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 3iuk_1_A DATA FIRST_RESID 8 DATA SEQUENCE VRPKSAIDAV ADAYTEKLIE LNPSFATTLG LPGHETEYQD YSPAGAAAHA DATA SEQUENCE EATRLALEAL AGLEPSDDVD AVTLDAXRER LGLELEIHQS GWDAADLNNI DATA SEQUENCE ASPAQDIRAI FDLXPTDTVE HWEHIAGRAA NVPGAIEGYI ASLRAAKDDR DATA SEQUENCE KVAAARQIRI VIEQTGRYAA EDGFFAKXAA DASLGDAPLP AEVQDKLDAG DATA SEQUENCE TSAARSAYSA LGAFLRDELL PVAPEKDAVG RERYSLASRS FIGAEVDLEE DATA SEQUENCE TYAWGVQELE RLISEQEKVA GQIKPGASIE EAKSILNNDP ARQIKGTDAL DATA SEQUENCE KAWXQELSDR AVSELADVHF DIPDVXKTLE CXIAPTDEGG IYYTGPSDDF DATA SEQUENCE SRPGRXWWSV PAGEDTFTTW SETTTVFHEG VPGHHLQVAT ATYRRELLNN DATA SEQUENCE WRRNVCWVSG HGEGWALYAE QLXLELGYLK DPGDHXGXLD GQRXRAARVV DATA SEQUENCE FDIGVHLELP VPERWGTGTW TPEKGFDFLK ANLDISEGQL QFEFTRYLGW DATA SEQUENCE PGQAPSYKVG QRLWEQIRAE LESREGFDLK SFHSKALNIG SVGLDVLRRA DATA SEQUENCE LL 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 8 V HA 0.000 nan 4.120 nan 0.000 0.244 8 V C 0.000 176.090 176.094 -0.006 0.000 1.182 8 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 8 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 9 R N 3.165 123.662 120.500 -0.005 0.000 2.216 9 R HA 0.606 4.947 4.340 0.002 0.000 0.332 9 R C -2.308 173.992 176.300 0.001 0.000 1.056 9 R CA -1.077 55.023 56.100 -0.000 0.000 0.901 9 R CB 1.204 31.506 30.300 0.003 0.000 1.039 9 R HN 0.490 nan 8.270 nan 0.000 0.456 10 P HA 0.153 nan 4.420 nan 0.000 0.278 10 P C -1.155 176.147 177.300 0.004 0.000 1.238 10 P CA -0.369 62.732 63.100 0.002 0.000 0.794 10 P CB 0.940 32.640 31.700 0.000 0.000 0.955 11 K N 0.987 121.390 120.400 0.006 0.000 2.350 11 K HA 0.238 4.560 4.320 0.002 0.000 0.279 11 K C 0.943 177.546 176.600 0.005 0.000 1.027 11 K CA -0.177 56.116 56.287 0.009 0.000 0.969 11 K CB 0.381 32.888 32.500 0.012 0.000 0.954 11 K HN 0.578 nan 8.250 nan 0.000 0.474 12 S N 1.313 117.016 115.700 0.006 0.000 2.713 12 S HA 0.359 4.831 4.470 0.002 0.000 0.277 12 S C 1.202 175.800 174.600 -0.003 0.000 1.168 12 S CA -0.385 57.815 58.200 -0.000 0.000 0.994 12 S CB 1.503 64.702 63.200 -0.002 0.000 1.054 12 S HN 0.606 nan 8.310 nan 0.000 0.555 13 A N 0.370 123.184 122.820 -0.009 0.000 1.933 13 A HA 0.042 4.363 4.320 0.002 0.000 0.218 13 A C 2.016 179.587 177.584 -0.020 0.000 1.175 13 A CA 1.256 53.285 52.037 -0.014 0.000 0.628 13 A CB -1.148 17.841 19.000 -0.018 0.000 0.814 13 A HN 0.799 nan 8.150 nan 0.000 0.444 14 I N -0.079 120.476 120.570 -0.024 0.000 2.252 14 I HA -0.225 3.946 4.170 0.002 0.000 0.245 14 I C 1.760 177.864 176.117 -0.023 0.000 1.102 14 I CA 1.368 62.646 61.300 -0.037 0.000 1.385 14 I CB -0.439 37.536 38.000 -0.042 0.000 1.064 14 I HN 0.265 nan 8.210 nan 0.000 0.414 15 D N 1.210 121.610 120.400 0.000 0.000 2.144 15 D HA -0.162 4.479 4.640 0.002 0.000 0.199 15 D C 2.268 178.584 176.300 0.027 0.000 0.984 15 D CA 1.564 55.579 54.000 0.025 0.000 0.834 15 D CB -0.119 40.700 40.800 0.031 0.000 0.955 15 D HN 0.367 nan 8.370 nan 0.000 0.465 16 A N 0.861 123.688 122.820 0.012 0.000 1.877 16 A HA -0.149 4.172 4.320 0.002 0.000 0.216 16 A C 2.589 180.180 177.584 0.012 0.000 1.186 16 A CA 1.275 53.319 52.037 0.012 0.000 0.620 16 A CB -0.817 18.185 19.000 0.002 0.000 0.822 16 A HN 0.142 nan 8.150 nan 0.000 0.443 17 V N -0.123 119.786 119.914 -0.008 0.000 2.332 17 V HA -0.270 3.851 4.120 0.002 0.000 0.248 17 V C 3.048 179.144 176.094 0.003 0.000 1.055 17 V CA 2.011 64.298 62.300 -0.021 0.000 1.038 17 V CB -1.240 30.541 31.823 -0.070 0.000 0.651 17 V HN 0.631 nan 8.190 nan 0.000 0.450 18 A N -0.249 122.570 122.820 -0.001 0.000 1.902 18 A HA -0.238 4.083 4.320 0.002 0.000 0.217 18 A C 2.001 179.688 177.584 0.171 0.000 1.181 18 A CA 1.998 54.064 52.037 0.048 0.000 0.623 18 A CB -0.580 18.460 19.000 0.066 0.000 0.818 18 A HN 0.532 nan 8.150 nan 0.000 0.443 19 D N -0.038 120.434 120.400 0.120 0.000 2.144 19 D HA 0.000 4.641 4.640 0.002 0.000 0.200 19 D C 2.229 178.582 176.300 0.088 0.000 0.978 19 D CA 1.440 55.504 54.000 0.107 0.000 0.833 19 D CB -0.378 40.461 40.800 0.065 0.000 0.961 19 D HN 0.410 nan 8.370 nan 0.000 0.470 20 A N 0.093 122.959 122.820 0.076 0.000 1.898 20 A HA -0.206 4.115 4.320 0.002 0.000 0.216 20 A C 2.178 179.817 177.584 0.091 0.000 1.181 20 A CA 1.083 53.156 52.037 0.060 0.000 0.620 20 A CB -0.987 18.039 19.000 0.044 0.000 0.819 20 A HN 0.288 nan 8.150 nan 0.000 0.442 21 Y N 1.544 121.839 120.300 -0.008 0.000 2.128 21 Y HA -0.197 4.354 4.550 0.002 0.000 0.284 21 Y C 2.635 178.572 175.900 0.061 0.000 1.154 21 Y CA 2.164 60.260 58.100 -0.008 0.000 1.149 21 Y CB -0.939 37.486 38.460 -0.060 0.000 0.976 21 Y HN 0.322 nan 8.280 nan 0.000 0.505 22 T N 0.449 115.050 114.554 0.079 0.000 2.684 22 T HA -0.224 4.127 4.350 0.002 0.000 0.267 22 T C 1.702 176.390 174.700 -0.019 0.000 1.036 22 T CA 1.875 64.008 62.100 0.055 0.000 1.148 22 T CB -0.286 68.688 68.868 0.177 0.000 0.863 22 T HN 0.466 nan 8.240 nan 0.000 0.436 23 E N 0.460 120.652 120.200 -0.013 0.000 2.118 23 E HA -0.180 4.171 4.350 0.002 0.000 0.195 23 E C 2.283 178.835 176.600 -0.080 0.000 0.992 23 E CA 1.091 57.466 56.400 -0.042 0.000 0.804 23 E CB -0.103 29.581 29.700 -0.026 0.000 0.741 23 E HN 0.252 nan 8.360 nan 0.000 0.458 24 K N 1.180 121.519 120.400 -0.102 0.000 2.097 24 K HA -0.104 4.217 4.320 0.002 0.000 0.205 24 K C 1.936 178.408 176.600 -0.213 0.000 1.050 24 K CA 0.849 57.052 56.287 -0.139 0.000 0.938 24 K CB -0.214 32.221 32.500 -0.109 0.000 0.718 24 K HN 0.053 nan 8.250 nan 0.000 0.442 25 L N 0.188 121.239 121.223 -0.287 0.000 2.046 25 L HA -0.161 4.180 4.340 0.002 0.000 0.208 25 L C 2.297 179.140 176.870 -0.044 0.000 1.077 25 L CA 1.257 55.939 54.840 -0.263 0.000 0.747 25 L CB -0.368 41.528 42.059 -0.271 0.000 0.896 25 L HN 0.195 nan 8.230 nan 0.000 0.432 26 I N -0.452 120.125 120.570 0.012 0.000 2.226 26 I HA -0.297 3.874 4.170 0.002 0.000 0.245 26 I C 2.684 178.727 176.117 -0.123 0.000 1.100 26 I CA 1.347 62.639 61.300 -0.014 0.000 1.374 26 I CB -0.325 37.614 38.000 -0.102 0.000 1.057 26 I HN 0.340 nan 8.210 nan 0.000 0.413 27 E N 1.364 121.476 120.200 -0.147 0.000 2.077 27 E HA -0.225 4.126 4.350 0.002 0.000 0.193 27 E C 2.335 178.836 176.600 -0.164 0.000 0.989 27 E CA 1.303 57.593 56.400 -0.182 0.000 0.800 27 E CB -0.016 29.603 29.700 -0.135 0.000 0.746 27 E HN 0.481 nan 8.360 nan 0.000 0.452 28 L N 0.333 121.468 121.223 -0.145 0.000 2.156 28 L HA -0.058 4.283 4.340 0.002 0.000 0.208 28 L C 1.194 178.001 176.870 -0.105 0.000 1.095 28 L CA 0.441 55.202 54.840 -0.132 0.000 0.770 28 L CB -0.038 41.909 42.059 -0.186 0.000 0.914 28 L HN 0.050 nan 8.230 nan 0.000 0.439 29 N N -0.383 118.268 118.700 -0.082 0.000 2.746 29 N HA 0.174 4.915 4.740 0.002 0.000 0.250 29 N C -2.029 173.466 175.510 -0.025 0.000 1.146 29 N CA -2.073 50.951 53.050 -0.043 0.000 0.828 29 N CB 1.148 39.629 38.487 -0.009 0.000 1.158 29 N HN -0.190 nan 8.380 nan 0.000 0.519 30 P HA -0.041 nan 4.420 nan 0.000 0.220 30 P C 1.035 178.280 177.300 -0.091 0.000 1.148 30 P CA 0.878 63.910 63.100 -0.113 0.000 0.803 30 P CB 0.418 32.060 31.700 -0.097 0.000 0.782 31 S N -0.835 114.820 115.700 -0.075 0.000 2.399 31 S HA -0.153 4.319 4.470 0.002 0.000 0.231 31 S C 1.534 176.142 174.600 0.012 0.000 1.022 31 S CA 0.833 58.984 58.200 -0.081 0.000 0.983 31 S CB -1.096 62.082 63.200 -0.037 0.000 0.803 31 S HN 0.090 nan 8.310 nan 0.000 0.480 32 F N 2.633 122.512 119.950 -0.118 0.000 2.171 32 F HA -0.025 4.503 4.527 0.002 0.000 0.300 32 F C 2.265 177.994 175.800 -0.119 0.000 1.090 32 F CA 0.589 58.523 58.000 -0.110 0.000 1.293 32 F CB -0.942 37.997 39.000 -0.102 0.000 1.013 32 F HN 0.172 nan 8.300 nan 0.000 0.486 33 A N -0.529 122.161 122.820 -0.216 0.000 1.898 33 A HA -0.192 4.129 4.320 0.002 0.000 0.216 33 A C 2.302 179.744 177.584 -0.237 0.000 1.181 33 A CA 2.376 54.237 52.037 -0.293 0.000 0.620 33 A CB -1.532 17.350 19.000 -0.196 0.000 0.819 33 A HN 0.495 nan 8.150 nan 0.000 0.442 34 T N -1.786 112.658 114.554 -0.183 0.000 2.857 34 T HA -0.161 4.191 4.350 0.002 0.000 0.266 34 T C 1.945 176.540 174.700 -0.175 0.000 1.048 34 T CA 2.409 64.400 62.100 -0.182 0.000 1.139 34 T CB -1.058 67.689 68.868 -0.201 0.000 0.874 34 T HN 0.612 nan 8.240 nan 0.000 0.455 35 T N -0.195 114.269 114.554 -0.151 0.000 3.051 35 T HA 0.156 4.507 4.350 0.002 0.000 0.269 35 T C 1.744 176.338 174.700 -0.177 0.000 1.127 35 T CA 0.558 62.583 62.100 -0.127 0.000 1.107 35 T CB -0.628 68.215 68.868 -0.040 0.000 0.898 35 T HN 0.465 nan 8.240 nan 0.000 0.517 36 L N 0.102 121.160 121.223 -0.275 0.000 2.592 36 L HA 0.358 4.700 4.340 0.002 0.000 0.227 36 L C 2.079 178.822 176.870 -0.212 0.000 1.127 36 L CA 0.434 55.093 54.840 -0.301 0.000 0.884 36 L CB -0.324 41.449 42.059 -0.476 0.000 1.065 36 L HN 0.602 nan 8.230 nan 0.000 0.457 37 G N 0.572 109.263 108.800 -0.182 0.000 2.184 37 G HA2 -0.286 3.676 3.960 0.002 0.000 0.264 37 G HA3 -0.286 3.676 3.960 0.002 0.000 0.264 37 G C 0.304 175.125 174.900 -0.133 0.000 0.975 37 G CA -0.157 44.856 45.100 -0.144 0.000 0.642 37 G HN 0.237 nan 8.290 nan 0.000 0.536 38 L N 2.417 123.548 121.223 -0.155 0.000 2.361 38 L HA 0.335 4.676 4.340 0.002 0.000 0.278 38 L C -0.923 175.887 176.870 -0.099 0.000 1.113 38 L CA -1.741 53.024 54.840 -0.124 0.000 0.849 38 L CB 0.379 42.350 42.059 -0.147 0.000 1.155 38 L HN 0.044 nan 8.230 nan 0.000 0.452 39 P HA 0.261 nan 4.420 nan 0.000 0.275 39 P C 0.620 177.898 177.300 -0.037 0.000 1.266 39 P CA 0.149 63.209 63.100 -0.066 0.000 0.793 39 P CB 1.272 32.946 31.700 -0.043 0.000 1.074 40 G N -0.235 108.516 108.800 -0.081 0.000 2.612 40 G HA2 -0.153 3.808 3.960 0.002 0.000 0.200 40 G HA3 -0.153 3.808 3.960 0.002 0.000 0.200 40 G C 0.042 174.707 174.900 -0.392 0.000 1.053 40 G CA -0.192 44.827 45.100 -0.134 0.000 0.707 40 G HN 0.637 nan 8.290 nan 0.000 0.497 41 H N 0.878 119.850 119.070 -0.164 0.000 2.624 41 H HA 0.506 5.063 4.556 0.002 0.000 0.233 41 H C 0.993 176.175 175.328 -0.243 0.000 1.376 41 H CA -0.086 55.860 56.048 -0.170 0.000 1.137 41 H CB 0.830 30.515 29.762 -0.129 0.000 1.867 41 H HN 0.350 nan 8.280 nan 0.000 0.547 42 E N -0.098 119.925 120.200 -0.295 0.000 2.204 42 E HA -0.120 4.232 4.350 0.002 0.000 0.194 42 E C 1.844 178.242 176.600 -0.337 0.000 0.989 42 E CA 1.696 57.852 56.400 -0.407 0.000 0.824 42 E CB 0.235 29.442 29.700 -0.822 0.000 0.756 42 E HN 0.568 nan 8.360 nan 0.000 0.477 43 T N -2.617 111.791 114.554 -0.244 0.000 3.069 43 T HA 0.170 4.521 4.350 0.002 0.000 0.252 43 T C 0.437 175.037 174.700 -0.166 0.000 1.053 43 T CA -0.293 61.716 62.100 -0.152 0.000 0.964 43 T CB 0.136 68.992 68.868 -0.020 0.000 1.005 43 T HN -0.097 nan 8.240 nan 0.000 0.532 44 E N 0.297 120.391 120.200 -0.178 0.000 2.222 44 E HA 0.542 4.893 4.350 0.002 0.000 0.272 44 E C -1.449 175.008 176.600 -0.238 0.000 0.982 44 E CA -0.915 55.423 56.400 -0.103 0.000 0.842 44 E CB 1.160 30.873 29.700 0.022 0.000 1.144 44 E HN 0.336 nan 8.360 nan 0.000 0.397 45 Y N 0.734 121.044 120.300 0.017 0.000 2.528 45 Y HA 0.114 4.665 4.550 0.002 0.000 0.335 45 Y C 0.519 176.393 175.900 -0.043 0.000 1.093 45 Y CA -0.932 57.180 58.100 0.020 0.000 1.134 45 Y CB 1.436 39.967 38.460 0.119 0.000 1.253 45 Y HN 0.456 nan 8.280 nan 0.000 0.478 46 Q N 0.497 120.319 119.800 0.036 0.000 2.540 46 Q HA 0.011 4.352 4.340 0.002 0.000 0.256 46 Q C -0.816 175.088 176.000 -0.160 0.000 1.084 46 Q CA -0.388 55.325 55.803 -0.151 0.000 0.956 46 Q CB 0.465 28.998 28.738 -0.343 0.000 1.303 46 Q HN 0.523 nan 8.270 nan 0.000 0.509 47 D N 0.606 120.928 120.400 -0.129 0.000 2.365 47 D HA 0.080 4.721 4.640 0.002 0.000 0.237 47 D C -0.782 175.475 176.300 -0.072 0.000 1.190 47 D CA -0.225 53.752 54.000 -0.037 0.000 0.867 47 D CB 0.108 40.907 40.800 -0.001 0.000 1.050 47 D HN 0.560 nan 8.370 nan 0.000 0.491 48 Y N 1.465 121.797 120.300 0.053 0.000 2.490 48 Y HA 0.027 4.578 4.550 0.002 0.000 0.281 48 Y C 1.624 177.573 175.900 0.083 0.000 1.174 48 Y CA -0.139 58.003 58.100 0.071 0.000 1.295 48 Y CB 0.020 38.523 38.460 0.071 0.000 1.062 48 Y HN 0.272 nan 8.280 nan 0.000 0.522 49 S N -0.456 115.346 115.700 0.170 0.000 2.655 49 S HA 0.169 4.640 4.470 0.002 0.000 0.265 49 S C -1.679 172.978 174.600 0.095 0.000 1.240 49 S CA -1.195 57.070 58.200 0.108 0.000 0.986 49 S CB 1.280 64.519 63.200 0.064 0.000 0.985 49 S HN -0.120 nan 8.310 nan 0.000 0.562 50 P HA -0.044 nan 4.420 nan 0.000 0.216 50 P C 1.570 178.918 177.300 0.080 0.000 1.150 50 P CA 2.027 65.174 63.100 0.078 0.000 0.837 50 P CB -0.327 31.402 31.700 0.047 0.000 0.786 51 A N -0.257 122.597 122.820 0.056 0.000 1.933 51 A HA -0.090 4.232 4.320 0.002 0.000 0.218 51 A C 2.489 180.100 177.584 0.044 0.000 1.175 51 A CA 2.039 54.104 52.037 0.046 0.000 0.628 51 A CB -1.862 17.157 19.000 0.032 0.000 0.814 51 A HN 0.274 nan 8.150 nan 0.000 0.444 52 G N -0.394 108.434 108.800 0.046 0.000 2.446 52 G HA2 -0.042 3.919 3.960 0.002 0.000 0.217 52 G HA3 -0.042 3.919 3.960 0.002 0.000 0.217 52 G C 1.754 176.682 174.900 0.048 0.000 1.168 52 G CA 1.540 46.660 45.100 0.034 0.000 0.771 52 G HN 0.819 nan 8.290 nan 0.000 0.551 53 A N 1.027 123.888 122.820 0.069 0.000 1.930 53 A HA 0.324 4.646 4.320 0.002 0.000 0.217 53 A C 2.803 180.370 177.584 -0.029 0.000 1.175 53 A CA 2.128 54.199 52.037 0.057 0.000 0.627 53 A CB -0.710 18.384 19.000 0.158 0.000 0.815 53 A HN 0.792 nan 8.150 nan 0.000 0.443 54 A N -0.085 122.765 122.820 0.050 0.000 1.933 54 A HA 0.165 4.486 4.320 0.002 0.000 0.218 54 A C 2.479 180.055 177.584 -0.012 0.000 1.175 54 A CA 2.017 54.068 52.037 0.023 0.000 0.628 54 A CB -0.926 18.123 19.000 0.082 0.000 0.814 54 A HN 1.003 nan 8.150 nan 0.000 0.444 55 A N -1.402 121.425 122.820 0.011 0.000 1.898 55 A HA -0.192 4.129 4.320 0.002 0.000 0.216 55 A C 2.160 179.749 177.584 0.008 0.000 1.181 55 A CA 1.740 53.779 52.037 0.004 0.000 0.620 55 A CB -0.897 18.102 19.000 -0.001 0.000 0.819 55 A HN 0.680 nan 8.150 nan 0.000 0.442 56 H N 0.301 119.324 119.070 -0.079 0.000 2.321 56 H HA -0.074 4.483 4.556 0.002 0.000 0.300 56 H C 2.359 177.639 175.328 -0.080 0.000 1.087 56 H CA 1.872 57.875 56.048 -0.074 0.000 1.319 56 H CB -0.414 29.293 29.762 -0.091 0.000 1.379 56 H HN 0.393 nan 8.280 nan 0.000 0.501 57 A N 0.620 123.441 122.820 0.002 0.000 1.933 57 A HA -0.192 4.129 4.320 0.002 0.000 0.218 57 A C 2.426 179.997 177.584 -0.022 0.000 1.175 57 A CA 1.932 53.901 52.037 -0.114 0.000 0.628 57 A CB -0.419 18.253 19.000 -0.547 0.000 0.814 57 A HN 0.488 nan 8.150 nan 0.000 0.444 58 E N 0.354 120.545 120.200 -0.016 0.000 2.072 58 E HA -0.037 4.314 4.350 0.002 0.000 0.191 58 E C 2.034 178.641 176.600 0.011 0.000 0.985 58 E CA 1.605 58.005 56.400 -0.001 0.000 0.801 58 E CB -0.552 29.148 29.700 0.000 0.000 0.750 58 E HN 0.441 nan 8.360 nan 0.000 0.452 59 A N -0.246 122.589 122.820 0.025 0.000 1.908 59 A HA -0.213 4.108 4.320 0.002 0.000 0.218 59 A C 2.471 180.128 177.584 0.121 0.000 1.181 59 A CA 2.333 54.410 52.037 0.066 0.000 0.627 59 A CB -1.237 17.779 19.000 0.025 0.000 0.818 59 A HN 0.394 nan 8.150 nan 0.000 0.445 60 T N -0.734 113.909 114.554 0.148 0.000 2.684 60 T HA -0.184 4.167 4.350 0.002 0.000 0.267 60 T C 2.075 176.715 174.700 -0.100 0.000 1.036 60 T CA 1.573 63.695 62.100 0.035 0.000 1.148 60 T CB -0.268 68.690 68.868 0.149 0.000 0.863 60 T HN 0.580 nan 8.240 nan 0.000 0.436 61 R N 0.577 121.051 120.500 -0.042 0.000 2.096 61 R HA 0.000 4.341 4.340 0.002 0.000 0.235 61 R C 2.374 178.628 176.300 -0.077 0.000 1.127 61 R CA 1.146 57.213 56.100 -0.055 0.000 0.968 61 R CB -0.425 29.862 30.300 -0.022 0.000 0.861 61 R HN 0.374 nan 8.270 nan 0.000 0.440 62 L N 0.235 121.421 121.223 -0.062 0.000 2.141 62 L HA -0.083 4.258 4.340 0.002 0.000 0.209 62 L C 2.677 179.482 176.870 -0.108 0.000 1.094 62 L CA 1.141 55.944 54.840 -0.062 0.000 0.763 62 L CB -0.391 41.651 42.059 -0.029 0.000 0.908 62 L HN 0.303 nan 8.230 nan 0.000 0.437 63 A N 0.027 122.736 122.820 -0.185 0.000 1.873 63 A HA -0.149 4.172 4.320 0.002 0.000 0.215 63 A C 2.231 179.634 177.584 -0.301 0.000 1.186 63 A CA 1.264 53.110 52.037 -0.318 0.000 0.616 63 A CB -0.637 17.892 19.000 -0.785 0.000 0.823 63 A HN 0.321 nan 8.150 nan 0.000 0.442 64 L N -0.717 120.339 121.223 -0.279 0.000 2.012 64 L HA -0.224 4.118 4.340 0.002 0.000 0.210 64 L C 2.695 179.477 176.870 -0.146 0.000 1.073 64 L CA 1.715 56.428 54.840 -0.212 0.000 0.748 64 L CB -0.590 41.368 42.059 -0.168 0.000 0.891 64 L HN 0.482 nan 8.230 nan 0.000 0.431 65 E N -0.069 120.062 120.200 -0.116 0.000 2.070 65 E HA -0.288 4.063 4.350 0.002 0.000 0.197 65 E C 2.237 178.786 176.600 -0.084 0.000 1.004 65 E CA 1.398 57.748 56.400 -0.084 0.000 0.805 65 E CB -0.132 29.529 29.700 -0.064 0.000 0.744 65 E HN 0.521 nan 8.360 nan 0.000 0.451 66 A N 1.001 123.763 122.820 -0.096 0.000 1.933 66 A HA -0.157 4.164 4.320 0.002 0.000 0.218 66 A C 2.160 179.688 177.584 -0.092 0.000 1.175 66 A CA 1.070 53.056 52.037 -0.085 0.000 0.628 66 A CB -0.581 18.368 19.000 -0.085 0.000 0.814 66 A HN 0.170 nan 8.150 nan 0.000 0.444 67 L N -0.912 120.236 121.223 -0.124 0.000 2.291 67 L HA -0.109 4.232 4.340 0.002 0.000 0.214 67 L C 2.964 179.776 176.870 -0.096 0.000 1.120 67 L CA 0.599 55.365 54.840 -0.123 0.000 0.799 67 L CB -0.565 41.391 42.059 -0.171 0.000 0.925 67 L HN 0.443 nan 8.230 nan 0.000 0.446 68 A N 0.582 123.351 122.820 -0.086 0.000 1.908 68 A HA -0.127 4.194 4.320 0.002 0.000 0.218 68 A C 2.115 179.666 177.584 -0.055 0.000 1.181 68 A CA 1.818 53.813 52.037 -0.070 0.000 0.627 68 A CB -0.897 18.066 19.000 -0.061 0.000 0.818 68 A HN 0.427 nan 8.150 nan 0.000 0.445 69 G N -1.095 107.675 108.800 -0.050 0.000 3.371 69 G HA2 0.451 4.412 3.960 0.002 0.000 0.248 69 G HA3 0.451 4.412 3.960 0.002 0.000 0.248 69 G C 0.067 174.944 174.900 -0.039 0.000 1.161 69 G CA -0.357 44.719 45.100 -0.040 0.000 0.796 69 G HN 0.320 nan 8.290 nan 0.000 0.539 70 L N 1.725 122.920 121.223 -0.046 0.000 2.262 70 L HA 0.350 4.691 4.340 0.002 0.000 0.288 70 L C -0.327 176.519 176.870 -0.040 0.000 1.035 70 L CA -0.879 53.935 54.840 -0.043 0.000 0.820 70 L CB 1.266 43.295 42.059 -0.050 0.000 1.204 70 L HN 0.026 nan 8.230 nan 0.000 0.424 71 E N 4.684 124.865 120.200 -0.031 0.000 2.373 71 E HA 0.202 4.553 4.350 0.002 0.000 0.267 71 E C -2.113 174.472 176.600 -0.025 0.000 1.032 71 E CA -1.672 54.712 56.400 -0.027 0.000 0.889 