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 1wz2_1_A DATA FIRST_RESID 4 DATA SEQUENCE LNFKAIEEKW QKRWLEAKIF EPNIRDKPKE KKFYITVAFP YLSGHLHVGH DATA SEQUENCE ARTYTIPDVI ARFKRMQGYN VLFPMAWHIT GSPIVGIAER IKNRDPKTIW DATA SEQUENCE IYRDVYKVPE EILWTFEDPI NIVKYFMKAA KETFIRAGFS VDWSREFYTT DATA SEQUENCE SLFPPFSKFI EWQFWKLKEK GYIVKGAHRV RWDPVVGTPL GDHDLMEGED DATA SEQUENCE VPILDYIIIK FELRENGEVI YLPAATLRPE TVYGVTNMWV NPNATYVKAK DATA SEQUENCE VRRKDKEETW IVSKEAAYKL SFQDREIEVI EEFKGEKLIG KYVRNPVSGD DATA SEQUENCE EVIILPAEFV DPDNATGVVM SVPAHAPFDH VALEDLKRET EILEKYDIDP DATA SEQUENCE RIVXXXXXXX XXXXXXXXXF PAVEEVNKLG IKSQKDKEKL EQATKTIYKA DATA SEQUENCE EYHKGIFKVP PYEGKPVQEV KEAIAKEMLE KGIAEIMYEF AEKNVISRFG DATA SEQUENCE NRAVIKIIHD QWFIDYGNPE WKEKARKALE RMKILPETRR AQFEAIIDWL DATA SEQUENCE DKKACARKIG LGTPLPWDPE WVIESLSDST IYMAYYTISR HINKLRQEGK DATA SEQUENCE LDPEKLTPEF FDYIFLEEFS EDKEKELEKK TGIPAEIIHE MKEEFEYWYP DATA SEQUENCE LDWRCSGKDL IPNHLTFFIF NHVAIFREEH WPKGIAVNGF GTLEGQKMSK DATA SEQUENCE SKGNVLNFID AIEENGADVV RLYIMSLAEH DSDFDWRRKE VGKLRKQIER DATA SEQUENCE FYELISQFAE YEVKGNVELK DIDRWMLHRL NKAIKETTNA LEEFRTRTAV DATA SEQUENCE QWAFYSIMND LRWYLRRTEG RDDEAKRYVL RTLADVWVRL MAPFTPHICE DATA SEQUENCE ELWEKLGGEG FVSLAKWPEP VEEWWNETIE AEEEFIRSVM EDIKEIIEVA DATA SEQUENCE KIENAKRAYI YTAEDWKWKV AEVVSEKRDF KSSMEELMKD SEIRKHGKEV DATA SEQUENCE AKIVQKLIKE RTFDVKRINE EKALREAKEF MEKELGIEII INPTEDKGGK DATA SEQUENCE KKQAMPLKPA IFIE 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.494 176.870 -0.627 0.000 1.165 4 L CA 0.000 54.545 54.840 -0.492 0.000 0.813 4 L CB 0.000 41.942 42.059 -0.196 0.000 0.961 5 N N -1.196 116.853 118.700 -1.085 0.000 2.994 5 N HA 0.120 4.894 4.740 0.058 0.000 0.287 5 N C 0.652 175.830 175.510 -0.552 0.000 0.846 5 N CA 0.870 53.539 53.050 -0.635 0.000 1.256 5 N CB 0.342 38.620 38.487 -0.348 0.000 1.330 5 N HN -0.030 nan 8.380 nan 0.000 1.205 6 F N 0.281 120.174 119.950 -0.095 0.000 2.732 6 F HA -0.312 4.228 4.527 0.021 0.000 0.443 6 F C 1.467 177.250 175.800 -0.028 0.000 0.572 6 F CA 1.199 59.158 58.000 -0.069 0.000 1.050 6 F CB -1.692 37.267 39.000 -0.068 0.000 1.665 6 F HN 0.233 nan 8.300 nan 0.000 0.278 7 K N 0.839 121.281 120.400 0.069 0.000 2.074 7 K HA -0.093 4.262 4.320 0.058 0.000 0.209 7 K C 2.186 178.790 176.600 0.006 0.000 1.048 7 K CA 1.692 58.000 56.287 0.035 0.000 0.926 7 K CB -0.366 32.131 32.500 -0.004 0.000 0.713 7 K HN 0.454 nan 8.250 nan 0.000 0.444 8 A N 0.713 123.529 122.820 -0.006 0.000 1.969 8 A HA -0.079 4.276 4.320 0.058 0.000 0.218 8 A C 2.016 179.579 177.584 -0.036 0.000 1.169 8 A CA 1.199 53.217 52.037 -0.032 0.000 0.635 8 A CB -0.388 18.590 19.000 -0.037 0.000 0.810 8 A HN 0.314 nan 8.150 nan 0.000 0.445 9 I N -0.681 119.914 120.570 0.042 0.000 2.233 9 I HA -0.204 4.001 4.170 0.058 0.000 0.243 9 I C 2.420 178.589 176.117 0.087 0.000 1.093 9 I CA 1.205 62.565 61.300 0.100 0.000 1.380 9 I CB -0.591 37.593 38.000 0.306 0.000 1.067 9 I HN 0.409 nan 8.210 nan 0.000 0.413 10 E N 0.940 121.166 120.200 0.043 0.000 2.055 10 E HA -0.358 4.027 4.350 0.058 0.000 0.209 10 E C 2.065 178.521 176.600 -0.238 0.000 1.036 10 E CA 2.158 58.429 56.400 -0.215 0.000 0.849 10 E CB -0.311 29.302 29.700 -0.145 0.000 0.767 10 E HN 0.464 nan 8.360 nan 0.000 0.461 11 E N 1.117 121.230 120.200 -0.146 0.000 2.097 11 E HA -0.292 4.092 4.350 0.058 0.000 0.196 11 E C 2.134 178.618 176.600 -0.194 0.000 1.000 11 E CA 1.492 57.810 56.400 -0.136 0.000 0.804 11 E CB -0.061 29.579 29.700 -0.101 0.000 0.740 11 E HN 0.090 nan 8.360 nan 0.000 0.454 12 K N -0.343 119.893 120.400 -0.272 0.000 2.113 12 K HA -0.195 4.159 4.320 0.058 0.000 0.208 12 K C 1.636 177.859 176.600 -0.629 0.000 1.047 12 K CA 2.030 58.030 56.287 -0.477 0.000 0.928 12 K CB -0.265 31.847 32.500 -0.647 0.000 0.716 12 K HN 0.274 nan 8.250 nan 0.000 0.446 13 W N 0.827 121.912 121.300 -0.358 0.000 2.576 13 W HA 0.055 4.741 4.660 0.044 0.000 0.275 13 W C 2.295 178.382 176.519 -0.721 0.000 1.241 13 W CA 0.022 56.962 57.345 -0.675 0.000 1.328 13 W CB 0.094 28.965 29.460 -0.980 0.000 1.092 13 W HN 0.117 nan 8.180 nan 0.000 0.586 14 Q N 1.068 120.777 119.800 -0.150 0.000 2.135 14 Q HA -0.189 4.186 4.340 0.058 0.000 0.204 14 Q C 1.828 177.902 176.000 0.122 0.000 0.981 14 Q CA 1.505 57.408 55.803 0.167 0.000 0.856 14 Q CB -0.394 28.433 28.738 0.148 0.000 0.902 14 Q HN 0.360 nan 8.270 nan 0.000 0.425 15 K N 0.284 120.677 120.400 -0.012 0.000 2.057 15 K HA -0.045 4.310 4.320 0.058 0.000 0.206 15 K C 2.232 178.845 176.600 0.023 0.000 1.050 15 K CA 0.573 56.855 56.287 -0.008 0.000 0.935 15 K CB -0.049 32.407 32.500 -0.074 0.000 0.715 15 K HN 0.055 nan 8.250 nan 0.000 0.439 16 R N 0.563 121.050 120.500 -0.021 0.000 2.070 16 R HA -0.126 4.249 4.340 0.058 0.000 0.232 16 R C 2.142 178.577 176.300 0.224 0.000 1.138 16 R CA 1.449 57.619 56.100 0.116 0.000 0.936 16 R CB -0.496 29.911 30.300 0.179 0.000 0.839 16 R HN 0.364 nan 8.270 nan 0.000 0.429 17 W N 1.337 122.666 121.300 0.048 0.000 2.315 17 W HA -0.178 4.536 4.660 0.090 0.000 0.323 17 W C 2.376 178.763 176.519 -0.220 0.000 1.233 17 W CA 0.633 57.730 57.345 -0.413 0.000 1.267 17 W CB -1.347 27.834 29.460 -0.466 0.000 1.160 17 W HN 0.110 nan 8.180 nan 0.000 0.474 18 L N 0.180 121.536 121.223 0.222 0.000 1.965 18 L HA -0.315 4.059 4.340 0.058 0.000 0.226 18 L C 2.476 179.423 176.870 0.130 0.000 1.083 18 L CA 2.090 57.041 54.840 0.183 0.000 0.790 18 L CB -0.968 41.191 42.059 0.166 0.000 0.898 18 L HN 0.010 nan 8.230 nan 0.000 0.439 19 E N -0.756 119.512 120.200 0.113 0.000 2.171 19 E HA -0.263 4.122 4.350 0.058 0.000 0.197 19 E C 2.040 178.712 176.600 0.121 0.000 0.997 19 E CA 1.093 57.553 56.400 0.100 0.000 0.810 19 E CB -0.197 29.553 29.700 0.083 0.000 0.738 19 E HN 0.581 nan 8.360 nan 0.000 0.467 20 A N 0.945 123.860 122.820 0.158 0.000 2.121 20 A HA -0.139 4.216 4.320 0.058 0.000 0.218 20 A C 0.784 178.438 177.584 0.116 0.000 1.154 20 A CA 0.655 52.806 52.037 0.190 0.000 0.679 20 A CB -0.213 18.980 19.000 0.322 0.000 0.795 20 A HN 0.170 nan 8.150 nan 0.000 0.458 21 K N -2.169 118.281 120.400 0.083 0.000 3.148 21 K HA -0.208 4.147 4.320 0.058 0.000 0.267 21 K C 0.410 177.050 176.600 0.065 0.000 0.996 21 K CA 0.585 56.924 56.287 0.087 0.000 0.737 21 K CB -1.422 31.136 32.500 0.096 0.000 1.308 21 K HN 0.492 nan 8.250 nan 0.000 0.470 22 I N -0.249 120.294 120.570 -0.045 0.000 2.716 22 I HA -0.088 4.117 4.170 0.058 0.000 0.259 22 I C 0.916 177.121 176.117 0.147 0.000 1.172 22 I CA 0.997 62.251 61.300 -0.075 0.000 1.478 22 I CB 0.188 37.929 38.000 -0.433 0.000 1.104 22 I HN 0.210 nan 8.210 nan 0.000 0.439 23 F N 1.491 121.421 119.950 -0.033 0.000 2.730 23 F HA 0.340 4.902 4.527 0.059 0.000 0.295 23 F C 0.408 176.174 175.800 -0.058 0.000 1.143 23 F CA -0.611 57.348 58.000 -0.069 0.000 1.367 23 F CB -0.703 38.226 39.000 -0.118 0.000 0.970 23 F HN 0.069 nan 8.300 nan 0.000 0.514 24 E N 2.807 123.105 120.200 0.162 0.000 2.683 24 E HA 0.204 4.588 4.350 0.058 0.000 0.224 24 E C -2.416 174.238 176.600 0.090 0.000 1.046 24 E CA -1.715 54.732 56.400 0.079 0.000 0.811 24 E CB 1.051 30.801 29.700 0.083 0.000 1.296 24 E HN 0.070 nan 8.360 nan 0.000 0.421 25 P HA -0.070 nan 4.420 nan 0.000 0.267 25 P C -0.368 177.043 177.300 0.185 0.000 1.195 25 P CA 0.100 63.306 63.100 0.177 0.000 0.773 25 P CB 0.886 32.735 31.700 0.249 0.000 0.837 26 N N 1.345 120.147 118.700 0.170 0.000 2.354 26 N HA 0.159 4.934 4.740 0.058 0.000 0.287 26 N C 1.389 176.884 175.510 -0.025 0.000 1.016 26 N CA -0.508 52.590 53.050 0.079 0.000 0.871 26 N CB 1.823 40.339 38.487 0.049 0.000 1.299 26 N HN 0.416 nan 8.380 nan 0.000 0.482 27 I N 0.639 121.074 120.570 -0.225 0.000 2.179 27 I HA -0.213 3.992 4.170 0.058 0.000 0.242 27 I C 1.642 177.479 176.117 -0.467 0.000 1.088 27 I CA 1.153 61.968 61.300 -0.808 0.000 1.357 27 I CB -0.083 37.125 38.000 -1.320 0.000 1.051 27 I HN 0.229 nan 8.210 nan 0.000 0.409 28 R N 1.463 121.825 120.500 -0.230 0.000 2.159 28 R HA -0.168 4.206 4.340 0.058 0.000 0.237 28 R C 1.742 178.022 176.300 -0.033 0.000 1.131 28 R CA 1.757 57.799 56.100 -0.097 0.000 0.982 28 R CB -0.948 29.320 30.300 -0.053 0.000 0.868 28 R HN 0.451 nan 8.270 nan 0.000 0.453 29 D N -0.049 120.340 120.400 -0.018 0.000 2.191 29 D HA -0.141 4.534 4.640 0.058 0.000 0.195 29 D C 0.040 176.369 176.300 0.048 0.000 1.003 29 D CA 1.648 55.668 54.000 0.034 0.000 0.867 29 D CB 0.191 41.032 40.800 0.068 0.000 0.926 29 D HN 0.195 nan 8.370 nan 0.000 0.450 30 K N -1.869 118.567 120.400 0.060 0.000 2.548 30 K HA 0.418 4.773 4.320 0.058 0.000 0.282 30 K C -2.761 173.912 176.600 0.121 0.000 1.006 30 K CA -1.666 54.667 56.287 0.077 0.000 0.892 30 K CB 2.169 34.717 32.500 0.081 0.000 1.499 30 K HN -0.273 nan 8.250 nan 0.000 0.433 31 P HA 0.083 nan 4.420 nan 0.000 0.274 31 P C 0.009 177.278 177.300 -0.052 0.000 1.256 31 P CA -0.376 62.745 63.100 0.035 0.000 0.795 31 P CB 0.650 32.341 31.700 -0.016 0.000 1.038 32 K N 1.360 121.640 120.400 -0.200 0.000 2.097 32 K HA -0.138 4.217 4.320 0.058 0.000 0.205 32 K C 1.437 177.841 176.600 -0.328 0.000 1.050 32 K CA 1.159 57.129 56.287 -0.530 0.000 0.938 32 K CB -0.070 32.148 32.500 -0.469 0.000 0.718 32 K HN 0.482 nan 8.250 nan 0.000 0.442 33 E N 0.631 120.724 120.200 -0.179 0.000 2.533 33 E HA -0.152 4.232 4.350 0.058 0.000 0.201 33 E C 0.670 177.202 176.600 -0.113 0.000 1.097 33 E CA 0.725 57.056 56.400 -0.116 0.000 0.887 33 E CB 0.219 29.865 29.700 -0.090 0.000 0.855 33 E HN 0.191 nan 8.360 nan 0.000 0.540 34 K N 1.035 121.361 120.400 -0.123 0.000 2.365 34 K HA 0.048 4.402 4.320 0.058 0.000 0.195 34 K C 0.793 177.448 176.600 0.092 0.000 1.079 34 K CA 0.203 56.408 56.287 -0.137 0.000 0.979 34 K CB 0.250 32.688 32.500 -0.103 0.000 0.929 34 K HN 0.156 nan 8.250 nan 0.000 0.523 35 K N 0.752 121.189 120.400 0.063 0.000 2.455 35 K HA -0.064 4.290 4.320 0.058 0.000 0.269 35 K C -0.316 176.624 176.600 0.566 0.000 0.972 35 K CA 0.431 56.857 56.287 0.232 0.000 0.938 35 K CB 0.066 32.414 32.500 -0.253 0.000 0.931 35 K HN -0.024 nan 8.250 nan 0.000 0.507 36 F N 2.863 123.157 119.950 0.572 0.000 2.883 36 F HA 0.198 4.760 4.527 0.058 0.000 0.383 36 F C -1.562 174.507 175.800 0.448 0.000 1.342 36 F CA -0.762 57.492 58.000 0.422 0.000 1.150 36 F CB 0.283 39.441 39.000 0.264 0.000 2.189 36 F HN 0.642 nan 8.300 nan 0.000 0.593 37 Y N 4.091 124.514 120.300 0.204 0.000 2.597 37 Y HA 0.448 5.033 4.550 0.058 0.000 0.336 37 Y C -0.535 175.215 175.900 -0.250 0.000 1.216 37 Y CA -0.342 57.776 58.100 0.030 0.000 1.463 37 Y CB 0.900 39.489 38.460 0.215 0.000 1.303 37 Y HN 0.468 nan 8.280 nan 0.000 0.576 38 I N 5.485 126.178 120.570 0.205 0.000 2.731 38 I HA 0.332 4.537 4.170 0.058 0.000 0.289 38 I C -1.332 174.813 176.117 0.047 0.000 1.399 38 I CA 0.042 61.281 61.300 -0.102 0.000 1.048 38 I CB 1.950 39.785 38.000 -0.274 0.000 1.345 38 I HN 0.618 nan 8.210 nan 0.000 0.425 39 T N 3.800 118.341 114.554 -0.022 0.000 2.838 39 T HA 0.890 5.274 4.350 0.058 0.000 0.292 39 T C -1.329 173.398 174.700 0.045 0.000 1.113 39 T CA -0.643 61.526 62.100 0.114 0.000 1.008 39 T CB 1.572 70.513 68.868 0.123 0.000 1.259 39 T HN 1.261 nan 8.240 nan 0.000 0.520 40 V N -0.238 119.765 119.914 0.149 0.000 3.087 40 V HA 0.794 4.948 4.120 0.058 0.000 0.306 40 V C -0.454 175.749 176.094 0.183 0.000 1.187 40 V CA -0.688 61.666 62.300 0.090 0.000 0.999 40 V CB 1.732 33.591 31.823 0.060 0.000 1.049 40 V HN 1.578 nan 8.190 nan 0.000 0.431 41 A N 5.710 128.606 122.820 0.126 0.000 2.515 41 A HA 0.451 4.806 4.320 0.058 0.000 0.263 41 A C 0.002 177.877 177.584 0.485 0.000 1.096 41 A CA -0.030 52.124 52.037 0.194 0.000 0.769 41 A CB -0.702 18.357 19.000 0.099 0.000 1.040 41 A HN 1.400 nan 8.150 nan 0.000 0.505 42 F N 3.567 123.729 119.950 0.353 0.000 2.602 42 F HA 0.389 4.950 4.527 0.057 0.000 0.385 42 F C -1.781 174.236 175.800 0.362 0.000 1.063 42 F CA -3.585 54.591 58.000 0.294 0.000 1.233 42 F CB -1.162 37.831 39.000 -0.011 0.000 1.067 42 F HN 0.392 nan 8.300 nan 0.000 0.564 43 P HA -0.043 nan 4.420 nan 0.000 0.271 43 P C -1.300 176.212 177.300 0.353 0.000 1.238 43 P CA 0.009 63.384 63.100 0.459 0.000 0.794 43 P CB 0.516 32.436 31.700 0.366 0.000 0.959 44 Y N 1.435 121.796 120.300 0.103 0.000 2.504 44 Y HA 0.281 4.866 4.550 0.058 0.000 0.339 44 Y C 0.260 176.106 175.900 -0.090 0.000 0.974 44 Y CA -0.821 57.282 58.100 0.006 0.000 1.232 44 Y CB -0.476 37.980 38.460 -0.006 0.000 1.108 44 Y HN 0.101 nan 8.280 nan 0.000 0.509 45 L N 5.786 126.771 121.223 -0.397 0.000 2.827 45 L HA -0.013 4.361 4.340 0.058 0.000 0.293 45 L C 1.020 177.520 176.870 -0.616 0.000 1.156 45 L CA 0.771 55.352 54.840 -0.432 0.000 1.145 45 L CB -0.451 41.420 42.059 -0.314 0.000 1.474 45 L HN 0.720 nan 8.230 nan 0.000 0.442 46 S N 0.721 116.041 115.700 -0.634 0.000 2.817 46 S HA 0.472 4.977 4.470 0.058 0.000 0.262 46 S C 0.318 174.317 174.600 -1.001 0.000 1.051 46 S CA 0.239 58.086 58.200 -0.587 0.000 1.185 46 S CB 0.583 63.599 63.200 -0.308 0.000 1.152 46 S HN 0.811 nan 8.310 nan 0.000 0.653 47 G N -0.081 107.755 108.800 -1.607 0.000 2.356 47 G HA2 0.340 4.334 3.960 0.058 0.000 0.281 47 G HA3 0.340 4.334 3.960 0.058 0.000 0.281 47 G C -1.964 171.883 174.900 -1.754 0.000 1.246 47 G CA -0.837 42.700 45.100 -2.605 0.000 0.889 47 G HN 0.380 nan 8.290 nan 0.000 0.486 48 H N -0.219 118.189 119.070 -1.104 0.000 2.489 48 H HA 0.540 5.131 4.556 0.059 0.000 0.322 48 H C 0.034 175.363 175.328 0.002 0.000 1.091 48 H CA -0.693 55.190 56.048 -0.275 0.000 1.291 48 H CB 1.421 31.225 29.762 0.070 0.000 1.436 48 H HN 0.272 nan 8.280 nan 0.000 0.480 49 L N 4.051 125.404 121.223 0.216 0.000 2.485 49 L HA 0.046 4.421 4.340 0.058 0.000 0.275 49 L C 0.716 177.820 176.870 0.390 0.000 1.207 49 L CA 0.220 55.267 54.840 0.344 0.000 0.855 49 L CB -0.243 42.080 42.059 0.440 0.000 1.114 49 L HN 0.747 nan 8.230 nan 0.000 0.485 50 H N 0.165 119.475 119.070 0.401 0.000 2.669 50 H HA 0.465 5.055 4.556 0.057 0.000 0.318 50 H C 1.160 176.507 175.328 0.033 0.000 1.429 50 H CA -0.764 55.362 56.048 0.130 0.000 1.460 50 H CB -0.265 29.482 29.762 -0.024 0.000 1.784 50 H HN 0.253 nan 8.280 nan 0.000 0.750 51 V N -2.003 118.034 119.914 0.205 0.000 2.380 51 V HA -0.157 3.998 4.120 0.058 0.000 0.251 51 V C 2.090 178.380 176.094 0.327 0.000 1.063 51 V CA 2.244 64.624 62.300 0.134 0.000 1.055 51 V CB -1.624 30.177 31.823 -0.036 0.000 0.657 51 V HN 0.904 nan 8.190 nan 0.000 0.455 52 G N 0.363 109.334 108.800 0.285 0.000 2.545 52 G HA2 -0.301 3.694 3.960 0.058 0.000 0.217 52 G HA3 -0.301 3.694 3.960 0.058 0.000 0.217 52 G C 1.417 176.510 174.900 0.322 0.000 1.218 52 G CA 1.323 46.553 45.100 0.217 0.000 0.787 52 G HN 0.707 nan 8.290 nan 0.000 0.571 53 H N 1.096 120.429 119.070 0.439 0.000 2.489 53 H HA 0.066 4.656 4.556 0.057 0.000 0.293 53 H C 2.815 178.305 175.328 0.270 0.000 1.066 53 H CA 0.898 57.118 56.048 0.285 0.000 1.305 53 H CB -0.791 29.113 29.762 0.236 0.000 1.386 53 H HN 0.401 nan 8.280 nan 0.000 0.551 54 A N 1.862 124.743 122.820 0.101 0.000 1.859 54 A HA -0.274 4.081 4.320 0.058 0.000 0.217 54 A C 2.546 180.101 177.584 -0.047 0.000 1.198 54 A CA 2.025 53.782 52.037 -0.466 0.000 0.629 54 A CB -0.715 17.871 19.000 -0.690 0.000 0.830 54 A HN 0.388 nan 8.150 nan 0.000 0.446 55 R N -0.975 119.583 120.500 0.096 0.000 2.091 55 R HA -0.144 4.231 4.340 0.058 0.000 0.238 55 R C 2.044 178.354 176.300 0.017 0.000 1.136 55 R CA 2.071 58.228 56.100 0.095 0.000 0.959 55 R CB -0.742 29.695 30.300 0.229 0.000 0.856 55 R HN 0.500 nan 8.270 nan 0.000 0.437 56 T N 0.031 114.579 114.554 -0.009 0.000 2.849 56 T HA -0.156 4.229 4.350 0.058 0.000 0.270 56 T C 0.966 175.384 174.700 -0.470 0.000 1.066 56 T CA 1.474 63.435 62.100 -0.231 0.000 1.130 56 T CB -0.216 68.445 68.868 -0.344 0.000 0.864 56 T HN 0.380 nan 8.240 nan 0.000 0.481 57 Y N 0.803 121.038 120.300 -0.108 0.000 2.389 57 Y HA 0.105 4.689 4.550 0.058 0.000 0.292 57 Y C 2.872 178.426 175.900 -0.576 0.000 1.117 57 Y CA 0.339 58.221 58.100 -0.365 0.000 1.195 57 Y CB -0.796 37.351 38.460 -0.521 0.000 1.076 57 Y HN 0.099 nan 8.280 nan 0.000 0.548 58 T N 1.315 115.753 114.554 -0.193 0.000 2.652 58 T HA -0.211 4.174 4.350 0.058 0.000 0.267 58 T C 1.986 176.535 174.700 -0.251 0.000 1.039 58 T CA 1.971 63.993 62.100 -0.131 0.000 1.153 58 T CB -0.619 68.308 68.868 0.097 0.000 0.863 58 T HN 0.204 nan 8.240 nan 0.000 0.428 59 I N 2.002 122.437 120.570 -0.225 0.000 2.091 59 I HA -0.212 3.993 4.170 0.058 0.000 0.240 59 I C -0.462 175.404 176.117 -0.419 0.000 1.046 59 I CA 1.626 62.758 61.300 -0.282 0.000 1.306 59 I CB -1.849 36.047 38.000 -0.173 0.000 1.018 59 I HN 0.241 nan 8.210 nan 0.000 0.404 60 P HA -0.174 nan 4.420 nan 0.000 0.220 60 P C 0.995 177.748 177.300 -0.912 0.000 1.148 60 P CA 1.797 64.523 63.100 -0.624 0.000 0.803 60 P CB -0.078 31.277 31.700 -0.575 0.000 0.782 61 D N 0.006 119.998 120.400 -0.679 0.000 2.085 61 D HA -0.122 4.553 4.640 0.058 0.000 0.199 61 D C 1.981 178.021 176.300 -0.433 0.000 0.981 61 D CA 0.947 54.688 54.000 -0.432 0.000 0.834 61 D CB -0.708 40.020 40.800 -0.120 0.000 0.992 61 D HN -0.198 nan 8.370 nan 0.000 0.457 62 V N 0.493 120.153 119.914 -0.424 0.000 2.363 62 V HA -0.271 3.884 4.120 0.058 0.000 0.254 62 V C 2.360 178.125 176.094 -0.548 0.000 1.074 62 V CA 1.377 63.368 62.300 -0.515 0.000 1.069 62 V CB -0.480 31.001 31.823 -0.571 0.000 0.659 62 V HN 0.274 nan 8.190 nan 0.000 0.455 63 I N 0.105 120.311 120.570 -0.607 0.000 2.584 63 I HA 0.010 4.215 4.170 0.058 0.000 0.255 63 I C 2.425 178.268 176.117 -0.456 0.000 1.145 63 I CA 1.292 62.223 61.300 -0.615 0.000 1.462 63 I CB -0.694 36.730 38.000 -0.960 0.000 1.102 63 I HN 0.173 nan 8.210 nan 0.000 0.433 64 A N 0.370 122.919 122.820 -0.451 0.000 1.930 64 A HA -0.140 4.214 4.320 0.058 0.000 0.217 64 A C 2.424 179.785 177.584 -0.371 0.000 1.175 64 A CA 1.244 53.072 52.037 -0.347 0.000 0.627 64 A CB -0.372 18.359 19.000 -0.448 0.000 0.815 64 A HN 0.267 nan 8.150 nan 0.000 0.443 65 R N -1.689 118.577 120.500 -0.389 0.000 2.070 65 R HA -0.051 4.323 4.340 0.058 0.000 0.227 65 R C 2.021 178.124 176.300 -0.328 0.000 1.147 65 R CA 1.412 57.291 56.100 -0.368 0.000 0.924 65 R CB -0.893 29.201 30.300 -0.344 0.000 0.827 65 R HN 0.512 nan 8.270 nan 0.000 0.431 66 F N 2.559 122.206 119.950 -0.505 0.000 2.050 66 F HA -0.381 4.180 4.527 0.056 0.000 0.294 66 F C 2.056 177.448 175.800 -0.679 0.000 1.113 66 F CA 1.883 59.500 58.000 -0.638 0.000 1.225 66 F CB -0.202 38.335 39.000 -0.772 0.000 0.953 66 F HN -0.151 nan 8.300 nan 0.000 0.501 67 K N 0.246 120.036 120.400 -1.018 0.000 2.209 67 K HA -0.160 4.195 4.320 0.058 0.000 0.204 67 K C 2.345 178.528 176.600 -0.694 0.000 1.048 67 K CA 1.221 56.740 56.287 -1.281 0.000 0.940 67 K CB -0.483 30.959 32.500 -1.765 0.000 0.729 67 K HN 0.424 nan 8.250 nan 0.000 0.451 68 R N 0.335 120.561 120.500 -0.457 0.000 2.066 68 R HA 0.026 4.401 4.340 0.058 0.000 0.232 68 R C 2.380 178.601 176.300 -0.131 0.000 1.131 68 R CA 1.212 57.191 56.100 -0.202 0.000 0.955 68 R CB -0.047 30.147 30.300 -0.177 0.000 0.851 68 R HN 0.109 nan 8.270 nan 0.000 0.432 69 M N -0.225 119.273 119.600 -0.171 0.000 2.159 69 M HA -0.194 4.320 4.480 0.058 0.000 0.263 69 M C 2.204 178.476 176.300 -0.047 0.000 1.063 69 M CA 1.534 56.808 55.300 -0.043 0.000 1.110 69 M CB -0.238 32.420 32.600 0.097 0.000 1.374 69 M HN 0.151 nan 8.290 nan 0.000 0.411 70 Q N 0.122 119.766 119.800 -0.261 0.000 2.443 70 Q HA -0.125 4.249 4.340 0.058 0.000 0.213 70 Q C 1.133 177.155 176.000 0.037 0.000 0.982 70 Q CA 1.470 57.152 55.803 -0.201 0.000 0.894 70 Q CB -0.042 28.349 28.738 -0.578 0.000 0.947 70 Q HN 0.737 nan 8.270 nan 0.000 0.480 71 G N -2.025 106.805 108.800 0.051 0.000 2.184 71 G HA2 -0.230 3.765 3.960 0.058 0.000 0.206 71 G HA3 -0.230 3.765 3.960 0.058 0.000 0.206 71 G C -0.663 174.255 174.900 0.030 0.000 0.995 71 G CA -0.166 44.951 45.100 0.029 0.000 0.651 71 G HN 0.217 nan 8.290 nan 0.000 0.511 72 Y N 0.791 121.025 120.300 -0.111 0.000 2.299 72 Y HA 0.463 5.047 4.550 0.057 0.000 0.326 72 Y C 1.231 177.178 175.900 0.079 0.000 1.164 72 Y CA -1.173 56.911 58.100 -0.026 0.000 1.234 72 Y CB 0.737 39.138 38.460 -0.099 0.000 1.219 72 Y HN 0.056 nan 8.280 nan 0.000 0.497 73 N N 2.065 120.957 118.700 0.320 0.000 2.601 73 N HA -0.063 4.712 4.740 0.058 0.000 0.201 73 N C -0.562 175.312 175.510 0.608 0.000 1.355 73 N CA 0.106 53.388 53.050 0.386 0.000 0.880 73 N CB -0.245 38.454 38.487 0.354 0.000 1.071 73 N HN 0.444 nan 8.380 nan 0.000 0.454 74 V N 1.592 121.796 119.914 0.484 0.000 3.023 74 V HA -0.212 3.943 4.120 0.058 0.000 0.274 74 V C 0.341 176.533 176.094 0.163 0.000 1.534 74 V CA 0.588 63.133 62.300 0.410 0.000 1.504 74 V CB -0.275 31.659 31.823 0.186 0.000 0.849 74 V HN 0.203 nan 8.190 nan 0.000 0.493 75 L N 7.605 128.758 121.223 -0.118 0.000 2.406 75 L HA 0.678 5.053 4.340 0.058 0.000 0.270 75 L C -1.164 175.576 176.870 -0.216 0.000 0.982 75 L CA -0.689 53.780 54.840 -0.619 0.000 0.843 75 L CB 1.285 42.155 42.059 -1.982 0.000 1.225 75 L HN 0.559 nan 8.230 nan 0.000 0.412 76 F N 8.935 128.673 119.950 -0.354 0.000 2.810 76 F HA 0.750 5.311 4.527 0.056 0.000 0.373 76 F C -2.883 172.677 175.800 -0.399 0.000 1.174 76 F CA -2.246 55.591 58.000 -0.271 0.000 1.141 76 F CB 1.172 40.034 39.000 -0.230 0.000 1.420 76 F HN 0.426 nan 8.300 nan 0.000 0.518 77 P HA 0.578 nan 4.420 nan 0.000 0.310 77 P C -1.375 175.388 177.300 -0.895 0.000 1.309 77 P CA -0.642 61.926 63.100 -0.887 0.000 0.769 77 P CB 2.572 33.566 31.700 -1.177 0.000 1.327 78 M N -1.036 118.003 119.600 -0.935 0.000 2.426 78 M HA 0.635 5.150 4.480 0.058 0.000 0.289 78 M C -2.148 173.747 176.300 -0.674 0.000 1.168 78 M CA -0.496 54.452 55.300 -0.586 0.000 0.933 78 M CB 1.295 33.566 32.600 -0.548 0.000 1.750 78 M HN 0.649 nan 8.290 nan 0.000 0.494 79 A N 2.004 124.421 122.820 -0.672 0.000 2.525 79 A HA 0.979 5.333 4.320 0.058 0.000 0.291 79 A C -2.301 174.507 177.584 -1.292 0.000 1.268 79 A CA -0.684 50.651 52.037 -1.170 0.000 0.712 79 A CB 1.044 19.309 19.000 -1.225 0.000 1.320 79 A HN 0.877 nan 8.150 nan 0.000 0.456 80 W N -0.565 120.619 121.300 -0.193 0.000 2.702 80 W HA 0.627 5.321 4.660 0.056 0.000 0.331 80 W C -0.103 176.131 176.519 -0.476 0.000 1.049 80 W CA -0.274 56.953 57.345 -0.196 0.000 1.230 80 W CB 1.228 30.652 29.460 -0.060 0.000 1.408 80 W HN 0.769 nan 8.180 nan 0.000 0.492 81 H N 4.605 123.321 119.070 -0.590 0.000 2.504 81 H HA 0.351 4.942 4.556 0.057 0.000 0.322 81 H C 0.537 175.800 175.328 -0.108 0.000 1.055 81 H CA -0.332 55.255 56.048 -0.768 0.000 1.231 81 H CB 1.129 30.295 29.762 -0.994 0.000 1.417 81 H HN 0.756 nan 8.280 nan 0.000 0.472 82 I N 1.135 121.645 120.570 -0.101 0.000 4.624 82 I HA 0.100 4.305 4.170 0.058 0.000 0.327 82 I C 0.594 176.754 176.117 0.072 0.000 1.295 82 I CA -0.287 60.973 61.300 -0.066 0.000 1.267 82 I CB 0.417 38.394 38.000 -0.039 0.000 1.249 82 I HN 0.379 nan 8.210 nan 0.000 0.440 83 T N 1.094 115.647 114.554 -0.002 0.000 2.666 83 T HA 0.473 4.858 4.350 0.058 0.000 0.265 83 T C 0.339 175.032 174.700 -0.012 0.000 1.009 83 T CA 0.530 62.652 62.100 0.037 0.000 1.238 83 T CB -0.229 68.713 68.868 0.124 0.000 0.969 83 T HN 0.730 nan 8.240 nan 0.000 0.515 84 G N 1.892 110.723 108.800 0.051 0.000 2.364 84 G HA2 0.497 4.492 3.960 0.058 0.000 0.286 84 G HA3 0.497 4.492 3.960 0.058 0.000 0.286 84 G C 0.086 175.016 174.900 0.050 0.000 1.241 84 G CA -0.147 44.958 45.100 0.008 0.000 0.887 84 G HN 1.148 nan 8.290 nan 0.000 0.484 85 S N -1.401 114.328 115.700 0.048 0.000 2.651 85 S HA 0.305 4.809 4.470 0.058 0.000 0.259 85 S C -1.132 173.533 174.600 0.108 0.000 1.073 85 S CA 0.821 59.060 58.200 0.065 0.000 1.090 85 S CB 0.772 63.998 63.200 0.044 0.000 1.042 85 S HN 0.293 nan 8.310 nan 0.000 0.581 86 P HA -0.040 nan 4.420 nan 0.000 0.213 86 P C 1.891 179.267 177.300 0.127 0.000 1.170 86 P CA 1.513 64.716 63.100 0.172 0.000 0.898 86 P CB -0.341 31.502 31.700 0.238 0.000 0.787 87 I N -2.518 118.138 120.570 0.143 0.000 2.074 87 I HA -0.311 3.894 4.170 0.058 0.000 0.238 87 I C 1.986 178.092 176.117 -0.018 0.000 1.037 87 I CA 1.885 63.187 61.300 0.004 0.000 1.301 87 I CB -1.873 36.098 38.000 -0.048 0.000 1.016 87 I HN -0.188 nan 8.210 nan 0.000 0.400 88 V N 2.087 122.007 119.914 0.009 0.000 2.218 88 V HA -0.327 3.828 4.120 0.058 0.000 0.251 88 V C 2.920 179.006 176.094 -0.014 0.000 1.057 88 V CA 2.817 65.113 62.300 -0.006 0.000 1.022 88 V CB -1.835 29.990 31.823 0.005 0.000 0.645 88 V HN 0.723 nan 8.190 nan 0.000 0.451 89 G N -0.489 108.312 108.800 0.002 0.000 2.505 89 G HA2 -0.295 3.700 3.960 0.058 0.000 0.220 89 G HA3 -0.295 3.700 3.960 0.058 0.000 0.220 89 G C 1.502 176.388 174.900 -0.022 0.000 1.145 89 G CA 1.461 46.552 45.100 -0.014 0.000 0.761 89 G HN 0.535 nan 8.290 nan 0.000 0.571 90 I N 1.398 121.959 120.570 -0.015 0.000 2.151 90 I HA -0.250 3.954 4.170 0.058 0.000 0.243 90 I C 3.340 179.407 176.117 -0.082 0.000 1.080 90 I CA 1.037 62.318 61.300 -0.032 0.000 1.339 90 I CB -0.575 37.394 38.000 -0.053 0.000 1.039 90 I HN 0.287 nan 8.210 nan 0.000 0.409 91 A N 1.066 123.831 122.820 -0.093 0.000 1.848 91 A HA -0.314 4.041 4.320 0.058 0.000 0.217 91 A C 2.123 179.675 177.584 -0.052 0.000 1.220 91 A CA 2.432 54.426 52.037 -0.073 0.000 0.645 91 A CB -0.948 18.024 19.000 -0.047 0.000 0.842 91 A HN 0.395 nan 8.150 nan 0.000 0.451 92 E N -0.422 119.752 120.200 -0.043 0.000 2.108 92 E HA -0.243 4.141 4.350 0.058 0.000 0.203 92 E C 2.147 178.717 176.600 -0.051 0.000 1.022 92 E CA 1.841 58.215 56.400 -0.042 0.000 0.823 92 E CB -0.332 29.348 29.700 -0.034 0.000 0.744 92 E HN 0.596 nan 8.360 nan 0.000 0.456 93 R N -0.169 120.304 120.500 -0.045 0.000 2.091 93 R HA -0.163 4.211 4.340 0.058 0.000 0.238 93 R C 2.452 178.723 176.300 -0.048 0.000 1.136 93 R CA 1.689 57.766 56.100 -0.039 0.000 0.959 93 R CB -0.700 29.593 30.300 -0.012 0.000 0.856 93 R HN 0.359 nan 8.270 nan 0.000 0.437 94 I N -0.708 119.828 120.570 -0.056 0.000 2.546 94 I HA -0.096 4.109 4.170 0.058 0.000 0.255 94 I C 2.142 178.164 176.117 -0.159 0.000 1.163 94 I CA 1.264 62.515 61.300 -0.082 0.000 1.457 94 I CB -0.362 37.612 38.000 -0.044 0.000 1.092 94 I HN -0.071 nan 8.210 nan 0.000 0.434 95 K N 1.965 122.293 120.400 -0.121 0.000 1.973 95 K HA -0.192 4.163 4.320 0.058 0.000 0.212 95 K C 1.682 178.190 176.600 -0.152 0.000 1.047 95 K CA 2.259 58.465 56.287 -0.136 0.000 0.937 95 K CB -0.436 32.015 32.500 -0.082 0.000 0.721 95 K HN 0.531 nan 8.250 nan 0.000 0.440 96 N N 0.856 119.490 118.700 -0.110 0.000 2.651 96 N HA -0.121 4.654 4.740 0.058 0.000 0.193 96 N C -0.460 174.977 175.510 -0.123 0.000 1.149 96 N CA -0.005 52.983 53.050 -0.102 0.000 0.933 96 N CB -0.074 38.364 38.487 -0.081 0.000 0.974 96 N HN 0.134 nan 8.380 nan 0.000 0.448 97 R N 1.282 121.680 120.500 -0.170 0.000 3.146 97 R HA -0.164 4.211 4.340 0.058 0.000 0.250 97 R C -1.400 174.842 176.300 -0.096 0.000 0.912 97 R CA 0.115 56.095 56.100 -0.201 0.000 0.633 97 R CB -1.780 28.370 30.300 -0.250 0.000 1.180 97 R HN 0.240 nan 8.270 nan 0.000 0.464 98 D N 1.084 121.450 120.400 -0.057 0.000 2.371 98 D HA 0.096 4.771 4.640 0.058 0.000 0.256 98 D C -0.872 175.452 176.300 0.041 0.000 1.193 98 D CA -1.886 52.107 54.000 -0.011 0.000 0.881 98 D CB 1.045 41.846 40.800 0.003 0.000 1.143 98 D HN 0.158 nan 8.370 nan 0.000 0.473 99 P HA -0.235 nan 4.420 nan 0.000 0.214 99 P C 1.261 178.643 177.300 0.137 0.000 1.163 99 P CA 1.443 64.587 63.100 0.074 0.000 0.889 99 P CB 0.418 32.133 31.700 0.025 0.000 0.790 100 K N -0.666 119.794 120.400 0.101 0.000 2.007 100 K HA -0.067 4.288 4.320 0.058 0.000 0.206 100 K C 2.192 178.965 176.600 0.289 0.000 1.047 100 K CA 1.883 58.263 56.287 0.155 0.000 0.937 100 K CB -0.569 31.967 32.500 0.060 0.000 0.718 100 K HN -0.007 nan 8.250 nan 0.000 0.438 101 T N 2.045 116.733 114.554 0.224 0.000 2.759 101 T HA -0.166 4.219 4.350 0.058 0.000 0.269 101 T C 1.803 176.747 174.700 0.406 0.000 1.042 101 T CA 1.691 63.969 62.100 0.296 0.000 1.140 101 T CB -0.365 68.631 68.868 0.212 0.000 0.864 101 T HN 0.456 nan 8.240 nan 0.000 0.455 102 I N -1.214 119.546 120.570 0.317 0.000 2.439 102 I HA 0.060 4.265 4.170 0.058 0.000 0.251 102 I C 2.171 178.511 176.117 0.372 0.000 1.139 102 I CA 0.392 61.894 61.300 0.336 0.000 1.438 102 I CB -0.912 37.225 38.000 0.228 0.000 1.085 102 I HN 0.282 nan 8.210 nan 0.000 0.427 103 W N 1.648 123.049 121.300 0.168 0.000 2.425 103 W HA 0.060 4.755 4.660 0.059 0.000 0.277 103 W C 1.926 178.507 176.519 0.103 0.000 1.231 103 W CA 1.253 58.672 57.345 0.124 0.000 1.248 103 W CB -0.041 29.463 29.460 0.073 0.000 1.117 103 W HN 0.087 nan 8.180 nan 0.000 0.568 104 I N -0.361 120.324 120.570 0.191 0.000 2.830 104 I HA -0.233 3.972 4.170 0.058 0.000 0.263 104 I C 1.095 177.055 176.117 -0.262 0.000 1.230 104 I CA 1.012 62.233 61.300 -0.133 0.000 1.480 104 I CB -0.279 37.754 38.000 0.054 0.000 1.095 104 I HN 0.005 nan 8.210 nan 0.000 0.455 105 Y N -0.774 119.606 120.300 0.132 0.000 2.483 105 Y HA 0.156 4.740 4.550 0.057 0.000 0.258 105 Y C 2.431 178.464 175.900 0.221 0.000 1.083 105 Y CA 0.031 58.309 58.100 0.296 0.000 1.283 105 Y CB 0.175 38.873 38.460 0.396 0.000 1.178 105 Y HN -0.097 nan 8.280 nan 0.000 0.515 106 R N -0.082 120.550 120.500 0.221 0.000 2.189 106 R HA -0.008 4.367 4.340 0.058 0.000 0.203 106 R C 0.353 176.639 176.300 -0.023 0.000 1.012 106 R CA 1.587 57.772 56.100 0.142 0.000 1.015 106 R CB 0.274 30.675 30.300 0.169 0.000 0.938 106 R HN 0.198 nan 8.270 nan 0.000 0.472 107 D N -1.401 118.839 120.400 -0.267 0.000 2.626 107 D HA 0.039 4.714 4.640 0.058 0.000 0.274 107 D C 1.559 177.609 176.300 -0.416 0.000 1.045 107 D CA 0.328 54.097 54.000 -0.386 0.000 0.925 107 D CB 0.397 40.788 40.800 -0.683 0.000 1.260 107 D HN -0.090 nan 8.370 nan 0.000 0.490 108 V N 0.352 119.889 119.914 -0.628 0.000 2.256 108 V HA -0.168 3.986 4.120 0.058 0.000 0.240 108 V C 1.363 177.250 176.094 -0.346 0.000 1.036 108 V CA 1.344 63.300 62.300 -0.573 0.000 1.008 108 V CB -0.383 30.948 31.823 -0.821 0.000 0.648 108 V HN 0.206 nan 8.190 nan 0.000 0.453 109 Y N 0.308 120.538 120.300 -0.117 0.000 2.529 109 Y HA 0.245 4.829 4.550 0.057 0.000 0.290 109 Y C 0.941 177.016 175.900 0.291 0.000 1.177 109 Y CA -0.782 57.386 58.100 0.113 0.000 1.305 109 Y CB -1.107 37.345 38.460 -0.014 0.000 1.047 109 Y HN 0.273 nan 8.280 nan 0.000 0.522 110 K N 0.396 120.947 120.400 0.252 0.000 5.307 110 K HA -0.134 4.221 4.320 0.058 0.000 0.461 110 K C -1.188 175.636 176.600 0.373 0.000 1.070 110 K CA 0.185 56.609 56.287 0.228 0.000 1.173 110 K CB -0.959 31.628 32.500 0.144 0.000 1.918 110 K HN -0.043 nan 8.250 nan 0.000 0.321 111 V N 4.286 124.407 119.914 0.344 0.000 2.588 111 V HA 0.271 4.426 4.120 0.058 0.000 0.304 111 V C -2.083 174.078 176.094 0.112 0.000 1.042 111 V CA -2.115 60.379 62.300 0.324 0.000 0.877 111 V CB 2.092 34.207 31.823 0.487 0.000 0.996 111 V HN 0.456 nan 8.190 nan 0.000 0.425 112 P HA -0.031 nan 4.420 nan 0.000 0.253 112 P C 0.842 178.085 177.300 -0.094 0.000 1.170 112 P CA 0.468 63.517 63.100 -0.084 0.000 0.806 112 P CB 0.393 31.991 31.700 -0.169 0.000 0.775 113 E N 3.993 124.160 120.200 -0.055 0.000 2.301 113 E HA -0.344 4.040 4.350 0.058 0.000 0.224 113 E C 1.463 177.941 176.600 -0.203 0.000 1.092 113 E CA 2.308 58.666 56.400 -0.070 0.000 0.913 113 E CB -0.362 29.279 29.700 -0.100 0.000 0.776 113 E HN 0.476 nan 8.360 nan 0.000 0.465 114 E N 0.049 120.099 120.200 -0.250 0.000 1.996 114 E HA -0.107 4.278 4.350 0.058 0.000 0.197 114 E C 2.148 178.592 176.600 -0.260 0.000 1.002 114 E CA 1.888 58.102 56.400 -0.309 0.000 0.840 114 E CB -0.673 28.876 29.700 -0.252 0.000 0.786 114 E HN 0.433 nan 8.360 nan 0.000 0.469 115 I N 1.004 121.397 120.570 -0.296 0.000 2.191 115 I HA -0.373 3.831 4.170 0.058 0.000 0.248 115 I C 2.600 178.376 176.117 -0.568 0.000 1.061 115 I CA 1.306 62.348 61.300 -0.431 0.000 1.329 115 I CB -0.580 37.080 38.000 -0.566 0.000 1.024 115 I HN 0.277 nan 8.210 nan 0.000 0.423 116 L N 0.349 121.348 121.223 -0.374 0.000 1.965 116 L HA -0.289 4.086 4.340 0.058 0.000 0.226 116 L C 2.475 179.231 176.870 -0.190 0.000 1.083 116 L CA 2.259 56.930 54.840 -0.282 0.000 0.790 116 L CB -0.542 41.665 42.059 0.246 0.000 0.898 116 L HN 0.254 nan 8.230 nan 0.000 0.439 117 W N 0.235 121.396 121.300 -0.231 0.000 2.285 117 W HA -0.273 4.421 4.660 0.058 0.000 0.290 117 W C 2.673 179.092 176.519 -0.166 0.000 1.217 117 W CA 1.893 59.154 57.345 -0.139 0.000 1.207 117 W CB -1.765 27.634 29.460 -0.101 0.000 1.136 117 W HN 0.433 nan 8.180 nan 0.000 0.546 118 T N -3.722 110.773 114.554 -0.098 0.000 3.215 118 T HA -0.082 4.303 4.350 0.058 0.000 0.254 118 T C 1.332 175.971 174.700 -0.100 0.000 1.149 118 T CA 0.335 62.354 62.100 -0.135 0.000 1.042 118 T CB -0.768 67.965 68.868 -0.225 0.000 0.966 118 T HN -0.086 nan 8.240 nan 0.000 0.534 119 F N 1.906 121.820 119.950 -0.061 0.000 2.710 119 F HA 0.290 4.851 4.527 0.057 0.000 0.298 119 F C 2.069 177.806 175.800 -0.105 0.000 1.137 119 F CA -0.782 57.151 58.000 -0.112 0.000 1.444 119 F CB -0.494 38.399 39.000 -0.177 0.000 1.111 119 F HN 0.350 nan 8.300 nan 0.000 0.580 120 E N -0.445 119.805 120.200 0.084 0.000 2.233 120 E HA -0.227 4.157 4.350 0.058 0.000 0.199 120 E C 0.544 177.156 176.600 0.019 0.000 1.004 120 E CA 1.044 57.454 56.400 0.017 