093 0.000 0.791 513 P CB -0.260 31.488 31.700 0.080 0.000 0.978 514 P HA 0.000 nan 4.420 nan 0.000 0.216 514 P CA 0.000 63.129 63.100 0.048 0.000 0.800 514 P CB 0.000 31.717 31.700 0.029 0.000 0.726