71 E CB 0.354 30.041 29.700 -0.021 0.000 0.984 71 E HN 0.304 nan 8.360 nan 0.000 0.425 72 P HA 0.013 nan 4.420 nan 0.000 0.271 72 P C 0.464 177.756 177.300 -0.014 0.000 1.216 72 P CA 0.016 63.105 63.100 -0.019 0.000 0.776 72 P CB 0.759 32.448 31.700 -0.017 0.000 0.881 73 S N 0.609 116.302 115.700 -0.011 0.000 2.503 73 S HA 0.062 4.534 4.470 0.002 0.000 0.217 73 S C 0.361 174.959 174.600 -0.004 0.000 0.999 73 S CA 0.184 58.380 58.200 -0.007 0.000 0.914 73 S CB -0.429 62.767 63.200 -0.007 0.000 0.782 73 S HN 0.616 nan 8.310 nan 0.000 0.520 74 D N -0.877 119.522 120.400 -0.003 0.000 2.713 74 D HA 0.276 4.918 4.640 0.002 0.000 0.306 74 D C -0.662 175.639 176.300 0.002 0.000 1.299 74 D CA -0.591 53.410 54.000 0.001 0.000 0.823 74 D CB -0.176 40.626 40.800 0.003 0.000 1.353 74 D HN -0.206 nan 8.370 nan 0.000 0.447 75 D N -0.571 119.832 120.400 0.005 0.000 2.221 75 D HA -0.068 4.573 4.640 0.002 0.000 0.204 75 D C 1.961 178.267 176.300 0.010 0.000 0.982 75 D CA 0.867 54.871 54.000 0.007 0.000 0.857 75 D CB 0.030 40.837 40.800 0.011 0.000 0.934 75 D HN 0.253 nan 8.370 nan 0.000 0.475 76 V N 1.030 120.951 119.914 0.012 0.000 2.358 76 V HA -0.198 3.923 4.120 0.002 0.000 0.246 76 V C 1.879 177.984 176.094 0.017 0.000 1.047 76 V CA 1.562 63.873 62.300 0.019 0.000 1.035 76 V CB -0.355 31.481 31.823 0.021 0.000 0.658 76 V HN 0.051 nan 8.190 nan 0.000 0.452 77 D N 0.511 120.915 120.400 0.007 0.000 2.123 77 D HA -0.130 4.511 4.640 0.002 0.000 0.196 77 D C 2.219 178.512 176.300 -0.011 0.000 0.992 77 D CA 1.666 55.664 54.000 -0.003 0.000 0.833 77 D CB -0.318 40.476 40.800 -0.010 0.000 0.954 77 D HN 0.424 nan 8.370 nan 0.000 0.455 78 A N 0.303 123.119 122.820 -0.008 0.000 1.902 78 A HA -0.131 4.190 4.320 0.002 0.000 0.217 78 A C 2.507 180.086 177.584 -0.008 0.000 1.181 78 A CA 1.246 53.276 52.037 -0.012 0.000 0.623 78 A CB -0.671 18.325 19.000 -0.007 0.000 0.818 78 A HN 0.153 nan 8.150 nan 0.000 0.443 79 V N -0.359 119.558 119.914 0.005 0.000 2.307 79 V HA -0.219 3.903 4.120 0.002 0.000 0.245 79 V C 2.737 178.847 176.094 0.028 0.000 1.045 79 V CA 2.447 64.756 62.300 0.015 0.000 1.024 79 V CB -1.353 30.483 31.823 0.023 0.000 0.651 79 V HN 0.591 nan 8.190 nan 0.000 0.449 80 T N 0.623 115.196 114.554 0.031 0.000 2.684 80 T HA -0.193 4.159 4.350 0.002 0.000 0.267 80 T C 1.914 176.577 174.700 -0.061 0.000 1.036 80 T CA 1.735 63.853 62.100 0.030 0.000 1.148 80 T CB -0.369 68.513 68.868 0.022 0.000 0.863 80 T HN 0.276 nan 8.240 nan 0.000 0.436 81 L N 0.781 121.962 121.223 -0.069 0.000 2.012 81 L HA -0.163 4.178 4.340 0.002 0.000 0.210 81 L C 2.659 179.473 176.870 -0.094 0.000 1.073 81 L CA 1.496 56.275 54.840 -0.102 0.000 0.748 81 L CB -0.548 41.467 42.059 -0.075 0.000 0.891 81 L HN 0.232 nan 8.230 nan 0.000 0.431 82 D N 0.035 120.404 120.400 -0.051 0.000 2.097 82 D HA -0.055 4.586 4.640 0.002 0.000 0.197 82 D C 1.230 177.519 176.300 -0.019 0.000 0.984 82 D CA 0.984 54.962 54.000 -0.036 0.000 0.826 82 D CB 0.049 40.837 40.800 -0.020 0.000 0.973 82 D HN 0.263 nan 8.370 nan 0.000 0.460 86 E N 1.631 121.811 120.200 -0.034 0.000 2.017 86 E HA -0.140 4.211 4.350 0.002 0.000 0.193 86 E C 1.471 178.084 176.600 0.020 0.000 0.997 86 E CA 1.374 57.770 56.400 -0.006 0.000 0.804 86 E CB 0.211 29.913 29.700 0.004 0.000 0.757 86 E HN 0.089 nan 8.360 nan 0.000 0.448 87 R N 0.051 120.602 120.500 0.084 0.000 2.070 87 R HA -0.115 4.226 4.340 0.002 0.000 0.233 87 R C 2.545 178.904 176.300 0.099 0.000 1.137 87 R CA 0.777 56.961 56.100 0.139 0.000 0.945 87 R CB -0.897 29.619 30.300 0.360 0.000 0.845 87 R HN 0.204 nan 8.270 nan 0.000 0.430 88 L N -0.217 121.036 121.223 0.051 0.000 2.093 88 L HA -0.003 4.338 4.340 0.002 0.000 0.208 88 L C 2.473 179.337 176.870 -0.010 0.000 1.085 88 L CA 1.952 56.795 54.840 0.004 0.000 0.755 88 L CB -1.284 40.690 42.059 -0.142 0.000 0.904 88 L HN 0.285 nan 8.230 nan 0.000 0.435 89 G N -0.656 108.127 108.800 -0.028 0.000 2.418 89 G HA2 -0.255 3.706 3.960 0.002 0.000 0.217 89 G HA3 -0.255 3.706 3.960 0.002 0.000 0.217 89 G C 1.643 176.542 174.900 -0.001 0.000 1.158 89 G CA 0.870 45.957 45.100 -0.021 0.000 0.771 89 G HN 0.325 nan 8.290 nan 0.000 0.545 90 L N 0.516 121.739 121.223 0.000 0.000 2.093 90 L HA 0.099 4.441 4.340 0.002 0.000 0.208 90 L C 2.507 179.382 176.870 0.009 0.000 1.085 90 L CA 1.908 56.746 54.840 -0.004 0.000 0.755 90 L CB -0.591 41.455 42.059 -0.023 0.000 0.904 90 L HN 0.314 nan 8.230 nan 0.000 0.435 91 E N -0.405 119.809 120.200 0.022 0.000 2.085 91 E HA -0.233 4.118 4.350 0.002 0.000 0.194 91 E C 2.222 178.856 176.600 0.057 0.000 0.994 91 E CA 1.735 58.154 56.400 0.032 0.000 0.801 91 E CB -0.269 29.462 29.700 0.051 0.000 0.743 91 E HN 0.543 nan 8.360 nan 0.000 0.453 92 L N 0.746 122.003 121.223 0.058 0.000 2.093 92 L HA -0.173 4.168 4.340 0.002 0.000 0.208 92 L C 2.331 179.261 176.870 0.100 0.000 1.085 92 L CA 1.059 55.953 54.840 0.089 0.000 0.755 92 L CB -0.398 41.694 42.059 0.055 0.000 0.904 92 L HN 0.115 nan 8.230 nan 0.000 0.435 93 E N 0.470 120.706 120.200 0.060 0.000 2.085 93 E HA -0.233 4.118 4.350 0.002 0.000 0.194 93 E C 2.273 178.913 176.600 0.066 0.000 0.994 93 E CA 1.340 57.770 56.400 0.051 0.000 0.801 93 E CB -0.133 29.584 29.700 0.028 0.000 0.743 93 E HN 0.491 nan 8.360 nan 0.000 0.453 94 I N 0.315 120.926 120.570 0.069 0.000 2.252 94 I HA -0.259 3.912 4.170 0.002 0.000 0.245 94 I C 2.548 178.736 176.117 0.119 0.000 1.102 94 I CA 1.232 62.584 61.300 0.086 0.000 1.385 94 I CB -0.269 37.767 38.000 0.058 0.000 1.064 94 I HN 0.146 nan 8.210 nan 0.000 0.414 95 H N 1.188 120.278 119.070 0.034 0.000 2.319 95 H HA -0.200 4.357 4.556 0.002 0.000 0.299 95 H C 2.211 177.560 175.328 0.034 0.000 1.092 95 H CA 1.953 58.019 56.048 0.031 0.000 1.302 95 H CB -0.067 29.706 29.762 0.018 0.000 1.373 95 H HN 0.307 nan 8.280 nan 0.000 0.497 96 Q N -0.288 119.489 119.800 -0.038 0.000 2.226 96 Q HA -0.125 4.216 4.340 0.002 0.000 0.204 96 Q C 2.501 178.463 176.000 -0.063 0.000 0.975 96 Q CA 1.456 57.208 55.803 -0.086 0.000 0.866 96 Q CB -0.001 28.749 28.738 0.019 0.000 0.915 96 Q HN 0.638 nan 8.270 nan 0.000 0.440 97 S N -1.050 114.655 115.700 0.009 0.000 2.423 97 S HA -0.034 4.437 4.470 0.002 0.000 0.231 97 S C 1.651 176.262 174.600 0.018 0.000 1.014 97 S CA 0.981 59.226 58.200 0.076 0.000 0.965 97 S CB -0.051 63.256 63.200 0.179 0.000 0.785 97 S HN 0.559 nan 8.310 nan 0.000 0.495 98 G N -0.403 108.352 108.800 -0.075 0.000 2.213 98 G HA2 -0.266 3.696 3.960 0.002 0.000 0.236 98 G HA3 -0.266 3.696 3.960 0.002 0.000 0.236 98 G C 0.478 175.252 174.900 -0.211 0.000 0.991 98 G CA 0.168 45.151 45.100 -0.195 0.000 0.629 98 G HN 0.560 nan 8.290 nan 0.000 0.517 99 W N 2.135 123.436 121.300 0.001 0.000 2.658 99 W HA 0.154 4.815 4.660 0.002 0.000 0.263 99 W C 2.415 178.969 176.519 0.058 0.000 1.274 99 W CA 0.919 58.283 57.345 0.033 0.000 1.343 99 W CB 0.128 29.609 29.460 0.034 0.000 1.106 99 W HN 0.458 nan 8.180 nan 0.000 0.615 100 D N 0.292 120.829 120.400 0.229 0.000 2.133 100 D HA -0.240 4.402 4.640 0.002 0.000 0.195 100 D C 2.021 178.429 176.300 0.180 0.000 0.997 100 D CA 1.851 55.967 54.000 0.193 0.000 0.840 100 D CB -1.160 39.740 40.800 0.167 0.000 0.947 100 D HN 0.152 nan 8.370 nan 0.000 0.452 101 A N 0.846 123.731 122.820 0.109 0.000 2.070 101 A HA 0.189 4.510 4.320 0.002 0.000 0.220 101 A C 2.319 179.964 177.584 0.101 0.000 1.159 101 A CA 1.751 53.841 52.037 0.088 0.000 0.656 101 A CB -0.511 18.488 19.000 -0.003 0.000 0.800 101 A HN 0.418 nan 8.150 nan 0.000 0.453 102 A N -0.549 122.344 122.820 0.122 0.000 2.275 102 A HA 0.241 4.562 4.320 0.002 0.000 0.212 102 A C 0.566 178.311 177.584 0.268 0.000 1.201 102 A CA 0.293 52.427 52.037 0.161 0.000 0.843 102 A CB -0.391 18.701 19.000 0.153 0.000 0.873 102 A HN 0.388 nan 8.150 nan 0.000 0.492 103 D N 0.649 121.228 120.400 0.298 0.000 2.502 103 D HA 0.222 4.864 4.640 0.002 0.000 0.249 103 D C -0.506 175.995 176.300 0.335 0.000 1.188 103 D CA 1.082 55.265 54.000 0.305 0.000 0.890 103 D CB -0.056 40.907 40.800 0.273 0.000 1.140 103 D HN 0.285 nan 8.370 nan 0.000 0.505 104 L N 3.838 125.221 121.223 0.266 0.000 2.751 104 L HA 0.341 4.683 4.340 0.002 0.000 0.261 104 L C -1.687 175.273 176.870 0.150 0.000 0.927 104 L CA -0.514 54.467 54.840 0.236 0.000 0.968 104 L CB 0.996 43.205 42.059 0.249 0.000 1.432 104 L HN 0.675 nan 8.230 nan 0.000 0.439 105 N N 1.339 120.087 118.700 0.080 0.000 3.243 105 N HA 0.352 5.093 4.740 0.002 0.000 0.280 105 N C -0.434 175.047 175.510 -0.049 0.000 1.545 105 N CA -0.427 52.633 53.050 0.016 0.000 0.854 105 N CB 0.249 38.743 38.487 0.011 0.000 1.612 105 N HN 0.414 nan 8.380 nan 0.000 0.577 106 N N -0.522 118.110 118.700 -0.114 0.000 2.398 106 N HA 0.081 4.822 4.740 0.002 0.000 0.188 106 N C 0.356 175.806 175.510 -0.101 0.000 1.122 106 N CA 0.505 53.483 53.050 -0.120 0.000 0.866 106 N CB 0.212 38.575 38.487 -0.206 0.000 0.970 106 N HN 0.728 nan 8.380 nan 0.000 0.462 107 I N -2.146 118.299 120.570 -0.209 0.000 4.881 107 I HA 0.349 4.520 4.170 0.002 0.000 0.319 107 I C -0.715 175.193 176.117 -0.348 0.000 1.205 107 I CA 0.032 61.187 61.300 -0.242 0.000 1.368 107 I CB 0.604 38.385 38.000 -0.364 0.000 1.484 107 I HN 0.051 nan 8.210 nan 0.000 0.486 108 A N 1.192 123.731 122.820 -0.469 0.000 3.307 108 A HA 0.679 5.000 4.320 0.002 0.000 0.289 108 A C -0.409 177.090 177.584 -0.142 0.000 1.138 108 A CA 0.210 52.045 52.037 -0.337 0.000 0.860 108 A CB 0.031 18.728 19.000 -0.506 0.000 1.318 108 A HN 0.240 nan 8.150 nan 0.000 0.551 109 S N -0.297 115.354 115.700 -0.082 0.000 2.625 109 S HA 0.769 5.241 4.470 0.002 0.000 0.271 109 S C -2.770 171.742 174.600 -0.146 0.000 1.161 109 S CA -1.151 57.021 58.200 -0.046 0.000 0.820 109 S CB 1.431 64.635 63.200 0.007 0.000 1.137 109 S HN -0.063 nan 8.310 nan 0.000 0.470 110 P HA -0.003 nan 4.420 nan 0.000 0.218 110 P C 1.544 178.556 177.300 -0.480 0.000 1.148 110 P CA 2.107 64.815 63.100 -0.653 0.000 0.822 110 P CB -0.208 30.587 31.700 -1.509 0.000 0.784 111 A N -0.699 121.940 122.820 -0.301 0.000 1.933 111 A HA -0.252 4.069 4.320 0.002 0.000 0.218 111 A C 2.163 179.898 177.584 0.251 0.000 1.175 111 A CA 1.730 53.837 52.037 0.117 0.000 0.628 111 A CB -1.170 17.993 19.000 0.273 0.000 0.814 111 A HN 0.149 nan 8.150 nan 0.000 0.444 112 Q N 0.022 119.890 119.800 0.113 0.000 2.083 112 Q HA -0.079 4.262 4.340 0.002 0.000 0.198 112 Q C 1.511 177.543 176.000 0.054 0.000 0.969 112 Q CA 1.536 57.408 55.803 0.114 0.000 0.838 112 Q CB -0.176 28.585 28.738 0.039 0.000 0.900 112 Q HN 0.601 nan 8.270 nan 0.000 0.436 113 D N 0.194 120.611 120.400 0.027 0.000 2.144 113 D HA -0.117 4.524 4.640 0.002 0.000 0.199 113 D C 1.735 178.124 176.300 0.149 0.000 0.984 113 D CA 0.910 54.948 54.000 0.063 0.000 0.834 113 D CB -0.091 40.762 40.800 0.088 0.000 0.955 113 D HN 0.252 nan 8.370 nan 0.000 0.465 114 I N 0.439 121.098 120.570 0.149 0.000 2.286 114 I HA -0.204 3.968 4.170 0.002 0.000 0.248 114 I C 2.603 179.001 176.117 0.469 0.000 1.115 114 I CA 0.803 62.267 61.300 0.272 0.000 1.392 114 I CB -0.078 37.901 38.000 -0.035 0.000 1.065 114 I HN -0.074 nan 8.210 nan 0.000 0.418 115 R N 1.100 121.793 120.500 0.321 0.000 2.093 115 R HA -0.082 4.259 4.340 0.002 0.000 0.224 115 R C 2.329 178.611 176.300 -0.029 0.000 1.101 115 R CA 1.340 57.498 56.100 0.095 0.000 0.979 115 R CB -0.147 29.739 30.300 -0.689 0.000 0.877 115 R HN 0.328 nan 8.270 nan 0.000 0.441 116 A N 1.160 123.941 122.820 -0.066 0.000 1.972 116 A HA -0.158 4.163 4.320 0.002 0.000 0.219 116 A C 1.988 179.547 177.584 -0.041 0.000 1.169 116 A CA 1.035 53.005 52.037 -0.112 0.000 0.635 116 A CB -0.476 18.473 19.000 -0.086 0.000 0.810 116 A HN 0.367 nan 8.150 nan 0.000 0.446 117 I N -1.181 119.389 120.570 0.000 0.000 2.423 117 I HA -0.209 3.963 4.170 0.002 0.000 0.254 117 I C 1.803 177.824 176.117 -0.160 0.000 1.151 117 I CA 1.084 62.323 61.300 -0.103 0.000 1.421 117 I CB -0.490 37.417 38.000 -0.154 0.000 1.079 117 I HN 0.327 nan 8.210 nan 0.000 0.431 118 F N 0.669 120.627 119.950 0.013 0.000 2.269 118 F HA -0.194 4.334 4.527 0.002 0.000 0.301 118 F C 2.153 177.960 175.800 0.012 0.000 1.082 118 F CA 1.386 59.427 58.000 0.067 0.000 1.360 118 F CB -0.630 38.521 39.000 0.252 0.000 1.041 118 F HN 0.148 nan 8.300 nan 0.000 0.512 119 D N 0.240 120.705 120.400 0.107 0.000 2.312 119 D HA -0.019 4.622 4.640 0.002 0.000 0.211 119 D C 1.132 177.405 176.300 -0.044 0.000 0.964 119 D CA 0.661 54.677 54.000 0.025 0.000 0.877 119 D CB -0.081 40.688 40.800 -0.053 0.000 0.924 119 D HN 0.181 nan 8.370 nan 0.000 0.515 123 T N -3.702 110.700 114.554 -0.253 0.000 3.571 123 T HA 0.264 4.615 4.350 0.002 0.000 0.292 123 T C -0.276 174.464 174.700 0.066 0.000 0.994 123 T CA -0.301 61.562 62.100 -0.394 0.000 0.996 123 T CB -0.306 68.347 68.868 -0.360 0.000 1.185 123 T HN 0.193 nan 8.240 nan 0.000 0.482 124 D N 2.067 122.635 120.400 0.281 0.000 2.392 124 D HA 0.131 4.772 4.640 0.002 0.000 0.206 124 D C 1.117 177.409 176.300 -0.013 0.000 1.046 124 D CA 0.751 54.840 54.000 0.148 0.000 0.865 124 D CB 1.153 42.039 40.800 0.144 0.000 0.969 124 D HN 0.701 nan 8.370 nan 0.000 0.509 125 T N -3.563 110.876 114.554 -0.192 0.000 2.865 125 T HA 0.341 4.692 4.350 0.002 0.000 0.294 125 T C 1.307 176.008 174.700 0.002 0.000 1.119 125 T CA -0.668 61.316 62.100 -0.194 0.000 1.007 125 T CB 1.793 70.386 68.868 -0.457 0.000 1.225 125 T HN -0.286 nan 8.240 nan 0.000 0.515 126 V N 0.920 120.845 119.914 0.018 0.000 2.287 126 V HA -0.152 3.970 4.120 0.002 0.000 0.248 126 V C 2.806 178.916 176.094 0.027 0.000 1.053 126 V CA 2.529 64.876 62.300 0.079 0.000 1.027 126 V CB -0.927 30.909 31.823 0.022 0.000 0.646 126 V HN 1.073 nan 8.190 nan 0.000 0.447 127 E N -0.596 119.537 120.200 -0.112 0.000 2.085 127 E HA -0.274 4.077 4.350 0.002 0.000 0.194 127 E C 2.106 178.511 176.600 -0.325 0.000 0.994 127 E CA 1.779 58.034 56.400 -0.242 0.000 0.801 127 E CB -0.229 29.311 29.700 -0.266 0.000 0.743 127 E HN 0.795 nan 8.360 nan 0.000 0.453 128 H N -1.576 117.344 119.070 -0.250 0.000 2.319 128 H HA -0.182 4.375 4.556 0.002 0.000 0.297 128 H C 1.690 176.889 175.328 -0.215 0.000 1.097 128 H CA 1.378 57.282 56.048 -0.241 0.000 1.285 128 H CB -0.166 29.422 29.762 -0.289 0.000 1.368 128 H HN 0.358 nan 8.280 nan 0.000 0.495 129 W N 1.259 122.618 121.300 0.097 0.000 2.436 129 W HA -0.064 4.598 4.660 0.002 0.000 0.284 129 W C 2.298 178.854 176.519 0.062 0.000 1.225 129 W CA 0.536 57.928 57.345 0.078 0.000 1.271 129 W CB 0.134 29.621 29.460 0.045 0.000 1.114 129 W HN 0.261 nan 8.180 nan 0.000 0.559 130 E N -0.828 119.479 120.200 0.179 0.000 2.077 130 E HA -0.227 4.124 4.350 0.002 0.000 0.193 130 E C 1.580 178.281 176.600 0.167 0.000 0.989 130 E CA 1.546 58.014 56.400 0.113 0.000 0.800 130 E CB -0.469 29.232 29.700 0.001 0.000 0.746 130 E HN 0.539 nan 8.360 nan 0.000 0.452 131 H N 0.363 119.492 119.070 0.098 0.000 2.319 131 H HA -0.111 4.446 4.556 0.002 0.000 0.299 131 H C 2.279 177.656 175.328 0.080 0.000 1.092 131 H CA 1.065 57.141 56.048 0.048 0.000 1.302 131 H CB -0.022 29.733 29.762 -0.010 0.000 1.373 131 H HN 0.105 nan 8.280 nan 0.000 0.497 132 I N 0.689 121.409 120.570 0.250 0.000 2.226 132 I HA -0.274 3.897 4.170 0.002 0.000 0.245 132 I C 2.812 179.181 176.117 0.420 0.000 1.100 132 I CA 0.885 62.386 61.300 0.334 0.000 1.374 132 I CB -0.308 37.847 38.000 0.258 0.000 1.057 132 I HN 0.309 nan 8.210 nan 0.000 0.413 133 A N 0.893 123.917 122.820 0.341 0.000 1.902 133 A HA -0.107 4.214 4.320 0.002 0.000 0.217 133 A C 2.440 180.171 177.584 0.244 0.000 1.181 133 A CA 1.862 54.066 52.037 0.277 0.000 0.623 133 A CB -1.388 17.742 19.000 0.216 0.000 0.818 133 A HN 0.460 nan 8.150 nan 0.000 0.443 134 G N -0.774 108.158 108.800 0.220 0.000 2.408 134 G HA2 -0.227 3.735 3.960 0.002 0.000 0.217 134 G HA3 -0.227 3.735 3.960 0.002 0.000 0.217 134 G C 1.733 176.746 174.900 0.188 0.000 1.150 134 G CA 0.972 46.178 45.100 0.177 0.000 0.776 134 G HN 0.550 nan 8.290 nan 0.000 0.542 135 R N 0.492 121.113 120.500 0.202 0.000 2.073 135 R HA 0.007 4.348 4.340 0.002 0.000 0.234 135 R C 2.890 179.491 176.300 0.501 0.000 1.134 135 R CA 1.463 57.685 56.100 0.203 0.000 0.952 135 R CB -0.410 29.834 30.300 -0.093 0.000 0.850 135 R HN 0.269 nan 8.270 nan 0.000 0.433 136 A N 0.868 124.060 122.820 0.620 0.000 1.892 136 A HA -0.171 4.150 4.320 0.002 0.000 0.218 136 A C 2.335 180.064 177.584 0.242 0.000 1.188 136 A CA 1.909 54.227 52.037 0.468 0.000 0.631 136 A CB -0.883 18.286 19.000 0.281 0.000 0.822 136 A HN 0.550 nan 8.150 nan 0.000 0.447 137 A N -0.512 122.430 122.820 0.203 0.000 2.125 137 A HA -0.142 4.180 4.320 0.002 0.000 0.219 137 A C 1.665 179.331 177.584 0.137 0.000 1.156 137 A CA 1.554 53.669 52.037 0.130 0.000 0.671 137 A CB -0.707 18.360 19.000 0.111 0.000 0.794 137 A HN 0.735 nan 8.150 nan 0.000 0.459 138 N N -0.975 117.855 118.700 0.217 0.000 2.299 138 N HA 0.092 4.833 4.740 0.002 0.000 0.187 138 N C 1.148 176.785 175.510 0.213 0.000 1.099 138 N CA 0.291 53.485 53.050 0.240 0.000 0.867 138 N CB 0.330 39.009 38.487 0.320 0.000 0.974 138 N HN 0.200 nan 8.380 nan 0.000 0.477 139 V N 1.960 121.985 119.914 0.184 0.000 2.392 139 V HA -0.166 3.955 4.120 0.002 0.000 0.249 139 V C -0.788 175.203 176.094 -0.172 0.000 1.059 139 V CA 1.848 64.108 62.300 -0.066 0.000 1.051 139 V CB -1.156 30.653 31.823 -0.023 0.000 0.658 139 V HN 0.226 nan 8.190 nan 0.000 0.455 140 P HA -0.111 nan 4.420 nan 0.000 0.215 140 P C 1.724 178.972 177.300 -0.087 0.000 1.153 140 P CA 1.903 64.940 63.100 -0.105 0.000 0.853 140 P CB -0.322 31.346 31.700 -0.054 0.000 0.788 141 G N -0.323 108.457 108.800 -0.034 0.000 2.443 141 G HA2 -0.164 3.798 3.960 0.002 0.000 0.219 141 G HA3 -0.164 3.798 3.960 0.002 0.000 0.219 141 G C 1.598 176.491 174.900 -0.012 0.000 1.131 141 G CA 0.815 45.912 45.100 -0.006 0.000 0.775 141 G HN 0.308 nan 8.290 nan 0.000 0.547 142 A N 1.132 123.905 122.820 -0.078 0.000 1.873 142 A HA 0.074 4.395 4.320 0.002 0.000 0.215 142 A C 2.316 179.821 177.584 -0.132 0.000 1.186 142 A CA 1.175 53.160 52.037 -0.087 0.000 0.616 142 A CB -0.285 18.402 19.000 -0.521 0.000 0.823 142 A HN 0.248 nan 8.150 nan 0.000 0.442 143 I N 0.219 120.646 120.570 -0.239 0.000 2.226 143 I HA -0.227 3.944 4.170 0.002 0.000 0.245 143 I C 2.460 178.500 