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 1s5l_1_B DATA FIRST_RESID 6 DATA SEQUENCE YRVHTVLIND PGRLIAAHLM HTALVAGWAG SMALYELATF DPSDPVLNPM DATA SEQUENCE WRQGMFVLPF MARLGVTGSW SGWSITGETG IDPGFWSFEG VALAHIVLSG DATA SEQUENCE LLFLAACWHW VYWDLELFRD PRTGEPALDL PKMFGIHLFL AGLLCFGFGA DATA SEQUENCE FHLTGLFGPG MWVSDPYGLT GSVQPVAPEW GPDGFNPYNP GGVVAHHIAA DATA SEQUENCE GIVGIIAGLF HILVRPPQRL YKALRMGNIE TVLSSSIAAV FFAAFVVAGT DATA SEQUENCE MWYGSATTPI ELFGPTRYQW DSSYFQQEIN RRVQASLASG ATLEEAWSAI DATA SEQUENCE PEKLAFYDYI GNNPAKGGLF RTGPMNKGDG IAQAWKGHAV FRNKEGEELF DATA SEQUENCE VRRMPAFFES FPVILTDKNG VVKADIPFRR AESKYSFEQQ GVTVSFYGGE DATA SEQUENCE LNGQTFTDPP TVKSYARKAI FGEIFEFDTE TLNSDGIFRT SPRGWFTFAH DATA SEQUENCE AVFALLFFFG HIWHGARTLF RDVFSG 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 6 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.890 175.900 -0.017 0.000 1.272 6 Y CA 0.000 58.092 58.100 -0.014 0.000 1.940 6 Y CB 0.000 38.447 38.460 -0.022 0.000 1.050 7 R N 1.093 121.573 120.500 -0.034 0.000 2.312 7 R HA 0.700 5.047 4.340 0.011 0.000 0.311 7 R C -0.508 175.747 176.300 -0.076 0.000 1.004 7 R CA -0.483 55.572 56.100 -0.075 0.000 0.902 7 R CB 1.992 32.327 30.300 0.059 0.000 1.073 7 R HN 0.690 nan 8.270 nan 0.000 0.457 8 V N -0.304 119.482 119.914 -0.212 0.000 3.119 8 V HA 0.020 4.147 4.120 0.011 0.000 0.245 8 V C 0.890 176.888 176.094 -0.160 0.000 1.598 8 V CA -0.023 62.170 62.300 -0.177 0.000 1.116 8 V CB -0.167 31.517 31.823 -0.231 0.000 0.981 8 V HN 0.804 nan 8.190 nan 0.000 0.430 9 H N 1.254 120.313 119.070 -0.017 0.000 2.547 9 H HA 0.119 4.681 4.556 0.011 0.000 0.274 9 H C 1.859 177.180 175.328 -0.012 0.000 1.024 9 H CA 0.882 56.924 56.048 -0.010 0.000 1.155 9 H CB 0.241 29.994 29.762 -0.017 0.000 1.344 9 H HN 0.373 nan 8.280 nan 0.000 0.598 10 T N -0.414 114.172 114.554 0.053 0.000 2.857 10 T HA -0.126 4.230 4.350 0.011 0.000 0.266 10 T C 2.309 177.009 174.700 0.000 0.000 1.048 10 T CA 0.727 62.843 62.100 0.026 0.000 1.139 10 T CB -0.204 68.675 68.868 0.019 0.000 0.874 10 T HN 0.182 nan 8.240 nan 0.000 0.455 11 V N 1.509 121.425 119.914 0.003 0.000 2.546 11 V HA -0.132 3.995 4.120 0.011 0.000 0.254 11 V C 2.247 178.318 176.094 -0.039 0.000 1.076 11 V CA 1.204 63.491 62.300 -0.021 0.000 1.087 11 V CB -0.539 31.279 31.823 -0.008 0.000 0.674 11 V HN 0.338 nan 8.190 nan 0.000 0.470 12 L N -0.733 120.481 121.223 -0.014 0.000 2.492 12 L HA 0.100 4.446 4.340 0.011 0.000 0.223 12 L C 1.876 178.707 176.870 -0.065 0.000 1.132 12 L CA 1.159 55.975 54.840 -0.041 0.000 0.850 12 L CB -0.543 41.506 42.059 -0.017 0.000 0.966 12 L HN 0.290 nan 8.230 nan 0.000 0.454 13 I N -0.438 120.098 120.570 -0.057 0.000 2.194 13 I HA -0.407 3.770 4.170 0.011 0.000 0.246 13 I C 1.719 177.796 176.117 -0.066 0.000 1.093 13 I CA 1.902 63.162 61.300 -0.067 0.000 1.355 13 I CB 0.026 37.985 38.000 -0.067 0.000 1.046 13 I HN 0.466 nan 8.210 nan 0.000 0.413 14 N N -0.250 118.410 118.700 -0.067 0.000 2.457 14 N HA -0.093 4.654 4.740 0.011 0.000 0.180 14 N C 0.076 175.558 175.510 -0.047 0.000 1.050 14 N CA 0.228 53.244 53.050 -0.057 0.000 0.906 14 N CB 0.180 38.628 38.487 -0.064 0.000 0.968 14 N HN 0.290 nan 8.380 nan 0.000 0.445 15 D N -0.327 120.035 120.400 -0.064 0.000 2.425 15 D HA 0.182 4.828 4.640 0.011 0.000 0.240 15 D C -2.102 174.193 176.300 -0.008 0.000 1.080 15 D CA -2.277 51.700 54.000 -0.038 0.000 0.836 15 D CB 2.090 42.811 40.800 -0.132 0.000 1.125 15 D HN -0.138 nan 8.370 nan 0.000 0.525 16 P HA 0.035 nan 4.420 nan 0.000 0.212 16 P C 1.375 178.726 177.300 0.085 0.000 1.180 16 P CA 1.107 64.234 63.100 0.044 0.000 0.902 16 P CB 0.176 31.916 31.700 0.066 0.000 0.778 17 G N -0.401 108.500 108.800 0.169 0.000 2.485 17 G HA2 -0.289 3.678 3.960 0.011 0.000 0.221 17 G HA3 -0.289 3.678 3.960 0.011 0.000 0.221 17 G C 1.830 176.875 174.900 0.242 0.000 1.115 17 G CA 0.823 46.069 45.100 0.243 0.000 0.751 17 G HN 0.159 nan 8.290 nan 0.000 0.567 18 R N -0.532 120.064 120.500 0.160 0.000 2.161 18 R HA 0.221 4.568 4.340 0.011 0.000 0.213 18 R C 2.194 178.543 176.300 0.082 0.000 1.055 18 R CA 0.504 56.660 56.100 0.093 0.000 0.996 18 R CB -0.417 29.801 30.300 -0.137 0.000 0.901 18 R HN 0.349 nan 8.270 nan 0.000 0.456 19 L N -0.139 121.078 121.223 -0.010 0.000 2.446 19 L HA 0.251 4.598 4.340 0.011 0.000 0.219 19 L C 1.585 178.332 176.870 -0.205 0.000 1.116 19 L CA 1.061 55.817 54.840 -0.140 0.000 0.844 19 L CB -0.029 41.900 42.059 -0.216 0.000 0.970 19 L HN 0.265 nan 8.230 nan 0.000 0.457 20 I N -1.124 119.413 120.570 -0.055 0.000 3.059 20 I HA -0.026 4.151 4.170 0.011 0.000 0.270 20 I C 2.120 178.235 176.117 -0.005 0.000 1.238 20 I CA 0.856 62.142 61.300 -0.022 0.000 1.478 20 I CB 0.085 38.111 38.000 0.043 0.000 1.097 20 I HN 0.314 nan 8.210 nan 0.000 0.455 21 A N 0.818 123.666 122.820 0.046 0.000 1.843 21 A HA -0.025 4.301 4.320 0.011 0.000 0.213 21 A C 2.497 180.088 177.584 0.012 0.000 1.202 21 A CA 1.320 53.387 52.037 0.050 0.000 0.607 21 A CB -1.050 18.087 19.000 0.229 0.000 0.847 21 A HN 0.454 nan 8.150 nan 0.000 0.445 22 A N -0.446 122.393 122.820 0.032 0.000 1.884 22 A HA -0.292 4.035 4.320 0.011 0.000 0.219 22 A C 1.958 179.603 177.584 0.102 0.000 1.197 22 A CA 1.959 54.008 52.037 0.020 0.000 0.637 22 A CB -1.384 17.621 19.000 0.009 0.000 0.827 22 A HN 0.762 nan 8.150 nan 0.000 0.450 23 H N -1.048 118.004 119.070 -0.031 0.000 2.489 23 H HA -0.042 4.521 4.556 0.011 0.000 0.295 23 H C 1.977 177.297 175.328 -0.013 0.000 1.082 23 H CA 0.866 56.894 56.048 -0.033 0.000 1.295 23 H CB -0.100 29.633 29.762 -0.048 0.000 1.380 23 H HN 0.389 nan 8.280 nan 0.000 0.548 24 L N -0.050 121.225 121.223 0.086 0.000 2.044 24 L HA -0.192 4.155 4.340 0.011 0.000 0.205 24 L C 2.492 179.381 176.870 0.032 0.000 1.075 24 L CA 0.930 55.783 54.840 0.022 0.000 0.747 24 L CB -0.191 41.838 42.059 -0.050 0.000 0.903 24 L HN 0.340 nan 8.230 nan 0.000 0.435 25 M N -1.364 118.245 119.600 0.015 0.000 2.086 25 M HA -0.266 4.221 4.480 0.011 0.000 0.261 25 M C 2.407 178.740 176.300 0.055 0.000 1.067 25 M CA 1.604 56.922 55.300 0.031 0.000 1.116 25 M CB -0.860 31.730 32.600 -0.017 0.000 1.348 25 M HN 0.316 nan 8.290 nan 0.000 0.407 26 H N -0.036 119.022 119.070 -0.021 0.000 2.390 26 H HA -0.135 4.428 4.556 0.011 0.000 0.298 26 H C 1.582 176.891 175.328 -0.030 0.000 1.106 26 H CA 1.953 57.976 56.048 -0.041 0.000 1.297 26 H CB 