0.000 0.819 120 E CB -0.225 29.469 29.700 -0.011 0.000 0.738 120 E HN 0.173 nan 8.360 nan 0.000 0.478 121 D N -0.334 120.090 120.400 0.040 0.000 2.316 121 D HA 0.049 4.724 4.640 0.058 0.000 0.245 121 D C -1.898 174.424 176.300 0.036 0.000 1.171 121 D CA -2.468 51.547 54.000 0.025 0.000 0.856 121 D CB 1.466 42.276 40.800 0.017 0.000 1.090 121 D HN -0.224 nan 8.370 nan 0.000 0.476 122 P HA -0.089 nan 4.420 nan 0.000 0.215 122 P C 1.663 178.947 177.300 -0.027 0.000 1.157 122 P CA 0.435 63.519 63.100 -0.026 0.000 0.863 122 P CB 0.296 31.977 31.700 -0.031 0.000 0.787 123 I N -0.316 120.239 120.570 -0.025 0.000 2.502 123 I HA -0.253 3.952 4.170 0.058 0.000 0.258 123 I C 1.731 177.831 176.117 -0.028 0.000 1.172 123 I CA 1.588 62.862 61.300 -0.043 0.000 1.430 123 I CB -1.564 36.411 38.000 -0.041 0.000 1.086 123 I HN 0.151 nan 8.210 nan 0.000 0.440 124 N N 0.458 119.174 118.700 0.027 0.000 2.354 124 N HA -0.021 4.754 4.740 0.058 0.000 0.179 124 N C 1.884 177.509 175.510 0.191 0.000 1.021 124 N CA 0.631 53.728 53.050 0.078 0.000 0.887 124 N CB 0.251 38.792 38.487 0.091 0.000 0.974 124 N HN 0.327 nan 8.380 nan 0.000 0.437 125 I N 0.211 120.855 120.570 0.125 0.000 2.500 125 I HA -0.088 4.116 4.170 0.058 0.000 0.252 125 I C 1.520 177.596 176.117 -0.068 0.000 1.142 125 I CA 0.714 61.968 61.300 -0.076 0.000 1.451 125 I CB 0.043 37.833 38.000 -0.351 0.000 1.093 125 I HN -0.084 nan 8.210 nan 0.000 0.430 126 V N 1.074 120.933 119.914 -0.091 0.000 3.573 126 V HA -0.052 4.103 4.120 0.058 0.000 0.270 126 V C 2.075 178.081 176.094 -0.147 0.000 1.221 126 V CA 1.112 63.328 62.300 -0.140 0.000 1.163 126 V CB -0.541 31.188 31.823 -0.157 0.000 0.847 126 V HN 0.347 nan 8.190 nan 0.000 0.468 127 K N -0.811 119.528 120.400 -0.101 0.000 2.273 127 K HA 0.003 4.357 4.320 0.058 0.000 0.206 127 K C 2.135 178.682 176.600 -0.088 0.000 1.072 127 K CA 0.327 56.554 56.287 -0.099 0.000 0.953 127 K CB -0.058 32.405 32.500 -0.062 0.000 1.043 127 K HN 0.301 nan 8.250 nan 0.000 0.477 128 Y N 0.659 120.812 120.300 -0.246 0.000 2.274 128 Y HA -0.142 4.442 4.550 0.057 0.000 0.290 128 Y C 1.315 176.952 175.900 -0.438 0.000 1.145 128 Y CA 1.367 59.248 58.100 -0.365 0.000 1.203 128 Y CB -0.171 38.020 38.460 -0.449 0.000 0.984 128 Y HN 0.002 nan 8.280 nan 0.000 0.533 129 F N -1.214 118.509 119.950 -0.378 0.000 2.619 129 F HA 0.046 4.607 4.527 0.057 0.000 0.293 129 F C 2.420 177.891 175.800 -0.549 0.000 1.119 129 F CA 0.683 58.335 58.000 -0.581 0.000 1.445 129 F CB -0.695 37.952 39.000 -0.588 0.000 1.119 129 F HN 0.071 nan 8.300 nan 0.000 0.573 130 M N 0.009 119.404 119.600 -0.341 0.000 2.132 130 M HA -0.182 4.333 4.480 0.058 0.000 0.263 130 M C 2.473 178.369 176.300 -0.673 0.000 1.065 130 M CA 1.686 56.612 55.300 -0.623 0.000 1.122 130 M CB -0.143 32.199 32.600 -0.431 0.000 1.365 130 M HN -0.082 nan 8.290 nan 0.000 0.411 131 K N 0.422 120.599 120.400 -0.372 0.000 2.057 131 K HA -0.099 4.256 4.320 0.058 0.000 0.206 131 K C 1.688 178.135 176.600 -0.255 0.000 1.050 131 K CA 1.554 57.684 56.287 -0.261 0.000 0.935 131 K CB -0.255 32.178 32.500 -0.111 0.000 0.715 131 K HN 0.437 nan 8.250 nan 0.000 0.439 132 A N 0.610 123.290 122.820 -0.234 0.000 2.125 132 A HA -0.014 4.341 4.320 0.058 0.000 0.219 132 A C 2.058 179.548 177.584 -0.156 0.000 1.156 132 A CA 1.638 53.606 52.037 -0.115 0.000 0.671 132 A CB -0.321 18.657 19.000 -0.037 0.000 0.794 132 A HN 0.462 nan 8.150 nan 0.000 0.459 133 A N 0.050 122.623 122.820 -0.412 0.000 1.896 133 A HA 0.102 4.456 4.320 0.058 0.000 0.213 133 A C 1.952 179.195 177.584 -0.569 0.000 1.306 133 A CA 1.366 53.042 52.037 -0.601 0.000 0.626 133 A CB -0.550 17.822 19.000 -1.048 0.000 0.994 133 A HN 0.392 nan 8.150 nan 0.000 0.475 134 K N 0.017 119.993 120.400 -0.706 0.000 2.189 134 K HA -0.274 4.080 4.320 0.058 0.000 0.207 134 K C 1.759 178.271 176.600 -0.146 0.000 1.046 134 K CA 2.210 58.361 56.287 -0.228 0.000 0.928 134 K CB -0.170 32.174 32.500 -0.260 0.000 0.720 134 K HN 0.601 nan 8.250 nan 0.000 0.458 135 E N -1.104 118.993 120.200 -0.173 0.000 2.051 135 E HA -0.080 4.305 4.350 0.058 0.000 0.189 135 E C 1.782 178.364 176.600 -0.030 0.000 0.979 135 E CA 1.691 58.032 56.400 -0.098 0.000 0.803 135 E CB 0.160 29.803 29.700 -0.095 0.000 0.761 135 E HN 0.353 nan 8.360 nan 0.000 0.451 136 T N 0.594 115.129 114.554 -0.031 0.000 2.867 136 T HA -0.111 4.274 4.350 0.058 0.000 0.268 136 T C 1.338 176.091 174.700 0.089 0.000 1.057 136 T CA 0.722 62.805 62.100 -0.028 0.000 1.136 136 T CB -0.231 68.643 68.868 0.010 0.000 0.874 136 T HN 0.051 nan 8.240 nan 0.000 0.466 137 F N 0.846 120.832 119.950 0.060 0.000 2.113 137 F HA 0.101 4.661 4.527 0.056 0.000 0.297 137 F C 2.139 177.926 175.800 -0.022 0.000 1.103 137 F CA -0.452 57.626 58.000 0.129 0.000 1.248 137 F CB -0.960 38.414 39.000 0.623 0.000 0.999 137 F HN 0.074 nan 8.300 nan 0.000 0.475 138 I N -0.104 120.698 120.570 0.387 0.000 2.546 138 I HA -0.130 4.074 4.170 0.058 0.000 0.255 138 I C 2.229 178.431 176.117 0.143 0.000 1.163 138 I CA 1.120 62.606 61.300 0.309 0.000 1.457 138 I CB -0.518 37.599 38.000 0.195 0.000 1.092 138 I HN -0.112 nan 8.210 nan 0.000 0.434 139 R N 0.171 120.688 120.500 0.029 0.000 2.323 139 R HA 0.197 4.572 4.340 0.058 0.000 0.198 139 R C 1.290 177.559 176.300 -0.050 0.000 0.988 139 R CA 0.821 56.909 56.100 -0.020 0.000 1.041 139 R CB -0.284 29.973 30.300 -0.072 0.000 0.926 139 R HN 0.392 nan 8.270 nan 0.000 0.476 140 A N -0.961 121.760 122.820 -0.165 0.000 2.469 140 A HA 0.320 4.675 4.320 0.058 0.000 0.245 140 A C 0.818 178.324 177.584 -0.130 0.000 1.221 140 A CA 0.369 52.257 52.037 -0.248 0.000 0.946 140 A CB 0.394 19.001 19.000 -0.654 0.000 1.049 140 A HN 0.207 nan 8.150 nan 0.000 0.529 141 G N 0.200 109.064 108.800 0.107 0.000 2.367 141 G HA2 -0.220 3.774 3.960 0.058 0.000 0.295 141 G HA3 -0.220 3.774 3.960 0.058 0.000 0.295 141 G C -0.400 174.637 174.900 0.228 0.000 1.019 141 G CA 0.032 45.368 45.100 0.394 0.000 1.224 141 G HN 0.237 nan 8.290 nan 0.000 0.510 142 F N 0.324 120.421 119.950 0.245 0.000 2.396 142 F HA 0.446 5.010 4.527 0.061 0.000 0.343 142 F C 1.668 177.427 175.800 -0.069 0.000 1.104 142 F CA -1.081 56.957 58.000 0.062 0.000 1.161 142 F CB 1.603 40.596 39.000 -0.012 0.000 1.146 142 F HN 0.132 nan 8.300 nan 0.000 0.522 143 S N 0.875 116.544 115.700 -0.050 0.000 2.776 143 S HA -0.020 4.485 4.470 0.058 0.000 0.242 143 S C 0.608 174.971 174.600 -0.395 0.000 0.977 143 S CA -0.137 57.732 58.200 -0.551 0.000 0.985 143 S CB -0.951 61.783 63.200 -0.778 0.000 0.782 143 S HN 0.327 nan 8.310 nan 0.000 0.542 144 V N 3.255 122.865 119.914 -0.507 0.000 2.584 144 V HA -0.057 4.098 4.120 0.058 0.000 0.303 144 V C 0.738 176.375 176.094 -0.763 0.000 1.035 144 V CA -0.068 61.650 62.300 -0.970 0.000 1.172 144 V CB 0.192 31.170 31.823 -1.408 0.000 0.896 144 V HN 0.349 nan 8.190 nan 0.000 0.486 145 D N 5.021 125.030 120.400 -0.651 0.000 2.483 145 D HA 0.076 4.750 4.640 0.058 0.000 0.220 145 D C 0.650 176.735 176.300 -0.357 0.000 1.173 145 D CA -0.471 53.317 54.000 -0.354 0.000 0.964 145 D CB 0.115 40.738 40.800 -0.296 0.000 1.046 145 D HN 0.560 nan 8.370 nan 0.000 0.517 146 W N 2.147 123.405 121.300 -0.072 0.000 2.632 146 W HA -0.124 4.569 4.660 0.055 0.000 0.248 146 W C 2.599 179.091 176.519 -0.044 0.000 1.259 146 W CA 0.395 57.707 57.345 -0.054 0.000 1.288 146 W CB -0.306 29.175 29.460 0.035 0.000 1.136 146 W HN 0.361 nan 8.180 nan 0.000 0.640 147 S N 1.695 117.474 115.700 0.132 0.000 2.372 147 S HA -0.188 4.317 4.470 0.058 0.000 0.227 147 S C 1.088 175.723 174.600 0.057 0.000 1.044 147 S CA 0.968 59.221 58.200 0.088 0.000 1.050 147 S CB -0.200 63.019 63.200 0.033 0.000 0.901 147 S HN 0.280 nan 8.310 nan 0.000 0.447 148 R N 1.948 122.425 120.500 -0.039 0.000 2.408 148 R HA 0.448 4.823 4.340 0.058 0.000 0.308 148 R C -0.321 175.928 176.300 -0.086 0.000 1.210 148 R CA -0.066 55.999 56.100 -0.059 0.000 1.115 148 R CB 0.422 30.617 30.300 -0.176 0.000 1.127 148 R HN 0.517 nan 8.270 nan 0.000 0.523 149 E N 3.811 124.031 120.200 0.034 0.000 2.343 149 E HA 0.442 4.826 4.350 0.058 0.000 0.278 149 E C -1.445 175.148 176.600 -0.011 0.000 0.910 149 E CA -0.882 55.490 56.400 -0.047 0.000 0.757 149 E CB 1.350 31.127 29.700 0.128 0.000 1.218 149 E HN 0.313 nan 8.360 nan 0.000 0.435 150 F N 1.004 120.804 119.950 -0.251 0.000 2.773 150 F HA 0.600 5.162 4.527 0.059 0.000 0.314 150 F C -2.021 173.529 175.800 -0.417 0.000 1.160 150 F CA -1.140 56.464 58.000 -0.661 0.000 0.920 150 F CB 0.436 38.565 39.000 -1.452 0.000 1.323 150 F HN 0.376 nan 8.300 nan 0.000 0.457 151 Y N -0.834 119.595 120.300 0.216 0.000 2.650 151 Y HA 0.867 5.452 4.550 0.057 0.000 0.331 151 Y C 0.343 176.518 175.900 0.459 0.000 1.082 151 Y CA -0.853 57.424 58.100 0.295 0.000 1.171 151 Y CB 0.216 38.934 38.460 0.430 0.000 1.326 151 Y HN 0.884 nan 8.280 nan 0.000 0.513 152 T N -2.127 112.786 114.554 0.598 0.000 2.867 152 T HA 0.619 5.003 4.350 0.058 0.000 0.286 152 T C 0.220 175.276 174.700 0.594 0.000 1.022 152 T CA 0.076 62.572 62.100 0.660 0.000 0.933 152 T CB 0.785 69.994 68.868 0.568 0.000 1.280 152 T HN 1.801 nan 8.240 nan 0.000 0.566 153 T N -1.879 112.950 114.554 0.457 0.000 0.541 153 T HA -0.229 4.156 4.350 0.058 0.000 0.774 153 T C 0.979 175.840 174.700 0.268 0.000 0.992 153 T CA 0.769 63.037 62.100 0.280 0.000 4.077 153 T CB -2.088 66.911 68.868 0.219 0.000 2.303 153 T HN 1.986 nan 8.240 nan 0.000 0.398 154 S N 0.412 116.209 115.700 0.162 0.000 2.547 154 S HA 0.091 4.596 4.470 0.058 0.000 0.235 154 S C 1.982 176.699 174.600 0.195 0.000 0.980 154 S CA 0.977 59.258 58.200 0.135 0.000 0.941 154 S CB -0.636 62.602 63.200 0.064 0.000 0.763 154 S HN 0.691 nan 8.310 nan 0.000 0.532 155 L N -0.812 120.577 121.223 0.277 0.000 2.554 155 L HA 0.349 4.723 4.340 0.058 0.000 0.226 155 L C 0.532 177.695 176.870 0.490 0.000 1.137 155 L CA 0.541 55.580 54.840 0.331 0.000 0.863 155 L CB -0.177 42.058 42.059 0.294 0.000 0.985 155 L HN 0.352 nan 8.230 nan 0.000 0.451 156 F N 0.714 120.875 119.950 0.352 0.000 2.471 156 F HA 0.317 4.878 4.527 0.057 0.000 0.318 156 F C -1.602 174.310 175.800 0.186 0.000 1.308 156 F CA -2.061 56.065 58.000 0.210 0.000 1.162 156 F CB 0.702 39.741 39.000 0.065 0.000 1.383 156 F HN -0.168 nan 8.300 nan 0.000 0.552 157 P HA -0.315 nan 4.420 nan 0.000 0.229 157 P C -1.446 176.034 177.300 0.301 0.000 1.147 157 P CA 2.446 65.679 63.100 0.222 0.000 0.949 157 P CB -0.853 30.922 31.700 0.125 0.000 0.786 158 P HA -0.176 nan 4.420 nan 0.000 0.219 158 P C 1.612 179.145 177.300 0.387 0.000 1.150 158 P CA 1.392 64.778 63.100 0.476 0.000 0.814 158 P CB -0.466 31.577 31.700 0.571 0.000 0.787 159 F N 1.384 121.335 119.950 0.001 0.000 2.098 159 F HA -0.148 4.414 4.527 0.059 0.000 0.294 159 F C 2.375 178.091 175.800 -0.140 0.000 1.107 159 F CA 1.149 58.795 58.000 -0.590 0.000 1.234 159 F CB -0.280 38.286 39.000 -0.723 0.000 1.002 159 F HN -0.142 nan 8.300 nan 0.000 0.472 160 S N 0.676 116.362 115.700 -0.024 0.000 2.374 160 S HA -0.232 4.272 4.470 0.058 0.000 0.227 160 S C 1.858 176.463 174.600 0.008 0.000 1.037 160 S CA 1.285 59.432 58.200 -0.088 0.000 1.024 160 S CB -0.361 62.861 63.200 0.038 0.000 0.861 160 S HN 0.269 nan 8.310 nan 0.000 0.456 161 K N 0.677 121.205 120.400 0.214 0.000 2.063 161 K HA -0.038 4.316 4.320 0.058 0.000 0.208 161 K C 1.746 178.655 176.600 0.515 0.000 1.048 161 K CA 1.043 57.602 56.287 0.454 0.000 0.928 161 K CB -0.741 32.124 32.500 0.607 0.000 0.713 161 K HN 0.446 nan 8.250 nan 0.000 0.442 162 F N 2.187 122.096 119.950 -0.068 0.000 2.046 162 F HA -0.199 4.363 4.527 0.059 0.000 0.297 162 F C 2.117 177.717 175.800 -0.332 0.000 1.123 162 F CA 1.257 58.717 58.000 -0.900 0.000 1.199 162 F CB -0.374 38.147 39.000 -0.798 0.000 0.972 162 F HN -0.135 nan 8.300 nan 0.000 0.474 163 I N 0.573 120.903 120.570 -0.400 0.000 2.185 163 I HA -0.327 3.877 4.170 0.058 0.000 0.246 163 I C 2.325 178.362 176.117 -0.133 0.000 1.088 163 I CA 1.893 62.985 61.300 -0.346 0.000 1.347 163 I CB -1.094 36.633 38.000 -0.456 0.000 1.041 163 I HN 0.375 nan 8.210 nan 0.000 0.415 164 E N -0.278 119.882 120.200 -0.067 0.000 2.005 164 E HA -0.302 4.082 4.350 0.058 0.000 0.198 164 E C 1.918 178.661 176.600 0.238 0.000 1.010 164 E CA 1.884 58.303 56.400 0.031 0.000 0.825 164 E CB -0.471 29.348 29.700 0.197 0.000 0.769 164 E HN 0.558 nan 8.360 nan 0.000 0.456 165 W N 2.470 123.871 121.300 0.168 0.000 2.257 165 W HA -0.367 4.328 4.660 0.058 0.000 0.325 165 W C 2.344 178.881 176.519 0.030 0.000 1.296 165 W CA 2.717 60.183 57.345 0.202 0.000 1.297 165 W CB -0.510 29.027 29.460 0.130 0.000 1.131 165 W HN 0.154 nan 8.180 nan 0.000 0.492 166 Q N -0.787 118.891 119.800 -0.203 0.000 1.956 166 Q HA -0.285 4.089 4.340 0.058 0.000 0.208 166 Q C 2.295 178.090 176.000 -0.342 0.000 0.998 166 Q CA 2.599 58.076 55.803 -0.543 0.000 0.855 166 Q CB -0.998 27.534 28.738 -0.343 0.000 0.928 166 Q HN 0.350 nan 8.270 nan 0.000 0.418 167 F N -0.690 119.098 119.950 -0.270 0.000 2.154 167 F HA -0.213 4.349 4.527 0.057 0.000 0.301 167 F C 1.957 177.768 175.800 0.018 0.000 1.087 167 F CA 1.302 59.207 58.000 -0.159 0.000 1.274 167 F CB -0.677 38.142 39.000 -0.301 0.000 1.009 167 F HN 0.271 nan 8.300 nan 0.000 0.485 168 W N 0.588 122.015 121.300 0.212 0.000 2.355 168 W HA -0.175 4.519 4.660 0.058 0.000 0.309 168 W C 2.225 178.653 176.519 -0.152 0.000 1.206 168 W CA 0.610 58.036 57.345 0.136 0.000 1.284 168 W CB -0.250 29.274 29.460 0.106 0.000 1.145 168 W HN -0.318 nan 8.180 nan 0.000 0.502 169 K N 0.543 120.879 120.400 -0.108 0.000 2.519 169 K HA -0.085 4.269 4.320 0.058 0.000 0.196 169 K C 1.495 177.907 176.600 -0.313 0.000 1.041 169 K CA 0.896 56.979 56.287 -0.340 0.000 0.954 169 K CB -0.584 31.455 32.500 -0.769 0.000 0.774 169 K HN 0.382 nan 8.250 nan 0.000 0.480 170 L N -0.038 121.034 121.223 -0.251 0.000 2.558 170 L HA -0.009 4.366 4.340 0.058 0.000 0.225 170 L C 1.896 178.607 176.870 -0.266 0.000 1.128 170 L CA 0.493 55.174 54.840 -0.265 0.000 0.868 170 L CB 0.062 41.939 42.059 -0.303 0.000 1.006 170 L HN 0.078 nan 8.230 nan 0.000 0.454 171 K N -0.380 119.878 120.400 -0.236 0.000 2.244 171 K HA -0.025 4.330 4.320 0.058 0.000 0.200 171 K C 1.676 178.108 176.600 -0.279 0.000 1.052 171 K CA 0.241 56.359 56.287 -0.281 0.000 0.980 171 K CB 0.308 32.635 32.500 -0.288 0.000 0.838 171 K HN -0.017 nan 8.250 nan 0.000 0.481 172 E N 1.301 121.361 120.200 -0.233 0.000 2.273 172 E HA -0.160 4.225 4.350 0.058 0.000 0.198 172 E C 1.219 177.625 176.600 -0.324 0.000 1.002 172 E CA 1.262 57.525 56.400 -0.228 0.000 0.828 172 E CB 0.072 29.659 29.700 -0.188 0.000 0.747 172 E HN 0.133 nan 8.360 nan 0.000 0.491 173 K N -1.485 118.619 120.400 -0.494 0.000 2.354 173 K HA 0.188 4.543 4.320 0.058 0.000 0.194 173 K C 0.651 176.676 176.600 -0.959 0.000 1.038 173 K CA 0.592 56.396 56.287 -0.804 0.000 1.052 173 K CB 0.976 32.755 32.500 -1.200 0.000 0.861 173 K HN 0.186 nan 8.250 nan 0.000 0.535 174 G N 1.991 110.395 108.800 -0.659 0.000 2.289 174 G HA2 -0.245 3.750 3.960 0.058 0.000 0.280 174 G HA3 -0.245 3.750 3.960 0.058 0.000 0.280 174 G C -0.081 174.566 174.900 -0.422 0.000 1.089 174 G CA 0.013 44.841 45.100 -0.454 0.000 0.939 174 G HN 0.276 nan 8.290 nan 0.000 0.499 175 Y N -0.867 119.257 120.300 -0.294 0.000 2.467 175 Y HA 0.389 4.974 4.550 0.058 0.000 0.250 175 Y C 1.163 176.957 175.900 -0.175 0.000 1.155 175 Y CA -1.096 56.826 58.100 -0.296 0.000 1.249 175 Y CB 0.485 38.553 38.460 -0.653 0.000 1.146 175 Y HN 0.334 nan 8.280 nan 0.000 0.524 176 I N 1.982 122.537 120.570 -0.025 0.000 2.339 176 I HA 0.472 4.677 4.170 0.058 0.000 0.290 176 I C 0.041 176.222 176.117 0.106 0.000 0.994 176 I CA -1.319 60.019 61.300 0.062 0.000 1.191 176 I CB 0.708 38.702 38.000 -0.010 0.000 1.343 176 I HN -0.157 nan 8.210 nan 0.000 0.458 177 V N 3.473 123.508 119.914 0.201 0.000 3.181 177 V HA 0.700 4.854 4.120 0.058 0.000 0.308 177 V C -0.631 175.500 176.094 0.062 0.000 1.214 177 V CA -0.967 61.415 62.300 0.137 0.000 1.053 177 V CB 2.920 34.827 31.823 0.141 0.000 1.069 177 V HN 0.648 nan 8.190 nan 0.000 0.441 178 K N 0.170 120.485 120.400 -0.143 0.000 2.340 178 K HA 0.913 5.267 4.320 0.058 0.000 0.244 178 K C -0.212 176.317 176.600 -0.118 0.000 0.973 178 K CA -0.202 55.828 56.287 -0.429 0.000 0.828 178 K CB 2.216 34.275 32.500 -0.736 0.000 1.226 178 K HN 1.433 nan 8.250 nan 0.000 0.437 179 G N -0.225 108.488 108.800 -0.145 0.000 2.342 179 G HA2 0.467 4.461 3.960 0.058 0.000 0.297 179 G HA3 0.467 4.461 3.960 0.058 0.000 0.297 179 G C -1.485 173.516 174.900 0.169 0.000 1.313 179 G CA -0.434 44.757 45.100 0.152 0.000 0.830 179 G HN 0.638 nan 8.290 nan 0.000 0.506 180 A N -0.702 122.260 122.820 0.237 0.000 2.364 180 A HA 0.668 5.023 4.320 0.058 0.000 0.258 180 A C 0.209 177.993 177.584 0.334 0.000 1.131 180 A CA 0.631 52.779 52.037 0.185 0.000 0.800 180 A CB 0.297 19.386 19.000 0.148 0.000 1.086 180 A HN 1.863 nan 8.150 nan 0.000 0.508 181 H N -0.380 118.746 119.070 0.094 0.000 3.539 181 H HA 0.120 4.710 4.556 0.058 0.000 0.392 181 H C -0.469 174.841 175.328 -0.030 0.000 1.684 181 H CA -0.283 55.833 56.048 0.115 0.000 1.639 181 H CB 0.216 30.110 29.762 0.220 0.000 2.665 181 H HN 1.007 nan 8.280 nan 0.000 0.353 182 R N 2.259 122.525 120.500 -0.391 0.000 2.747 182 R HA 0.666 5.041 4.340 0.058 0.000 0.278 182 R C -0.681 175.562 176.300 -0.095 0.000 1.153 182 R CA -0.796 55.057 56.100 -0.411 0.000 1.206 182 R CB 0.945 30.745 30.300 -0.832 0.000 1.161 182 R HN 0.096 nan 8.270 nan 0.000 0.589 183 V N 0.411 120.321 119.914 -0.007 0.000 2.776 183 V HA 0.045 4.199 4.120 0.058 0.000 0.245 183 V C -0.736 175.491 176.094 0.222 0.000 1.802 183 V CA -0.674 61.729 62.300 0.172 0.000 0.847 183 V CB 1.674 33.706 31.823 0.349 0.000 1.304 183 V HN 0.838 nan 8.190 nan 0.000 0.487 184 R N 4.189 124.819 120.500 0.218 0.000 2.644 184 R HA 0.090 4.464 4.340 0.058 0.000 0.265 184 R C -0.557 175.938 176.300 0.324 0.000 0.985 184 R CA 0.741 57.005 56.100 0.273 0.000 1.097 184 R CB 0.446 30.876 30.300 0.217 0.000 0.931 184 R HN 0.654 nan 8.270 nan 0.000 0.419 185 W N 1.319 122.651 121.300 0.052 0.000 3.137 185 W HA 0.146 4.841 4.660 0.058 0.000 0.324 185 W C -1.696 174.819 176.519 -0.007 0.000 1.253 185 W CA -0.739 56.613 57.345 0.012 0.000 1.183 185 W CB 1.890 31.327 29.460 -0.038 0.000 1.424 185 W HN 0.475 nan 8.180 nan 0.000 0.566 186 D N 4.857 125.265 120.400 0.014 0.000 2.414 186 D HA 0.323 4.998 4.640 0.058 0.000 0.232 186 D C -1.422 175.016 176.300 0.230 0.000 1.070 186 D CA -2.262 51.782 54.000 0.074 0.000 0.839 186 D CB 2.276 43.050 40.800 -0.042 0.000 1.079 186 D HN -0.032 nan 8.370 nan 0.000 0.521 187 P HA -0.094 nan 4.420 nan 0.000 0.251 187 P C 1.337 178.769 177.300 0.220 0.000 1.251 187 P CA 0.192 63.485 63.100 0.323 0.000 0.763 187 P CB -0.089 31.748 31.700 0.228 0.000 1.067 188 V N -1.225 118.742 119.914 0.088 0.000 2.262 188 V HA -0.203 3.952 4.120 0.058 0.000 0.232 188 V C 1.935 178.041 176.094 0.020 0.000 1.009 188 V CA 2.106 64.377 62.300 -0.049 0.000 0.995 188 V CB -1.691 30.025 31.823 -0.178 0.000 0.646 188 V HN 0.039 nan 8.190 nan 0.000 0.472 189 V N 0.264 120.195 119.914 0.027 0.000 3.548 189 V HA 0.715 4.869 4.120 0.058 0.000 0.279 189 V C 0.729 176.905 176.094 0.136 0.000 1.446 189 V CA 0.518 62.855 62.300 0.062 0.000 1.023 189 V CB -0.074 31.756 31.823 0.013 0.000 0.820 189 V HN 1.403 nan 8.190 nan 0.000 0.438 190 G N 0.022 108.912 108.800 0.150 0.000 2.621 190 G HA2 0.397 4.392 3.960 0.058 0.000 0.355 190 G HA3 0.397 4.392 3.960 0.058 0.000 0.355 190 G C -0.556 174.235 174.900 -0.182 0.000 1.509 190 G CA 0.151 45.384 45.100 0.222 0.000 1.000 190 G HN 0.462 nan 8.290 nan 0.000 0.646 191 T N 2.978 117.059 114.554 -0.789 0.000 3.792 191 T HA 0.537 4.921 4.350 0.058 0.000 0.438 191 T C -3.248 170.727 174.700 -1.209 0.000 1.442 191 T CA -0.378 61.213 62.100 -0.847 0.000 1.117 191 T CB 1.936 70.573 68.868 -0.385 0.000 1.411 191 T HN 0.414 nan 8.240 nan 0.000 0.453 192 P HA 0.472 nan 4.420 nan 0.000 0.271 192 P C -0.920 176.273 177.300 -0.179 0.000 1.218 192 P CA -0.552 62.248 63.100 -0.499 0.000 0.780 192 P CB 0.439 31.989 31.700 -0.248 0.000 0.901 193 L N 2.646 123.860 121.223 -0.015 0.000 2.387 193 L HA 0.355 4.730 4.340 0.058 0.000 0.259 193 L C 1.325 178.271 176.870 0.127 0.000 1.050 193 L CA 0.242 55.143 54.840 0.102 0.000 0.922 193 L CB -0.019 42.098 42.059 0.097 0.000 1.280 193 L HN 0.464 nan 8.230 nan 0.000 0.449 194 G N 0.785 109.622 108.800 0.062 0.000 3.324 194 G HA2 0.050 4.045 3.960 0.058 0.000 0.232 194 G HA3 0.050 4.045 3.960 0.058 0.000 0.232 194 G C 0.160 174.956 174.900 -0.174 0.000 1.213 194 G CA -0.160 44.825 45.100 -0.191 0.000 1.637 194 G HN 0.749 nan 8.290 nan 0.000 0.572 195 D N -1.247 119.180 120.400 0.045 0.000 2.945 195 D HA -0.197 4.478 4.640 0.058 0.000 0.225 195 D C 0.817 177.195 176.300 0.131 0.000 1.158 195 D CA 1.740 55.778 54.000 0.062 0.000 0.805 195 D CB -1.743 39.069 40.800 0.020 0.000 1.098 195 D HN 0.931 nan 8.370 nan 0.000 0.426 196 H N -3.545 115.532 119.070 0.012 0.000 2.916 196 H HA 0.188 4.778 4.556 0.058 0.000 0.229 196 H C 0.984 176.316 175.328 0.008 0.000 0.917 196 H CA -0.197 55.857 56.048 0.011 0.000 1.048 196 H CB 0.246 30.017 29.762 0.015 0.000 1.417 196 H HN -0.085 nan 8.280 nan 0.000 0.445 197 D N 1.984 122.385 120.400 0.003 0.000 2.219 197 D HA -0.021 4.653 4.640 0.058 0.000 0.205 197 D C 0.312 176.598 176.300 -0.023 0.000 0.970 197 D CA 0.323 54.237 54.000 -0.143 0.000 0.851 197 D CB 0.141 40.851 40.800 -0.150 0.000 0.943 197 D HN 0.209 nan 8.370 nan 0.000 0.488 198 L N 1.428 122.669 121.223 0.030 0.000 2.667 198 L HA -0.068 4.306 4.340 0.058 0.000 0.278 198 L C 1.640 178.510 176.870 0.000 0.000 1.217 198 L CA 0.461 55.309 54.840 0.013 0.000 0.935 198 L CB 0.117 42.177 42.059 0.001 0.000 1.193 198 L HN -0.056 nan 8.230 nan 0.000 0.493 199 M N 1.849 121.448 119.600 -0.001 0.000 2.619 199 M HA 0.068 4.583 4.480 0.058 0.000 0.251 199 M C 0.349 176.643 176.300 -0.010 0.000 1.106 199 M CA 1.015 56.312 55.300 -0.006 0.000 1.086 199 M CB 0.171 32.772 32.600 0.001 0.000 1.465 199 M HN 0.737 nan 8.290 nan 0.000 0.506 200 E N -1.482 118.707 120.200 -0.017 0.000 2.388 200 E HA 0.332 4.717 4.350 0.058 0.000 0.280 200 E C -0.587 175.984 176.600 -0.048 0.000 1.019 200 E CA -0.040 56.345 56.400 -0.026 0.000 0.806 200 E CB 1.546 31.232 29.700 -0.022 0.000 1.246 200 E HN 0.238 nan 8.360 nan 0.000 0.443 201 G N 3.122 111.894 108.800 -0.048 0.000 2.121 201 G HA2 -0.271 3.723 3.960 0.058 0.000 0.237 201 G HA3 -0.271 3.723 3.960 0.058 0.000 0.237 201 G C 0.221 175.062 174.900 -0.098 0.000 0.628 201 G CA 1.137 46.196 45.100 -0.067 0.000 1.062 201 G HN 0.571 nan 8.290 nan 0.000 0.350 202 E N 0.613 120.774 120.200 -0.064 0.000 2.474 202 E HA 0.059 4.443 4.350 0.058 0.000 0.195 202 E C 0.746 177.312 176.600 -0.056 0.000 1.039 202 E CA 0.199 56.562 56.400 -0.062 0.000 0.881 202 E CB 0.384 30.076 29.700 -0.012 0.000 0.970 202 E HN 0.574 nan 8.360 nan 0.000 0.486 203 D N 0.671 121.038 120.400 -0.055 0.000 2.339 203 D HA -0.043 4.631 4.640 0.058 0.000 0.217 203 D C 0.362 176.633 176.300 -0.049 0.000 1.050 203 D CA 0.112 54.091 54.000 -0.035 0.000 0.856 203 D CB 0.490 41.278 40.800 -0.020 0.000 0.922 203 D HN 0.001 nan 8.370 nan 0.000 0.518 204 V N 0.597 120.447 119.914 -0.106 0.000 2.434 204 V HA 0.169 4.324 4.120 0.058 0.000 0.281 204 V C -1.966 174.103 176.094 -0.041 0.000 1.005 204 V CA -1.516 60.712 62.300 -0.120 0.000 1.089 204 V CB -0.527 31.112 31.823 -0.306 0.000 0.978 204 V HN -0.045 nan 8.190 nan 0.000 0.474 205 P HA 0.247 nan 4.420 nan 0.000 0.270 205 P C -0.375 177.003 177.300 0.131 0.000 1.223 205 P CA -0.397 62.737 63.100 0.057 0.000 0.785 205 P CB 0.933 32.652 31.700 0.031 0.000 0.923 206 I N 2.625 123.263 120.570 0.114 0.000 2.241 206 I HA 0.188 4.393 4.170 0.058 0.000 0.294 206 I C 0.862 177.019 176.117 0.066 0.000 1.145 206 I CA -0.487 60.888 61.300 0.125 0.000 1.261 206 I CB -0.869 37.177 38.000 0.077 0.000 1.475 206 I HN 0.239 nan 8.210 nan 0.000 0.533 207 L N 5.186 126.406 121.223 -0.005 0.000 2.452 207 L HA 0.133 4.508 4.340 0.058 0.000 0.267 207 L C 0.421 177.241 176.870 -0.084 0.000 1.188 207 L CA 0.071 54.827 54.840 -0.139 0.000 0.821 207 L CB 0.471 42.265 42.059 -0.441 0.000 1.102 207 L HN 0.380 nan 8.230 nan 0.000 0.470 208 D N 0.857 121.202 120.400 -0.092 0.000 3.035 208 D HA 0.155 4.829 4.640 0.058 0.000 0.290 208 D C -0.443 175.837 176.300 -0.034 0.000 1.360 208 D CA -0.122 53.840 54.000 -0.064 0.000 0.862 208 D CB -0.184 40.608 40.800 -0.015 0.000 1.078 208 D HN 0.230 nan 8.370 nan 0.000 0.487 209 Y N 1.412 121.678 120.300 -0.057 0.000 2.815 209 Y HA -0.074 4.511 4.550 0.058 0.000 0.346 209 Y C 1.402 177.246 175.900 -0.093 0.000 1.267 209 Y CA -0.568 57.497 58.100 -0.059 0.000 1.604 209 Y CB -0.093 38.341 38.460 -0.043 0.000 1.218 209 Y HN 0.176 nan 8.280 nan 0.000 0.527 210 I N 4.370 124.988 120.570 0.080 0.000 2.396 210 I HA 0.425 4.629 4.170 0.058 0.000 0.292 210 I C -0.117 175.993 176.117 -0.013 0.000 0.999 210 I CA -0.968 60.327 61.300 -0.007 0.000 1.310 210 I CB 1.124 39.111 38.000 -0.021 0.000 1.404 210 I HN 0.398 nan 8.210 nan 0.000 0.496 211 I N 4.362 124.905 120.570 -0.045 0.000 2.353 211 I HA 0.503 4.707 4.170 0.058 0.000 0.293 211 I C -0.709 175.349 176.117 -0.099 0.000 0.992 211 I CA -0.477 60.782 61.300 -0.069 0.000 1.268 211 I CB 1.349 39.291 38.000 -0.097 0.000 1.387 211 I HN 0.564 nan 8.210 nan 0.000 0.478 212 I N 6.779 127.318 120.570 -0.052 0.000 2.306 212 I HA 0.176 4.381 4.170 0.058 0.000 0.288 212 I C 0.281 176.357 176.117 -0.068 0.000 1.036 212 I CA -0.709 60.544 61.300 -0.079 0.000 1.221 212 I CB 1.163 39.141 38.000 -0.036 0.000 1.385 212 I HN 0.645 nan 8.210 nan 0.000 0.472 213 K N 6.288 126.565 120.400 -0.205 0.000 2.079 213 K HA 0.174 4.528 4.320 0.058 0.000 0.255 213 K C -0.644 175.987 176.600 0.051 0.000 1.114 213 K CA -0.032 56.145 56.287 -0.183 0.000 1.056 213 K CB -0.352 31.830 32.500 -0.530 0.000 1.176 213 K HN 0.185 nan 8.250 nan 0.000 0.353 214 F N 2.098 122.034 119.950 -0.023 0.000 2.450 214 F HA 0.045 4.606 4.527 0.058 0.000 0.339 214 F C 0.887 176.680 175.800 -0.012 0.000 1.146 214 F CA -0.029 57.957 58.000 -0.024 0.000 1.267 214 F CB 0.712 39.664 39.000 -0.079 0.000 1.178 214 F HN 0.439 nan 8.300 nan 0.000 0.585 215 E N 2.534 122.773 120.200 0.065 0.000 2.166 215 E HA 0.405 4.790 4.350 0.058 0.000 0.275 215 E C -1.154 175.405 176.600 -0.068 0.000 0.941 215 E CA -0.904 55.421 56.400 -0.126 0.000 0.784 215 E CB 2.035 31.616 29.700 -0.199 0.000 1.115 215 E HN 0.305 nan 8.360 nan 0.000 0.399 216 L N 3.489 124.644 121.223 -0.115 0.000 2.679 216 L HA 0.219 4.594 4.340 0.058 0.000 0.238 216 L C -0.294 176.530 176.870 -0.078 0.000 1.330 216 L CA -0.498 54.304 54.840 -0.064 0.000 0.935 216 L CB 0.077 42.105 42.059 -0.053 0.000 1.243 216 L HN 0.400 nan 8.230 nan 0.000 0.484 217 R N 1.173 121.623 120.500 -0.083 0.000 4.576 217 R HA 0.184 4.559 4.340 0.058 0.000 0.185 217 R C 0.056 176.329 176.300 -0.045 0.000 1.837 217 R CA -0.052 56.003 56.100 -0.075 0.000 1.520 217 R CB -0.600 29.651 30.300 -0.082 0.000 1.403 217 R HN 0.742 nan 8.270 nan 0.000 0.831 218 E N 0.951 121.132 120.200 -0.032 0.000 2.601 218 E HA 0.168 4.553 4.350 0.058 0.000 0.250 218 E C -0.231 176.361 176.600 -0.013 0.000 1.099 218 E CA -0.900 55.487 56.400 -0.022 0.000 0.968 218 E CB 0.511 30.202 29.700 -0.014 0.000 1.290 218 E HN 0.205 nan 8.360 nan 0.000 0.505 219 N N -1.093 117.603 118.700 -0.008 0.000 1.152 219 N HA -0.355 4.419 4.740 0.058 0.000 0.106 219 N C 1.141 176.650 175.510 -0.003 0.000 0.699 219 N CA 2.859 55.908 53.050 -0.001 0.000 0.823 219 N CB -1.257 37.237 38.487 0.012 0.000 1.072 219 N HN 0.737 nan 8.380 nan 0.000 0.686 220 G N -1.321 107.481 108.800 0.004 0.000 2.863 220 G HA2 -0.191 3.804 3.960 0.058 0.000 0.217 220 G HA3 -0.191 3.804 3.960 0.058 0.000 0.217 220 G C 0.341 175.240 174.900 -0.003 0.000 1.315 220 G CA 2.064 47.166 45.100 0.003 0.000 0.796 220 G HN 0.715 nan 8.290 nan 0.000 0.669 221 E N -1.884 118.315 120.200 -0.002 0.000 2.296 221 E HA 0.381 4.765 4.350 0.058 0.000 0.224 221 E C 0.356 176.939 176.600 -0.029 0.000 0.949 221 E CA -0.312 56.080 56.400 -0.014 0.000 0.879 221 E CB 0.433 30.130 29.700 -0.005 0.000 1.922 221 E HN 0.388 nan 8.360 nan 0.000 0.437 222 V N 0.001 119.884 119.914 -0.052 0.000 3.388 222 V HA 0.264 4.418 4.120 0.058 0.000 0.301 222 V C 0.783 176.823 176.094 -0.089 0.000 1.160 222 V CA -0.018 62.210 62.300 -0.120 0.000 1.277 222 V CB -0.026 31.702 31.823 -0.158 0.000 1.018 222 V HN 0.629 nan 8.190 nan 0.000 0.504 223 I N 1.696 122.144 120.570 -0.203 0.000 2.688 223 I HA 0.371 4.576 4.170 0.058 0.000 0.287 223 I C -1.768 174.253 176.117 -0.160 0.000 1.707 223 I CA -0.555 60.719 61.300 -0.044 0.000 1.043 223 I CB 1.437 39.467 38.000 0.049 0.000 1.540 223 I HN 0.774 nan 8.210 nan 0.000 0.463 224 Y N 6.522 126.845 120.300 0.038 0.000 2.387 224 Y HA 0.600 5.184 4.550 0.058 0.000 0.330 224 Y C -0.205 175.636 175.900 -0.100 0.000 1.133 224 Y CA -0.743 57.300 58.100 -0.095 0.000 1.152 224 Y CB 1.644 39.915 38.460 -0.315 0.000 1.215 224 Y HN 0.416 nan 8.280 nan 0.000 0.466 225 L N 6.298 127.568 121.223 0.078 0.000 2.502 225 L HA 0.462 4.837 4.340 0.058 0.000 0.247 225 L C -2.597 174.272 176.870 -0.003 0.000 1.180 225 L CA -2.222 52.625 54.840 0.011 0.000 0.956 225 L CB 0.650 42.687 42.059 -0.038 0.000 1.282 225 L HN 0.309 nan 8.230 nan 0.000 0.470 226 P HA 0.153 nan 4.420 nan 0.000 0.268 226 P C -0.495 176.763 177.300 -0.070 0.000 1.282 226 P CA 0.049 63.041 63.100 -0.180 0.000 0.880 226 P CB 0.864 32.245 31.700 -0.533 0.000 0.971 227 A N 4.153 126.976 122.820 0.005 0.000 2.316 227 A HA 0.636 4.991 4.320 0.058 0.000 0.284 227 A C 0.197 177.762 177.584 -0.031 0.000 1.115 227 A CA -0.568 51.447 52.037 -0.036 0.000 0.812 227 A CB 0.594 19.538 19.000 -0.092 0.000 1.064 227 A HN 0.563 nan 8.150 nan 0.000 0.489 228 A N 1.438 124.208 122.820 -0.084 0.000 2.287 228 A HA 0.699 5.054 4.320 0.058 0.000 0.317 228 A C -0.035 177.451 177.584 -0.164 0.000 1.220 228 A CA -0.186 51.787 52.037 -0.106 0.000 0.835 228 A CB 0.817 19.738 19.000 -0.131 0.000 1.180 228 A HN 1.142 nan 8.150 nan 0.000 0.500 229 T N 2.342 116.859 114.554 -0.061 0.000 2.912 229 T HA 0.464 4.849 4.350 0.058 0.000 0.299 229 T C 0.693 175.437 174.700 0.073 0.000 1.052 229 T CA -0.566 61.516 62.100 -0.030 0.000 0.996 229 T CB 0.707 69.583 68.868 0.012 0.000 1.070 229 T HN 0.802 nan 8.240 nan 0.000 0.465 230 L N 1.972 123.271 121.223 0.127 0.000 2.591 230 L HA 0.512 4.886 4.340 0.058 0.000 0.228 230 L C 0.736 177.636 176.870 0.050 0.000 1.133 230 L CA 0.061 54.987 54.840 0.143 0.000 0.880 230 L CB -0.299 41.859 42.059 0.165 0.000 1.033 230 L HN 0.372 nan 8.230 nan 0.000 0.450 231 R N 0.749 121.266 120.500 0.028 0.000 2.587 231 R HA 0.314 4.689 4.340 0.058 0.000 0.283 231 R C -2.029 174.312 176.300 0.068 0.000 1.472 231 R CA -1.688 54.441 56.100 0.048 0.000 1.578 231 R CB 0.734 31.043 30.300 0.014 0.000 1.130 231 R HN -0.040 nan 8.270 nan 0.000 0.602 232 P HA -0.217 nan 4.420 nan 0.000 0.220 232 P C 0.417 177.759 177.300 0.070 0.000 1.144 232 P CA 1.208 64.339 63.100 0.051 0.000 0.800 232 P CB 0.372 32.099 31.700 0.045 0.000 0.772 233 E N -1.125 119.138 120.200 0.106 0.000 2.208 233 E HA -0.129 4.256 4.350 0.058 0.000 0.193 233 E C 1.516 178.253 176.600 0.228 0.000 0.988 233 E CA 1.506 58.007 56.400 0.168 0.000 0.828 233 E CB -2.066 27.704 29.700 0.118 0.000 0.763 233 E HN 0.267 nan 8.360 nan 0.000 0.478 234 T N -0.103 114.552 114.554 0.169 0.000 3.098 234 T HA -0.104 4.281 4.350 0.058 0.000 0.266 234 T C 1.931 176.719 174.700 0.147 0.000 1.145 234 T CA 0.853 63.068 62.100 0.192 0.000 1.092 234 T CB -0.813 68.153 68.868 0.163 0.000 0.908 234 T HN 0.221 nan 8.240 nan 0.000 0.526 235 V N -0.701 119.246 119.914 0.055 0.000 2.252 235 V HA -0.265 3.889 4.120 0.058 0.000 0.249 235 V C 2.091 178.137 176.094 -0.080 0.000 1.056 235 V CA 1.310 63.563 62.300 -0.078 0.000 1.022 235 V CB -1.768 29.854 31.823 -0.336 0.000 0.641 235 V HN 0.507 nan 8.190 nan 0.000 0.445 236 Y N 2.190 122.551 120.300 0.101 0.000 2.716 236 Y HA 0.281 4.866 4.550 0.058 0.000 0.302 236 Y C 2.170 178.110 175.900 0.066 0.000 1.160 236 Y CA 0.647 58.789 58.100 0.070 0.000 1.362 236 Y CB -0.522 37.983 38.460 0.076 0.000 0.988 236 Y HN 0.445 nan 8.280 nan 0.000 0.546 237 G N -0.864 108.050 108.800 0.189 0.000 3.839 237 G HA2 0.156 4.151 3.960 0.058 0.000 0.286 237 G HA3 0.156 4.151 3.960 0.058 0.000 0.286 237 G C -0.564 174.375 174.900 0.065 0.000 1.005 237 G CA -0.176 45.001 45.100 0.129 0.000 0.824 237 G HN 0.069 nan 8.290 nan 0.000 0.489 238 V N 2.335 122.291 119.914 0.069 0.000 2.540 238 V HA 0.360 4.515 4.120 0.058 0.000 0.297 238 V C 1.475 177.546 176.094 -0.038 0.000 1.024 238 V CA 1.609 63.927 62.300 0.029 0.000 1.105 238 V CB 1.353 33.263 31.823 0.145 0.000 0.938 238 V HN 0.345 nan 8.190 nan 0.000 0.482 239 T N 2.578 117.057 114.554 -0.126 0.000 3.043 239 T HA 0.323 4.707 4.350 0.058 0.000 0.272 239 T C 0.114 174.661 174.700 -0.254 0.000 0.990 239 T CA 0.304 62.309 62.100 -0.157 0.000 0.897 239 T CB -0.525 68.258 68.868 -0.142 0.000 1.111 239 T HN 1.104 nan 8.240 