176.117 -0.128 0.000 1.100 143 I CA 1.911 63.083 61.300 -0.213 0.000 1.374 143 I CB -1.324 36.485 38.000 -0.319 0.000 1.057 143 I HN 0.628 nan 8.210 nan 0.000 0.413 144 E N 1.017 121.148 120.200 -0.114 0.000 2.085 144 E HA -0.195 4.156 4.350 0.002 0.000 0.194 144 E C 2.303 178.855 176.600 -0.080 0.000 0.994 144 E CA 1.525 57.860 56.400 -0.108 0.000 0.801 144 E CB -0.262 29.394 29.700 -0.074 0.000 0.743 144 E HN 0.459 nan 8.360 nan 0.000 0.453 145 G N -0.156 108.645 108.800 0.002 0.000 2.408 145 G HA2 -0.291 3.670 3.960 0.002 0.000 0.217 145 G HA3 -0.291 3.670 3.960 0.002 0.000 0.217 145 G C 1.358 176.319 174.900 0.103 0.000 1.150 145 G CA 0.810 45.949 45.100 0.066 0.000 0.776 145 G HN 0.367 nan 8.290 nan 0.000 0.542 146 Y N 1.418 121.680 120.300 -0.064 0.000 2.145 146 Y HA -0.038 4.513 4.550 0.002 0.000 0.286 146 Y C 2.538 178.343 175.900 -0.157 0.000 1.145 146 Y CA 0.947 58.980 58.100 -0.112 0.000 1.148 146 Y CB -0.399 37.892 38.460 -0.282 0.000 0.981 146 Y HN 0.190 nan 8.280 nan 0.000 0.507 147 I N 0.032 120.350 120.570 -0.420 0.000 2.286 147 I HA -0.332 3.839 4.170 0.002 0.000 0.248 147 I C 2.648 178.435 176.117 -0.551 0.000 1.115 147 I CA 1.241 62.096 61.300 -0.743 0.000 1.392 147 I CB -0.739 36.780 38.000 -0.801 0.000 1.065 147 I HN 0.292 nan 8.210 nan 0.000 0.418 148 A N -0.059 122.583 122.820 -0.296 0.000 1.902 148 A HA -0.206 4.116 4.320 0.002 0.000 0.217 148 A C 2.486 180.001 177.584 -0.115 0.000 1.181 148 A CA 2.272 54.208 52.037 -0.169 0.000 0.623 148 A CB -0.687 18.264 19.000 -0.082 0.000 0.818 148 A HN 0.386 nan 8.150 nan 0.000 0.443 149 S N -0.241 115.412 115.700 -0.078 0.000 2.368 149 S HA -0.033 4.438 4.470 0.002 0.000 0.224 149 S C 1.813 176.375 174.600 -0.064 0.000 1.029 149 S CA 1.290 59.478 58.200 -0.020 0.000 0.988 149 S CB -0.426 62.828 63.200 0.089 0.000 0.838 149 S HN 0.510 nan 8.310 nan 0.000 0.462 150 L N 1.027 122.150 121.223 -0.166 0.000 2.083 150 L HA -0.087 4.254 4.340 0.002 0.000 0.209 150 L C 2.716 179.607 176.870 0.036 0.000 1.083 150 L CA 1.259 56.046 54.840 -0.090 0.000 0.752 150 L CB -0.433 41.550 42.059 -0.127 0.000 0.899 150 L HN 0.243 nan 8.230 nan 0.000 0.433 151 R N 0.314 120.817 120.500 0.004 0.000 2.075 151 R HA -0.131 4.210 4.340 0.002 0.000 0.232 151 R C 2.351 178.663 176.300 0.019 0.000 1.126 151 R CA 1.270 57.429 56.100 0.098 0.000 0.963 151 R CB -0.173 30.142 30.300 0.026 0.000 0.858 151 R HN 0.327 nan 8.270 nan 0.000 0.435 152 A N 0.674 123.479 122.820 -0.026 0.000 1.933 152 A HA -0.072 4.249 4.320 0.002 0.000 0.218 152 A C 2.298 179.841 177.584 -0.067 0.000 1.175 152 A CA 1.564 53.578 52.037 -0.039 0.000 0.628 152 A CB -0.609 18.369 19.000 -0.037 0.000 0.814 152 A HN 0.518 nan 8.150 nan 0.000 0.444 153 A N 0.059 122.830 122.820 -0.082 0.000 1.898 153 A HA -0.145 4.176 4.320 0.002 0.000 0.216 153 A C 2.134 179.628 177.584 -0.150 0.000 1.181 153 A CA 1.907 53.851 52.037 -0.155 0.000 0.620 153 A CB -0.461 18.443 19.000 -0.160 0.000 0.819 153 A HN 0.574 nan 8.150 nan 0.000 0.442 154 K N -0.274 120.083 120.400 -0.071 0.000 2.063 154 K HA -0.228 4.093 4.320 0.002 0.000 0.208 154 K C 1.001 177.570 176.600 -0.051 0.000 1.048 154 K CA 1.875 58.133 56.287 -0.048 0.000 0.928 154 K CB -0.320 32.182 32.500 0.003 0.000 0.713 154 K HN 0.341 nan 8.250 nan 0.000 0.442 155 D N 0.711 121.087 120.400 -0.040 0.000 2.310 155 D HA -0.125 4.516 4.640 0.002 0.000 0.212 155 D C 0.886 177.151 176.300 -0.059 0.000 0.965 155 D CA 1.009 54.986 54.000 -0.038 0.000 0.879 155 D CB -0.121 40.664 40.800 -0.026 0.000 0.921 155 D HN 0.336 nan 8.370 nan 0.000 0.510 156 D N -0.263 120.081 120.400 -0.094 0.000 2.358 156 D HA 0.067 4.709 4.640 0.002 0.000 0.224 156 D C -0.108 176.104 176.300 -0.146 0.000 1.123 156 D CA -0.191 53.737 54.000 -0.120 0.000 0.833 156 D CB -0.027 40.678 40.800 -0.158 0.000 0.946 156 D HN -0.111 nan 8.370 nan 0.000 0.505 157 R N -0.378 120.052 120.500 -0.116 0.000 3.651 157 R HA -0.172 4.169 4.340 0.002 0.000 0.292 157 R C -0.616 175.596 176.300 -0.146 0.000 1.161 157 R CA 0.713 56.761 56.100 -0.087 0.000 0.787 157 R CB -1.793 28.484 30.300 -0.038 0.000 1.249 157 R HN 0.202 nan 8.270 nan 0.000 0.476 158 K N 0.775 120.994 120.400 -0.302 0.000 2.559 158 K HA 0.499 4.820 4.320 0.002 0.000 0.249 158 K C -0.830 175.575 176.600 -0.324 0.000 0.958 158 K CA -0.585 55.292 56.287 -0.682 0.000 0.901 158 K CB 2.328 33.977 32.500 -1.417 0.000 1.124 158 K HN -0.137 nan 8.250 nan 0.000 0.437 159 V N 1.694 121.633 119.914 0.043 0.000 2.760 159 V HA 0.446 4.567 4.120 0.002 0.000 0.309 159 V C -0.010 176.275 176.094 0.319 0.000 1.077 159 V CA -1.213 61.172 62.300 0.141 0.000 0.910 159 V CB 1.833 33.697 31.823 0.070 0.000 1.008 159 V HN 0.899 nan 8.190 nan 0.000 0.424 160 A N 2.997 125.980 122.820 0.273 0.000 2.536 160 A HA 0.603 4.924 4.320 0.002 0.000 0.234 160 A C 0.899 178.574 177.584 0.153 0.000 1.076 160 A CA 0.612 52.788 52.037 0.232 0.000 0.769 160 A CB 0.073 19.183 19.000 0.184 0.000 1.020 160 A HN 1.753 nan 8.150 nan 0.000 0.508 161 A N 0.758 123.650 122.820 0.121 0.000 2.531 161 A HA 0.435 4.756 4.320 0.002 0.000 0.236 161 A C 1.674 179.293 177.584 0.058 0.000 1.062 161 A CA 0.475 52.561 52.037 0.081 0.000 0.760 161 A CB -0.523 18.515 19.000 0.063 0.000 0.995 161 A HN 2.193 nan 8.150 nan 0.000 0.501 162 A N 1.882 124.727 122.820 0.042 0.000 1.927 162 A HA -0.248 4.073 4.320 0.002 0.000 0.220 162 A C 2.222 179.816 177.584 0.017 0.000 1.185 162 A CA 2.154 54.205 52.037 0.023 0.000 0.639 162 A CB -0.581 18.429 19.000 0.017 0.000 0.820 162 A HN 0.980 nan 8.150 nan 0.000 0.451 163 R N -1.048 119.460 120.500 0.014 0.000 2.103 163 R HA -0.212 4.129 4.340 0.002 0.000 0.242 163 R C 2.182 178.480 176.300 -0.003 0.000 1.142 163 R CA 1.911 58.011 56.100 -0.000 0.000 0.960 163 R CB -0.251 30.038 30.300 -0.019 0.000 0.858 163 R HN 0.567 nan 8.270 nan 0.000 0.439 164 Q N 0.217 120.023 119.800 0.010 0.000 2.123 164 Q HA -0.060 4.281 4.340 0.002 0.000 0.199 164 Q C 2.249 178.265 176.000 0.028 0.000 0.966 164 Q CA 1.097 56.908 55.803 0.015 0.000 0.845 164 Q CB -0.066 28.698 28.738 0.044 0.000 0.907 164 Q HN 0.479 nan 8.270 nan 0.000 0.439 165 I N 0.380 120.970 120.570 0.034 0.000 2.226 165 I HA -0.276 3.895 4.170 0.002 0.000 0.245 165 I C 2.512 178.638 176.117 0.015 0.000 1.100 165 I CA 1.092 62.411 61.300 0.031 0.000 1.374 165 I CB -0.226 37.783 38.000 0.015 0.000 1.057 165 I HN 0.145 nan 8.210 nan 0.000 0.413 166 R N 0.446 120.949 120.500 0.006 0.000 2.081 166 R HA -0.143 4.198 4.340 0.002 0.000 0.235 166 R C 2.322 178.620 176.300 -0.004 0.000 1.131 166 R CA 1.264 57.364 56.100 -0.000 0.000 0.960 166 R CB -0.168 30.131 30.300 -0.001 0.000 0.856 166 R HN 0.282 nan 8.270 nan 0.000 0.436 167 I N 0.345 120.912 120.570 -0.005 0.000 2.179 167 I HA -0.214 3.957 4.170 0.002 0.000 0.242 167 I C 2.304 178.408 176.117 -0.021 0.000 1.088 167 I CA 1.370 62.662 61.300 -0.013 0.000 1.357 167 I CB -0.713 37.274 38.000 -0.021 0.000 1.051 167 I HN 0.007 nan 8.210 nan 0.000 0.409 168 V N 1.138 121.050 119.914 -0.003 0.000 2.427 168 V HA -0.227 3.894 4.120 0.002 0.000 0.248 168 V C 2.458 178.544 176.094 -0.013 0.000 1.051 168 V CA 1.303 63.604 62.300 0.001 0.000 1.048 168 V CB -0.332 31.530 31.823 0.066 0.000 0.666 168 V HN 0.274 nan 8.190 nan 0.000 0.456 169 I N -0.130 120.442 120.570 0.004 0.000 2.163 169 I HA -0.237 3.935 4.170 0.002 0.000 0.243 169 I C 2.725 178.821 176.117 -0.035 0.000 1.085 169 I CA 1.734 63.035 61.300 0.002 0.000 1.347 169 I CB -0.420 37.584 38.000 0.006 0.000 1.044 169 I HN 0.346 nan 8.210 nan 0.000 0.408 170 E N 1.005 121.179 120.200 -0.044 0.000 2.051 170 E HA -0.257 4.094 4.350 0.002 0.000 0.192 170 E C 2.139 178.663 176.600 -0.127 0.000 0.991 170 E CA 1.687 58.051 56.400 -0.059 0.000 0.799 170 E CB -0.079 29.599 29.700 -0.037 0.000 0.748 170 E HN 0.565 nan 8.360 nan 0.000 0.449 171 Q N -0.420 119.269 119.800 -0.184 0.000 2.050 171 Q HA -0.119 4.223 4.340 0.002 0.000 0.202 171 Q C 2.300 177.852 176.000 -0.747 0.000 0.980 171 Q CA 2.249 57.828 55.803 -0.374 0.000 0.840 171 Q CB -0.255 28.281 28.738 -0.337 0.000 0.898 171 Q HN 0.434 nan 8.270 nan 0.000 0.424 172 T N -2.488 111.725 114.554 -0.568 0.000 2.915 172 T HA -0.045 4.306 4.350 0.002 0.000 0.269 172 T C 1.861 176.442 174.700 -0.197 0.000 1.071 172 T CA 1.046 62.830 62.100 -0.527 0.000 1.132 172 T CB -0.410 68.452 68.868 -0.011 0.000 0.878 172 T HN 0.331 nan 8.240 nan 0.000 0.479 173 G N 1.520 110.252 108.800 -0.114 0.000 2.422 173 G HA2 -0.113 3.848 3.960 0.002 0.000 0.218 173 G HA3 -0.113 3.848 3.960 0.002 0.000 0.218 173 G C 1.916 176.812 174.900 -0.007 0.000 1.140 173 G CA -0.016 45.074 45.100 -0.017 0.000 0.775 173 G HN 0.355 nan 8.290 nan 0.000 0.545 174 R N -0.036 120.425 120.500 -0.066 0.000 2.066 174 R HA -0.040 4.301 4.340 0.002 0.000 0.232 174 R C 2.230 178.607 176.300 0.128 0.000 1.131 174 R CA 0.834 56.940 56.100 0.010 0.000 0.955 174 R CB -1.165 29.131 30.300 -0.007 0.000 0.851 174 R HN 0.414 nan 8.270 nan 0.000 0.432 175 Y N 0.976 121.255 120.300 -0.035 0.000 2.151 175 Y HA -0.116 4.435 4.550 0.002 0.000 0.284 175 Y C 2.365 178.365 175.900 0.166 0.000 1.166 175 Y CA 0.708 58.795 58.100 -0.022 0.000 1.163 175 Y CB -1.003 37.294 38.460 -0.271 0.000 0.974 175 Y HN 0.101 nan 8.280 nan 0.000 0.511 176 A N -0.386 122.616 122.820 0.303 0.000 2.218 176 A HA 0.435 4.756 4.320 0.002 0.000 0.209 176 A C 1.599 179.287 177.584 0.174 0.000 1.168 176 A CA 0.415 52.613 52.037 0.268 0.000 0.804 176 A CB -0.843 18.297 19.000 0.235 0.000 0.834 176 A HN 0.234 nan 8.150 nan 0.000 0.482 177 A N 0.528 123.430 122.820 0.136 0.000 2.327 177 A HA 0.345 4.667 4.320 0.002 0.000 0.255 177 A C 1.267 178.898 177.584 0.079 0.000 1.099 177 A CA 0.317 52.407 52.037 0.088 0.000 0.801 177 A CB 0.127 19.166 19.000 0.065 0.000 1.062 177 A HN 0.598 nan 8.150 nan 0.000 0.496 178 E N 0.147 120.379 120.200 0.054 0.000 2.118 178 E HA -0.240 4.111 4.350 0.002 0.000 0.195 178 E C 0.210 176.829 176.600 0.032 0.000 0.992 178 E CA 1.592 58.016 56.400 0.039 0.000 0.804 178 E CB -0.235 29.482 29.700 0.027 0.000 0.741 178 E HN 0.733 nan 8.360 nan 0.000 0.458 179 D N 0.414 120.833 120.400 0.032 0.000 2.538 179 D HA 0.161 4.802 4.640 0.002 0.000 0.231 179 D C 0.640 176.957 176.300 0.029 0.000 1.229 179 D CA -0.057 53.956 54.000 0.020 0.000 0.828 179 D CB 0.280 41.090 40.800 0.016 0.000 1.035 179 D HN 0.166 nan 8.370 nan 0.000 0.495 180 G N 0.190 109.023 108.800 0.055 0.000 2.531 180 G HA2 0.243 4.204 3.960 0.002 0.000 0.281 180 G HA3 0.243 4.204 3.960 0.002 0.000 0.281 180 G C 0.318 175.247 174.900 0.048 0.000 1.382 180 G CA -0.722 44.430 45.100 0.086 0.000 1.045 180 G HN 0.039 nan 8.290 nan 0.000 0.533 181 F N -0.424 119.459 119.950 -0.112 0.000 2.065 181 F HA -0.077 4.452 4.527 0.002 0.000 0.298 181 F C 2.309 177.893 175.800 -0.361 0.000 1.112 181 F CA 1.822 59.628 58.000 -0.324 0.000 1.212 181 F CB -0.311 38.322 39.000 -0.612 0.000 0.975 181 F HN 0.275 nan 8.300 nan 0.000 0.476 182 F N 0.137 119.989 119.950 -0.165 0.000 2.206 182 F HA -0.031 4.497 4.527 0.002 0.000 0.298 182 F C 2.565 178.236 175.800 -0.215 0.000 1.090 182 F CA 0.948 58.785 58.000 -0.272 0.000 1.323 182 F CB -1.131 37.832 39.000 -0.062 0.000 1.028 182 F HN 0.078 nan 8.300 nan 0.000 0.492 183 A N 0.025 122.872 122.820 0.046 0.000 1.902 183 A HA -0.121 4.200 4.320 0.002 0.000 0.217 183 A C 1.488 179.027 177.584 -0.075 0.000 1.181 183 A CA 0.986 53.023 52.037 0.001 0.000 0.623 183 A CB -0.541 18.475 19.000 0.027 0.000 0.818 183 A HN 0.211 nan 8.150 nan 0.000 0.443 187 A N 0.214 122.975 122.820 -0.098 0.000 1.969 187 A HA 0.038 4.359 4.320 0.002 0.000 0.218 187 A C 1.250 178.773 177.584 -0.102 0.000 1.169 187 A CA 2.077 54.062 52.037 -0.088 0.000 0.635 187 A CB -0.308 18.655 19.000 -0.063 0.000 0.810 187 A HN 0.367 nan 8.150 nan 0.000 0.445 188 D N -0.423 119.912 120.400 -0.107 0.000 2.369 188 D HA 0.333 4.974 4.640 0.002 0.000 0.211 188 D C 0.661 176.893 176.300 -0.114 0.000 1.077 188 D CA 0.555 54.503 54.000 -0.088 0.000 0.842 188 D CB -0.025 40.742 40.800 -0.055 0.000 0.947 188 D HN 0.387 nan 8.370 nan 0.000 0.509 189 A N 1.174 123.858 122.820 -0.227 0.000 2.546 189 A HA 0.382 4.704 4.320 0.002 0.000 0.243 189 A C 0.727 178.063 177.584 -0.413 0.000 1.063 189 A CA 0.186 51.931 52.037 -0.485 0.000 0.757 189 A CB 0.088 18.501 19.000 -0.977 0.000 0.991 189 A HN 0.156 nan 8.150 nan 0.000 0.503 190 S N 1.183 116.720 115.700 -0.272 0.000 2.618 190 S HA 0.747 5.218 4.470 0.002 0.000 0.277 190 S C -1.192 173.418 174.600 0.017 0.000 1.138 190 S CA -0.767 57.343 58.200 -0.150 0.000 0.844 190 S CB 1.472 64.654 63.200 -0.030 0.000 1.127 190 S HN 1.293 nan 8.310 nan 0.000 0.474 191 L N 1.445 122.675 121.223 0.011 0.000 2.441 191 L HA 0.750 5.091 4.340 0.002 0.000 0.270 191 L C 0.640 177.551 176.870 0.069 0.000 0.973 191 L CA 1.151 56.068 54.840 0.127 0.000 0.842 191 L CB 0.795 42.908 42.059 0.091 0.000 1.239 191 L HN 1.502 nan 8.230 nan 0.000 0.406 192 G N 3.059 111.909 108.800 0.084 0.000 2.305 192 G HA2 -0.259 3.703 3.960 0.002 0.000 0.287 192 G HA3 -0.259 3.703 3.960 0.002 0.000 0.287 192 G C 0.383 175.301 174.900 0.031 0.000 1.036 192 G CA 0.388 45.518 45.100 0.049 0.000 0.887 192 G HN 0.898 nan 8.290 nan 0.000 0.505 193 D N -2.863 117.558 120.400 0.036 0.000 2.911 193 D HA -0.154 4.488 4.640 0.002 0.000 0.227 193 D C 0.739 177.037 176.300 -0.003 0.000 1.164 193 D CA 2.156 56.166 54.000 0.018 0.000 0.782 193 D CB -1.522 39.289 40.800 0.018 0.000 1.094 193 D HN 1.833 nan 8.370 nan 0.000 0.425 194 A N -0.655 122.157 122.820 -0.014 0.000 2.515 194 A HA 0.736 5.058 4.320 0.002 0.000 0.296 194 A C -2.670 174.875 177.584 -0.066 0.000 1.094 194 A CA -1.362 50.655 52.037 -0.033 0.000 0.718 194 A CB 1.752 20.737 19.000 -0.025 0.000 1.307 194 A HN -0.170 nan 8.150 nan 0.000 0.408 195 P HA 0.270 nan 4.420 nan 0.000 0.269 195 P C -0.405 176.809 177.300 -0.145 0.000 1.215 195 P CA -0.083 62.944 63.100 -0.121 0.000 0.780 195 P CB 0.316 31.958 31.700 -0.096 0.000 0.898 196 L N 3.371 124.459 121.223 -0.224 0.000 2.467 196 L HA 0.158 4.499 4.340 0.002 0.000 0.270 196 L C -1.717 175.072 176.870 -0.135 0.000 1.205 196 L CA -1.627 53.072 54.840 -0.236 0.000 0.828 196 L CB -0.557 41.281 42.059 -0.368 0.000 1.101 196 L HN 0.270 nan 8.230 nan 0.000 0.479 197 P HA -0.008 nan 4.420 nan 0.000 0.268 197 P C 0.084 177.347 177.300 -0.062 0.000 1.208 197 P CA -0.048 63.016 63.100 -0.060 0.000 0.777 197 P CB 0.682 32.360 31.700 -0.037 0.000 0.875 198 A N 2.258 125.049 122.820 -0.048 0.000 1.940 198 A HA -0.242 4.079 4.320 0.002 0.000 0.219 198 A C 2.134 179.699 177.584 -0.032 0.000 1.176 198 A CA 1.904 53.915 52.037 -0.043 0.000 0.631 198 A CB -1.135 17.846 19.000 -0.033 0.000 0.814 198 A HN 0.703 nan 8.150 nan 0.000 0.446 199 E N -0.564 119.623 120.200 -0.022 0.000 2.077 199 E HA -0.135 4.217 4.350 0.002 0.000 0.193 199 E C 1.899 178.497 176.600 -0.003 0.000 0.989 199 E CA 1.377 57.771 56.400 -0.010 0.000 0.800 199 E CB -0.150 29.547 29.700 -0.004 0.000 0.746 199 E HN 0.328 nan 8.360 nan 0.000 0.452 200 V N 0.565 120.475 119.914 -0.006 0.000 2.453 200 V HA -0.209 3.912 4.120 0.002 0.000 0.247 200 V C 2.361 178.450 176.094 -0.008 0.000 1.048 200 V CA 2.162 64.471 62.300 0.014 0.000 1.049 200 V CB -0.157 31.688 31.823 0.036 0.000 0.672 200 V HN 0.301 nan 8.190 nan 0.000 0.457 201 Q N 0.501 120.265 119.800 -0.061 0.000 2.112 201 Q HA -0.251 4.090 4.340 0.002 0.000 0.206 201 Q C 1.789 177.765 176.000 -0.039 0.000 0.987 201 Q CA 2.691 58.442 55.803 -0.086 0.000 0.858 201 Q CB -0.555 28.120 28.738 -0.105 0.000 0.905 201 Q HN 0.711 nan 8.270 nan 0.000 0.420 202 D N -0.440 119.947 120.400 -0.022 0.000 2.144 202 D HA -0.112 4.529 4.640 0.002 0.000 0.200 202 D C 1.641 177.949 176.300 0.013 0.000 0.978 202 D CA 1.058 55.054 54.000 -0.006 0.000 0.833 202 D CB -0.047 40.751 40.800 -0.004 0.000 0.961 202 D HN 0.355 nan 8.370 nan 0.000 0.470 203 K N 0.169 120.585 120.400 0.027 0.000 2.057 203 K HA -0.130 4.192 4.320 0.002 0.000 0.207 203 K C 2.055 178.699 176.600 0.072 0.000 1.049 203 K CA 0.460 56.779 56.287 0.053 0.000 0.931 203 K CB -0.160 32.381 32.500 0.068 0.000 0.714 203 K HN 0.031 nan 8.250 nan 0.000 0.440 204 L N 1.955 123.222 121.223 0.072 0.000 2.017 204 L HA -0.191 4.150 4.340 0.002 0.000 0.208 204 L C 1.475 178.379 176.870 0.056 0.000 1.073 204 L CA 1.940 56.835 54.840 0.093 0.000 0.745 204 L CB -0.465 41.636 42.059 0.070 0.000 0.894 204 L HN 0.121 nan 8.230 nan 0.000 0.432 205 D N -0.183 120.229 120.400 0.020 0.000 2.123 205 D HA -0.189 4.452 4.640 0.002 0.000 0.196 205 D C 2.176 178.489 176.300 0.022 0.000 0.992 205 D CA 1.620 55.627 54.000 0.010 0.000 0.833 205 D CB -0.274 40.523 40.800 -0.005 0.000 0.954 205 D HN 0.491 nan 8.370 nan 0.000 0.455 206 A N 0.707 123.544 122.820 0.028 0.000 1.898 206 A HA -0.001 4.320 4.320 0.002 0.000 0.216 206 A C 2.383 179.987 177.584 0.034 0.000 1.181 206 A CA 2.102 54.156 52.037 0.028 0.000 0.620 206 A CB -1.027 17.991 19.000 0.030 0.000 0.819 206 A HN 0.311 nan 8.150 nan 0.000 0.442 207 G N -0.513 108.322 108.800 0.058 0.000 2.404 207 G HA2 -0.159 3.802 3.960 0.002 0.000 0.215 207 G HA3 -0.159 3.802 3.960 0.002 0.000 0.215 207 G C 1.755 176.676 174.900 0.036 0.000 1.174 207 G CA 1.991 47.135 45.100 0.073 0.000 0.780 207 G HN 0.664 nan 8.290 nan 0.000 0.537 208 T N -1.395 113.186 114.554 0.046 0.000 2.867 208 T HA -0.046 4.305 4.350 0.002 0.000 0.268 208 T C 2.475 177.161 174.700 -0.023 0.000 1.057 208 T CA 1.753 63.867 62.100 0.022 0.000 1.136 208 T CB -0.290 68.630 68.868 0.086 0.000 0.874 208 T HN 0.120 nan 8.240 nan 0.000 0.466 209 S N 1.584 117.284 115.700 -0.000 0.000 2.368 209 S HA 0.145 4.616 4.470 0.002 0.000 0.224 209 S C 2.610 177.197 174.600 -0.022 0.000 1.029 209 S CA 0.919 59.118 58.200 -0.000 0.000 0.988 209 S CB -0.767 62.438 63.200 0.009 0.000 0.838 209 S HN 0.764 nan 8.310 nan 0.000 0.462 210 A N 1.555 124.357 122.820 -0.030 0.000 1.902 210 A HA 0.103 4.425 4.320 0.002 0.000 0.217 210 A C 2.350 179.873 177.584 -0.101 0.000 1.181 210 A CA 1.719 53.731 52.037 -0.042 0.000 0.623 210 A CB -1.120 17.870 19.000 -0.017 0.000 0.818 210 A HN 0.511 nan 8.150 nan 0.000 0.443 211 A N -0.095 122.606 122.820 -0.199 