0.040 29.756 29.762 -0.077 0.000 1.375 26 H HN 0.277 nan 8.280 nan 0.000 0.509 27 T N 0.298 114.919 114.554 0.112 0.000 2.985 27 T HA 0.076 4.433 4.350 0.011 0.000 0.266 27 T C 2.078 176.796 174.700 0.031 0.000 1.076 27 T CA 0.736 62.874 62.100 0.063 0.000 1.135 27 T CB -0.262 68.637 68.868 0.051 0.000 0.890 27 T HN 0.491 nan 8.240 nan 0.000 0.480 28 A N 0.978 123.825 122.820 0.045 0.000 2.016 28 A HA 0.181 4.508 4.320 0.011 0.000 0.217 28 A C 2.122 179.736 177.584 0.050 0.000 1.162 28 A CA 0.758 52.840 52.037 0.075 0.000 0.662 28 A CB -0.490 18.604 19.000 0.157 0.000 0.812 28 A HN 0.471 nan 8.150 nan 0.000 0.450 29 L N -0.738 120.483 121.223 -0.004 0.000 2.240 29 L HA -0.053 4.294 4.340 0.011 0.000 0.211 29 L C 2.202 179.077 176.870 0.008 0.000 1.106 29 L CA 0.471 55.297 54.840 -0.023 0.000 0.793 29 L CB -0.322 41.675 42.059 -0.102 0.000 0.927 29 L HN 0.200 nan 8.230 nan 0.000 0.446 30 V N 0.111 120.006 119.914 -0.032 0.000 2.667 30 V HA -0.142 3.985 4.120 0.011 0.000 0.252 30 V C 2.599 178.799 176.094 0.177 0.000 1.065 30 V CA 1.530 63.861 62.300 0.052 0.000 1.083 30 V CB -0.389 31.425 31.823 -0.015 0.000 0.692 30 V HN 0.435 nan 8.190 nan 0.000 0.468 31 A N 0.401 123.299 122.820 0.130 0.000 1.975 31 A HA 0.105 4.431 4.320 0.011 0.000 0.215 31 A C 2.289 179.957 177.584 0.140 0.000 1.170 31 A CA 1.337 53.475 52.037 0.168 0.000 0.656 31 A CB -0.704 18.350 19.000 0.090 0.000 0.821 31 A HN 0.503 nan 8.150 nan 0.000 0.449 32 G N -2.291 106.568 108.800 0.099 0.000 2.650 32 G HA2 -0.098 3.869 3.960 0.011 0.000 0.214 32 G HA3 -0.098 3.869 3.960 0.011 0.000 0.214 32 G C 1.199 176.136 174.900 0.062 0.000 1.136 32 G CA 0.762 45.895 45.100 0.055 0.000 0.789 32 G HN 0.669 nan 8.290 nan 0.000 0.536 33 W N 1.374 122.650 121.300 -0.040 0.000 2.481 33 W HA 0.324 4.990 4.660 0.011 0.000 0.293 33 W C 2.420 178.907 176.519 -0.053 0.000 1.201 33 W CA 1.157 58.471 57.345 -0.051 0.000 1.328 33 W CB -0.103 29.321 29.460 -0.061 0.000 1.112 33 W HN 0.143 nan 8.180 nan 0.000 0.546 34 A N 0.926 123.603 122.820 -0.239 0.000 2.024 34 A HA -0.048 4.278 4.320 0.011 0.000 0.220 34 A C 2.168 179.469 177.584 -0.472 0.000 1.164 34 A CA 2.025 53.739 52.037 -0.539 0.000 0.643 34 A CB -1.566 17.203 19.000 -0.385 0.000 0.806 34 A HN 0.429 nan 8.150 nan 0.000 0.451 35 G N -0.788 107.855 108.800 -0.261 0.000 2.464 35 G HA2 -0.190 3.776 3.960 0.011 0.000 0.214 35 G HA3 -0.190 3.776 3.960 0.011 0.000 0.214 35 G C 1.919 176.683 174.900 -0.227 0.000 1.218 35 G CA 1.477 46.469 45.100 -0.181 0.000 0.794 35 G HN 0.595 nan 8.290 nan 0.000 0.542 36 S N -0.183 115.372 115.700 -0.242 0.000 2.378 36 S HA -0.276 4.201 4.470 0.011 0.000 0.229 36 S C 2.426 176.867 174.600 -0.264 0.000 1.052 36 S CA 2.437 60.507 58.200 -0.217 0.000 1.084 36 S CB -0.344 62.731 63.200 -0.208 0.000 0.950 36 S HN 0.201 nan 8.310 nan 0.000 0.440 37 M N 1.663 120.928 119.600 -0.558 0.000 2.059 37 M HA 0.110 4.597 4.480 0.011 0.000 0.259 37 M C 2.233 178.362 176.300 -0.284 0.000 1.072 37 M CA 1.873 56.868 55.300 -0.508 0.000 1.117 37 M CB -1.456 30.485 32.600 -1.098 0.000 1.320 37 M HN 0.407 nan 8.290 nan 0.000 0.408 38 A N 0.092 122.700 122.820 -0.354 0.000 1.859 38 A HA -0.194 4.133 4.320 0.011 0.000 0.217 38 A C 2.218 179.712 177.584 -0.149 0.000 1.198 38 A CA 2.134 54.015 52.037 -0.260 0.000 0.629 38 A CB -1.322 17.518 19.000 -0.266 0.000 0.830 38 A HN 0.567 nan 8.150 nan 0.000 0.446 39 L N -2.242 118.911 121.223 -0.117 0.000 1.990 39 L HA -0.261 4.085 4.340 0.011 0.000 0.213 39 L C 2.655 179.516 176.870 -0.015 0.000 1.072 39 L CA 2.301 57.105 54.840 -0.059 0.000 0.755 39 L CB -0.992 41.039 42.059 -0.046 0.000 0.889 39 L HN 0.584 nan 8.230 nan 0.000 0.432 40 Y N 1.088 121.317 120.300 -0.119 0.000 2.114 40 Y HA -0.318 4.238 4.550 0.011 0.000 0.282 40 Y C 2.574 178.438 175.900 -0.061 0.000 1.165 40 Y CA 1.951 60.001 58.100 -0.083 0.000 1.148 40 Y CB -0.302 38.107 38.460 -0.086 0.000 0.972 40 Y HN 0.205 nan 8.280 nan 0.000 0.504 41 E N -0.203 119.952 120.200 -0.075 0.000 2.077 41 E HA -0.218 4.139 4.350 0.011 0.000 0.193 41 E C 2.247 178.767 176.600 -0.133 0.000 0.989 41 E CA 1.501 57.827 56.400 -0.123 0.000 0.800 41 E CB -0.315 29.347 29.700 -0.064 0.000 0.746 41 E HN 0.502 nan 8.360 nan 0.000 0.452 42 L N 0.199 121.353 121.223 -0.116 0.000 2.083 42 L HA -0.160 4.187 4.340 0.011 0.000 0.209 42 L C 2.514 179.303 176.870 -0.134 0.000 1.083 42 L CA 0.944 55.723 54.840 -0.101 0.000 0.752 42 L CB -0.451 41.584 42.059 -0.042 0.000 0.899 42 L HN 0.148 nan 8.230 nan 0.000 0.433 43 A N -0.620 122.105 122.820 -0.157 0.000 2.014 43 A HA -0.101 4.226 4.320 0.011 0.000 0.218 43 A C 2.251 179.709 177.584 -0.210 0.000 1.163 43 A CA 1.824 53.764 52.037 -0.161 0.000 0.652 43 A CB -0.478 18.438 19.000 -0.139 0.000 0.808 43 A HN 0.396 nan 8.150 nan 0.000 0.449 44 T N -1.383 112.999 114.554 -0.287 0.000 3.031 44 T HA 0.184 4.541 4.350 0.011 0.000 0.254 44 T C 0.514 175.090 174.700 -0.207 0.000 1.060 44 T CA -0.221 61.706 62.100 -0.288 0.000 1.135 44 T CB -0.255 68.353 68.868 -0.434 0.000 0.896 44 T HN 0.291 nan 8.240 nan 0.000 0.472 45 F N 3.320 123.089 119.950 -0.303 0.000 2.628 45 F HA 0.201 4.735 4.527 0.011 0.000 0.362 45 F C 0.417 176.025 175.800 -0.320 0.000 1.148 45 F CA -0.646 57.168 58.000 -0.311 0.000 1.352 45 F CB 0.352 39.093 39.000 -0.431 0.000 1.081 45 F HN -0.038 nan 8.300 nan 0.000 0.605 46 D N 5.838 125.432 120.400 -1.343 0.000 2.303 46 D HA 0.345 4.992 4.640 0.011 0.000 0.236 46 D C -2.297 173.697 176.300 -0.509 0.000 1.068 46 D CA -2.340 51.211 54.000 -0.748 0.000 0.830 46 D CB 1.914 42.388 40.800 -0.542 0.000 1.109 46 D HN 0.141 nan 8.370 nan 0.000 0.496 47 P HA 0.008 nan 4.420 nan 0.000 0.221 47 P C 1.325 178.801 177.300 0.293 0.000 1.152 47 P CA 0.457 63.756 63.100 0.333 0.000 0.851 47 P CB 0.227 32.026 31.700 0.165 0.000 0.833 48 S N -0.159 115.605 115.700 0.106 0.000 2.407 48 S HA -0.228 4.249 4.470 0.011 0.000 0.244 48 S C 0.851 175.510 174.600 0.098 0.000 1.077 48 S CA 2.075 60.325 58.200 0.083 0.000 1.159 48 S CB -1.372 61.841 63.200 0.022 0.000 1.045 48 S HN 0.221 nan 8.310 nan 0.000 0.438 49 D N 0.683 121.134 120.400 0.085 0.000 2.736 49 D HA 0.457 5.103 4.640 0.011 0.000 0.243 49 D C -2.600 173.763 176.300 0.105 0.000 1.304 49 D CA -2.315 51.739 54.000 0.090 0.000 0.934 49 D CB 1.922 42.758 40.800 0.060 0.000 1.382 49 D HN -0.112 