nan 0.000 0.529 240 N N -0.611 117.883 118.700 -0.343 0.000 4.621 240 N HA 0.250 5.025 4.740 0.058 0.000 0.212 240 N C -1.534 173.627 175.510 -0.582 0.000 1.233 240 N CA -0.968 51.805 53.050 -0.461 0.000 0.792 240 N CB 0.112 38.288 38.487 -0.518 0.000 1.524 240 N HN -0.058 nan 8.380 nan 0.000 0.468 241 M N -0.425 118.827 119.600 -0.579 0.000 2.654 241 M HA 0.534 5.048 4.480 0.058 0.000 0.310 241 M C -1.075 174.963 176.300 -0.438 0.000 1.211 241 M CA -0.038 54.944 55.300 -0.530 0.000 0.947 241 M CB 1.003 33.310 32.600 -0.488 0.000 1.647 241 M HN 0.634 nan 8.290 nan 0.000 0.481 242 W N 1.484 122.614 121.300 -0.284 0.000 2.957 242 W HA 0.638 5.332 4.660 0.058 0.000 0.336 242 W C -0.686 175.655 176.519 -0.296 0.000 1.087 242 W CA -0.868 56.318 57.345 -0.265 0.000 1.235 242 W CB 1.322 30.625 29.460 -0.261 0.000 1.399 242 W HN 0.541 nan 8.180 nan 0.000 0.480 243 V N 0.644 120.551 119.914 -0.012 0.000 3.087 243 V HA 0.655 4.810 4.120 0.058 0.000 0.311 243 V C -1.295 174.761 176.094 -0.063 0.000 1.333 243 V CA -0.970 61.256 62.300 -0.123 0.000 1.054 243 V CB 2.238 33.845 31.823 -0.360 0.000 1.123 243 V HN 0.474 nan 8.190 nan 0.000 0.473 244 N N 0.464 119.211 118.700 0.078 0.000 2.504 244 N HA 0.539 5.314 4.740 0.058 0.000 0.280 244 N C -2.362 173.221 175.510 0.122 0.000 1.052 244 N CA -1.659 51.432 53.050 0.069 0.000 0.887 244 N CB 2.332 40.854 38.487 0.059 0.000 1.323 244 N HN 0.378 nan 8.380 nan 0.000 0.509 245 P HA -0.182 nan 4.420 nan 0.000 0.214 245 P C 1.393 178.735 177.300 0.070 0.000 1.163 245 P CA 1.176 64.304 63.100 0.045 0.000 0.889 245 P CB 0.305 32.017 31.700 0.019 0.000 0.790 246 N N 0.462 119.189 118.700 0.045 0.000 2.002 246 N HA -0.169 4.605 4.740 0.058 0.000 0.199 246 N C 0.655 176.190 175.510 0.043 0.000 1.060 246 N CA 1.507 54.577 53.050 0.033 0.000 0.867 246 N CB -0.918 37.575 38.487 0.009 0.000 1.069 246 N HN -0.051 nan 8.380 nan 0.000 0.430 247 A N 0.238 123.074 122.820 0.026 0.000 2.448 247 A HA 0.290 4.644 4.320 0.058 0.000 0.239 247 A C 0.636 178.243 177.584 0.037 0.000 1.080 247 A CA 0.517 52.536 52.037 -0.029 0.000 0.779 247 A CB -0.110 18.804 19.000 -0.143 0.000 1.026 247 A HN 0.690 nan 8.150 nan 0.000 0.499 248 T N -1.585 112.949 114.554 -0.033 0.000 2.936 248 T HA 0.753 5.137 4.350 0.058 0.000 0.282 248 T C -0.479 174.221 174.700 -0.000 0.000 1.003 248 T CA -0.248 61.920 62.100 0.115 0.000 1.005 248 T CB 0.665 69.583 68.868 0.084 0.000 1.097 248 T HN 0.545 nan 8.240 nan 0.000 0.532 249 Y N -1.167 119.236 120.300 0.172 0.000 2.974 249 Y HA 0.728 5.313 4.550 0.058 0.000 0.310 249 Y C -0.119 175.935 175.900 0.256 0.000 1.526 249 Y CA -0.903 57.323 58.100 0.211 0.000 1.087 249 Y CB 1.421 40.015 38.460 0.224 0.000 1.404 249 Y HN 0.806 nan 8.280 nan 0.000 0.491 250 V N -1.598 118.598 119.914 0.470 0.000 3.216 250 V HA 0.631 4.786 4.120 0.058 0.000 0.302 250 V C -1.527 174.723 176.094 0.261 0.000 1.286 250 V CA -1.387 61.034 62.300 0.201 0.000 1.048 250 V CB 2.017 33.888 31.823 0.080 0.000 1.081 250 V HN 0.689 nan 8.190 nan 0.000 0.442 251 K N 0.997 121.429 120.400 0.054 0.000 2.270 251 K HA 0.935 5.289 4.320 0.058 0.000 0.255 251 K C -0.694 175.948 176.600 0.069 0.000 0.936 251 K CA 0.070 56.441 56.287 0.140 0.000 0.809 251 K CB 1.899 34.439 32.500 0.067 0.000 1.131 251 K HN 1.716 nan 8.250 nan 0.000 0.427 252 A N 3.044 125.927 122.820 0.105 0.000 2.586 252 A HA 0.377 4.732 4.320 0.058 0.000 0.291 252 A C -1.735 175.857 177.584 0.014 0.000 1.062 252 A CA -0.993 51.065 52.037 0.035 0.000 0.666 252 A CB 1.030 20.034 19.000 0.006 0.000 1.281 252 A HN 0.687 nan 8.150 nan 0.000 0.421 253 K N 0.221 120.598 120.400 -0.038 0.000 2.144 253 K HA 0.607 4.962 4.320 0.058 0.000 0.270 253 K C -1.110 175.369 176.600 -0.202 0.000 1.005 253 K CA -0.503 55.737 56.287 -0.078 0.000 0.932 253 K CB 1.718 34.187 32.500 -0.051 0.000 1.021 253 K HN 0.343 nan 8.250 nan 0.000 0.462 254 V N 3.844 123.550 119.914 -0.346 0.000 2.419 254 V HA 0.278 4.433 4.120 0.058 0.000 0.287 254 V C -0.603 175.270 176.094 -0.368 0.000 1.017 254 V CA -0.886 61.097 62.300 -0.527 0.000 0.844 254 V CB 1.166 32.251 31.823 -1.230 0.000 1.011 254 V HN 0.706 nan 8.190 nan 0.000 0.429 255 R N 3.195 123.557 120.500 -0.230 0.000 2.474 255 R HA 0.794 5.168 4.340 0.058 0.000 0.295 255 R C -0.151 176.083 176.300 -0.109 0.000 0.980 255 R CA -0.782 55.237 56.100 -0.136 0.000 0.934 255 R CB 2.132 32.379 30.300 -0.088 0.000 1.101 255 R HN 0.538 nan 8.270 nan 0.000 0.469 256 R N 1.220 121.684 120.500 -0.060 0.000 3.006 256 R HA 0.290 4.665 4.340 0.058 0.000 0.150 256 R C 0.858 177.162 176.300 0.007 0.000 1.285 256 R CA -0.196 55.896 56.100 -0.014 0.000 0.813 256 R CB 0.052 30.356 30.300 0.007 0.000 1.582 256 R HN 0.456 nan 8.270 nan 0.000 0.441 257 K N 0.012 120.425 120.400 0.023 0.000 2.015 257 K HA -0.210 4.145 4.320 0.058 0.000 0.220 257 K C 0.889 177.481 176.600 -0.013 0.000 1.055 257 K CA 2.300 58.585 56.287 -0.004 0.000 0.951 257 K CB -0.080 32.415 32.500 -0.008 0.000 0.725 257 K HN 0.502 nan 8.250 nan 0.000 0.449 258 D N -0.849 119.547 120.400 -0.007 0.000 2.135 258 D HA -0.019 4.656 4.640 0.058 0.000 0.318 258 D C -0.229 176.070 176.300 -0.001 0.000 1.109 258 D CA -0.090 53.906 54.000 -0.007 0.000 0.952 258 D CB 0.416 41.212 40.800 -0.006 0.000 1.816 258 D HN -0.079 nan 8.370 nan 0.000 0.528 259 K N 1.874 122.278 120.400 0.008 0.000 2.530 259 K HA -0.085 4.270 4.320 0.058 0.000 0.280 259 K C -0.149 176.458 176.600 0.012 0.000 1.004 259 K CA 0.628 56.928 56.287 0.020 0.000 1.071 259 K CB 0.466 32.986 32.500 0.032 0.000 0.876 259 K HN 0.102 nan 8.250 nan 0.000 0.487 260 E N 3.480 123.695 120.200 0.025 0.000 2.222 260 E HA 0.215 4.600 4.350 0.058 0.000 0.267 260 E C -1.214 175.429 176.600 0.071 0.000 0.884 260 E CA -0.579 55.828 56.400 0.012 0.000 0.764 260 E CB 1.333 31.035 29.700 0.003 0.000 1.169 260 E HN 0.612 nan 8.360 nan 0.000 0.413 261 E N 1.228 121.469 120.200 0.070 0.000 2.431 261 E HA 0.459 4.844 4.350 0.058 0.000 0.268 261 E C -1.331 175.386 176.600 0.195 0.000 0.953 261 E CA -1.016 55.530 56.400 0.243 0.000 0.810 261 E CB 2.366 32.374 29.700 0.513 0.000 1.369 261 E HN 0.319 nan 8.360 nan 0.000 0.440 262 T N 1.006 115.813 114.554 0.422 0.000 2.847 262 T HA 0.373 4.758 4.350 0.058 0.000 0.291 262 T C -1.363 173.724 174.700 0.645 0.000 0.998 262 T CA -0.741 61.565 62.100 0.343 0.000 0.967 262 T CB 0.239 69.246 68.868 0.231 0.000 0.954 262 T HN 0.217 nan 8.240 nan 0.000 0.441 263 W N 2.233 123.619 121.300 0.144 0.000 2.647 263 W HA 0.707 5.401 4.660 0.058 0.000 0.353 263 W C -0.318 176.301 176.519 0.166 0.000 1.080 263 W CA -1.688 55.754 57.345 0.161 0.000 1.208 263 W CB 0.587 30.119 29.460 0.120 0.000 1.396 263 W HN 0.406 nan 8.180 nan 0.000 0.573 264 I N 3.550 124.364 120.570 0.406 0.000 2.466 264 I HA 0.327 4.531 4.170 0.058 0.000 0.279 264 I C -0.231 176.063 176.117 0.295 0.000 1.033 264 I CA -0.701 60.807 61.300 0.346 0.000 1.123 264 I CB 0.635 38.786 38.000 0.252 0.000 1.237 264 I HN 0.224 nan 8.210 nan 0.000 0.460 265 V N 1.545 121.681 119.914 0.370 0.000 3.103 265 V HA 0.581 4.736 4.120 0.058 0.000 0.311 265 V C 0.024 176.385 176.094 0.446 0.000 1.322 265 V CA -0.766 61.768 62.300 0.391 0.000 1.063 265 V CB 1.684 33.695 31.823 0.313 0.000 1.090 265 V HN 0.479 nan 8.190 nan 0.000 0.462 266 S N 0.708 116.582 115.700 0.290 0.000 2.549 266 S HA 0.132 4.637 4.470 0.058 0.000 0.286 266 S C 0.925 175.535 174.600 0.016 0.000 1.314 266 S CA 0.433 58.582 58.200 -0.085 0.000 1.062 266 S CB 0.670 63.745 63.200 -0.208 0.000 0.865 266 S HN 0.931 nan 8.310 nan 0.000 0.498 267 K N 2.497 122.876 120.400 -0.035 0.000 2.015 267 K HA -0.222 4.132 4.320 0.058 0.000 0.216 267 K C 2.134 178.766 176.600 0.053 0.000 1.052 267 K CA 1.894 58.190 56.287 0.014 0.000 0.937 267 K CB -0.203 32.283 32.500 -0.024 0.000 0.719 267 K HN 0.783 nan 8.250 nan 0.000 0.446 268 E N 0.485 120.710 120.200 0.042 0.000 2.118 268 E HA -0.218 4.167 4.350 0.058 0.000 0.195 268 E C 1.815 178.524 176.600 0.182 0.000 0.992 268 E CA 1.437 57.926 56.400 0.148 0.000 0.804 268 E CB -0.522 29.240 29.700 0.102 0.000 0.741 268 E HN 0.420 nan 8.360 nan 0.000 0.458 269 A N 1.684 124.567 122.820 0.104 0.000 2.070 269 A HA 0.084 4.439 4.320 0.058 0.000 0.220 269 A C 2.450 180.130 177.584 0.160 0.000 1.159 269 A CA 1.891 53.999 52.037 0.120 0.000 0.656 269 A CB -0.516 18.548 19.000 0.107 0.000 0.800 269 A HN 0.407 nan 8.150 nan 0.000 0.453 270 A N -1.243 121.674 122.820 0.162 0.000 1.854 270 A HA -0.050 4.304 4.320 0.058 0.000 0.214 270 A C 2.038 179.742 177.584 0.200 0.000 1.192 270 A CA 1.267 53.391 52.037 0.144 0.000 0.611 270 A CB -1.018 18.043 19.000 0.101 0.000 0.832 270 A HN 0.649 nan 8.150 nan 0.000 0.442 271 Y N 0.869 121.218 120.300 0.082 0.000 1.938 271 Y HA -0.416 4.168 4.550 0.058 0.000 0.253 271 Y C 2.522 178.643 175.900 0.368 0.000 1.163 271 Y CA 2.319 60.520 58.100 0.167 0.000 1.086 271 Y CB -0.261 38.309 38.460 0.184 0.000 0.928 271 Y HN 0.291 nan 8.280 nan 0.000 0.493 272 K N 0.190 120.766 120.400 0.293 0.000 2.077 272 K HA -0.267 4.088 4.320 0.058 0.000 0.213 272 K C 1.877 178.636 176.600 0.265 0.000 1.051 272 K CA 2.250 58.611 56.287 0.123 0.000 0.929 272 K CB -0.521 31.971 32.500 -0.013 0.000 0.715 272 K HN 0.415 nan 8.250 nan 0.000 0.451 273 L N 0.695 122.025 121.223 0.179 0.000 2.191 273 L HA -0.159 4.215 4.340 0.058 0.000 0.212 273 L C 2.627 179.527 176.870 0.050 0.000 1.103 273 L CA 0.802 55.706 54.840 0.107 0.000 0.769 273 L CB -0.439 41.671 42.059 0.085 0.000 0.908 273 L HN 0.227 nan 8.230 nan 0.000 0.438 274 S N -0.120 115.595 115.700 0.025 0.000 2.419 274 S HA -0.157 4.347 4.470 0.058 0.000 0.235 274 S C 1.751 176.186 174.600 -0.275 0.000 1.019 274 S CA 1.392 59.483 58.200 -0.180 0.000 0.982 274 S CB -0.202 62.817 63.200 -0.302 0.000 0.789 274 S HN 0.392 nan 8.310 nan 0.000 0.490 275 F N 1.076 120.939 119.950 -0.144 0.000 2.374 275 F HA 0.304 4.865 4.527 0.058 0.000 0.291 275 F C 2.201 177.868 175.800 -0.221 0.000 1.084 275 F CA 0.063 57.921 58.000 -0.235 0.000 1.413 275 F CB -0.675 38.124 39.000 -0.335 0.000 1.099 275 F HN 0.086 nan 8.300 nan 0.000 0.534 276 Q N 1.379 121.228 119.800 0.082 0.000 2.536 276 Q HA -0.166 4.208 4.340 0.058 0.000 0.207 276 Q C -0.337 175.645 176.000 -0.030 0.000 0.940 276 Q CA 1.115 56.934 55.803 0.025 0.000 1.020 276 Q CB -1.219 27.560 28.738 0.068 0.000 1.019 276 Q HN 0.445 nan 8.270 nan 0.000 0.554 277 D N 0.558 120.908 120.400 -0.084 0.000 2.737 277 D HA -0.169 4.506 4.640 0.058 0.000 0.243 277 D C -1.107 175.150 176.300 -0.072 0.000 1.109 277 D CA 0.666 54.594 54.000 -0.120 0.000 0.702 277 D CB -0.687 39.972 40.800 -0.236 0.000 1.068 277 D HN 0.515 nan 8.370 nan 0.000 0.432 278 R N 0.083 120.531 120.500 -0.087 0.000 2.560 278 R HA 0.349 4.724 4.340 0.058 0.000 0.267 278 R C -0.819 175.399 176.300 -0.137 0.000 1.150 278 R CA -0.991 55.040 56.100 -0.114 0.000 0.997 278 R CB 1.024 31.221 30.300 -0.171 0.000 1.250 278 R HN 0.203 nan 8.270 nan 0.000 0.433 279 E N 4.365 124.490 120.200 -0.125 0.000 2.324 279 E HA 0.169 4.554 4.350 0.058 0.000 0.271 279 E C -0.692 175.816 176.600 -0.154 0.000 1.028 279 E CA -0.254 56.071 56.400 -0.124 0.000 0.890 279 E CB 0.751 30.395 29.700 -0.094 0.000 1.004 279 E HN 0.509 nan 8.360 nan 0.000 0.431 280 I N 4.736 125.220 120.570 -0.144 0.000 2.464 280 I HA 0.144 4.349 4.170 0.058 0.000 0.277 280 I C -0.544 175.512 176.117 -0.101 0.000 1.040 280 I CA -0.568 60.647 61.300 -0.142 0.000 1.153 280 I CB 1.367 39.292 38.000 -0.125 0.000 1.274 280 I HN 0.470 nan 8.210 nan 0.000 0.469 281 E N 5.410 125.556 120.200 -0.092 0.000 2.089 281 E HA 0.312 4.697 4.350 0.058 0.000 0.284 281 E C -0.262 176.305 176.600 -0.054 0.000 1.023 281 E CA -0.378 55.981 56.400 -0.068 0.000 0.819 281 E CB 0.977 30.641 29.700 -0.060 0.000 1.076 281 E HN 0.307 nan 8.360 nan 0.000 0.396 282 V N 4.993 124.878 119.914 -0.049 0.000 3.625 282 V HA -0.066 4.089 4.120 0.058 0.000 0.302 282 V C 1.088 177.157 176.094 -0.041 0.000 1.112 282 V CA 0.197 62.473 62.300 -0.040 0.000 1.173 282 V CB 0.259 32.055 31.823 -0.046 0.000 1.096 282 V HN 0.761 nan 8.190 nan 0.000 0.486 283 I N -0.804 119.737 120.570 -0.049 0.000 4.977 283 I HA 0.281 4.486 4.170 0.058 0.000 0.316 283 I C 0.362 176.424 176.117 -0.092 0.000 1.152 283 I CA 0.458 61.726 61.300 -0.054 0.000 1.432 283 I CB 0.321 38.302 38.000 -0.031 0.000 1.711 283 I HN 0.816 nan 8.210 nan 0.000 0.519 284 E N 1.307 121.421 120.200 -0.144 0.000 2.354 284 E HA 0.371 4.755 4.350 0.058 0.000 0.283 284 E C -1.357 175.012 176.600 -0.386 0.000 0.938 284 E CA -0.269 55.978 56.400 -0.256 0.000 0.777 284 E CB 2.273 31.785 29.700 -0.312 0.000 1.222 284 E HN -0.038 nan 8.360 nan 0.000 0.423 285 E N 1.863 121.864 120.200 -0.332 0.000 2.248 285 E HA 0.469 4.854 4.350 0.058 0.000 0.272 285 E C -0.962 175.403 176.600 -0.391 0.000 1.008 285 E CA -0.246 55.996 56.400 -0.265 0.000 0.856 285 E CB 0.920 30.561 29.700 -0.098 0.000 1.120 285 E HN 0.225 nan 8.360 nan 0.000 0.397 286 F N 0.240 120.239 119.950 0.081 0.000 2.747 286 F HA 0.476 5.038 4.527 0.058 0.000 0.376 286 F C 1.260 177.107 175.800 0.078 0.000 1.256 286 F CA -0.636 57.411 58.000 0.078 0.000 1.121 286 F CB 0.686 39.743 39.000 0.095 0.000 1.654 286 F HN 0.243 nan 8.300 nan 0.000 0.491 287 K N -0.890 119.714 120.400 0.340 0.000 2.529 287 K HA 0.395 4.750 4.320 0.058 0.000 0.215 287 K C 0.579 177.289 176.600 0.184 0.000 1.286 287 K CA 0.535 56.938 56.287 0.194 0.000 0.997 287 K CB 1.981 34.561 32.500 0.134 0.000 1.063 287 K HN 0.846 nan 8.250 nan 0.000 0.590 288 G N 2.166 111.094 108.800 0.212 0.000 3.102 288 G HA2 -0.296 3.698 3.960 0.058 0.000 0.200 288 G HA3 -0.296 3.698 3.960 0.058 0.000 0.200 288 G C 0.850 175.742 174.900 -0.014 0.000 1.685 288 G CA 0.244 45.440 45.100 0.161 0.000 1.299 288 G HN 0.259 nan 8.290 nan 0.000 0.576 289 E N 2.224 122.426 120.200 0.002 0.000 2.418 289 E HA 0.012 4.397 4.350 0.058 0.000 0.197 289 E C 1.892 178.449 176.600 -0.073 0.000 1.026 289 E CA 1.244 57.622 56.400 -0.037 0.000 0.862 289 E CB -0.275 29.422 29.700 -0.004 0.000 0.799 289 E HN 0.531 nan 8.360 nan 0.000 0.518 290 K N 1.205 121.565 120.400 -0.066 0.000 2.000 290 K HA -0.111 4.244 4.320 0.058 0.000 0.218 290 K C 2.393 178.859 176.600 -0.222 0.000 1.053 290 K CA 1.495 57.726 56.287 -0.094 0.000 0.946 290 K CB -0.704 31.779 32.500 -0.027 0.000 0.723 290 K HN 0.277 nan 8.250 nan 0.000 0.446 291 L N 1.356 122.338 121.223 -0.403 0.000 2.189 291 L HA -0.159 4.216 4.340 0.058 0.000 0.214 291 L C 1.063 177.779 176.870 -0.257 0.000 1.097 291 L CA 0.318 54.903 54.840 -0.425 0.000 0.764 291 L CB -0.533 41.196 42.059 -0.551 0.000 0.900 291 L HN 0.129 nan 8.230 nan 0.000 0.436 292 I N 0.337 120.790 120.570 -0.194 0.000 2.752 292 I HA 0.037 4.242 4.170 0.058 0.000 0.287 292 I C 1.428 177.493 176.117 -0.086 0.000 1.188 292 I CA 1.427 62.648 61.300 -0.133 0.000 1.427 292 I CB 0.029 37.977 38.000 -0.086 0.000 1.365 292 I HN 0.350 nan 8.210 nan 0.000 0.585 293 G N 5.912 114.671 108.800 -0.068 0.000 3.642 293 G HA2 -0.229 3.766 3.960 0.058 0.000 0.205 293 G HA3 -0.229 3.766 3.960 0.058 0.000 0.205 293 G C 0.399 175.371 174.900 0.120 0.000 1.526 293 G CA -0.313 44.804 45.100 0.029 0.000 1.097 293 G HN 0.475 nan 8.290 nan 0.000 0.596 294 K N 1.009 121.442 120.400 0.055 0.000 2.552 294 K HA 0.431 4.785 4.320 0.058 0.000 0.276 294 K C -0.218 176.491 176.600 0.182 0.000 0.960 294 K CA 0.494 56.850 56.287 0.114 0.000 0.961 294 K CB -0.173 32.317 32.500 -0.016 0.000 0.902 294 K HN 0.412 nan 8.250 nan 0.000 0.515 295 Y N -0.770 119.476 120.300 -0.090 0.000 2.567 295 Y HA 0.573 5.158 4.550 0.058 0.000 0.333 295 Y C -0.203 175.653 175.900 -0.074 0.000 1.106 295 Y CA -1.307 56.741 58.100 -0.087 0.000 1.157 295 Y CB 1.586 40.004 38.460 -0.071 0.000 1.277 295 Y HN 0.241 nan 8.280 nan 0.000 0.490 296 V N -0.693 119.255 119.914 0.056 0.000 2.777 296 V HA 0.611 4.766 4.120 0.058 0.000 0.306 296 V C -0.886 175.295 176.094 0.144 0.000 1.112 296 V CA -1.579 60.763 62.300 0.069 0.000 0.917 296 V CB 1.743 33.584 31.823 0.031 0.000 1.018 296 V HN 0.692 nan 8.190 nan 0.000 0.426 297 R N 3.178 123.745 120.500 0.111 0.000 2.347 297 R HA 0.266 4.640 4.340 0.058 0.000 0.304 297 R C 0.351 176.680 176.300 0.049 0.000 1.072 297 R CA -0.333 55.812 56.100 0.076 0.000 0.980 297 R CB 0.463 30.764 30.300 0.002 0.000 0.986 297 R HN 0.877 nan 8.270 nan 0.000 0.448 298 N N 5.167 123.893 118.700 0.043 0.000 2.423 298 N HA -0.029 4.745 4.740 0.058 0.000 0.275 298 N C -1.800 173.498 175.510 -0.352 0.000 1.283 298 N CA -1.236 51.681 53.050 -0.222 0.000 0.932 298 N CB 1.014 39.496 38.487 -0.008 0.000 1.185 298 N HN 0.292 nan 8.380 nan 0.000 0.483 299 P HA -0.212 nan 4.420 nan 0.000 0.215 299 P C 1.630 178.784 177.300 -0.245 0.000 1.163 299 P CA 0.820 63.712 63.100 -0.348 0.000 0.894 299 P CB 0.254 31.711 31.700 -0.405 0.000 0.791 300 V N -0.303 119.429 119.914 -0.303 0.000 2.237 300 V HA -0.216 3.938 4.120 0.058 0.000 0.245 300 V C 1.870 177.892 176.094 -0.121 0.000 1.046 300 V CA 2.625 64.788 62.300 -0.229 0.000 1.007 300 V CB -1.144 30.435 31.823 -0.407 0.000 0.638 300 V HN 0.270 nan 8.190 nan 0.000 0.445 301 S N -0.475 115.153 115.700 -0.120 0.000 2.078 301 S HA 0.383 4.888 4.470 0.058 0.000 0.194 301 S C 1.316 175.902 174.600 -0.022 0.000 1.346 301 S CA 0.498 58.694 58.200 -0.007 0.000 1.309 301 S CB 0.188 63.403 63.200 0.025 0.000 0.721 301 S HN 0.788 nan 8.310 nan 0.000 0.396 302 G N 0.177 108.970 108.800 -0.011 0.000 2.371 302 G HA2 0.205 4.199 3.960 0.058 0.000 0.177 302 G HA3 0.205 4.199 3.960 0.058 0.000 0.177 302 G C -0.265 174.630 174.900 -0.008 0.000 1.427 302 G CA 0.332 45.423 45.100 -0.014 0.000 0.739 302 G HN 0.773 nan 8.290 nan 0.000 1.033 303 D N 0.709 121.111 120.400 0.003 0.000 2.325 303 D HA 0.353 5.028 4.640 0.058 0.000 0.237 303 D C 0.223 176.539 176.300 0.026 0.000 1.328 303 D CA 0.198 54.206 54.000 0.012 0.000 0.918 303 D CB 0.600 41.410 40.800 0.015 0.000 1.156 303 D HN 0.317 nan 8.370 nan 0.000 0.485 304 E N -1.872 118.352 120.200 0.040 0.000 2.423 304 E HA 0.627 5.011 4.350 0.058 0.000 0.269 304 E C -0.961 175.672 176.600 0.056 0.000 0.948 304 E CA -1.283 55.158 56.400 0.069 0.000 0.802 304 E CB 2.348 32.099 29.700 0.086 0.000 1.339 304 E HN 0.461 nan 8.360 nan 0.000 0.445 305 V N -2.099 117.833 119.914 0.031 0.000 3.216 305 V HA 0.575 4.730 4.120 0.058 0.000 0.302 305 V C -0.759 175.118 176.094 -0.361 0.000 1.286 305 V CA -1.095 61.130 62.300 -0.125 0.000 1.048 305 V CB 1.569 33.295 31.823 -0.162 0.000 1.081 305 V HN 0.801 nan 8.190 nan 0.000 0.442 306 I N 1.299 121.470 120.570 -0.666 0.000 2.664 306 I HA 0.571 4.775 4.170 0.058 0.000 0.308 306 I C -0.589 175.166 176.117 -0.604 0.000 0.984 306 I CA -1.105 59.549 61.300 -1.076 0.000 1.213 306 I CB 1.468 38.778 38.000 -1.151 0.000 1.379 306 I HN 0.708 nan 8.210 nan 0.000 0.501 307 I N 7.509 127.782 120.570 -0.495 0.000 2.287 307 I HA 0.217 4.422 4.170 0.058 0.000 0.290 307 I C -0.314 175.638 176.117 -0.275 0.000 1.069 307 I CA -0.337 60.752 61.300 -0.352 0.000 1.237 307 I CB 0.482 38.312 38.000 -0.285 0.000 1.418 307 I HN 0.406 nan 8.210 nan 0.000 0.481 308 L N 8.568 129.632 121.223 -0.264 0.000 2.399 308 L HA 0.493 4.868 4.340 0.058 0.000 0.266 308 L C -2.118 174.799 176.870 0.079 0.000 1.114 308 L CA -1.779 52.991 54.840 -0.116 0.000 0.804 308 L CB 0.863 42.824 42.059 -0.163 0.000 1.146 308 L HN 0.306 nan 8.230 nan 0.000 0.451 309 P HA 0.441 nan 4.420 nan 0.000 0.284 309 P C -1.302 176.090 177.300 0.154 0.000 1.258 309 P CA -0.292 62.860 63.100 0.087 0.000 0.824 309 P CB 2.195 33.913 31.700 0.030 0.000 1.038 310 A N 1.562 124.377 122.820 -0.007 0.000 2.588 310 A HA 0.564 4.919 4.320 0.058 0.000 0.290 310 A C 0.425 177.905 177.584 -0.172 0.000 1.136 310 A CA -0.464 51.472 52.037 -0.168 0.000 0.681 310 A CB 1.014 19.581 19.000 -0.722 0.000 1.282 310 A HN 0.527 nan 8.150 nan 0.000 0.421 311 E N -0.374 119.745 120.200 -0.135 0.000 2.421 311 E HA 0.030 4.415 4.350 0.058 0.000 0.209 311 E C 1.091 177.625 176.600 -0.110 0.000 0.871 311 E CA 0.994 57.344 56.400 -0.082 0.000 1.064 311 E CB -0.481 29.219 29.700 0.000 0.000 1.075 311 E HN 0.770 nan 8.360 nan 0.000 0.513 312 F N 3.053 122.838 119.950 -0.276 0.000 2.502 312 F HA 0.150 4.711 4.527 0.058 0.000 0.298 312 F C 1.022 176.593 175.800 -0.381 0.000 1.111 312 F CA -0.243 57.554 58.000 -0.338 0.000 1.445 312 F CB -0.856 37.854 39.000 -0.482 0.000 1.081 312 F HN -0.198 nan 8.300 nan 0.000 0.558 313 V N 1.154 120.496 119.914 -0.953 0.000 2.425 313 V HA 0.111 4.265 4.120 0.058 0.000 0.276 313 V C -0.373 175.520 176.094 -0.335 0.000 1.017 313 V CA -0.805 61.065 62.300 -0.717 0.000 1.062 313 V CB -0.222 31.202 31.823 -0.665 0.000 0.997 313 V HN 0.238 nan 8.190 nan 0.000 0.476 314 D N 6.008 126.256 120.400 -0.254 0.000 2.348 314 D HA 0.359 5.034 4.640 0.058 0.000 0.253 314 D C -1.628 174.590 176.300 -0.136 0.000 1.161 314 D CA -1.425 52.486 54.000 -0.149 0.000 0.876 314 D CB 2.009 42.752 40.800 -0.096 0.000 1.160 314 D HN 0.368 nan 8.370 nan 0.000 0.459 315 P HA -0.003 nan 4.420 nan 0.000 0.215 315 P C 0.303 177.547 177.300 -0.093 0.000 1.160 315 P CA 0.655 63.655 63.100 -0.166 0.000 0.869 315 P CB 0.277 31.846 31.700 -0.219 0.000 0.782 316 D N -1.349 119.022 120.400 -0.048 0.000 2.384 316 D HA -0.096 4.579 4.640 0.058 0.000 0.222 316 D C 0.569 176.883 176.300 0.024 0.000 0.976 316 D CA 0.753 54.757 54.000 0.007 0.000 0.915 316 D CB -0.779 40.040 40.800 0.031 0.000 0.896 316 D HN 0.225 nan 8.370 nan 0.000 0.523 317 N N -0.130 118.570 118.700 -0.000 0.000 2.485 317 N HA 0.351 5.125 4.740 0.058 0.000 0.243 317 N C 0.100 175.596 175.510 -0.025 0.000 0.987 317 N CA 0.043 53.108 53.050 0.026 0.000 0.940 317 N CB 0.390 38.883 38.487 0.011 0.000 1.122 317 N HN 0.054 nan 8.380 nan 0.000 0.509 318 A N 2.180 125.021 122.820 0.035 0.000 5.553 318 A HA -0.300 4.055 4.320 0.058 0.000 0.268 318 A C 1.291 178.884 177.584 0.015 0.000 2.171 318 A CA 1.143 53.186 52.037 0.011 0.000 0.714 318 A CB -2.091 16.815 19.000 -0.156 0.000 1.097 318 A HN 0.752 nan 8.150 nan 0.000 0.349 319 T N -2.469 112.089 114.554 0.006 0.000 3.067 319 T HA 0.490 4.875 4.350 0.058 0.000 0.257 319 T C 2.435 177.192 174.700 0.095 0.000 1.105 319 T CA 1.854 63.995 62.100 0.068 0.000 1.104 319 T CB 0.375 69.285 68.868 0.070 0.000 0.925 319 T HN 2.792 nan 8.240 nan 0.000 0.498 320 G N 1.355 110.171 108.800 0.027 0.000 2.420 320 G HA2 -0.281 3.713 3.960 0.058 0.000 0.221 320 G HA3 -0.281 3.713 3.960 0.058 0.000 0.221 320 G C 0.272 175.229 174.900 0.095 0.000 1.117 320 G CA 0.045 45.193 45.100 0.080 0.000 0.657 320 G HN 1.478 nan 8.290 nan 0.000 0.512 321 V N 0.579 120.548 119.914 0.093 0.000 2.479 321 V HA 0.683 4.837 4.120 0.058 0.000 0.281 321 V C 0.460 176.499 176.094 -0.092 0.000 1.031 321 V CA -0.623 61.653 62.300 -0.041 0.000 1.038 321 V CB 1.346 33.122 31.823 -0.078 0.000 0.981 321 V HN 0.852 nan 8.190 nan 0.000 0.478 322 V N 6.825 126.681 119.914 -0.097 0.000 2.409 322 V HA 0.435 4.590 4.120 0.058 0.000 0.291 322 V C 0.251 176.316 176.094 -0.049 0.000 1.020 322 V CA -0.674 61.587 62.300 -0.065 0.000 0.848 322 V CB 1.527 33.320 31.823 -0.049 0.000 0.990 322 V HN 1.105 nan 8.190 nan 0.000 0.430 323 M N 2.791 122.327 119.600 -0.107 0.000 2.227 323 M HA 0.477 4.992 4.480 0.058 0.000 0.349 323 M C 0.078 176.349 176.300 -0.049 0.000 1.443 323 M CA 0.674 55.850 55.300 -0.207 0.000 1.110 323 M CB 0.812 33.357 32.600 -0.091 0.000 1.773 323 M HN 0.576 nan 8.290 nan 0.000 0.463 324 S N 3.649 119.232 115.700 -0.195 0.000 2.499 324 S HA 0.582 5.087 4.470 0.058 0.000 0.279 324 S C -0.653 173.858 174.600 -0.147 0.000 1.219 324 S CA -0.663 57.401 58.200 -0.227 0.000 1.062 324 S CB 0.674 63.239 63.200 -1.058 0.000 0.978 324 S HN 0.696 nan 8.310 nan 0.000 0.489 325 V N 8.836 128.756 119.914 0.009 0.000 2.629 325 V HA 0.321 4.475 4.120 0.058 0.000 0.263 325 V C -1.703 174.432 176.094 0.068 0.000 0.959 325 V CA -1.060 61.258 62.300 0.031 0.000 0.869 325 V CB 1.661 33.547 31.823 0.105 0.000 1.060 325 V HN 0.762 nan 8.190 nan 0.000 0.474 326 P HA -0.081 nan 4.420 nan 0.000 0.226 326 P C 1.374 178.649 177.300 -0.041 0.000 1.153 326 P CA 1.162 64.293 63.100 0.052 0.000 0.777 326 P CB 0.542 32.274 31.700 0.053 0.000 0.794 327 A N -0.819 121.915 122.820 -0.142 0.000 2.131 327 A HA -0.165 4.190 4.320 0.058 0.000 0.220 327 A C 1.610 178.821 177.584 -0.622 0.000 1.158 327 A CA 1.415 53.226 52.037 -0.377 0.000 0.665 327 A CB -0.798 17.925 19.000 -0.463 0.000 0.795 327 A HN 0.301 nan 8.150 nan 0.000 0.460 328 H N -2.154 116.945 119.070 0.049 0.000 5.026 328 H HA 0.388 4.979 4.556 0.058 0.000 0.093 328 H C 1.076 176.434 175.328 0.049 0.000 1.280 328 H CA -0.072 56.004 56.048 0.047 0.000 0.638 328 H CB -0.852 28.952 29.762 0.070 0.000 1.496 328 H HN 0.309 nan 8.280 nan 0.000 0.131 329 A N 3.991 126.949 122.820 0.230 0.000 2.453 329 A HA -0.038 4.316 4.320 0.058 0.000 0.293 329 A C -1.591 176.073 177.584 0.134 0.000 1.022 329 A CA -0.277 51.855 52.037 0.159 0.000 1.078 329 A CB -0.867 18.240 19.000 0.179 0.000 0.846 329 A HN 0.291 nan 8.150 nan 0.000 0.473 330 P HA -0.175 nan 4.420 nan 0.000 0.223 330 P C 0.772 178.033 177.300 -0.065 0.000 1.140 330 P CA 1.066 64.152 63.100 -0.023 0.000 0.783 330 P CB 0.007 31.650 31.700 -0.094 0.000 0.759 331 F N -0.599 119.291 119.950 -0.100 0.000 2.780 331 F HA 0.018 4.580 4.527 0.058 0.000 0.299 331 F C 0.354 175.946 175.800 -0.346 0.000 1.146 331 F CA 0.366 58.169 58.000 -0.328 0.000 1.428 331 F CB -0.525 38.241 39.000 -0.390 0.000 1.115 331 F HN -0.201 nan 8.300 nan 0.000 0.583 332 D N -0.950 119.593 120.400 0.239 0.000 2.522 332 D HA 0.215 4.890 4.640 0.058 0.000 0.218 332 D C 0.354 176.920 176.300 0.444 0.000 1.149 332 D CA 0.493 54.822 54.000 0.549 0.000 0.981 332 D CB -0.084 40.999 40.800 0.471 0.000 1.041 332 D HN 0.254 nan 8.370 nan 0.000 0.518 333 H N -0.441 118.781 119.070 0.253 0.000 1.871 333 H HA -0.059 4.532 4.556 0.058 0.000 0.123 333 H C 0.534 175.906 175.328 0.073 0.000 0.996 333 H CA 0.263 56.401 56.048 0.150 0.000 0.450 333 H CB -0.592 29.205 29.762 0.058 0.000 0.548 333 H HN 0.133 nan 8.280 nan 0.000 0.257 334 V N 0.567 120.441 119.914 -0.066 0.000 2.244 334 V HA -0.087 4.068 4.120 0.058 0.000 0.244 334 V C 2.585 178.624 176.094 -0.091 0.000 1.042 334 V CA 2.209 64.419 62.300 -0.150 0.000 1.006 334 V CB -1.035 30.621 31.823 -0.279 0.000 0.641 334 V HN 0.533 nan 8.190 nan 0.000 0.446 335 A N -0.750 122.079 122.820 0.015 0.000 2.072 335 A HA 0.112 4.466 4.320 0.058 0.000 0.216 335 A C 2.154 179.813 177.584 0.124 0.000 1.156 335 A CA 0.649 52.748 52.037 0.105 0.000 0.701 335 A CB -0.393 18.724 19.000 0.196 0.000 0.816 335 A HN 0.472 nan 8.150 nan 0.000 0.458 336 L N -0.094 121.228 121.223 0.165 0.000 2.042 336 L HA -0.161 4.214 4.340 0.058 0.000 0.210 336 L C 1.589 178.403 176.870 -0.093 0.000 1.076 336 L CA 1.148 56.036 54.840 0.081 0.000 0.749 336 L CB -0.519 41.617 42.059 0.128 0.000 0.893 336 L HN 0.508 nan 8.230 nan 0.000 0.432 337 E N 2.011 122.024 120.200 -0.311 0.000 1.954 337 E HA -0.058 4.327 4.350 0.058 0.000 0.272 337 E C -0.509 176.042 176.600 -0.082 0.000 1.170 337 E CA -0.426 55.821 56.400 -0.255 0.000 1.101 337 E CB -0.297 29.209 29.700 -0.323 0.000 1.076 337 E HN 0.335 nan 8.360 nan 0.000 0.449 338 D N 2.640 123.024 120.400 -0.026 0.000 2.341 338 D HA 0.028 4.702 4.640 0.058 0.000 0.245 338 D C 0.927 177.232 176.300 0.007 0.000 1.106 338 D CA -0.383 53.620 54.000 0.006 0.000 0.905 338 D CB 1.006 41.821 40.800 0.025 0.000 1.202 338 D HN 0.252 nan 8.370 nan 0.000 0.426 339 L N -2.215 119.014 121.223 0.010 0.000 3.160 339 L HA 0.296 4.671 4.340 0.058 0.000 0.335 339 L C 0.308 177.185 176.870 0.012 0.000 1.008 339 L CA -0.086 54.760 54.840 0.010 0.000 1.459 339 L CB -1.465 40.598 42.059 0.006 0.000 2.451 339 L HN 0.272 nan 8.230 nan 0.000 0.588 340 K N 1.988 122.396 120.400 0.013 0.000 2.332 340 K HA 0.364 4.719 4.320 0.058 0.000 0.246 340 K C -0.218 176.392 176.600 0.015 0.000 1.066 340 K CA -0.436 55.859 56.287 0.014 0.000 0.898 340 K CB 0.431 32.940 32.500 0.015 0.000 1.192 340 K HN 0.119 nan 8.250 nan 0.000 0.509 341 R N 2.074 122.583 120.500 0.015 0.000 2.320 341 R HA 0.099 4.474 4.340 0.058 0.000 0.319 341 R C 0.349 176.659 176.300 0.016 0.000 0.969 341 R CA -0.414 55.695 56.100 0.015 0.000 0.857 341 R CB 0.987 31.295 30.300 0.013 0.000 1.160 341 R HN 0.750 nan 8.270 nan 0.000 0.491 342 E N 1.471 121.681 120.200 0.017 0.000 2.592 342 E HA 0.118 4.502 4.350 0.058 0.000 0.184 342 E C 0.200 176.810 176.600 0.016 0.000 1.056 342 E CA 0.583 56.993 56.400 0.017 0.000 1.151 342 E CB 0.225 29.936 29.700 0.019 0.000 1.435 342 E HN 0.395 nan 8.360 nan 0.000 0.496 343 T N -0.653 113.911 114.554 0.017 0.000 3.394 343 T HA 0.080 4.464 4.350 0.058 0.000 0.084 343 T C -0.985 173.728 174.700 0.021 0.000 0.601 343 T CA 0.084 62.194 62.100 0.017 0.000 0.581 343 T CB -0.623 68.255 68.868 0.015 0.000 0.981 343 T HN 0.134 nan 8.240 nan 0.000 0.209 344 E N 1.560 121.774 120.200 0.024 0.000 2.442 344 E HA 0.476 4.861 4.350 0.058 0.000 0.260 344 E C -0.025 176.597 176.600 0.036 0.000 1.148 344 E CA 0.035 56.454 56.400 0.032 0.000 0.976 344 E CB 0.772 30.495 29.700 0.039 0.000 0.967 344 E HN 0.673 nan 8.360 nan 0.000 0.454 345 I N -0.598 120.000 120.570 0.046 0.000 3.458 345 I HA 0.201 4.406 4.170 0.058 0.000 0.316 345 I C -1.491 174.679 176.117 0.087 0.000 1.202 345 I CA -1.211 60.124 61.300 0.057 0.000 0.929 345 I CB 1.169 39.198 38.000 0.048 0.000 1.340 345 I HN 0.312 nan 8.210 nan 0.000 0.481 346 L N 3.934 125.231 121.223 0.123 0.000 2.648 346 L HA -0.099 4.275 4.340 0.058 0.000 0.643 346 L C 0.034 177.043 176.870 0.231 0.000 1.007 346 L CA 1.385 56.371 54.840 0.244 0.000 1.346 346 L CB -0.747 41.454 42.059 0.237 0.000 1.929 346 L HN 0.900 nan 8.230 nan 0.000 0.915 347 E N 1.142 121.501 120.200 0.265 0.000 1.570 347 E HA -0.031 4.354 4.350 0.058 0.000 0.194 347 E C 0.832 177.500 176.600 0.113 0.000 0.858 347 E CA 0.554 56.972 56.400 0.029 0.000 1.097 347 E CB -0.211 29.480 29.700 -0.015 0.000 3.858 347 E HN 0.581 nan 8.360 nan 0.000 0.680 348 K N 0.806 121.359 120.400 0.256 0.000 2.442 348 K HA -0.108 4.246 4.320 0.058 0.000 0.200 348 K C 0.585 177.337 176.600 0.253 0.000 1.045 348 K CA 1.642 58.048 56.287 0.198 0.000 0.937 348 K CB -0.338 32.255 32.500 0.154 0.000 0.757 348 K HN 0.326 nan 8.250 nan 0.000 0.474 349 Y N 0.625 120.928 120.300 0.006 0.000 2.801 349 Y HA 0.226 4.811 4.550 0.058 0.000 0.318 349 Y C -0.621 175.278 175.900 -0.002 0.000 1.073 349 Y CA -2.548 55.554 58.100 0.003 0.000 1.360 349 Y CB -1.093 37.369 38.460 0.004 0.000 1.220 349 Y HN -0.086 nan 8.280 nan 0.000 0.536 350 D N 1.102 121.471 120.400 -0.052 0.000 2.312 350 D HA 0.144 4.818 4.640 0.058 0.000 0.252 350 D C 0.464 176.731 176.300 -0.054 0.000 1.150 350 D CA -0.327 53.602 54.000 -0.119 0.000 0.870 350 D CB 1.789 42.518 40.800 -0.118 0.000 1.153 350 D HN 0.298 nan 8.370 nan 0.000 0.457 351 I N 0.935 121.471 120.570 -0.058 0.000 3.141 351 I HA -0.174 4.031 4.170 0.058 0.000 0.295 351 I C 0.882 176.976 176.117 -0.039 0.000 1.252 351 I CA 1.071 62.350 61.300 -0.035 0.000 1.406 351 I CB 0.265 38.243 38.000 -0.036 0.000 1.333 351 I HN 0.467 nan 8.210 nan 0.000 0.594 352 D N 6.560 126.940 120.400 -0.034 0.000 2.412 352 D HA 0.301 4.976 4.640 0.058 0.000 0.276 352 D C -2.005 174.263 176.300 -0.053 0.000 1.196 352 D CA -1.373 52.599 54.000 -0.046 0.000 0.905 352 D CB 0.863 41.639 40.800 -0.041 0.000 1.081 352 D HN 0.261 nan 8.370 nan 0.000 0.502 353 P HA 0.206 nan 4.420 nan 0.000 0.285 353 P C -0.513 176.745 177.300 -0.071 0.000 1.282 353 P CA -0.200 62.873 63.100 -0.044 0.000 0.778 353 P CB 0.794 32.480 31.700 -0.023 0.000 1.222 354 R N -1.732 118.737 120.500 -0.052 0.000 2.764 354 R HA 0.423 4.798 4.340 0.058 0.000 0.250 354 R C -0.423 175.925 176.300 0.081 0.000 1.122 354 R CA -0.842 55.205 56.100 -0.090 0.000 1.022 354 R CB 0.092 30.294 30.300 -0.162 0.000 1.266 354 R HN 0.072 nan 8.270 nan 0.000 0.454 355 I N 1.583 122.379 120.570 0.376 0.000 3.503 355 I HA 0.490 4.695 4.170 0.058 0.000 0.240 355 I C 0.808 177.202 176.117 0.463 0.000 1.315 355 I CA -1.056 60.501 61.300 0.429 0.000 0.759 355 I CB 0.663 38.964 38.000 0.501 0.000 1.733 355 I HN 0.531 nan 8.210 nan 0.000 0.854 374 P HA 0.572 nan 4.420 nan 0.000 0.336 374 P C 0.691 178.042 177.300 0.085 0.000 1.435 374 P CA 0.661 63.845 63.100 0.140 0.000 0.860 374 P CB -0.005 31.771 31.700 0.128 0.000 2.095 375 A N -0.846 122.008 122.820 0.057 0.000 2.336 375 A HA 0.238 4.592 4.320 0.058 0.000 0.212 375 A C 0.865 178.456 177.584 0.012 0.000 2.317 375 A CA 0.390 52.453 52.037 0.044 0.000 1.564 375 A CB -0.800 18.218 19.000 0.029 0.000 1.096 375 A HN 0.334 nan 8.150 nan 0.000 0.441 376 V N 0.210 120.112 119.914 -0.021 0.000 2.428 376 V HA 0.128 4.283 4.120 0.058 0.000 0.297 376 V C 0.477 176.530 176.094 -0.067 0.000 1.731 376 V CA 0.180 62.441 62.300 -0.066 0.000 1.687 376 V CB -2.055 29.733 31.823 -0.059 0.000 1.394 376 V HN 0.556 nan 8.190 nan 0.000 0.474 377 E N 1.978 122.148 120.200 -0.050 0.000 3.414 377 E HA -0.222 4.163 4.350 0.058 0.000 0.300 377 E C 0.569 177.122 