0.000 1.908 211 A HA -0.200 4.121 4.320 0.002 0.000 0.218 211 A C 2.249 179.663 177.584 -0.284 0.000 1.181 211 A CA 1.639 53.423 52.037 -0.421 0.000 0.627 211 A CB -0.512 17.860 19.000 -1.048 0.000 0.818 211 A HN 0.566 nan 8.150 nan 0.000 0.445 212 R N -0.221 120.182 120.500 -0.162 0.000 2.080 212 R HA -0.111 4.231 4.340 0.002 0.000 0.236 212 R C 2.559 178.904 176.300 0.074 0.000 1.137 212 R CA 1.748 57.881 56.100 0.056 0.000 0.943 212 R CB -0.552 29.798 30.300 0.084 0.000 0.846 212 R HN 0.531 nan 8.270 nan 0.000 0.431 213 S N 0.822 116.534 115.700 0.019 0.000 2.370 213 S HA -0.172 4.299 4.470 0.002 0.000 0.226 213 S C 2.107 176.713 174.600 0.010 0.000 1.033 213 S CA 1.307 59.519 58.200 0.021 0.000 1.011 213 S CB -0.241 62.960 63.200 0.002 0.000 0.852 213 S HN 0.497 nan 8.310 nan 0.000 0.457 214 A N 0.360 123.156 122.820 -0.041 0.000 1.898 214 A HA -0.060 4.261 4.320 0.002 0.000 0.216 214 A C 1.898 179.428 177.584 -0.089 0.000 1.181 214 A CA 1.232 53.208 52.037 -0.102 0.000 0.620 214 A CB -0.925 17.954 19.000 -0.201 0.000 0.819 214 A HN 0.564 nan 8.150 nan 0.000 0.442 215 Y N 0.412 120.726 120.300 0.022 0.000 2.293 215 Y HA -0.159 4.392 4.550 0.002 0.000 0.291 215 Y C 3.015 178.964 175.900 0.081 0.000 1.137 215 Y CA 1.412 59.569 58.100 0.095 0.000 1.202 215 Y CB -0.023 38.560 38.460 0.205 0.000 0.990 215 Y HN 0.299 nan 8.280 nan 0.000 0.537 216 S N -0.273 115.551 115.700 0.205 0.000 2.368 216 S HA -0.234 4.237 4.470 0.002 0.000 0.225 216 S C 2.289 176.949 174.600 0.099 0.000 1.030 216 S CA 0.986 59.265 58.200 0.133 0.000 0.999 216 S CB -0.540 62.719 63.200 0.098 0.000 0.844 216 S HN 0.537 nan 8.310 nan 0.000 0.459 217 A N 1.273 124.135 122.820 0.070 0.000 1.902 217 A HA -0.040 4.281 4.320 0.002 0.000 0.217 217 A C 2.115 179.751 177.584 0.088 0.000 1.181 217 A CA 1.344 53.415 52.037 0.056 0.000 0.623 217 A CB -0.674 18.331 19.000 0.008 0.000 0.818 217 A HN 0.431 nan 8.150 nan 0.000 0.443 218 L N 0.185 121.455 121.223 0.078 0.000 2.017 218 L HA -0.015 4.326 4.340 0.002 0.000 0.208 218 L C 2.410 179.392 176.870 0.187 0.000 1.073 218 L CA 2.401 57.317 54.840 0.126 0.000 0.745 218 L CB -1.155 40.970 42.059 0.110 0.000 0.894 218 L HN 0.303 nan 8.230 nan 0.000 0.432 219 G N -0.750 108.144 108.800 0.156 0.000 2.513 219 G HA2 -0.381 3.580 3.960 0.002 0.000 0.219 219 G HA3 -0.381 3.580 3.960 0.002 0.000 0.219 219 G C 1.596 176.547 174.900 0.086 0.000 1.160 219 G CA 1.222 46.389 45.100 0.112 0.000 0.767 219 G HN 0.690 nan 8.290 nan 0.000 0.571 220 A N 0.179 123.056 122.820 0.094 0.000 1.898 220 A HA 0.109 4.430 4.320 0.002 0.000 0.216 220 A C 2.206 179.835 177.584 0.075 0.000 1.181 220 A CA 1.676 53.756 52.037 0.071 0.000 0.620 220 A CB -0.530 18.514 19.000 0.073 0.000 0.819 220 A HN 0.495 nan 8.150 nan 0.000 0.442 221 F N 0.675 120.616 119.950 -0.014 0.000 2.102 221 F HA -0.120 4.408 4.527 0.002 0.000 0.298 221 F C 1.875 177.657 175.800 -0.030 0.000 1.105 221 F CA 1.648 59.630 58.000 -0.030 0.000 1.239 221 F CB -0.313 38.655 39.000 -0.053 0.000 0.991 221 F HN 0.135 nan 8.300 nan 0.000 0.474 222 L N 0.154 121.326 121.223 -0.085 0.000 2.012 222 L HA -0.233 4.108 4.340 0.002 0.000 0.210 222 L C 2.782 179.537 176.870 -0.193 0.000 1.073 222 L CA 1.910 56.643 54.840 -0.179 0.000 0.748 222 L CB -0.776 41.297 42.059 0.023 0.000 0.891 222 L HN 0.146 nan 8.230 nan 0.000 0.431 223 R N 0.083 120.524 120.500 -0.099 0.000 2.083 223 R HA -0.184 4.158 4.340 0.002 0.000 0.237 223 R C 1.788 178.020 176.300 -0.114 0.000 1.137 223 R CA 2.133 58.185 56.100 -0.080 0.000 0.951 223 R CB -0.056 30.224 30.300 -0.034 0.000 0.851 223 R HN 0.343 nan 8.270 nan 0.000 0.434 224 D N -0.669 119.651 120.400 -0.133 0.000 2.240 224 D HA -0.045 4.596 4.640 0.002 0.000 0.206 224 D C 1.418 177.609 176.300 -0.180 0.000 0.963 224 D CA 1.000 54.929 54.000 -0.118 0.000 0.863 224 D CB 0.212 40.973 40.800 -0.065 0.000 0.973 224 D HN 0.419 nan 8.370 nan 0.000 0.501 225 E N -0.552 119.437 120.200 -0.351 0.000 2.290 225 E HA 0.064 4.415 4.350 0.002 0.000 0.199 225 E C 1.606 177.959 176.600 -0.411 0.000 0.912 225 E CA -0.071 56.092 56.400 -0.394 0.000 0.924 225 E CB 0.540 29.927 29.700 -0.522 0.000 0.901 225 E HN 0.005 nan 8.360 nan 0.000 0.487 226 L N 0.755 121.651 121.223 -0.544 0.000 2.189 226 L HA 0.013 4.354 4.340 0.002 0.000 0.199 226 L C 2.104 178.870 176.870 -0.174 0.000 1.074 226 L CA 0.793 55.427 54.840 -0.343 0.000 0.783 226 L CB -0.375 41.467 42.059 -0.362 0.000 0.955 226 L HN 0.105 nan 8.230 nan 0.000 0.460 227 L N 0.714 121.843 121.223 -0.157 0.000 2.043 227 L HA -0.145 4.196 4.340 0.002 0.000 0.212 227 L C -0.637 176.195 176.870 -0.063 0.000 1.075 227 L CA 2.234 57.025 54.840 -0.083 0.000 0.752 227 L CB -1.783 40.233 42.059 -0.071 0.000 0.891 227 L HN 0.169 nan 8.230 nan 0.000 0.432 228 P HA -0.077 nan 4.420 nan 0.000 0.225 228 P C 1.232 178.509 177.300 -0.037 0.000 1.148 228 P CA 1.433 64.502 63.100 -0.051 0.000 0.779 228 P CB -0.062 31.603 31.700 -0.058 0.000 0.780 229 V N -5.655 114.233 119.914 -0.044 0.000 3.427 229 V HA 0.548 4.669 4.120 0.002 0.000 0.305 229 V C 0.729 176.822 176.094 -0.001 0.000 1.412 229 V CA -0.480 61.807 62.300 -0.022 0.000 1.086 229 V CB -0.868 30.937 31.823 -0.030 0.000 0.964 229 V HN -0.081 nan 8.190 nan 0.000 0.439 230 A N 2.803 125.622 122.820 -0.001 0.000 2.425 230 A HA 0.643 4.964 4.320 0.002 0.000 0.249 230 A C -1.881 175.728 177.584 0.042 0.000 1.084 230 A CA -1.041 51.012 52.037 0.027 0.000 0.781 230 A CB -0.370 18.641 19.000 0.018 0.000 1.019 230 A HN 0.465 nan 8.150 nan 0.000 0.490 231 P HA 0.110 nan 4.420 nan 0.000 0.271 231 P C 0.292 177.622 177.300 0.050 0.000 1.216 231 P CA -0.139 63.000 63.100 0.064 0.000 0.776 231 P CB 0.854 32.608 31.700 0.090 0.000 0.881 232 E N 1.379 121.603 120.200 0.039 0.000 2.107 232 E HA -0.094 4.257 4.350 0.002 0.000 0.191 232 E C 0.709 177.331 176.600 0.036 0.000 0.982 232 E CA 0.858 57.278 56.400 0.034 0.000 0.809 232 E CB -0.072 29.645 29.700 0.029 0.000 0.756 232 E HN 0.468 nan 8.360 nan 0.000 0.459 233 K N 2.006 122.430 120.400 0.039 0.000 2.416 233 K HA -0.051 4.270 4.320 0.002 0.000 0.283 233 K C 0.287 176.909 176.600 0.038 0.000 1.037 233 K CA 0.100 56.409 56.287 0.035 0.000 0.995 233 K CB 0.535 33.057 32.500 0.036 0.000 0.938 233 K HN -0.125 nan 8.250 nan 0.000 0.475 234 D N 3.042 123.457 120.400 0.024 0.000 2.162 234 D HA -0.063 4.578 4.640 0.002 0.000 0.203 234 D C 0.317 176.658 176.300 0.069 0.000 0.967 234 D CA 0.509 54.526 54.000 0.030 0.000 0.840 234 D CB 0.010 40.797 40.800 -0.020 0.000 0.972 234 D HN 0.669 nan 8.370 nan 0.000 0.482 235 A N 1.424 124.258 122.820 0.023 0.000 2.546 235 A HA 0.122 4.443 4.320 0.002 0.000 0.243 235 A C 1.547 179.226 177.584 0.158 0.000 1.063 235 A CA 0.061 52.153 52.037 0.091 0.000 0.757 235 A CB 0.467 19.460 19.000 -0.010 0.000 0.991 235 A HN 0.117 nan 8.150 nan 0.000 0.503 236 V N 1.400 121.482 119.914 0.279 0.000 3.354 236 V HA 0.526 4.647 4.120 0.002 0.000 0.258 236 V C 1.068 177.137 176.094 -0.042 0.000 1.159 236 V CA 0.799 63.096 62.300 -0.004 0.000 1.125 236 V CB -1.550 30.178 31.823 -0.158 0.000 0.774 236 V HN 2.612 nan 8.190 nan 0.000 0.464 237 G N 0.621 109.443 108.800 0.037 0.000 2.699 237 G HA2 -0.223 3.738 3.960 0.002 0.000 0.686 237 G HA3 -0.223 3.738 3.960 0.002 0.000 0.686 237 G C 0.265 175.185 174.900 0.032 0.000 1.301 237 G CA 0.212 45.318 45.100 0.010 0.000 0.816 237 G HN 0.567 nan 8.290 nan 0.000 0.595 238 R N 0.209 120.722 120.500 0.021 0.000 2.083 238 R HA -0.118 4.223 4.340 0.002 0.000 0.237 238 R C 2.324 178.664 176.300 0.066 0.000 1.137 238 R CA 2.373 58.500 56.100 0.045 0.000 0.951 238 R CB -0.306 30.005 30.300 0.019 0.000 0.851 238 R HN 0.752 nan 8.270 nan 0.000 0.434 239 E N 0.034 120.253 120.200 0.031 0.000 2.028 239 E HA -0.195 4.156 4.350 0.002 0.000 0.191 239 E C 2.158 178.756 176.600 -0.004 0.000 0.988 239 E CA 1.248 57.662 56.400 0.024 0.000 0.799 239 E CB 0.080 29.798 29.700 0.031 0.000 0.755 239 E HN 0.324 nan 8.360 nan 0.000 0.447 240 R N -0.727 119.732 120.500 -0.068 0.000 2.105 240 R HA -0.186 4.156 4.340 0.002 0.000 0.239 240 R C 2.357 178.587 176.300 -0.117 0.000 1.135 240 R CA 1.585 57.590 56.100 -0.158 0.000 0.967 240 R CB -0.494 29.577 30.300 -0.383 0.000 0.861 240 R HN 0.326 nan 8.270 nan 0.000 0.442 241 Y N 0.925 121.145 120.300 -0.135 0.000 2.145 241 Y HA -0.243 4.308 4.550 0.002 0.000 0.286 241 Y C 2.775 178.640 175.900 -0.059 0.000 1.145 241 Y CA 1.843 59.875 58.100 -0.114 0.000 1.148 241 Y CB -0.339 38.071 38.460 -0.084 0.000 0.981 241 Y HN -0.033 nan 8.280 nan 0.000 0.507 242 S N -0.230 115.520 115.700 0.083 0.000 2.383 242 S HA -0.185 4.286 4.470 0.002 0.000 0.229 242 S C 2.013 176.577 174.600 -0.060 0.000 1.030 242 S CA 1.620 59.845 58.200 0.041 0.000 1.002 242 S CB -0.554 62.687 63.200 0.068 0.000 0.829 242 S HN 0.505 nan 8.310 nan 0.000 0.467 243 L N 0.728 121.907 121.223 -0.073 0.000 2.056 243 L HA -0.026 4.315 4.340 0.002 0.000 0.207 243 L C 2.932 179.713 176.870 -0.148 0.000 1.078 243 L CA 1.171 55.961 54.840 -0.083 0.000 0.749 243 L CB -0.736 41.296 42.059 -0.046 0.000 0.901 243 L HN 0.385 nan 8.230 nan 0.000 0.433 244 A N -0.744 121.952 122.820 -0.207 0.000 1.877 244 A HA -0.246 4.076 4.320 0.002 0.000 0.216 244 A C 2.543 179.993 177.584 -0.223 0.000 1.186 244 A CA 2.052 53.949 52.037 -0.233 0.000 0.620 244 A CB -0.783 18.072 19.000 -0.242 0.000 0.822 244 A HN 0.361 nan 8.150 nan 0.000 0.443 245 S N -0.540 114.966 115.700 -0.323 0.000 2.365 245 S HA -0.245 4.226 4.470 0.002 0.000 0.225 245 S C 2.184 176.728 174.600 -0.093 0.000 1.039 245 S CA 1.799 59.884 58.200 -0.192 0.000 1.033 245 S CB -0.354 62.744 63.200 -0.170 0.000 0.887 245 S HN 0.615 nan 8.310 nan 0.000 0.447 246 R N 0.727 121.158 120.500 -0.114 0.000 2.105 246 R HA -0.076 4.266 4.340 0.002 0.000 0.239 246 R C 2.837 179.038 176.300 -0.165 0.000 1.135 246 R CA 1.643 57.681 56.100 -0.103 0.000 0.967 246 R CB -0.524 29.727 30.300 -0.080 0.000 0.861 246 R HN 0.673 nan 8.270 nan 0.000 0.442 247 S N 0.182 115.716 115.700 -0.278 0.000 2.382 247 S HA -0.129 4.342 4.470 0.002 0.000 0.228 247 S C 1.664 175.927 174.600 -0.562 0.000 1.027 247 S CA 1.061 58.990 58.200 -0.451 0.000 0.991 247 S CB -0.303 62.519 63.200 -0.630 0.000 0.823 247 S HN 0.233 nan 8.310 nan 0.000 0.469 248 F N 0.761 120.599 119.950 -0.186 0.000 2.664 248 F HA 0.477 5.005 4.527 0.002 0.000 0.296 248 F C 1.835 177.512 175.800 -0.204 0.000 1.125 248 F CA -0.018 57.846 58.000 -0.225 0.000 1.444 248 F CB -0.107 38.715 39.000 -0.296 0.000 1.114 248 F HN 0.226 nan 8.300 nan 0.000 0.576 249 I N -1.795 118.758 120.570 -0.029 0.000 4.244 249 I HA 0.252 4.423 4.170 0.002 0.000 0.318 249 I C 1.696 177.772 176.117 -0.068 0.000 1.282 249 I CA 0.510 61.788 61.300 -0.038 0.000 1.276 249 I CB -0.064 37.931 38.000 -0.009 0.000 1.183 249 I HN 0.076 nan 8.210 nan 0.000 0.431 250 G N 2.448 111.199 108.800 -0.082 0.000 2.249 250 G HA2 -0.136 3.825 3.960 0.002 0.000 0.273 250 G HA3 -0.136 3.825 3.960 0.002 0.000 0.273 250 G C 0.098 174.962 174.900 -0.060 0.000 1.036 250 G CA 0.396 45.452 45.100 -0.073 0.000 0.824 250 G HN 0.679 nan 8.290 nan 0.000 0.504 251 A N -0.908 121.882 122.820 -0.051 0.000 2.520 251 A HA 0.781 5.102 4.320 0.002 0.000 0.298 251 A C -0.313 177.255 177.584 -0.027 0.000 1.051 251 A CA -0.043 51.969 52.037 -0.042 0.000 0.690 251 A CB 1.284 20.255 19.000 -0.049 0.000 1.281 251 A HN 0.553 nan 8.150 nan 0.000 0.402 252 E N 1.757 121.946 120.200 -0.019 0.000 1.998 252 E HA 0.421 4.772 4.350 0.002 0.000 0.257 252 E C 0.087 176.692 176.600 0.008 0.000 1.038 252 E CA -0.463 55.935 56.400 -0.003 0.000 0.869 252 E CB 0.266 29.964 29.700 -0.004 0.000 1.135 252 E HN 0.743 nan 8.360 nan 0.000 0.430 253 V N 1.001 120.929 119.914 0.023 0.000 3.133 253 V HA 0.226 4.347 4.120 0.002 0.000 0.305 253 V C 0.415 176.537 176.094 0.046 0.000 1.084 253 V CA -0.783 61.532 62.300 0.025 0.000 1.089 253 V CB 1.455 33.298 31.823 0.033 0.000 1.073 253 V HN 0.491 nan 8.190 nan 0.000 0.477 254 D N 1.542 121.967 120.400 0.041 0.000 2.336 254 D HA 0.212 4.853 4.640 0.002 0.000 0.249 254 D C 0.937 177.288 176.300 0.084 0.000 1.213 254 D CA 0.128 54.160 54.000 0.054 0.000 0.870 254 D CB 1.181 42.008 40.800 0.045 0.000 1.076 254 D HN 0.638 nan 8.370 nan 0.000 0.483 255 L N 3.271 124.545 121.223 0.085 0.000 2.056 255 L HA -0.147 4.194 4.340 0.002 0.000 0.207 255 L C 2.063 179.001 176.870 0.115 0.000 1.078 255 L CA 0.905 55.803 54.840 0.096 0.000 0.749 255 L CB -0.139 41.954 42.059 0.056 0.000 0.901 255 L HN 0.352 nan 8.230 nan 0.000 0.433 256 E N -0.185 120.072 120.200 0.095 0.000 2.072 256 E HA -0.215 4.136 4.350 0.002 0.000 0.191 256 E C 2.134 178.857 176.600 0.205 0.000 0.985 256 E CA 0.804 57.287 56.400 0.139 0.000 0.801 256 E CB -0.072 29.684 29.700 0.093 0.000 0.750 256 E HN 0.269 nan 8.360 nan 0.000 0.452 257 E N 0.081 120.374 120.200 0.155 0.000 2.072 257 E HA -0.147 4.204 4.350 0.002 0.000 0.191 257 E C 1.805 178.537 176.600 0.219 0.000 0.985 257 E CA 1.460 57.956 56.400 0.160 0.000 0.801 257 E CB -0.028 29.733 29.700 0.103 0.000 0.750 257 E HN 0.228 nan 8.360 nan 0.000 0.452 258 T N 0.532 115.215 114.554 0.215 0.000 2.746 258 T HA -0.183 4.168 4.350 0.002 0.000 0.267 258 T C 1.624 176.568 174.700 0.408 0.000 1.039 258 T CA 1.483 63.761 62.100 0.297 0.000 1.142 258 T CB -0.618 68.381 68.868 0.219 0.000 0.866 258 T HN 0.307 nan 8.240 nan 0.000 0.444 259 Y N 2.306 122.717 120.300 0.186 0.000 2.097 259 Y HA -0.136 4.415 4.550 0.002 0.000 0.282 259 Y C 2.548 178.544 175.900 0.160 0.000 1.152 259 Y CA 1.147 59.333 58.100 0.144 0.000 1.136 259 Y CB -0.865 37.641 38.460 0.076 0.000 0.975 259 Y HN 0.176 nan 8.280 nan 0.000 0.498 260 A N -0.134 122.780 122.820 0.157 0.000 1.908 260 A HA -0.276 4.046 4.320 0.002 0.000 0.218 260 A C 2.133 179.754 177.584 0.063 0.000 1.181 260 A CA 1.763 53.827 52.037 0.046 0.000 0.627 260 A CB -1.849 17.234 19.000 0.138 0.000 0.818 260 A HN 0.854 nan 8.150 nan 0.000 0.445 261 W N 0.794 122.100 121.300 0.010 0.000 2.338 261 W HA -0.106 4.555 4.660 0.001 0.000 0.304 261 W C 2.113 178.638 176.519 0.011 0.000 1.212 261 W CA 2.130 59.489 57.345 0.022 0.000 1.264 261 W CB -0.566 28.921 29.460 0.046 0.000 1.142 261 W HN 0.228 nan 8.180 nan 0.000 0.512 262 G N 0.164 108.872 108.800 -0.153 0.000 2.408 262 G HA2 -0.242 3.719 3.960 0.002 0.000 0.217 262 G HA3 -0.242 3.719 3.960 0.002 0.000 0.217 262 G C 1.395 176.089 174.900 -0.343 0.000 1.150 262 G CA 1.568 46.408 45.100 -0.433 0.000 0.776 262 G HN 0.263 nan 8.290 nan 0.000 0.542 263 V N 0.618 120.367 119.914 -0.275 0.000 2.343 263 V HA -0.251 3.870 4.120 0.002 0.000 0.247 263 V C 2.754 178.790 176.094 -0.096 0.000 1.051 263 V CA 2.324 64.532 62.300 -0.153 0.000 1.036 263 V CB -0.506 31.192 31.823 -0.208 0.000 0.654 263 V HN 0.534 nan 8.190 nan 0.000 0.451 264 Q N -0.024 119.682 119.800 -0.157 0.000 2.079 264 Q HA -0.278 4.063 4.340 0.002 0.000 0.200 264 Q C 2.255 178.147 176.000 -0.180 0.000 0.974 264 Q CA 2.058 57.786 55.803 -0.124 0.000 0.840 264 Q CB -0.077 28.611 28.738 -0.083 0.000 0.898 264 Q HN 0.676 nan 8.270 nan 0.000 0.430 265 E N 0.348 120.315 120.200 -0.387 0.000 2.077 265 E HA -0.195 4.157 4.350 0.002 0.000 0.193 265 E C 1.837 178.312 176.600 -0.209 0.000 0.989 265 E CA 1.030 57.184 56.400 -0.409 0.000 0.800 265 E CB -0.388 28.769 29.700 -0.906 0.000 0.746 265 E HN 0.389 nan 8.360 nan 0.000 0.452 266 L N 1.410 122.540 121.223 -0.156 0.000 2.012 266 L HA -0.156 4.186 4.340 0.002 0.000 0.210 266 L C 2.271 179.181 176.870 0.067 0.000 1.073 266 L CA 2.522 57.359 54.840 -0.004 0.000 0.748 266 L CB -0.917 41.200 42.059 0.098 0.000 0.891 266 L HN 0.363 nan 8.230 nan 0.000 0.431 267 E N -0.537 119.708 120.200 0.074 0.000 2.085 267 E HA -0.316 4.036 4.350 0.002 0.000 0.194 267 E C 2.432 179.046 176.600 0.024 0.000 0.994 267 E CA 1.381 57.821 56.400 0.066 0.000 0.801 267 E CB -0.220 29.501 29.700 0.036 0.000 0.743 267 E HN 0.534 nan 8.360 nan 0.000 0.453 268 R N 0.267 120.763 120.500 -0.007 0.000 2.066 268 R HA -0.116 4.226 4.340 0.002 0.000 0.232 268 R C 2.572 178.876 176.300 0.007 0.000 1.131 268 R CA 1.275 57.372 56.100 -0.004 0.000 0.955 268 R CB -0.240 30.051 30.300 -0.015 0.000 0.851 268 R HN 0.251 nan 8.270 nan 0.000 0.432 269 L N 0.553 121.779 121.223 0.005 0.000 2.083 269 L HA -0.162 4.179 4.340 0.002 0.000 0.209 269 L C 2.379 179.261 176.870 0.021 0.000 1.083 269 L CA 1.098 55.948 54.840 0.017 0.000 0.752 269 L CB -0.260 41.805 42.059 0.010 0.000 0.899 269 L HN 0.264 nan 8.230 nan 0.000 0.433 270 I N -1.174 119.418 120.570 0.037 0.000 2.226 270 I HA -0.300 3.871 4.170 0.002 0.000 0.245 270 I C 2.819 178.944 176.117 0.014 0.000 1.100 270 I CA 1.368 62.694 61.300 0.043 0.000 1.374 270 I CB -0.392 37.661 38.000 0.089 0.000 1.057 270 I HN 0.229 nan 8.210 nan 0.000 0.413 271 S N 0.564 116.270 115.700 0.010 0.000 2.370 271 S HA -0.201 4.271 4.470 0.002 0.000 0.226 271 S C 2.007 176.598 174.600 -0.015 0.000 1.033 271 S CA 1.416 59.613 58.200 -0.004 0.000 1.011 271 S CB -0.185 63.014 63.200 -0.002 0.000 0.852 271 S HN 0.347 nan 8.310 nan 0.000 0.457 272 E N 1.107 121.300 120.200 -0.012 0.000 2.077 272 E HA -0.140 4.211 4.350 0.002 0.000 0.193 272 E C 2.326 178.875 176.600 -0.086 0.000 0.989 272 E CA 1.133 57.511 56.400 -0.036 0.000 0.800 272 E CB -0.569 29.129 29.700 -0.004 0.000 0.746 272 E HN 0.709 nan 8.360 nan 0.000 0.452 273 Q N 0.521 120.286 119.800 -0.060 0.000 2.135 273 Q HA -0.177 4.164 4.340 0.002 0.000 0.204 273 Q C 2.083 178.038 176.000 -0.074 0.000 0.981 273 Q CA 1.307 57.066 55.803 -0.074 0.000 0.856 273 Q CB -0.123 28.598 28.738 -0.028 0.000 0.902 273 Q HN 0.384 nan 8.270 nan 0.000 0.425 274 E N 0.710 120.881 120.200 -0.049 0.000 2.110 274 E HA -0.188 4.164 4.350 0.002 0.000 0.193 274 E C 1.888 178.454 176.600 -0.057 0.000 0.988 274 E CA 0.990 57.363 56.400 -0.045 0.000 0.804 274 E CB 0.038 29.720 29.700 -0.030 0.000 0.745 274 E HN 0.258 nan 8.360 nan 0.000 0.458 275 K N 0.398 120.760 120.400 -0.062 0.000 2.057 275 K HA -0.107 4.214 4.320 0.002 0.000 0.207 275 K C 2.192 178.740 176.600 -0.088 0.000 1.049 275 K CA 1.147 57.397 56.287 -0.062 0.000 0.931 275 K CB -0.097 32.373 32.500 -0.051 0.000 0.714 275 K HN -0.021 