nan 8.370 nan 0.000 0.571 50 P HA -0.024 nan 4.420 nan 0.000 0.219 50 P C 1.525 178.889 177.300 0.107 0.000 1.154 50 P CA 0.195 63.381 63.100 0.143 0.000 0.826 50 P CB 0.456 32.251 31.700 0.158 0.000 0.795 51 V N -0.477 119.510 119.914 0.122 0.000 2.392 51 V HA -0.185 3.942 4.120 0.011 0.000 0.249 51 V C 2.112 178.343 176.094 0.229 0.000 1.059 51 V CA 1.755 64.146 62.300 0.152 0.000 1.051 51 V CB -0.925 30.975 31.823 0.127 0.000 0.658 51 V HN 0.092 nan 8.190 nan 0.000 0.455 52 L N -1.178 120.162 121.223 0.195 0.000 2.731 52 L HA 0.328 4.674 4.340 0.011 0.000 0.240 52 L C 0.656 177.697 176.870 0.284 0.000 1.120 52 L CA 0.223 55.236 54.840 0.289 0.000 0.913 52 L CB 0.249 42.349 42.059 0.067 0.000 1.213 52 L HN 0.307 nan 8.230 nan 0.000 0.515 53 N N 0.671 119.424 118.700 0.089 0.000 2.711 53 N HA 0.191 4.938 4.740 0.011 0.000 0.263 53 N C -2.682 172.743 175.510 -0.142 0.000 1.667 53 N CA -1.272 51.762 53.050 -0.026 0.000 0.785 53 N CB 1.359 39.831 38.487 -0.025 0.000 1.231 53 N HN -0.123 nan 8.380 nan 0.000 0.503 54 P HA 0.057 nan 4.420 nan 0.000 0.274 54 P C 1.209 178.367 177.300 -0.236 0.000 1.246 54 P CA -0.413 62.468 63.100 -0.366 0.000 0.795 54 P CB 0.813 31.895 31.700 -1.030 0.000 1.006 55 M N -0.139 119.565 119.600 0.173 0.000 2.195 55 M HA -0.118 4.369 4.480 0.011 0.000 0.260 55 M C 1.674 178.096 176.300 0.203 0.000 1.066 55 M CA 1.990 57.543 55.300 0.422 0.000 1.089 55 M CB -1.350 31.447 32.600 0.328 0.000 1.377 55 M HN 0.402 nan 8.290 nan 0.000 0.411 56 W N 0.949 122.331 121.300 0.137 0.000 2.721 56 W HA 0.153 4.820 4.660 0.011 0.000 0.245 56 W C 1.777 178.352 176.519 0.093 0.000 1.276 56 W CA 0.198 57.599 57.345 0.094 0.000 1.342 56 W CB -0.565 28.913 29.460 0.029 0.000 1.135 56 W HN 0.092 nan 8.180 nan 0.000 0.654 57 R N 0.061 120.437 120.500 -0.206 0.000 2.206 57 R HA -0.007 4.340 4.340 0.011 0.000 0.198 57 R C 2.141 178.450 176.300 0.015 0.000 0.986 57 R CA 0.573 56.621 56.100 -0.087 0.000 1.029 57 R CB -0.029 30.139 30.300 -0.220 0.000 0.966 57 R HN 0.241 nan 8.270 nan 0.000 0.487 58 Q N -0.502 119.300 119.800 0.003 0.000 2.046 58 Q HA -0.042 4.304 4.340 0.011 0.000 0.200 58 Q C 1.025 177.079 176.000 0.092 0.000 0.975 58 Q CA 1.646 57.454 55.803 0.008 0.000 0.836 58 Q CB 0.125 28.858 28.738 -0.009 0.000 0.896 58 Q HN 0.537 nan 8.270 nan 0.000 0.428 59 G N -0.148 108.752 108.800 0.168 0.000 2.155 59 G HA2 -0.141 3.826 3.960 0.011 0.000 0.135 59 G HA3 -0.141 3.826 3.960 0.011 0.000 0.135 59 G C -0.034 175.010 174.900 0.239 0.000 1.023 59 G CA -0.249 44.974 45.100 0.206 0.000 0.688 59 G HN 0.028 nan 8.290 nan 0.000 0.499 60 M N 0.266 120.027 119.600 0.269 0.000 2.200 60 M HA 0.412 4.899 4.480 0.011 0.000 0.355 60 M C 1.100 177.621 176.300 0.369 0.000 1.283 60 M CA -0.209 55.260 55.300 0.282 0.000 1.124 60 M CB 0.640 33.399 32.600 0.266 0.000 1.625 60 M HN 0.167 nan 8.290 nan 0.000 0.463 61 F N 3.514 123.582 119.950 0.196 0.000 2.289 61 F HA 0.061 4.594 4.527 0.011 0.000 0.280 61 F C 1.687 177.677 175.800 0.316 0.000 1.045 61 F CA 1.084 59.254 58.000 0.283 0.000 1.236 61 F CB -0.272 38.897 39.000 0.281 0.000 1.116 61 F HN 0.332 nan 8.300 nan 0.000 0.550 62 V N 0.681 120.563 119.914 -0.053 0.000 2.270 62 V HA -0.238 3.889 4.120 0.011 0.000 0.245 62 V C 2.457 178.485 176.094 -0.110 0.000 1.043 62 V CA 1.666 63.842 62.300 -0.207 0.000 1.014 62 V CB -0.782 30.866 31.823 -0.292 0.000 0.645 62 V HN 0.397 nan 8.190 nan 0.000 0.447 63 L N 0.614 121.729 121.223 -0.180 0.000 2.077 63 L HA -0.247 4.100 4.340 0.011 0.000 0.231 63 L C -0.062 176.649 176.870 -0.265 0.000 1.100 63 L CA 2.947 57.598 54.840 -0.314 0.000 0.819 63 L CB -2.015 39.883 42.059 -0.268 0.000 0.913 63 L HN 0.259 nan 8.230 nan 0.000 0.446 64 P HA -0.227 nan 4.420 nan 0.000 0.217 64 P C 1.607 178.640 177.300 -0.444 0.000 1.158 64 P CA 1.930 64.744 63.100 -0.478 0.000 0.887 64 P CB -0.202 31.086 31.700 -0.687 0.000 0.792 65 F N -2.422 117.425 119.950 -0.172 0.000 2.367 65 F HA 0.014 4.548 4.527 0.011 0.000 0.298 65 F C 2.426 178.174 175.800 -0.087 0.000 1.094 65 F CA 0.981 58.940 58.000 -0.068 0.000 1.409 65 F CB -0.998 37.986 39.000 -0.028 0.000 1.064 65 F HN -0.152 nan 8.300 nan 0.000 0.528 66 M N -0.344 119.258 119.600 0.004 0.000 2.132 66 M HA -0.129 4.358 4.480 0.011 0.000 0.263 66 M C 2.560 178.876 176.300 0.028 0.000 1.065 66 M CA 1.605 56.882 55.300 -0.038 0.000 1.122 66 M CB -0.625 31.798 32.600 -0.295 0.000 1.365 66 M HN 0.178 nan 8.290 nan 0.000 0.411 67 A N 0.499 123.278 122.820 -0.069 0.000 1.858 67 A HA -0.206 4.121 4.320 0.011 0.000 0.216 67 A C 2.155 179.693 177.584 -0.077 0.000 1.190 67 A CA 1.887 53.889 52.037 -0.059 0.000 0.617 67 A CB -0.894 17.946 19.000 -0.267 0.000 0.827 67 A HN 0.457 nan 8.150 nan 0.000 0.443 68 R N -0.294 120.091 120.500 -0.191 0.000 2.190 68 R HA -0.200 4.147 4.340 0.011 0.000 0.255 68 R C 1.106 177.499 176.300 0.155 0.000 1.143 68 R CA 2.122 58.166 56.100 -0.092 0.000 0.965 68 R CB -0.481 29.781 30.300 -0.064 0.000 0.889 68 R HN 0.530 nan 8.270 nan 0.000 0.448 69 L N -0.260 121.089 121.223 0.209 0.000 2.653 69 L HA 0.216 4.563 4.340 0.011 0.000 0.232 69 L C 0.857 177.920 176.870 0.321 0.000 1.169 69 L CA 0.429 55.471 54.840 0.336 0.000 0.951 69 L CB 0.544 42.836 42.059 0.388 0.000 1.181 69 L HN 0.665 nan 8.230 nan 0.000 0.460 70 G N 0.321 109.275 108.800 0.257 0.000 2.130 70 G HA2 -0.218 3.748 3.960 0.011 0.000 0.216 70 G HA3 -0.218 3.748 3.960 0.011 0.000 0.216 70 G C -0.026 175.008 174.900 0.223 0.000 0.999 70 G CA -0.165 45.074 45.100 0.232 0.000 0.686 70 G HN 0.113 nan 8.290 nan 0.000 0.515 71 V N 0.817 120.888 119.914 0.263 0.000 2.348 71 V HA 0.623 4.750 4.120 0.011 0.000 0.270 71 V C 1.002 177.318 176.094 0.370 0.000 1.037 71 V CA 0.618 63.126 62.300 0.347 0.000 0.872 71 V CB 1.103 33.211 31.823 0.476 0.000 1.002 71 V HN 0.272 nan 8.190 nan 0.000 0.464 72 T N 2.449 117.045 114.554 0.070 0.000 2.954 72 T HA 0.250 4.607 4.350 0.011 0.000 0.252 72 T C 1.056 175.423 174.700 -0.554 0.000 0.983 72 T CA 0.538 62.536 62.100 -0.170 0.000 0.941 72 T CB 0.769 69.591 68.868 -0.078 0.000 1.141 72 T HN 0.765 nan 8.240 nan 0.000 0.500 73 G N 1.646 110.199 108.800 -0.412 0.000 2.547 73 G HA2 0.546 4.513 3.960 0.011 0.000 0.291 73 G HA3 0.546 4.513 3.960 0.011 0.000 0.291 73 G C -0.487 174.137 174.900 -0.460 0.000 1.211 73 G CA -0.283 44.585 45.100 -0.388 0.000 0.950 73 