176.600 -0.078 0.000 0.862 377 E CA 1.510 57.879 56.400 -0.051 0.000 0.998 377 E CB 0.368 30.056 29.700 -0.020 0.000 0.990 377 E HN 0.888 nan 8.360 nan 0.000 0.516 378 E N 1.545 121.696 120.200 -0.081 0.000 1.624 378 E HA -0.077 4.308 4.350 0.058 0.000 0.181 378 E C 0.595 177.152 176.600 -0.072 0.000 0.783 378 E CA 0.782 57.117 56.400 -0.108 0.000 1.147 378 E CB -0.925 28.678 29.700 -0.163 0.000 3.415 378 E HN 0.298 nan 8.360 nan 0.000 0.588 379 V N -0.911 118.980 119.914 -0.039 0.000 3.623 379 V HA 0.293 4.447 4.120 0.058 0.000 0.271 379 V C 1.233 177.338 176.094 0.017 0.000 1.248 379 V CA 1.414 63.722 62.300 0.014 0.000 1.156 379 V CB -0.172 31.699 31.823 0.080 0.000 0.870 379 V HN 0.047 nan 8.190 nan 0.000 0.453 380 N N 0.011 118.683 118.700 -0.047 0.000 2.482 380 N HA 0.115 4.889 4.740 0.058 0.000 0.179 380 N C 1.692 177.169 175.510 -0.055 0.000 1.039 380 N CA 0.201 53.214 53.050 -0.061 0.000 0.884 380 N CB -0.109 38.294 38.487 -0.139 0.000 1.113 380 N HN 0.133 nan 8.380 nan 0.000 0.440 381 K N 0.751 121.109 120.400 -0.069 0.000 2.001 381 K HA 0.080 4.435 4.320 0.058 0.000 0.208 381 K C 1.150 177.721 176.600 -0.049 0.000 1.048 381 K CA 1.185 57.427 56.287 -0.075 0.000 0.932 381 K CB -0.330 32.123 32.500 -0.077 0.000 0.715 381 K HN 0.114 nan 8.250 nan 0.000 0.437 382 L N -0.376 120.825 121.223 -0.036 0.000 2.567 382 L HA 0.155 4.529 4.340 0.058 0.000 0.225 382 L C 1.868 178.736 176.870 -0.003 0.000 1.119 382 L CA 0.688 55.519 54.840 -0.015 0.000 0.871 382 L CB -0.294 41.758 42.059 -0.012 0.000 1.036 382 L HN 0.139 nan 8.230 nan 0.000 0.459 383 G N -0.553 108.248 108.800 0.002 0.000 2.776 383 G HA2 0.106 4.101 3.960 0.058 0.000 0.209 383 G HA3 0.106 4.101 3.960 0.058 0.000 0.209 383 G C 0.843 175.756 174.900 0.023 0.000 1.145 383 G CA 0.431 45.549 45.100 0.029 0.000 0.791 383 G HN 0.270 nan 8.290 nan 0.000 0.530 384 I N -2.161 118.411 120.570 0.002 0.000 4.162 384 I HA 0.427 4.631 4.170 0.058 0.000 0.236 384 I C -0.010 176.104 176.117 -0.006 0.000 1.052 384 I CA -1.014 60.284 61.300 -0.003 0.000 1.457 384 I CB 1.372 39.360 38.000 -0.020 0.000 1.329 384 I HN -0.278 nan 8.210 nan 0.000 0.422 385 K N 1.481 121.873 120.400 -0.013 0.000 2.762 385 K HA 0.333 4.688 4.320 0.058 0.000 0.180 385 K C -1.161 175.428 176.600 -0.019 0.000 1.067 385 K CA 0.070 56.351 56.287 -0.011 0.000 0.973 385 K CB 0.935 33.431 32.500 -0.006 0.000 1.290 385 K HN 0.484 nan 8.250 nan 0.000 0.604 386 S N 1.486 117.172 115.700 -0.024 0.000 2.449 386 S HA 0.199 4.703 4.470 0.058 0.000 0.310 386 S C 0.217 174.808 174.600 -0.016 0.000 1.096 386 S CA -0.451 57.728 58.200 -0.034 0.000 1.095 386 S CB 1.836 64.997 63.200 -0.065 0.000 1.007 386 S HN 0.643 nan 8.310 nan 0.000 0.474 387 Q N 3.973 123.764 119.800 -0.015 0.000 1.900 387 Q HA 0.377 4.752 4.340 0.058 0.000 0.322 387 Q C 1.560 177.553 176.000 -0.011 0.000 0.959 387 Q CA 0.688 56.488 55.803 -0.005 0.000 0.866 387 Q CB -0.125 28.611 28.738 -0.004 0.000 1.196 387 Q HN 0.591 nan 8.270 nan 0.000 0.458 388 K N -0.025 120.366 120.400 -0.015 0.000 2.878 388 K HA 0.101 4.456 4.320 0.058 0.000 0.204 388 K C -0.425 176.159 176.600 -0.026 0.000 1.093 388 K CA 0.421 56.695 56.287 -0.021 0.000 1.250 388 K CB -0.225 32.270 32.500 -0.010 0.000 1.692 388 K HN 0.341 nan 8.250 nan 0.000 0.470 389 D N 1.811 122.209 120.400 -0.004 0.000 2.461 389 D HA 0.182 4.856 4.640 0.058 0.000 0.240 389 D C -1.166 175.150 176.300 0.028 0.000 1.094 389 D CA -0.171 53.841 54.000 0.019 0.000 0.868 389 D CB 0.603 41.430 40.800 0.045 0.000 1.062 389 D HN 0.072 nan 8.370 nan 0.000 0.530 390 K N 2.589 122.997 120.400 0.013 0.000 2.443 390 K HA 0.151 4.506 4.320 0.058 0.000 0.252 390 K C 0.532 177.146 176.600 0.024 0.000 0.933 390 K CA -0.602 55.691 56.287 0.011 0.000 0.792 390 K CB 2.226 34.712 32.500 -0.022 0.000 1.185 390 K HN 0.402 nan 8.250 nan 0.000 0.425 391 E N 2.153 122.392 120.200 0.067 0.000 2.478 391 E HA -0.088 4.297 4.350 0.058 0.000 0.198 391 E C 0.538 177.159 176.600 0.034 0.000 1.046 391 E CA 0.748 57.211 56.400 0.106 0.000 0.870 391 E CB 0.360 30.121 29.700 0.101 0.000 0.818 391 E HN 0.308 nan 8.360 nan 0.000 0.527 392 K N 0.330 120.725 120.400 -0.008 0.000 2.442 392 K HA -0.157 4.198 4.320 0.058 0.000 0.199 392 K C 1.788 178.345 176.600 -0.072 0.000 1.044 392 K CA 0.466 56.736 56.287 -0.028 0.000 0.941 392 K CB -0.016 32.466 32.500 -0.030 0.000 0.759 392 K HN 0.223 nan 8.250 nan 0.000 0.472 393 L N 0.879 122.013 121.223 -0.149 0.000 2.509 393 L HA 0.039 4.414 4.340 0.058 0.000 0.222 393 L C 1.753 178.478 176.870 -0.241 0.000 1.123 393 L CA 1.095 55.762 54.840 -0.288 0.000 0.856 393 L CB -0.116 41.591 42.059 -0.588 0.000 0.985 393 L HN 0.046 nan 8.230 nan 0.000 0.456 394 E N -0.538 119.631 120.200 -0.052 0.000 2.448 394 E HA -0.274 4.111 4.350 0.058 0.000 0.203 394 E C 1.618 178.253 176.600 0.059 0.000 1.046 394 E CA 1.474 57.942 56.400 0.114 0.000 0.871 394 E CB 0.216 30.003 29.700 0.146 0.000 0.790 394 E HN 0.852 nan 8.360 nan 0.000 0.545 395 Q N -1.724 118.074 119.800 -0.004 0.000 2.581 395 Q HA 0.215 4.590 4.340 0.058 0.000 0.222 395 Q C 2.138 178.129 176.000 -0.014 0.000 0.904 395 Q CA 0.430 56.237 55.803 0.007 0.000 0.923 395 Q CB -0.246 28.497 28.738 0.007 0.000 1.117 395 Q HN 0.135 nan 8.270 nan 0.000 0.618 396 A N 1.227 124.013 122.820 -0.057 0.000 2.234 396 A HA -0.084 4.271 4.320 0.058 0.000 0.216 396 A C 1.827 179.364 177.584 -0.079 0.000 1.167 396 A CA 1.569 53.566 52.037 -0.067 0.000 0.698 396 A CB -0.788 18.156 19.000 -0.094 0.000 0.779 396 A HN 0.467 nan 8.150 nan 0.000 0.475 397 T N -1.135 113.368 114.554 -0.084 0.000 3.054 397 T HA 0.059 4.443 4.350 0.058 0.000 0.259 397 T C 1.595 176.308 174.700 0.021 0.000 1.092 397 T CA 1.093 63.162 62.100 -0.051 0.000 1.121 397 T CB 0.072 68.933 68.868 -0.011 0.000 0.912 397 T HN 0.479 nan 8.240 nan 0.000 0.489 398 K N 0.366 120.791 120.400 0.043 0.000 2.387 398 K HA 0.190 4.544 4.320 0.058 0.000 0.203 398 K C 1.420 178.093 176.600 0.121 0.000 1.030 398 K CA 0.078 56.424 56.287 0.098 0.000 1.099 398 K CB 0.525 33.087 32.500 0.103 0.000 0.863 398 K HN 0.105 nan 8.250 nan 0.000 0.529 399 T N 1.144 115.735 114.554 0.062 0.000 2.942 399 T HA -0.072 4.313 4.350 0.058 0.000 0.265 399 T C 1.761 176.485 174.700 0.039 0.000 1.062 399 T CA 0.940 63.069 62.100 0.047 0.000 1.139 399 T CB -0.047 68.832 68.868 0.018 0.000 0.883 399 T HN 0.312 nan 8.240 nan 0.000 0.468 400 I N -0.747 119.841 120.570 0.029 0.000 2.617 400 I HA 0.040 4.244 4.170 0.058 0.000 0.256 400 I C 2.135 178.290 176.117 0.063 0.000 1.167 400 I CA 0.952 62.258 61.300 0.010 0.000 1.469 400 I CB -0.902 37.094 38.000 -0.006 0.000 1.098 400 I HN 0.046 nan 8.210 nan 0.000 0.436 401 Y N 2.088 122.343 120.300 -0.075 0.000 2.315 401 Y HA -0.138 4.446 4.550 0.058 0.000 0.288 401 Y C 2.088 177.881 175.900 -0.178 0.000 1.154 401 Y CA 1.553 59.560 58.100 -0.155 0.000 1.229 401 Y CB -0.206 38.149 38.460 -0.175 0.000 0.980 401 Y HN 0.070 nan 8.280 nan 0.000 0.540 402 K N 0.019 120.361 120.400 -0.096 0.000 2.099 402 K HA 0.146 4.501 4.320 0.058 0.000 0.203 402 K C 2.383 179.019 176.600 0.061 0.000 1.047 402 K CA 0.960 57.208 56.287 -0.066 0.000 0.963 402 K CB -1.148 31.374 32.500 0.037 0.000 0.759 402 K HN 0.295 nan 8.250 nan 0.000 0.451 403 A N 2.380 125.234 122.820 0.058 0.000 1.859 403 A HA -0.196 4.158 4.320 0.058 0.000 0.218 403 A C 1.215 178.848 177.584 0.082 0.000 1.242 403 A CA 1.658 53.741 52.037 0.077 0.000 0.661 403 A CB -0.614 18.412 19.000 0.043 0.000 0.842 403 A HN 0.270 nan 8.150 nan 0.000 0.455 404 E N -1.132 119.099 120.200 0.052 0.000 2.705 404 E HA 0.146 4.531 4.350 0.058 0.000 0.272 404 E C 0.165 176.811 176.600 0.078 0.000 1.528 404 E CA 0.114 56.547 56.400 0.055 0.000 1.750 404 E CB -0.207 29.508 29.700 0.025 0.000 1.439 404 E HN 0.834 nan 8.360 nan 0.000 0.449 405 Y N -0.688 119.529 120.300 -0.139 0.000 2.697 405 Y HA -0.001 4.584 4.550 0.058 0.000 0.268 405 Y C 2.127 177.870 175.900 -0.263 0.000 1.092 405 Y CA -0.015 57.912 58.100 -0.288 0.000 1.304 405 Y CB 0.512 38.662 38.460 -0.517 0.000 1.446 405 Y HN 0.225 nan 8.280 nan 0.000 0.491 406 H N 0.419 119.445 119.070 -0.072 0.000 2.415 406 H HA 0.064 4.655 4.556 0.058 0.000 0.297 406 H C 0.453 175.748 175.328 -0.056 0.000 1.048 406 H CA 0.954 56.916 56.048 -0.143 0.000 1.365 406 H CB 0.263 29.957 29.762 -0.114 0.000 1.421 406 H HN 0.050 nan 8.280 nan 0.000 0.533 407 K N 0.961 121.430 120.400 0.115 0.000 2.360 407 K HA 0.337 4.691 4.320 0.058 0.000 0.235 407 K C -0.763 175.881 176.600 0.073 0.000 1.077 407 K CA -0.326 56.010 56.287 0.083 0.000 1.035 407 K CB 0.218 32.770 32.500 0.087 0.000 1.623 407 K HN 0.244 nan 8.250 nan 0.000 0.462 408 G N 5.456 114.294 108.800 0.063 0.000 2.378 408 G HA2 0.250 4.244 3.960 0.058 0.000 0.291 408 G HA3 0.250 4.244 3.960 0.058 0.000 0.291 408 G C -0.628 174.331 174.900 0.097 0.000 1.421 408 G CA -0.591 44.555 45.100 0.077 0.000 1.154 408 G HN 0.330 nan 8.290 nan 0.000 0.590 409 I N 1.773 122.408 120.570 0.108 0.000 2.638 409 I HA 0.334 4.539 4.170 0.058 0.000 0.286 409 I C -0.061 176.189 176.117 0.221 0.000 1.088 409 I CA -0.832 60.550 61.300 0.135 0.000 1.397 409 I CB 0.882 38.942 38.000 0.100 0.000 1.414 409 I HN 0.315 nan 8.210 nan 0.000 0.566 410 F N 6.077 126.055 119.950 0.046 0.000 2.408 410 F HA 0.426 4.987 4.527 0.058 0.000 0.344 410 F C 0.173 175.996 175.800 0.038 0.000 1.112 410 F CA -0.759 57.273 58.000 0.053 0.000 1.096 410 F CB 0.632 39.682 39.000 0.084 0.000 1.129 410 F HN 0.412 nan 8.300 nan 0.000 0.486 411 K N 6.939 127.105 120.400 -0.389 0.000 2.687 411 K HA 0.599 4.954 4.320 0.058 0.000 0.249 411 K C -2.121 174.134 176.600 -0.573 0.000 0.994 411 K CA -0.500 55.546 56.287 -0.402 0.000 0.913 411 K CB 1.239 33.650 32.500 -0.148 0.000 1.202 411 K HN 0.575 nan 8.250 nan 0.000 0.460 412 V N 0.867 120.344 119.914 -0.730 0.000 3.242 412 V HA 0.502 4.657 4.120 0.058 0.000 0.298 412 V C -2.519 173.296 176.094 -0.465 0.000 1.352 412 V CA -1.991 59.955 62.300 -0.589 0.000 1.052 412 V CB 1.604 32.956 31.823 -0.785 0.000 1.101 412 V HN 0.401 nan 8.190 nan 0.000 0.446 413 P HA -0.041 nan 4.420 nan 0.000 0.217 413 P C -1.964 175.145 177.300 -0.319 0.000 1.158 413 P CA 1.929 64.877 63.100 -0.254 0.000 0.887 413 P CB -1.225 30.370 31.700 -0.175 0.000 0.792 414 P HA 0.038 nan 4.420 nan 0.000 0.289 414 P C -0.542 176.453 177.300 -0.509 0.000 1.299 414 P CA -0.547 62.204 63.100 -0.582 0.000 0.766 414 P CB -0.298 30.797 31.700 -1.008 0.000 1.226 415 Y N -1.600 118.675 120.300 -0.041 0.000 3.199 415 Y HA -0.023 4.561 4.550 0.058 0.000 0.352 415 Y C 0.291 176.253 175.900 0.103 0.000 1.257 415 Y CA 0.139 58.263 58.100 0.040 0.000 1.562 415 Y CB -0.987 37.525 38.460 0.088 0.000 1.186 415 Y HN 0.363 nan 8.280 nan 0.000 0.628 416 E N 0.536 120.913 120.200 0.294 0.000 2.442 416 E HA 0.609 4.993 4.350 0.058 0.000 0.261 416 E C 0.665 177.417 176.600 0.253 0.000 0.935 416 E CA -0.831 55.718 56.400 0.250 0.000 0.856 416 E CB 1.607 31.292 29.700 -0.026 0.000 1.571 416 E HN 0.836 nan 8.360 nan 0.000 0.431 417 G N 0.267 109.194 108.800 0.211 0.000 3.586 417 G HA2 -0.239 3.756 3.960 0.058 0.000 0.212 417 G HA3 -0.239 3.756 3.960 0.058 0.000 0.212 417 G C -0.068 174.922 174.900 0.149 0.000 1.411 417 G CA 0.051 45.238 45.100 0.146 0.000 0.898 417 G HN 0.270 nan 8.290 nan 0.000 0.575 418 K N 2.852 123.338 120.400 0.143 0.000 2.402 418 K HA 0.254 4.609 4.320 0.058 0.000 0.265 418 K C -2.039 174.600 176.600 0.065 0.000 0.978 418 K CA -0.409 55.919 56.287 0.069 0.000 0.913 418 K CB -0.027 32.478 32.500 0.008 0.000 0.954 418 K HN 0.461 nan 8.250 nan 0.000 0.511 419 P HA 0.051 nan 4.420 nan 0.000 0.276 419 P C 0.951 178.217 177.300 -0.056 0.000 1.252 419 P CA -0.336 62.760 63.100 -0.008 0.000 0.802 419 P CB 0.578 32.259 31.700 -0.033 0.000 1.035 420 V N 1.585 121.481 119.914 -0.031 0.000 2.380 420 V HA -0.247 3.908 4.120 0.058 0.000 0.251 420 V C 2.156 178.229 176.094 -0.035 0.000 1.063 420 V CA 1.951 64.238 62.300 -0.021 0.000 1.055 420 V CB -1.500 30.381 31.823 0.095 0.000 0.657 420 V HN 0.583 nan 8.190 nan 0.000 0.455 421 Q N -0.503 119.222 119.800 -0.125 0.000 2.476 421 Q HA -0.059 4.316 4.340 0.058 0.000 0.215 421 Q C 1.497 177.433 176.000 -0.107 0.000 0.966 421 Q CA 0.465 56.165 55.803 -0.171 0.000 0.976 421 Q CB -0.042 28.476 28.738 -0.367 0.000 0.988 421 Q HN 0.709 nan 8.270 nan 0.000 0.526 422 E N -0.784 119.353 120.200 -0.106 0.000 2.406 422 E HA -0.057 4.327 4.350 0.058 0.000 0.204 422 E C 1.838 178.354 176.600 -0.141 0.000 0.820 422 E CA 0.744 57.073 56.400 -0.118 0.000 1.136 422 E CB 0.513 30.137 29.700 -0.126 0.000 1.129 422 E HN 0.279 nan 8.360 nan 0.000 0.530 423 V N 0.278 120.066 119.914 -0.209 0.000 2.591 423 V HA 0.022 4.176 4.120 0.058 0.000 0.249 423 V C 1.840 177.907 176.094 -0.046 0.000 1.053 423 V CA 1.346 63.531 62.300 -0.192 0.000 1.068 423 V CB -0.501 31.011 31.823 -0.517 0.000 0.689 423 V HN 0.005 nan 8.190 nan 0.000 0.462 424 K N 0.518 120.904 120.400 -0.024 0.000 2.668 424 K HA -0.025 4.330 4.320 0.058 0.000 0.204 424 K C 1.026 177.648 176.600 0.037 0.000 1.016 424 K CA 0.816 57.132 56.287 0.049 0.000 1.131 424 K CB 0.022 32.595 32.500 0.121 0.000 0.891 424 K HN 0.590 nan 8.250 nan 0.000 0.499 425 E N -1.874 118.328 120.200 0.004 0.000 2.749 425 E HA 0.181 4.566 4.350 0.058 0.000 0.157 425 E C -0.242 176.346 176.600 -0.020 0.000 0.887 425 E CA 0.310 56.709 56.400 -0.001 0.000 1.369 425 E CB 0.336 30.030 29.700 -0.010 0.000 1.005 425 E HN 0.195 nan 8.360 nan 0.000 0.469 426 A N -0.330 122.481 122.820 -0.014 0.000 2.141 426 A HA 0.393 4.748 4.320 0.058 0.000 0.201 426 A C 1.543 179.176 177.584 0.081 0.000 1.344 426 A CA 0.121 52.142 52.037 -0.028 0.000 0.971 426 A CB 0.076 18.983 19.000 -0.154 0.000 1.035 426 A HN 0.178 nan 8.150 nan 0.000 0.480 427 I N -0.329 120.312 120.570 0.119 0.000 2.499 427 I HA 0.001 4.205 4.170 0.058 0.000 0.243 427 I C 2.795 178.948 176.117 0.059 0.000 1.085 427 I CA 0.968 62.355 61.300 0.145 0.000 1.422 427 I CB -0.236 37.861 38.000 0.160 0.000 1.165 427 I HN 0.234 nan 8.210 nan 0.000 0.440 428 A N 1.807 124.651 122.820 0.040 0.000 2.024 428 A HA -0.243 4.112 4.320 0.058 0.000 0.220 428 A C 2.253 179.845 177.584 0.014 0.000 1.164 428 A CA 2.095 54.143 52.037 0.018 0.000 0.643 428 A CB -0.650 18.363 19.000 0.022 0.000 0.806 428 A HN 0.574 nan 8.150 nan 0.000 0.451 429 K N -0.646 119.767 120.400 0.021 0.000 2.116 429 K HA -0.059 4.296 4.320 0.058 0.000 0.203 429 K C 1.775 178.386 176.600 0.019 0.000 1.052 429 K CA 1.411 57.708 56.287 0.015 0.000 0.952 429 K CB -0.135 32.370 32.500 0.010 0.000 0.729 429 K HN 0.263 nan 8.250 nan 0.000 0.446 430 E N 1.612 121.832 120.200 0.033 0.000 2.033 430 E HA -0.050 4.335 4.350 0.058 0.000 0.189 430 E C 2.077 178.688 176.600 0.018 0.000 0.979 430 E CA 1.527 57.951 56.400 0.040 0.000 0.802 430 E CB -0.161 29.588 29.700 0.082 0.000 0.763 430 E HN 0.355 nan 8.360 nan 0.000 0.449 431 M N 0.043 119.644 119.600 0.002 0.000 2.065 431 M HA -0.170 4.345 4.480 0.058 0.000 0.259 431 M C 2.106 178.388 176.300 -0.031 0.000 1.069 431 M CA 1.268 56.549 55.300 -0.032 0.000 1.110 431 M CB -0.510 32.055 32.600 -0.058 0.000 1.328 431 M HN 0.152 nan 8.290 nan 0.000 0.405 432 L N 0.168 121.378 121.223 -0.022 0.000 2.081 432 L HA -0.212 4.162 4.340 0.058 0.000 0.212 432 L C 2.349 179.215 176.870 -0.006 0.000 1.080 432 L CA 1.866 56.696 54.840 -0.017 0.000 0.754 432 L CB -1.286 40.768 42.059 -0.009 0.000 0.893 432 L HN 0.332 nan 8.230 nan 0.000 0.433 433 E N 0.052 120.252 120.200 0.000 0.000 2.072 433 E HA -0.150 4.235 4.350 0.058 0.000 0.190 433 E C 1.952 178.555 176.600 0.005 0.000 0.982 433 E CA 1.071 57.475 56.400 0.007 0.000 0.803 433 E CB 0.016 29.724 29.700 0.013 0.000 0.755 433 E HN 0.183 nan 8.360 nan 0.000 0.453 434 K N -1.033 119.367 120.400 -0.000 0.000 2.437 434 K HA 0.104 4.458 4.320 0.058 0.000 0.198 434 K C 0.369 176.961 176.600 -0.014 0.000 1.024 434 K CA 0.493 56.779 56.287 -0.001 0.000 1.148 434 K CB 0.199 32.699 32.500 0.001 0.000 0.860 434 K HN 0.281 nan 8.250 nan 0.000 0.515 435 G N 1.762 110.549 108.800 -0.022 0.000 2.203 435 G HA2 -0.213 3.782 3.960 0.058 0.000 0.263 435 G HA3 -0.213 3.782 3.960 0.058 0.000 0.263 435 G C 0.485 175.336 174.900 -0.083 0.000 1.012 435 G CA 0.248 45.324 45.100 -0.040 0.000 0.749 435 G HN 0.308 nan 8.290 nan 0.000 0.512 436 I N -0.119 120.403 120.570 -0.081 0.000 3.684 436 I HA 0.512 4.716 4.170 0.058 0.000 0.304 436 I C 1.323 177.347 176.117 -0.155 0.000 1.278 436 I CA 0.857 62.090 61.300 -0.113 0.000 1.272 436 I CB -1.366 36.573 38.000 -0.101 0.000 1.029 436 I HN 0.775 nan 8.210 nan 0.000 0.458 437 A N 0.472 123.212 122.820 -0.133 0.000 2.594 437 A HA 0.708 5.063 4.320 0.058 0.000 0.296 437 A C -0.659 176.867 177.584 -0.097 0.000 1.056 437 A CA -0.634 51.322 52.037 -0.134 0.000 0.693 437 A CB 1.716 20.654 19.000 -0.103 0.000 1.278 437 A HN 0.159 nan 8.150 nan 0.000 0.408 438 E N 0.294 120.436 120.200 -0.096 0.000 2.410 438 E HA 0.629 5.014 4.350 0.058 0.000 0.269 438 E C -1.231 175.332 176.600 -0.061 0.000 0.937 438 E CA -0.844 55.531 56.400 -0.042 0.000 0.793 438 E CB 2.397 32.122 29.700 0.042 0.000 1.314 438 E HN 0.562 nan 8.360 nan 0.000 0.447 439 I N 1.786 122.303 120.570 -0.089 0.000 2.339 439 I HA 0.321 4.525 4.170 0.058 0.000 0.290 439 I C -0.188 175.771 176.117 -0.264 0.000 0.994 439 I CA -0.368 60.812 61.300 -0.199 0.000 1.191 439 I CB 1.053 38.857 38.000 -0.327 0.000 1.343 439 I HN 0.292 nan 8.210 nan 0.000 0.458 440 M N 6.890 126.374 119.600 -0.193 0.000 2.101 440 M HA 0.424 4.938 4.480 0.058 0.000 0.340 440 M C -1.550 174.646 176.300 -0.173 0.000 1.057 440 M CA -0.549 54.678 55.300 -0.121 0.000 0.984 440 M CB 0.918 33.530 32.600 0.021 0.000 1.560 440 M HN 0.389 nan 8.290 nan 0.000 0.435 441 Y N 3.187 123.478 120.300 -0.016 0.000 2.335 441 Y HA 0.427 5.012 4.550 0.058 0.000 0.331 441 Y C -0.056 175.759 175.900 -0.140 0.000 1.094 441 Y CA 0.127 58.181 58.100 -0.078 0.000 1.253 441 Y CB 0.669 39.062 38.460 -0.111 0.000 1.203 441 Y HN 0.614 nan 8.280 nan 0.000 0.508 442 E N 1.740 121.936 120.200 -0.006 0.000 2.363 442 E HA 0.404 4.789 4.350 0.058 0.000 0.281 442 E C -1.485 175.059 176.600 -0.093 0.000 0.953 442 E CA -0.794 55.529 56.400 -0.127 0.000 0.778 442 E CB 0.851 30.583 29.700 0.053 0.000 1.220 442 E HN 0.209 nan 8.360 nan 0.000 0.431 443 F N 1.429 121.387 119.950 0.013 0.000 2.586 443 F HA 0.269 4.831 4.527 0.058 0.000 0.335 443 F C 1.722 177.505 175.800 -0.028 0.000 1.210 443 F CA 0.693 58.686 58.000 -0.012 0.000 1.359 443 F CB 0.181 39.182 39.000 0.003 0.000 1.142 443 F HN 0.659 nan 8.300 nan 0.000 0.606 444 A N -0.550 122.386 122.820 0.194 0.000 2.081 444 A HA 0.136 4.491 4.320 0.058 0.000 0.214 444 A C 0.545 178.194 177.584 0.108 0.000 1.158 444 A CA 0.713 52.801 52.037 0.084 0.000 0.724 444 A CB -0.140 18.882 19.000 0.037 0.000 0.826 444 A HN 0.608 nan 8.150 nan 0.000 0.463 445 E N -1.621 118.647 120.200 0.113 0.000 2.445 445 E HA 0.411 4.795 4.350 0.058 0.000 0.273 445 E C -0.720 175.938 176.600 0.096 0.000 0.961 445 E CA -0.502 55.944 56.400 0.076 0.000 0.807 445 E CB 1.121 30.833 29.700 0.020 0.000 1.362 445 E HN 0.076 nan 8.360 nan 0.000 0.453 446 K N -0.242 120.200 120.400 0.071 0.000 2.361 446 K HA 0.062 4.417 4.320 0.058 0.000 0.194 446 K C 0.278 176.893 176.600 0.026 0.000 1.032 446 K CA 0.113 56.452 56.287 0.086 0.000 1.048 446 K CB -0.310 32.238 32.500 0.080 0.000 0.842 446 K HN 0.313 nan 8.250 nan 0.000 0.526 447 N N 0.882 119.569 118.700 -0.022 0.000 2.895 447 N HA 0.103 4.877 4.740 0.058 0.000 0.277 447 N C -1.036 174.403 175.510 -0.118 0.000 1.185 447 N CA -0.320 52.702 53.050 -0.046 0.000 1.106 447 N CB 0.510 38.977 38.487 -0.033 0.000 1.422 447 N HN -0.217 nan 8.380 nan 0.000 0.521 448 V N 1.780 121.615 119.914 -0.132 0.000 2.538 448 V HA 0.305 4.459 4.120 0.058 0.000 0.265 448 V C -0.466 175.587 176.094 -0.068 0.000 0.977 448 V CA -0.711 61.461 62.300 -0.214 0.000 0.852 448 V CB -0.128 31.332 31.823 -0.605 0.000 1.058 448 V HN 0.328 nan 8.190 nan 0.000 0.462 449 I N 2.687 123.239 120.570 -0.030 0.000 2.566 449 I HA 0.592 4.797 4.170 0.058 0.000 0.303 449 I C 1.063 177.197 176.117 0.028 0.000 0.983 449 I CA 0.343 61.655 61.300 0.019 0.000 1.235 449 I CB 1.965 39.980 38.000 0.026 0.000 1.386 449 I HN 0.667 nan 8.210 nan 0.000 0.494 450 S N 4.387 120.123 115.700 0.059 0.000 2.661 450 S HA 0.384 4.889 4.470 0.058 0.000 0.265 450 S C 1.207 175.844 174.600 0.062 0.000 1.225 450 S CA -0.420 57.817 58.200 0.062 0.000 0.986 450 S CB 0.746 63.993 63.200 0.079 0.000 1.008 450 S HN 0.677 nan 8.310 nan 0.000 0.565 451 R N -0.583 119.948 120.500 0.051 0.000 2.070 451 R HA -0.089 4.286 4.340 0.058 0.000 0.233 451 R C 2.079 178.426 176.300 0.079 0.000 1.137 451 R CA 1.477 57.595 56.100 0.029 0.000 0.945 451 R CB -0.648 29.643 30.300 -0.014 0.000 0.845 451 R HN 0.672 nan 8.270 nan 0.000 0.430 452 F N -0.807 119.126 119.950 -0.027 0.000 1.988 452 F HA -0.056 4.506 4.527 0.058 0.000 0.296 452 F C 1.718 177.516 175.800 -0.003 0.000 1.178 452 F CA 2.636 60.627 58.000 -0.014 0.000 1.174 452 F CB -0.263 38.734 39.000 -0.005 0.000 0.963 452 F HN 0.282 nan 8.300 nan 0.000 0.489 453 G N -1.764 107.302 108.800 0.443 0.000 4.452 453 G HA2 0.011 4.006 3.960 0.058 0.000 0.157 453 G HA3 0.011 4.006 3.960 0.058 0.000 0.157 453 G C -0.221 174.798 174.900 0.198 0.000 0.823 453 G CA -0.253 45.007 45.100 0.267 0.000 0.808 453 G HN 0.340 nan 8.290 nan 0.000 0.443 454 N N 0.860 119.671 118.700 0.184 0.000 2.231 454 N HA 0.335 5.110 4.740 0.058 0.000 0.223 454 N C 0.322 175.895 175.510 0.104 0.000 1.329 454 N CA 0.113 53.230 53.050 0.110 0.000 0.889 454 N CB 0.373 38.896 38.487 0.061 0.000 1.125 454 N HN 0.094 nan 8.380 nan 0.000 0.447 455 R N 0.666 121.228 120.500 0.103 0.000 2.368 455 R HA 0.519 4.894 4.340 0.058 0.000 0.302 455 R C -1.025 175.327 176.300 0.087 0.000 1.002 455 R CA -0.696 55.462 56.100 0.096 0.000 0.929 455 R CB 0.549 30.914 30.300 0.108 0.000 1.073 455 R HN 0.672 nan 8.270 nan 0.000 0.464 456 A N 3.985 126.874 122.820 0.115 0.000 2.425 456 A HA 0.402 4.757 4.320 0.058 0.000 0.249 456 A C 0.379 178.077 177.584 0.190 0.000 1.084 456 A CA -0.217 51.922 52.037 0.169 0.000 0.781 456 A CB 0.293 19.417 19.000 0.206 0.000 1.019 456 A HN 0.663 nan 8.150 nan 0.000 0.490 457 V N 0.490 120.396 119.914 -0.014 0.000 3.271 457 V HA 0.835 4.990 4.120 0.058 0.000 0.305 457 V C -0.294 175.624 176.094 -0.293 0.000 1.303 457 V CA -0.951 61.135 62.300 -0.355 0.000 1.038 457 V CB 1.241 32.505 31.823 -0.933 0.000 1.197 457 V HN 0.721 nan 8.190 nan 0.000 0.478 458 I N 0.669 120.965 120.570 -0.456 0.000 2.619 458 I HA 0.587 4.791 4.170 0.058 0.000 0.292 458 I C -0.765 175.165 176.117 -0.311 0.000 1.100 458 I CA -0.520 60.612 61.300 -0.280 0.000 1.043 458 I CB 2.197 40.014 38.000 -0.305 0.000 1.239 458 I HN 0.764 nan 8.210 nan 0.000 0.420 459 K N 4.950 125.190 120.400 -0.267 0.000 2.375 459 K HA 0.677 5.032 4.320 0.058 0.000 0.249 459 K C -1.582 174.887 176.600 -0.217 0.000 0.942 459 K CA -0.717 55.340 56.287 -0.384 0.000 0.806 459 K CB 2.122 34.015 32.500 -1.011 0.000 1.227 459 K HN 0.378 nan 8.250 nan 0.000 0.430 460 I N 3.801 124.257 120.570 -0.190 0.000 2.353 460 I HA 0.257 4.461 4.170 0.058 0.000 0.293 460 I C -0.368 175.674 176.117 -0.126 0.000 0.992 460 I CA -0.597 60.628 61.300 -0.125 0.000 1.268 460 I CB 1.338 39.264 38.000 -0.125 0.000 1.387 460 I HN 0.434 nan 8.210 nan 0.000 0.478 461 I N 6.355 126.918 120.570 -0.012 0.000 2.330 461 I HA 0.201 4.406 4.170 0.058 0.000 0.289 461 I C 1.264 177.380 176.117 -0.001 0.000 1.001 461 I CA -0.398 60.929 61.300 0.045 0.000 1.193 461 I CB 0.754 38.853 38.000 0.165 0.000 1.345 461 I HN 0.586 nan 8.210 nan 0.000 0.461 462 H N 3.894 122.967 119.070 0.006 0.000 2.261 462 H HA -0.103 4.488 4.556 0.058 0.000 0.301 462 H C 1.095 176.322 175.328 -0.168 0.000 1.067 462 H CA 2.021 58.039 56.048 -0.050 0.000 1.297 462 H CB 0.294 30.032 29.762 -0.039 0.000 1.377 462 H HN 0.537 nan 8.280 nan 0.000 0.492 463 D N 0.577 120.955 120.400 -0.038 0.000 2.120 463 D HA -0.169 4.506 4.640 0.058 0.000 0.191 463 D C 0.632 176.470 176.300 -0.770 0.000 0.994 463 D CA 1.316 55.079 54.000 -0.394 0.000 0.838 463 D CB -0.372 40.312 40.800 -0.194 0.000 0.976 463 D HN 0.132 nan 8.370 nan 0.000 0.447 464 Q N 0.164 119.579 119.800 -0.641 0.000 2.500 464 Q HA -0.204 4.171 4.340 0.058 0.000 0.205 464 Q C -1.481 173.772 176.000 -1.245 0.000 1.300 464 Q CA 0.281 55.560 55.803 -0.873 0.000 0.759 464 Q CB -1.068 27.352 28.738 -0.529 0.000 0.868 464 Q HN 0.257 nan 8.270 nan 0.000 0.309 465 W N 3.696 124.295 121.300 -1.168 0.000 2.148 465 W HA 0.384 5.078 4.660 0.058 0.000 0.347 465 W C 0.259 176.408 176.519 -0.616 0.000 1.288 465 W CA -0.132 56.772 57.345 -0.735 0.000 1.252 465 W CB 0.439 29.578 29.460 -0.535 0.000 1.156 465 W HN 0.482 nan 8.180 nan 0.000 0.580 466 F N 1.296 121.328 119.950 0.137 0.000 2.640 466 F HA 0.613 5.175 4.527 0.058 0.000 0.324 466 F C -0.270 175.552 175.800 0.037 0.000 1.077 466 F CA -1.980 56.055 58.000 0.058 0.000 0.965 466 F CB 0.964 39.976 39.000 0.021 0.000 1.351 466 F HN -0.071 nan 8.300 nan 0.000 0.487 467 I N 1.323 121.990 120.570 0.162 0.000 2.468 467 I HA 0.157 4.361 4.170 0.058 0.000 0.284 467 I C -1.180 174.783 176.117 -0.256 0.000 1.038 467 I CA -0.575 60.630 61.300 -0.158 0.000 1.083 467 I CB 1.525 39.233 38.000 -0.487 0.000 1.223 467 I HN 0.422 nan 8.210 nan 0.000 0.443 468 D N 6.126 126.479 120.400 -0.079 0.000 2.435 468 D HA 0.052 4.726 4.640 0.058 0.000 0.230 468 D C -0.143 176.144 176.300 -0.021 0.000 1.215 468 D CA 0.150 54.134 54.000 -0.026 0.000 0.947 468 D CB 0.225 41.082 40.800 0.094 0.000 1.048 468 D HN 0.234 nan 8.370 nan 0.000 0.512 469 Y N 1.815 122.015 120.300 -0.166 0.000 2.740 469 Y HA 0.322 4.907 4.550 0.058 0.000 0.356 469 Y C 1.675 177.330 175.900 -0.408 0.000 1.101 469 Y CA -0.375 57.322 58.100 -0.672 0.000 1.477 469 Y CB 0.641 38.583 38.460 -0.863 0.000 1.296 469 Y HN 0.484 nan 8.280 nan 0.000 0.507 470 G N -0.594 108.184 108.800 -0.036 0.000 2.853 470 G HA2 -0.149 3.846 3.960 0.058 0.000 0.202 470 G HA3 -0.149 3.846 3.960 0.058 0.000 0.202 470 G C 0.559 175.506 174.900 0.078 0.000 1.118 470 G CA -0.346 44.757 45.100 0.006 0.000 0.831 470 G HN 0.269 nan 8.290 nan 0.000 0.613 471 N N 2.366 121.167 118.700 0.168 0.000 2.106 471 N HA -0.044 4.731 4.740 0.058 0.000 0.284 471 N C -1.349 174.305 175.510 0.240 0.000 1.388 471 N CA -0.428 52.766 53.050 0.239 0.000 0.944 471 N CB 0.965 39.702 38.487 0.415 0.000 1.333 471 N HN 0.027 nan 8.380 nan 0.000 0.489 472 P HA -0.193 nan 4.420 nan 0.000 0.219 472 P C 0.964 178.351 177.300 0.144 0.000 1.144 472 P CA 1.276 64.443 63.100 0.111 0.000 0.806 472 P CB 0.107 31.842 31.700 0.059 0.000 0.771 473 E N -2.371 117.948 120.200 0.198 0.000 2.285 473 E HA -0.168 4.216 4.350 0.058 0.000 0.194 473 E C 1.687 178.473 176.600 0.310 0.000 0.997 473 E CA 0.378 56.900 56.400 0.202 0.000 0.845 473 E CB -0.790 29.016 29.700 0.177 0.000 0.782 473 E HN 0.239 nan 8.360 nan 0.000 0.491 474 W N 2.273 123.662 121.300 0.148 0.000 2.574 474 W HA 0.230 4.925 4.660 0.058 0.000 0.282 474 W C 1.785 178.399 176.519 0.158 0.000 1.197 474 W CA 0.445 57.867 57.345 0.129 0.000 1.376 474 W CB 0.037 29.499 29.460 0.003 0.000 1.091 474 W HN -0.143 nan 8.180 nan 0.000 0.569 475 K N 0.598 121.150 120.400 0.254 0.000 2.585 475 K HA -0.190 4.165 4.320 0.058 0.000 0.194 475 K C 1.541 178.117 176.600 -0.039 0.000 1.037 475 K CA 1.491 57.870 56.287 0.153 0.000 0.964 475 K CB 0.129 32.700 32.500 0.119 0.000 0.787 475 K HN 0.093 nan 8.250 nan 0.000 0.488 476 E N 0.254 120.452 120.200 -0.004 0.000 2.228 476 E HA -0.001 4.383 4.350 0.058 0.000 0.197 476 E C 1.454 178.012 176.600 -0.071 0.000 0.909 476 E CA 0.757 57.132 56.400 -0.041 0.000 0.911 476 E CB 0.082 29.793 29.700 0.018 0.000 0.887 476 E HN 0.040 nan 8.360 nan 0.000 0.481 477 K N 0.292 120.695 120.400 0.005 0.000 2.059 477 K HA -0.210 4.145 4.320 0.058 0.000 0.212 477 K C 1.939 178.355 176.600 -0.307 0.000 1.050 477 K CA 1.599 57.885 56.287 -0.001 0.000 0.927 477 K CB -0.293 32.319 32.500 0.187 0.000 0.714 477 K HN 0.221 nan 8.250 nan 0.000 0.447 478 A N 1.020 123.544 122.820 -0.493 0.000 1.824 478 A HA -0.206 4.149 4.320 0.058 0.000 0.215 478 A C 2.035 179.268 177.584 -0.585 0.000 1.209 478 A CA 1.726 53.257 52.037 -0.843 0.000 0.614 478 A CB -0.806 17.211 19.000 -1.637 0.000 0.852 478 A HN 0.331 nan 8.150 nan 0.000 0.447 479 R N -0.222 119.997 120.500 -0.468 0.000 2.174 479 R HA -0.231 4.143 4.340 0.058 0.000 0.253 479 R C 2.197 178.373 176.300 -0.208 0.000 1.165 479 R CA 2.074 57.994 56.100 -0.301 0.000 0.984 479 R CB -0.237 29.930 30.300 -0.221 0.000 0.873 479 R HN 0.606 nan 8.270 nan 0.000 0.456 480 K N -0.813 119.487 120.400 -0.167 0.000 2.288 480 K HA -0.055 4.299 4.320 0.058 0.000 0.201 480 K C 1.574 178.180 176.600 0.010 0.000 1.048 480 K CA 1.010 57.271 56.287 -0.043 0.000 0.956 480 K CB 0.108 32.638 32.500 0.050 0.000 0.746 480 K HN 0.232 nan 8.250 nan 0.000 0.461 481 A N 1.391 124.132 122.820 -0.131 0.000 1.859 481 A HA -0.020 4.335 4.320 0.058 0.000 0.212 481 A C 1.942 179.436 177.584 -0.149 0.000 1.238 481 A CA 0.444 52.434 52.037 -0.080 0.000 0.613 481 A CB -0.788 17.923 19.000 -0.483 0.000 0.904 481 A HN 0.348 nan 8.150 nan 0.000 0.457 482 L N 0.696 121.763 121.223 -0.260 0.000 2.198 482 L HA -0.336 4.039 4.340 0.058 0.000 0.218 482 L C 2.509 179.263 176.870 -0.194 0.000 1.084 482 L CA 2.674 57.370 54.840 -0.241 0.000 0.779 482 L CB -0.403 41.522 42.059 -0.223 0.000 0.890 482 L HN 0.752 nan 8.230 nan 0.000 0.439 483 E N -0.732 119.380 120.200 -0.147 0.000 2.285 483 E HA -0.213 4.171 4.350 0.058 0.000 0.194 483 E C 1.897 178.431 176.600 -0.110 0.000 0.997 483 E CA 0.619 56.947 56.400 -0.121 0.000 0.845 483 E CB -0.178 29.467 29.700 -0.091 0.000 0.782 483 E HN 0.584 nan 8.360 nan 0.000 0.491 484 R N -0.034 120.410 120.500 -0.093 0.000 2.276 484 R HA 0.229 4.604 4.340 0.058 0.000 0.196 484 R C 1.235 177.452 176.300 -0.139 0.000 0.961 484 R CA 0.165 56.216 56.100 -0.081 0.000 1.024 484 R CB 0.018 30.312 30.300 -0.010 0.000 0.940 484 R HN 0.187 nan 8.270 nan 0.000 0.480 485 M N 0.398 119.884 119.600 -0.190 0.000 1.898 485 M HA 0.192 4.707 4.480 0.058 0.000 0.191 485 M C 0.020 176.134 176.300 -0.309 0.000 1.181 485 M CA -0.025 55.107 55.300 -0.279 0.000 0.990 485 M CB 0.412 32.818 32.600 -0.324 0.000 1.143 485 M HN -0.273 nan 8.290 nan 0.000 0.540 486 K N 0.512 120.665 120.400 -0.411 0.000 2.468 486 K HA 0.558 4.913 4.320 0.058 0.000 0.252 486 K C -1.870 174.501 176.600 -0.382 0.000 0.932 486 K CA -0.450 55.603 56.287 -0.389 0.000 0.794 486 K CB 1.490 33.682 32.500 -0.513 0.000 1.241 486 K HN 0.444 nan 8.250 nan 0.000 0.428 487 I N 4.948 125.343 120.570 -0.291 0.000 2.603 487 I HA 0.476 4.681 4.170 0.058 0.000 0.300 487 I C -0.867 175.117 176.117 -0.222 0.000 1.017 487 I CA -0.944 60.165 61.300 -0.318 0.000 1.098 487 I CB 1.664 39.415 38.000 -0.415 0.000 1.279 487 I HN 0.633 nan 8.210 nan 0.000 0.437 488 L N 6.699 127.779 121.223 -0.239 0.000 2.528 488 L HA 0.377 4.752 4.340 0.058 0.000 0.267 488 L C -2.337 174.335 176.870 -0.329 0.000 0.961 488 L CA -1.433 53.212 54.840 -0.324 0.000 0.866 488 L CB 2.977 44.852 42.059 -0.307 0.000 1.248 488 L HN 0.308 nan 8.230 nan 0.000 0.404 489 P HA -0.015 nan 4.420 nan 0.000 0.274 489 P C -0.055 177.033 177.300 -0.353 0.000 1.264 489 P CA -0.060 62.662 63.100 -0.630 0.000 0.795 489 P CB 1.151 32.573 31.700 -0.464 0.000 1.064 490 E N -0.371 119.661 120.200 -0.280 0.000 2.385 490 E HA -0.064 4.321 4.350 0.058 0.000 0.194 490 E C 1.380 177.888 176.600 -0.154 0.000 1.013 490 E CA 0.879 57.161 56.400 -0.196 0.000 0.866 490 E CB -1.129 28.482 29.700 -0.148 0.000 0.832 490 E HN 0.460 nan 8.360 nan 0.000 0.500 491 T N -1.815 112.655 114.554 -0.140 0.000 3.400 491 T HA 0.108 4.492 4.350 0.058 0.000 0.254 491 T C 1.340 175.993 174.700 -0.077 0.000 1.153 491 T CA -0.007 62.037 62.100 -0.094 0.000 1.012 491 T CB -0.095 68.726 68.868 -0.079 0.000 0.994 491 T HN -0.043 nan 8.240 nan 0.000 0.555 492 R N -0.193 120.246 120.500 -0.101 0.000 2.404 492 R HA 0.311 4.686 4.340 0.058 0.000 0.237 492 R C 2.196 178.470 176.300 -0.042 0.000 0.907 492 R CA -0.125 55.946 56.100 -0.048 0.000 1.063 492 R CB -0.066 30.197 30.300 -0.062 0.000 1.134 492 R HN 0.285 nan 8.270 nan 0.000 0.529 493 R N 1.961 122.392 120.500 -0.115 0.000 2.113 493 R HA -0.143 4.232 4.340 0.058 0.000 0.244 493 R C 1.819 178.104 176.300 -0.024 0.000 1.142 493 R CA 2.173 58.201 56.100 -0.121 0.000 0.953 493 R CB -0.714 29.511 30.300 -0.125 0.000 0.860 493 R HN 0.157 nan 8.270 nan 0.000 0.438 494 A N 0.393 123.203 122.820 -0.015 0.000 1.849 494 A HA -0.366 3.989 4.320 0.058 0.000 0.216 494 A C 2.111 179.721 177.584 0.045 0.000 1.225 494 A CA 2.197 54.237 52.037 0.005 0.000 0.653 494 A CB -1.389 17.612 19.000 0.002 0.000 0.844 494 A HN 0.668 nan 8.150 nan 0.000 0.453 495 Q N -1.794 118.045 119.800 0.064 0.000 2.207 495 Q HA -0.286 4.088 4.340 0.058 0.000 0.215 495 Q C 1.785 177.818 176.000 0.056 0.000 1.006 495 Q CA 2.610 58.454 55.803 0.069 0.000 0.903 495 Q CB -0.364 28.423 