nan 8.250 nan 0.000 0.440 276 V N 1.522 121.348 119.914 -0.147 0.000 2.407 276 V HA -0.246 3.875 4.120 0.002 0.000 0.248 276 V C 2.351 178.372 176.094 -0.122 0.000 1.055 276 V CA 1.922 64.116 62.300 -0.176 0.000 1.049 276 V CB -0.698 30.930 31.823 -0.324 0.000 0.662 276 V HN 0.356 nan 8.190 nan 0.000 0.455 277 A N 0.663 123.418 122.820 -0.110 0.000 1.948 277 A HA -0.163 4.158 4.320 0.002 0.000 0.220 277 A C 2.371 179.909 177.584 -0.077 0.000 1.177 277 A CA 2.086 54.065 52.037 -0.097 0.000 0.636 277 A CB -1.113 17.840 19.000 -0.079 0.000 0.815 277 A HN 0.553 nan 8.150 nan 0.000 0.449 278 G N -1.336 107.427 108.800 -0.062 0.000 2.484 278 G HA2 -0.069 3.892 3.960 0.002 0.000 0.218 278 G HA3 -0.069 3.892 3.960 0.002 0.000 0.218 278 G C 1.495 176.369 174.900 -0.042 0.000 1.130 278 G CA 0.751 45.822 45.100 -0.047 0.000 0.784 278 G HN 0.666 nan 8.290 nan 0.000 0.543 279 Q N -0.400 119.372 119.800 -0.046 0.000 2.230 279 Q HA 0.135 4.476 4.340 0.002 0.000 0.202 279 Q C 2.317 178.292 176.000 -0.041 0.000 0.963 279 Q CA 0.503 56.286 55.803 -0.033 0.000 0.866 279 Q CB -0.009 28.717 28.738 -0.020 0.000 0.931 279 Q HN 0.518 nan 8.270 nan 0.000 0.452 280 I N 0.021 120.552 120.570 -0.065 0.000 2.333 280 I HA -0.112 4.059 4.170 0.002 0.000 0.246 280 I C 0.849 176.927 176.117 -0.064 0.000 1.106 280 I CA 0.882 62.135 61.300 -0.079 0.000 1.411 280 I CB 0.357 38.281 38.000 -0.128 0.000 1.082 280 I HN -0.071 nan 8.210 nan 0.000 0.420 281 K N 0.900 121.264 120.400 -0.059 0.000 2.589 281 K HA 0.324 4.645 4.320 0.002 0.000 0.253 281 K C -2.759 173.818 176.600 -0.040 0.000 0.974 281 K CA -1.731 54.528 56.287 -0.047 0.000 0.835 281 K CB 1.923 34.393 32.500 -0.050 0.000 1.272 281 K HN -0.322 nan 8.250 nan 0.000 0.444 282 P HA -0.004 nan 4.420 nan 0.000 0.260 282 P C 0.486 177.770 177.300 -0.027 0.000 1.172 282 P CA 1.464 64.549 63.100 -0.026 0.000 0.760 282 P CB 0.628 32.315 31.700 -0.020 0.000 0.773 283 G N 2.367 111.151 108.800 -0.027 0.000 2.189 283 G HA2 -0.259 3.702 3.960 0.002 0.000 0.267 283 G HA3 -0.259 3.702 3.960 0.002 0.000 0.267 283 G C 0.511 175.393 174.900 -0.029 0.000 0.975 283 G CA 0.079 45.163 45.100 -0.026 0.000 0.644 283 G HN 0.864 nan 8.290 nan 0.000 0.537 284 A N 0.401 123.200 122.820 -0.036 0.000 2.498 284 A HA 0.626 4.947 4.320 0.002 0.000 0.239 284 A C 1.160 178.720 177.584 -0.040 0.000 1.068 284 A CA 1.013 53.026 52.037 -0.040 0.000 0.766 284 A CB 0.234 19.203 19.000 -0.052 0.000 1.003 284 A HN 2.033 nan 8.150 nan 0.000 0.497 285 S N 1.931 117.610 115.700 -0.035 0.000 2.600 285 S HA 0.299 4.771 4.470 0.002 0.000 0.265 285 S C 1.171 175.747 174.600 -0.040 0.000 1.325 285 S CA -0.075 58.106 58.200 -0.031 0.000 1.002 285 S CB 0.191 63.378 63.200 -0.022 0.000 0.921 285 S HN 0.512 nan 8.310 nan 0.000 0.554 286 I N 0.708 121.258 120.570 -0.034 0.000 2.151 286 I HA -0.220 3.951 4.170 0.002 0.000 0.243 286 I C 2.861 178.954 176.117 -0.041 0.000 1.080 286 I CA 2.072 63.348 61.300 -0.040 0.000 1.339 286 I CB -0.473 37.516 38.000 -0.019 0.000 1.039 286 I HN 0.873 nan 8.210 nan 0.000 0.409 287 E N 0.950 121.137 120.200 -0.022 0.000 2.077 287 E HA -0.244 4.107 4.350 0.002 0.000 0.193 287 E C 2.048 178.631 176.600 -0.029 0.000 0.989 287 E CA 1.259 57.650 56.400 -0.014 0.000 0.800 287 E CB 0.084 29.783 29.700 -0.002 0.000 0.746 287 E HN 0.492 nan 8.360 nan 0.000 0.452 288 E N 0.055 120.233 120.200 -0.035 0.000 2.051 288 E HA -0.189 4.162 4.350 0.002 0.000 0.192 288 E C 2.018 178.576 176.600 -0.069 0.000 0.991 288 E CA 0.990 57.364 56.400 -0.043 0.000 0.799 288 E CB -0.136 29.541 29.700 -0.038 0.000 0.748 288 E HN 0.323 nan 8.360 nan 0.000 0.449 289 A N 1.407 124.173 122.820 -0.090 0.000 1.940 289 A HA -0.238 4.083 4.320 0.002 0.000 0.219 289 A C 1.920 179.381 177.584 -0.205 0.000 1.176 289 A CA 1.529 53.482 52.037 -0.140 0.000 0.631 289 A CB -0.293 18.618 19.000 -0.149 0.000 0.814 289 A HN 0.054 nan 8.150 nan 0.000 0.446 290 K N 0.005 120.302 120.400 -0.173 0.000 2.097 290 K HA -0.061 4.260 4.320 0.002 0.000 0.205 290 K C 2.290 178.832 176.600 -0.096 0.000 1.050 290 K CA 1.386 57.560 56.287 -0.188 0.000 0.938 290 K CB -0.129 32.351 32.500 -0.033 0.000 0.718 290 K HN 0.488 nan 8.250 nan 0.000 0.442 291 S N 1.431 117.098 115.700 -0.054 0.000 2.368 291 S HA -0.114 4.357 4.470 0.002 0.000 0.225 291 S C 1.979 176.552 174.600 -0.046 0.000 1.030 291 S CA 1.062 59.248 58.200 -0.024 0.000 0.999 291 S CB -0.271 62.919 63.200 -0.017 0.000 0.844 291 S HN 0.190 nan 8.310 nan 0.000 0.459 292 I N 1.577 122.095 120.570 -0.085 0.000 2.163 292 I HA -0.208 3.964 4.170 0.002 0.000 0.243 292 I C 2.186 178.228 176.117 -0.124 0.000 1.085 292 I CA 1.215 62.459 61.300 -0.093 0.000 1.347 292 I CB -0.439 37.498 38.000 -0.105 0.000 1.044 292 I HN 0.227 nan 8.210 nan 0.000 0.408 293 L N 0.306 121.381 121.223 -0.248 0.000 2.017 293 L HA -0.219 4.122 4.340 0.002 0.000 0.208 293 L C 2.059 178.880 176.870 -0.081 0.000 1.073 293 L CA 1.302 55.906 54.840 -0.393 0.000 0.745 293 L CB -0.700 40.666 42.059 -1.155 0.000 0.894 293 L HN 0.329 nan 8.230 nan 0.000 0.432 294 N N -0.162 118.577 118.700 0.065 0.000 2.494 294 N HA -0.086 4.655 4.740 0.002 0.000 0.182 294 N C 0.985 176.561 175.510 0.110 0.000 1.076 294 N CA 0.691 53.886 53.050 0.241 0.000 0.908 294 N CB -0.084 38.547 38.487 0.240 0.000 0.967 294 N HN 0.380 nan 8.380 nan 0.000 0.449 295 N N 0.270 118.997 118.700 0.044 0.000 2.177 295 N HA -0.028 4.713 4.740 0.002 0.000 0.218 295 N C -0.657 174.859 175.510 0.009 0.000 1.182 295 N CA -0.062 53.000 53.050 0.021 0.000 0.882 295 N CB 0.830 39.320 38.487 0.006 0.000 1.052 295 N HN 0.107 nan 8.380 nan 0.000 0.519 296 D N 1.637 122.044 120.400 0.011 0.000 2.339 296 D HA 0.196 4.837 4.640 0.002 0.000 0.241 296 D C -1.599 174.710 176.300 0.014 0.000 1.183 296 D CA -2.024 51.978 54.000 0.003 0.000 0.859 296 D CB 1.798 42.591 40.800 -0.012 0.000 1.067 296 D HN -0.062 nan 8.370 nan 0.000 0.484 297 P HA -0.164 nan 4.420 nan 0.000 0.217 297 P C 0.899 178.200 177.300 0.003 0.000 1.148 297 P CA 1.429 64.530 63.100 0.001 0.000 0.834 297 P CB 0.185 31.884 31.700 -0.003 0.000 0.783 298 A N -0.517 122.308 122.820 0.008 0.000 2.067 298 A HA -0.112 4.209 4.320 0.002 0.000 0.219 298 A C 1.868 179.463 177.584 0.017 0.000 1.158 298 A CA 1.025 53.070 52.037 0.013 0.000 0.661 298 A CB -0.733 18.278 19.000 0.018 0.000 0.801 298 A HN 0.157 nan 8.150 nan 0.000 0.452 299 R N -0.416 120.104 120.500 0.033 0.000 2.515 299 R HA 0.214 4.555 4.340 0.002 0.000 0.294 299 R C -0.498 175.814 176.300 0.019 0.000 1.021 299 R CA 0.028 56.164 56.100 0.060 0.000 1.081 299 R CB 0.243 30.640 30.300 0.162 0.000 1.263 299 R HN 0.548 nan 8.270 nan 0.000 0.557 300 Q N 0.665 120.452 119.800 -0.021 0.000 2.375 300 Q HA 0.499 4.840 4.340 0.002 0.000 0.271 300 Q C -0.950 175.008 176.000 -0.071 0.000 1.074 300 Q CA -0.609 55.167 55.803 -0.046 0.000 0.808 300 Q CB 2.986 31.709 28.738 -0.026 0.000 1.327 300 Q HN 0.099 nan 8.270 nan 0.000 0.441 301 I N 1.739 122.264 120.570 -0.075 0.000 2.569 301 I HA 0.368 4.539 4.170 0.002 0.000 0.296 301 I C -0.641 175.499 176.117 0.039 0.000 1.028 301 I CA -0.993 60.277 61.300 -0.049 0.000 1.082 301 I CB 1.935 39.857 38.000 -0.130 0.000 1.264 301 I HN 0.274 nan 8.210 nan 0.000 0.429 302 K N 4.353 124.768 120.400 0.025 0.000 2.240 302 K HA 0.725 5.046 4.320 0.002 0.000 0.271 302 K C -0.308 176.341 176.600 0.082 0.000 1.018 302 K CA 0.103 56.408 56.287 0.029 0.000 0.874 302 K CB 1.017 33.512 32.500 -0.008 0.000 1.098 302 K HN 0.815 nan 8.250 nan 0.000 0.458 303 G N 2.147 111.051 108.800 0.172 0.000 2.705 303 G HA2 -0.248 3.714 3.960 0.002 0.000 0.686 303 G HA3 -0.248 3.714 3.960 0.002 0.000 0.686 303 G C 0.526 175.501 174.900 0.123 0.000 1.285 303 G CA -0.215 44.985 45.100 0.168 0.000 0.800 303 G HN 0.792 nan 8.290 nan 0.000 0.611 304 T N -1.861 112.722 114.554 0.049 0.000 2.951 304 T HA -0.003 4.348 4.350 0.002 0.000 0.268 304 T C 1.574 176.180 174.700 -0.157 0.000 1.073 304 T CA 2.059 64.060 62.100 -0.165 0.000 1.134 304 T CB -0.067 68.738 68.868 -0.105 0.000 0.884 304 T HN 0.458 nan 8.240 nan 0.000 0.479 305 D N 2.179 122.535 120.400 -0.072 0.000 2.097 305 D HA 0.071 4.712 4.640 0.002 0.000 0.195 305 D C 2.475 178.735 176.300 -0.066 0.000 0.989 305 D CA 1.559 55.522 54.000 -0.061 0.000 0.827 305 D CB -0.704 40.078 40.800 -0.029 0.000 0.966 305 D HN 0.528 nan 8.370 nan 0.000 0.456 306 A N 0.322 123.110 122.820 -0.053 0.000 1.933 306 A HA -0.133 4.188 4.320 0.002 0.000 0.218 306 A C 2.122 179.666 177.584 -0.065 0.000 1.175 306 A CA 1.054 53.069 52.037 -0.037 0.000 0.628 306 A CB -0.721 18.267 19.000 -0.020 0.000 0.814 306 A HN 0.262 nan 8.150 nan 0.000 0.444 307 L N -0.146 120.959 121.223 -0.198 0.000 1.994 307 L HA -0.140 4.201 4.340 0.002 0.000 0.208 307 L C 2.245 179.000 176.870 -0.192 0.000 1.071 307 L CA 2.349 56.971 54.840 -0.363 0.000 0.745 307 L CB -0.547 40.947 42.059 -0.942 0.000 0.892 307 L HN 0.335 nan 8.230 nan 0.000 0.431 308 K N -0.566 119.708 120.400 -0.210 0.000 2.074 308 K HA -0.184 4.137 4.320 0.002 0.000 0.209 308 K C 2.068 178.623 176.600 -0.074 0.000 1.048 308 K CA 1.506 57.709 56.287 -0.139 0.000 0.926 308 K CB -0.449 31.970 32.500 -0.135 0.000 0.713 308 K HN 0.521 nan 8.250 nan 0.000 0.444 309 A N 1.033 123.831 122.820 -0.037 0.000 1.933 309 A HA -0.154 4.167 4.320 0.002 0.000 0.218 309 A C 1.071 178.674 177.584 0.031 0.000 1.175 309 A CA 0.715 52.747 52.037 -0.009 0.000 0.628 309 A CB -0.625 18.380 19.000 0.007 0.000 0.814 309 A HN 0.495 nan 8.150 nan 0.000 0.444 313 E N 0.841 120.946 120.200 -0.158 0.000 2.072 313 E HA -0.076 4.275 4.350 0.002 0.000 0.191 313 E C 1.703 178.220 176.600 -0.140 0.000 0.985 313 E CA 1.163 57.495 56.400 -0.114 0.000 0.801 313 E CB -0.075 29.579 29.700 -0.076 0.000 0.750 313 E HN 0.507 nan 8.360 nan 0.000 0.452 314 L N 0.605 121.660 121.223 -0.280 0.000 2.017 314 L HA -0.190 4.151 4.340 0.002 0.000 0.208 314 L C 2.687 179.502 176.870 -0.092 0.000 1.073 314 L CA 1.420 56.123 54.840 -0.228 0.000 0.745 314 L CB -0.308 41.443 42.059 -0.513 0.000 0.894 314 L HN 0.080 nan 8.230 nan 0.000 0.432 315 S N -0.489 115.120 115.700 -0.151 0.000 2.356 315 S HA -0.180 4.291 4.470 0.002 0.000 0.223 315 S C 1.503 176.066 174.600 -0.063 0.000 1.032 315 S CA 1.371 59.515 58.200 -0.093 0.000 1.005 315 S CB -0.278 62.843 63.200 -0.133 0.000 0.867 315 S HN 0.440 nan 8.310 nan 0.000 0.449 316 D N 0.761 121.122 120.400 -0.065 0.000 2.178 316 D HA -0.047 4.594 4.640 0.002 0.000 0.202 316 D C 2.013 178.308 176.300 -0.008 0.000 0.974 316 D CA 0.728 54.706 54.000 -0.037 0.000 0.841 316 D CB -0.206 40.571 40.800 -0.038 0.000 0.953 316 D HN 0.290 nan 8.370 nan 0.000 0.478 317 R N 0.588 121.092 120.500 0.005 0.000 2.073 317 R HA -0.015 4.326 4.340 0.002 0.000 0.229 317 R C 2.101 178.435 176.300 0.056 0.000 1.120 317 R CA 1.233 57.365 56.100 0.053 0.000 0.967 317 R CB -0.077 30.276 30.300 0.089 0.000 0.862 317 R HN 0.074 nan 8.270 nan 0.000 0.436 318 A N 0.326 123.138 122.820 -0.014 0.000 1.883 318 A HA -0.127 4.194 4.320 0.002 0.000 0.217 318 A C 2.245 179.791 177.584 -0.064 0.000 1.186 318 A CA 1.716 53.660 52.037 -0.154 0.000 0.624 318 A CB -0.709 18.150 19.000 -0.236 0.000 0.822 318 A HN 0.220 nan 8.150 nan 0.000 0.444 319 V N 0.925 120.821 119.914 -0.030 0.000 2.287 319 V HA -0.265 3.856 4.120 0.002 0.000 0.248 319 V C 3.040 179.154 176.094 0.034 0.000 1.053 319 V CA 2.564 64.865 62.300 0.001 0.000 1.027 319 V CB -0.938 30.887 31.823 0.004 0.000 0.646 319 V HN 0.835 nan 8.190 nan 0.000 0.447 320 S N -0.499 115.223 115.700 0.036 0.000 2.406 320 S HA -0.156 4.315 4.470 0.002 0.000 0.228 320 S C 1.755 176.399 174.600 0.073 0.000 1.020 320 S CA 1.362 59.590 58.200 0.047 0.000 0.965 320 S CB -0.357 62.865 63.200 0.037 0.000 0.798 320 S HN 0.720 nan 8.310 nan 0.000 0.488 321 E N 0.902 121.164 120.200 0.104 0.000 2.158 321 E HA 0.141 4.493 4.350 0.002 0.000 0.191 321 E C 1.895 178.611 176.600 0.193 0.000 0.982 321 E CA 0.808 57.302 56.400 0.157 0.000 0.823 321 E CB -0.161 29.685 29.700 0.242 0.000 0.766 321 E HN 0.505 nan 8.360 nan 0.000 0.468 322 L N 0.669 122.008 121.223 0.194 0.000 2.249 322 L HA 0.141 4.483 4.340 0.002 0.000 0.207 322 L C 1.120 178.137 176.870 0.245 0.000 1.090 322 L CA -0.348 54.671 54.840 0.300 0.000 0.802 322 L CB -0.074 42.177 42.059 0.321 0.000 0.947 322 L HN -0.046 nan 8.230 nan 0.000 0.453 323 A N 0.682 123.594 122.820 0.154 0.000 2.566 323 A HA -0.087 4.234 4.320 0.002 0.000 0.245 323 A C 0.767 178.392 177.584 0.069 0.000 1.056 323 A CA 0.580 52.681 52.037 0.107 0.000 0.757 323 A CB -0.297 18.738 19.000 0.058 0.000 0.979 323 A HN 0.549 nan 8.150 nan 0.000 0.508 324 D N 0.599 121.034 120.400 0.058 0.000 2.983 324 D HA -0.167 4.474 4.640 0.002 0.000 0.225 324 D C 0.467 176.748 176.300 -0.032 0.000 1.174 324 D CA 1.668 55.675 54.000 0.012 0.000 0.831 324 D CB -1.050 39.751 40.800 0.001 0.000 1.104 324 D HN 0.294 nan 8.370 nan 0.000 0.421 325 V N -1.124 118.759 119.914 -0.052 0.000 3.001 325 V HA 0.120 4.241 4.120 0.002 0.000 0.228 325 V C 1.758 177.621 176.094 -0.385 0.000 1.204 325 V CA 0.818 62.977 62.300 -0.236 0.000 1.247 325 V CB -0.047 31.617 31.823 -0.267 0.000 1.093 325 V HN 0.270 nan 8.190 nan 0.000 0.504 326 H N -1.759 117.337 119.070 0.043 0.000 2.729 326 H HA 0.383 4.940 4.556 0.001 0.000 0.263 326 H C -0.382 174.768 175.328 -0.297 0.000 0.961 326 H CA 0.362 56.360 56.048 -0.083 0.000 1.217 326 H CB 1.014 30.763 29.762 -0.021 0.000 1.447 326 H HN 0.328 nan 8.280 nan 0.000 0.496 327 F N 0.791 120.878 119.950 0.229 0.000 2.613 327 F HA 0.248 4.778 4.527 0.003 0.000 0.310 327 F C -0.447 175.383 175.800 0.049 0.000 1.085 327 F CA -1.196 56.894 58.000 0.150 0.000 0.945 327 F CB 1.766 40.823 39.000 0.096 0.000 1.298 327 F HN -0.250 nan 8.300 nan 0.000 0.455 328 D N 3.157 123.678 120.400 0.202 0.000 2.339 328 D HA 0.384 5.025 4.640 0.002 0.000 0.241 328 D C -0.318 175.993 176.300 0.018 0.000 1.183 328 D CA 0.365 54.407 54.000 0.071 0.000 0.859 328 D CB 0.935 41.748 40.800 0.022 0.000 1.067 328 D HN 0.311 nan 8.370 nan 0.000 0.484 329 I N 4.203 124.762 120.570 -0.018 0.000 2.464 329 I HA 0.204 4.375 4.170 0.002 0.000 0.277 329 I C -2.204 173.822 176.117 -0.152 0.000 1.040 329 I CA -1.948 59.299 61.300 -0.089 0.000 1.153 329 I CB 1.426 39.411 38.000 -0.026 0.000 1.274 329 I HN -0.078 nan 8.210 nan 0.000 0.469 330 P HA 0.024 nan 4.420 nan 0.000 0.268 330 P C 0.426 177.601 177.300 -0.209 0.000 1.208 330 P CA -0.046 62.862 63.100 -0.320 0.000 0.777 330 P CB 0.800 32.069 31.700 -0.719 0.000 0.875 331 D N -0.053 120.272 120.400 -0.125 0.000 2.149 331 D HA -0.116 4.525 4.640 0.002 0.000 0.194 331 D C 1.050 177.317 176.300 -0.054 0.000 1.001 331 D CA 1.239 55.200 54.000 -0.065 0.000 0.849 331 D CB -0.531 40.249 40.800 -0.033 0.000 0.939 331 D HN 0.261 nan 8.370 nan 0.000 0.449 335 T N 2.730 117.336 114.554 0.087 0.000 2.779 335 T HA 0.358 4.710 4.350 0.002 0.000 0.296 335 T C -0.675 173.998 174.700 -0.044 0.000 0.938 335 T CA 0.040 62.158 62.100 0.030 0.000 1.119 335 T CB 0.923 69.821 68.868 0.050 0.000 0.891 335 T HN 0.044 nan 8.240 nan 0.000 0.526 336 L N 3.784 124.915 121.223 -0.153 0.000 2.427 336 L HA 0.393 4.734 4.340 0.002 0.000 0.264 336 L C -0.392 176.354 176.870 -0.207 0.000 0.989 336 L CA -0.387 54.278 54.840 -0.291 0.000 0.865 336 L CB 1.192 42.989 42.059 -0.436 0.000 1.209 336 L HN 0.551 nan 8.230 nan 0.000 0.430 337 E N 4.251 124.327 120.200 -0.208 0.000 2.257 337 E HA 0.259 4.611 4.350 0.002 0.000 0.278 337 E C -0.470 175.939 176.600 -0.319 0.000 1.049 337 E CA -0.343 55.919 56.400 -0.231 0.000 0.876 337 E CB 0.761 30.323 29.700 -0.229 0.000 1.035 337 E HN 0.630 nan 8.360 nan 0.000 0.419 341 A N 7.803 130.861 122.820 0.397 0.000 2.511 341 A HA 0.549 4.870 4.320 0.002 0.000 0.242 341 A C -1.240 176.489 177.584 0.242 0.000 1.069 341 A CA -0.518 51.743 52.037 0.372 0.000 0.763 341 A CB -0.264 18.958 19.000 0.370 0.000 1.001 341 A HN 0.629 nan 8.150 nan 0.000 0.498 342 P HA -0.027 nan 4.420 nan 0.000 0.221 342 P C 0.635 177.983 177.300 0.080 0.000 1.150 342 P CA 1.734 64.891 63.100 0.096 0.000 0.800 342 P CB -0.159 31.559 31.700 0.029 0.000 0.787 343 T N -3.587 111.013 114.554 0.076 0.000 2.916 343 T HA 0.357 4.708 4.350 0.002 0.000 0.292 343 T C -0.768 173.987 174.700 0.091 0.000 1.064 343 T CA -0.814 61.322 62.100 0.059 0.000 1.011 343 T CB 1.611 70.482 68.868 0.004 0.000 1.152 343 T HN -0.292 nan 8.240 nan 0.000 0.510 344 D N 1.045 121.485 120.400 0.066 0.000 2.470 344 D HA 0.159 4.800 4.640 0.002 0.000 0.226 344 D C 0.744 177.058 176.300 0.024 0.000 1.196 344 D CA -0.372 53.669 54.000 0.069 0.000 0.979 344 D CB 0.274 41.108 40.800 0.056 0.000 1.059 344 D HN 0.415 nan 8.370 nan 0.000 0.515 345 E N 2.039 122.266 120.200 0.045 0.000 2.512 345 E HA 0.111 4.463 4.350 0.002 0.000 0.195 345 E C 1.404 177.994 176.600 -0.016 0.000 1.083 345 E CA 0.363 56.746 56.400 -0.029 0.000 0.873 345 E CB -0.213 29.410 29.700 -0.129 0.000 0.897 345 E HN 0.713 nan 8.360 nan 0.000 0.514 346 G N 0.286 109.081 108.800 -0.008 0.000 2.198 346 G HA2 -0.159 3.802 3.960 0.002 0.000 0.257 346 G HA3 -0.159 3.802 3.960 0.002 0.000 0.257 346 G C 0.513 175.366 174.900 -0.077 0.000 1.042 346 G CA 0.521 45.592 45.100 -0.049 0.000 0.791 346 G HN 0.739 nan 8.290 nan 0.000 0.502 347 G N -1.543 107.202 108.800 -0.091 0.000 2.343 347 G HA2 0.464 4.425 3.960 0.002 0.000 0.289 347 G HA3 0.464 4.425 3.960 0.002 0.000 0.289 347 G C -0.676 174.141 174.900 -0.139 0.000 1.295 347 G CA -0.442 44.545 45.100 -0.189 0.000 0.869 347 G HN 0.844 nan 8.290 nan 0.000 0.522 348 I N 1.292 121.752 120.570 -0.183 0.000 2.474 348 I HA 0.488 4.659 4.170 0.002 0.000 0.287 348 I C 0.129 176.369 176.117 0.205 0.000 1.048 348 I CA -0.517 60.758 61.300 -0.042 0.000 1.383 348 I CB 0.804 38.757 38.000 -0.078 0.000 1.412 348 I HN 0.633 nan 8.210 nan 0.000 0.531 349 Y N 5.198 125.622 120.300 0.208 0.000 2.605 349 Y HA 0.642 5.193 4.550 0.002 0.000 0.343 349 Y C -1.468 174.700 175.900 0.448 0.000 1.036 349 Y CA -1.492 56.783 58.100 0.291 0.000 1.065 349 Y CB 1.012 39.585 38.460 0.188 0.000 1.288 349 Y HN 0.453 nan 8.280 nan 0.000 0.481 350 Y N 1.672 122.259 120.300 0.478 0.000 2.429 350 Y HA 0.672 5.223 4.550 