G HN 0.377 nan 8.290 nan 0.000 0.504 74 S N -1.568 114.037 115.700 -0.159 0.000 2.564 74 S HA 0.293 4.769 4.470 0.011 0.000 0.274 74 S C 0.025 174.752 174.600 0.212 0.000 1.124 74 S CA -0.759 57.465 58.200 0.039 0.000 0.869 74 S CB 1.302 64.618 63.200 0.194 0.000 1.105 74 S HN 0.533 nan 8.310 nan 0.000 0.472 75 W N 2.023 123.315 121.300 -0.012 0.000 2.387 75 W HA 0.065 4.731 4.660 0.009 0.000 0.272 75 W C 2.189 178.692 176.519 -0.026 0.000 1.224 75 W CA 0.690 58.010 57.345 -0.041 0.000 1.210 75 W CB -1.232 28.213 29.460 -0.026 0.000 1.125 75 W HN 0.715 nan 8.180 nan 0.000 0.572 76 S N -0.990 114.849 115.700 0.231 0.000 2.603 76 S HA 0.268 4.745 4.470 0.011 0.000 0.220 76 S C 1.817 176.490 174.600 0.121 0.000 0.967 76 S CA 0.924 59.218 58.200 0.156 0.000 0.920 76 S CB -0.028 63.264 63.200 0.153 0.000 0.773 76 S HN 0.440 nan 8.310 nan 0.000 0.529 77 G N 0.759 109.617 108.800 0.097 0.000 2.313 77 G HA2 -0.268 3.698 3.960 0.011 0.000 0.215 77 G HA3 -0.268 3.698 3.960 0.011 0.000 0.215 77 G C 0.026 174.943 174.900 0.029 0.000 1.023 77 G CA -0.260 44.863 45.100 0.039 0.000 0.626 77 G HN 0.497 nan 8.290 nan 0.000 0.503 78 W N 4.156 125.439 121.300 -0.029 0.000 2.703 78 W HA 0.440 5.107 4.660 0.011 0.000 0.356 78 W C 0.767 177.231 176.519 -0.090 0.000 1.361 78 W CA 0.480 57.810 57.345 -0.026 0.000 1.322 78 W CB 0.068 29.534 29.460 0.009 0.000 1.402 78 W HN 0.781 nan 8.180 nan 0.000 0.579 79 S N 5.138 120.275 115.700 -0.939 0.000 2.536 79 S HA 0.451 4.928 4.470 0.011 0.000 0.298 79 S C 0.645 174.690 174.600 -0.924 0.000 1.083 79 S CA -0.926 56.725 58.200 -0.915 0.000 0.995 79 S CB 1.467 64.406 63.200 -0.434 0.000 1.058 79 S HN 0.524 nan 8.310 nan 0.000 0.488 80 I N 1.517 121.632 120.570 -0.758 0.000 2.394 80 I HA -0.116 4.061 4.170 0.011 0.000 0.251 80 I C 2.234 178.290 176.117 -0.102 0.000 1.136 80 I CA 1.005 62.096 61.300 -0.347 0.000 1.425 80 I CB -0.725 37.187 38.000 -0.147 0.000 1.079 80 I HN 0.684 nan 8.210 nan 0.000 0.425 81 T N 0.319 114.822 114.554 -0.086 0.000 3.007 81 T HA 0.005 4.362 4.350 0.011 0.000 0.270 81 T C 1.704 176.387 174.700 -0.027 0.000 1.107 81 T CA 1.186 63.284 62.100 -0.003 0.000 1.118 81 T CB -0.163 68.703 68.868 -0.004 0.000 0.889 81 T HN 0.716 nan 8.240 nan 0.000 0.506 82 G N 1.463 110.211 108.800 -0.087 0.000 2.363 82 G HA2 -0.254 3.713 3.960 0.011 0.000 0.238 82 G HA3 -0.254 3.713 3.960 0.011 0.000 0.238 82 G C 0.050 174.916 174.900 -0.057 0.000 1.062 82 G CA -0.082 44.984 45.100 -0.056 0.000 0.629 82 G HN 0.557 nan 8.290 nan 0.000 0.514 83 E N 1.354 121.521 120.200 -0.056 0.000 1.996 83 E HA 0.464 4.820 4.350 0.011 0.000 0.280 83 E C 0.488 177.046 176.600 -0.069 0.000 1.092 83 E CA 0.228 56.599 56.400 -0.048 0.000 0.862 83 E CB 0.552 30.232 29.700 -0.034 0.000 1.066 83 E HN 0.256 nan 8.360 nan 0.000 0.396 84 T N 1.309 115.825 114.554 -0.065 0.000 3.044 84 T HA 0.050 4.407 4.350 0.011 0.000 0.260 84 T C 1.718 176.384 174.700 -0.057 0.000 1.019 84 T CA 0.158 62.214 62.100 -0.073 0.000 0.921 84 T CB 0.605 69.430 68.868 -0.070 0.000 1.053 84 T HN 0.573 nan 8.240 nan 0.000 0.533 85 G N 1.732 110.506 108.800 -0.043 0.000 2.479 85 G HA2 -0.066 3.900 3.960 0.011 0.000 0.220 85 G HA3 -0.066 3.900 3.960 0.011 0.000 0.220 85 G C 0.948 175.821 174.900 -0.045 0.000 1.115 85 G CA 0.567 45.645 45.100 -0.037 0.000 0.757 85 G HN 0.587 nan 8.290 nan 0.000 0.560 86 I N 0.079 120.617 120.570 -0.053 0.000 3.621 86 I HA 0.162 4.339 4.170 0.011 0.000 0.325 86 I C -0.815 175.254 176.117 -0.081 0.000 1.554 86 I CA -0.533 60.731 61.300 -0.059 0.000 1.053 86 I CB 0.905 38.879 38.000 -0.043 0.000 1.302 86 I HN -0.105 nan 8.210 nan 0.000 0.518 87 D N 4.406 124.748 120.400 -0.097 0.000 2.347 87 D HA 0.323 4.970 4.640 0.011 0.000 0.235 87 D C -1.887 174.308 176.300 -0.174 0.000 1.149 87 D CA -1.450 52.476 54.000 -0.122 0.000 0.850 87 D CB 1.214 41.941 40.800 -0.121 0.000 1.061 87 D HN 0.087 nan 8.370 nan 0.000 0.487 88 P HA 0.317 nan 4.420 nan 0.000 0.373 88 P C 0.130 177.124 177.300 -0.511 0.000 1.591 88 P CA -0.523 62.315 63.100 -0.436 0.000 1.530 88 P CB 0.723 32.107 31.700 -0.527 0.000 1.994 89 G N 0.409 109.069 108.800 -0.233 0.000 2.195 89 G HA2 -0.035 3.932 3.960 0.011 0.000 0.264 89 G HA3 -0.035 3.932 3.960 0.011 0.000 0.264 89 G C 0.382 175.214 174.900 -0.114 0.000 1.148 89 G CA -0.155 44.900 45.100 -0.075 0.000 1.023 89 G HN 0.097 nan 8.290 nan 0.000 0.429 90 F N 0.802 120.751 119.950 -0.002 0.000 2.451 90 F HA 0.103 4.636 4.527 0.010 0.000 0.299 90 F C 0.883 176.560 175.800 -0.205 0.000 1.101 90 F CA 0.784 58.668 58.000 -0.193 0.000 1.436 90 F CB 0.191 39.091 39.000 -0.168 0.000 1.074 90 F HN 0.498 nan 8.300 nan 0.000 0.553 91 W N 0.145 121.689 121.300 0.408 0.000 2.409 91 W HA 0.320 4.986 4.660 0.010 0.000 0.285 91 W C -0.036 176.691 176.519 0.347 0.000 1.030 91 W CA -0.614 57.000 57.345 0.448 0.000 1.330 91 W CB 0.597 30.255 29.460 0.330 0.000 1.236 91 W HN -0.284 nan 8.180 nan 0.000 0.341 92 S N -0.193 115.853 115.700 0.577 0.000 2.618 92 S HA 0.486 4.963 4.470 0.011 0.000 0.284 92 S C 1.098 175.943 174.600 0.408 0.000 1.102 92 S CA -0.630 57.799 58.200 0.382 0.000 0.984 92 S CB 0.381 63.717 63.200 0.227 0.000 1.280 92 S HN 0.326 nan 8.310 nan 0.000 0.525 93 F N 1.944 121.967 119.950 0.121 0.000 2.027 93 F HA -0.205 4.328 4.527 0.011 0.000 0.297 93 F C 2.959 178.732 175.800 -0.046 0.000 1.129 93 F CA 1.536 59.564 58.000 0.047 0.000 1.195 93 F CB -0.556 38.478 39.000 0.056 0.000 0.960 93 F HN 0.553 nan 8.300 nan 0.000 0.485 94 E N 0.459 120.698 120.200 0.064 0.000 2.095 94 E HA -0.271 4.086 4.350 0.011 0.000 0.212 94 E C 2.353 178.717 176.600 -0.392 0.000 1.044 94 E CA 1.687 57.887 56.400 -0.333 0.000 0.857 94 E CB -1.240 27.980 29.700 -0.798 0.000 0.764 94 E HN 0.522 nan 8.360 nan 0.000 0.462 95 G N 1.018 109.642 108.800 -0.293 0.000 2.422 95 G HA2 -0.154 3.813 3.960 0.011 0.000 0.218 95 G HA3 -0.154 3.813 3.960 0.011 0.000 0.218 95 G C 1.846 176.927 174.900 0.302 0.000 1.140 95 G CA 0.794 46.051 45.100 0.262 0.000 0.775 95 G HN 0.169 nan 8.290 nan 0.000 0.545 96 V N 1.514 121.575 119.914 0.246 0.000 2.490 96 V HA -0.155 3.971 4.120 0.011 0.000 0.250 96 V C 3.269 179.446 176.094 0.138 0.000 1.061 96 V CA 1.883 64.300 62.300 0.194 0.000 1.064 96 V CB -0.763 31.167 31.823 0.179 0.000 0.670 96 V HN 0.484 nan 8.190 nan 0.000 0.461 97 A N 0.148 122.998 122.820 