28.738 0.082 0.000 0.947 495 Q HN 0.608 nan 8.270 nan 0.000 0.414 496 F N 0.661 120.548 119.950 -0.106 0.000 2.031 496 F HA -0.156 4.406 4.527 0.058 0.000 0.295 496 F C 2.281 177.982 175.800 -0.166 0.000 1.133 496 F CA 1.916 59.828 58.000 -0.147 0.000 1.188 496 F CB -0.587 38.310 39.000 -0.171 0.000 0.974 496 F HN 0.186 nan 8.300 nan 0.000 0.473 497 E N 0.014 120.233 120.200 0.032 0.000 2.035 497 E HA -0.323 4.062 4.350 0.058 0.000 0.204 497 E C 2.299 178.819 176.600 -0.133 0.000 1.025 497 E CA 1.543 57.892 56.400 -0.084 0.000 0.835 497 E CB -0.624 29.029 29.700 -0.079 0.000 0.764 497 E HN 0.363 nan 8.360 nan 0.000 0.457 498 A N 0.416 123.187 122.820 -0.082 0.000 2.009 498 A HA -0.252 4.103 4.320 0.058 0.000 0.222 498 A C 2.112 179.646 177.584 -0.083 0.000 1.175 498 A CA 1.651 53.649 52.037 -0.066 0.000 0.651 498 A CB -0.513 18.534 19.000 0.079 0.000 0.815 498 A HN 0.202 nan 8.150 nan 0.000 0.459 499 I N -0.515 119.993 120.570 -0.104 0.000 2.480 499 I HA -0.046 4.159 4.170 0.058 0.000 0.251 499 I C 2.089 178.112 176.117 -0.158 0.000 1.124 499 I CA 0.534 61.761 61.300 -0.123 0.000 1.444 499 I CB -0.203 37.645 38.000 -0.254 0.000 1.098 499 I HN 0.316 nan 8.210 nan 0.000 0.428 500 I N 0.354 120.809 120.570 -0.192 0.000 2.423 500 I HA -0.284 3.920 4.170 0.058 0.000 0.254 500 I C 1.693 177.722 176.117 -0.147 0.000 1.151 500 I CA 1.026 62.240 61.300 -0.144 0.000 1.421 500 I CB -0.534 37.319 38.000 -0.244 0.000 1.079 500 I HN 0.258 nan 8.210 nan 0.000 0.431 501 D N 0.387 120.604 120.400 -0.305 0.000 2.191 501 D HA -0.101 4.573 4.640 0.058 0.000 0.221 501 D C 0.899 176.978 176.300 -0.369 0.000 1.006 501 D CA 0.815 54.512 54.000 -0.505 0.000 0.910 501 D CB -0.632 39.565 40.800 -1.004 0.000 1.031 501 D HN 0.316 nan 8.370 nan 0.000 0.447 502 W N 1.437 122.712 121.300 -0.042 0.000 1.307 502 W HA 0.239 4.934 4.660 0.057 0.000 0.500 502 W C -0.047 176.444 176.519 -0.046 0.000 0.606 502 W CA -0.585 56.736 57.345 -0.040 0.000 2.661 502 W CB -0.708 28.727 29.460 -0.042 0.000 0.768 502 W HN -0.102 nan 8.180 nan 0.000 0.300 503 L N 1.075 122.352 121.223 0.089 0.000 2.441 503 L HA 0.329 4.704 4.340 0.058 0.000 0.270 503 L C -0.092 176.791 176.870 0.020 0.000 0.973 503 L CA -0.312 54.551 54.840 0.038 0.000 0.842 503 L CB 1.014 43.043 42.059 -0.048 0.000 1.239 503 L HN -0.185 nan 8.230 nan 0.000 0.406 504 D N 2.369 122.792 120.400 0.040 0.000 2.562 504 D HA 0.288 4.962 4.640 0.058 0.000 0.271 504 D C -0.507 175.785 176.300 -0.014 0.000 1.198 504 D CA 0.167 54.166 54.000 -0.002 0.000 1.071 504 D CB 0.661 41.445 40.800 -0.027 0.000 1.011 504 D HN 0.568 nan 8.370 nan 0.000 0.327 505 K N 0.483 120.823 120.400 -0.101 0.000 2.244 505 K HA 0.461 4.816 4.320 0.058 0.000 0.260 505 K C -0.460 176.084 176.600 -0.095 0.000 0.951 505 K CA -0.803 55.386 56.287 -0.164 0.000 0.826 505 K CB 2.514 34.783 32.500 -0.385 0.000 1.108 505 K HN -0.046 nan 8.250 nan 0.000 0.433 506 K N 1.862 122.302 120.400 0.067 0.000 2.206 506 K HA 0.296 4.650 4.320 0.058 0.000 0.264 506 K C -0.662 176.132 176.600 0.325 0.000 0.967 506 K CA -0.676 55.730 56.287 0.198 0.000 0.844 506 K CB 1.789 34.402 32.500 0.188 0.000 1.099 506 K HN 0.876 nan 8.250 nan 0.000 0.441 507 A N 3.358 126.440 122.820 0.437 0.000 2.526 507 A HA -0.009 4.346 4.320 0.058 0.000 0.287 507 A C 0.774 178.471 177.584 0.189 0.000 1.232 507 A CA -0.239 51.989 52.037 0.319 0.000 0.900 507 A CB -1.221 17.827 19.000 0.080 0.000 1.077 507 A HN 0.841 nan 8.150 nan 0.000 0.535 508 C N 1.863 121.275 119.300 0.187 0.000 2.882 508 C HA 0.686 5.180 4.460 0.058 0.000 0.492 508 C C 0.598 175.694 174.990 0.176 0.000 1.279 508 C CA -0.308 58.823 59.018 0.188 0.000 1.551 508 C CB -2.417 25.467 27.740 0.241 0.000 2.037 508 C HN 1.702 nan 8.230 nan 0.000 0.625 509 A N 1.016 123.949 122.820 0.189 0.000 2.517 509 A HA 0.787 5.141 4.320 0.058 0.000 0.296 509 A C -0.960 176.842 177.584 0.364 0.000 0.983 509 A CA -0.709 51.487 52.037 0.265 0.000 0.634 509 A CB 0.794 20.022 19.000 0.380 0.000 1.341 509 A HN 0.459 nan 8.150 nan 0.000 0.438 510 R N -0.510 120.145 120.500 0.259 0.000 3.270 510 R HA 0.643 5.017 4.340 0.058 0.000 0.252 510 R C -0.437 175.719 176.300 -0.240 0.000 1.331 510 R CA -0.606 55.526 56.100 0.053 0.000 1.028 510 R CB 0.367 30.669 30.300 0.003 0.000 1.450 510 R HN 0.641 nan 8.270 nan 0.000 0.471 511 K N 0.430 120.657 120.400 -0.288 0.000 2.529 511 K HA 0.339 4.693 4.320 0.058 0.000 0.215 511 K C 0.703 177.180 176.600 -0.205 0.000 1.286 511 K CA 0.267 56.334 56.287 -0.366 0.000 0.997 511 K CB 0.815 33.060 32.500 -0.425 0.000 1.063 511 K HN 0.529 nan 8.250 nan 0.000 0.590 512 I N -3.123 117.364 120.570 -0.137 0.000 3.067 512 I HA 0.768 4.972 4.170 0.058 0.000 0.312 512 I C 0.386 176.472 176.117 -0.051 0.000 1.073 512 I CA -0.539 60.708 61.300 -0.089 0.000 1.016 512 I CB 1.926 39.881 38.000 -0.075 0.000 1.227 512 I HN 0.118 nan 8.210 nan 0.000 0.456 513 G N 1.766 110.548 108.800 -0.031 0.000 2.741 513 G HA2 -0.095 3.900 3.960 0.058 0.000 0.222 513 G HA3 -0.095 3.900 3.960 0.058 0.000 0.222 513 G C -0.791 174.105 174.900 -0.007 0.000 1.364 513 G CA -0.501 44.596 45.100 -0.006 0.000 0.866 513 G HN 0.639 nan 8.290 nan 0.000 0.555 514 L N 0.991 122.223 121.223 0.015 0.000 2.448 514 L HA 0.862 5.237 4.340 0.058 0.000 0.258 514 L C 1.419 178.302 176.870 0.022 0.000 1.104 514 L CA 1.160 56.012 54.840 0.020 0.000 0.800 514 L CB 0.369 42.450 42.059 0.037 0.000 1.241 514 L HN 2.398 nan 8.230 nan 0.000 0.472 515 G N -0.295 108.523 108.800 0.030 0.000 2.369 515 G HA2 0.089 4.084 3.960 0.058 0.000 0.293 515 G HA3 0.089 4.084 3.960 0.058 0.000 0.293 515 G C -1.217 173.671 174.900 -0.020 0.000 1.301 515 G CA -0.787 44.325 45.100 0.020 0.000 0.913 515 G HN 0.449 nan 8.290 nan 0.000 0.540 516 T N 2.709 117.211 114.554 -0.087 0.000 2.767 516 T HA 0.614 4.999 4.350 0.058 0.000 0.288 516 T C -2.544 172.001 174.700 -0.259 0.000 0.963 516 T CA -0.736 61.268 62.100 -0.159 0.000 1.019 516 T CB 1.747 70.475 68.868 -0.234 0.000 0.923 516 T HN 0.339 nan 8.240 nan 0.000 0.468 517 P HA 0.207 nan 4.420 nan 0.000 0.275 517 P C -0.235 176.790 177.300 -0.459 0.000 1.227 517 P CA -0.566 62.372 63.100 -0.270 0.000 0.781 517 P CB 0.449 32.049 31.700 -0.166 0.000 0.906 518 L N 6.387 127.249 121.223 -0.602 0.000 2.654 518 L HA 0.024 4.398 4.340 0.058 0.000 0.271 518 L C -0.908 175.370 176.870 -0.987 0.000 1.169 518 L CA -0.893 53.295 54.840 -1.087 0.000 0.947 518 L CB 0.093 41.360 42.059 -1.319 0.000 1.232 518 L HN 0.367 nan 8.230 nan 0.000 0.486 519 P HA -0.163 nan 4.420 nan 0.000 0.231 519 P C 0.071 177.295 177.300 -0.126 0.000 1.154 519 P CA 1.083 63.912 63.100 -0.451 0.000 0.762 519 P CB -0.235 31.233 31.700 -0.387 0.000 0.790 520 W N -2.125 118.986 121.300 -0.314 0.000 1.686 520 W HA 0.560 5.254 4.660 0.058 0.000 0.263 520 W C -0.905 175.548 176.519 -0.110 0.000 0.860 520 W CA -0.736 56.538 57.345 -0.118 0.000 1.635 520 W CB -0.673 28.667 29.460 -0.201 0.000 0.998 520 W HN -0.257 nan 8.180 nan 0.000 0.464 521 D N 0.127 120.424 120.400 -0.171 0.000 3.496 521 D HA 0.086 4.761 4.640 0.058 0.000 0.225 521 D C -2.062 174.232 176.300 -0.011 0.000 1.490 521 D CA -1.027 52.997 54.000 0.039 0.000 1.147 521 D CB 0.250 41.149 40.800 0.165 0.000 1.335 521 D HN -0.257 nan 8.370 nan 0.000 0.720 522 P HA -0.161 nan 4.420 nan 0.000 0.222 522 P C 0.866 178.158 177.300 -0.012 0.000 1.139 522 P CA 1.172 64.245 63.100 -0.044 0.000 0.790 522 P CB 0.312 32.006 31.700 -0.010 0.000 0.757 523 E N -2.222 118.018 120.200 0.067 0.000 2.106 523 E HA -0.139 4.246 4.350 0.058 0.000 0.192 523 E C 0.118 176.633 176.600 -0.142 0.000 0.984 523 E CA 0.533 56.930 56.400 -0.006 0.000 0.806 523 E CB -0.251 29.490 29.700 0.069 0.000 0.750 523 E HN 0.345 nan 8.360 nan 0.000 0.458 524 W N 1.419 122.678 121.300 -0.069 0.000 2.322 524 W HA 0.300 4.994 4.660 0.057 0.000 0.307 524 W C -0.332 176.063 176.519 -0.207 0.000 1.220 524 W CA -0.510 56.773 57.345 -0.103 0.000 1.210 524 W CB 0.882 30.299 29.460 -0.072 0.000 1.223 524 W HN -0.225 nan 8.180 nan 0.000 0.511 525 V N 7.181 127.083 119.914 -0.019 0.000 2.364 525 V HA 0.337 4.491 4.120 0.058 0.000 0.272 525 V C 0.254 176.309 176.094 -0.065 0.000 1.036 525 V CA -0.924 61.328 62.300 -0.081 0.000 0.880 525 V CB 0.036 31.808 31.823 -0.085 0.000 0.991 525 V HN 0.394 nan 8.190 nan 0.000 0.460 526 I N 6.978 127.436 120.570 -0.187 0.000 2.752 526 I HA 0.024 4.229 4.170 0.058 0.000 0.286 526 I C 1.030 177.115 176.117 -0.052 0.000 1.180 526 I CA 0.283 61.458 61.300 -0.207 0.000 1.404 526 I CB 0.368 38.061 38.000 -0.513 0.000 1.389 526 I HN 0.794 nan 8.210 nan 0.000 0.549 527 E N 4.892 125.112 120.200 0.033 0.000 2.409 527 E HA 0.083 4.468 4.350 0.058 0.000 0.257 527 E C 0.989 177.668 176.600 0.130 0.000 1.150 527 E CA -0.168 56.273 56.400 0.070 0.000 0.942 527 E CB 0.642 30.394 29.700 0.087 0.000 0.979 527 E HN 0.642 nan 8.360 nan 0.000 0.447 528 S N 2.064 117.842 115.700 0.131 0.000 2.482 528 S HA -0.280 4.224 4.470 0.058 0.000 0.226 528 S C 1.696 176.533 174.600 0.394 0.000 1.048 528 S CA 1.472 59.832 58.200 0.267 0.000 1.158 528 S CB -0.946 62.321 63.200 0.112 0.000 1.130 528 S HN 0.534 nan 8.310 nan 0.000 0.413 529 L N 2.082 123.492 121.223 0.312 0.000 2.563 529 L HA -0.043 4.332 4.340 0.058 0.000 0.230 529 L C 2.265 179.297 176.870 0.271 0.000 1.162 529 L CA 1.260 56.293 54.840 0.321 0.000 0.812 529 L CB -1.297 40.939 42.059 0.295 0.000 0.935 529 L HN 0.361 nan 8.230 nan 0.000 0.451 530 S N -1.047 114.806 115.700 0.255 0.000 2.497 530 S HA -0.038 4.466 4.470 0.058 0.000 0.221 530 S C 1.502 176.355 174.600 0.422 0.000 1.037 530 S CA 0.534 58.888 58.200 0.258 0.000 0.920 530 S CB 0.054 63.411 63.200 0.262 0.000 0.800 530 S HN 0.713 nan 8.310 nan 0.000 0.505 531 D N 1.872 122.535 120.400 0.438 0.000 2.271 531 D HA -0.033 4.641 4.640 0.058 0.000 0.206 531 D C 0.878 177.487 176.300 0.516 0.000 0.967 531 D CA 0.525 54.797 54.000 0.453 0.000 0.867 531 D CB -0.373 40.594 40.800 0.279 0.000 0.960 531 D HN 0.258 nan 8.370 nan 0.000 0.509 532 S N -0.405 115.623 115.700 0.547 0.000 4.183 532 S HA 0.287 4.791 4.470 0.058 0.000 0.195 532 S C 0.766 175.697 174.600 0.551 0.000 1.421 532 S CA 0.032 58.592 58.200 0.600 0.000 0.920 532 S CB -0.503 62.913 63.200 0.359 0.000 1.525 532 S HN 0.433 nan 8.310 nan 0.000 0.447 533 T N -1.714 113.155 114.554 0.525 0.000 3.074 533 T HA 0.227 4.612 4.350 0.058 0.000 0.258 533 T C 0.796 175.800 174.700 0.506 0.000 0.891 533 T CA 0.179 62.585 62.100 0.510 0.000 0.867 533 T CB -0.689 68.468 68.868 0.482 0.000 1.261 533 T HN 0.709 nan 8.240 nan 0.000 0.537 534 I N -1.033 119.819 120.570 0.471 0.000 3.994 534 I HA 0.442 4.647 4.170 0.058 0.000 0.323 534 I C 1.594 178.083 176.117 0.620 0.000 1.501 534 I CA -0.991 60.603 61.300 0.490 0.000 1.112 534 I CB -0.270 38.000 38.000 0.451 0.000 1.254 534 I HN 0.202 nan 8.210 nan 0.000 0.495 535 Y N 0.736 121.363 120.300 0.545 0.000 2.403 535 Y HA -0.061 4.524 4.550 0.057 0.000 0.291 535 Y C 2.353 178.351 175.900 0.163 0.000 1.143 535 Y CA 0.759 59.146 58.100 0.480 0.000 1.257 535 Y CB -0.499 38.225 38.460 0.439 0.000 0.984 535 Y HN 0.098 nan 8.280 nan 0.000 0.550 536 M N 1.488 121.095 119.600 0.012 0.000 2.192 536 M HA -0.246 4.269 4.480 0.058 0.000 0.256 536 M C 2.138 178.730 176.300 0.486 0.000 1.076 536 M CA 2.008 57.408 55.300 0.166 0.000 1.075 536 M CB -1.586 31.137 32.600 0.205 0.000 1.368 536 M HN 0.582 nan 8.290 nan 0.000 0.406 537 A N -1.442 121.581 122.820 0.338 0.000 2.238 537 A HA -0.020 4.335 4.320 0.058 0.000 0.210 537 A C 1.929 179.563 177.584 0.084 0.000 1.179 537 A CA 0.003 52.115 52.037 0.124 0.000 0.827 537 A CB -0.649 18.142 19.000 -0.349 0.000 0.856 537 A HN 0.449 nan 8.150 nan 0.000 0.488 538 Y N -0.488 119.668 120.300 -0.241 0.000 2.184 538 Y HA -0.180 4.404 4.550 0.058 0.000 0.290 538 Y C 1.964 177.874 175.900 0.017 0.000 1.129 538 Y CA 1.302 59.118 58.100 -0.473 0.000 1.144 538 Y CB -0.776 37.279 38.460 -0.675 0.000 0.995 538 Y HN 0.449 nan 8.280 nan 0.000 0.513 539 Y N -0.832 119.521 120.300 0.088 0.000 2.132 539 Y HA -0.395 4.191 4.550 0.059 0.000 0.280 539 Y C 2.752 178.612 175.900 -0.067 0.000 1.193 539 Y CA 1.380 59.488 58.100 0.014 0.000 1.157 539 Y CB -0.845 37.705 38.460 0.150 0.000 0.966 539 Y HN 0.068 nan 8.280 nan 0.000 0.511 540 T N 0.579 115.279 114.554 0.244 0.000 2.836 540 T HA -0.203 4.181 4.350 0.058 0.000 0.268 540 T C 1.264 176.025 174.700 0.102 0.000 1.080 540 T CA 1.878 64.100 62.100 0.204 0.000 1.128 540 T CB -0.560 68.577 68.868 0.447 0.000 0.839 540 T HN 0.582 nan 8.240 nan 0.000 0.507 541 I N -2.543 118.008 120.570 -0.032 0.000 4.526 541 I HA 0.360 4.564 4.170 0.058 0.000 0.330 541 I C 2.083 178.133 176.117 -0.112 0.000 1.323 541 I CA 0.256 61.503 61.300 -0.088 0.000 1.218 541 I CB -0.478 37.434 38.000 -0.147 0.000 1.233 541 I HN -0.014 nan 8.210 nan 0.000 0.430 542 S N 2.514 118.038 115.700 -0.293 0.000 2.432 542 S HA -0.343 4.162 4.470 0.058 0.000 0.243 542 S C 2.181 176.777 174.600 -0.005 0.000 1.069 542 S CA 2.628 60.651 58.200 -0.295 0.000 1.047 542 S CB -0.497 62.651 63.200 -0.086 0.000 0.854 542 S HN 0.674 nan 8.310 nan 0.000 0.474 543 R N 0.250 120.794 120.500 0.075 0.000 2.107 543 R HA -0.126 4.249 4.340 0.058 0.000 0.223 543 R C 2.260 178.660 176.300 0.166 0.000 1.138 543 R CA 2.090 58.263 56.100 0.121 0.000 0.900 543 R CB -0.990 29.384 30.300 0.125 0.000 0.814 543 R HN 0.702 nan 8.270 nan 0.000 0.437 544 H N -0.025 119.071 119.070 0.044 0.000 2.496 544 H HA -0.143 4.448 4.556 0.058 0.000 0.296 544 H C 2.056 177.438 175.328 0.089 0.000 1.107 544 H CA 1.069 57.157 56.048 0.066 0.000 1.263 544 H CB 0.020 29.824 29.762 0.070 0.000 1.369 544 H HN 0.299 nan 8.280 nan 0.000 0.541 545 I N 1.244 121.953 120.570 0.232 0.000 2.406 545 I HA -0.174 4.031 4.170 0.058 0.000 0.249 545 I C 1.844 178.092 176.117 0.218 0.000 1.122 545 I CA 0.695 62.131 61.300 0.226 0.000 1.431 545 I CB -0.549 37.604 38.000 0.254 0.000 1.087 545 I HN 0.271 nan 8.210 nan 0.000 0.424 546 N N 1.104 119.930 118.700 0.209 0.000 2.309 546 N HA -0.185 4.589 4.740 0.058 0.000 0.182 546 N C 1.756 177.348 175.510 0.137 0.000 1.018 546 N CA 0.810 53.982 53.050 0.203 0.000 0.876 546 N CB 0.017 38.626 38.487 0.205 0.000 0.972 546 N HN 0.285 nan 8.380 nan 0.000 0.434 547 K N 1.563 122.033 120.400 0.116 0.000 1.973 547 K HA 0.014 4.369 4.320 0.058 0.000 0.212 547 K C 2.064 178.712 176.600 0.081 0.000 1.047 547 K CA 0.974 57.306 56.287 0.076 0.000 0.937 547 K CB -0.523 32.006 32.500 0.048 0.000 0.721 547 K HN 0.013 nan 8.250 nan 0.000 0.440 548 L N 0.591 121.874 121.223 0.100 0.000 1.994 548 L HA -0.117 4.257 4.340 0.058 0.000 0.208 548 L C 2.799 179.714 176.870 0.075 0.000 1.071 548 L CA 1.757 56.647 54.840 0.084 0.000 0.745 548 L CB -0.563 41.552 42.059 0.093 0.000 0.892 548 L HN 0.285 nan 8.230 nan 0.000 0.431 549 R N 0.126 120.685 120.500 0.097 0.000 2.154 549 R HA -0.288 4.087 4.340 0.058 0.000 0.248 549 R C 2.299 178.632 176.300 0.055 0.000 1.155 549 R CA 1.856 58.002 56.100 0.076 0.000 0.979 549 R CB -0.191 30.169 30.300 0.101 0.000 0.869 549 R HN 0.288 nan 8.270 nan 0.000 0.452 550 Q N 1.414 121.254 119.800 0.067 0.000 2.112 550 Q HA -0.193 4.182 4.340 0.058 0.000 0.206 550 Q C -0.363 175.662 176.000 0.040 0.000 0.987 550 Q CA 2.154 57.991 55.803 0.056 0.000 0.858 550 Q CB 0.087 28.861 28.738 0.060 0.000 0.905 550 Q HN 0.522 nan 8.270 nan 0.000 0.420 551 E N -1.773 118.450 120.200 0.038 0.000 3.108 551 E HA 0.480 4.864 4.350 0.058 0.000 0.228 551 E C 0.267 176.882 176.600 0.025 0.000 1.176 551 E CA 0.144 56.561 56.400 0.029 0.000 0.881 551 E CB 0.313 30.029 29.700 0.027 0.000 1.354 551 E HN 0.267 nan 8.360 nan 0.000 0.400 552 G N 2.256 111.070 108.800 0.022 0.000 2.464 552 G HA2 -0.389 3.606 3.960 0.058 0.000 0.333 552 G HA3 -0.389 3.606 3.960 0.058 0.000 0.333 552 G C 0.650 175.560 174.900 0.016 0.000 0.903 552 G CA 0.750 45.861 45.100 0.018 0.000 0.795 552 G HN 0.253 nan 8.290 nan 0.000 0.510 553 K N -1.026 119.387 120.400 0.021 0.000 2.469 553 K HA 0.264 4.619 4.320 0.058 0.000 0.201 553 K C 0.461 177.067 176.600 0.011 0.000 1.028 553 K CA -0.157 56.140 56.287 0.016 0.000 1.170 553 K CB 0.385 32.898 32.500 0.022 0.000 0.874 553 K HN 0.511 nan 8.250 nan 0.000 0.507 554 L N 0.504 121.735 121.223 0.014 0.000 2.404 554 L HA 0.384 4.759 4.340 0.058 0.000 0.272 554 L C -1.448 175.422 176.870 0.001 0.000 0.980 554 L CA -0.665 54.179 54.840 0.007 0.000 0.836 554 L CB 1.888 43.972 42.059 0.041 0.000 1.238 554 L HN -0.152 nan 8.230 nan 0.000 0.408 555 D N 6.461 126.846 120.400 -0.025 0.000 2.396 555 D HA 0.434 5.109 4.640 0.058 0.000 0.225 555 D C -1.857 174.433 176.300 -0.018 0.000 1.121 555 D CA -2.062 51.927 54.000 -0.018 0.000 0.853 555 D CB 1.781 42.563 40.800 -0.031 0.000 1.043 555 D HN 0.361 nan 8.370 nan 0.000 0.500 556 P HA -0.253 nan 4.420 nan 0.000 0.219 556 P C 1.110 178.436 177.300 0.043 0.000 1.161 556 P CA 1.233 64.369 63.100 0.060 0.000 0.909 556 P CB 0.261 32.010 31.700 0.081 0.000 0.793 557 E N -0.130 120.089 120.200 0.032 0.000 2.048 557 E HA -0.235 4.149 4.350 0.058 0.000 0.202 557 E C 1.742 178.333 176.600 -0.013 0.000 1.021 557 E CA 1.344 57.762 56.400 0.030 0.000 0.825 557 E CB -0.897 28.817 29.700 0.023 0.000 0.756 557 E HN 0.256 nan 8.360 nan 0.000 0.454 558 K N 0.519 120.876 120.400 -0.073 0.000 2.374 558 K HA -0.125 4.229 4.320 0.058 0.000 0.202 558 K C 0.954 177.378 176.600 -0.293 0.000 1.044 558 K CA 0.509 56.699 56.287 -0.162 0.000 0.933 558 K CB -0.628 31.753 32.500 -0.198 0.000 0.745 558 K HN 0.258 nan 8.250 nan 0.000 0.474 559 L N 2.744 123.831 121.223 -0.227 0.000 2.375 559 L HA 0.089 4.463 4.340 0.058 0.000 0.276 559 L C 0.636 177.492 176.870 -0.024 0.000 1.162 559 L CA -0.407 54.282 54.840 -0.251 0.000 0.991 559 L CB -0.199 41.807 42.059 -0.089 0.000 1.315 559 L HN 0.030 nan 8.230 nan 0.000 0.431 560 T N -1.415 113.179 114.554 0.067 0.000 2.949 560 T HA 0.450 4.835 4.350 0.058 0.000 0.287 560 T C -2.033 172.881 174.700 0.356 0.000 1.034 560 T CA -2.114 60.114 62.100 0.214 0.000 1.018 560 T CB 2.179 71.137 68.868 0.150 0.000 1.135 560 T HN 0.012 nan 8.240 nan 0.000 0.532 561 P HA -0.167 nan 4.420 nan 0.000 0.216 561 P C 1.623 179.231 177.300 0.513 0.000 1.154 561 P CA 0.965 64.486 63.100 0.701 0.000 0.865 561 P CB 0.090 32.035 31.700 0.409 0.000 0.789 562 E N -1.201 119.183 120.200 0.308 0.000 2.058 562 E HA -0.212 4.173 4.350 0.058 0.000 0.194 562 E C 1.841 178.596 176.600 0.258 0.000 0.997 562 E CA 1.220 57.763 56.400 0.239 0.000 0.801 562 E CB -0.814 28.981 29.700 0.158 0.000 0.746 562 E HN 0.121 nan 8.360 nan 0.000 0.450 563 F N 0.984 120.968 119.950 0.056 0.000 2.010 563 F HA -0.236 4.325 4.527 0.057 0.000 0.296 563 F C 2.177 177.965 175.800 -0.021 0.000 1.146 563 F CA 1.597 59.567 58.000 -0.050 0.000 1.181 563 F CB -1.184 37.669 39.000 -0.244 0.000 0.965 563 F HN -0.044 nan 8.300 nan 0.000 0.480 564 F N 1.301 120.944 119.950 -0.513 0.000 2.184 564 F HA -0.248 4.313 4.527 0.057 0.000 0.301 564 F C 2.385 177.881 175.800 -0.507 0.000 1.076 564 F CA 1.850 59.348 58.000 -0.836 0.000 1.295 564 F CB -1.301 36.961 39.000 -1.230 0.000 1.026 564 F HN 0.093 nan 8.300 nan 0.000 0.494 565 D N -1.390 119.074 120.400 0.106 0.000 2.117 565 D HA -0.225 4.449 4.640 0.058 0.000 0.197 565 D C 2.079 178.504 176.300 0.207 0.000 0.987 565 D CA 1.078 55.288 54.000 0.350 0.000 0.829 565 D CB -0.612 40.454 40.800 0.443 0.000 0.961 565 D HN 0.341 nan 8.370 nan 0.000 0.460 566 Y N 1.836 122.142 120.300 0.011 0.000 2.181 566 Y HA -0.108 4.477 4.550 0.058 0.000 0.288 566 Y C 1.420 177.264 175.900 -0.093 0.000 1.146 566 Y CA 1.056 59.153 58.100 -0.005 0.000 1.164 566 Y CB -0.295 38.175 38.460 0.015 0.000 0.982 566 Y HN -0.020 nan 8.280 nan 0.000 0.515 567 I N -3.028 117.294 120.570 -0.415 0.000 3.078 567 I HA 0.200 4.404 4.170 0.058 0.000 0.296 567 I C -0.677 174.826 176.117 -1.023 0.000 1.195 567 I CA 0.399 61.268 61.300 -0.718 0.000 1.542 567 I CB -0.766 36.788 38.000 -0.743 0.000 1.414 567 I HN 0.142 nan 8.210 nan 0.000 0.598 568 F N 0.115 119.946 119.950 -0.198 0.000 2.225 568 F HA 0.088 4.649 4.527 0.057 0.000 0.424 568 F C 0.802 176.784 175.800 0.304 0.000 0.848 568 F CA -0.083 57.909 58.000 -0.013 0.000 0.855 568 F CB -0.270 38.693 39.000 -0.062 0.000 1.166 568 F HN 0.046 nan 8.300 nan 0.000 0.566 569 L N -0.444 120.975 121.223 0.327 0.000 3.112 569 L HA 0.304 4.679 4.340 0.058 0.000 0.166 569 L C 0.221 177.139 176.870 0.080 0.000 1.170 569 L CA 0.050 55.036 54.840 0.244 0.000 0.854 569 L CB -0.917 41.302 42.059 0.267 0.000 1.424 569 L HN -0.228 nan 8.230 nan 0.000 0.542 570 E N 3.488 123.740 120.200 0.086 0.000 3.025 570 E HA -0.088 4.296 4.350 0.058 0.000 0.248 570 E C -0.369 176.192 176.600 -0.064 0.000 0.938 570 E CA 0.084 56.534 56.400 0.083 0.000 0.958 570 E CB -0.042 29.808 29.700 0.251 0.000 0.898 570 E HN 0.171 nan 8.360 nan 0.000 0.537 571 E N 1.977 122.165 120.200 -0.021 0.000 2.447 571 E HA -0.058 4.327 4.350 0.058 0.000 0.259 571 E C 0.027 176.635 176.600 0.012 0.000 1.196 571 E CA 0.293 56.641 56.400 -0.087 0.000 0.995 571 E CB 0.210 29.921 29.700 0.018 0.000 0.974 571 E HN 0.278 nan 8.360 nan 0.000 0.465 572 F N 1.078 121.110 119.950 0.138 0.000 2.502 572 F HA 0.002 4.563 4.527 0.057 0.000 0.361 572 F C 0.654 176.582 175.800 0.213 0.000 1.157 572 F CA 0.326 58.459 58.000 0.222 0.000 1.096 572 F CB -0.119 38.981 39.000 0.167 0.000 1.141 572 F HN -0.060 nan 8.300 nan 0.000 0.579 573 S N 2.970 118.964 115.700 0.489 0.000 2.566 573 S HA 0.111 4.616 4.470 0.058 0.000 0.324 573 S C 1.190 175.873 174.600 0.138 0.000 1.081 573 S CA -0.798 57.542 58.200 0.235 0.000 1.105 573 S CB 1.190 64.490 63.200 0.167 0.000 0.981 573 S HN 0.753 nan 8.310 nan 0.000 0.464 574 E N 2.539 122.780 120.200 0.068 0.000 2.233 574 E HA -0.260 4.125 4.350 0.058 0.000 0.199 574 E C 0.242 176.818 176.600 -0.040 0.000 1.004 574 E CA 1.779 58.171 56.400 -0.013 0.000 0.819 574 E CB 0.124 29.806 29.700 -0.032 0.000 0.738 574 E HN 0.667 nan 8.360 nan 0.000 0.478 575 D N -0.276 120.105 120.400 -0.032 0.000 2.183 575 D HA -0.080 4.595 4.640 0.058 0.000 0.205 575 D C 1.628 177.866 176.300 -0.103 0.000 0.962 575 D CA 0.498 54.468 54.000 -0.050 0.000 0.849 575 D CB 0.050 40.836 40.800 -0.023 0.000 0.978 575 D HN -0.043 nan 8.370 nan 0.000 0.488 576 K N 0.936 121.239 120.400 -0.162 0.000 2.281 576 K HA -0.139 4.216 4.320 0.058 0.000 0.203 576 K C 1.717 178.085 176.600 -0.387 0.000 1.046 576 K CA 0.882 56.996 56.287 -0.288 0.000 0.938 576 K CB -0.130 32.115 32.500 -0.426 0.000 0.737 576 K HN 0.411 nan 8.250 nan 0.000 0.458 577 E N 0.268 120.262 120.200 -0.344 0.000 2.033 577 E HA -0.123 4.261 4.350 0.058 0.000 0.189 577 E C 1.992 178.537 176.600 -0.091 0.000 0.979 577 E CA 0.855 57.134 56.400 -0.202 0.000 0.802 577 E CB 0.017 29.668 29.700 -0.082 0.000 0.763 577 E HN 0.001 nan 8.360 nan 0.000 0.449 578 K N 1.300 121.655 120.400 -0.075 0.000 2.032 578 K HA -0.189 4.165 4.320 0.058 0.000 0.209 578 K C 1.972 178.545 176.600 -0.045 0.000 1.048 578 K CA 1.423 57.683 56.287 -0.044 0.000 0.927 578 K CB -0.110 32.368 32.500 -0.036 0.000 0.712 578 K HN 0.071 nan 8.250 nan 0.000 0.441 579 E N -0.208 119.958 120.200 -0.057 0.000 2.070 579 E HA -0.222 4.163 4.350 0.058 0.000 0.197 579 E C 1.519 178.094 176.600 -0.041 0.000 1.004 579 E CA 1.379 57.752 56.400 -0.045 0.000 0.805 579 E CB -0.025 29.647 29.700 -0.048 0.000 0.744 579 E HN 0.096 nan 8.360 nan 0.000 0.451 580 L N 1.213 122.405 121.223 -0.052 0.000 2.395 580 L HA -0.047 4.327 4.340 0.058 0.000 0.218 580 L C 2.130 178.972 176.870 -0.045 0.000 1.130 580 L CA 1.170 55.993 54.840 -0.029 0.000 0.826 580 L CB -0.434 41.641 42.059 0.027 0.000 0.941 580 L HN 0.211 nan 8.230 nan 0.000 0.451 581 E N 0.007 120.185 120.200 -0.037 0.000 2.012 581 E HA -0.295 4.089 4.350 0.058 0.000 0.197 581 E C 1.944 178.517 176.600 -0.044 0.000 1.007 581 E CA 1.680 58.061 56.400 -0.031 0.000 0.816 581 E CB 0.182 29.872 29.700 -0.018 0.000 0.762 581 E HN 0.301 nan 8.360 nan 0.000 0.451 582 K N 0.792 121.170 120.400 -0.037 0.000 2.025 582 K HA -0.108 4.247 4.320 0.058 0.000 0.207 582 K C 2.107 178.679 176.600 -0.048 0.000 1.049 582 K CA 1.244 57.510 56.287 -0.036 0.000 0.933 582 K CB -0.195 32.289 32.500 -0.026 0.000 0.714 582 K HN -0.012 nan 8.250 nan 0.000 0.438 583 K N 0.100 120.469 120.400 -0.051 0.000 2.127 583 K HA -0.187 4.168 4.320 0.058 0.000 0.208 583 K C 1.931 178.474 176.600 -0.097 0.000 1.047 583 K CA 2.102 58.354 56.287 -0.058 0.000 0.927 583 K CB -0.097 32.376 32.500 -0.045 0.000 0.716 583 K HN 0.501 nan 8.250 nan 0.000 0.450 584 T N -5.127 109.343 114.554 -0.140 0.000 3.042 584 T HA 0.190 4.574 4.350 0.058 0.000 0.245 584 T C 1.232 175.843 174.700 -0.148 0.000 1.029 584 T CA 0.491 62.461 62.100 -0.217 0.000 1.120 584 T CB 0.600 69.236 68.868 -0.387 0.000 0.917 584 T HN 0.270 nan 8.240 nan 0.000 0.467 585 G N 1.424 110.163 108.800 -0.101 0.000 2.140 585 G HA2 -0.118 3.877 3.960 0.058 0.000 0.211 585 G HA3 -0.118 3.877 3.960 0.058 0.000 0.211 585 G C -0.189 174.679 174.900 -0.053 0.000 1.013 585 G CA -0.050 45.012 45.100 -0.063 0.000 0.705 585 G HN 0.659 nan 8.290 nan 0.000 0.508 586 I N 0.290 120.824 120.570 -0.060 0.000 2.509 586 I HA 0.368 4.572 4.170 0.058 0.000 0.293 586 I C -2.179 173.942 176.117 0.005 0.000 1.020 586 I CA -2.808 58.477 61.300 -0.025 0.000 1.088 586 I CB 2.415 40.390 38.000 -0.041 0.000 1.267 586 I HN -0.167 nan 8.210 nan 0.000 0.430 587 P HA -0.021 nan 4.420 nan 0.000 0.266 587 P C 0.164 177.498 177.300 0.058 0.000 1.193 587 P CA 0.191 63.315 63.100 0.040 0.000 0.770 587 P CB 0.775 32.506 31.700 0.051 0.000 0.836 588 A N 3.896 126.746 122.820 0.049 0.000 1.873 588 A HA -0.184 4.171 4.320 0.058 0.000 0.215 588 A C 1.835 179.486 177.584 0.111 0.000 1.186 588 A CA 1.463 53.537 52.037 0.061 0.000 0.616 588 A CB -1.111 17.905 19.000 0.026 0.000 0.823 588 A HN 0.672 nan 8.150 nan 0.000 0.442 589 E N 0.044 120.306 120.200 0.103 0.000 2.267 589 E HA -0.175 4.210 4.350 0.058 0.000 0.197 589 E C 1.713 178.412 176.600 0.163 0.000 0.998 589 E CA 1.037 57.524 56.400 0.145 0.000 0.830 589 E CB -0.433 29.331 29.700 0.107 0.000 0.751 589 E HN 0.508 nan 8.360 nan 0.000 0.491 590 I N 1.065 121.723 120.570 0.147 0.000 2.500 590 I HA -0.131 4.073 4.170 0.058 0.000 0.252 590 I C 2.219 178.441 176.117 0.175 0.000 1.142 590 I CA 0.440 61.844 61.300 0.174 0.000 1.451 590 I CB -0.294 37.802 38.000 0.159 0.000 1.093 590 I HN 0.058 nan 8.210 nan 0.000 0.430 591 I N 0.049 120.734 120.570 0.191 0.000 2.193 591 I HA -0.274 3.930 4.170 0.058 0.000 0.240 591 I C 2.585 178.869 176.117 0.278 0.000 1.084 591 I CA 1.364 62.810 61.300 0.243 0.000 1.365 591 I CB -1.945 36.228 38.000 0.288 0.000 1.064 591 I HN 0.248 nan 8.210 nan 0.000 0.410 592 H N 1.628 120.799 119.070 0.169 0.000 2.292 592 H HA -0.251 4.340 4.556 0.058 0.000 0.292 592 H C 2.192 177.543 175.328 0.038 0.000 1.100 592 H CA 2.518 58.627 56.048 0.102 0.000 1.238 592 H CB -0.289 29.471 29.762 -0.002 0.000 1.355 592 H HN 0.394 nan 8.280 nan 0.000 0.484 593 E N -0.488 119.673 120.200 -0.065 0.000 2.038 593 E HA -0.205 4.180 4.350 0.058 0.000 0.195 593 E C 2.429 178.944 176.600 -0.142 0.000 1.000 593 E CA 1.454 57.778 56.400 -0.126 0.000 0.803 593 E CB -0.075 29.679 29.700 0.091 0.000 0.750 593 E HN 0.523 nan 8.360 nan 0.000 0.448 594 M N 0.297 119.767 119.600 -0.217 0.000 2.110 594 M HA -0.260 4.255 4.480 0.058 0.000 0.257 594 M C 2.554 178.776 176.300 -0.130 0.000 1.071 594 M CA 1.834 56.917 55.300 -0.361 0.000 1.096 594 M CB -0.418 32.044 32.600 -0.230 0.000 1.300 594 M HN -0.010 nan 8.290 nan 0.000 0.411 595 K N 0.255 120.662 120.400 0.012 0.000 2.097 595 K HA -0.190 4.165 4.320 0.058 0.000 0.205 595 K C 1.807 178.592 176.600 0.308 0.000 1.050 595 K CA 1.418 57.774 56.287 0.115 0.000 0.938 595 K CB -0.038 32.585 32.500 0.206 0.000 0.718 595 K HN 0.289 nan 8.250 nan 0.000 0.442 596 E N 0.214 120.545 120.200 0.219 0.000 2.153 596 E HA -0.199 4.186 4.350 0.058 0.000 0.194 596 E C 1.562 178.237 176.600 0.125 0.000 0.988 596 E CA 0.978 57.458 56.400 0.132 0.000 0.811 596 E CB 0.234 29.805 29.700 -0.214 0.000 0.746 596 E HN 0.275 nan 8.360 nan 0.000 0.466 597 E N 0.302 120.560 120.200 0.096 0.000 1.996 597 E HA -0.208 4.176 4.350 0.058 0.000 0.197 597 E C 1.830 178.615 176.600 0.309 0.000 1.002 597 E CA 0.934 57.440 56.400 0.177 0.000 0.840 597 E CB -0.834 28.967 29.700 0.168 0.000 0.786 597 E HN 0.250 nan 8.360 nan 0.000 0.469 598 F N 2.650 122.673 119.950 0.121 0.000 2.048 598 F HA -0.304 4.257 4.527 0.057 0.000 0.296 598 F C 2.221 178.102 175.800 0.135 0.000 1.109 598 F CA 2.084 60.153 58.000 0.115 0.000 1.214 598 F CB -0.278 38.698 39.000 -0.040 0.000 0.963 598 F HN 0.055 nan 8.300 nan 0.000 0.491 599 E N -0.997 119.269 120.200 0.110 0.000 2.171 599 E HA -0.295 4.090 4.350 0.058 0.000 0.197 599 E C 2.028 178.611 176.600 -0.028 0.000 0.997 599 E CA 1.784 58.171 56.400 -0.020 0.000 0.810 599 E CB -0.747 29.072 29.700 0.199 0.000 0.738 599 E HN 0.681 nan 8.360 nan 0.000 0.467 600 Y N -0.499 119.738 120.300 -0.105 0.000 2.109 600 Y HA -0.199 4.386 4.550 0.057 0.000 0.281 600 Y C 2.122 177.879 175.900 -0.239 0.000 1.113 600 Y CA 1.710 59.659 58.100 -0.252 0.000 1.098 600 Y CB -0.706 37.484 38.460 -0.450 0.000 0.996 600 Y HN -0.010 nan 8.280 nan 0.000 0.485 601 W N -1.245 120.246 121.300 0.318 0.000 2.387 601 W HA -0.204 4.491 4.660 0.058 0.000 0.272 601 W C 0.218 176.952 176.519 0.359 0.000 1.224 601 W CA 0.390 57.907 57.345 0.287 0.000 1.210 601 W CB -0.364 29.196 29.460 0.166 0.000 1.125 601 W HN 0.015 nan 8.180 nan 0.000 0.572 602 Y N 1.563 121.876 120.300 0.023 0.000 2.376 602 Y HA 0.271 4.855 4.550 0.057 0.000 0.325 602 Y C -1.462 174.266 175.900 -0.286 0.000 1.199 602 Y CA -3.692 54.271 58.100 -0.228 0.000 1.206 602 Y CB 0.303 38.236 38.460 -0.879 0.000 1.229 602 Y HN -0.372 nan 8.280 nan 0.000 0.480 603 P HA -0.007 nan 4.420 nan 0.000 0.270 603 P C -0.694 176.345 177.300 -0.436 0.000 1.223 603 P CA -0.313 62.549 63.100 -0.397 0.000 0.785 603 P CB 1.122 32.697 31.700 -0.210 0.000 0.923 604 L N 2.108 122.896 121.223 -0.725 0.000 2.401 604 L HA 0.097 4.471 4.340 0.058 0.000 0.283 604 L C 0.659 177.270 176.870 -0.432 0.000 1.151 604 L CA 0.419 54.889 54.840 -0.616 0.000 0.942 604 L CB -1.298 40.332 42.059 -0.714 0.000 1.283 604 L HN 0.166 nan 8.230 nan 0.000 0.442 605 D N 3.178 123.377 120.400 -0.333 0.000 2.218 605 D HA -0.232 4.442 4.640 0.058 0.000 0.194 605 D C -0.674 175.260 176.300 -0.610 0.000 1.007 605 D CA 2.381 56.136 54.000 -0.409 0.000 0.879 605 D CB -0.037 40.576 40.800 -0.313 0.000 0.918 605 D HN 0.525 nan 8.370 nan 0.000 0.449 606 W N -1.803 119.279 121.300 -0.364 0.000 3.213 606 W HA 0.477 5.173 4.660 0.059 0.000 0.318 606 W C -0.725 175.625 176.519 -0.282 0.000 1.248 606 W CA -1.165 56.009 57.345 -0.284 0.000 1.187 606 W CB 1.549 30.900 29.460 -0.182 0.000 1.403 606 W HN -0.462 nan 8.180 nan 0.000 0.556 607 R N 1.881 122.411 120.500 0.049 0.000 2.507 607 R HA 0.682 5.056 4.340 0.058 0.000 0.298 607 R C -1.551 174.711 176.300 -0.063 0.000 1.087 607 R CA -0.020 56.007 56.100 -0.122 0.000 0.917 607 R CB 0.351 30.439 30.300 -0.354 0.000 1.173 607 R HN 0.579 nan 8.270 nan 0.000 0.472 608 C N 2.114 121.383 119.300 -0.052 0.000 2.398 608 C HA 0.928 5.423 4.460 0.058 0.000 0.364 608 C C -0.024 174.938 174.990 -0.046 0.000 1.219 608 C CA 0.053 59.046 59.018 -0.042 0.000 2.312 608 C CB 1.274 28.981 27.740 -0.056 0.000 2.428 608 C HN 0.903 nan 8.230 nan 0.000 0.564 609 S N 0.175 115.864 115.700 -0.018 0.000 2.688 609 S HA 0.550 5.055 4.470 0.058 0.000 0.269 609 S C -0.520 174.120 174.600 0.066 0.000 1.060 609 S CA 0.124 58.337 58.200 0.022 0.000 0.844 609 S CB 0.066 63.315 63.200 0.082 0.000 1.095 609 S HN 1.301 nan 8.310 nan 0.000 0.466 610 G N 1.174 110.047 108.800 0.122 0.000 2.634 610 G HA2 0.349 4.343 3.960 0.058 0.000 0.255 610 G HA3 0.349 4.343 3.960 0.058 0.000 0.255 610 G C 0.834 175.849 174.900 0.191 0.000 1.205 610 G CA 0.031 45.250 45.100 0.199 0.000 0.884 610 G HN 0.967 nan 8.290 nan 0.000 0.549 611 K N -0.602 119.904 120.400 0.177 0.000 2.155 611 K HA -0.093 4.262 4.320 0.058 0.000 0.203 611 K C 1.475 178.179 176.600 0.174 0.000 1.052 611 K CA 1.583 57.939 56.287 0.114 0.000 0.948 611 K CB -0.163 32.316 32.500 -0.035 0.000 0.728 611 K HN 0.464 nan 8.250 nan 0.000 0.448 612 D N 1.609 122.204 120.400 0.325 0.000 2.354 612 D HA -0.176 4.499 4.640 0.058 0.000 0.216 612 D C 1.449 177.842 176.300 0.154 0.000 0.970 612 D CA 0.835 55.001 54.000 0.276 0.000 0.905 612 D CB -0.186 40.799 40.800 0.309 0.000 0.903 612 D HN 0.331 nan 8.370 nan 0.000 0.508 613 L N -0.163 121.148 121.223 0.147 0.000 2.700 613 L HA 0.290 4.664 4.340 0.058 0.000 0.234 613 L C 1.863 178.729 176.870 -0.006 0.000 1.156 613 L CA -0.181 54.728 54.840 0.115 0.000 0.946 613 L CB 0.034 42.221 42.059 0.214 0.000 1.216 613 L HN 0.029 nan 8.230 nan 0.000 0.493 614 I N 1.707 122.245 120.570 -0.053 0.000 2.233 614 I HA -0.110 4.094 4.170 0.058 0.000 0.243 614 I C -0.419 175.408 176.117 -0.482 0.000 1.093 614 I CA 1.086 62.210 61.300 -0.295 0.000 1.380 614 I CB -0.753 37.170 38.000 -0.127 0.000 