0.002 0.000 0.342 350 Y C -0.842 175.309 175.900 0.418 0.000 1.004 350 Y CA -0.787 57.544 58.100 0.385 0.000 1.075 350 Y CB 2.108 40.798 38.460 0.383 0.000 1.214 350 Y HN 0.868 nan 8.280 nan 0.000 0.455 351 T N 2.497 116.796 114.554 -0.425 0.000 2.840 351 T HA 0.693 5.044 4.350 0.002 0.000 0.287 351 T C 0.209 174.429 174.700 -0.800 0.000 0.991 351 T CA -0.493 61.395 62.100 -0.354 0.000 0.964 351 T CB 0.991 69.935 68.868 0.126 0.000 0.954 351 T HN 0.991 nan 8.240 nan 0.000 0.438 352 G N 3.553 112.033 108.800 -0.532 0.000 2.651 352 G HA2 0.589 4.550 3.960 0.002 0.000 0.260 352 G HA3 0.589 4.550 3.960 0.002 0.000 0.260 352 G C -2.347 172.474 174.900 -0.130 0.000 1.216 352 G CA -1.487 43.481 45.100 -0.219 0.000 0.913 352 G HN 0.703 nan 8.290 nan 0.000 0.535 353 P HA 0.132 nan 4.420 nan 0.000 0.272 353 P C 0.479 177.588 177.300 -0.318 0.000 1.230 353 P CA -0.265 62.678 63.100 -0.261 0.000 0.788 353 P CB 0.853 32.176 31.700 -0.628 0.000 0.949 354 S N 0.396 115.935 115.700 -0.267 0.000 2.576 354 S HA -0.004 4.467 4.470 0.002 0.000 0.272 354 S C 0.903 175.321 174.600 -0.302 0.000 1.352 354 S CA -0.122 57.954 58.200 -0.208 0.000 1.021 354 S CB -0.127 63.008 63.200 -0.107 0.000 0.887 354 S HN 0.361 nan 8.310 nan 0.000 0.542 355 D N 1.324 121.627 120.400 -0.162 0.000 2.190 355 D HA -0.120 4.521 4.640 0.002 0.000 0.200 355 D C 1.245 177.546 176.300 0.001 0.000 0.992 355 D CA 1.841 55.785 54.000 -0.092 0.000 0.854 355 D CB -0.394 40.381 40.800 -0.042 0.000 0.936 355 D HN 0.905 nan 8.370 nan 0.000 0.462 356 D N -1.411 118.998 120.400 0.016 0.000 2.349 356 D HA -0.058 4.584 4.640 0.002 0.000 0.214 356 D C 0.510 176.971 176.300 0.269 0.000 1.063 356 D CA -0.365 53.713 54.000 0.129 0.000 0.847 356 D CB -0.581 40.260 40.800 0.069 0.000 0.933 356 D HN 0.121 nan 8.370 nan 0.000 0.513 357 F N 0.081 120.065 119.950 0.056 0.000 2.914 357 F HA -0.329 4.199 4.527 0.002 0.000 0.304 357 F C 1.870 177.706 175.800 0.060 0.000 0.712 357 F CA 0.784 58.831 58.000 0.078 0.000 1.211 357 F CB -2.140 36.929 39.000 0.114 0.000 1.515 357 F HN 0.180 nan 8.300 nan 0.000 0.350 358 S N -0.234 115.544 115.700 0.130 0.000 2.406 358 S HA -0.103 4.368 4.470 0.002 0.000 0.228 358 S C 1.052 175.687 174.600 0.057 0.000 1.020 358 S CA 0.763 59.016 58.200 0.089 0.000 0.965 358 S CB 0.008 63.243 63.200 0.058 0.000 0.798 358 S HN 0.484 nan 8.310 nan 0.000 0.488 359 R N 3.146 123.659 120.500 0.021 0.000 2.229 359 R HA 0.407 4.748 4.340 0.002 0.000 0.328 359 R C -2.790 173.513 176.300 0.004 0.000 1.009 359 R CA -2.330 53.776 56.100 0.010 0.000 0.864 359 R CB 1.023 31.320 30.300 -0.006 0.000 1.085 359 R HN 0.223 nan 8.270 nan 0.000 0.453 360 P HA 0.097 nan 4.420 nan 0.000 0.274 360 P C -0.176 177.154 177.300 0.050 0.000 1.256 360 P CA -0.237 62.918 63.100 0.092 0.000 0.795 360 P CB 0.543 32.285 31.700 0.071 0.000 1.038 361 G N 1.287 110.188 108.800 0.170 0.000 2.484 361 G HA2 0.192 4.153 3.960 0.002 0.000 0.235 361 G HA3 0.192 4.153 3.960 0.002 0.000 0.235 361 G C 0.024 174.877 174.900 -0.077 0.000 1.282 361 G CA -0.350 44.831 45.100 0.135 0.000 0.857 361 G HN 0.455 nan 8.290 nan 0.000 0.571 365 W N 4.179 125.458 121.300 -0.035 0.000 2.335 365 W HA 0.654 5.315 4.660 0.002 0.000 0.307 365 W C -0.698 175.856 176.519 0.059 0.000 1.117 365 W CA -0.547 56.794 57.345 -0.006 0.000 1.228 365 W CB 1.754 31.172 29.460 -0.071 0.000 1.240 365 W HN 0.215 nan 8.180 nan 0.000 0.468 366 S N 4.575 120.364 115.700 0.149 0.000 2.465 366 S HA 0.305 4.776 4.470 0.002 0.000 0.279 366 S C -0.256 174.533 174.600 0.316 0.000 1.201 366 S CA -0.599 57.740 58.200 0.233 0.000 1.053 366 S CB 1.428 64.710 63.200 0.138 0.000 0.953 366 S HN 0.259 nan 8.310 nan 0.000 0.488 367 V N 6.313 126.475 119.914 0.413 0.000 2.364 367 V HA 0.300 4.421 4.120 0.002 0.000 0.272 367 V C -2.102 174.152 176.094 0.267 0.000 1.036 367 V CA -1.979 60.601 62.300 0.466 0.000 0.880 367 V CB 0.656 32.747 31.823 0.447 0.000 0.991 367 V HN 0.632 nan 8.190 nan 0.000 0.460 368 P HA 0.238 nan 4.420 nan 0.000 0.271 368 P C -0.187 177.171 177.300 0.097 0.000 1.218 368 P CA -0.219 62.951 63.100 0.116 0.000 0.780 368 P CB 0.545 32.291 31.700 0.076 0.000 0.901 369 A N 2.336 125.195 122.820 0.065 0.000 2.566 369 A HA 0.371 4.692 4.320 0.002 0.000 0.245 369 A C 1.562 179.167 177.584 0.036 0.000 1.056 369 A CA 0.875 52.942 52.037 0.051 0.000 0.757 369 A CB -1.579 17.442 19.000 0.034 0.000 0.979 369 A HN 0.929 nan 8.150 nan 0.000 0.508 370 G N 1.514 110.334 108.800 0.033 0.000 2.176 370 G HA2 -0.187 3.774 3.960 0.002 0.000 0.253 370 G HA3 -0.187 3.774 3.960 0.002 0.000 0.253 370 G C 0.007 174.895 174.900 -0.019 0.000 0.979 370 G CA 0.355 45.460 45.100 0.008 0.000 0.641 370 G HN 0.846 nan 8.290 nan 0.000 0.530 371 E N 0.297 120.489 120.200 -0.014 0.000 2.227 371 E HA 0.475 4.826 4.350 0.002 0.000 0.282 371 E C -0.028 176.458 176.600 -0.189 0.000 1.015 371 E CA -0.185 56.148 56.400 -0.111 0.000 0.823 371 E CB 1.643 31.306 29.700 -0.063 0.000 1.081 371 E HN 0.255 nan 8.360 nan 0.000 0.396 372 D N 1.099 121.275 120.400 -0.375 0.000 2.530 372 D HA 0.075 4.716 4.640 0.002 0.000 0.253 372 D C -0.920 175.001 176.300 -0.632 0.000 1.338 372 D CA 0.152 53.927 54.000 -0.375 0.000 0.806 372 D CB 0.764 41.499 40.800 -0.108 0.000 1.160 372 D HN 0.167 nan 8.370 nan 0.000 0.514 373 T N -0.066 113.944 114.554 -0.906 0.000 2.876 373 T HA 0.588 4.939 4.350 0.002 0.000 0.289 373 T C -1.136 172.969 174.700 -0.992 0.000 1.014 373 T CA -0.400 61.284 62.100 -0.693 0.000 0.986 373 T CB 1.239 69.920 68.868 -0.311 0.000 1.021 373 T HN -0.131 nan 8.240 nan 0.000 0.458 374 F N 1.039 120.917 119.950 -0.120 0.000 2.562 374 F HA 0.404 4.932 4.527 0.002 0.000 0.319 374 F C 0.422 176.116 175.800 -0.177 0.000 1.154 374 F CA -0.905 57.011 58.000 -0.140 0.000 0.931 374 F CB 1.794 40.597 39.000 -0.328 0.000 1.198 374 F HN 0.340 nan 8.300 nan 0.000 0.444 375 T N 0.451 115.028 114.554 0.038 0.000 2.771 375 T HA 0.321 4.672 4.350 0.002 0.000 0.291 375 T C 0.981 175.589 174.700 -0.152 0.000 0.954 375 T CA -0.368 61.703 62.100 -0.049 0.000 1.045 375 T CB 1.252 70.094 68.868 -0.043 0.000 0.917 375 T HN 0.795 nan 8.240 nan 0.000 0.484 376 T N -1.008 113.399 114.554 -0.244 0.000 2.990 376 T HA -0.002 4.349 4.350 0.002 0.000 0.250 376 T C 1.973 176.612 174.700 -0.102 0.000 1.041 376 T CA -0.528 61.334 62.100 -0.398 0.000 1.010 376 T CB -0.171 68.056 68.868 -1.067 0.000 1.003 376 T HN 0.831 nan 8.240 nan 0.000 0.499 377 W N 3.303 124.597 121.300 -0.009 0.000 2.325 377 W HA -0.186 4.475 4.660 0.002 0.000 0.299 377 W C 1.681 178.248 176.519 0.081 0.000 1.215 377 W CA 1.401 58.780 57.345 0.056 0.000 1.244 377 W CB -1.334 28.148 29.460 0.037 0.000 1.140 377 W HN 0.472 nan 8.180 nan 0.000 0.523 378 S N 0.120 115.382 115.700 -0.729 0.000 2.527 378 S HA -0.054 4.417 4.470 0.002 0.000 0.222 378 S C 1.298 175.760 174.600 -0.230 0.000 0.985 378 S CA 0.769 58.583 58.200 -0.643 0.000 0.921 378 S CB -0.224 62.305 63.200 -1.119 0.000 0.772 378 S HN 0.172 nan 8.310 nan 0.000 0.529 379 E N 1.129 121.278 120.200 -0.086 0.000 2.489 379 E HA 0.153 4.504 4.350 0.002 0.000 0.204 379 E C 1.372 178.104 176.600 0.220 0.000 1.006 379 E CA 0.355 56.800 56.400 0.075 0.000 0.936 379 E CB -0.469 29.357 29.700 0.209 0.000 1.002 379 E HN 0.497 nan 8.360 nan 0.000 0.488 380 T N 0.945 115.646 114.554 0.245 0.000 2.665 380 T HA -0.191 4.161 4.350 0.002 0.000 0.268 380 T C 1.986 176.484 174.700 -0.336 0.000 1.035 380 T CA 2.149 64.255 62.100 0.010 0.000 1.151 380 T CB -0.341 68.589 68.868 0.104 0.000 0.862 380 T HN 0.184 nan 8.240 nan 0.000 0.438 381 T N 1.142 115.639 114.554 -0.096 0.000 2.788 381 T HA -0.133 4.218 4.350 0.002 0.000 0.268 381 T C 2.052 176.716 174.700 -0.060 0.000 1.044 381 T CA 1.831 63.914 62.100 -0.027 0.000 1.139 381 T CB -0.720 68.194 68.868 0.077 0.000 0.867 381 T HN 0.469 nan 8.240 nan 0.000 0.454 382 T N 1.215 115.716 114.554 -0.089 0.000 2.867 382 T HA -0.036 4.316 4.350 0.002 0.000 0.268 382 T C 1.980 176.640 174.700 -0.066 0.000 1.057 382 T CA 1.055 63.100 62.100 -0.090 0.000 1.136 382 T CB -0.433 68.358 68.868 -0.127 0.000 0.874 382 T HN 0.237 nan 8.240 nan 0.000 0.466 383 V N 0.982 120.791 119.914 -0.176 0.000 2.407 383 V HA -0.120 4.001 4.120 0.002 0.000 0.248 383 V C 2.119 178.133 176.094 -0.132 0.000 1.055 383 V CA 1.519 63.679 62.300 -0.232 0.000 1.049 383 V CB -0.762 30.781 31.823 -0.468 0.000 0.662 383 V HN 0.387 nan 8.190 nan 0.000 0.455 384 F N -0.189 119.708 119.950 -0.089 0.000 2.234 384 F HA 0.014 4.542 4.527 0.003 0.000 0.296 384 F C 2.330 178.050 175.800 -0.133 0.000 1.089 384 F CA 1.305 59.220 58.000 -0.141 0.000 1.343 384 F CB -1.291 37.612 39.000 -0.161 0.000 1.040 384 F HN 0.293 nan 8.300 nan 0.000 0.498 385 H N 0.036 119.091 119.070 -0.025 0.000 2.293 385 H HA -0.083 4.474 4.556 0.002 0.000 0.300 385 H C 1.980 177.128 175.328 -0.300 0.000 1.082 385 H CA 2.043 57.993 56.048 -0.162 0.000 1.308 385 H CB 0.165 29.855 29.762 -0.120 0.000 1.375 385 H HN -0.030 nan 8.280 nan 0.000 0.495 386 E N -0.197 120.044 120.200 0.067 0.000 2.299 386 E HA 0.049 4.401 4.350 0.002 0.000 0.193 386 E C 1.389 177.980 176.600 -0.015 0.000 0.998 386 E CA 0.686 57.128 56.400 0.070 0.000 0.851 386 E CB 0.486 30.323 29.700 0.229 0.000 0.795 386 E HN 0.635 nan 8.360 nan 0.000 0.492 387 G N 0.379 109.159 108.800 -0.034 0.000 3.157 387 G HA2 0.302 4.263 3.960 0.002 0.000 0.206 387 G HA3 0.302 4.263 3.960 0.002 0.000 0.206 387 G C -0.249 174.622 174.900 -0.047 0.000 1.903 387 G CA -0.205 44.866 45.100 -0.048 0.000 0.771 387 G HN 0.004 nan 8.290 nan 0.000 0.750 388 V N 2.496 122.396 119.914 -0.023 0.000 2.417 388 V HA 0.416 4.537 4.120 0.002 0.000 0.291 388 V C -1.749 174.260 176.094 -0.142 0.000 1.024 388 V CA -1.131 61.119 62.300 -0.083 0.000 0.861 388 V CB 2.383 34.163 31.823 -0.073 0.000 0.985 388 V HN 0.548 nan 8.190 nan 0.000 0.436 389 P HA 0.224 nan 4.420 nan 0.000 0.263 389 P C 0.721 177.921 177.300 -0.166 0.000 1.448 389 P CA 0.131 63.008 63.100 -0.371 0.000 0.983 389 P CB 0.825 32.202 31.700 -0.538 0.000 1.481 390 G N 0.725 109.440 108.800 -0.142 0.000 3.107 390 G HA2 -0.090 3.871 3.960 0.002 0.000 0.155 390 G HA3 -0.090 3.871 3.960 0.002 0.000 0.155 390 G C 1.065 176.024 174.900 0.098 0.000 1.875 390 G CA 0.208 45.237 45.100 -0.118 0.000 1.004 390 G HN 0.107 nan 8.290 nan 0.000 0.480 391 H N -0.484 118.538 119.070 -0.081 0.000 2.357 391 H HA -0.157 4.401 4.556 0.002 0.000 0.296 391 H C 2.219 177.299 175.328 -0.414 0.000 1.108 391 H CA 1.993 57.928 56.048 -0.188 0.000 1.273 391 H CB -0.720 28.875 29.762 -0.277 0.000 1.367 391 H HN 0.639 nan 8.280 nan 0.000 0.498 392 H N 0.504 119.249 119.070 -0.541 0.000 2.321 392 H HA -0.039 4.519 4.556 0.002 0.000 0.300 392 H C 2.376 177.626 175.328 -0.130 0.000 1.087 392 H CA 1.442 57.234 56.048 -0.428 0.000 1.319 392 H CB -0.365 29.263 29.762 -0.223 0.000 1.379 392 H HN 0.190 nan 8.280 nan 0.000 0.501 393 L N -0.028 121.062 121.223 -0.222 0.000 2.093 393 L HA -0.150 4.191 4.340 0.002 0.000 0.208 393 L C 2.717 179.401 176.870 -0.310 0.000 1.085 393 L CA 1.395 56.042 54.840 -0.322 0.000 0.755 393 L CB -0.499 41.312 42.059 -0.414 0.000 0.904 393 L HN 0.426 nan 8.230 nan 0.000 0.435 394 Q N 0.445 120.062 119.800 -0.305 0.000 1.990 394 Q HA -0.151 4.190 4.340 0.002 0.000 0.200 394 Q C 2.263 178.195 176.000 -0.113 0.000 0.980 394 Q CA 1.918 57.493 55.803 -0.381 0.000 0.832 394 Q CB -0.123 28.334 28.738 -0.469 0.000 0.897 394 Q HN 0.337 nan 8.270 nan 0.000 0.427 395 V N 1.552 121.465 119.914 -0.002 0.000 2.295 395 V HA -0.248 3.873 4.120 0.002 0.000 0.246 395 V C 2.581 178.729 176.094 0.090 0.000 1.049 395 V CA 1.933 64.300 62.300 0.111 0.000 1.024 395 V CB -1.228 30.761 31.823 0.277 0.000 0.648 395 V HN 0.479 nan 8.190 nan 0.000 0.447 396 A N -0.460 122.375 122.820 0.026 0.000 1.972 396 A HA -0.205 4.116 4.320 0.002 0.000 0.219 396 A C 2.375 180.060 177.584 0.169 0.000 1.169 396 A CA 2.372 54.456 52.037 0.079 0.000 0.635 396 A CB -0.868 18.041 19.000 -0.151 0.000 0.810 396 A HN 0.517 nan 8.150 nan 0.000 0.446 397 T N 0.277 114.840 114.554 0.014 0.000 2.777 397 T HA -0.000 4.351 4.350 0.002 0.000 0.266 397 T C 2.259 177.034 174.700 0.125 0.000 1.040 397 T CA 1.486 63.614 62.100 0.045 0.000 1.141 397 T CB -0.451 68.376 68.868 -0.068 0.000 0.868 397 T HN 0.595 nan 8.240 nan 0.000 0.444 398 A N 1.391 124.257 122.820 0.078 0.000 1.908 398 A HA -0.159 4.162 4.320 0.002 0.000 0.218 398 A C 2.550 180.207 177.584 0.122 0.000 1.181 398 A CA 2.195 54.281 52.037 0.082 0.000 0.627 398 A CB -1.286 17.751 19.000 0.062 0.000 0.818 398 A HN 0.480 nan 8.150 nan 0.000 0.445 399 T N -1.861 112.786 114.554 0.156 0.000 2.777 399 T HA -0.140 4.212 4.350 0.002 0.000 0.266 399 T C 1.783 176.663 174.700 0.300 0.000 1.040 399 T CA 1.526 63.723 62.100 0.163 0.000 1.141 399 T CB -0.420 68.491 68.868 0.071 0.000 0.868 399 T HN 0.519 nan 8.240 nan 0.000 0.444 400 Y N 2.175 122.661 120.300 0.311 0.000 2.207 400 Y HA -0.122 4.429 4.550 0.002 0.000 0.287 400 Y C 2.044 178.008 175.900 0.106 0.000 1.156 400 Y CA 1.250 59.494 58.100 0.240 0.000 1.182 400 Y CB 0.027 38.528 38.460 0.067 0.000 0.979 400 Y HN -0.058 nan 8.280 nan 0.000 0.521 401 R N 0.992 121.590 120.500 0.163 0.000 2.335 401 R HA 0.043 4.384 4.340 0.002 0.000 0.223 401 R C 1.952 178.269 176.300 0.029 0.000 0.940 401 R CA 0.531 56.669 56.100 0.064 0.000 1.086 401 R CB -0.395 29.957 30.300 0.088 0.000 1.073 401 R HN 0.602 nan 8.270 nan 0.000 0.504 402 R N 0.527 121.047 120.500 0.033 0.000 2.120 402 R HA -0.081 4.260 4.340 0.002 0.000 0.234 402 R C 1.052 177.357 176.300 0.009 0.000 1.123 402 R CA 1.211 57.327 56.100 0.026 0.000 0.975 402 R CB -0.287 30.031 30.300 0.029 0.000 0.866 402 R HN 0.193 nan 8.270 nan 0.000 0.446 403 E N 0.948 121.140 120.200 -0.013 0.000 2.409 403 E HA -0.056 4.295 4.350 0.002 0.000 0.198 403 E C 1.285 177.883 176.600 -0.003 0.000 1.024 403 E CA 0.688 57.079 56.400 -0.014 0.000 0.861 403 E CB 0.055 29.735 29.700 -0.034 0.000 0.788 403 E HN 0.465 nan 8.360 nan 0.000 0.521 404 L N 0.623 121.849 121.223 0.004 0.000 2.653 404 L HA 0.224 4.565 4.340 0.002 0.000 0.231 404 L C 0.162 177.049 176.870 0.028 0.000 1.153 404 L CA -0.020 54.828 54.840 0.014 0.000 0.933 404 L CB 0.304 42.372 42.059 0.014 0.000 1.175 404 L HN -0.041 nan 8.230 nan 0.000 0.473 405 L N 1.040 122.283 121.223 0.034 0.000 2.376 405 L HA 0.312 4.654 4.340 0.002 0.000 0.275 405 L C -0.301 176.606 176.870 0.062 0.000 0.987 405 L CA -0.827 54.044 54.840 0.052 0.000 0.828 405 L CB 1.812 43.899 42.059 0.046 0.000 1.249 405 L HN 0.173 nan 8.230 nan 0.000 0.409 406 N N 1.683 120.437 118.700 0.090 0.000 2.260 406 N HA -0.013 4.728 4.740 0.002 0.000 0.230 406 N C 0.487 176.071 175.510 0.124 0.000 1.323 406 N CA -0.291 52.823 53.050 0.106 0.000 0.897 406 N CB 0.364 38.926 38.487 0.125 0.000 1.146 406 N HN 0.387 nan 8.380 nan 0.000 0.460 407 N N -1.316 117.460 118.700 0.127 0.000 2.309 407 N HA -0.105 4.636 4.740 0.002 0.000 0.182 407 N C 1.076 176.685 175.510 0.165 0.000 1.018 407 N CA 0.609 53.724 53.050 0.109 0.000 0.876 407 N CB -0.529 38.008 38.487 0.082 0.000 0.972 407 N HN 0.708 nan 8.380 nan 0.000 0.434 408 W N 2.748 124.089 121.300 0.069 0.000 2.355 408 W HA -0.040 4.621 4.660 0.002 0.000 0.309 408 W C 2.104 178.676 176.519 0.087 0.000 1.206 408 W CA 1.278 58.683 57.345 0.100 0.000 1.284 408 W CB 0.010 29.546 29.460 0.127 0.000 1.145 408 W HN -0.090 nan 8.180 nan 0.000 0.502 409 R N 0.068 120.696 120.500 0.213 0.000 2.096 409 R HA -0.097 4.244 4.340 0.002 0.000 0.235 409 R C 2.181 178.440 176.300 -0.070 0.000 1.127 409 R CA 1.574 57.690 56.100 0.026 0.000 0.968 409 R CB -0.748 29.638 30.300 0.144 0.000 0.861 409 R HN 0.321 nan 8.270 nan 0.000 0.440 410 R N 0.183 120.679 120.500 -0.006 0.000 2.075 410 R HA -0.008 4.333 4.340 0.002 0.000 0.226 410 R C 1.187 177.470 176.300 -0.029 0.000 1.114 410 R CA 1.395 57.489 56.100 -0.009 0.000 0.972 410 R CB -0.076 30.230 30.300 0.010 0.000 0.869 410 R HN 0.376 nan 8.270 nan 0.000 0.437 411 N N -1.221 117.459 118.700 -0.034 0.000 2.210 411 N HA 0.045 4.786 4.740 0.002 0.000 0.203 411 N C 0.872 176.425 175.510 0.072 0.000 1.175 411 N CA -0.181 52.874 53.050 0.010 0.000 0.894 411 N CB 1.246 39.736 38.487 0.005 0.000 1.041 411 N HN -0.105 nan 8.380 nan 0.000 0.506 412 V N -0.524 119.311 119.914 -0.131 0.000 3.001 412 V HA 0.134 4.255 4.120 0.002 0.000 0.228 412 V C 0.812 176.640 176.094 -0.444 0.000 1.204 412 V CA -0.071 62.069 62.300 -0.267 0.000 1.247 412 V CB 0.277 31.850 31.823 -0.417 0.000 1.093 412 V HN 0.215 nan 8.190 nan 0.000 0.504 413 C N 2.287 121.048 119.300 -0.898 0.000 2.648 413 C HA 0.288 4.749 4.460 0.002 0.000 0.406 413 C C -0.470 174.394 174.990 -0.210 0.000 1.406 413 C CA -0.313 58.240 59.018 -0.775 0.000 1.610 413 C CB -1.871 25.116 27.740 -1.255 0.000 2.451 413 C HN 0.618 nan 8.230 nan 0.000 0.608 414 W N 5.361 126.498 121.300 -0.272 0.000 3.211 414 W HA 0.592 5.253 4.660 0.002 0.000 0.335 414 W C -1.857 174.611 176.519 -0.084 0.000 1.113 414 W CA -0.657 56.598 57.345 -0.150 0.000 1.235 414 W CB 1.348 30.752 29.460 -0.094 0.000 1.365 414 W HN 0.443 nan 8.180 nan 0.000 0.476 415 V N 5.666 125.094 119.914 -0.810 0.000 2.444 415 V HA 0.170 4.291 4.120 0.002 0.000 0.294 415 V C 0.810 176.294 176.094 -1.017 0.000 1.022 415 V CA -0.060 61.838 62.300 -0.670 0.000 0.850 415 V CB 1.127 32.757 31.823 -0.321 0.000 0.992 415 V HN 0.754 nan 8.190 nan 0.000 0.426 416 S N 4.801 119.955 115.700 -0.910 0.000 2.372 416 S HA -0.182 4.289 4.470 0.002 0.000 0.227 416 S C 2.088 176.497 174.600 -0.319 0.000 1.044 416 S CA 2.656 60.484 58.200 -0.619 0.000 1.050 416 S CB -0.402 62.708 63.200 -0.150 0.000 0.901 416 S HN 1.106 nan 8.310 nan 0.000 0.447 417 G N 0.730 109.421 108.800 -0.181 0.000 2.448 417 G HA2 -0.246 3.715 3.960 0.002 0.000 0.219 417 G HA3 -0.246 3.715 3.960 0.002 0.000 0.219 417 G C 1.442 176.386 174.900 0.073 0.000 1.127 417 G CA 1.093 46.163 45.100 -0.049 0.000 0.766 417 G HN 0.724 nan 8.290 nan 0.000 0.552 418 H N 1.076 120.107 119.070 -0.064 0.000 2.276 418 H HA -0.047 4.511 4.556 0.002 0.000 0.301 418 H C 2.714 178.227 175.328 0.308 0.000 1.073 418 H CA 1.942 58.069 56.048 0.130 0.000 1.311 418 H CB -0.569 