0.051 0.000 1.845 97 A HA -0.176 4.150 4.320 0.011 0.000 0.215 97 A C 2.187 179.792 177.584 0.035 0.000 1.195 97 A CA 1.903 53.937 52.037 -0.005 0.000 0.616 97 A CB -0.657 18.308 19.000 -0.058 0.000 0.832 97 A HN 0.475 nan 8.150 nan 0.000 0.443 98 L N -0.740 120.503 121.223 0.033 0.000 2.129 98 L HA -0.279 4.067 4.340 0.011 0.000 0.212 98 L C 3.059 179.957 176.870 0.047 0.000 1.087 98 L CA 1.077 55.949 54.840 0.054 0.000 0.757 98 L CB -0.877 41.254 42.059 0.120 0.000 0.896 98 L HN 0.515 nan 8.230 nan 0.000 0.434 99 A N 0.026 122.871 122.820 0.041 0.000 1.829 99 A HA -0.276 4.051 4.320 0.011 0.000 0.216 99 A C 1.979 179.538 177.584 -0.041 0.000 1.207 99 A CA 1.999 54.008 52.037 -0.046 0.000 0.622 99 A CB -1.070 17.894 19.000 -0.060 0.000 0.846 99 A HN 0.410 nan 8.150 nan 0.000 0.447 100 H N -0.132 118.910 119.070 -0.047 0.000 2.357 100 H HA -0.126 4.437 4.556 0.011 0.000 0.296 100 H C 1.875 177.185 175.328 -0.030 0.000 1.108 100 H CA 2.005 58.029 56.048 -0.039 0.000 1.273 100 H CB -0.387 29.345 29.762 -0.050 0.000 1.367 100 H HN 0.485 nan 8.280 nan 0.000 0.498 101 I N -0.679 119.937 120.570 0.076 0.000 2.252 101 I HA -0.230 3.947 4.170 0.011 0.000 0.245 101 I C 2.116 178.242 176.117 0.014 0.000 1.102 101 I CA 0.780 62.097 61.300 0.029 0.000 1.385 101 I CB -0.262 37.744 38.000 0.011 0.000 1.064 101 I HN 0.099 nan 8.210 nan 0.000 0.414 102 V N 0.870 120.790 119.914 0.009 0.000 2.295 102 V HA -0.285 3.842 4.120 0.011 0.000 0.246 102 V C 2.440 178.533 176.094 -0.002 0.000 1.049 102 V CA 1.769 64.072 62.300 0.006 0.000 1.024 102 V CB -0.570 31.253 31.823 -0.002 0.000 0.648 102 V HN 0.355 nan 8.190 nan 0.000 0.447 103 L N 0.356 121.559 121.223 -0.033 0.000 1.989 103 L HA -0.181 4.165 4.340 0.011 0.000 0.211 103 L C 2.690 179.563 176.870 0.006 0.000 1.071 103 L CA 2.535 57.349 54.840 -0.044 0.000 0.749 103 L CB -0.964 41.020 42.059 -0.125 0.000 0.890 103 L HN 0.357 nan 8.230 nan 0.000 0.431 104 S N -0.592 115.119 115.700 0.019 0.000 2.380 104 S HA -0.198 4.279 4.470 0.011 0.000 0.229 104 S C 2.062 176.710 174.600 0.080 0.000 1.043 104 S CA 1.579 59.808 58.200 0.049 0.000 1.038 104 S CB -1.049 62.173 63.200 0.037 0.000 0.872 104 S HN 0.704 nan 8.310 nan 0.000 0.456 105 G N 1.548 110.380 108.800 0.054 0.000 2.433 105 G HA2 -0.109 3.857 3.960 0.011 0.000 0.216 105 G HA3 -0.109 3.857 3.960 0.011 0.000 0.216 105 G C 1.431 176.429 174.900 0.163 0.000 1.186 105 G CA 1.021 46.169 45.100 0.080 0.000 0.779 105 G HN 0.518 nan 8.290 nan 0.000 0.543 106 L N 0.211 121.499 121.223 0.107 0.000 1.943 106 L HA -0.109 4.238 4.340 0.011 0.000 0.215 106 L C 2.991 179.940 176.870 0.132 0.000 1.074 106 L CA 1.068 55.972 54.840 0.106 0.000 0.759 106 L CB -0.828 41.263 42.059 0.055 0.000 0.888 106 L HN 0.174 nan 8.230 nan 0.000 0.433 107 L N -0.952 120.331 121.223 0.100 0.000 2.064 107 L HA -0.314 4.033 4.340 0.011 0.000 0.216 107 L C 2.645 179.584 176.870 0.116 0.000 1.077 107 L CA 1.688 56.578 54.840 0.084 0.000 0.766 107 L CB -0.960 41.136 42.059 0.062 0.000 0.890 107 L HN 0.223 nan 8.230 nan 0.000 0.435 108 F N 1.005 120.972 119.950 0.029 0.000 2.025 108 F HA -0.267 4.267 4.527 0.011 0.000 0.297 108 F C 2.403 178.251 175.800 0.079 0.000 1.132 108 F CA 1.744 59.762 58.000 0.030 0.000 1.191 108 F CB -0.416 38.597 39.000 0.022 0.000 0.963 108 F HN -0.164 nan 8.300 nan 0.000 0.481 109 L N 0.216 121.589 121.223 0.249 0.000 2.021 109 L HA -0.329 4.018 4.340 0.011 0.000 0.215 109 L C 2.839 179.871 176.870 0.271 0.000 1.074 109 L CA 1.449 56.440 54.840 0.251 0.000 0.760 109 L CB -1.446 40.822 42.059 0.347 0.000 0.889 109 L HN 0.407 nan 8.230 nan 0.000 0.433 110 A N 0.024 122.959 122.820 0.192 0.000 1.859 110 A HA -0.283 4.044 4.320 0.011 0.000 0.217 110 A C 2.572 180.255 177.584 0.164 0.000 1.198 110 A CA 2.299 54.472 52.037 0.228 0.000 0.629 110 A CB -1.048 18.027 19.000 0.125 0.000 0.830 110 A HN 0.447 nan 8.150 nan 0.000 0.446 111 A N -0.969 121.825 122.820 -0.042 0.000 1.906 111 A HA -0.374 3.953 4.320 0.011 0.000 0.222 111 A C 2.365 179.912 177.584 -0.061 0.000 1.282 111 A CA 2.308 54.275 52.037 -0.118 0.000 0.675 111 A CB -1.704 17.157 19.000 -0.232 0.000 0.838 111 A HN 0.735 nan 8.150 nan 0.000 0.469 112 C N -2.675 116.490 119.300 -0.225 0.000 2.403 112 C HA -0.162 4.305 4.460 0.011 0.000 0.277 112 C C 2.167 176.987 174.990 -0.283 0.000 1.248 112 C CA 0.707 59.507 59.018 -0.364 0.000 1.762 112 C CB -1.451 25.844 27.740 -0.742 0.000 2.014 112 C HN 0.768 nan 8.230 nan 0.000 0.486 113 W N -0.815 120.521 121.300 0.060 0.000 3.345 113 W HA 0.114 4.780 4.660 0.010 0.000 0.282 113 W C 1.403 178.014 176.519 0.153 0.000 1.302 113 W CA 0.422 57.749 57.345 -0.030 0.000 1.724 113 W CB -0.513 28.807 29.460 -0.234 0.000 1.104 113 W HN 0.642 nan 8.180 nan 0.000 0.694 114 H N -3.551 115.648 119.070 0.214 0.000 2.986 114 H HA 0.040 4.603 4.556 0.011 0.000 0.267 114 H C 1.451 176.963 175.328 0.308 0.000 1.072 114 H CA -0.157 56.046 56.048 0.257 0.000 1.202 114 H CB -0.581 29.306 29.762 0.209 0.000 1.535 114 H HN 0.070 nan 8.280 nan 0.000 0.522 115 W N 0.567 121.975 121.300 0.179 0.000 2.704 115 W HA 0.106 4.773 4.660 0.011 0.000 0.266 115 W C 0.884 177.501 176.519 0.163 0.000 1.266 115 W CA 0.616 58.021 57.345 0.101 0.000 1.377 115 W CB 0.348 29.776 29.460 -0.053 0.000 1.082 115 W HN -0.088 nan 8.180 nan 0.000 0.608 116 V N -0.967 119.096 119.914 0.248 0.000 2.795 116 V HA -0.029 4.098 4.120 0.011 0.000 0.243 116 V C 0.367 176.697 176.094 0.392 0.000 1.069 116 V CA 0.774 63.174 62.300 0.166 0.000 1.089 116 V CB -0.697 31.119 31.823 -0.011 0.000 0.756 116 V HN 0.003 nan 8.190 nan 0.000 0.471 117 Y N 1.826 122.198 120.300 0.120 0.000 2.849 117 Y HA 0.111 4.668 4.550 0.012 0.000 0.356 117 Y C 0.884 176.770 175.900 -0.024 0.000 1.236 117 Y CA -0.871 57.230 58.100 0.002 0.000 1.508 117 Y CB 0.215 38.706 38.460 0.050 0.000 1.619 117 Y HN 0.522 nan 8.280 nan 0.000 0.513 118 W N 0.194 121.544 121.300 0.084 0.000 3.391 118 W HA 0.263 4.929 4.660 0.011 0.000 0.372 118 W C -0.960 175.564 176.519 0.008 0.000 1.171 118 W CA -0.318 57.049 57.345 0.038 0.000 1.862 118 W CB -0.275 29.159 29.460 -0.044 0.000 1.048 118 W HN 0.208 nan 8.180 nan 0.000 0.726 119 D N 1.429 121.495 120.400 -0.556 0.000 2.387 119 D HA 0.123 4.770 4.640 0.011 0.000 0.255 119 D C 0.534 176.717 176.300 -0.196 0.000 1.081 119 D CA -0.560 53.142 54.000 -0.496 