1.067 614 I HN 0.162 nan 8.210 nan 0.000 0.413 615 P HA -0.054 nan 4.420 nan 0.000 0.269 615 P C -0.679 176.416 177.300 -0.342 0.000 1.376 615 P CA 1.002 63.938 63.100 -0.273 0.000 0.775 615 P CB -0.497 31.132 31.700 -0.117 0.000 1.345 616 N N -1.654 116.749 118.700 -0.494 0.000 2.473 616 N HA -0.122 4.653 4.740 0.058 0.000 0.265 616 N C 1.445 176.403 175.510 -0.919 0.000 1.610 616 N CA -0.492 52.063 53.050 -0.825 0.000 1.574 616 N CB -0.785 37.639 38.487 -0.105 0.000 1.164 616 N HN -0.194 nan 8.380 nan 0.000 1.198 617 H N 1.679 120.675 119.070 -0.123 0.000 2.267 617 H HA -0.102 4.489 4.556 0.058 0.000 0.291 617 H C 2.010 177.372 175.328 0.057 0.000 1.094 617 H CA 2.480 58.652 56.048 0.207 0.000 1.227 617 H CB -0.260 29.637 29.762 0.225 0.000 1.351 617 H HN 0.384 nan 8.280 nan 0.000 0.483 618 L N 0.235 121.282 121.223 -0.293 0.000 2.089 618 L HA -0.233 4.142 4.340 0.058 0.000 0.213 618 L C 2.797 179.580 176.870 -0.146 0.000 1.079 618 L CA 2.061 56.774 54.840 -0.212 0.000 0.758 618 L CB -0.433 41.636 42.059 0.018 0.000 0.891 618 L HN 0.399 nan 8.230 nan 0.000 0.433 619 T N -0.990 113.302 114.554 -0.436 0.000 2.770 619 T HA -0.079 4.305 4.350 0.058 0.000 0.258 619 T C 1.520 176.050 174.700 -0.284 0.000 1.039 619 T CA 0.969 62.782 62.100 -0.479 0.000 1.143 619 T CB -0.309 68.144 68.868 -0.691 0.000 0.866 619 T HN 0.069 nan 8.240 nan 0.000 0.428 620 F N 1.461 121.283 119.950 -0.214 0.000 2.192 620 F HA -0.028 4.534 4.527 0.057 0.000 0.301 620 F C 1.996 177.805 175.800 0.015 0.000 1.079 620 F CA 0.058 57.913 58.000 -0.242 0.000 1.303 620 F CB -1.262 37.662 39.000 -0.128 0.000 1.024 620 F HN 0.117 nan 8.300 nan 0.000 0.494 621 F N 1.206 121.144 119.950 -0.021 0.000 2.091 621 F HA -0.227 4.335 4.527 0.058 0.000 0.299 621 F C 2.097 177.889 175.800 -0.014 0.000 1.103 621 F CA 1.372 59.342 58.000 -0.050 0.000 1.228 621 F CB -0.819 37.972 39.000 -0.348 0.000 0.984 621 F HN -0.032 nan 8.300 nan 0.000 0.477 622 I N -1.337 118.946 120.570 -0.478 0.000 2.233 622 I HA -0.257 3.947 4.170 0.058 0.000 0.243 622 I C 2.257 178.081 176.117 -0.488 0.000 1.093 622 I CA 0.977 61.858 61.300 -0.698 0.000 1.380 622 I CB -0.874 36.736 38.000 -0.649 0.000 1.067 622 I HN 0.050 nan 8.210 nan 0.000 0.413 623 F N 2.004 121.733 119.950 -0.369 0.000 1.988 623 F HA -0.249 4.312 4.527 0.058 0.000 0.296 623 F C 2.493 178.352 175.800 0.098 0.000 1.178 623 F CA 1.955 59.733 58.000 -0.369 0.000 1.174 623 F CB -1.137 37.494 39.000 -0.614 0.000 0.963 623 F HN 0.078 nan 8.300 nan 0.000 0.489 624 N N -1.085 117.922 118.700 0.511 0.000 2.144 624 N HA -0.311 4.463 4.740 0.058 0.000 0.195 624 N C 1.626 177.283 175.510 0.245 0.000 1.006 624 N CA 1.844 55.145 53.050 0.418 0.000 0.880 624 N CB -0.579 38.101 38.487 0.322 0.000 1.018 624 N HN 0.399 nan 8.380 nan 0.000 0.443 625 H N 0.432 119.578 119.070 0.127 0.000 2.270 625 H HA -0.078 4.513 4.556 0.058 0.000 0.299 625 H C 2.316 177.673 175.328 0.048 0.000 1.077 625 H CA 1.960 58.118 56.048 0.182 0.000 1.294 625 H CB -0.348 29.368 29.762 -0.077 0.000 1.371 625 H HN 0.116 nan 8.280 nan 0.000 0.491 626 V N -1.488 118.311 119.914 -0.192 0.000 2.688 626 V HA -0.163 3.992 4.120 0.058 0.000 0.256 626 V C 2.264 178.448 176.094 0.149 0.000 1.084 626 V CA 1.571 63.602 62.300 -0.448 0.000 1.103 626 V CB -1.257 30.035 31.823 -0.885 0.000 0.688 626 V HN 0.488 nan 8.190 nan 0.000 0.480 627 A N 0.285 123.241 122.820 0.227 0.000 1.970 627 A HA 0.202 4.556 4.320 0.058 0.000 0.216 627 A C 2.152 179.692 177.584 -0.074 0.000 1.170 627 A CA 1.880 53.974 52.037 0.094 0.000 0.645 627 A CB -0.336 18.655 19.000 -0.015 0.000 0.816 627 A HN 0.604 nan 8.150 nan 0.000 0.447 628 I N -2.906 117.532 120.570 -0.221 0.000 4.124 628 I HA 0.193 4.398 4.170 0.058 0.000 0.311 628 I C -0.411 175.409 176.117 -0.495 0.000 1.259 628 I CA -0.044 60.934 61.300 -0.536 0.000 1.315 628 I CB 0.291 37.661 38.000 -1.049 0.000 1.223 628 I HN 0.110 nan 8.210 nan 0.000 0.441 629 F N 1.470 121.632 119.950 0.354 0.000 2.408 629 F HA 0.387 4.950 4.527 0.058 0.000 0.344 629 F C 1.089 177.144 175.800 0.424 0.000 1.112 629 F CA -0.812 57.476 58.000 0.479 0.000 1.096 629 F CB 0.511 39.905 39.000 0.657 0.000 1.129 629 F HN -0.241 nan 8.300 nan 0.000 0.486 630 R N 2.361 123.068 120.500 0.344 0.000 3.286 630 R HA -0.227 4.147 4.340 0.058 0.000 0.210 630 R C 1.145 177.301 176.300 -0.240 0.000 2.023 630 R CA 1.012 57.126 56.100 0.024 0.000 1.698 630 R CB -0.936 29.302 30.300 -0.105 0.000 0.995 630 R HN 0.880 nan 8.270 nan 0.000 0.562 631 E N 0.613 120.550 120.200 -0.438 0.000 4.931 631 E HA -0.403 3.981 4.350 0.058 0.000 0.176 631 E C 0.657 176.638 176.600 -1.031 0.000 1.336 631 E CA 2.385 57.755 56.400 -1.717 0.000 2.234 631 E CB -0.805 28.125 29.700 -1.284 0.000 1.887 631 E HN 0.804 nan 8.360 nan 0.000 0.354 632 E N -0.564 119.327 120.200 -0.515 0.000 2.505 632 E HA -0.096 4.288 4.350 0.058 0.000 0.197 632 E C 0.828 177.454 176.600 0.043 0.000 1.111 632 E CA 0.979 57.221 56.400 -0.262 0.000 0.887 632 E CB 0.036 29.597 29.700 -0.232 0.000 0.913 632 E HN 0.391 nan 8.360 nan 0.000 0.517 633 H N -0.966 118.116 119.070 0.019 0.000 2.785 633 H HA 0.178 4.769 4.556 0.058 0.000 0.268 633 H C -0.770 174.761 175.328 0.339 0.000 1.153 633 H CA -1.147 55.031 56.048 0.216 0.000 1.111 633 H CB -0.155 29.882 29.762 0.460 0.000 1.633 633 H HN 0.174 nan 8.280 nan 0.000 0.576 634 W N 2.501 123.886 121.300 0.142 0.000 2.190 634 W HA 0.280 4.974 4.660 0.057 0.000 0.330 634 W C -1.931 174.451 176.519 -0.228 0.000 1.299 634 W CA -2.947 54.398 57.345 -0.000 0.000 1.215 634 W CB -0.517 28.917 29.460 -0.043 0.000 1.147 634 W HN 0.045 nan 8.180 nan 0.000 0.563 635 P HA -0.129 nan 4.420 nan 0.000 0.266 635 P C 0.638 177.750 177.300 -0.313 0.000 1.180 635 P CA 0.679 63.522 63.100 -0.428 0.000 0.765 635 P CB 0.646 31.930 31.700 -0.694 0.000 0.806 636 K N 1.139 121.315 120.400 -0.375 0.000 2.358 636 K HA 0.352 4.707 4.320 0.058 0.000 0.200 636 K C 0.650 176.891 176.600 -0.597 0.000 1.030 636 K CA 0.148 56.190 56.287 -0.408 0.000 1.097 636 K CB 0.701 32.970 32.500 -0.385 0.000 0.862 636 K HN 0.748 nan 8.250 nan 0.000 0.534 637 G N 0.981 109.409 108.800 -0.620 0.000 2.376 637 G HA2 0.308 4.303 3.960 0.058 0.000 0.302 637 G HA3 0.308 4.303 3.960 0.058 0.000 0.302 637 G C -1.759 172.856 174.900 -0.474 0.000 1.586 637 G CA -0.861 43.769 45.100 -0.783 0.000 0.907 637 G HN 0.000 nan 8.290 nan 0.000 0.655 638 I N 0.521 120.914 120.570 -0.296 0.000 2.619 638 I HA 0.696 4.901 4.170 0.058 0.000 0.292 638 I C 0.121 176.235 176.117 -0.004 0.000 1.100 638 I CA -1.034 60.217 61.300 -0.082 0.000 1.043 638 I CB 2.315 40.213 38.000 -0.169 0.000 1.239 638 I HN 0.885 nan 8.210 nan 0.000 0.420 639 A N 5.863 128.682 122.820 -0.002 0.000 2.356 639 A HA 0.834 5.188 4.320 0.058 0.000 0.310 639 A C -0.856 176.682 177.584 -0.077 0.000 1.075 639 A CA -0.551 51.384 52.037 -0.171 0.000 0.746 639 A CB 1.734 20.370 19.000 -0.606 0.000 1.221 639 A HN 0.600 nan 8.150 nan 0.000 0.443 640 V N 1.134 121.019 119.914 -0.048 0.000 3.113 640 V HA 0.887 5.042 4.120 0.058 0.000 0.316 640 V C -0.863 175.251 176.094 0.033 0.000 1.125 640 V CA -0.806 61.500 62.300 0.012 0.000 1.026 640 V CB 2.218 34.065 31.823 0.041 0.000 1.080 640 V HN 1.126 nan 8.190 nan 0.000 0.444 641 N N 0.915 119.642 118.700 0.045 0.000 2.494 641 N HA 0.458 5.232 4.740 0.058 0.000 0.270 641 N C -0.087 175.439 175.510 0.026 0.000 1.285 641 N CA -0.162 52.918 53.050 0.050 0.000 0.812 641 N CB 2.008 40.534 38.487 0.066 0.000 1.557 641 N HN 1.085 nan 8.380 nan 0.000 0.487 642 G N -0.183 108.613 108.800 -0.007 0.000 2.683 642 G HA2 0.367 4.362 3.960 0.058 0.000 0.260 642 G HA3 0.367 4.362 3.960 0.058 0.000 0.260 642 G C -0.336 174.589 174.900 0.042 0.000 1.238 642 G CA -0.584 44.429 45.100 -0.146 0.000 0.934 642 G HN 0.461 nan 8.290 nan 0.000 0.534 643 F N -0.818 119.127 119.950 -0.009 0.000 2.294 643 F HA 0.621 5.183 4.527 0.057 0.000 0.319 643 F C 1.120 176.686 175.800 -0.390 0.000 1.107 643 F CA -0.369 57.569 58.000 -0.102 0.000 1.094 643 F CB 1.316 40.258 39.000 -0.097 0.000 1.508 643 F HN 0.618 nan 8.300 nan 0.000 0.506 644 G N -0.418 108.121 108.800 -0.434 0.000 2.706 644 G HA2 0.542 4.536 3.960 0.058 0.000 0.297 644 G HA3 0.542 4.536 3.960 0.058 0.000 0.297 644 G C -1.270 173.243 174.900 -0.644 0.000 1.403 644 G CA -0.644 43.648 45.100 -1.347 0.000 0.954 644 G HN 0.608 nan 8.290 nan 0.000 0.500 645 T N -1.548 112.737 114.554 -0.450 0.000 2.797 645 T HA 0.756 5.141 4.350 0.058 0.000 0.267 645 T C -0.691 174.000 174.700 -0.014 0.000 0.986 645 T CA -0.785 61.214 62.100 -0.167 0.000 0.999 645 T CB 1.586 70.416 68.868 -0.063 0.000 1.508 645 T HN 1.059 nan 8.240 nan 0.000 0.595 646 L N 1.017 122.270 121.223 0.049 0.000 2.549 646 L HA 0.406 4.781 4.340 0.058 0.000 0.260 646 L C -0.893 176.061 176.870 0.140 0.000 1.109 646 L CA 0.133 55.056 54.840 0.138 0.000 0.900 646 L CB 0.044 42.124 42.059 0.034 0.000 1.119 646 L HN 0.709 nan 8.230 nan 0.000 0.471 647 E N 2.447 122.758 120.200 0.184 0.000 2.833 647 E HA -0.178 4.207 4.350 0.058 0.000 0.289 647 E C 0.895 177.550 176.600 0.092 0.000 0.980 647 E CA 1.169 57.653 56.400 0.140 0.000 0.897 647 E CB -1.536 28.240 29.700 0.126 0.000 1.440 647 E HN 1.223 nan 8.360 nan 0.000 0.410 648 G N -0.394 108.456 108.800 0.084 0.000 4.165 648 G HA2 -0.389 3.606 3.960 0.058 0.000 0.211 648 G HA3 -0.389 3.606 3.960 0.058 0.000 0.211 648 G C 0.271 175.192 174.900 0.034 0.000 1.469 648 G CA 0.325 45.457 45.100 0.054 0.000 0.964 648 G HN 0.270 nan 8.290 nan 0.000 0.613 649 Q N 1.556 121.376 119.800 0.033 0.000 2.310 649 Q HA 0.454 4.829 4.340 0.058 0.000 0.315 649 Q C 0.474 176.473 176.000 -0.003 0.000 1.081 649 Q CA 0.735 56.549 55.803 0.017 0.000 0.981 649 Q CB 0.776 29.527 28.738 0.021 0.000 1.184 649 Q HN 0.564 nan 8.270 nan 0.000 0.389 650 K N 2.565 122.957 120.400 -0.013 0.000 2.298 650 K HA 0.157 4.512 4.320 0.058 0.000 0.280 650 K C -0.572 175.992 176.600 -0.060 0.000 1.032 650 K CA 0.216 56.477 56.287 -0.043 0.000 0.958 650 K CB 0.498 32.979 32.500 -0.032 0.000 0.978 650 K HN 0.637 nan 8.250 nan 0.000 0.472 651 M N 3.605 123.135 119.600 -0.117 0.000 2.251 651 M HA 0.038 4.553 4.480 0.058 0.000 0.346 651 M C -0.250 176.000 176.300 -0.083 0.000 1.499 651 M CA 0.229 55.449 55.300 -0.132 0.000 1.128 651 M CB 0.236 32.671 32.600 -0.275 0.000 1.809 651 M HN 0.694 nan 8.290 nan 0.000 0.464 652 S N 2.794 118.473 115.700 -0.034 0.000 2.498 652 S HA 0.281 4.786 4.470 0.058 0.000 0.317 652 S C 0.563 175.173 174.600 0.017 0.000 1.090 652 S CA -1.053 57.148 58.200 0.002 0.000 1.089 652 S CB 1.847 65.055 63.200 0.014 0.000 0.997 652 S HN 0.858 nan 8.310 nan 0.000 0.470 653 K N 2.402 122.819 120.400 0.027 0.000 2.218 653 K HA -0.156 4.199 4.320 0.058 0.000 0.205 653 K C 1.784 178.418 176.600 0.057 0.000 1.046 653 K CA 1.792 58.072 56.287 -0.013 0.000 0.933 653 K CB -0.269 32.252 32.500 0.035 0.000 0.728 653 K HN 0.614 nan 8.250 nan 0.000 0.454 654 S N -0.004 115.758 115.700 0.103 0.000 2.421 654 S HA 0.044 4.549 4.470 0.058 0.000 0.224 654 S C 1.539 176.244 174.600 0.175 0.000 1.035 654 S CA 0.478 58.776 58.200 0.162 0.000 0.953 654 S CB 0.071 63.316 63.200 0.075 0.000 0.810 654 S HN 0.302 nan 8.310 nan 0.000 0.497 655 K N 0.020 120.486 120.400 0.109 0.000 2.288 655 K HA 0.088 4.443 4.320 0.058 0.000 0.201 655 K C 1.541 178.267 176.600 0.210 0.000 1.048 655 K CA 0.729 57.073 56.287 0.095 0.000 0.956 655 K CB -0.180 32.347 32.500 0.045 0.000 0.746 655 K HN 0.551 nan 8.250 nan 0.000 0.461 656 G N 1.989 110.925 108.800 0.226 0.000 2.284 656 G HA2 -0.271 3.724 3.960 0.058 0.000 0.230 656 G HA3 -0.271 3.724 3.960 0.058 0.000 0.230 656 G C 0.002 174.922 174.900 0.033 0.000 1.021 656 G CA 0.116 45.326 45.100 0.183 0.000 0.619 656 G HN 0.441 nan 8.290 nan 0.000 0.510 657 N N 0.710 119.433 118.700 0.038 0.000 2.498 657 N HA 0.376 5.151 4.740 0.058 0.000 0.277 657 N C -0.201 175.284 175.510 -0.042 0.000 1.208 657 N CA 0.593 53.644 53.050 0.002 0.000 1.029 657 N CB 1.014 39.511 38.487 0.016 0.000 1.403 657 N HN 1.408 nan 8.380 nan 0.000 0.500 658 V N 1.445 121.317 119.914 -0.070 0.000 2.711 658 V HA 0.476 4.630 4.120 0.058 0.000 0.304 658 V C -1.503 174.538 176.094 -0.088 0.000 1.097 658 V CA -1.123 61.120 62.300 -0.094 0.000 0.906 658 V CB 1.554 33.331 31.823 -0.077 0.000 1.015 658 V HN 0.356 nan 8.190 nan 0.000 0.427 659 L N 6.512 127.662 121.223 -0.123 0.000 2.264 659 L HA 0.552 4.926 4.340 0.058 0.000 0.289 659 L C 0.599 177.448 176.870 -0.035 0.000 1.044 659 L CA 0.209 54.960 54.840 -0.148 0.000 0.807 659 L CB 1.092 42.926 42.059 -0.376 0.000 1.192 659 L HN 0.789 nan 8.230 nan 0.000 0.425 660 N N 2.960 121.678 118.700 0.031 0.000 2.503 660 N HA -0.011 4.764 4.740 0.058 0.000 0.267 660 N C 0.731 176.366 175.510 0.207 0.000 1.214 660 N CA -0.310 52.830 53.050 0.151 0.000 0.959 660 N CB 0.768 39.310 38.487 0.091 0.000 1.142 660 N HN 0.499 nan 8.380 nan 0.000 0.455 661 F N 1.784 121.802 119.950 0.114 0.000 2.051 661 F HA -0.145 4.419 4.527 0.061 0.000 0.296 661 F C 2.135 177.988 175.800 0.087 0.000 1.122 661 F CA 0.945 59.029 58.000 0.140 0.000 1.201 661 F CB -0.680 38.474 39.000 0.256 0.000 0.978 661 F HN 0.478 nan 8.300 nan 0.000 0.472 662 I N 1.251 121.864 120.570 0.070 0.000 2.127 662 I HA -0.279 3.926 4.170 0.058 0.000 0.241 662 I C 2.121 178.208 176.117 -0.050 0.000 1.075 662 I CA 2.154 63.388 61.300 -0.110 0.000 1.334 662 I CB -1.185 36.735 38.000 -0.133 0.000 1.040 662 I HN 0.216 nan 8.210 nan 0.000 0.405 663 D N 0.009 120.387 120.400 -0.038 0.000 2.315 663 D HA -0.170 4.505 4.640 0.058 0.000 0.211 663 D C 1.859 178.164 176.300 0.008 0.000 0.977 663 D CA 1.402 55.386 54.000 -0.026 0.000 0.894 663 D CB 0.007 40.788 40.800 -0.030 0.000 0.910 663 D HN 0.520 nan 8.370 nan 0.000 0.490 664 A N -0.658 122.186 122.820 0.039 0.000 2.035 664 A HA 0.192 4.547 4.320 0.058 0.000 0.208 664 A C 2.260 179.928 177.584 0.141 0.000 1.206 664 A CA -0.072 52.011 52.037 0.077 0.000 0.773 664 A CB -0.180 18.823 19.000 0.005 0.000 0.878 664 A HN 0.258 nan 8.150 nan 0.000 0.469 665 I N -0.149 120.476 120.570 0.093 0.000 2.286 665 I HA -0.224 3.981 4.170 0.058 0.000 0.248 665 I C 2.463 178.619 176.117 0.065 0.000 1.115 665 I CA 1.721 63.064 61.300 0.071 0.000 1.392 665 I CB -0.170 37.786 38.000 -0.074 0.000 1.065 665 I HN 0.363 nan 8.210 nan 0.000 0.418 666 E N 1.598 121.818 120.200 0.033 0.000 2.051 666 E HA -0.250 4.135 4.350 0.058 0.000 0.192 666 E C 1.745 178.372 176.600 0.046 0.000 0.991 666 E CA 1.500 57.915 56.400 0.026 0.000 0.799 666 E CB -0.039 29.664 29.700 0.004 0.000 0.748 666 E HN 0.631 nan 8.360 nan 0.000 0.449 667 E N -1.440 118.799 120.200 0.065 0.000 2.476 667 E HA 0.072 4.457 4.350 0.058 0.000 0.191 667 E C 0.435 177.092 176.600 0.095 0.000 1.064 667 E CA 0.432 56.875 56.400 0.071 0.000 0.866 667 E CB 0.183 29.925 29.700 0.071 0.000 0.952 667 E HN 0.198 nan 8.360 nan 0.000 0.492 668 N N -0.174 118.598 118.700 0.120 0.000 2.026 668 N HA 0.197 4.972 4.740 0.058 0.000 0.239 668 N C -0.360 175.240 175.510 0.150 0.000 1.283 668 N CA 0.232 53.361 53.050 0.132 0.000 0.816 668 N CB 1.935 40.526 38.487 0.175 0.000 1.263 668 N HN 0.223 nan 8.380 nan 0.000 0.470 669 G N 0.808 109.702 108.800 0.156 0.000 2.907 669 G HA2 0.167 4.161 3.960 0.058 0.000 0.686 669 G HA3 0.167 4.161 3.960 0.058 0.000 0.686 669 G C 0.635 175.657 174.900 0.203 0.000 1.115 669 G CA -0.370 44.839 45.100 0.182 0.000 0.760 669 G HN 0.350 nan 8.290 nan 0.000 0.620 670 A N 1.891 124.836 122.820 0.209 0.000 1.862 670 A HA -0.128 4.227 4.320 0.058 0.000 0.217 670 A C 2.253 179.972 177.584 0.225 0.000 1.251 670 A CA 2.816 54.992 52.037 0.233 0.000 0.673 670 A CB -0.833 18.367 19.000 0.334 0.000 0.843 670 A HN 1.037 nan 8.150 nan 0.000 0.458 671 D N -0.631 119.895 120.400 0.209 0.000 2.191 671 D HA -0.177 4.498 4.640 0.058 0.000 0.190 671 D C 2.024 178.378 176.300 0.090 0.000 1.007 671 D CA 1.761 55.823 54.000 0.104 0.000 0.865 671 D CB -0.860 39.962 40.800 0.036 0.000 0.929 671 D HN 0.218 nan 8.370 nan 0.000 0.447 672 V N 0.610 120.590 119.914 0.109 0.000 2.214 672 V HA -0.260 3.894 4.120 0.058 0.000 0.245 672 V C 2.716 178.893 176.094 0.138 0.000 1.047 672 V CA 1.555 63.904 62.300 0.082 0.000 0.998 672 V CB -0.822 31.057 31.823 0.093 0.000 0.633 672 V HN 0.052 nan 8.190 nan 0.000 0.446 673 V N -0.151 119.900 119.914 0.228 0.000 2.226 673 V HA -0.415 3.739 4.120 0.058 0.000 0.254 673 V C 2.526 178.839 176.094 0.366 0.000 1.065 673 V CA 2.739 65.270 62.300 0.385 0.000 1.039 673 V CB -0.913 31.223 31.823 0.522 0.000 0.653 673 V HN 0.459 nan 8.190 nan 0.000 0.450 674 R N -0.776 119.921 120.500 0.329 0.000 2.154 674 R HA -0.235 4.139 4.340 0.058 0.000 0.236 674 R C 2.370 178.784 176.300 0.190 0.000 1.121 674 R CA 2.340 58.609 56.100 0.282 0.000 0.915 674 R CB -0.808 29.630 30.300 0.229 0.000 0.856 674 R HN 0.426 nan 8.270 nan 0.000 0.431 675 L N 0.383 121.689 121.223 0.139 0.000 2.079 675 L HA -0.227 4.148 4.340 0.058 0.000 0.210 675 L C 2.072 178.955 176.870 0.021 0.000 1.081 675 L CA 1.886 56.769 54.840 0.072 0.000 0.752 675 L CB -1.030 40.985 42.059 -0.073 0.000 0.896 675 L HN 0.308 nan 8.230 nan 0.000 0.433 676 Y N 0.489 120.728 120.300 -0.102 0.000 2.298 676 Y HA -0.273 4.311 4.550 0.057 0.000 0.287 676 Y C 2.405 178.177 175.900 -0.215 0.000 1.164 676 Y CA 1.515 59.506 58.100 -0.181 0.000 1.229 676 Y CB -0.059 38.233 38.460 -0.279 0.000 0.977 676 Y HN 0.145 nan 8.280 nan 0.000 0.538 677 I N -0.299 120.170 120.570 -0.168 0.000 2.130 677 I HA -0.289 3.916 4.170 0.058 0.000 0.234 677 I C 2.189 178.096 176.117 -0.350 0.000 1.067 677 I CA 1.289 62.362 61.300 -0.379 0.000 1.339 677 I CB -1.363 36.550 38.000 -0.146 0.000 1.073 677 I HN 0.243 nan 8.210 nan 0.000 0.405 678 M N 0.669 120.187 119.600 -0.137 0.000 2.192 678 M HA -0.197 4.318 4.480 0.058 0.000 0.259 678 M C 2.489 178.705 176.300 -0.140 0.000 1.071 678 M CA 1.740 56.993 55.300 -0.079 0.000 1.082 678 M CB -2.164 30.510 32.600 0.123 0.000 1.373 678 M HN 0.375 nan 8.290 nan 0.000 0.408 679 S N 0.541 116.140 115.700 -0.169 0.000 2.380 679 S HA -0.151 4.353 4.470 0.058 0.000 0.229 679 S C 1.975 176.443 174.600 -0.221 0.000 1.043 679 S CA 1.273 59.386 58.200 -0.144 0.000 1.038 679 S CB -0.190 62.951 63.200 -0.098 0.000 0.872 679 S HN 0.572 nan 8.310 nan 0.000 0.456 680 L N 0.360 121.375 121.223 -0.347 0.000 2.179 680 L HA 0.359 4.733 4.340 0.058 0.000 0.208 680 L C 1.046 177.821 176.870 -0.159 0.000 1.096 680 L CA 0.579 55.240 54.840 -0.298 0.000 0.779 680 L CB -0.402 41.398 42.059 -0.431 0.000 0.922 680 L HN 0.533 nan 8.230 nan 0.000 0.443 681 A N -0.105 122.634 122.820 -0.136 0.000 2.586 681 A HA 0.568 4.922 4.320 0.058 0.000 0.291 681 A C -1.469 176.068 177.584 -0.078 0.000 1.062 681 A CA -0.687 51.311 52.037 -0.066 0.000 0.666 681 A CB 1.215 20.231 19.000 0.026 0.000 1.281 681 A HN 0.103 nan 8.150 nan 0.000 0.421 682 E N 0.405 120.556 120.200 -0.081 0.000 2.369 682 E HA 0.704 5.089 4.350 0.058 0.000 0.270 682 E C -0.157 176.398 176.600 -0.074 0.000 0.909 682 E CA -0.794 55.511 56.400 -0.159 0.000 0.775 682 E CB 1.359 30.883 29.700 -0.294 0.000 1.270 682 E HN 0.760 nan 8.360 nan 0.000 0.445 683 H N 1.564 120.618 119.070 -0.026 0.000 1.452 683 H HA -0.220 4.371 4.556 0.058 0.000 0.090 683 H C 0.474 175.775 175.328 -0.045 0.000 0.625 683 H CA 1.842 57.865 56.048 -0.042 0.000 1.901 683 H CB -1.232 28.500 29.762 -0.051 0.000 2.257 683 H HN 0.955 nan 8.280 nan 0.000 0.961 684 D N 2.150 122.610 120.400 0.100 0.000 2.328 684 D HA 0.067 4.742 4.640 0.058 0.000 0.221 684 D C -0.257 176.004 176.300 -0.065 0.000 1.072 684 D CA 0.337 54.325 54.000 -0.020 0.000 0.850 684 D CB 0.005 40.772 40.800 -0.055 0.000 0.922 684 D HN 0.222 nan 8.370 nan 0.000 0.516 685 S N 1.416 117.108 115.700 -0.012 0.000 2.545 685 S HA 0.143 4.647 4.470 0.058 0.000 0.275 685 S C 0.045 174.639 174.600 -0.010 0.000 1.299 685 S CA -0.692 57.493 58.200 -0.025 0.000 1.048 685 S CB 1.452 64.653 63.200 0.001 0.000 0.938 685 S HN 0.118 nan 8.310 nan 0.000 0.496 686 D N 1.608 121.982 120.400 -0.044 0.000 2.377 686 D HA 0.467 5.142 4.640 0.058 0.000 0.245 686 D C -0.061 176.300 176.300 0.100 0.000 1.196 686 D CA -0.117 53.870 54.000 -0.021 0.000 0.962 686 D CB 0.410 41.166 40.800 -0.074 0.000 1.127 686 D HN 0.542 nan 8.370 nan 0.000 0.471 687 F N -1.486 118.479 119.950 0.025 0.000 2.603 687 F HA 0.528 5.091 4.527 0.059 0.000 0.317 687 F C -1.005 174.831 175.800 0.060 0.000 1.066 687 F CA -1.210 56.797 58.000 0.012 0.000 0.941 687 F CB 1.784 40.777 39.000 -0.011 0.000 1.291 687 F HN -0.053 nan 8.300 nan 0.000 0.472 688 D N 2.521 123.135 120.400 0.357 0.000 2.481 688 D HA 0.125 4.800 4.640 0.058 0.000 0.246 688 D C -1.603 174.969 176.300 0.455 0.000 1.109 688 D CA -0.214 53.950 54.000 0.275 0.000 0.845 688 D CB 0.990 41.882 40.800 0.152 0.000 1.160 688 D HN 0.705 nan 8.370 nan 0.000 0.534 689 W N 6.245 127.782 121.300 0.394 0.000 2.419 689 W HA 0.316 5.009 4.660 0.055 0.000 0.312 689 W C -0.761 175.940 176.519 0.303 0.000 1.323 689 W CA -0.313 57.311 57.345 0.465 0.000 1.293 689 W CB 0.352 30.088 29.460 0.460 0.000 1.324 689 W HN 0.407 nan 8.180 nan 0.000 0.512 690 R N 5.121 125.748 120.500 0.212 0.000 2.534 690 R HA 0.220 4.594 4.340 0.058 0.000 0.301 690 R C 1.183 177.484 176.300 0.001 0.000 0.961 690 R CA -0.812 55.387 56.100 0.165 0.000 0.871 690 R CB 2.358 32.741 30.300 0.138 0.000 1.170 690 R HN 0.494 nan 8.270 nan 0.000 0.446 691 R N 1.798 122.367 120.500 0.114 0.000 2.097 691 R HA -0.175 4.199 4.340 0.058 0.000 0.236 691 R C 1.444 177.727 176.300 -0.028 0.000 1.135 691 R CA 1.803 57.945 56.100 0.071 0.000 0.934 691 R CB 0.100 30.475 30.300 0.126 0.000 0.846 691 R HN 0.364 nan 8.270 nan 0.000 0.431 692 K N 0.759 121.165 120.400 0.010 0.000 1.987 692 K HA -0.217 4.138 4.320 0.058 0.000 0.216 692 K C 1.996 178.578 176.600 -0.030 0.000 1.051 692 K CA 1.991 58.281 56.287 0.004 0.000 0.942 692 K CB -0.660 31.858 32.500 0.031 0.000 0.722 692 K HN 0.410 nan 8.250 nan 0.000 0.444 693 E N 0.394 120.587 120.200 -0.012 0.000 2.136 693 E HA -0.222 4.163 4.350 0.058 0.000 0.208 693 E C 1.985 178.514 176.600 -0.118 0.000 1.035 693 E CA 1.711 58.127 56.400 0.027 0.000 0.838 693 E CB -0.257 29.544 29.700 0.169 0.000 0.748 693 E HN 0.089 nan 8.360 nan 0.000 0.459 694 V N 0.231 119.828 119.914 -0.528 0.000 2.548 694 V HA -0.104 4.050 4.120 0.058 0.000 0.249 694 V C 2.022 177.900 176.094 -0.360 0.000 1.055 694 V CA 2.125 63.880 62.300 -0.909 0.000 1.065 694 V CB -0.322 30.685 31.823 -1.361 0.000 0.681 694 V HN 0.402 nan 8.190 nan 0.000 0.462 695 G N -0.609 108.075 108.800 -0.194 0.000 2.421 695 G HA2 -0.317 3.678 3.960 0.058 0.000 0.216 695 G HA3 -0.317 3.678 3.960 0.058 0.000 0.216 695 G C 1.629 176.510 174.900 -0.031 0.000 1.171 695 G CA 1.041 46.097 45.100 -0.073 0.000 0.775 695 G HN 0.518 nan 8.290 nan 0.000 0.543 696 K N -0.170 120.222 120.400 -0.015 0.000 2.097 696 K HA -0.024 4.330 4.320 0.058 0.000 0.206 696 K C 2.391 179.023 176.600 0.053 0.000 1.049 696 K CA 1.122 57.431 56.287 0.036 0.000 0.933 696 K CB -0.232 32.303 32.500 0.058 0.000 0.717 696 K HN 0.265 nan 8.250 nan 0.000 0.442 697 L N 1.384 122.623 121.223 0.027 0.000 2.201 697 L HA -0.089 4.286 4.340 0.058 0.000 0.212 697 L C 2.247 179.118 176.870 0.002 0.000 1.105 697 L CA 1.451 56.310 54.840 0.032 0.000 0.775 697 L CB -0.469 41.618 42.059 0.048 0.000 0.913 697 L HN 0.117 nan 8.230 nan 0.000 0.440 698 R N -0.263 120.235 120.500 -0.004 0.000 2.070 698 R HA -0.161 4.214 4.340 0.058 0.000 0.233 698 R C 2.316 178.671 176.300 0.091 0.000 1.137 698 R CA 1.746 57.869 56.100 0.038 0.000 0.945 698 R CB -0.143 30.174 30.300 0.029 0.000 0.845 698 R HN 0.358 nan 8.270 nan 0.000 0.430 699 K N 0.257 120.707 120.400 0.082 0.000 2.020 699 K HA -0.262 4.092 4.320 0.058 0.000 0.212 699 K C 2.247 178.937 176.600 0.150 0.000 1.050 699 K CA 2.127 58.477 56.287 0.106 0.000 0.929 699 K CB -0.242 32.311 32.500 0.088 0.000 0.714 699 K HN 0.201 nan 8.250 nan 0.000 0.443 700 Q N 0.449 120.341 119.800 0.154 0.000 2.173 700 Q HA -0.170 4.205 4.340 0.058 0.000 0.208 700 Q C 2.019 178.210 176.000 0.319 0.000 0.989 700 Q CA 1.397 57.336 55.803 0.227 0.000 0.872 700 Q CB -0.055 28.820 28.738 0.228 0.000 0.909 700 Q HN 0.266 nan 8.270 nan 0.000 0.420 701 I N 0.497 121.199 120.570 0.220 0.000 2.179 701 I HA -0.236 3.968 4.170 0.058 0.000 0.242 701 I C 1.903 178.239 176.117 0.365 0.000 1.088 701 I CA 1.531 62.980 61.300 0.249 0.000 1.357 701 I CB -1.088 36.978 38.000 0.110 0.000 1.051 701 I HN 0.339 nan 8.210 nan 0.000 0.409 702 E N 0.357 120.743 120.200 0.310 0.000 2.038 702 E HA -0.282 4.102 4.350 0.058 0.000 0.195 702 E C 2.263 179.032 176.600 0.281 0.000 1.000 702 E CA 1.520 58.118 56.400 0.330 0.000 0.803 702 E CB -0.199 29.635 29.700 0.223 0.000 0.750 702 E HN 0.214 nan 8.360 nan 0.000 0.448 703 R N 0.604 121.244 120.500 0.232 0.000 2.113 703 R HA -0.233 4.142 4.340 0.058 0.000 0.244 703 R C 2.067 178.482 176.300 0.190 0.000 1.142 703 R CA 1.781 57.995 56.100 0.191 0.000 0.953 703 R CB -0.778 29.641 30.300 0.198 0.000 0.860 703 R HN 0.244 nan 8.270 nan 0.000 0.438 704 F N 0.100 120.114 119.950 0.108 0.000 2.046 704 F HA -0.232 4.335 4.527 0.066 0.000 0.297 704 F C 1.932 177.657 175.800 -0.123 0.000 1.123 704 F CA 1.871 59.836 58.000 -0.058 0.000 1.199 704 F CB -1.309 37.677 39.000 -0.023 0.000 0.972 704 F HN 0.170 nan 8.300 nan 0.000 0.474 705 Y N 1.583 121.644 120.300 -0.399 0.000 1.993 705 Y HA -0.360 4.202 4.550 0.021 0.000 0.267 705 Y C 2.539 178.231 175.900 -0.347 0.000 1.155 705 Y CA 2.652 60.469 58.100 -0.472 0.000 1.105 705 Y CB -0.749 37.692 38.460 -0.032 0.000 0.960 705 Y HN 0.315 nan 8.280 nan 0.000 0.486 706 E N 0.289 120.433 120.200 -0.093 0.000 2.045 706 E HA -0.345 4.040 4.350 0.058 0.000 0.212 706 E C 2.190 178.597 176.600 -0.322 0.000 1.039 706 E CA 1.937 58.250 56.400 -0.146 0.000 0.860 706 E CB -0.882 28.818 29.700 -0.000 0.000 0.776 706 E HN 0.513 nan 8.360 nan 0.000 0.467 707 L N 0.809 121.843 121.223 -0.316 0.000 2.011 707 L HA -0.296 4.079 4.340 0.058 0.000 0.225 707 L C 2.611 178.988 176.870 -0.821 0.000 1.084 707 L CA 1.343 55.854 54.840 -0.548 0.000 0.791 707 L CB -0.498 41.354 42.059 -0.345 0.000 0.898 707 L HN 0.265 nan 8.230 nan 0.000 0.440 708 I N -0.854 119.311 120.570 -0.675 0.000 2.118 708 I HA -0.337 3.868 4.170 0.058 0.000 0.241 708 I C 2.640 178.517 176.117 -0.400 0.000 1.070 708 I CA 1.735 62.717 61.300 -0.530 0.000 1.327 708 I CB -1.232 36.394 38.000 -0.624 0.000 1.034 708 I HN 0.273 nan 8.210 nan 0.000 0.405 709 S N 0.435 115.860 115.700 -0.459 0.000 2.380 709 S HA -0.258 4.247 4.470 0.058 0.000 0.229 709 S C 1.845 176.365 174.600 -0.134 0.000 1.043 709 S CA 1.418 59.437 58.200 -0.302 0.000 1.038 709 S CB -0.292 62.699 63.200 -0.348 0.000 0.872 709 S HN 0.517 nan 8.310 nan 0.000 0.456 710 Q N 0.180 119.884 119.800 -0.160 0.000 1.917 710 Q HA -0.070 4.305 4.340 0.058 0.000 0.205 710 Q C 1.887 178.077 176.000 0.316 0.000 0.988 710 Q CA 1.251 57.086 55.803 0.052 0.000 0.851 710 Q CB -0.526 28.221 28.738 0.015 0.000 0.916 710 Q HN 0.466 nan 8.270 nan 0.000 0.424 711 F N 1.024 121.042 119.950 0.114 0.000 2.257 711 F HA -0.236 4.329 4.527 0.063 0.000 0.302 711 F C 2.332 178.218 175.800 0.143 0.000 1.056 711 F CA 0.882 58.847 58.000 -0.057 0.000 1.353 711 F CB -1.458 37.439 39.000 -0.172 0.000 1.064 711 F HN 0.147 nan 8.300 nan 0.000 0.520 712 A N -0.232 122.729 122.820 0.236 0.000 1.972 712 A HA -0.160 4.194 4.320 0.058 0.000 0.219 712 A C 2.234 179.920 177.584 0.170 0.000 1.169 712 A CA 1.342 53.460 52.037 0.135 0.000 0.635 712 A CB -0.345 18.665 19.000 0.016 0.000 0.810 712 A HN 0.268 nan 8.150 nan 0.000 0.446 713 E N -0.114 120.226 120.200 0.233 0.000 1.998 713 E HA -0.145 4.240 4.350 0.058 0.000 0.196 713 E C -0.036 176.661 176.600 0.162 0.000 1.003 713 E CA 0.413 56.895 56.400 0.136 0.000 0.829 713 E CB -1.043 28.690 29.700 0.054 0.000 0.777 713 E HN 0.665 nan 8.360 nan 0.000 0.460 714 Y N 2.309 122.650 120.300 0.068 0.000 3.078 714 Y HA -0.212 4.370 4.550 0.054 0.000 0.381 714 Y C 1.083 177.007 175.900 0.039 0.000 1.155 714 Y CA 0.276 58.410 58.100 0.057 0.000 1.574 714 Y CB -0.160 38.341 38.460 0.070 0.000 1.034 714 Y HN 0.004 nan 8.280 nan 0.000 0.579 715 E N 2.417 122.688 120.200 0.119 0.000 2.413 715 E HA 0.027 4.412 4.350 0.058 0.000 0.263 715 E C -0.343 176.320 176.600 0.105 0.000 1.015 715 E CA -0.144 56.306 56.400 0.083 0.000 0.916 715 E CB 1.115 30.844 29.700 0.048 0.000 0.947 715 E HN 0.389 nan 8.360 nan 0.000 0.440 716 V N 5.551 125.510 119.914 0.076 0.000 2.071 716 V HA -0.029 4.126 4.120 0.058 0.000 0.254 716 V C 1.564 177.707 176.094 0.082 0.000 1.456 716 V CA 0.160 62.504 62.300 0.074 0.000 1.383 716 V CB 0.043 31.892 31.823 0.044 0.000 1.433 716 V HN 0.442 nan 8.190 nan 0.000 0.499 717 K N 2.530 122.993 120.400 0.104 0.000 2.044 717 K HA 0.193 4.548 4.320 0.058 0.000 0.204 717 K C 1.134 177.799 176.600 0.108 0.000 1.045 717 K CA 1.391 57.732 56.287 0.090 0.000 0.951 717 K CB -0.045 32.502 32.500 0.078 0.000 0.738 717 K HN 0.724 nan 8.250 nan 0.000 0.443 718 G N 0.827 109.737 108.800 0.184 0.000 2.632 718 G HA2 -0.289 3.706 3.960 0.058 0.000 0.224 718 G HA3 -0.289 3.706 3.960 0.058 0.000 0.224 718 G C -0.800 174.111 174.900 0.018 0.000 1.341 718 G CA -0.015 45.202 45.100 0.194 0.000 0.880 718 G HN 0.466 nan 8.290 nan 0.000 0.566 719 N N -1.066 117.606 118.700 -0.047 0.000 2.676 719 N HA 0.026 4.801 4.740 0.058 0.000 0.290 719 N C 0.219 175.654 175.510 -0.126 0.000 1.109 719 N CA 1.449 54.444 53.050 -0.092 0.000 0.779 719 N CB -0.873 37.592 38.487 -0.037 0.000 0.947 719 N HN 1.815 nan 8.380 nan 0.000 0.566 720 V N -2.320 117.453 119.914 -0.235 0.000 3.155 720 V HA 0.725 4.880 4.120 0.058 0.000 0.313 720 V C 0.178 176.156 176.094 -0.193 0.000 1.162 720 V CA -1.014 61.167 62.300 -0.198 0.000 1.048 720 V CB 2.353 34.043 31.823 -0.221 0.000 1.092 720 V HN 0.143 nan 8.190 nan 0.000 0.447 721 E N 2.352 122.474 120.200 -0.130 0.000 2.561 721 E HA 0.424 4.808 4.350 0.058 0.000 0.225 721 E C -0.340 176.207 176.600 -0.087 0.000 1.035 721 E CA -0.484 55.856 56.400 -0.100 0.000 0.904 721 E CB 0.190 29.852 29.700 -0.063 0.000 1.291 721 E HN 0.755 nan 8.360 nan 0.000 0.444 722 L N 0.813 121.966 121.223 -0.116 0.000 2.416 722 L HA 0.452 4.827 4.340 0.058 0.000 0.272 722 L C 0.646 177.504 176.870 -0.021 0.000 1.161 722 L CA -0.416 54.384 54.840 -0.066 0.000 0.845 722 L CB 0.347 42.353 42.059 -0.089 0.000 1.119 722 L HN 0.100 nan 8.230 nan 0.000 0.464 723 K N 1.735 122.142 120.400 0.011 0.000 2.273 723 K HA 0.095 4.450 4.320 0.058 0.000 0.240 723 K C 0.890 177.525 176.600 0.057 0.000 1.056 723 K CA -0.274 56.028 56.287 0.024 0.000 0.910 723 K CB 0.596 33.108 32.500 0.019 0.000 1.196 723 K HN 0.646 nan 8.250 nan 0.000 0.509 724 D N 0.631 121.071 120.400 0.067 0.000 2.097 724 D HA -0.162 4.512 4.640 0.058 0.000 0.197 724 D C 1.663 178.061 176.300 0.164 0.000 0.984 724 D CA 0.916 54.980 54.000 0.107 0.000 0.826 724 D CB -0.082 40.776 40.800 0.096 0.000 0.973 724 D HN 0.343 nan 8.370 nan 0.000 0.460 725 I N 1.672 122.320 120.570 0.131 0.000 2.623 725 I HA -0.253 3.952 4.170 0.058 0.000 0.261 725 I C 0.937 177.234 176.117 0.300 0.000 1.204 725 I CA 1.436 62.823 61.300 0.144 0.000 1.444 725 I CB -0.166 37.865 38.000 0.052 0.000 1.094 725 I HN -0.154 nan 8.210 nan 0.000 0.451 726 D N 0.101 120.660 120.400 0.265 0.000 2.162 726 D HA -0.033 4.642 4.640 0.058 0.000 0.205 726 D C 2.208 178.605 176.300 0.162 0.000 0.964 726 D CA 0.822 54.959 54.000 0.229 0.000 0.847 726 D CB -0.281 40.625 40.800 0.176 0.000 0.988 726 D HN 0.400 nan 8.370 nan 0.000 0.480 727 R N -0.258 120.350 120.500 0.180 0.000 2.152 727 R HA -0.118 4.256 4.340 0.058 0.000 0.232 727 R C 2.062 178.556 176.300 0.323 0.000 1.117 727 R CA 0.751 56.962 56.100 0.186 0.000 0.981 727 R CB -0.441 29.952 30.300 0.155 0.000 0.870 727 R HN 0.318 nan 8.270 nan 0.000 0.451 728 W N 1.735 123.106 121.300 0.119 0.000 2.423 728 W HA -0.157 4.537 4.660 0.056 0.000 0.321 728 W C 2.232 178.819 176.519 0.115 0.000 1.180 728 W CA 0.826 58.262 57.345 0.152 0.000 1.322 728 W CB -0.287 29.276 29.460 0.172 0.000 1.174 728 W HN -0.110 nan 8.180 nan 0.000 0.470 729 M N 0.705 120.751 119.600 0.743 0.000 2.419 729 M HA -0.201 4.314 4.480 0.058 0.000 0.260 729 M C 1.495 177.853 176.300 0.097 0.000 1.073 729 M CA 1.687 57.171 55.300 0.307 0.000 1.056 729 M CB -0.634 31.685 32.600 -0.468 0.000 1.394 729 M HN 0.230 nan 8.290 nan 0.000 0.444 730 L N -2.247 119.115 121.223 0.231 0.000 2.375 730 L HA -0.099 4.275 4.340 0.058 0.000 0.215 730 L C 2.475 179.663 176.870 0.530 0.000 1.108 730 L CA 0.649 55.817 54.840 0.547 0.000 0.830 730 L CB -0.787 41.548 42.059 0.459 0.000 0.959 730 L HN 0.488 nan 8.230 nan 0.000 0.457 731 H N 0.525 119.686 119.070 0.151 0.000 2.307 731 H HA -0.081 4.510 4.556 0.058 0.000 0.303 731 H C 2.074 177.219 175.328 -0.306 0.000 1.073 731 H CA 0.945 56.944 56.048 -0.081 0.000 1.338 731 H CB 0.403 30.051 29.762 -0.189 0.000 1.389 731 H HN 0.089 nan 8.280 nan 0.000 0.503 732 R N 0.881 121.085 120.500 -0.494 0.000 2.127 732 R HA -0.112 4.262 4.340 0.058 0.000 0.238 