29.152 29.762 -0.067 0.000 1.379 418 H HN 0.261 nan 8.280 nan 0.000 0.494 419 G N 0.461 109.371 108.800 0.184 0.000 2.408 419 G HA2 -0.133 3.828 3.960 0.002 0.000 0.215 419 G HA3 -0.133 3.828 3.960 0.002 0.000 0.215 419 G C 1.626 176.704 174.900 0.295 0.000 1.156 419 G CA 0.220 45.492 45.100 0.287 0.000 0.793 419 G HN 0.366 nan 8.290 nan 0.000 0.535 420 E N 0.980 121.293 120.200 0.190 0.000 2.107 420 E HA -0.037 4.314 4.350 0.002 0.000 0.191 420 E C 2.763 179.456 176.600 0.156 0.000 0.982 420 E CA 0.892 57.411 56.400 0.198 0.000 0.809 420 E CB -0.836 28.829 29.700 -0.058 0.000 0.756 420 E HN 0.325 nan 8.360 nan 0.000 0.459 421 G N 1.333 110.235 108.800 0.169 0.000 2.469 421 G HA2 -0.273 3.688 3.960 0.002 0.000 0.219 421 G HA3 -0.273 3.688 3.960 0.002 0.000 0.219 421 G C 1.361 176.271 174.900 0.017 0.000 1.150 421 G CA 0.738 45.983 45.100 0.241 0.000 0.763 421 G HN 0.352 nan 8.290 nan 0.000 0.561 422 W N 1.658 122.758 121.300 -0.334 0.000 2.358 422 W HA -0.021 4.640 4.660 0.001 0.000 0.303 422 W C 2.475 178.771 176.519 -0.371 0.000 1.208 422 W CA 1.724 58.620 57.345 -0.749 0.000 1.274 422 W CB -0.299 28.699 29.460 -0.770 0.000 1.138 422 W HN 0.316 nan 8.180 nan 0.000 0.515 423 A N 0.754 123.362 122.820 -0.353 0.000 1.933 423 A HA -0.180 4.141 4.320 0.002 0.000 0.218 423 A C 1.945 179.218 177.584 -0.517 0.000 1.175 423 A CA 1.637 53.281 52.037 -0.656 0.000 0.628 423 A CB -0.995 17.303 19.000 -1.171 0.000 0.814 423 A HN 0.289 nan 8.150 nan 0.000 0.444 424 L N -1.942 119.141 121.223 -0.233 0.000 2.046 424 L HA -0.143 4.198 4.340 0.002 0.000 0.208 424 L C 2.398 179.189 176.870 -0.132 0.000 1.077 424 L CA 1.969 56.783 54.840 -0.044 0.000 0.747 424 L CB -1.052 41.082 42.059 0.125 0.000 0.896 424 L HN 0.601 nan 8.230 nan 0.000 0.432 425 Y N 0.249 120.322 120.300 -0.379 0.000 2.151 425 Y HA -0.340 4.211 4.550 0.001 0.000 0.284 425 Y C 2.380 177.942 175.900 -0.563 0.000 1.166 425 Y CA 1.710 59.537 58.100 -0.455 0.000 1.163 425 Y CB -0.288 37.772 38.460 -0.667 0.000 0.974 425 Y HN 0.135 nan 8.280 nan 0.000 0.511 426 A N 0.300 122.683 122.820 -0.728 0.000 1.902 426 A HA -0.212 4.110 4.320 0.002 0.000 0.217 426 A C 2.068 179.411 177.584 -0.401 0.000 1.181 426 A CA 1.951 53.588 52.037 -0.666 0.000 0.623 426 A CB -0.736 17.834 19.000 -0.717 0.000 0.818 426 A HN 0.666 nan 8.150 nan 0.000 0.443 427 E N -1.048 119.000 120.200 -0.253 0.000 2.077 427 E HA -0.253 4.098 4.350 0.002 0.000 0.193 427 E C 2.245 178.772 176.600 -0.122 0.000 0.989 427 E CA 1.371 57.721 56.400 -0.083 0.000 0.800 427 E CB -0.153 29.567 29.700 0.033 0.000 0.746 427 E HN 0.690 nan 8.360 nan 0.000 0.452 428 Q N 0.986 120.679 119.800 -0.179 0.000 2.124 428 Q HA -0.122 4.220 4.340 0.002 0.000 0.202 428 Q C 0.927 176.776 176.000 -0.252 0.000 0.977 428 Q CA 0.752 56.450 55.803 -0.175 0.000 0.850 428 Q CB -0.197 28.439 28.738 -0.170 0.000 0.901 428 Q HN 0.120 nan 8.270 nan 0.000 0.429 432 E N 0.578 120.726 120.200 -0.086 0.000 2.204 432 E HA -0.013 4.338 4.350 0.002 0.000 0.194 432 E C 1.586 178.149 176.600 -0.062 0.000 0.989 432 E CA 1.541 57.897 56.400 -0.073 0.000 0.824 432 E CB -0.006 29.644 29.700 -0.083 0.000 0.756 432 E HN 0.484 nan 8.360 nan 0.000 0.477 433 L N -0.618 120.576 121.223 -0.049 0.000 2.591 433 L HA 0.160 4.501 4.340 0.002 0.000 0.228 433 L C 1.267 178.060 176.870 -0.128 0.000 1.133 433 L CA 0.341 55.160 54.840 -0.034 0.000 0.880 433 L CB 0.147 42.234 42.059 0.047 0.000 1.033 433 L HN 0.271 nan 8.230 nan 0.000 0.450 434 G N -1.120 107.613 108.800 -0.112 0.000 2.141 434 G HA2 -0.331 3.630 3.960 0.002 0.000 0.231 434 G HA3 -0.331 3.630 3.960 0.002 0.000 0.231 434 G C 0.361 175.119 174.900 -0.235 0.000 0.984 434 G CA -0.021 44.974 45.100 -0.175 0.000 0.660 434 G HN 0.338 nan 8.290 nan 0.000 0.525 435 Y N -0.177 120.088 120.300 -0.059 0.000 2.571 435 Y HA 0.349 4.900 4.550 0.002 0.000 0.294 435 Y C 2.170 178.141 175.900 0.119 0.000 1.141 435 Y CA 1.037 59.146 58.100 0.015 0.000 1.308 435 Y CB 0.281 38.677 38.460 -0.108 0.000 1.002 435 Y HN 0.344 nan 8.280 nan 0.000 0.551 436 L N -0.172 121.144 121.223 0.155 0.000 3.141 436 L HA 0.202 4.543 4.340 0.002 0.000 0.263 436 L C 1.186 178.080 176.870 0.039 0.000 1.312 436 L CA -0.003 54.913 54.840 0.127 0.000 1.012 436 L CB 0.267 42.367 42.059 0.068 0.000 1.408 436 L HN 0.045 nan 8.230 nan 0.000 0.559 437 K N 0.041 120.472 120.400 0.051 0.000 2.167 437 K HA -0.054 4.267 4.320 0.002 0.000 0.203 437 K C 0.482 177.139 176.600 0.096 0.000 1.052 437 K CA 0.349 56.661 56.287 0.041 0.000 0.956 437 K CB 0.112 32.619 32.500 0.012 0.000 0.735 437 K HN 0.267 nan 8.250 nan 0.000 0.451 438 D N 1.445 121.913 120.400 0.113 0.000 2.487 438 D HA -0.035 4.606 4.640 0.002 0.000 0.243 438 D C -1.851 174.540 176.300 0.152 0.000 1.154 438 D CA -1.270 52.803 54.000 0.122 0.000 0.876 438 D CB 1.204 42.088 40.800 0.141 0.000 1.161 438 D HN -0.131 nan 8.370 nan 0.000 0.478 439 P HA -0.048 nan 4.420 nan 0.000 0.218 439 P C 1.301 178.642 177.300 0.068 0.000 1.148 439 P CA 1.101 64.256 63.100 0.092 0.000 0.822 439 P CB 0.110 31.815 31.700 0.009 0.000 0.784 440 G N 0.110 108.938 108.800 0.046 0.000 2.433 440 G HA2 -0.236 3.725 3.960 0.002 0.000 0.216 440 G HA3 -0.236 3.725 3.960 0.002 0.000 0.216 440 G C 1.242 176.326 174.900 0.307 0.000 1.186 440 G CA 0.884 46.008 45.100 0.040 0.000 0.779 440 G HN 0.162 nan 8.290 nan 0.000 0.543 441 D N -0.276 120.305 120.400 0.302 0.000 2.117 441 D HA -0.039 4.602 4.640 0.002 0.000 0.197 441 D C 1.276 177.774 176.300 0.329 0.000 0.987 441 D CA 0.496 54.691 54.000 0.324 0.000 0.829 441 D CB -0.410 40.553 40.800 0.272 0.000 0.961 441 D HN 0.521 nan 8.370 nan 0.000 0.460 447 D N 1.282 121.738 120.400 0.092 0.000 2.104 447 D HA -0.133 4.508 4.640 0.002 0.000 0.194 447 D C 1.907 178.212 176.300 0.008 0.000 0.994 447 D CA 2.048 56.082 54.000 0.058 0.000 0.830 447 D CB -0.154 40.701 40.800 0.092 0.000 0.959 447 D HN 0.444 nan 8.370 nan 0.000 0.452 448 G N 0.334 109.137 108.800 0.005 0.000 2.408 448 G HA2 -0.232 3.729 3.960 0.002 0.000 0.217 448 G HA3 -0.232 3.729 3.960 0.002 0.000 0.217 448 G C 1.547 176.437 174.900 -0.016 0.000 1.150 448 G CA 0.325 45.405 45.100 -0.034 0.000 0.776 448 G HN 0.193 nan 8.290 nan 0.000 0.542 449 Q N 0.000 119.814 119.800 0.023 0.000 2.079 449 Q HA -0.021 4.321 4.340 0.002 0.000 0.200 449 Q C 1.852 177.852 176.000 0.001 0.000 0.974 449 Q CA 0.398 56.220 55.803 0.032 0.000 0.840 449 Q CB -0.148 28.624 28.738 0.056 0.000 0.898 449 Q HN 0.491 nan 8.270 nan 0.000 0.430 453 A N 1.443 124.250 122.820 -0.022 0.000 1.898 453 A HA 0.093 4.414 4.320 0.002 0.000 0.216 453 A C 2.214 179.789 177.584 -0.014 0.000 1.181 453 A CA 1.810 53.821 52.037 -0.044 0.000 0.620 453 A CB -0.509 18.433 19.000 -0.098 0.000 0.819 453 A HN 0.341 nan 8.150 nan 0.000 0.442 454 A N -0.054 122.746 122.820 -0.035 0.000 1.940 454 A HA -0.204 4.117 4.320 0.002 0.000 0.219 454 A C 2.219 179.863 177.584 0.100 0.000 1.176 454 A CA 1.643 53.686 52.037 0.010 0.000 0.631 454 A CB -0.494 18.316 19.000 -0.317 0.000 0.814 454 A HN 0.556 nan 8.150 nan 0.000 0.446 455 R N -0.768 119.705 120.500 -0.045 0.000 2.105 455 R HA -0.103 4.239 4.340 0.002 0.000 0.239 455 R C 2.038 178.338 176.300 0.000 0.000 1.135 455 R CA 1.489 57.494 56.100 -0.158 0.000 0.967 455 R CB -0.554 29.576 30.300 -0.284 0.000 0.861 455 R HN 0.423 nan 8.270 nan 0.000 0.442 456 V N 0.255 120.211 119.914 0.071 0.000 2.261 456 V HA -0.224 3.897 4.120 0.002 0.000 0.246 456 V C 2.323 178.501 176.094 0.141 0.000 1.047 456 V CA 1.692 64.079 62.300 0.144 0.000 1.015 456 V CB -0.357 31.581 31.823 0.191 0.000 0.642 456 V HN 0.122 nan 8.190 nan 0.000 0.446 457 V N -0.587 119.386 119.914 0.097 0.000 2.261 457 V HA -0.277 3.844 4.120 0.002 0.000 0.246 457 V C 2.145 178.155 176.094 -0.139 0.000 1.047 457 V CA 2.536 64.853 62.300 0.028 0.000 1.015 457 V CB -0.752 31.035 31.823 -0.060 0.000 0.642 457 V HN 0.553 nan 8.190 nan 0.000 0.446 458 F N 1.283 121.081 119.950 -0.252 0.000 2.069 458 F HA -0.246 4.282 4.527 0.002 0.000 0.298 458 F C 2.233 177.843 175.800 -0.317 0.000 1.113 458 F CA 2.413 60.166 58.000 -0.413 0.000 1.214 458 F CB -0.253 38.734 39.000 -0.022 0.000 0.978 458 F HN 0.219 nan 8.300 nan 0.000 0.474 459 D N 0.184 120.691 120.400 0.178 0.000 2.084 459 D HA -0.170 4.471 4.640 0.002 0.000 0.196 459 D C 2.211 178.489 176.300 -0.037 0.000 0.985 459 D CA 1.936 56.082 54.000 0.244 0.000 0.826 459 D CB -0.204 40.783 40.800 0.312 0.000 0.978 459 D HN 0.385 nan 8.370 nan 0.000 0.456 460 I N -0.103 120.382 120.570 -0.141 0.000 2.233 460 I HA -0.060 4.111 4.170 0.002 0.000 0.243 460 I C 2.490 178.328 176.117 -0.466 0.000 1.093 460 I CA 1.111 62.183 61.300 -0.380 0.000 1.380 460 I CB -0.529 37.403 38.000 -0.113 0.000 1.067 460 I HN 0.090 nan 8.210 nan 0.000 0.413 461 G N 0.596 109.102 108.800 -0.490 0.000 2.421 461 G HA2 -0.176 3.785 3.960 0.002 0.000 0.216 461 G HA3 -0.176 3.785 3.960 0.002 0.000 0.216 461 G C 1.699 176.238 174.900 -0.601 0.000 1.171 461 G CA 0.967 45.652 45.100 -0.691 0.000 0.775 461 G HN 0.232 nan 8.290 nan 0.000 0.543 462 V N 0.134 119.556 119.914 -0.821 0.000 2.323 462 V HA -0.109 4.012 4.120 0.002 0.000 0.244 462 V C 2.379 178.207 176.094 -0.443 0.000 1.041 462 V CA 2.026 63.933 62.300 -0.656 0.000 1.025 462 V CB -0.757 30.416 31.823 -1.084 0.000 0.656 462 V HN 0.480 nan 8.190 nan 0.000 0.451 463 H N -0.951 117.926 119.070 -0.321 0.000 2.457 463 H HA -0.000 4.557 4.556 0.002 0.000 0.294 463 H C 1.590 176.785 175.328 -0.222 0.000 1.064 463 H CA 0.979 56.900 56.048 -0.212 0.000 1.330 463 H CB 0.195 29.878 29.762 -0.130 0.000 1.395 463 H HN 0.243 nan 8.280 nan 0.000 0.541 464 L N 0.140 121.237 121.223 -0.210 0.000 2.640 464 L HA 0.079 4.420 4.340 0.002 0.000 0.230 464 L C 0.252 177.044 176.870 -0.130 0.000 1.123 464 L CA 0.433 55.169 54.840 -0.174 0.000 0.900 464 L CB -0.020 41.898 42.059 -0.234 0.000 1.146 464 L HN 0.156 nan 8.230 nan 0.000 0.484 465 E N 0.260 120.392 120.200 -0.112 0.000 2.252 465 E HA -0.225 4.126 4.350 0.002 0.000 0.218 465 E C -0.241 176.337 176.600 -0.037 0.000 1.253 465 E CA 0.080 56.457 56.400 -0.037 0.000 0.705 465 E CB -1.583 28.101 29.700 -0.027 0.000 1.172 465 E HN 0.381 nan 8.360 nan 0.000 0.369 466 L N -0.094 121.096 121.223 -0.054 0.000 2.456 466 L HA 0.371 4.713 4.340 0.002 0.000 0.257 466 L C -1.825 175.032 176.870 -0.022 0.000 1.162 466 L CA -2.183 52.589 54.840 -0.114 0.000 0.808 466 L CB 0.104 41.892 42.059 -0.451 0.000 1.136 466 L HN -0.138 nan 8.230 nan 0.000 0.466 467 P HA 0.001 nan 4.420 nan 0.000 0.264 467 P C -0.654 176.589 177.300 -0.095 0.000 1.193 467 P CA -0.108 62.957 63.100 -0.058 0.000 0.763 467 P CB 0.427 32.134 31.700 0.010 0.000 0.810 468 V N 6.959 126.635 119.914 -0.397 0.000 2.637 468 V HA 0.118 4.239 4.120 0.002 0.000 0.296 468 V C -1.765 174.214 176.094 -0.191 0.000 1.046 468 V CA -1.226 60.672 62.300 -0.671 0.000 1.066 468 V CB 0.040 31.304 31.823 -0.931 0.000 0.968 468 V HN 0.555 nan 8.190 nan 0.000 0.483 469 P HA 0.138 nan 4.420 nan 0.000 0.271 469 P C 0.753 178.028 177.300 -0.041 0.000 1.218 469 P CA -0.376 62.758 63.100 0.057 0.000 0.780 469 P CB 0.462 32.283 31.700 0.202 0.000 0.901 470 E N 2.888 123.039 120.200 -0.081 0.000 2.204 470 E HA -0.258 4.093 4.350 0.002 0.000 0.195 470 E C 1.745 178.228 176.600 -0.195 0.000 0.990 470 E CA 0.730 57.059 56.400 -0.118 0.000 0.821 470 E CB -0.378 29.264 29.700 -0.096 0.000 0.750 470 E HN 0.296 nan 8.360 nan 0.000 0.477 471 R N 0.130 120.431 120.500 -0.332 0.000 2.152 471 R HA -0.127 4.214 4.340 0.002 0.000 0.232 471 R C 0.868 176.759 176.300 -0.681 0.000 1.117 471 R CA 1.923 57.639 56.100 -0.640 0.000 0.981 471 R CB -0.110 29.592 30.300 -0.996 0.000 0.870 471 R HN 0.393 nan 8.270 nan 0.000 0.451 472 W N -1.282 120.042 121.300 0.039 0.000 2.998 472 W HA 0.426 5.087 4.660 0.001 0.000 0.336 472 W C 0.691 177.179 176.519 -0.052 0.000 1.112 472 W CA -0.041 57.358 57.345 0.090 0.000 1.682 472 W CB 1.050 30.643 29.460 0.221 0.000 1.065 472 W HN 0.249 nan 8.180 nan 0.000 0.570 473 G N 0.148 108.954 108.800 0.010 0.000 2.367 473 G HA2 0.377 4.338 3.960 0.002 0.000 0.272 473 G HA3 0.377 4.338 3.960 0.002 0.000 0.272 473 G C -0.892 173.922 174.900 -0.142 0.000 1.271 473 G CA -0.175 44.873 45.100 -0.086 0.000 0.893 473 G HN -0.070 nan 8.290 nan 0.000 0.485 474 T N -3.052 111.408 114.554 -0.158 0.000 2.865 474 T HA 0.892 5.243 4.350 0.002 0.000 0.294 474 T C 0.934 175.537 174.700 -0.162 0.000 1.119 474 T CA 0.652 62.670 62.100 -0.137 0.000 1.007 474 T CB 1.423 70.242 68.868 -0.083 0.000 1.225 474 T HN 2.808 nan 8.240 nan 0.000 0.515 475 G N 1.082 109.806 108.800 -0.127 0.000 2.562 475 G HA2 0.100 4.061 3.960 0.002 0.000 0.250 475 G HA3 0.100 4.061 3.960 0.002 0.000 0.250 475 G C 0.037 174.839 174.900 -0.165 0.000 1.269 475 G CA 0.317 45.347 45.100 -0.115 0.000 0.919 475 G HN 2.096 nan 8.290 nan 0.000 0.574 476 T N -2.586 111.888 114.554 -0.134 0.000 2.952 476 T HA 0.570 4.921 4.350 0.002 0.000 0.286 476 T C -0.023 174.600 174.700 -0.128 0.000 1.024 476 T CA -0.176 61.841 62.100 -0.139 0.000 1.029 476 T CB 1.617 70.451 68.868 -0.056 0.000 1.094 476 T HN 0.752 nan 8.240 nan 0.000 0.515 477 W N 1.789 123.032 121.300 -0.095 0.000 2.181 477 W HA 0.413 5.074 4.660 0.002 0.000 0.335 477 W C 1.044 177.501 176.519 -0.103 0.000 1.310 477 W CA 0.023 57.297 57.345 -0.119 0.000 1.226 477 W CB 0.741 30.071 29.460 -0.218 0.000 1.155 477 W HN 0.999 nan 8.180 nan 0.000 0.565 478 T N 0.106 114.814 114.554 0.257 0.000 2.901 478 T HA 0.379 4.730 4.350 0.002 0.000 0.293 478 T C -2.236 172.588 174.700 0.208 0.000 1.084 478 T CA -2.081 60.114 62.100 0.159 0.000 1.008 478 T CB 2.059 71.000 68.868 0.121 0.000 1.170 478 T HN 0.018 nan 8.240 nan 0.000 0.509 479 P HA -0.097 nan 4.420 nan 0.000 0.215 479 P C 1.445 179.046 177.300 0.501 0.000 1.153 479 P CA 1.027 64.325 63.100 0.331 0.000 0.853 479 P CB 0.143 31.995 31.700 0.254 0.000 0.788 480 E N 0.557 120.956 120.200 0.331 0.000 2.070 480 E HA -0.259 4.092 4.350 0.002 0.000 0.197 480 E C 1.684 178.466 176.600 0.304 0.000 1.004 480 E CA 1.526 58.082 56.400 0.260 0.000 0.805 480 E CB -0.203 29.593 29.700 0.159 0.000 0.744 480 E HN 0.166 nan 8.360 nan 0.000 0.451 481 K N -0.432 120.159 120.400 0.319 0.000 2.097 481 K HA -0.067 4.254 4.320 0.002 0.000 0.205 481 K C 2.157 179.127 176.600 0.618 0.000 1.050 481 K CA 0.996 57.507 56.287 0.373 0.000 0.938 481 K CB -0.229 32.423 32.500 0.254 0.000 0.718 481 K HN 0.237 nan 8.250 nan 0.000 0.442 482 G N 0.821 110.010 108.800 0.648 0.000 2.408 482 G HA2 -0.264 3.697 3.960 0.002 0.000 0.217 482 G HA3 -0.264 3.697 3.960 0.002 0.000 0.217 482 G C 1.332 176.674 174.900 0.737 0.000 1.150 482 G CA 0.359 45.861 45.100 0.670 0.000 0.776 482 G HN 0.241 nan 8.290 nan 0.000 0.542 483 F N 2.076 122.185 119.950 0.266 0.000 2.095 483 F HA -0.092 4.437 4.527 0.002 0.000 0.298 483 F C 2.235 178.002 175.800 -0.055 0.000 1.104 483 F CA 1.992 59.810 58.000 -0.303 0.000 1.232 483 F CB -0.089 38.419 39.000 -0.821 0.000 0.987 483 F HN 0.083 nan 8.300 nan 0.000 0.475 484 D N -0.098 120.417 120.400 0.191 0.000 2.149 484 D HA -0.231 4.411 4.640 0.002 0.000 0.198 484 D C 2.030 178.392 176.300 0.104 0.000 0.990 484 D CA 1.452 55.530 54.000 0.129 0.000 0.839 484 D CB -0.758 40.185 40.800 0.240 0.000 0.948 484 D HN 0.392 nan 8.370 nan 0.000 0.460 485 F N 1.199 121.216 119.950 0.112 0.000 2.134 485 F HA -0.104 4.424 4.527 0.002 0.000 0.299 485 F C 2.013 177.720 175.800 -0.156 0.000 1.097 485 F CA 1.110 59.133 58.000 0.039 0.000 1.264 485 F CB -0.317 38.834 39.000 0.252 0.000 1.001 485 F HN -0.105 nan 8.300 nan 0.000 0.479 486 L N 0.232 121.285 121.223 -0.284 0.000 2.056 486 L HA -0.207 4.134 4.340 0.002 0.000 0.207 486 L C 2.565 179.149 176.870 -0.477 0.000 1.078 486 L CA 1.722 56.283 54.840 -0.465 0.000 0.749 486 L CB -0.796 41.044 42.059 -0.365 0.000 0.901 486 L HN 0.117 nan 8.230 nan 0.000 0.433 487 K N 0.497 120.593 120.400 -0.507 0.000 2.103 487 K HA -0.193 4.128 4.320 0.002 0.000 0.207 487 K C 2.045 178.499 176.600 -0.244 0.000 1.048 487 K CA 1.400 57.445 56.287 -0.404 0.000 0.930 487 K CB -0.070 32.181 32.500 -0.416 0.000 0.716 487 K HN 0.287 nan 8.250 nan 0.000 0.444 488 A N 0.658 123.345 122.820 -0.223 0.000 2.066 488 A HA -0.062 4.259 4.320 0.002 0.000 0.218 488 A C 1.478 178.941 177.584 -0.202 0.000 1.157 488 A CA 1.273 53.237 52.037 -0.122 0.000 0.670 488 A CB -0.136 18.890 19.000 0.043 0.000 0.804 488 A HN 0.366 nan 8.150 nan 0.000 0.453 489 N N -1.344 117.123 118.700 -0.390 0.000 2.210 489 N HA 0.171 4.912 4.740 0.002 0.000 0.203 489 N C -1.032 174.320 175.510 -0.263 0.000 1.175 489 N CA 0.121 52.944 53.050 -0.378 0.000 0.894 489 N CB 0.703 38.778 38.487 -0.686 0.000 1.041 489 N HN 0.212 nan 8.380 nan 0.000 0.506 490 L N 1.928 123.004 121.223 -0.245 0.000 2.298 490 L HA 0.278 4.619 4.340 0.002 0.000 0.284 490 L C -0.399 176.397 176.870 -0.124 0.000 1.013 490 L CA -0.424 54.315 54.840 -0.170 0.000 0.824 490 L CB 1.420 43.372 42.059 -0.178 0.000 1.221 490 L HN -0.213 nan 8.230 nan 0.000 0.418 491 D N 5.393 125.744 120.400 -0.081 0.000 2.508 491 D HA 0.379 5.020 4.640 0.002 0.000 0.224 491 D C -0.014 176.253 176.300 -0.056 0.000 1.171 491 D CA 0.373 54.344 54.000 -0.049 0.000 1.006 491 D CB 0.049 40.845 40.800 -0.006 0.000 1.073 491 D HN 0.435 nan 8.370 nan 0.000 0.513 492 I N -2.632 117.900 120.570 -0.064 0.000 3.191 492 I HA 0.522 4.693 4.170 0.002 0.000 0.313 492 I C 0.168 176.259 176.117 -0.044 0.000 1.193 492 I CA -1.236 60.030 61.300 -0.057 0.000 0.968 492 I CB 1.746 39.709 38.000 -0.063 0.000 1.262 492 I HN 0.001 nan 8.210 nan 0.000 0.456 493 S N 0.553 116.234 115.700 -0.032 0.000 2.576 493 S HA 0.048 4.519 4.470 0.002 0.000 0.272 493 S C 0.951 175.550 174.600 -0.002 0.000 1.352 493 S CA 0.454 58.645 58.200 -0.015 0.000 1.021 493 S CB 1.151 64.343 63.200 -0.013 0.000 0.887 493 S HN 0.948 nan 8.310 nan 0.000 0.542 494 E N 2.148 122.358 120.200 0.016 0.000 2.070 494 E HA -0.190 4.162 4.350 0.002 0.000 0.197 494 E C 1.991 178.634 176.600 0.073 0.000 1.004 494 E CA 1.597 58.027 56.400 0.050 0.000 0.805 494 E CB -1.049 28.684 29.700 0.055 0.000 0.744 494 E HN 0.909 nan 8.360 nan 0.000 0.451 495 G N 0.240 109.071 108.800 