0.000 0.994 119 D CB 2.616 43.026 40.800 -0.650 0.000 1.127 119 D HN -0.081 nan 8.370 nan 0.000 0.513 120 L N 0.925 122.063 121.223 -0.140 0.000 2.791 120 L HA 0.126 4.472 4.340 0.011 0.000 0.239 120 L C 0.183 177.007 176.870 -0.077 0.000 1.203 120 L CA 0.343 55.141 54.840 -0.069 0.000 1.002 120 L CB -0.642 41.400 42.059 -0.029 0.000 1.295 120 L HN 0.284 nan 8.230 nan 0.000 0.504 121 E N 0.126 120.257 120.200 -0.115 0.000 2.464 121 E HA 0.291 4.648 4.350 0.011 0.000 0.260 121 E C -0.306 176.250 176.600 -0.073 0.000 1.318 121 E CA -0.071 56.271 56.400 -0.097 0.000 1.571 121 E CB 0.425 30.047 29.700 -0.130 0.000 1.525 121 E HN 0.404 nan 8.360 nan 0.000 0.449 122 L N -0.818 120.384 121.223 -0.035 0.000 2.348 122 L HA 0.426 4.773 4.340 0.011 0.000 0.258 122 L C 0.272 177.199 176.870 0.095 0.000 1.208 122 L CA -1.103 53.748 54.840 0.019 0.000 1.241 122 L CB 0.526 42.598 42.059 0.022 0.000 1.742 122 L HN 0.194 nan 8.230 nan 0.000 0.544 123 F N 1.899 121.832 119.950 -0.029 0.000 2.869 123 F HA 0.220 4.754 4.527 0.011 0.000 0.298 123 F C 0.682 176.478 175.800 -0.008 0.000 1.235 123 F CA -0.120 57.870 58.000 -0.017 0.000 1.402 123 F CB -0.208 38.785 39.000 -0.011 0.000 1.142 123 F HN 0.194 nan 8.300 nan 0.000 0.529 124 R N 1.308 121.698 120.500 -0.183 0.000 2.828 124 R HA 0.306 4.653 4.340 0.011 0.000 0.264 124 R C -1.391 174.797 176.300 -0.187 0.000 1.022 124 R CA -0.713 55.234 56.100 -0.255 0.000 1.021 124 R CB 1.161 31.386 30.300 -0.126 0.000 1.163 124 R HN 0.319 nan 8.270 nan 0.000 0.494 125 D N 3.328 123.621 120.400 -0.179 0.000 2.408 125 D HA 0.465 5.112 4.640 0.011 0.000 0.243 125 D C -2.353 173.902 176.300 -0.075 0.000 1.075 125 D CA -1.360 52.573 54.000 -0.112 0.000 0.832 125 D CB 2.095 42.826 40.800 -0.116 0.000 1.162 125 D HN 0.306 nan 8.370 nan 0.000 0.515 126 P HA 0.606 nan 4.420 nan 0.000 0.349 126 P C -0.445 176.839 177.300 -0.027 0.000 1.117 126 P CA -0.613 62.466 63.100 -0.035 0.000 0.752 126 P CB 2.168 33.852 31.700 -0.026 0.000 1.557 127 R N -2.725 117.764 120.500 -0.018 0.000 2.517 127 R HA 0.232 4.579 4.340 0.011 0.000 0.228 127 R C -0.053 176.244 176.300 -0.004 0.000 0.950 127 R CA 0.023 56.116 56.100 -0.013 0.000 1.314 127 R CB -0.064 30.229 30.300 -0.012 0.000 1.739 127 R HN 0.250 nan 8.270 nan 0.000 0.481 128 T N 0.923 115.477 114.554 -0.000 0.000 2.889 128 T HA 0.460 4.817 4.350 0.011 0.000 0.291 128 T C 0.393 175.096 174.700 0.006 0.000 0.995 128 T CA -0.195 61.911 62.100 0.009 0.000 1.092 128 T CB 1.625 70.502 68.868 0.016 0.000 0.954 128 T HN 0.276 nan 8.240 nan 0.000 0.506 129 G N 0.824 109.631 108.800 0.011 0.000 2.377 129 G HA2 0.325 4.292 3.960 0.011 0.000 0.299 129 G HA3 0.325 4.292 3.960 0.011 0.000 0.299 129 G C 0.953 175.863 174.900 0.016 0.000 1.150 129 G CA -0.600 44.506 45.100 0.008 0.000 0.847 129 G HN 0.898 nan 8.290 nan 0.000 0.501 130 E N 1.913 122.121 120.200 0.013 0.000 2.136 130 E HA -0.187 4.170 4.350 0.011 0.000 0.202 130 E C -0.617 176.009 176.600 0.043 0.000 1.019 130 E CA 1.304 57.718 56.400 0.024 0.000 0.819 130 E CB -0.675 29.033 29.700 0.013 0.000 0.739 130 E HN 0.390 nan 8.360 nan 0.000 0.458 131 P HA 0.338 nan 4.420 nan 0.000 0.249 131 P C -0.957 176.363 177.300 0.033 0.000 1.583 131 P CA 0.104 63.229 63.100 0.041 0.000 0.988 131 P CB 0.684 32.404 31.700 0.033 0.000 1.530 132 A N 0.232 123.073 122.820 0.036 0.000 2.593 132 A HA 0.810 5.136 4.320 0.011 0.000 0.290 132 A C -1.707 175.901 177.584 0.040 0.000 1.126 132 A CA -0.645 51.414 52.037 0.038 0.000 0.695 132 A CB 1.266 20.291 19.000 0.042 0.000 1.290 132 A HN 0.088 nan 8.150 nan 0.000 0.414 133 L N 1.257 122.507 121.223 0.044 0.000 2.541 133 L HA 0.301 4.648 4.340 0.011 0.000 0.266 133 L C -1.160 175.745 176.870 0.057 0.000 0.966 133 L CA -0.555 54.313 54.840 0.046 0.000 0.871 133 L CB 2.063 44.147 42.059 0.040 0.000 1.232 133 L HN 0.806 nan 8.230 nan 0.000 0.408 134 D N 4.301 124.738 120.400 0.061 0.000 2.455 134 D HA 0.146 4.793 4.640 0.011 0.000 0.234 134 D C 1.253 177.605 176.300 0.087 0.000 1.224 134 D CA -0.029 54.023 54.000 0.086 0.000 0.999 134 D CB 0.815 41.658 40.800 0.073 0.000 1.072 134 D HN 0.501 nan 8.370 nan 0.000 0.514 135 L N 4.736 126.011 121.223 0.086 0.000 1.951 135 L HA -0.190 4.157 4.340 0.011 0.000 0.222 135 L C -0.280 176.675 176.870 0.142 0.000 1.078 135 L CA 1.291 56.183 54.840 0.086 0.000 0.778 135 L CB -1.988 40.091 42.059 0.033 0.000 0.893 135 L HN 0.374 nan 8.230 nan 0.000 0.436 136 P HA -0.212 nan 4.420 nan 0.000 0.221 136 P C 1.004 178.411 177.300 0.178 0.000 1.141 136 P CA 1.735 64.968 63.100 0.221 0.000 0.794 136 P CB 0.000 31.833 31.700 0.221 0.000 0.764 137 K N -1.202 119.272 120.400 0.123 0.000 2.168 137 K HA 0.142 4.468 4.320 0.011 0.000 0.201 137 K C 2.513 179.142 176.600 0.048 0.000 1.049 137 K CA 0.704 57.032 56.287 0.068 0.000 0.974 137 K CB -0.307 32.215 32.500 0.037 0.000 0.792 137 K HN 0.094 nan 8.250 nan 0.000 0.463 138 M N 0.688 120.317 119.600 0.050 0.000 2.082 138 M HA -0.220 4.267 4.480 0.011 0.000 0.258 138 M C 2.099 178.451 176.300 0.085 0.000 1.071 138 M CA 1.940 57.221 55.300 -0.031 0.000 1.103 138 M CB -0.657 31.973 32.600 0.050 0.000 1.307 138 M HN 0.164 nan 8.290 nan 0.000 0.409 139 F N 1.083 121.041 119.950 0.013 0.000 2.032 139 F HA -0.318 4.215 4.527 0.011 0.000 0.297 139 F C 2.281 178.095 175.800 0.023 0.000 1.125 139 F CA 1.457 59.470 58.000 0.022 0.000 1.202 139 F CB -0.557 38.411 39.000 -0.053 0.000 0.958 139 F HN 0.224 nan 8.300 nan 0.000 0.491 140 G N 1.128 109.958 108.800 0.050 0.000 2.513 140 G HA2 -0.310 3.656 3.960 0.011 0.000 0.219 140 G HA3 -0.310 3.656 3.960 0.011 0.000 0.219 140 G C 1.423 176.383 174.900 0.101 0.000 1.160 140 G CA 1.191 46.277 45.100 -0.023 0.000 0.767 140 G HN 0.372 nan 8.290 nan 0.000 0.571 141 I N 0.704 121.316 120.570 0.070 0.000 2.142 141 I HA -0.134 4.043 4.170 0.011 0.000 0.240 141 I C 2.379 178.585 176.117 0.149 0.000 1.078 141 I CA 1.515 62.853 61.300 0.063 0.000 1.343 141 I CB -1.664 36.282 38.000 -0.091 0.000 1.046 141 I HN 0.311 nan 8.210 nan 0.000 0.405 142 H N -0.170 119.008 119.070 0.180 0.000 2.389 142 H HA -0.152 4.411 4.556 0.011 0.000 0.299 142 H C 2.084 177.522 175.328 0.184 0.000 1.081 142 H CA 0.926 57.068 56.048 0.157 0.000 1.345 142 H CB 0.075 29.918 29.762 0.135 0.000 1.393 142 H HN 0.150 nan 8.280 nan 0.000 0.520 143 L N 0.319 121.762 121.223 0.367 