732 R C 2.533 178.611 176.300 -0.371 0.000 1.134 732 R CA 0.323 56.100 56.100 -0.537 0.000 0.975 732 R CB -0.933 29.015 30.300 -0.586 0.000 0.865 732 R HN 0.391 nan 8.270 nan 0.000 0.447 733 L N 1.425 122.488 121.223 -0.268 0.000 1.976 733 L HA -0.189 4.186 4.340 0.058 0.000 0.209 733 L C 1.844 178.509 176.870 -0.342 0.000 1.071 733 L CA 1.806 56.503 54.840 -0.237 0.000 0.746 733 L CB -0.890 41.105 42.059 -0.107 0.000 0.890 733 L HN 0.168 nan 8.230 nan 0.000 0.432 734 N N 0.554 118.973 118.700 -0.468 0.000 2.091 734 N HA -0.269 4.505 4.740 0.058 0.000 0.193 734 N C 1.816 177.070 175.510 -0.428 0.000 1.021 734 N CA 1.651 54.408 53.050 -0.489 0.000 0.862 734 N CB -0.092 38.113 38.487 -0.470 0.000 1.018 734 N HN 0.348 nan 8.380 nan 0.000 0.429 735 K N 0.303 120.342 120.400 -0.601 0.000 1.973 735 K HA -0.043 4.312 4.320 0.058 0.000 0.212 735 K C 1.941 178.256 176.600 -0.475 0.000 1.047 735 K CA 1.481 57.391 56.287 -0.628 0.000 0.937 735 K CB -0.313 31.780 32.500 -0.678 0.000 0.721 735 K HN 0.115 nan 8.250 nan 0.000 0.440 736 A N 1.245 123.912 122.820 -0.254 0.000 1.986 736 A HA -0.181 4.173 4.320 0.058 0.000 0.220 736 A C 2.069 179.589 177.584 -0.106 0.000 1.171 736 A CA 1.663 53.695 52.037 -0.008 0.000 0.640 736 A CB -0.757 18.300 19.000 0.095 0.000 0.811 736 A HN 0.409 nan 8.150 nan 0.000 0.451 737 I N -0.930 119.528 120.570 -0.187 0.000 2.142 737 I HA -0.274 3.931 4.170 0.058 0.000 0.240 737 I C 2.579 178.656 176.117 -0.066 0.000 1.078 737 I CA 1.974 63.174 61.300 -0.166 0.000 1.343 737 I CB -0.361 37.497 38.000 -0.237 0.000 1.046 737 I HN 0.367 nan 8.210 nan 0.000 0.405 738 K N 0.797 121.122 120.400 -0.126 0.000 1.984 738 K HA -0.196 4.159 4.320 0.058 0.000 0.209 738 K C 2.169 178.671 176.600 -0.163 0.000 1.046 738 K CA 1.373 57.614 56.287 -0.078 0.000 0.934 738 K CB 0.011 32.468 32.500 -0.071 0.000 0.717 738 K HN 0.092 nan 8.250 nan 0.000 0.438 739 E N 0.285 120.217 120.200 -0.447 0.000 2.114 739 E HA -0.197 4.188 4.350 0.058 0.000 0.199 739 E C 2.035 178.448 176.600 -0.312 0.000 1.008 739 E CA 1.661 57.661 56.400 -0.668 0.000 0.810 739 E CB -0.570 28.014 29.700 -1.862 0.000 0.739 739 E HN 0.384 nan 8.360 nan 0.000 0.456 740 T N 0.715 115.216 114.554 -0.088 0.000 2.674 740 T HA -0.118 4.266 4.350 0.058 0.000 0.265 740 T C 1.892 176.691 174.700 0.164 0.000 1.039 740 T CA 2.076 64.272 62.100 0.161 0.000 1.150 740 T CB -0.528 68.541 68.868 0.335 0.000 0.864 740 T HN 0.251 nan 8.240 nan 0.000 0.427 741 T N 2.377 117.132 114.554 0.335 0.000 2.760 741 T HA -0.167 4.217 4.350 0.058 0.000 0.269 741 T C 1.750 176.432 174.700 -0.030 0.000 1.047 741 T CA 1.488 63.726 62.100 0.230 0.000 1.139 741 T CB -0.547 68.567 68.868 0.410 0.000 0.855 741 T HN 0.544 nan 8.240 nan 0.000 0.471 742 N N 1.067 119.745 118.700 -0.036 0.000 2.085 742 N HA 0.060 4.834 4.740 0.058 0.000 0.191 742 N C 2.428 177.867 175.510 -0.119 0.000 1.058 742 N CA 0.744 53.753 53.050 -0.067 0.000 0.849 742 N CB -0.353 38.091 38.487 -0.070 0.000 1.038 742 N HN 0.312 nan 8.380 nan 0.000 0.434 743 A N 1.871 124.631 122.820 -0.100 0.000 1.969 743 A HA -0.232 4.123 4.320 0.058 0.000 0.223 743 A C 2.157 179.607 177.584 -0.222 0.000 1.218 743 A CA 1.552 53.528 52.037 -0.102 0.000 0.667 743 A CB -1.073 17.907 19.000 -0.032 0.000 0.826 743 A HN 0.255 nan 8.150 nan 0.000 0.472 744 L N -1.344 119.638 121.223 -0.402 0.000 2.023 744 L HA -0.122 4.253 4.340 0.058 0.000 0.205 744 L C 2.606 179.044 176.870 -0.720 0.000 1.073 744 L CA 1.409 55.759 54.840 -0.817 0.000 0.745 744 L CB -0.908 40.167 42.059 -1.639 0.000 0.900 744 L HN 0.392 nan 8.230 nan 0.000 0.435 745 E N 0.713 120.634 120.200 -0.464 0.000 2.233 745 E HA -0.231 4.154 4.350 0.058 0.000 0.199 745 E C 0.936 177.550 176.600 0.023 0.000 1.004 745 E CA 1.258 57.593 56.400 -0.109 0.000 0.819 745 E CB -0.104 29.609 29.700 0.022 0.000 0.738 745 E HN 0.600 nan 8.360 nan 0.000 0.478 746 E N -0.493 119.706 120.200 -0.002 0.000 2.609 746 E HA 0.088 4.473 4.350 0.058 0.000 0.208 746 E C -0.653 176.080 176.600 0.222 0.000 1.013 746 E CA -0.434 56.052 56.400 0.143 0.000 1.093 746 E CB -0.008 29.755 29.700 0.105 0.000 1.129 746 E HN 0.018 nan 8.360 nan 0.000 0.450 747 F N 0.835 120.577 119.950 -0.347 0.000 3.079 747 F HA -0.301 4.262 4.527 0.060 0.000 0.274 747 F C 0.300 175.852 175.800 -0.413 0.000 0.940 747 F CA 0.672 58.447 58.000 -0.376 0.000 0.932 747 F CB -1.893 36.889 39.000 -0.362 0.000 0.891 747 F HN 0.182 nan 8.300 nan 0.000 0.722 748 R N 0.025 120.388 120.500 -0.227 0.000 4.048 748 R HA 0.206 4.581 4.340 0.058 0.000 0.290 748 R C 1.664 177.847 176.300 -0.196 0.000 1.519 748 R CA 0.564 56.478 56.100 -0.309 0.000 1.446 748 R CB 0.071 30.260 30.300 -0.186 0.000 1.455 748 R HN 0.499 nan 8.270 nan 0.000 0.706 749 T N -0.862 113.585 114.554 -0.180 0.000 2.531 749 T HA -0.376 4.009 4.350 0.058 0.000 0.261 749 T C 1.925 176.580 174.700 -0.075 0.000 1.141 749 T CA 1.557 63.614 62.100 -0.071 0.000 1.176 749 T CB -0.165 68.668 68.868 -0.058 0.000 0.863 749 T HN 0.450 nan 8.240 nan 0.000 0.424 750 R N 0.990 121.424 120.500 -0.110 0.000 2.134 750 R HA -0.183 4.192 4.340 0.058 0.000 0.248 750 R C 2.543 178.786 176.300 -0.096 0.000 1.143 750 R CA 2.407 58.438 56.100 -0.114 0.000 0.957 750 R CB -1.075 29.153 30.300 -0.121 0.000 0.867 750 R HN 0.618 nan 8.270 nan 0.000 0.441 751 T N 0.594 115.109 114.554 -0.065 0.000 2.614 751 T HA -0.124 4.260 4.350 0.058 0.000 0.263 751 T C 1.826 176.563 174.700 0.063 0.000 1.055 751 T CA 1.486 63.592 62.100 0.010 0.000 1.162 751 T CB -0.655 68.248 68.868 0.058 0.000 0.863 751 T HN 0.525 nan 8.240 nan 0.000 0.414 752 A N 1.380 124.229 122.820 0.048 0.000 1.879 752 A HA -0.221 4.134 4.320 0.058 0.000 0.222 752 A C 2.538 180.097 177.584 -0.041 0.000 1.368 752 A CA 2.541 54.616 52.037 0.063 0.000 0.707 752 A CB -1.514 17.523 19.000 0.063 0.000 0.846 752 A HN 0.327 nan 8.150 nan 0.000 0.468 753 V N -0.015 119.746 119.914 -0.255 0.000 2.428 753 V HA -0.337 3.818 4.120 0.058 0.000 0.255 753 V C 2.753 178.862 176.094 0.024 0.000 1.080 753 V CA 2.429 64.560 62.300 -0.282 0.000 1.083 753 V CB -0.750 30.921 31.823 -0.254 0.000 0.665 753 V HN 0.633 nan 8.190 nan 0.000 0.461 754 Q N -2.015 117.759 119.800 -0.044 0.000 2.230 754 Q HA -0.163 4.212 4.340 0.058 0.000 0.202 754 Q C 1.934 177.726 176.000 -0.347 0.000 0.963 754 Q CA 1.612 57.314 55.803 -0.169 0.000 0.866 754 Q CB -0.023 28.529 28.738 -0.310 0.000 0.931 754 Q HN 0.803 nan 8.270 nan 0.000 0.452 755 W N 0.036 121.309 121.300 -0.045 0.000 2.651 755 W HA 0.095 4.789 4.660 0.056 0.000 0.311 755 W C 2.434 178.908 176.519 -0.074 0.000 1.114 755 W CA 0.775 58.076 57.345 -0.073 0.000 1.490 755 W CB -0.858 28.559 29.460 -0.072 0.000 1.182 755 W HN 0.044 nan 8.180 nan 0.000 0.495 756 A N -0.703 122.239 122.820 0.204 0.000 2.054 756 A HA -0.237 4.117 4.320 0.058 0.000 0.223 756 A C 1.552 179.234 177.584 0.164 0.000 1.169 756 A CA 2.149 54.276 52.037 0.150 0.000 0.655 756 A CB -0.716 18.376 19.000 0.153 0.000 0.812 756 A HN 0.402 nan 8.150 nan 0.000 0.462 757 F N -2.973 116.954 119.950 -0.039 0.000 2.294 757 F HA 0.295 4.855 4.527 0.055 0.000 0.241 757 F C 1.901 177.684 175.800 -0.027 0.000 1.009 757 F CA 0.050 58.036 58.000 -0.023 0.000 1.165 757 F CB -0.675 38.190 39.000 -0.225 0.000 1.445 757 F HN 0.087 nan 8.300 nan 0.000 0.632 758 Y N 0.633 120.771 120.300 -0.270 0.000 2.228 758 Y HA -0.257 4.330 4.550 0.061 0.000 0.285 758 Y C 2.931 178.622 175.900 -0.348 0.000 1.178 758 Y CA 1.854 59.773 58.100 -0.302 0.000 1.202 758 Y CB -0.999 37.399 38.460 -0.104 0.000 0.974 758 Y HN 0.262 nan 8.280 nan 0.000 0.527 759 S N 0.241 115.804 115.700 -0.230 0.000 2.343 759 S HA -0.170 4.335 4.470 0.058 0.000 0.212 759 S C 2.032 176.451 174.600 -0.302 0.000 1.033 759 S CA 1.411 59.414 58.200 -0.327 0.000 1.004 759 S CB -0.656 62.276 63.200 -0.447 0.000 0.977 759 S HN 0.374 nan 8.310 nan 0.000 0.427 760 I N 1.156 121.496 120.570 -0.383 0.000 2.113 760 I HA -0.292 3.913 4.170 0.058 0.000 0.242 760 I C 2.699 178.453 176.117 -0.605 0.000 1.057 760 I CA 2.173 63.121 61.300 -0.586 0.000 1.314 760 I CB -0.675 36.676 38.000 -1.081 0.000 1.022 760 I HN 0.448 nan 8.210 nan 0.000 0.408 761 M N 1.516 120.743 119.600 -0.620 0.000 2.352 761 M HA -0.307 4.208 4.480 0.058 0.000 0.260 761 M C 1.789 178.012 176.300 -0.129 0.000 1.068 761 M CA 2.407 57.502 55.300 -0.342 0.000 1.082 761 M CB -0.829 31.567 32.600 -0.340 0.000 1.262 761 M HN 0.138 nan 8.290 nan 0.000 0.444 762 N N 0.156 118.799 118.700 -0.095 0.000 2.007 762 N HA -0.207 4.568 4.740 0.058 0.000 0.197 762 N C 1.347 176.931 175.510 0.124 0.000 1.050 762 N CA 2.062 55.126 53.050 0.023 0.000 0.856 762 N CB -0.386 38.094 38.487 -0.011 0.000 1.050 762 N HN 0.445 nan 8.380 nan 0.000 0.423 763 D N 0.095 120.549 120.400 0.090 0.000 2.170 763 D HA -0.179 4.496 4.640 0.058 0.000 0.193 763 D C 1.932 178.477 176.300 0.408 0.000 1.004 763 D CA 0.790 54.970 54.000 0.301 0.000 0.860 763 D CB -0.467 40.386 40.800 0.089 0.000 0.931 763 D HN 0.206 nan 8.370 nan 0.000 0.448 764 L N 0.831 122.163 121.223 0.181 0.000 2.056 764 L HA -0.066 4.309 4.340 0.058 0.000 0.207 764 L C 2.261 179.303 176.870 0.287 0.000 1.078 764 L CA 1.543 56.518 54.840 0.224 0.000 0.749 764 L CB -0.378 41.740 42.059 0.099 0.000 0.901 764 L HN -0.135 nan 8.230 nan 0.000 0.433 765 R N -1.661 118.977 120.500 0.231 0.000 2.127 765 R HA -0.250 4.125 4.340 0.058 0.000 0.238 765 R C 2.078 178.512 176.300 0.223 0.000 1.134 765 R CA 1.835 58.062 56.100 0.212 0.000 0.975 765 R CB -0.601 29.810 30.300 0.186 0.000 0.865 765 R HN 0.575 nan 8.270 nan 0.000 0.447 766 W N 0.262 121.634 121.300 0.121 0.000 2.408 766 W HA -0.167 4.527 4.660 0.057 0.000 0.311 766 W C 1.983 178.530 176.519 0.047 0.000 1.190 766 W CA 1.371 58.761 57.345 0.075 0.000 1.321 766 W CB -0.984 28.523 29.460 0.079 0.000 1.143 766 W HN 0.117 nan 8.180 nan 0.000 0.501 767 Y N 0.738 121.031 120.300 -0.012 0.000 2.102 767 Y HA -0.344 4.240 4.550 0.056 0.000 0.280 767 Y C 2.149 177.921 175.900 -0.213 0.000 1.178 767 Y CA 2.518 60.523 58.100 -0.158 0.000 1.146 767 Y CB -0.951 37.537 38.460 0.046 0.000 0.968 767 Y HN -0.060 nan 8.280 nan 0.000 0.504 768 L N -0.126 121.042 121.223 -0.091 0.000 1.937 768 L HA -0.278 4.096 4.340 0.058 0.000 0.213 768 L C 2.738 179.401 176.870 -0.344 0.000 1.077 768 L CA 1.931 56.628 54.840 -0.238 0.000 0.758 768 L CB -0.852 41.194 42.059 -0.022 0.000 0.888 768 L HN 0.108 nan 8.230 nan 0.000 0.433 769 R N -0.173 120.161 120.500 -0.277 0.000 2.178 769 R HA -0.245 4.129 4.340 0.058 0.000 0.257 769 R C 2.471 178.348 176.300 -0.706 0.000 1.163 769 R CA 1.663 57.529 56.100 -0.391 0.000 0.981 769 R CB -0.105 30.020 30.300 -0.290 0.000 0.878 769 R HN 0.287 nan 8.270 nan 0.000 0.454 770 R N -0.547 119.478 120.500 -0.792 0.000 2.066 770 R HA -0.043 4.332 4.340 0.058 0.000 0.232 770 R C 1.184 177.065 176.300 -0.699 0.000 1.131 770 R CA 1.818 57.380 56.100 -0.898 0.000 0.955 770 R CB -0.388 29.411 30.300 -0.835 0.000 0.851 770 R HN 0.287 nan 8.270 nan 0.000 0.432 771 T N -0.030 114.158 114.554 -0.609 0.000 3.218 771 T HA 0.217 4.601 4.350 0.058 0.000 0.241 771 T C 0.300 174.753 174.700 -0.412 0.000 0.929 771 T CA -0.410 61.392 62.100 -0.498 0.000 0.979 771 T CB 0.372 68.888 68.868 -0.586 0.000 1.129 771 T HN 0.153 nan 8.240 nan 0.000 0.559 772 E N 0.976 120.933 120.200 -0.406 0.000 2.409 772 E HA 0.372 4.757 4.350 0.058 0.000 0.257 772 E C 1.437 177.904 176.600 -0.222 0.000 1.150 772 E CA 0.442 56.667 56.400 -0.291 0.000 0.942 772 E CB -0.016 29.504 29.700 -0.300 0.000 0.979 772 E HN 0.438 nan 8.360 nan 0.000 0.447 773 G N 1.942 110.649 108.800 -0.155 0.000 2.200 773 G HA2 -0.367 3.628 3.960 0.058 0.000 0.268 773 G HA3 -0.367 3.628 3.960 0.058 0.000 0.268 773 G C 0.336 175.172 174.900 -0.107 0.000 0.986 773 G CA 1.165 46.197 45.100 -0.115 0.000 0.677 773 G HN 0.586 nan 8.290 nan 0.000 0.532 774 R N -0.125 120.297 120.500 -0.130 0.000 2.787 774 R HA 0.605 4.979 4.340 0.058 0.000 0.271 774 R C -1.522 174.726 176.300 -0.086 0.000 0.993 774 R CA -0.356 55.676 56.100 -0.113 0.000 0.993 774 R CB 1.288 31.498 30.300 -0.149 0.000 1.155 774 R HN 0.034 nan 8.270 nan 0.000 0.486 775 D N 2.087 122.456 120.400 -0.051 0.000 2.926 775 D HA 0.073 4.748 4.640 0.058 0.000 0.234 775 D C -1.580 174.726 176.300 0.010 0.000 1.434 775 D CA -0.352 53.643 54.000 -0.007 0.000 0.951 775 D CB 0.288 41.095 40.800 0.013 0.000 1.500 775 D HN 0.632 nan 8.370 nan 0.000 0.558 776 D N 0.136 120.544 120.400 0.013 0.000 2.442 776 D HA 0.187 4.862 4.640 0.058 0.000 0.254 776 D C 0.846 177.176 176.300 0.050 0.000 1.069 776 D CA -0.607 53.404 54.000 0.018 0.000 1.017 776 D CB 1.332 42.132 40.800 -0.000 0.000 1.172 776 D HN 0.162 nan 8.370 nan 0.000 0.561 777 E N -0.378 119.845 120.200 0.040 0.000 2.233 777 E HA -0.236 4.149 4.350 0.058 0.000 0.199 777 E C 1.716 178.365 176.600 0.083 0.000 1.004 777 E CA 1.259 57.695 56.400 0.060 0.000 0.819 777 E CB -0.008 29.710 29.700 0.030 0.000 0.738 777 E HN 0.537 nan 8.360 nan 0.000 0.478 778 A N 1.152 124.003 122.820 0.052 0.000 1.850 778 A HA -0.123 4.232 4.320 0.058 0.000 0.212 778 A C 2.025 179.685 177.584 0.127 0.000 1.208 778 A CA 1.262 53.332 52.037 0.054 0.000 0.609 778 A CB -0.383 18.618 19.000 0.001 0.000 0.860 778 A HN 0.109 nan 8.150 nan 0.000 0.448 779 K N -0.256 120.201 120.400 0.094 0.000 2.228 779 K HA -0.205 4.150 4.320 0.058 0.000 0.205 779 K C 2.192 178.831 176.600 0.066 0.000 1.045 779 K CA 1.421 57.766 56.287 0.096 0.000 0.931 779 K CB -0.135 32.354 32.500 -0.017 0.000 0.727 779 K HN 0.448 nan 8.250 nan 0.000 0.458 780 R N -0.646 119.926 120.500 0.120 0.000 2.070 780 R HA -0.164 4.211 4.340 0.058 0.000 0.227 780 R C 2.278 178.613 176.300 0.058 0.000 1.147 780 R CA 1.736 57.922 56.100 0.144 0.000 0.924 780 R CB -0.915 29.607 30.300 0.370 0.000 0.827 780 R HN 0.269 nan 8.270 nan 0.000 0.431 781 Y N 2.108 122.413 120.300 0.008 0.000 2.029 781 Y HA -0.400 4.186 4.550 0.060 0.000 0.269 781 Y C 2.176 178.046 175.900 -0.049 0.000 1.201 781 Y CA 2.084 60.175 58.100 -0.016 0.000 1.115 781 Y CB -0.780 37.663 38.460 -0.028 0.000 0.945 781 Y HN -0.161 nan 8.280 nan 0.000 0.497 782 V N 0.178 120.211 119.914 0.198 0.000 2.227 782 V HA -0.422 3.733 4.120 0.058 0.000 0.249 782 V C 2.423 178.433 176.094 -0.141 0.000 1.046 782 V CA 2.294 64.618 62.300 0.040 0.000 1.015 782 V CB -1.187 30.700 31.823 0.107 0.000 0.648 782 V HN 0.489 nan 8.190 nan 0.000 0.460 783 L N -0.408 120.684 121.223 -0.219 0.000 2.064 783 L HA -0.217 4.157 4.340 0.058 0.000 0.216 783 L C 2.534 179.172 176.870 -0.386 0.000 1.077 783 L CA 1.952 56.454 54.840 -0.563 0.000 0.766 783 L CB -1.120 40.232 42.059 -1.178 0.000 0.890 783 L HN 0.288 nan 8.230 nan 0.000 0.435 784 R N -0.755 119.572 120.500 -0.287 0.000 2.093 784 R HA -0.058 4.316 4.340 0.058 0.000 0.224 784 R C 2.187 178.456 176.300 -0.052 0.000 1.101 784 R CA 1.633 57.672 56.100 -0.101 0.000 0.979 784 R CB -0.318 29.955 30.300 -0.046 0.000 0.877 784 R HN 0.615 nan 8.270 nan 0.000 0.441 785 T N -1.202 113.247 114.554 -0.176 0.000 3.014 785 T HA -0.019 4.366 4.350 0.058 0.000 0.263 785 T C 2.091 176.827 174.700 0.059 0.000 1.078 785 T CA 0.485 62.510 62.100 -0.124 0.000 1.135 785 T CB -0.309 68.317 68.868 -0.404 0.000 0.895 785 T HN 0.173 nan 8.240 nan 0.000 0.480 786 L N 1.206 122.468 121.223 0.064 0.000 1.989 786 L HA -0.036 4.339 4.340 0.058 0.000 0.211 786 L C 3.007 180.049 176.870 0.286 0.000 1.071 786 L CA 1.863 56.796 54.840 0.155 0.000 0.749 786 L CB -0.992 41.136 42.059 0.116 0.000 0.890 786 L HN 0.381 nan 8.230 nan 0.000 0.431 787 A N -0.012 123.008 122.820 0.334 0.000 1.884 787 A HA -0.385 3.969 4.320 0.058 0.000 0.219 787 A C 1.898 179.673 177.584 0.319 0.000 1.197 787 A CA 2.433 54.705 52.037 0.391 0.000 0.637 787 A CB -1.150 18.047 19.000 0.328 0.000 0.827 787 A HN 0.693 nan 8.150 nan 0.000 0.450 788 D N -0.676 119.870 120.400 0.244 0.000 2.103 788 D HA -0.144 4.530 4.640 0.058 0.000 0.190 788 D C 1.816 178.286 176.300 0.282 0.000 0.997 788 D CA 2.032 56.197 54.000 0.275 0.000 0.833 788 D CB -0.259 40.666 40.800 0.209 0.000 0.961 788 D HN 0.191 nan 8.370 nan 0.000 0.447 789 V N -0.296 119.746 119.914 0.214 0.000 2.216 789 V HA -0.205 3.950 4.120 0.058 0.000 0.242 789 V C 2.166 178.398 176.094 0.230 0.000 1.042 789 V CA 1.850 64.227 62.300 0.130 0.000 0.991 789 V CB -1.207 30.644 31.823 0.046 0.000 0.633 789 V HN 0.408 nan 8.190 nan 0.000 0.449 790 W N 0.655 122.001 121.300 0.077 0.000 2.255 790 W HA -0.287 4.415 4.660 0.070 0.000 0.318 790 W C 2.361 178.996 176.519 0.193 0.000 1.277 790 W CA 2.322 59.742 57.345 0.125 0.000 1.286 790 W CB -1.004 28.589 29.460 0.220 0.000 1.132 790 W HN 0.111 nan 8.180 nan 0.000 0.504 791 V N 1.091 121.233 119.914 0.381 0.000 2.307 791 V HA -0.271 3.884 4.120 0.058 0.000 0.245 791 V C 2.646 178.837 176.094 0.161 0.000 1.045 791 V CA 2.266 64.724 62.300 0.263 0.000 1.024 791 V CB -0.716 31.273 31.823 0.277 0.000 0.651 791 V HN 0.098 nan 8.190 nan 0.000 0.449 792 R N -0.118 120.430 120.500 0.079 0.000 2.120 792 R HA -0.101 4.274 4.340 0.058 0.000 0.234 792 R C 2.220 178.492 176.300 -0.047 0.000 1.123 792 R CA 1.272 57.316 56.100 -0.093 0.000 0.975 792 R CB -0.597 29.582 30.300 -0.202 0.000 0.866 792 R HN 0.438 nan 8.270 nan 0.000 0.446 793 L N 0.362 121.594 121.223 0.015 0.000 2.005 793 L HA -0.118 4.257 4.340 0.058 0.000 0.207 793 L C 2.516 179.615 176.870 0.382 0.000 1.072 793 L CA 1.183 56.100 54.840 0.128 0.000 0.744 793 L CB -0.434 41.715 42.059 0.151 0.000 0.895 793 L HN 0.138 nan 8.230 nan 0.000 0.433 794 M N -0.357 119.440 119.600 0.327 0.000 2.630 794 M HA -0.056 4.459 4.480 0.058 0.000 0.254 794 M C 2.447 178.930 176.300 0.305 0.000 1.092 794 M CA 0.935 56.466 55.300 0.386 0.000 1.087 794 M CB -1.022 31.648 32.600 0.116 0.000 1.453 794 M HN 0.302 nan 8.290 nan 0.000 0.509 795 A N 1.765 124.703 122.820 0.197 0.000 1.929 795 A HA -0.195 4.160 4.320 0.058 0.000 0.221 795 A C -0.312 177.268 177.584 -0.007 0.000 1.211 795 A CA 2.056 54.144 52.037 0.085 0.000 0.657 795 A CB -2.050 16.982 19.000 0.053 0.000 0.827 795 A HN 0.336 nan 8.150 nan 0.000 0.462 796 P HA -0.004 nan 4.420 nan 0.000 0.218 796 P C 0.989 177.983 177.300 -0.509 0.000 1.152 796 P CA 0.865 63.730 63.100 -0.393 0.000 0.826 796 P CB -0.118 31.233 31.700 -0.582 0.000 0.790 797 F N -0.386 119.547 119.950 -0.028 0.000 2.128 797 F HA -0.022 4.538 4.527 0.055 0.000 0.295 797 F C 1.287 177.057 175.800 -0.050 0.000 1.100 797 F CA 1.261 59.231 58.000 -0.049 0.000 1.260 797 F CB -1.620 37.336 39.000 -0.073 0.000 1.009 797 F HN -0.126 nan 8.300 nan 0.000 0.476 798 T N -2.149 112.464 114.554 0.098 0.000 3.401 798 T HA 0.283 4.668 4.350 0.058 0.000 0.341 798 T C -2.004 172.700 174.700 0.007 0.000 1.674 798 T CA -1.923 60.194 62.100 0.027 0.000 1.600 798 T CB 0.960 69.849 68.868 0.035 0.000 0.974 798 T HN -0.105 nan 8.240 nan 0.000 0.672 799 P HA -0.088 nan 4.420 nan 0.000 0.226 799 P C 0.772 178.203 177.300 0.218 0.000 1.153 799 P CA 0.991 64.106 63.100 0.026 0.000 0.777 799 P CB 0.130 31.777 31.700 -0.088 0.000 0.794 800 H N 0.724 119.930 119.070 0.227 0.000 2.268 800 H HA 0.094 4.686 4.556 0.060 0.000 0.313 800 H C 2.224 177.512 175.328 -0.066 0.000 1.056 800 H CA 0.816 56.908 56.048 0.074 0.000 1.369 800 H CB -0.613 29.247 29.762 0.164 0.000 1.422 800 H HN -0.009 nan 8.280 nan 0.000 0.520 801 I N -0.305 120.306 120.570 0.068 0.000 2.908 801 I HA -0.237 3.968 4.170 0.058 0.000 0.271 801 I C 1.252 177.436 176.117 0.112 0.000 1.275 801 I CA 0.941 62.242 61.300 0.003 0.000 1.446 801 I CB -0.674 37.130 38.000 -0.328 0.000 1.092 801 I HN 0.271 nan 8.210 nan 0.000 0.482 802 C N 0.712 120.053 119.300 0.070 0.000 2.518 802 C HA 0.080 4.575 4.460 0.058 0.000 0.283 802 C C 2.645 177.661 174.990 0.043 0.000 1.351 802 C CA 0.068 59.139 59.018 0.089 0.000 1.745 802 C CB -0.485 27.314 27.740 0.097 0.000 2.107 802 C HN 0.499 nan 8.230 nan 0.000 0.502 803 E N 1.139 121.234 120.200 -0.176 0.000 2.204 803 E HA -0.170 4.214 4.350 0.058 0.000 0.195 803 E C 1.891 178.250 176.600 -0.403 0.000 0.990 803 E CA 1.160 57.254 56.400 -0.512 0.000 0.821 803 E CB -0.113 28.746 29.700 -1.402 0.000 0.750 803 E HN 0.635 nan 8.360 nan 0.000 0.477 804 E N 0.607 120.745 120.200 -0.103 0.000 2.014 804 E HA -0.025 4.360 4.350 0.058 0.000 0.190 804 E C 2.193 178.933 176.600 0.234 0.000 0.980 804 E CA 0.645 57.236 56.400 0.319 0.000 0.807 804 E CB -0.289 29.683 29.700 0.454 0.000 0.770 804 E HN 0.124 nan 8.360 nan 0.000 0.451 805 L N 0.305 121.624 121.223 0.159 0.000 2.127 805 L HA -0.155 4.220 4.340 0.058 0.000 0.211 805 L C 2.427 179.378 176.870 0.135 0.000 1.089 805 L CA 1.108 55.972 54.840 0.039 0.000 0.757 805 L CB -0.592 41.406 42.059 -0.101 0.000 0.899 805 L HN 0.451 nan 8.230 nan 0.000 0.434 806 W N 1.585 122.883 121.300 -0.004 0.000 2.392 806 W HA -0.217 4.471 4.660 0.047 0.000 0.279 806 W C 2.137 178.681 176.519 0.042 0.000 1.225 806 W CA 1.623 58.980 57.345 0.020 0.000 1.233 806 W CB 0.199 29.673 29.460 0.023 0.000 1.122 806 W HN 0.317 nan 8.180 nan 0.000 0.561 807 E N 0.626 120.888 120.200 0.103 0.000 2.086 807 E HA -0.167 4.218 4.350 0.058 0.000 0.190 807 E C 2.184 178.767 176.600 -0.029 0.000 0.975 807 E CA 0.893 57.310 56.400 0.029 0.000 0.813 807 E CB -0.153 29.674 29.700 0.211 0.000 0.768 807 E HN 0.079 nan 8.360 nan 0.000 0.457 808 K N 0.063 120.469 120.400 0.011 0.000 2.103 808 K HA -0.120 4.235 4.320 0.058 0.000 0.207 808 K C 0.874 177.438 176.600 -0.060 0.000 1.048 808 K CA 0.631 56.906 56.287 -0.020 0.000 0.930 808 K CB -0.132 32.344 32.500 -0.040 0.000 0.716 808 K HN 0.133 nan 8.250 nan 0.000 0.444 809 L N -0.981 120.182 121.223 -0.100 0.000 2.490 809 L HA 0.089 4.463 4.340 0.058 0.000 0.245 809 L C 2.009 178.738 176.870 -0.236 0.000 1.185 809 L CA 0.084 54.844 54.840 -0.133 0.000 0.813 809 L CB 0.227 42.214 42.059 -0.121 0.000 1.233 809 L HN 0.122 nan 8.230 nan 0.000 0.489 810 G N 0.072 108.736 108.800 -0.227 0.000 2.606 810 G HA2 -0.041 3.954 3.960 0.058 0.000 0.221 810 G HA3 -0.041 3.954 3.960 0.058 0.000 0.221 810 G C 0.784 175.458 174.900 -0.378 0.000 1.152 810 G CA 0.769 45.725 45.100 -0.241 0.000 0.765 810 G HN 1.170 nan 8.290 nan 0.000 0.595 811 G N -1.054 107.289 108.800 -0.761 0.000 2.797 811 G HA2 0.107 4.101 3.960 0.058 0.000 0.686 811 G HA3 0.107 4.101 3.960 0.058 0.000 0.686 811 G C -0.486 174.097 174.900 -0.527 0.000 1.452 811 G CA 0.407 44.867 45.100 -1.066 0.000 0.986 811 G HN 1.112 nan 8.290 nan 0.000 0.595 812 E N 1.105 121.169 120.200 -0.226 0.000 2.397 812 E HA 0.528 4.913 4.350 0.058 0.000 0.293 812 E C 0.716 177.609 176.600 0.489 0.000 0.930 812 E CA 0.417 56.925 56.400 0.181 0.000 0.793 812 E CB 0.996 30.832 29.700 0.226 0.000 1.259 812 E HN 2.626 nan 8.360 nan 0.000 0.406 813 G N 2.711 111.680 108.800 0.281 0.000 2.649 813 G HA2 -0.319 3.675 3.960 0.058 0.000 0.281 813 G HA3 -0.319 3.675 3.960 0.058 0.000 0.281 813 G C -0.381 174.752 174.900 0.388 0.000 1.325 813 G CA 0.160 45.424 45.100 0.273 0.000 0.916 813 G HN 0.432 nan 8.290 nan 0.000 0.562 814 F N -0.535 119.599 119.950 0.307 0.000 2.418 814 F HA 0.332 4.890 4.527 0.052 0.000 0.341 814 F C 1.972 177.819 175.800 0.079 0.000 1.120 814 F CA -0.066 58.104 58.000 0.284 0.000 1.232 814 F CB 1.305 40.487 39.000 0.304 0.000 1.175 814 F HN 0.251 nan 8.300 nan 0.000 0.569 815 V N 0.192 120.160 119.914 0.090 0.000 2.343 815 V HA -0.259 3.896 4.120 0.058 0.000 0.247 815 V C 1.942 177.936 176.094 -0.168 0.000 1.051 815 V CA 2.032 64.019 62.300 -0.521 0.000 1.036 815 V CB -1.027 30.576 31.823 -0.367 0.000 0.654 815 V HN 0.859 nan 8.190 nan 0.000 0.451 816 S N 0.326 116.077 115.700 0.086 0.000 2.423 816 S HA -0.093 4.412 4.470 0.058 0.000 0.238 816 S C 1.609 176.263 174.600 0.090 0.000 1.028 816 S CA 1.430 59.683 58.200 0.088 0.000 1.000 816 S CB -0.296 63.000 63.200 0.160 0.000 0.797 816 S HN 0.489 nan 8.310 nan 0.000 0.487 817 L N 0.368 121.674 121.223 0.138 0.000 2.640 817 L HA 0.327 4.702 4.340 0.058 0.000 0.230 817 L C 0.876 177.792 176.870 0.076 0.000 1.123 817 L CA -0.175 54.747 54.840 0.136 0.000 0.900 817 L CB -0.753 41.437 42.059 0.219 0.000 1.146 817 L HN 0.162 nan 8.230 nan 0.000 0.484 818 A N 2.126 124.932 122.820 -0.024 0.000 2.477 818 A HA 0.213 4.567 4.320 0.058 0.000 0.246 818 A C 0.604 178.171 177.584 -0.028 0.000 1.078 818 A CA -0.324 51.657 52.037 -0.093 0.000 0.770 818 A CB 0.208 18.930 19.000 -0.463 0.000 1.011 818 A HN 0.225 nan 8.150 nan 0.000 0.494 819 K N 1.862 122.277 120.400 0.024 0.000 2.440 819 K HA -0.064 4.291 4.320 0.058 0.000 0.270 819 K C -0.757 175.884 176.600 0.067 0.000 0.980 819 K CA -0.004 56.319 56.287 0.061 0.000 0.953 819 K CB 0.130 32.671 32.500 0.068 0.000 0.925 819 K HN 0.607 nan 8.250 nan 0.000 0.497 820 W N 3.818 125.068 121.300 -0.082 0.000 2.316 820 W HA 0.236 4.930 4.660 0.056 0.000 0.311 820 W C -1.789 174.714 176.519 -0.026 0.000 1.217 820 W CA -1.815 55.488 57.345 -0.070 0.000 1.199 820 W CB 0.603 29.983 29.460 -0.133 0.000 1.202 820 W HN 0.520 nan 8.180 nan 0.000 0.528 821 P HA 0.017 nan 4.420 nan 0.000 0.270 821 P C -0.650 176.486 177.300 -0.272 0.000 1.242 821 P CA 0.542 63.428 63.100 -0.357 0.000 0.768 821 P CB 1.070 32.499 31.700 -0.451 0.000 0.820 822 E N 4.143 124.295 120.200 -0.080 0.000 2.221 822 E HA 0.427 4.812 4.350 0.058 0.000 0.268 822 E C -2.222 174.324 176.600 -0.089 0.000 0.933 822 E CA -2.364 54.032 56.400 -0.006 0.000 0.809 822 E CB 0.370 30.115 29.700 0.076 0.000 1.190 822 E HN 0.322 nan 8.360 nan 0.000 0.406 823 P HA -0.114 nan 4.420 nan 0.000 0.267 823 P C -0.556 176.665 177.300 -0.133 0.000 1.175 823 P CA 0.361 63.389 63.100 -0.119 0.000 0.763 823 P CB 0.432 32.149 31.700 0.028 0.000 0.795 824 V N 2.682 122.468 119.914 -0.214 0.000 2.612 824 V HA 0.109 4.263 4.120 0.058 0.000 0.301 824 V C 0.649 176.789 176.094 0.078 0.000 1.046 824 V CA -0.701 61.565 62.300 -0.057 0.000 0.946 824 V CB 1.369 33.191 31.823 -0.002 0.000 1.003 824 V HN 0.655 nan 8.190 nan 0.000 0.459 825 E N 5.284 125.546 120.200 0.103 0.000 3.298 825 E HA -0.189 4.195 4.350 0.058 0.000 0.224 825 E C 0.432 177.126 176.600 0.158 0.000 1.033 825 E CA 0.550 57.000 56.400 0.084 0.000 0.929 825 E CB -0.188 29.572 29.700 0.100 0.000 0.920 825 E HN 0.722 nan 8.360 nan 0.000 0.564 826 E N 3.651 123.889 120.200 0.062 0.000 3.213 826 E HA -0.334 4.051 4.350 0.058 0.000 0.374 826 E C 0.948 177.830 176.600 0.469 0.000 1.500 826 E CA 1.458 57.968 56.400 0.184 0.000 1.497 826 E CB -1.742 28.053 29.700 0.159 0.000 1.692 826 E HN 0.936 nan 8.360 nan 0.000 0.494 827 W N -0.554 120.865 121.300 0.198 0.000 2.612 827 W HA -0.228 4.466 4.660 0.056 0.000 0.266 827 W C -0.466 176.241 176.519 0.314 0.000 1.034 827 W CA 1.339 58.809 57.345 0.209 0.000 0.531 827 W CB -1.638 27.930 29.460 0.181 0.000 2.052 827 W HN 0.396 nan 8.180 nan 0.000 1.427 828 W N 2.703 124.203 121.300 0.333 0.000 2.316 828 W HA 0.474 5.168 4.660 0.057 0.000 0.321 828 W C 0.903 177.533 176.519 0.186 0.000 1.203 828 W CA 0.214 57.758 57.345 0.332 0.000 1.214 828 W CB 0.386 29.950 29.460 0.175 0.000 1.169 828 W HN -0.156 nan 8.180 nan 0.000 0.561 829 N N 2.659 121.398 118.700 0.066 0.000 2.824 829 N HA -0.066 4.708 4.740 0.058 0.000 0.224 829 N C 0.726 175.928 175.510 -0.514 0.000 1.418 829 N CA 0.054 53.012 53.050 -0.153 0.000 0.743 829 N CB 0.816 39.266 38.487 -0.062 0.000 1.395 829 N HN 0.728 nan 8.380 nan 0.000 0.548 830 E N -0.768 119.253 120.200 -0.299 0.000 2.171 830 E HA -0.182 4.203 4.350 0.058 0.000 0.197 830 E C 0.842 177.350 176.600 -0.153 0.000 0.997 830 E CA 1.709 57.950 56.400 -0.265 0.000 0.810 830 E CB -0.093 29.563 29.700 -0.073 0.000 0.738 830 E HN 0.212 nan 8.360 nan 0.000 0.467 831 T N 1.949 116.461 114.554 -0.069 0.000 2.643 831 T HA -0.099 4.286 4.350 0.058 0.000 0.264 831 T C 2.041 176.770 174.700 0.048 0.000 1.045 831 T CA 1.582 63.691 62.100 0.015 0.000 1.155 831 T CB -0.324 68.567 68.868 0.039 0.000 0.863 831 T HN 0.185 nan 8.240 nan 0.000 0.420 832 I N 1.287 121.881 120.570 0.040 0.000 2.493 832 I HA -0.118 4.087 4.170 0.058 0.000 0.254 832 I C 2.727 178.983 176.117 0.231 0.000 1.160 832 I CA 1.246 62.631 61.300 0.141 0.000 1.445 832 I CB -0.498 37.607 38.000 0.175 0.000 1.086 832 I HN 0.348 nan 8.210 nan 0.000 0.433 833 E N 1.859 122.085 120.200 0.044 0.000 2.077 833 E HA -0.227 4.158 4.350 0.058 0.000 0.193 833 E C 2.281 178.990 176.600 0.182 0.000 0.989 833 E CA 1.451 57.885 56.400 0.057 0.000 0.800 833 E CB -0.011 29.553 29.700 -0.226 0.000 0.746 833 E HN 0.462 nan 8.360 nan 0.000 0.452 834 A N 1.229 124.124 122.820 0.126 0.000 1.873 834 A HA -0.206 4.149 4.320 0.058 0.000 0.215 834 A C 1.970 179.701 177.584 0.244 0.000 1.186 834 A CA 1.607 53.752 52.037 0.180 0.000 0.616 834 A CB -0.566 18.530 19.000 0.159 0.000 0.823 834 A HN 0.401 nan 8.150 nan 0.000 0.442 835 E N -0.442 119.900 120.200 0.238 0.000 2.077 835 E HA -0.251 4.134 4.350 0.058 0.000 0.193 835 E C 1.947 178.713 176.600 0.275 0.000 0.989 835 E CA 1.335 57.904 56.400 0.281 0.000 0.800 835 E CB -0.212 29.614 29.700 0.210 0.000 0.746 835 E HN 0.657 nan 8.360 nan 0.000 0.452 836 E N 1.568 121.937 120.200 0.282 0.000 2.077 836 E HA -0.202 4.182 4.350 0.058 0.000 0.193 836 E C 1.852 178.558 176.600 0.177 0.000 0.989 836 E CA 1.693 58.247 56.400 0.256 0.000 0.800 836 E CB -0.007 29.939 29.700 0.409 0.000 0.746 836 E HN 0.445 nan 8.360 nan 0.000 0.452 837 E N -0.452 119.866 120.200 0.197 0.000 2.152 837 E HA -0.169 4.215 4.350 0.058 0.000 0.192 837 E C 1.959 178.643 176.600 0.139 0.000 0.983 837 E CA 0.687 57.153 56.400 0.110 0.000 0.818 837 E CB -0.540 29.234 29.700 0.123 0.000 0.758 837 E HN 0.293 nan 8.360 nan 0.000 0.467 838 F N 4.347 124.333 119.950 0.060 0.000 2.026 838 F HA -0.192 4.370 4.527 0.058 0.000 0.296 838 F C 2.232 178.037 175.800 0.008 0.000 1.133 838 F CA 1.581 59.604 58.000 0.039 0.000 1.188 838 F CB -0.742 38.285 39.000 0.045 0.000 0.968 838 F HN 0.004 nan 8.300 nan 0.000 0.476 839 I N -0.410 119.841 120.570 -0.531 0.000 2.248 839 I HA -0.321 3.884 4.170 0.058 0.000 0.248 839 I C 2.386 178.325 176.117 -0.297 0.000 1.107 839 I CA 1.692 62.656 61.300 -0.561 0.000 1.373 839 I CB -1.051 36.761 38.000 -0.314 0.000 1.055 839 I HN 0.190 nan 8.210 nan 0.000 0.418 840 R N 1.905 122.320 120.500 -0.140 0.000 2.083 840 R HA -0.155 4.219 4.340 0.058 0.000 0.237 840 R C 2.816 179.058 176.300 -0.096 0.000 1.137 840 R CA 2.258 58.301 56.100 -0.095 0.000 0.951 840 R CB -0.733 29.500 30.300 -0.111 0.000 0.851 840 R HN 0.694 nan 8.270 nan 0.000 0.434 841 S N 0.655 116.317 115.700 -0.063 0.000 2.368 841 S HA -0.103 4.402 4.470 0.058 0.000 0.225 841 S C 2.246 176.809 174.600 -0.062 0.000 1.030 841 S CA 1.382 59.569 58.200 -0.022 0.000 0.999 841 S CB -0.680 62.564 63.200 0.074 0.000 0.844 841 S HN 0.076 nan 8.310 nan 0.000 0.459 842 V N 2.762 122.584 119.914 -0.152 0.000 2.233 842 V HA -0.243 3.911 4.120 0.058 0.000 0.247 842 V C 2.786 178.792 176.094 -0.146 0.000 1.050 842 V CA 2.404 64.580 62.300 -0.207 0.000 1.010 842 V CB -0.941 30.638 31.823 -0.407 0.000 0.637 842 V HN 0.497 nan 8.190 nan 0.000 0.444 843 M N -0.504 119.007 119.600 -0.148 0.000 2.113 843 M HA -0.295 4.219 4.480 0.058 0.000 0.255 843 M C 2.273 178.533 176.300 -0.066 0.000 1.073 843 M CA 2.202 57.439 55.300 -0.105 0.000 1.091 843 M CB -0.869 31.657 32.600 -0.124 0.000 1.309 843 M HN 0.471 nan 8.290 nan 0.000 0.407 844 E N 0.215 120.379 120.200 -0.060 0.000 2.097 844 E HA -0.220 4.165 4.350 0.058 0.000 0.196 844 E C 1.652 178.231 176.600 -0.034 0.000 1.000 844 E CA 1.397 57.775 56.400 -0.037 0.000 0.804 844 E CB -0.292 29.389 29.700 -0.032 0.000 0.740 844 E HN 0.543 nan 8.360 nan 0.000 0.454 845 D N 0.933 121.308 120.400 -0.042 0.000 2.088 845 D HA -0.149 4.526 4.640 0.058 0.000 0.191 845 D C 2.181 178.459 176.300 -0.036 0.000 0.992 845 D CA 0.982 54.960 54.000 -0.037 0.000 0.831 845 D CB -0.377 40.395 40.800 -0.046 0.000 0.973 845 D HN 0.171 nan 8.370 nan 0.000 0.447 846 I N 0.994 121.538 120.570 -0.043 0.000 2.145 846 I HA -0.308 3.897 4.170 0.058 0.000 0.244 846 I C 2.544 178.645 176.117 -0.028 0.000 1.075 846 I CA 1.234 62.516 61.300 -0.030 0.000 1.332 846 I CB -0.374 37.617 38.000 -0.015 0.000 1.033 846 I HN -0.003 nan 8.210 nan 0.000 0.410 847 K N 0.879 121.264 120.400 -0.025 0.000 2.074 847 K HA -0.276 4.079 4.320 0.058 0.000 0.209 847 K C 2.137 178.726 176.600 -0.018 0.000 1.048 847 K CA 2.013 58.290 56.287 -0.018 0.000 0.926 847 K CB -0.072 32.420 32.500 -0.013 0.000 0.713 847 K HN 0.344 nan 8.250 nan 0.000 0.444 848 E N 0.425 120.614 120.200 -0.019 0.000 2.072 848 E HA -0.142 4.242 4.350 0.058 0.000 0.190 848 E C 1.987 178.575 176.600 -0.020 0.000 0.982 848 E CA 0.919 57.309 56.400 -0.017 0.000 0.803 848 E CB -0.027 29.663 29.700 -0.015 0.000 0.755 848 E HN 0.298 nan 8.360 nan 0.000 0.453 849 I N 1.221 121.776 120.570 -0.025 0.000 2.248 849 I HA -0.319 3.885 4.170 0.058 0.000 0.248 849 I C 2.234 178.327 176.117 -0.040 0.000 1.107 849 I CA 1.115 62.395 61.300 -0.033 0.000 1.373 849 I CB -0.220 37.754 38.000 -0.042 0.000 1.055 849 I HN 0.271 nan 8.210 nan 0.000 0.418 850 I N -0.005 120.541 120.570 -0.039 0.000 2.333 850 I HA -0.183 4.021 4.170 0.058 