0.052 0.000 2.402 495 G HA2 -0.246 3.715 3.960 0.002 0.000 0.216 495 G HA3 -0.246 3.715 3.960 0.002 0.000 0.216 495 G C 1.589 176.539 174.900 0.083 0.000 1.162 495 G CA 0.375 45.513 45.100 0.064 0.000 0.777 495 G HN 0.172 nan 8.290 nan 0.000 0.539 496 Q N -0.098 119.728 119.800 0.043 0.000 2.119 496 Q HA 0.070 4.411 4.340 0.002 0.000 0.201 496 Q C 2.551 178.595 176.000 0.073 0.000 0.972 496 Q CA 0.517 56.350 55.803 0.051 0.000 0.847 496 Q CB -0.425 28.309 28.738 -0.007 0.000 0.903 496 Q HN 0.506 nan 8.270 nan 0.000 0.433 497 L N 0.575 121.817 121.223 0.031 0.000 2.012 497 L HA -0.286 4.055 4.340 0.002 0.000 0.210 497 L C 2.485 179.411 176.870 0.094 0.000 1.073 497 L CA 1.890 56.719 54.840 -0.017 0.000 0.748 497 L CB -0.208 41.801 42.059 -0.084 0.000 0.891 497 L HN 0.265 nan 8.230 nan 0.000 0.431 498 Q N -0.341 119.585 119.800 0.210 0.000 2.084 498 Q HA -0.281 4.061 4.340 0.002 0.000 0.202 498 Q C 1.953 178.086 176.000 0.222 0.000 0.978 498 Q CA 2.027 58.011 55.803 0.301 0.000 0.844 498 Q CB -0.636 28.239 28.738 0.228 0.000 0.898 498 Q HN 0.501 nan 8.270 nan 0.000 0.426 499 F N 0.889 120.859 119.950 0.034 0.000 2.095 499 F HA -0.178 4.350 4.527 0.002 0.000 0.298 499 F C 1.940 177.668 175.800 -0.121 0.000 1.104 499 F CA 1.841 59.823 58.000 -0.029 0.000 1.232 499 F CB -0.022 38.956 39.000 -0.037 0.000 0.987 499 F HN 0.135 nan 8.300 nan 0.000 0.475 500 E N -0.115 120.032 120.200 -0.089 0.000 2.077 500 E HA -0.239 4.112 4.350 0.002 0.000 0.193 500 E C 2.151 178.182 176.600 -0.949 0.000 0.989 500 E CA 1.310 57.399 56.400 -0.517 0.000 0.800 500 E CB -0.999 28.453 29.700 -0.413 0.000 0.746 500 E HN 0.477 nan 8.360 nan 0.000 0.452 501 F N 2.430 121.999 119.950 -0.636 0.000 2.043 501 F HA -0.257 4.271 4.527 0.002 0.000 0.297 501 F C 2.363 177.993 175.800 -0.283 0.000 1.121 501 F CA 2.099 59.827 58.000 -0.453 0.000 1.199 501 F CB -0.835 38.158 39.000 -0.012 0.000 0.968 501 F HN -0.074 nan 8.300 nan 0.000 0.478 502 T N 1.179 115.533 114.554 -0.333 0.000 2.720 502 T HA -0.251 4.100 4.350 0.002 0.000 0.268 502 T C 2.121 176.614 174.700 -0.345 0.000 1.037 502 T CA 1.702 63.573 62.100 -0.381 0.000 1.144 502 T CB -0.450 68.254 68.868 -0.274 0.000 0.864 502 T HN 0.323 nan 8.240 nan 0.000 0.444 503 R N -0.068 120.148 120.500 -0.473 0.000 2.083 503 R HA -0.155 4.186 4.340 0.002 0.000 0.237 503 R C 2.147 178.518 176.300 0.118 0.000 1.137 503 R CA 1.634 57.569 56.100 -0.274 0.000 0.951 503 R CB -0.430 29.650 30.300 -0.367 0.000 0.851 503 R HN 0.374 nan 8.270 nan 0.000 0.434 504 Y N 1.075 121.392 120.300 0.029 0.000 2.224 504 Y HA -0.132 4.419 4.550 0.002 0.000 0.289 504 Y C 2.284 178.395 175.900 0.352 0.000 1.146 504 Y CA 0.631 58.838 58.100 0.178 0.000 1.182 504 Y CB -0.812 37.681 38.460 0.055 0.000 0.983 504 Y HN 0.064 nan 8.280 nan 0.000 0.524 505 L N -1.070 120.343 121.223 0.315 0.000 2.046 505 L HA -0.129 4.212 4.340 0.002 0.000 0.208 505 L C 2.480 179.534 176.870 0.307 0.000 1.077 505 L CA 1.547 56.534 54.840 0.245 0.000 0.747 505 L CB -0.901 41.104 42.059 -0.090 0.000 0.896 505 L HN 0.288 nan 8.230 nan 0.000 0.432 506 G N -2.465 106.447 108.800 0.187 0.000 2.744 506 G HA2 -0.183 3.778 3.960 0.002 0.000 0.211 506 G HA3 -0.183 3.778 3.960 0.002 0.000 0.211 506 G C 0.258 175.327 174.900 0.282 0.000 1.146 506 G CA -0.289 44.912 45.100 0.169 0.000 0.787 506 G HN 0.291 nan 8.290 nan 0.000 0.534 507 W N 3.188 124.540 121.300 0.086 0.000 1.817 507 W HA 0.439 5.101 4.660 0.002 0.000 0.289 507 W C -2.371 174.168 176.519 0.033 0.000 0.841 507 W CA -3.500 53.887 57.345 0.071 0.000 2.216 507 W CB 0.623 30.113 29.460 0.049 0.000 2.396 507 W HN -0.053 nan 8.180 nan 0.000 0.421 508 P HA 0.210 nan 4.420 nan 0.000 0.269 508 P C 0.894 178.028 177.300 -0.278 0.000 1.209 508 P CA 1.584 64.580 63.100 -0.174 0.000 0.776 508 P CB 1.464 32.797 31.700 -0.612 0.000 0.876 509 G N 1.479 110.088 108.800 -0.318 0.000 2.258 509 G HA2 -0.271 3.690 3.960 0.002 0.000 0.233 509 G HA3 -0.271 3.690 3.960 0.002 0.000 0.233 509 G C 1.108 175.816 174.900 -0.320 0.000 1.006 509 G CA 0.304 45.177 45.100 -0.378 0.000 0.620 509 G HN 0.580 nan 8.290 nan 0.000 0.511 510 Q N 0.791 120.067 119.800 -0.874 0.000 2.163 510 Q HA 0.282 4.624 4.340 0.002 0.000 0.198 510 Q C 2.845 178.547 176.000 -0.496 0.000 0.954 510 Q CA 1.976 56.944 55.803 -1.393 0.000 0.851 510 Q CB -0.367 26.901 28.738 -2.451 0.000 0.928 510 Q HN 0.965 nan 8.270 nan 0.000 0.459 511 A N 1.471 124.144 122.820 -0.246 0.000 1.930 511 A HA -0.070 4.251 4.320 0.002 0.000 0.217 511 A C -0.695 176.916 177.584 0.044 0.000 1.175 511 A CA 1.010 52.975 52.037 -0.121 0.000 0.627 511 A CB -1.269 17.415 19.000 -0.527 0.000 0.815 511 A HN 0.368 nan 8.150 nan 0.000 0.443 512 P HA -0.034 nan 4.420 nan 0.000 0.241 512 P C 1.507 178.908 177.300 0.169 0.000 1.191 512 P CA 1.275 64.470 63.100 0.158 0.000 0.771 512 P CB -0.040 31.777 31.700 0.195 0.000 0.929 513 S N -1.808 113.926 115.700 0.057 0.000 2.419 513 S HA -0.232 4.239 4.470 0.002 0.000 0.233 513 S C 1.741 176.341 174.600 -0.000 0.000 1.016 513 S CA 0.952 59.135 58.200 -0.028 0.000 0.974 513 S CB -1.635 61.464 63.200 -0.168 0.000 0.786 513 S HN 0.163 nan 8.310 nan 0.000 0.492 514 Y N 1.856 122.210 120.300 0.090 0.000 2.092 514 Y HA 0.067 4.618 4.550 0.002 0.000 0.282 514 Y C 2.918 178.920 175.900 0.170 0.000 1.126 514 Y CA 1.205 59.388 58.100 0.138 0.000 1.111 514 Y CB -0.313 38.229 38.460 0.137 0.000 0.987 514 Y HN 0.085 nan 8.280 nan 0.000 0.489 515 K N 0.054 120.679 120.400 0.376 0.000 2.103 515 K HA -0.063 4.259 4.320 0.002 0.000 0.204 515 K C 2.055 178.890 176.600 0.392 0.000 1.052 515 K CA 0.939 57.456 56.287 0.382 0.000 0.945 515 K CB -0.596 32.133 32.500 0.381 0.000 0.722 515 K HN 0.206 nan 8.250 nan 0.000 0.443 516 V N 0.493 120.583 119.914 0.294 0.000 2.453 516 V HA -0.136 3.985 4.120 0.002 0.000 0.247 516 V C 2.419 178.565 176.094 0.087 0.000 1.048 516 V CA 2.014 64.389 62.300 0.124 0.000 1.049 516 V CB -0.921 30.966 31.823 0.106 0.000 0.672 516 V HN 0.361 nan 8.190 nan 0.000 0.457 517 G N -0.996 107.890 108.800 0.143 0.000 2.446 517 G HA2 -0.349 3.612 3.960 0.002 0.000 0.217 517 G HA3 -0.349 3.612 3.960 0.002 0.000 0.217 517 G C 1.519 176.616 174.900 0.328 0.000 1.168 517 G CA 1.050 46.266 45.100 0.192 0.000 0.771 517 G HN 0.513 nan 8.290 nan 0.000 0.551 518 Q N -0.006 119.978 119.800 0.307 0.000 2.077 518 Q HA -0.187 4.154 4.340 0.002 0.000 0.206 518 Q C 2.609 178.786 176.000 0.294 0.000 0.989 518 Q CA 1.663 57.660 55.803 0.323 0.000 0.853 518 Q CB -0.225 28.675 28.738 0.271 0.000 0.907 518 Q HN 0.512 nan 8.270 nan 0.000 0.418 519 R N -0.044 120.554 120.500 0.164 0.000 2.083 519 R HA -0.163 4.179 4.340 0.002 0.000 0.237 519 R C 2.346 178.646 176.300 0.001 0.000 1.137 519 R CA 1.608 57.700 56.100 -0.014 0.000 0.951 519 R CB -0.252 29.759 30.300 -0.481 0.000 0.851 519 R HN 0.351 nan 8.270 nan 0.000 0.434 520 L N -1.360 119.868 121.223 0.009 0.000 2.109 520 L HA -0.138 4.204 4.340 0.002 0.000 0.207 520 L C 2.227 179.122 176.870 0.042 0.000 1.086 520 L CA 1.003 55.828 54.840 -0.025 0.000 0.760 520 L CB -0.492 41.517 42.059 -0.083 0.000 0.910 520 L HN 0.305 nan 8.230 nan 0.000 0.437 521 W N 1.068 122.402 121.300 0.056 0.000 2.335 521 W HA -0.205 4.456 4.660 0.001 0.000 0.311 521 W C 2.591 179.198 176.519 0.147 0.000 1.213 521 W CA 1.366 58.764 57.345 0.088 0.000 1.274 521 W CB -0.091 29.400 29.460 0.052 0.000 1.148 521 W HN 0.118 nan 8.180 nan 0.000 0.498 522 E N -0.415 120.041 120.200 0.425 0.000 2.106 522 E HA -0.247 4.104 4.350 0.002 0.000 0.192 522 E C 2.056 178.752 176.600 0.160 0.000 0.984 522 E CA 1.192 57.794 56.400 0.336 0.000 0.806 522 E CB -0.304 29.565 29.700 0.282 0.000 0.750 522 E HN 0.453 nan 8.360 nan 0.000 0.458 523 Q N 0.321 120.175 119.800 0.090 0.000 2.084 523 Q HA -0.170 4.171 4.340 0.002 0.000 0.202 523 Q C 2.292 178.290 176.000 -0.003 0.000 0.978 523 Q CA 1.110 56.919 55.803 0.011 0.000 0.844 523 Q CB -0.108 28.610 28.738 -0.033 0.000 0.898 523 Q HN 0.361 nan 8.270 nan 0.000 0.426 524 I N 0.342 120.929 120.570 0.028 0.000 2.127 524 I HA -0.326 3.845 4.170 0.002 0.000 0.241 524 I C 2.692 178.776 176.117 -0.054 0.000 1.075 524 I CA 1.327 62.643 61.300 0.025 0.000 1.334 524 I CB -0.347 37.704 38.000 0.085 0.000 1.040 524 I HN 0.176 nan 8.210 nan 0.000 0.405 525 R N 1.274 121.736 120.500 -0.063 0.000 2.081 525 R HA -0.179 4.162 4.340 0.002 0.000 0.235 525 R C 2.373 178.444 176.300 -0.382 0.000 1.131 525 R CA 1.623 57.480 56.100 -0.403 0.000 0.960 525 R CB -0.275 29.942 30.300 -0.137 0.000 0.856 525 R HN 0.356 nan 8.270 nan 0.000 0.436 526 A N 0.871 123.579 122.820 -0.186 0.000 1.902 526 A HA -0.226 4.095 4.320 0.002 0.000 0.217 526 A C 2.011 179.472 177.584 -0.206 0.000 1.181 526 A CA 1.802 53.728 52.037 -0.185 0.000 0.623 526 A CB -0.617 18.334 19.000 -0.082 0.000 0.818 526 A HN 0.512 nan 8.150 nan 0.000 0.443 527 E N 0.395 120.504 120.200 -0.152 0.000 2.038 527 E HA -0.155 4.196 4.350 0.002 0.000 0.195 527 E C 1.808 178.312 176.600 -0.161 0.000 1.000 527 E CA 1.552 57.878 56.400 -0.123 0.000 0.803 527 E CB -0.541 29.116 29.700 -0.073 0.000 0.750 527 E HN 0.573 nan 8.360 nan 0.000 0.448 528 L N 0.340 121.440 121.223 -0.205 0.000 2.131 528 L HA -0.149 4.192 4.340 0.002 0.000 0.210 528 L C 2.474 179.125 176.870 -0.364 0.000 1.092 528 L CA 1.519 56.260 54.840 -0.166 0.000 0.759 528 L CB -0.395 41.627 42.059 -0.062 0.000 0.903 528 L HN 0.219 nan 8.230 nan 0.000 0.435 529 E N -0.255 119.491 120.200 -0.758 0.000 2.204 529 E HA -0.178 4.173 4.350 0.002 0.000 0.195 529 E C 2.214 178.614 176.600 -0.333 0.000 0.990 529 E CA 1.263 57.157 56.400 -0.842 0.000 0.821 529 E CB 0.028 29.270 29.700 -0.762 0.000 0.750 529 E HN 0.548 nan 8.360 nan 0.000 0.477 530 S N 0.502 116.071 115.700 -0.217 0.000 2.447 530 S HA -0.080 4.391 4.470 0.002 0.000 0.233 530 S C 0.937 175.500 174.600 -0.062 0.000 1.006 530 S CA 0.335 58.467 58.200 -0.114 0.000 0.957 530 S CB -0.108 63.041 63.200 -0.085 0.000 0.773 530 S HN 0.063 nan 8.310 nan 0.000 0.507 531 R N 2.051 122.525 120.500 -0.044 0.000 2.500 531 R HA 0.409 4.750 4.340 0.002 0.000 0.277 531 R C 0.119 176.449 176.300 0.050 0.000 1.026 531 R CA -0.625 55.482 56.100 0.012 0.000 1.058 531 R CB 0.604 30.925 30.300 0.035 0.000 1.078 531 R HN 0.558 nan 8.270 nan 0.000 0.509 532 E N 0.612 120.838 120.200 0.043 0.000 2.413 532 E HA 0.058 4.409 4.350 0.002 0.000 0.263 532 E C 0.428 177.070 176.600 0.071 0.000 1.015 532 E CA 0.506 56.935 56.400 0.049 0.000 0.916 532 E CB 0.408 30.126 29.700 0.030 0.000 0.947 532 E HN 0.738 nan 8.360 nan 0.000 0.440 533 G N 3.092 111.934 108.800 0.071 0.000 2.184 533 G HA2 -0.353 3.608 3.960 0.002 0.000 0.264 533 G HA3 -0.353 3.608 3.960 0.002 0.000 0.264 533 G C -0.022 174.923 174.900 0.075 0.000 0.975 533 G CA 0.099 45.232 45.100 0.055 0.000 0.642 533 G HN 0.655 nan 8.290 nan 0.000 0.536 534 F N 1.743 121.683 119.950 -0.016 0.000 2.629 534 F HA 0.434 4.961 4.527 0.000 0.000 0.377 534 F C 0.387 176.177 175.800 -0.017 0.000 1.101 534 F CA 0.382 58.368 58.000 -0.023 0.000 1.301 534 F CB 0.638 39.609 39.000 -0.049 0.000 1.062 534 F HN 0.185 nan 8.300 nan 0.000 0.583 535 D N 5.549 125.422 120.400 -0.879 0.000 2.686 535 D HA 0.199 4.840 4.640 0.002 0.000 0.249 535 D C 0.272 176.021 176.300 -0.919 0.000 1.260 535 D CA -0.616 53.002 54.000 -0.636 0.000 0.910 535 D CB 1.183 41.796 40.800 -0.311 0.000 1.323 535 D HN 0.506 nan 8.370 nan 0.000 0.561 536 L N 4.755 125.593 121.223 -0.642 0.000 2.056 536 L HA 0.062 4.403 4.340 0.002 0.000 0.207 536 L C 2.000 178.640 176.870 -0.383 0.000 1.078 536 L CA 1.809 56.387 54.840 -0.437 0.000 0.749 536 L CB -0.450 41.576 42.059 -0.055 0.000 0.901 536 L HN 0.525 nan 8.230 nan 0.000 0.433 537 K N -1.174 119.072 120.400 -0.256 0.000 2.103 537 K HA -0.150 4.171 4.320 0.002 0.000 0.207 537 K C 2.064 178.596 176.600 -0.113 0.000 1.048 537 K CA 1.615 57.803 56.287 -0.165 0.000 0.930 537 K CB -0.071 32.364 32.500 -0.110 0.000 0.716 537 K HN 0.370 nan 8.250 nan 0.000 0.444 538 S N 0.385 115.999 115.700 -0.143 0.000 2.383 538 S HA -0.120 4.351 4.470 0.002 0.000 0.227 538 S C 1.444 176.031 174.600 -0.023 0.000 1.026 538 S CA 1.051 59.201 58.200 -0.083 0.000 0.981 538 S CB -0.398 62.737 63.200 -0.107 0.000 0.818 538 S HN 0.409 nan 8.310 nan 0.000 0.472 539 F N 2.447 122.267 119.950 -0.217 0.000 2.095 539 F HA -0.206 4.323 4.527 0.003 0.000 0.298 539 F C 2.039 177.896 175.800 0.095 0.000 1.104 539 F CA 1.847 59.810 58.000 -0.061 0.000 1.232 539 F CB -0.939 38.022 39.000 -0.065 0.000 0.987 539 F HN 0.336 nan 8.300 nan 0.000 0.475 540 H N -1.129 117.780 119.070 -0.268 0.000 2.353 540 H HA -0.124 4.434 4.556 0.003 0.000 0.300 540 H C 2.504 177.717 175.328 -0.191 0.000 1.090 540 H CA 1.088 56.951 56.048 -0.308 0.000 1.327 540 H CB -0.218 29.431 29.762 -0.187 0.000 1.383 540 H HN 0.251 nan 8.280 nan 0.000 0.508 541 S N 0.369 116.088 115.700 0.033 0.000 2.348 541 S HA -0.174 4.297 4.470 0.002 0.000 0.221 541 S C 1.988 176.578 174.600 -0.015 0.000 1.033 541 S CA 1.158 59.368 58.200 0.016 0.000 1.010 541 S CB -0.128 63.085 63.200 0.022 0.000 0.891 541 S HN 0.340 nan 8.310 nan 0.000 0.442 542 K N 1.106 121.495 120.400 -0.019 0.000 2.063 542 K HA -0.117 4.204 4.320 0.002 0.000 0.208 542 K C 2.181 178.769 176.600 -0.019 0.000 1.048 542 K CA 1.268 57.554 56.287 -0.002 0.000 0.928 542 K CB -0.316 32.205 32.500 0.035 0.000 0.713 542 K HN 0.310 nan 8.250 nan 0.000 0.442 543 A N 1.161 123.930 122.820 -0.086 0.000 1.855 543 A HA -0.086 4.236 4.320 0.002 0.000 0.215 543 A C 2.094 179.679 177.584 0.003 0.000 1.191 543 A CA 1.141 53.150 52.037 -0.047 0.000 0.613 543 A CB -0.603 18.342 19.000 -0.093 0.000 0.829 543 A HN 0.298 nan 8.150 nan 0.000 0.442 544 L N -0.145 121.017 121.223 -0.101 0.000 2.201 544 L HA -0.164 4.177 4.340 0.002 0.000 0.212 544 L C 1.985 178.828 176.870 -0.045 0.000 1.105 544 L CA 0.911 55.662 54.840 -0.148 0.000 0.775 544 L CB -0.713 41.166 42.059 -0.300 0.000 0.913 544 L HN 0.352 nan 8.230 nan 0.000 0.440 545 N N 0.545 119.235 118.700 -0.016 0.000 2.289 545 N HA -0.136 4.605 4.740 0.002 0.000 0.184 545 N C 1.787 177.310 175.510 0.023 0.000 1.016 545 N CA 1.179 54.240 53.050 0.019 0.000 0.872 545 N CB -0.186 38.318 38.487 0.028 0.000 0.973 545 N HN 0.361 nan 8.380 nan 0.000 0.433 546 I N -0.076 120.505 120.570 0.017 0.000 2.546 546 I HA -0.057 4.114 4.170 0.002 0.000 0.255 546 I C 1.376 177.485 176.117 -0.014 0.000 1.163 546 I CA 0.518 61.823 61.300 0.009 0.000 1.457 546 I CB -0.568 37.436 38.000 0.007 0.000 1.092 546 I HN 0.172 nan 8.210 nan 0.000 0.434 547 G N 0.330 109.122 108.800 -0.014 0.000 2.681 547 G HA2 -0.266 3.695 3.960 0.002 0.000 0.220 547 G HA3 -0.266 3.695 3.960 0.002 0.000 0.220 547 G C -0.083 174.639 174.900 -0.298 0.000 1.353 547 G CA -0.228 44.835 45.100 -0.062 0.000 0.872 547 G HN 0.200 nan 8.290 nan 0.000 0.557 548 S N -0.054 115.430 115.700 -0.361 0.000 2.430 548 S HA 0.542 5.013 4.470 0.002 0.000 0.282 548 S C 0.453 174.740 174.600 -0.523 0.000 1.186 548 S CA 0.413 58.182 58.200 -0.719 0.000 1.060 548 S CB -0.481 62.539 63.200 -0.300 0.000 0.966 548 S HN 2.054 nan 8.310 nan 0.000 0.501 549 V N 2.559 122.114 119.914 -0.599 0.000 3.181 549 V HA 0.949 5.070 4.120 0.002 0.000 0.308 549 V C 0.468 176.455 176.094 -0.179 0.000 1.214 549 V CA -0.833 61.315 62.300 -0.254 0.000 1.053 549 V CB 0.984 32.726 31.823 -0.135 0.000 1.069 549 V HN 0.773 nan 8.190 nan 0.000 0.441 550 G N 0.585 109.325 108.800 -0.100 0.000 2.554 550 G HA2 0.359 4.320 3.960 0.002 0.000 0.238 550 G HA3 0.359 4.320 3.960 0.002 0.000 0.238 550 G C 0.583 175.430 174.900 -0.087 0.000 1.259 550 G CA -0.472 44.578 45.100 -0.083 0.000 0.843 550 G HN 0.829 nan 8.290 nan 0.000 0.582 551 L N 1.185 122.348 121.223 -0.100 0.000 2.127 551 L HA -0.087 4.254 4.340 0.002 0.000 0.211 551 L C 2.341 179.131 176.870 -0.133 0.000 1.089 551 L CA 1.623 56.369 54.840 -0.157 0.000 0.757 551 L CB -0.745 41.219 42.059 -0.159 0.000 0.899 551 L HN 0.500 nan 8.230 nan 0.000 0.434 552 D N -0.466 119.881 120.400 -0.090 0.000 2.123 552 D HA -0.142 4.500 4.640 0.002 0.000 0.196 552 D C 2.350 178.611 176.300 -0.065 0.000 0.992 552 D CA 0.906 54.864 54.000 -0.070 0.000 0.833 552 D CB -0.014 40.756 40.800 -0.050 0.000 0.954 552 D HN 0.133 nan 8.370 nan 0.000 0.455 553 V N 0.889 120.766 119.914 -0.062 0.000 2.358 553 V HA -0.183 3.938 4.120 0.002 0.000 0.246 553 V C 2.467 178.525 176.094 -0.060 0.000 1.047 553 V CA 0.946 63.218 62.300 -0.047 0.000 1.035 553 V CB -0.418 31.387 31.823 -0.029 0.000 0.658 553 V HN 0.123 nan 8.190 nan 0.000 0.452 554 L N 0.383 121.548 121.223 -0.097 0.000 2.046 554 L HA -0.149 4.192 4.340 0.002 0.000 0.208 554 L C 2.607 179.412 176.870 -0.108 0.000 1.077 554 L CA 2.002 56.765 54.840 -0.128 0.000 0.747 554 L CB -0.713 41.199 42.059 -0.246 0.000 0.896 554 L HN 0.181 nan 8.230 nan 0.000 0.432 555 R N -0.075 120.358 120.500 -0.113 0.000 2.081 555 R HA -0.150 4.191 4.340 0.002 0.000 0.235 555 R C 2.349 178.629 176.300 -0.033 0.000 1.131 555 R CA 1.717 57.774 56.100 -0.071 0.000 0.960 555 R CB -0.292 29.960 30.300 -0.079 0.000 0.856 555 R HN 0.409 nan 8.270 nan 0.000 0.436 556 R N -0.208 120.270 120.500 -0.035 0.000 2.148 556 R HA -0.012 4.329 4.340 0.002 0.000 0.227 556 R C 2.218 178.513 176.300 -0.008 0.000 1.103 556 R CA 1.051 57.140 56.100 -0.019 0.000 0.983 556 R CB -0.198 30.089 30.300 -0.022 0.000 0.874 556 R HN 0.253 nan 8.270 nan 0.000 0.451 557 A N 0.669 123.482 122.820 -0.011 0.000 2.015 557 A HA -0.048 4.273 4.320 0.002 0.000 0.219 557 A C 1.926 179.524 177.584 0.024 0.000 1.163 557 A CA 1.013 53.052 52.037 0.003 0.000 0.646 557 A CB -0.079 18.919 19.000 -0.003 0.000 0.806 557 A HN 0.180 nan 8.150 nan 0.000 0.448 558 L N -1.720 119.524 121.223 0.034 0.000 2.537 558 L HA 0.225 4.566 4.340 0.002 0.000 0.224 558 L C 0.301 177.219 176.870 0.081 0.000 1.065 558 L CA -0.265 54.626 54.840 0.084 0.000 0.860 558 L CB -0.057 42.086 42.059 0.140 0.000 1.086 558 L HN 0.198 nan 8.230 nan 0.000 0.482 559 L N 0.000 121.250 121.223 0.045 0.000 2.949 559 L HA 0.000 4.341 4.340 0.002 0.000 0.249 559 L CA 0.000 54.859 54.840 0.032 0.000 0.813 559 L CB 0.000 42.066 42.059 0.011 0.000 0.961 559 L HN 0.000 nan 8.230 nan 0.000 0.502