0.000 1.970 143 L HA -0.185 4.162 4.340 0.011 0.000 0.212 143 L C 2.119 179.141 176.870 0.253 0.000 1.071 143 L CA 1.537 56.560 54.840 0.306 0.000 0.751 143 L CB -0.906 41.284 42.059 0.217 0.000 0.889 143 L HN 0.169 nan 8.230 nan 0.000 0.432 144 F N 0.189 120.202 119.950 0.105 0.000 2.091 144 F HA -0.263 4.271 4.527 0.011 0.000 0.299 144 F C 2.084 177.951 175.800 0.111 0.000 1.103 144 F CA 2.038 60.096 58.000 0.096 0.000 1.228 144 F CB -0.641 38.403 39.000 0.074 0.000 0.984 144 F HN 0.103 nan 8.300 nan 0.000 0.477 145 L N -0.512 120.721 121.223 0.017 0.000 2.456 145 L HA -0.106 4.241 4.340 0.011 0.000 0.224 145 L C 2.423 179.271 176.870 -0.037 0.000 1.148 145 L CA 0.713 55.505 54.840 -0.080 0.000 0.825 145 L CB -0.878 41.219 42.059 0.064 0.000 0.937 145 L HN 0.300 nan 8.230 nan 0.000 0.450 146 A N -0.171 122.666 122.820 0.029 0.000 1.901 146 A HA 0.116 4.443 4.320 0.011 0.000 0.210 146 A C 2.363 179.970 177.584 0.038 0.000 1.208 146 A CA 0.858 52.920 52.037 0.042 0.000 0.644 146 A CB -0.950 18.103 19.000 0.088 0.000 0.863 146 A HN 0.334 nan 8.150 nan 0.000 0.454 147 G N -0.079 108.749 108.800 0.047 0.000 2.462 147 G HA2 -0.152 3.815 3.960 0.011 0.000 0.220 147 G HA3 -0.152 3.815 3.960 0.011 0.000 0.220 147 G C 1.432 176.360 174.900 0.047 0.000 1.121 147 G CA 1.284 46.422 45.100 0.063 0.000 0.758 147 G HN 0.396 nan 8.290 nan 0.000 0.559 148 L N -0.287 120.894 121.223 -0.069 0.000 2.056 148 L HA 0.141 4.487 4.340 0.011 0.000 0.207 148 L C 2.523 179.456 176.870 0.105 0.000 1.078 148 L CA 1.095 55.918 54.840 -0.029 0.000 0.749 148 L CB -0.512 41.402 42.059 -0.242 0.000 0.901 148 L HN 0.160 nan 8.230 nan 0.000 0.433 149 L N -0.719 120.530 121.223 0.044 0.000 1.955 149 L HA -0.282 4.065 4.340 0.011 0.000 0.213 149 L C 2.748 179.708 176.870 0.150 0.000 1.072 149 L CA 2.080 56.951 54.840 0.052 0.000 0.755 149 L CB -1.358 40.700 42.059 -0.001 0.000 0.888 149 L HN 0.509 nan 8.230 nan 0.000 0.432 150 C N -0.657 118.735 119.300 0.153 0.000 2.366 150 C HA -0.342 4.125 4.460 0.011 0.000 0.271 150 C C 2.806 178.026 174.990 0.385 0.000 1.152 150 C CA 1.572 60.727 59.018 0.228 0.000 1.809 150 C CB -1.340 26.541 27.740 0.236 0.000 2.107 150 C HN 0.620 nan 8.230 nan 0.000 0.455 151 F N 0.762 120.814 119.950 0.170 0.000 2.025 151 F HA -0.070 4.464 4.527 0.011 0.000 0.297 151 F C 2.342 178.311 175.800 0.281 0.000 1.132 151 F CA 1.521 59.644 58.000 0.205 0.000 1.191 151 F CB -0.749 38.352 39.000 0.168 0.000 0.963 151 F HN 0.367 nan 8.300 nan 0.000 0.481 152 G N 0.046 109.002 108.800 0.260 0.000 2.514 152 G HA2 -0.399 3.568 3.960 0.011 0.000 0.217 152 G HA3 -0.399 3.568 3.960 0.011 0.000 0.217 152 G C 1.421 176.517 174.900 0.325 0.000 1.198 152 G CA 0.914 46.145 45.100 0.219 0.000 0.780 152 G HN 0.496 nan 8.290 nan 0.000 0.565 153 F N 2.541 122.550 119.950 0.099 0.000 2.147 153 F HA -0.115 4.419 4.527 0.011 0.000 0.301 153 F C 2.434 178.324 175.800 0.150 0.000 1.084 153 F CA 1.908 59.934 58.000 0.044 0.000 1.268 153 F CB -0.403 38.509 39.000 -0.145 0.000 1.009 153 F HN 0.114 nan 8.300 nan 0.000 0.486 154 G N -1.194 107.679 108.800 0.121 0.000 2.459 154 G HA2 0.078 4.045 3.960 0.011 0.000 0.213 154 G HA3 0.078 4.045 3.960 0.011 0.000 0.213 154 G C 1.717 176.674 174.900 0.095 0.000 1.155 154 G CA 0.500 45.654 45.100 0.091 0.000 0.811 154 G HN 0.601 nan 8.290 nan 0.000 0.534 155 A N 0.404 123.316 122.820 0.154 0.000 1.855 155 A HA 0.329 4.656 4.320 0.011 0.000 0.213 155 A C 2.057 179.562 177.584 -0.131 0.000 1.195 155 A CA 1.176 53.189 52.037 -0.040 0.000 0.610 155 A CB -0.341 18.477 19.000 -0.303 0.000 0.837 155 A HN 0.238 nan 8.150 nan 0.000 0.444 156 F N -1.498 118.464 119.950 0.019 0.000 2.222 156 F HA 0.136 4.670 4.527 0.012 0.000 0.285 156 F C 2.202 178.095 175.800 0.154 0.000 1.068 156 F CA 0.908 58.987 58.000 0.131 0.000 1.265 156 F CB -1.293 37.755 39.000 0.081 0.000 1.087 156 F HN 0.373 nan 8.300 nan 0.000 0.511 157 H N 0.846 120.054 119.070 0.230 0.000 2.287 157 H HA -0.181 4.381 4.556 0.011 0.000 0.292 157 H C 2.067 177.399 175.328 0.007 0.000 1.068 157 H CA 2.573 58.677 56.048 0.094 0.000 1.192 157 H CB -0.541 29.196 29.762 -0.041 0.000 1.360 157 H HN 0.111 nan 8.280 nan 0.000 0.516 158 L N -0.581 120.683 121.223 0.069 0.000 2.127 158 L HA -0.147 4.200 4.340 0.011 0.000 0.211 158 L C 2.137 179.013 176.870 0.010 0.000 1.089 158 L CA 1.655 56.497 54.840 0.003 0.000 0.757 158 L CB -0.379 41.608 42.059 -0.121 0.000 0.899 158 L HN 0.415 nan 8.230 nan 0.000 0.434 159 T N -0.910 113.655 114.554 0.019 0.000 3.148 159 T HA 0.172 4.529 4.350 0.011 0.000 0.253 159 T C 1.467 176.174 174.700 0.012 0.000 1.134 159 T CA 0.783 62.889 62.100 0.009 0.000 1.051 159 T CB 0.361 69.226 68.868 -0.005 0.000 0.959 159 T HN 0.622 nan 8.240 nan 0.000 0.525 160 G N 1.143 109.957 108.800 0.023 0.000 2.195 160 G HA2 -0.271 3.696 3.960 0.011 0.000 0.246 160 G HA3 -0.271 3.696 3.960 0.011 0.000 0.246 160 G C 0.947 175.853 174.900 0.009 0.000 0.984 160 G CA 0.234 45.340 45.100 0.010 0.000 0.633 160 G HN 0.497 nan 8.290 nan 0.000 0.525 161 L N -1.341 119.909 121.223 0.046 0.000 2.081 161 L HA -0.004 4.343 4.340 0.011 0.000 0.212 161 L C 2.203 179.025 176.870 -0.081 0.000 1.080 161 L CA 1.830 56.689 54.840 0.031 0.000 0.754 161 L CB -0.287 41.857 42.059 0.141 0.000 0.893 161 L HN 0.323 nan 8.230 nan 0.000 0.433 162 F N -1.690 118.306 119.950 0.077 0.000 2.688 162 F HA 0.285 4.819 4.527 0.011 0.000 0.310 162 F C 1.492 177.296 175.800 0.007 0.000 1.098 162 F CA 0.520 58.560 58.000 0.066 0.000 1.228 162 F CB 0.957 40.020 39.000 0.106 0.000 1.042 162 F HN 0.090 nan 8.300 nan 0.000 0.557 163 G N 0.676 109.503 108.800 0.044 0.000 2.454 163 G HA2 -0.256 3.711 3.960 0.011 0.000 0.225 163 G HA3 -0.256 3.711 3.960 0.011 0.000 0.225 163 G C -1.567 173.313 174.900 -0.033 0.000 1.138 163 G CA 0.016 45.122 45.100 0.010 0.000 0.667 163 G HN 0.165 nan 8.290 nan 0.000 0.512 164 P HA 0.359 nan 4.420 nan 0.000 0.231 164 P C 1.153 178.324 177.300 -0.214 0.000 1.756 164 P CA 0.899 63.851 63.100 -0.246 0.000 0.990 164 P CB -0.224 31.129 31.700 -0.579 0.000 1.973 165 G N 1.612 110.384 108.800 -0.046 0.000 2.794 165 G HA2 0.089 4.056 3.960 0.011 0.000 0.249 165 G HA3 0.089 4.056 3.960 0.011 0.000 0.249 165 G C -0.036 174.926 174.900 0.104 0.000 1.236 165 G CA -0.486 44.626 45.100 0.020 0.000 0.880 165 G HN 0.379 nan 8.290 nan 0.000 