0.000 0.246 850 I C 2.229 178.331 176.117 -0.026 0.000 1.106 850 I CA 1.128 62.405 61.300 -0.039 0.000 1.411 850 I CB -0.628 37.351 38.000 -0.035 0.000 1.082 850 I HN 0.216 nan 8.210 nan 0.000 0.420 851 E N 0.890 121.079 120.200 -0.019 0.000 2.267 851 E HA -0.145 4.240 4.350 0.058 0.000 0.197 851 E C 1.888 178.481 176.600 -0.012 0.000 0.998 851 E CA 1.115 57.508 56.400 -0.013 0.000 0.830 851 E CB 0.077 29.772 29.700 -0.009 0.000 0.751 851 E HN 0.407 nan 8.360 nan 0.000 0.491 852 V N -1.243 118.662 119.914 -0.015 0.000 3.647 852 V HA 0.242 4.396 4.120 0.058 0.000 0.279 852 V C 0.818 176.905 176.094 -0.013 0.000 1.314 852 V CA 0.709 63.002 62.300 -0.012 0.000 1.125 852 V CB 0.220 32.037 31.823 -0.010 0.000 0.907 852 V HN 0.251 nan 8.190 nan 0.000 0.434 853 A N -0.618 122.191 122.820 -0.019 0.000 1.599 853 A HA 0.478 4.832 4.320 0.058 0.000 0.160 853 A C 0.462 178.033 177.584 -0.022 0.000 1.520 853 A CA -0.121 51.904 52.037 -0.019 0.000 2.369 853 A CB -0.103 18.882 19.000 -0.024 0.000 2.516 853 A HN 0.137 nan 8.150 nan 0.000 1.219 854 K N -0.416 119.963 120.400 -0.035 0.000 2.296 854 K HA 0.210 4.565 4.320 0.058 0.000 0.259 854 K C -0.798 175.786 176.600 -0.027 0.000 1.000 854 K CA 1.100 57.365 56.287 -0.037 0.000 0.844 854 K CB -0.058 32.405 32.500 -0.062 0.000 1.008 854 K HN 0.690 nan 8.250 nan 0.000 0.532 855 I N 1.206 121.761 120.570 -0.025 0.000 2.571 855 I HA 0.208 4.413 4.170 0.058 0.000 0.286 855 I C -0.684 175.423 176.117 -0.016 0.000 1.134 855 I CA 0.199 61.489 61.300 -0.017 0.000 1.052 855 I CB 1.034 39.028 38.000 -0.010 0.000 1.237 855 I HN 0.819 nan 8.210 nan 0.000 0.435 856 E N 4.219 124.410 120.200 -0.015 0.000 2.967 856 E HA -0.287 4.098 4.350 0.058 0.000 0.371 856 E C -0.020 176.569 176.600 -0.018 0.000 1.444 856 E CA 1.157 57.550 56.400 -0.013 0.000 1.223 856 E CB -0.976 28.719 29.700 -0.008 0.000 1.674 856 E HN 0.976 nan 8.360 nan 0.000 0.528 857 N N 0.701 119.392 118.700 -0.015 0.000 3.541 857 N HA -0.226 4.549 4.740 0.058 0.000 0.292 857 N C 0.481 175.983 175.510 -0.013 0.000 1.964 857 N CA 1.031 54.071 53.050 -0.017 0.000 2.344 857 N CB -0.251 38.215 38.487 -0.035 0.000 0.672 857 N HN 0.623 nan 8.380 nan 0.000 0.620 858 A N 3.400 126.218 122.820 -0.005 0.000 2.178 858 A HA -0.102 4.253 4.320 0.058 0.000 0.218 858 A C 0.885 178.469 177.584 -0.001 0.000 1.157 858 A CA 1.998 54.034 52.037 -0.001 0.000 0.689 858 A CB -0.010 18.991 19.000 0.002 0.000 0.787 858 A HN 0.768 nan 8.150 nan 0.000 0.465 859 K N -2.429 117.970 120.400 -0.002 0.000 2.614 859 K HA 0.649 5.004 4.320 0.058 0.000 0.293 859 K C -1.225 175.373 176.600 -0.003 0.000 1.045 859 K CA -1.234 55.055 56.287 0.003 0.000 0.880 859 K CB 0.890 33.398 32.500 0.014 0.000 1.552 859 K HN 0.182 nan 8.250 nan 0.000 0.404 860 R N -0.547 119.963 120.500 0.017 0.000 2.781 860 R HA 0.838 5.213 4.340 0.058 0.000 0.269 860 R C -1.741 174.615 176.300 0.094 0.000 1.025 860 R CA -0.853 55.264 56.100 0.029 0.000 0.914 860 R CB 1.498 31.805 30.300 0.012 0.000 1.236 860 R HN 0.806 nan 8.270 nan 0.000 0.465 861 A N 0.609 123.535 122.820 0.178 0.000 2.414 861 A HA 0.785 5.140 4.320 0.058 0.000 0.306 861 A C -1.733 176.012 177.584 0.269 0.000 1.054 861 A CA -0.792 51.348 52.037 0.172 0.000 0.724 861 A CB 1.182 20.292 19.000 0.183 0.000 1.267 861 A HN 0.931 nan 8.150 nan 0.000 0.418 862 Y N 0.621 120.978 120.300 0.095 0.000 2.519 862 Y HA 0.763 5.347 4.550 0.057 0.000 0.336 862 Y C -1.604 174.355 175.900 0.098 0.000 1.089 862 Y CA -1.147 57.015 58.100 0.103 0.000 1.025 862 Y CB 1.224 39.742 38.460 0.098 0.000 1.318 862 Y HN 0.792 nan 8.280 nan 0.000 0.452 863 I N 4.987 125.858 120.570 0.500 0.000 2.646 863 I HA 0.418 4.622 4.170 0.058 0.000 0.299 863 I C -1.100 175.285 176.117 0.447 0.000 1.036 863 I CA -1.018 60.495 61.300 0.355 0.000 1.074 863 I CB 2.079 40.163 38.000 0.141 0.000 1.258 863 I HN 0.988 nan 8.210 nan 0.000 0.430 864 Y N 4.628 125.076 120.300 0.246 0.000 2.875 864 Y HA 0.353 4.938 4.550 0.058 0.000 0.466 864 Y C 0.760 176.716 175.900 0.092 0.000 1.393 864 Y CA 0.678 58.900 58.100 0.204 0.000 1.909 864 Y CB 0.744 39.318 38.460 0.189 0.000 1.710 864 Y HN 0.624 nan 8.280 nan 0.000 0.706 865 T N -0.616 113.593 114.554 -0.574 0.000 2.716 865 T HA 0.822 5.207 4.350 0.058 0.000 0.286 865 T C -1.337 173.219 174.700 -0.240 0.000 1.052 865 T CA -0.435 61.415 62.100 -0.418 0.000 1.024 865 T CB 1.315 69.896 68.868 -0.477 0.000 1.349 865 T HN 0.866 nan 8.240 nan 0.000 0.525 866 A N 0.189 122.935 122.820 -0.124 0.000 2.556 866 A HA 0.743 5.098 4.320 0.058 0.000 0.294 866 A C 0.481 178.172 177.584 0.180 0.000 1.091 866 A CA -0.671 51.355 52.037 -0.019 0.000 0.704 866 A CB 1.267 20.231 19.000 -0.061 0.000 1.300 866 A HN 0.839 nan 8.150 nan 0.000 0.406 867 E N 1.064 121.374 120.200 0.183 0.000 1.986 867 E HA -0.229 4.156 4.350 0.058 0.000 0.229 867 E C 0.902 177.659 176.600 0.261 0.000 0.997 867 E CA 2.378 58.923 56.400 0.242 0.000 0.894 867 E CB -0.505 29.297 29.700 0.169 0.000 0.813 867 E HN 0.757 nan 8.360 nan 0.000 0.549 868 D N -0.309 120.220 120.400 0.215 0.000 2.327 868 D HA -0.209 4.466 4.640 0.058 0.000 0.205 868 D C 1.855 178.185 176.300 0.051 0.000 1.036 868 D CA 1.745 55.791 54.000 0.076 0.000 0.897 868 D CB -0.899 39.846 40.800 -0.092 0.000 1.117 868 D HN 0.288 nan 8.370 nan 0.000 0.471 869 W N 1.319 122.557 121.300 -0.104 0.000 2.231 869 W HA -0.240 4.454 4.660 0.058 0.000 0.315 869 W C 1.775 178.129 176.519 -0.275 0.000 1.283 869 W CA 1.233 58.341 57.345 -0.395 0.000 1.303 869 W CB -0.518 28.804 29.460 -0.230 0.000 1.124 869 W HN 0.062 nan 8.180 nan 0.000 0.516 870 K N -3.789 116.703 120.400 0.154 0.000 3.248 870 K HA 0.053 4.408 4.320 0.058 0.000 0.312 870 K C 1.135 177.818 176.600 0.138 0.000 1.021 870 K CA -0.075 56.267 56.287 0.091 0.000 1.263 870 K CB -1.214 31.341 32.500 0.090 0.000 3.424 870 K HN -0.111 nan 8.250 nan 0.000 1.112 871 W N 2.493 123.769 121.300 -0.039 0.000 2.000 871 W HA -0.342 4.353 4.660 0.057 0.000 0.349 871 W C 2.235 178.755 176.519 0.002 0.000 1.569 871 W CA 3.086 60.418 57.345 -0.021 0.000 1.767 871 W CB -0.800 28.657 29.460 -0.005 0.000 0.991 871 W HN 0.468 nan 8.180 nan 0.000 0.478 872 K N 0.292 120.833 120.400 0.233 0.000 2.211 872 K HA -0.144 4.210 4.320 0.058 0.000 0.204 872 K C 1.617 178.253 176.600 0.060 0.000 1.047 872 K CA 1.917 58.288 56.287 0.139 0.000 0.935 872 K CB -0.760 31.806 32.500 0.111 0.000 0.728 872 K HN 0.142 nan 8.250 nan 0.000 0.452 873 V N 0.663 120.595 119.914 0.030 0.000 2.223 873 V HA -0.240 3.915 4.120 0.058 0.000 0.244 873 V C 2.344 178.414 176.094 -0.040 0.000 1.045 873 V CA 2.077 64.370 62.300 -0.011 0.000 1.000 873 V CB -1.097 30.709 31.823 -0.027 0.000 0.635 873 V HN 0.468 nan 8.190 nan 0.000 0.445 874 A N 0.822 123.588 122.820 -0.091 0.000 1.948 874 A HA -0.256 4.098 4.320 0.058 0.000 0.220 874 A C 2.062 179.578 177.584 -0.115 0.000 1.177 874 A CA 1.949 53.895 52.037 -0.151 0.000 0.636 874 A CB -0.591 18.226 19.000 -0.306 0.000 0.815 874 A HN 0.805 nan 8.150 nan 0.000 0.449 875 E N -0.363 119.796 120.200 -0.068 0.000 2.511 875 E HA 0.066 4.451 4.350 0.058 0.000 0.196 875 E C 0.957 177.562 176.600 0.008 0.000 1.066 875 E CA 0.927 57.322 56.400 -0.008 0.000 0.871 875 E CB -0.075 29.670 29.700 0.075 0.000 0.863 875 E HN 0.413 nan 8.360 nan 0.000 0.520 876 V N 0.050 119.959 119.914 -0.008 0.000 2.996 876 V HA -0.085 4.070 4.120 0.058 0.000 0.235 876 V C 2.184 178.267 176.094 -0.018 0.000 1.205 876 V CA 0.274 62.571 62.300 -0.006 0.000 1.225 876 V CB 0.531 32.352 31.823 -0.003 0.000 0.995 876 V HN 0.085 nan 8.190 nan 0.000 0.484 877 V N 1.661 121.558 119.914 -0.029 0.000 2.324 877 V HA -0.220 3.934 4.120 0.058 0.000 0.250 877 V C 2.291 178.371 176.094 -0.023 0.000 1.060 877 V CA 2.370 64.652 62.300 -0.030 0.000 1.042 877 V CB -0.832 30.968 31.823 -0.040 0.000 0.650 877 V HN 0.714 nan 8.190 nan 0.000 0.450 878 S N -0.699 114.985 115.700 -0.027 0.000 2.954 878 S HA 0.014 4.519 4.470 0.058 0.000 0.234 878 S C 0.869 175.469 174.600 0.001 0.000 0.978 878 S CA 0.538 58.729 58.200 -0.014 0.000 1.045 878 S CB -0.194 62.996 63.200 -0.017 0.000 0.807 878 S HN 0.610 nan 8.310 nan 0.000 0.508 879 E N -0.179 120.019 120.200 -0.003 0.000 2.904 879 E HA 0.216 4.600 4.350 0.058 0.000 0.162 879 E C 0.035 176.630 176.600 -0.008 0.000 0.909 879 E CA 0.011 56.410 56.400 -0.000 0.000 1.368 879 E CB 0.386 30.088 29.700 0.003 0.000 1.007 879 E HN 0.348 nan 8.360 nan 0.000 0.451 880 K N -0.069 120.324 120.400 -0.011 0.000 2.645 880 K HA 0.184 4.539 4.320 0.058 0.000 0.203 880 K C 0.353 176.952 176.600 -0.002 0.000 1.653 880 K CA -0.234 56.039 56.287 -0.023 0.000 1.138 880 K CB 0.688 33.158 32.500 -0.050 0.000 1.515 880 K HN -0.037 nan 8.250 nan 0.000 0.592 881 R N 2.962 123.467 120.500 0.009 0.000 3.314 881 R HA -0.214 4.161 4.340 0.058 0.000 0.243 881 R C 0.203 176.546 176.300 0.073 0.000 0.954 881 R CA 1.641 57.758 56.100 0.030 0.000 0.645 881 R CB -1.815 28.501 30.300 0.026 0.000 1.022 881 R HN 0.582 nan 8.270 nan 0.000 0.468 882 D N -0.470 119.984 120.400 0.090 0.000 3.028 882 D HA 0.084 4.759 4.640 0.058 0.000 0.205 882 D C 1.133 177.719 176.300 0.477 0.000 1.489 882 D CA 0.968 55.124 54.000 0.259 0.000 1.452 882 D CB -0.133 40.718 40.800 0.085 0.000 1.052 882 D HN 0.270 nan 8.370 nan 0.000 0.221 883 F N -1.977 117.965 119.950 -0.013 0.000 2.306 883 F HA 0.354 4.916 4.527 0.058 0.000 0.450 883 F C 1.097 176.891 175.800 -0.011 0.000 0.862 883 F CA 0.020 58.012 58.000 -0.013 0.000 0.730 883 F CB -0.250 38.743 39.000 -0.012 0.000 1.264 883 F HN 0.262 nan 8.300 nan 0.000 0.538 884 K N 1.657 121.629 120.400 -0.713 0.000 2.431 884 K HA 0.275 4.629 4.320 0.058 0.000 0.213 884 K C 2.025 178.417 176.600 -0.347 0.000 1.258 884 K CA 1.866 57.864 56.287 -0.482 0.000 0.845 884 K CB -0.389 31.752 32.500 -0.598 0.000 1.498 884 K HN 0.147 nan 8.250 nan 0.000 0.451 885 S N 0.518 115.968 115.700 -0.417 0.000 2.432 885 S HA -0.282 4.223 4.470 0.058 0.000 0.243 885 S C 1.913 176.424 174.600 -0.148 0.000 1.069 885 S CA 2.125 60.186 58.200 -0.232 0.000 1.047 885 S CB -1.149 61.929 63.200 -0.202 0.000 0.854 885 S HN 0.446 nan 8.310 nan 0.000 0.474 886 S N 1.719 117.333 115.700 -0.144 0.000 2.348 886 S HA 0.088 4.592 4.470 0.058 0.000 0.219 886 S C 1.821 176.380 174.600 -0.069 0.000 1.033 886 S CA 0.949 59.099 58.200 -0.084 0.000 0.974 886 S CB -0.713 62.449 63.200 -0.064 0.000 0.868 886 S HN 0.399 nan 8.310 nan 0.000 0.459 887 M N 2.257 121.811 119.600 -0.077 0.000 2.346 887 M HA -0.020 4.495 4.480 0.058 0.000 0.263 887 M C 1.770 178.039 176.300 -0.052 0.000 1.064 887 M CA 1.410 56.679 55.300 -0.052 0.000 1.083 887 M CB -0.583 31.991 32.600 -0.044 0.000 1.399 887 M HN 0.415 nan 8.290 nan 0.000 0.435 888 E N -0.986 119.171 120.200 -0.073 0.000 2.060 888 E HA -0.183 4.201 4.350 0.058 0.000 0.189 888 E C 1.823 178.395 176.600 -0.047 0.000 0.974 888 E CA 1.042 57.405 56.400 -0.061 0.000 0.808 888 E CB -0.202 29.452 29.700 -0.077 0.000 0.768 888 E HN 0.436 nan 8.360 nan 0.000 0.453 889 E N 1.111 121.281 120.200 -0.050 0.000 2.267 889 E HA -0.145 4.240 4.350 0.058 0.000 0.197 889 E C 1.650 178.235 176.600 -0.026 0.000 0.998 889 E CA 0.937 57.316 56.400 -0.036 0.000 0.830 889 E CB -0.035 29.643 29.700 -0.036 0.000 0.751 889 E HN 0.211 nan 8.360 nan 0.000 0.491 890 L N -0.927 120.280 121.223 -0.026 0.000 2.187 890 L HA 0.006 4.380 4.340 0.058 0.000 0.197 890 L C 2.192 179.053 176.870 -0.015 0.000 1.090 890 L CA 0.500 55.330 54.840 -0.017 0.000 0.781 890 L CB -0.401 41.649 42.059 -0.014 0.000 0.956 890 L HN 0.152 nan 8.230 nan 0.000 0.463 891 M N 0.323 119.913 119.600 -0.016 0.000 2.419 891 M HA -0.253 4.262 4.480 0.058 0.000 0.260 891 M C 1.678 177.967 176.300 -0.018 0.000 1.073 891 M CA 1.376 56.667 55.300 -0.015 0.000 1.056 891 M CB -1.138 31.453 32.600 -0.014 0.000 1.394 891 M HN 0.167 nan 8.290 nan 0.000 0.444 892 K N 0.784 121.172 120.400 -0.019 0.000 2.589 892 K HA -0.036 4.318 4.320 0.058 0.000 0.204 892 K C -0.410 176.179 176.600 -0.018 0.000 1.029 892 K CA 0.160 56.435 56.287 -0.019 0.000 1.177 892 K CB 0.116 32.604 32.500 -0.020 0.000 0.902 892 K HN 0.080 nan 8.250 nan 0.000 0.501 893 D N -0.026 120.362 120.400 -0.019 0.000 2.936 893 D HA 0.137 4.811 4.640 0.058 0.000 0.238 893 D C -0.903 175.378 176.300 -0.030 0.000 1.248 893 D CA -0.301 53.686 54.000 -0.021 0.000 0.903 893 D CB 2.055 42.846 40.800 -0.014 0.000 1.544 893 D HN -0.038 nan 8.370 nan 0.000 0.543 894 S N 1.920 117.597 115.700 -0.038 0.000 2.596 894 S HA 0.081 4.585 4.470 0.058 0.000 0.260 894 S C 0.842 175.397 174.600 -0.075 0.000 1.336 894 S CA -0.309 57.857 58.200 -0.057 0.000 0.993 894 S CB 0.766 63.934 63.200 -0.053 0.000 0.923 894 S HN 0.608 nan 8.310 nan 0.000 0.567 895 E N -1.239 118.890 120.200 -0.119 0.000 3.649 895 E HA -0.243 4.142 4.350 0.058 0.000 0.305 895 E C 0.715 177.233 176.600 -0.137 0.000 0.760 895 E CA 1.584 57.875 56.400 -0.182 0.000 1.038 895 E CB -1.176 28.428 29.700 -0.160 0.000 1.531 895 E HN 0.687 nan 8.360 nan 0.000 0.459 896 I N -0.884 119.652 120.570 -0.056 0.000 3.812 896 I HA 0.042 4.246 4.170 0.058 0.000 0.292 896 I C 2.439 178.594 176.117 0.063 0.000 1.206 896 I CA 0.030 61.343 61.300 0.021 0.000 1.370 896 I CB -0.109 37.890 38.000 -0.003 0.000 1.328 896 I HN -0.099 nan 8.210 nan 0.000 0.453 897 R N 2.249 122.746 120.500 -0.004 0.000 2.235 897 R HA -0.138 4.237 4.340 0.058 0.000 0.213 897 R C 2.116 178.392 176.300 -0.040 0.000 1.059 897 R CA 0.942 57.037 56.100 -0.008 0.000 0.997 897 R CB -0.034 30.251 30.300 -0.026 0.000 0.884 897 R HN 0.157 nan 8.270 nan 0.000 0.462 898 K N -0.187 120.143 120.400 -0.117 0.000 2.304 898 K HA -0.237 4.118 4.320 0.058 0.000 0.204 898 K C 0.586 176.935 176.600 -0.417 0.000 1.044 898 K CA 2.073 58.181 56.287 -0.298 0.000 0.932 898 K CB -0.023 32.201 32.500 -0.461 0.000 0.735 898 K HN 0.455 nan 8.250 nan 0.000 0.468 899 H N -2.067 116.955 119.070 -0.080 0.000 2.615 899 H HA 0.237 4.827 4.556 0.058 0.000 0.275 899 H C 1.626 176.943 175.328 -0.018 0.000 0.981 899 H CA 0.420 56.448 56.048 -0.034 0.000 1.252 899 H CB 0.094 29.849 29.762 -0.011 0.000 1.447 899 H HN 0.346 nan 8.280 nan 0.000 0.498 900 G N 2.363 111.220 108.800 0.095 0.000 3.609 900 G HA2 -0.546 3.448 3.960 0.058 0.000 0.370 900 G HA3 -0.546 3.448 3.960 0.058 0.000 0.370 900 G C 1.684 176.613 174.900 0.050 0.000 1.603 900 G CA 1.437 46.566 45.100 0.048 0.000 1.576 900 G HN 0.423 nan 8.290 nan 0.000 0.800 901 K N 1.280 121.705 120.400 0.042 0.000 2.362 901 K HA -0.152 4.203 4.320 0.058 0.000 0.202 901 K C 2.158 178.786 176.600 0.048 0.000 1.045 901 K CA 2.207 58.517 56.287 0.038 0.000 0.936 901 K CB -0.121 32.398 32.500 0.031 0.000 0.747 901 K HN 0.505 nan 8.250 nan 0.000 0.467 902 E N -0.202 120.042 120.200 0.073 0.000 2.447 902 E HA 0.020 4.404 4.350 0.058 0.000 0.195 902 E C 0.402 177.028 176.600 0.042 0.000 1.028 902 E CA 0.090 56.532 56.400 0.070 0.000 0.876 902 E CB 0.405 30.175 29.700 0.117 0.000 0.885 902 E HN -0.027 nan 8.360 nan 0.000 0.500 903 V N 1.388 121.327 119.914 0.041 0.000 3.102 903 V HA 0.101 4.256 4.120 0.058 0.000 0.371 903 V C 1.199 177.300 176.094 0.011 0.000 1.414 903 V CA 0.846 63.156 62.300 0.017 0.000 1.565 903 V CB -0.740 31.095 31.823 0.020 0.000 1.273 903 V HN 0.269 nan 8.190 nan 0.000 0.478 904 A N 0.043 122.870 122.820 0.012 0.000 2.275 904 A HA 0.154 4.508 4.320 0.058 0.000 0.212 904 A C 2.062 179.646 177.584 -0.001 0.000 1.201 904 A CA -0.002 52.041 52.037 0.010 0.000 0.843 904 A CB -0.094 18.914 19.000 0.013 0.000 0.873 904 A HN 0.373 nan 8.150 nan 0.000 0.492 905 K N 0.423 120.818 120.400 -0.009 0.000 2.280 905 K HA 0.004 4.358 4.320 0.058 0.000 0.202 905 K C 1.428 178.009 176.600 -0.031 0.000 1.047 905 K CA 0.887 57.159 56.287 -0.026 0.000 0.942 905 K CB -0.389 32.089 32.500 -0.036 0.000 0.739 905 K HN 0.632 nan 8.250 nan 0.000 0.457 906 I N 0.351 120.910 120.570 -0.018 0.000 2.406 906 I HA -0.186 4.019 4.170 0.058 0.000 0.249 906 I C 2.050 178.166 176.117 -0.002 0.000 1.122 906 I CA 0.515 61.806 61.300 -0.014 0.000 1.431 906 I CB -0.437 37.560 38.000 -0.005 0.000 1.087 906 I HN -0.183 nan 8.210 nan 0.000 0.424 907 V N 1.047 120.965 119.914 0.007 0.000 2.220 907 V HA -0.372 3.782 4.120 0.058 0.000 0.242 907 V C 2.496 178.588 176.094 -0.003 0.000 1.041 907 V CA 2.332 64.640 62.300 0.013 0.000 0.990 907 V CB -1.188 30.642 31.823 0.012 0.000 0.634 907 V HN 0.488 nan 8.190 nan 0.000 0.452 908 Q N 0.479 120.271 119.800 -0.013 0.000 1.991 908 Q HA -0.399 3.976 4.340 0.058 0.000 0.213 908 Q C 2.295 178.273 176.000 -0.037 0.000 1.022 908 Q CA 2.898 58.686 55.803 -0.025 0.000 0.877 908 Q CB -0.396 28.325 28.738 -0.029 0.000 0.970 908 Q HN 0.470 nan 8.270 nan 0.000 0.414 909 K N 0.170 120.540 120.400 -0.050 0.000 2.189 909 K HA -0.185 4.169 4.320 0.058 0.000 0.207 909 K C 1.890 178.458 176.600 -0.055 0.000 1.046 909 K CA 1.416 57.661 56.287 -0.070 0.000 0.928 909 K CB -0.654 31.794 32.500 -0.086 0.000 0.720 909 K HN 0.408 nan 8.250 nan 0.000 0.458 910 L N 1.065 122.271 121.223 -0.029 0.000 2.072 910 L HA -0.002 4.372 4.340 0.058 0.000 0.205 910 L C 1.695 178.555 176.870 -0.017 0.000 1.079 910 L CA 1.587 56.421 54.840 -0.011 0.000 0.752 910 L CB -0.685 41.387 42.059 0.021 0.000 0.906 910 L HN 0.445 nan 8.230 nan 0.000 0.436 911 I N -2.455 118.102 120.570 -0.021 0.000 3.607 911 I HA -0.030 4.175 4.170 0.058 0.000 0.303 911 I C 0.142 176.237 176.117 -0.037 0.000 1.261 911 I CA 0.477 61.761 61.300 -0.026 0.000 1.215 911 I CB -0.506 37.480 38.000 -0.024 0.000 1.043 911 I HN 0.119 nan 8.210 nan 0.000 0.465 912 K N 0.850 121.222 120.400 -0.047 0.000 3.017 912 K HA 0.203 4.558 4.320 0.058 0.000 0.178 912 K C -0.776 175.779 176.600 -0.074 0.000 1.103 912 K CA -0.472 55.778 56.287 -0.062 0.000 1.084 912 K CB 0.446 32.901 32.500 -0.075 0.000 0.711 912 K HN 0.176 nan 8.250 nan 0.000 0.416 913 E N 1.030 121.197 120.200 -0.055 0.000 8.669 913 E HA -0.246 4.139 4.350 0.058 0.000 0.467 913 E C 0.224 176.783 176.600 -0.069 0.000 1.136 913 E CA 1.146 57.516 56.400 -0.051 0.000 1.973 913 E CB -0.121 29.550 29.700 -0.049 0.000 1.007 913 E HN 0.601 nan 8.360 nan 0.000 0.345 914 R N 0.043 120.516 120.500 -0.045 0.000 3.532 914 R HA 0.018 4.393 4.340 0.058 0.000 0.241 914 R C 0.984 177.235 176.300 -0.081 0.000 0.883 914 R CA 1.142 57.216 56.100 -0.044 0.000 1.154 914 R CB -0.328 29.972 30.300 0.000 0.000 0.967 914 R HN 0.659 nan 8.270 nan 0.000 0.456 915 T N -3.123 111.406 114.554 -0.042 0.000 2.797 915 T HA 0.574 4.959 4.350 0.058 0.000 0.267 915 T C -0.595 174.208 174.700 0.172 0.000 0.986 915 T CA -0.792 61.278 62.100 -0.051 0.000 0.999 915 T CB 0.491 69.305 68.868 -0.090 0.000 1.508 915 T HN 0.402 nan 8.240 nan 0.000 0.595 916 F N -1.143 118.768 119.950 -0.065 0.000 3.338 916 F HA 0.391 4.953 4.527 0.058 0.000 0.332 916 F C 0.001 175.813 175.800 0.021 0.000 1.290 916 F CA -1.306 56.687 58.000 -0.012 0.000 1.000 916 F CB 1.255 40.254 39.000 -0.001 0.000 1.576 916 F HN 0.507 nan 8.300 nan 0.000 0.514 917 D N -0.149 120.389 120.400 0.229 0.000 2.380 917 D HA 0.307 4.982 4.640 0.058 0.000 0.254 917 D C -1.056 175.432 176.300 0.312 0.000 1.288 917 D CA 0.309 54.417 54.000 0.181 0.000 1.008 917 D CB 1.038 41.899 40.800 0.102 0.000 1.099 917 D HN -0.045 nan 8.370 nan 0.000 0.537 918 V N 1.948 122.062 119.914 0.334 0.000 2.293 918 V HA 0.142 4.296 4.120 0.058 0.000 0.275 918 V C 0.068 176.303 176.094 0.234 0.000 1.021 918 V CA -0.650 61.955 62.300 0.508 0.000 0.815 918 V CB 0.946 33.005 31.823 0.394 0.000 1.025 918 V HN 0.460 nan 8.190 nan 0.000 0.448 919 K N 4.401 124.963 120.400 0.270 0.000 2.737 919 K HA 0.156 4.510 4.320 0.058 0.000 0.251 919 K C 1.029 177.567 176.600 -0.104 0.000 1.280 919 K CA -0.358 55.985 56.287 0.093 0.000 1.219 919 K CB 0.342 32.921 32.500 0.131 0.000 1.587 919 K HN 0.351 nan 8.250 nan 0.000 0.279 920 R N 1.961 122.370 120.500 -0.153 0.000 2.132 920 R HA -0.160 4.214 4.340 0.058 0.000 0.233 920 R C 2.018 178.223 176.300 -0.158 0.000 1.125 920 R CA 2.233 58.190 56.100 -0.239 0.000 0.914 920 R CB -0.707 29.515 30.300 -0.130 0.000 0.845 920 R HN 0.739 nan 8.270 nan 0.000 0.431 921 I N -0.240 120.286 120.570 -0.074 0.000 3.055 921 I HA -0.215 3.990 4.170 0.058 0.000 0.277 921 I C 1.606 177.693 176.117 -0.049 0.000 1.306 921 I CA 1.300 62.574 61.300 -0.044 0.000 1.426 921 I CB -1.162 36.833 38.000 -0.008 0.000 1.081 921 I HN 0.349 nan 8.210 nan 0.000 0.502 922 N N 3.015 121.655 118.700 -0.100 0.000 2.067 922 N HA -0.389 4.385 4.740 0.058 0.000 0.172 922 N C 2.006 177.467 175.510 -0.081 0.000 0.861 922 N CA 3.385 56.348 53.050 -0.145 0.000 0.874 922 N CB -0.253 37.931 38.487 -0.505 0.000 1.002 922 N HN 0.632 nan 8.380 nan 0.000 0.932 923 E N 0.292 120.410 120.200 -0.137 0.000 2.208 923 E HA -0.305 4.080 4.350 0.058 0.000 0.202 923 E C 1.767 178.367 176.600 -0.000 0.000 1.014 923 E CA 1.810 58.201 56.400 -0.015 0.000 0.819 923 E CB -0.746 28.983 29.700 0.048 0.000 0.735 923 E HN 0.661 nan 8.360 nan 0.000 0.469 924 E N 1.169 121.363 120.200 -0.010 0.000 2.106 924 E HA -0.157 4.227 4.350 0.058 0.000 0.192 924 E C 1.929 178.531 176.600 0.003 0.000 0.984 924 E CA 1.698 58.094 56.400 -0.005 0.000 0.806 924 E CB -0.127 29.570 29.700 -0.005 0.000 0.750 924 E HN 0.165 nan 8.360 nan 0.000 0.458 925 K N 0.371 120.783 120.400 0.020 0.000 2.057 925 K HA 0.042 4.397 4.320 0.058 0.000 0.206 925 K C 1.832 178.428 176.600 -0.007 0.000 1.050 925 K CA 1.557 57.861 56.287 0.028 0.000 0.935 925 K CB -0.766 31.779 32.500 0.076 0.000 0.715 925 K HN 0.120 nan 8.250 nan 0.000 0.439 926 A N 0.857 123.671 122.820 -0.011 0.000 2.076 926 A HA -0.086 4.269 4.320 0.058 0.000 0.220 926 A C 2.152 179.712 177.584 -0.041 0.000 1.160 926 A CA 1.533 53.547 52.037 -0.039 0.000 0.653 926 A CB -0.541 18.499 19.000 0.066 0.000 0.801 926 A HN 0.436 nan 8.150 nan 0.000 0.455 927 L N -0.250 120.955 121.223 -0.030 0.000 2.121 927 L HA 0.109 4.484 4.340 0.058 0.000 0.200 927 L C 1.421 178.276 176.870 -0.025 0.000 1.132 927 L CA 0.386 55.204 54.840 -0.036 0.000 0.782 927 L CB -0.341 41.701 42.059 -0.029 0.000 0.940 927 L HN 0.502 nan 8.230 nan 0.000 0.458 928 R N 1.613 122.105 120.500 -0.013 0.000 2.566 928 R HA -0.150 4.224 4.340 0.058 0.000 0.273 928 R C 0.601 176.898 176.300 -0.004 0.000 0.981 928 R CA 0.724 56.820 56.100 -0.006 0.000 1.091 928 R CB -0.113 30.189 30.300 0.004 0.000 0.924 928 R HN 0.673 nan 8.270 nan 0.000 0.411 929 E N 0.391 120.588 120.200 -0.006 0.000 2.864 929 E HA -0.376 4.009 4.350 0.058 0.000 0.262 929 E C 0.075 176.688 176.600 0.022 0.000 1.227 929 E CA 1.694 58.092 56.400 -0.004 0.000 0.706 929 E CB -1.073 28.619 29.700 -0.013 0.000 1.340 929 E HN 0.777 nan 8.360 nan 0.000 0.443 930 A N 0.653 123.479 122.820 0.009 0.000 1.970 930 A HA 0.118 4.472 4.320 0.058 0.000 0.204 930 A C 1.949 179.531 177.584 -0.004 0.000 1.325 930 A CA 0.973 53.006 52.037 -0.005 0.000 0.767 930 A CB -0.155 18.812 19.000 -0.055 0.000 0.949 930 A HN 0.096 nan 8.150 nan 0.000 0.481 931 K N 1.454 121.843 120.400 -0.019 0.000 2.049 931 K HA -0.259 4.096 4.320 0.058 0.000 0.219 931 K C 1.944 178.546 176.600 0.003 0.000 1.056 931 K CA 2.605 58.876 56.287 -0.026 0.000 0.946 931 K CB -0.340 32.139 32.500 -0.036 0.000 0.723 931 K HN 0.631 nan 8.250 nan 0.000 0.453 932 E N -0.034 120.178 120.200 0.020 0.000 2.028 932 E HA -0.206 4.178 4.350 0.058 0.000 0.191 932 E C 2.136 178.799 176.600 0.105 0.000 0.988 932 E CA 1.070 57.490 56.400 0.033 0.000 0.799 932 E CB -0.943 28.760 29.700 0.005 0.000 0.755 932 E HN 0.325 nan 8.360 nan 0.000 0.447 933 F N 2.627 122.523 119.950 -0.089 0.000 2.015 933 F HA -0.243 4.319 4.527 0.058 0.000 0.297 933 F C 2.505 178.260 175.800 -0.074 0.000 1.141 933 F CA 1.639 59.575 58.000 -0.107 0.000 1.192 933 F CB -0.981 37.928 39.000 -0.150 0.000 0.957 933 F HN -0.086 nan 8.300 nan 0.000 0.491 934 M N 0.224 119.845 119.600 0.034 0.000 2.113 934 M HA -0.317 4.198 4.480 0.058 0.000 0.255 934 M C 2.028 178.335 176.300 0.012 0.000 1.073 934 M CA 2.536 57.758 55.300 -0.131 0.000 1.091 934 M CB -0.900 31.621 32.600 -0.131 0.000 1.309 934 M HN 0.275 nan 8.290 nan 0.000 0.407 935 E N -0.047 120.175 120.200 0.036 0.000 2.110 935 E HA -0.220 4.165 4.350 0.058 0.000 0.193 935 E C 2.008 178.641 176.600 0.055 0.000 0.988 935 E CA 1.103 57.522 56.400 0.033 0.000 0.804 935 E CB -0.321 29.389 29.700 0.016 0.000 0.745 935 E HN 0.488 nan 8.360 nan 0.000 0.458 936 K N 1.215 121.672 120.400 0.094 0.000 2.057 936 K HA -0.230 4.125 4.320 0.058 0.000 0.207 936 K C 2.029 178.693 176.600 0.106 0.000 1.049 936 K CA 1.516 57.851 56.287 0.080 0.000 0.931 936 K CB 0.106 32.642 32.500 0.059 0.000 0.714 936 K HN -0.073 nan 8.250 nan 0.000 0.440 937 E N 0.297 120.616 120.200 0.199 0.000 2.051 937 E HA -0.067 4.317 4.350 0.058 0.000 0.189 937 E C 1.786 178.440 176.600 0.091 0.000 0.979 937 E CA 0.761 57.276 56.400 0.193 0.000 0.803 937 E CB 0.046 29.952 29.700 0.343 0.000 0.761 937 E HN 0.202 nan 8.360 nan 0.000 0.451 938 L N -0.401 120.854 121.223 0.054 0.000 2.313 938 L HA 0.214 4.588 4.340 0.058 0.000 0.214 938 L C 1.496 178.380 176.870 0.022 0.000 1.119 938 L CA 1.134 55.989 54.840 0.024 0.000 0.809 938 L CB -0.372 41.690 42.059 0.005 0.000 0.933 938 L HN 0.346 nan 8.230 nan 0.000 0.449 939 G N 0.064 108.880 108.800 0.028 0.000 2.221 939 G HA2 -0.288 3.706 3.960 0.058 0.000 0.265 939 G HA3 -0.288 3.706 3.960 0.058 0.000 0.265 939 G C -0.047 174.859 174.900 0.010 0.000 1.041 939 G CA 0.538 45.649 45.100 0.018 0.000 0.807 939 G HN 0.200 nan 8.290 nan 0.000 0.502 940 I N -1.033 119.543 120.570 0.010 0.000 2.994 940 I HA 0.523 4.728 4.170 0.058 0.000 0.306 940 I C -0.094 176.025 176.117 0.004 0.000 1.195 940 I CA -1.581 59.722 61.300 0.004 0.000 1.001 940 I CB 2.041 40.043 38.000 0.002 0.000 1.244 940 I HN 0.183 nan 8.210 nan 0.000 0.437 941 E N 4.307 124.508 120.200 0.001 0.000 2.194 941 E HA 0.372 4.757 4.350 0.058 0.000 0.284 941 E C -1.205 175.389 176.600 -0.009 0.000 1.035 941 E CA -0.498 55.900 56.400 -0.004 0.000 0.836 941 E CB 0.708 30.406 29.700 -0.003 0.000 1.070 941 E HN 0.309 nan 8.360 nan 0.000 0.401 942 I N 5.385 125.940 120.570 -0.025 0.000 2.428 942 I HA 0.278 4.482 4.170 0.058 0.000 0.296 942 I C -0.152 175.906 176.117 -0.098 0.000 0.985 942 I CA -0.622 60.644 61.300 -0.057 0.000 1.260 942 I CB 1.464 39.423 38.000 -0.069 0.000 1.389 942 I HN 0.490 nan 8.210 nan 0.000 0.484 943 I N 7.156 127.636 120.570 -0.150 0.000 2.542 943 I HA 0.362 4.567 4.170 0.058 0.000 0.278 943 I C -0.173 175.779 176.117 -0.275 0.000 1.069 943 I CA -0.293 60.917 61.300 -0.150 0.000 1.100 943 I CB 0.527 38.486 38.000 -0.068 0.000 1.204 943 I HN 0.331 nan 8.210 nan 0.000 0.470 944 I N 3.813 124.192 120.570 -0.318 0.000 3.138 944 I HA 0.083 4.288 4.170 0.058 0.000 0.288 944 I C 0.806 176.814 176.117 -0.182 0.000 1.148 944 I CA -0.510 60.555 61.300 -0.391 0.000 1.315 944 I CB 0.188 38.018 38.000 -0.283 0.000 1.426 944 I HN 0.536 nan 8.210 nan 0.000 0.615 945 N N 2.953 121.593 118.700 -0.100 0.000 2.974 945 N HA -0.156 4.618 4.740 0.058 0.000 0.298 945 N C -2.157 173.329 175.510 -0.040 0.000 1.048 945 N CA 0.184 53.219 53.050 -0.026 0.000 0.849 945 N CB -1.162 37.323 38.487 -0.005 0.000 0.952 945 N HN 0.399 nan 8.380 nan 0.000 0.615 946 P HA 0.145 nan 4.420 nan 0.000 0.323 946 P C 1.147 178.428 177.300 -0.031 0.000 1.319 946 P CA -0.137 62.944 63.100 -0.031 0.000 0.741 946 P CB 0.558 32.246 31.700 -0.019 0.000 1.545 947 T N -3.110 111.428 114.554 -0.027 0.000 3.232 947 T HA 0.053 4.437 4.350 0.058 0.000 0.259 947 T C 0.241 174.925 174.700 -0.027 0.000 0.987 947 T CA -0.206 61.876 62.100 -0.029 0.000 1.096 947 T CB -0.686 68.169 68.868 -0.023 0.000 1.131 947 T HN 0.470 nan 8.240 nan 0.000 0.445 948 E N 1.671 121.858 120.200 -0.023 0.000 2.438 948 E HA 0.057 4.442 4.350 0.058 0.000 0.261 948 E C -0.877 175.703 176.600 -0.034 0.000 1.103 948 E CA -0.054 56.331 56.400 -0.025 0.000 0.959 948 E CB 0.346 30.033 29.700 -0.021 0.000 0.958 948 E HN 0.249 nan 8.360 nan 0.000 0.447 949 D N 1.632 122.005 120.400 -0.046 0.000 2.441 949 D HA 0.118 4.793 4.640 0.058 0.000 0.231 949 D C -0.017 176.215 176.300 -0.113 0.000 1.073 949 D CA -0.566 53.395 54.000 -0.064 0.000 0.850 949 D CB 0.908 41.677 40.800 -0.053 0.000 1.062 949 D HN 0.256 nan 8.370 nan 0.000 0.524 950 K N 1.938 122.242 120.400 -0.159 0.000 2.401 950 K HA 0.162 4.516 4.320 0.058 0.000 0.176 950 K C 1.305 177.588 176.600 -0.529 0.000 1.109 950 K CA 0.038 56.116 56.287 -0.348 0.000 1.146 950 K CB -0.769 31.514 32.500 -0.362 0.000 1.600 950 K HN 0.422 nan 8.250 nan 0.000 0.474 951 G N 0.130 108.366 108.800 -0.941 0.000 3.471 951 G HA2 0.334 4.328 3.960 0.058 0.000 0.254 951 G HA3 0.334 4.328 3.960 0.058 0.000 0.254 951 G C 0.565 175.327 174.900 -0.230 0.000 1.199 951 G CA 0.343 45.036 45.100 -0.679 0.000 1.683 951 G HN 0.588 nan 8.290 nan 0.000 0.625 952 G N -0.009 108.689 108.800 -0.170 0.000 2.142 952 G HA2 -0.293 3.702 3.960 0.058 0.000 0.225 952 G HA3 -0.293 3.702 3.960 0.058 0.000 0.225 952 G C 1.096 175.977 174.900 -0.032 0.000 1.015 952 G CA 0.553 45.613 45.100 -0.068 0.000 0.716 952 G HN 0.622 nan 8.290 nan 0.000 0.508 953 K N 0.542 120.913 120.400 -0.048 0.000 1.975 953 K HA -0.067 4.288 4.320 0.058 0.000 0.224 953 K C 1.229 177.836 176.600 0.012 0.000 1.038 953 K CA 1.317 57.613 56.287 0.015 0.000 1.009 953 K CB -0.397 32.120 32.500 0.029 0.000 0.750 953 K HN 0.406 nan 8.250 nan 0.000 0.445 954 K N 1.965 122.361 120.400 -0.007 0.000 2.396 954 K HA -0.168 4.186 4.320 0.058 0.000 0.248 954 K C 0.206 176.788 176.600 -0.030 0.000 1.076 954 K CA 0.616 56.884 56.287 -0.031 0.000 1.162 954 K CB -0.011 32.461 32.500 -0.047 0.000 0.743 954 K HN 0.292 nan 8.250 nan 0.000 0.490 955 K N 1.230 121.594 120.400 -0.060 0.000 2.852 955 K HA -0.298 4.057 4.320 0.058 0.000 0.248 955 K C 0.487 177.084 176.600 -0.005 0.000 0.967 955 K CA 1.366 57.619 56.287 -0.057 0.000 0.724 955 K CB -0.884 31.566 32.500 -0.084 0.000 1.223 955 K HN 0.768 nan 8.250 nan 0.000 0.480 956 Q N -0.603 119.201 119.800 0.007 0.000 2.296 956 Q HA 0.338 4.713 4.340 0.058 0.000 0.273 956 Q C -0.285 175.723 176.000 0.014 0.000 0.900 956 Q CA -0.011 55.803 55.803 0.018 0.000 0.993 956 Q CB 0.335 29.087 28.738 0.024 0.000 1.132 956 Q HN 0.351 nan 8.270 nan 0.000 0.439 957 A N 0.520 123.338 122.820 -0.003 0.000 2.479 957 A HA 0.816 5.171 4.320 0.058 0.000 0.296 957 A C -0.943 176.612 177.584 -0.048 0.000 1.121 957 A CA -0.785 51.244 52.037 -0.013 0.000 0.743 957 A CB 1.569 20.570 19.000 0.002 0.000 1.323 957 A HN 0.374 nan 8.150 nan 0.000 0.415 958 M N 0.400 119.966 119.600 -0.056 0.000 2.664 958 M HA 0.438 4.952 4.480 0.058 0.000 0.314 958 M C -2.661 173.569 176.300 -0.117 0.000 1.200 958 M CA -2.433 52.814 55.300 -0.089 0.000 0.916 958 M CB 1.005 33.558 32.600 -0.077 0.000 1.717 958 M HN 0.246 nan 8.290 nan 0.000 0.470 959 P HA 0.115 nan 4.420 nan 0.000 0.265 959 P C 0.244 177.521 177.300 -0.039 0.000 1.193 959 P CA 0.052 63.078 63.100 -0.123 0.000 0.765 959 P CB 0.313 31.532 31.700 -0.802 0.000 0.823 960 L N 0.179 121.487 121.223 0.141 0.000 5.051 960 L HA -0.248 4.127 4.340 0.058 0.000 0.432 960 L C 0.480 177.398 176.870 0.081 0.000 1.055 960 L CA 1.682 56.496 54.840 -0.044 0.000 1.095 960 L CB -2.049 39.978 42.059 -0.053 0.000 1.957 960 L HN 0.555 nan 8.230 nan 0.000 0.727 961 K N 0.907 121.375 120.400 0.113 0.000 2.992 961 K HA 0.378 4.732 4.320 0.058 0.000 0.178 961 K C -2.222 174.447 176.600 0.115 0.000 1.122 961 K CA -1.231 55.123 56.287 0.113 0.000 0.926 961 K CB 1.479 33.996 32.500 0.030 0.000 1.121 961 K HN -0.005 nan 8.250 nan 0.000 0.610 962 P HA 0.022 nan 4.420 nan 0.000 0.271 962 P C -0.720 176.616 177.300 0.061 0.000 1.238 962 P CA -0.283 62.929 63.100 0.187 0.000 0.794 962 P CB 0.889 32.800 31.700 0.352 0.000 0.959 963 A N 1.404 124.276 122.820 0.087 0.000 2.290 963 A HA 0.613 4.967 4.320 0.058 0.000 0.310 963 A C 0.041 177.705 177.584 0.134 0.000 1.202 963 A CA -0.510 51.577 52.037 0.083 0.000 0.837 963 A CB -0.282 18.768 19.000 0.085 0.000 1.139 963 A HN 0.584 nan 8.150 nan 0.000 0.509 964 I N -0.329 120.311 120.570 0.116 0.000 2.785 964 I HA 0.893 5.098 4.170 0.058 0.000 0.302 964 I C -1.238 175.014 176.117 0.226 0.000 1.069 964 I CA -1.113 60.300 61.300 0.190 0.000 1.045 964 I CB 1.928 39.978 38.000 0.084 0.000 1.236 964 I HN 0.508 nan 8.210 nan 0.000 0.429 965 F N 7.154 127.163 119.950 0.097 0.000 2.579 965 F HA 0.668 5.229 4.527 0.058 0.000 0.325 965 F C -1.085 174.751 175.800 0.060 0.000 1.162 965 F CA -1.031 57.007 58.000 0.063 0.000 0.946 965 F CB 1.464 40.497 39.000 0.054 0.000 1.211 965 F HN 0.622 nan 8.300 nan 0.000 0.447 966 I N 3.185 123.346 120.570 -0.682 0.000 2.342 966 I HA 0.762 4.967 4.170 0.058 0.000 0.291 966 I C -0.497 175.171 176.117 -0.748 0.000 1.010 966 I CA 0.006 61.017 61.300 -0.481 0.000 1.308 966 I CB 1.285 39.122 38.000 -0.271 0.000 1.400 966 I HN 0.850 nan 8.210 nan 0.000 0.488 967 E N 0.000 120.023 120.200 -0.295 0.000 2.725 967 E HA 0.000 4.385 4.350 0.058 0.000 0.291 967 E CA 0.000 56.359 56.400 -0.069 0.000 0.976 967 E CB 0.000 29.625 29.700 -0.126 0.000 0.812 967 E HN 0.000 nan 8.360 nan 0.000 0.440