0.586 166 M N 0.131 119.811 119.600 0.133 0.000 2.267 166 M HA 0.364 4.851 4.480 0.011 0.000 0.303 166 M C -0.078 176.371 176.300 0.248 0.000 1.164 166 M CA -0.955 54.472 55.300 0.212 0.000 1.060 166 M CB 1.153 33.862 32.600 0.182 0.000 1.455 166 M HN 0.702 nan 8.290 nan 0.000 0.483 167 W N 3.854 125.210 121.300 0.093 0.000 2.315 167 W HA 0.543 5.210 4.660 0.011 0.000 0.316 167 W C -2.238 174.324 176.519 0.071 0.000 1.211 167 W CA -0.547 56.844 57.345 0.077 0.000 1.201 167 W CB 0.517 30.023 29.460 0.077 0.000 1.184 167 W HN 0.373 nan 8.180 nan 0.000 0.544 168 V N 4.737 124.424 119.914 -0.379 0.000 2.960 168 V HA 0.635 4.762 4.120 0.011 0.000 0.315 168 V C -0.354 175.386 176.094 -0.590 0.000 1.087 168 V CA -0.720 61.383 62.300 -0.328 0.000 0.982 168 V CB 2.001 33.728 31.823 -0.159 0.000 1.039 168 V HN 0.617 nan 8.190 nan 0.000 0.437 169 S N 0.937 116.476 115.700 -0.268 0.000 2.550 169 S HA 0.431 4.908 4.470 0.011 0.000 0.270 169 S C -1.254 173.323 174.600 -0.038 0.000 1.145 169 S CA -0.956 57.140 58.200 -0.174 0.000 0.852 169 S CB 1.828 65.018 63.200 -0.016 0.000 1.119 169 S HN 0.957 nan 8.310 nan 0.000 0.465 170 D N 0.982 121.384 120.400 0.004 0.000 2.447 170 D HA 0.282 4.928 4.640 0.011 0.000 0.265 170 D C -1.819 174.516 176.300 0.058 0.000 1.250 170 D CA -1.110 52.910 54.000 0.034 0.000 1.046 170 D CB -0.384 40.453 40.800 0.062 0.000 1.095 170 D HN 0.140 nan 8.370 nan 0.000 0.555 171 P HA -0.100 nan 4.420 nan 0.000 0.214 171 P C 0.800 178.134 177.300 0.056 0.000 1.163 171 P CA 1.522 64.575 63.100 -0.079 0.000 0.883 171 P CB -0.045 31.492 31.700 -0.271 0.000 0.788 172 Y N -0.882 119.590 120.300 0.287 0.000 2.504 172 Y HA 0.307 4.864 4.550 0.011 0.000 0.235 172 Y C 2.280 178.425 175.900 0.407 0.000 1.024 172 Y CA 0.387 58.745 58.100 0.431 0.000 1.161 172 Y CB -1.292 37.349 38.460 0.301 0.000 1.045 172 Y HN -0.160 nan 8.280 nan 0.000 0.480 173 G N 0.843 109.900 108.800 0.429 0.000 2.121 173 G HA2 -0.016 3.950 3.960 0.011 0.000 0.662 173 G HA3 -0.016 3.950 3.960 0.011 0.000 0.662 173 G C -0.847 174.187 174.900 0.223 0.000 1.317 173 G CA 0.252 45.474 45.100 0.203 0.000 1.197 173 G HN 0.304 nan 8.290 nan 0.000 0.642 174 L N -1.215 120.084 121.223 0.127 0.000 2.457 174 L HA 0.608 4.954 4.340 0.011 0.000 0.252 174 L C 0.542 177.454 176.870 0.070 0.000 1.132 174 L CA 0.121 55.050 54.840 0.147 0.000 0.938 174 L CB 1.728 43.885 42.059 0.163 0.000 1.246 174 L HN 0.425 nan 8.230 nan 0.000 0.476 175 T N 1.529 116.098 114.554 0.025 0.000 3.288 175 T HA 0.425 4.782 4.350 0.011 0.000 0.293 175 T C 0.459 175.091 174.700 -0.113 0.000 1.008 175 T CA 0.227 62.313 62.100 -0.022 0.000 0.929 175 T CB -0.205 68.661 68.868 -0.004 0.000 1.152 175 T HN 0.645 nan 8.240 nan 0.000 0.517 176 G N 0.799 109.475 108.800 -0.206 0.000 2.320 176 G HA2 0.545 4.512 3.960 0.011 0.000 0.300 176 G HA3 0.545 4.512 3.960 0.011 0.000 0.300 176 G C -0.626 173.856 174.900 -0.696 0.000 1.126 176 G CA -0.239 44.551 45.100 -0.518 0.000 0.896 176 G HN 0.310 nan 8.290 nan 0.000 0.436 177 S N 0.999 116.394 115.700 -0.508 0.000 2.627 177 S HA 0.551 5.027 4.470 0.011 0.000 0.283 177 S C -0.206 174.271 174.600 -0.205 0.000 1.127 177 S CA -0.568 57.465 58.200 -0.278 0.000 0.863 177 S CB 1.732 64.869 63.200 -0.104 0.000 1.121 177 S HN 0.517 nan 8.310 nan 0.000 0.479 178 V N 3.521 123.450 119.914 0.024 0.000 2.529 178 V HA 0.314 4.440 4.120 0.011 0.000 0.292 178 V C 0.099 176.210 176.094 0.028 0.000 1.028 178 V CA 0.502 62.856 62.300 0.091 0.000 1.074 178 V CB 0.409 32.346 31.823 0.190 0.000 0.958 178 V HN 0.775 nan 8.190 nan 0.000 0.481 179 Q N 4.880 124.689 119.800 0.015 0.000 2.379 179 Q HA 0.403 4.749 4.340 0.011 0.000 0.278 179 Q C -2.721 173.288 176.000 0.016 0.000 1.068 179 Q CA -2.025 53.780 55.803 0.004 0.000 0.816 179 Q CB 2.698 31.424 28.738 -0.021 0.000 1.387 179 Q HN 0.432 nan 8.270 nan 0.000 0.413 180 P HA -0.066 nan 4.420 nan 0.000 0.266 180 P C -1.129 176.178 177.300 0.012 0.000 1.186 180 P CA 0.200 63.307 63.100 0.011 0.000 0.767 180 P CB 0.467 32.170 31.700 0.004 0.000 0.820 181 V N 2.079 122.001 119.914 0.014 0.000 2.487 181 V HA 0.639 4.766 4.120 0.011 0.000 0.298 181 V C 0.121 176.213 176.094 -0.004 0.000 1.028 181 V CA -0.739 61.567 62.300 0.009 0.000 0.860 181 V CB 1.586 33.422 31.823 0.022 0.000 0.991 181 V HN 0.639 nan 8.190 nan 0.000 0.427 182 A N 7.029 129.844 122.820 -0.009 0.000 2.317 182 A HA 0.954 5.281 4.320 0.011 0.000 0.327 182 A C -2.588 174.963 177.584 -0.055 0.000 1.178 182 A CA -1.627 50.400 52.037 -0.017 0.000 0.817 182 A CB 1.199 20.203 19.000 0.007 0.000 1.189 182 A HN 0.625 nan 8.150 nan 0.000 0.489 183 P HA 0.351 nan 4.420 nan 0.000 0.294 183 P C -1.254 175.873 177.300 -0.287 0.000 1.294 183 P CA -0.295 62.642 63.100 -0.271 0.000 0.827 183 P CB 1.347 32.748 31.700 -0.499 0.000 0.992 184 E N 2.307 122.397 120.200 -0.183 0.000 2.149 184 E HA 0.191 4.547 4.350 0.011 0.000 0.255 184 E C -0.362 176.253 176.600 0.025 0.000 0.888 184 E CA -0.793 55.604 56.400 -0.004 0.000 0.742 184 E CB 0.151 29.884 29.700 0.056 0.000 1.164 184 E HN 0.313 nan 8.360 nan 0.000 0.422 185 W N 3.539 124.874 121.300 0.057 0.000 2.424 185 W HA -0.030 4.637 4.660 0.011 0.000 0.264 185 W C 1.474 178.001 176.519 0.012 0.000 1.229 185 W CA 0.624 57.999 57.345 0.050 0.000 1.208 185 W CB -0.759 28.716 29.460 0.026 0.000 1.127 185 W HN 0.648 nan 8.180 nan 0.000 0.588 186 G N 1.347 110.278 108.800 0.217 0.000 2.311 186 G HA2 0.029 3.995 3.960 0.011 0.000 0.274 186 G HA3 0.029 3.995 3.960 0.011 0.000 0.274 186 G C -1.419 173.513 174.900 0.053 0.000 1.511 186 G CA 0.560 45.719 45.100 0.098 0.000 1.041 186 G HN 0.040 nan 8.290 nan 0.000 0.527 187 P HA 0.164 nan 4.420 nan 0.000 0.218 187 P C 1.116 178.514 177.300 0.163 0.000 1.140 187 P CA 0.514 63.669 63.100 0.091 0.000 0.883 187 P CB 0.425 32.152 31.700 0.045 0.000 0.828 188 D N 0.338 120.804 120.400 0.109 0.000 2.218 188 D HA -0.158 4.488 4.640 0.011 0.000 0.194 188 D C 1.648 178.014 176.300 0.110 0.000 1.007 188 D CA 1.917 55.975 54.000 0.098 0.000 0.879 188 D CB -0.891 39.954 40.800 0.075 0.000 0.918 188 D HN 0.266 nan 8.370 nan 0.000 0.449 189 G N -1.581 107.296 108.800 0.128 0.000 3.605 189 G HA2 0.093 4.060 3.960 0.011 0.000 0.277 189 G HA3 0.093 4.060 3.960 0.011 0.000 0.277 189 G C 0.535 175.541 174.900 0.176 0.000 1.093 189 G CA -0.419 44.746 45.100 0.109 0.000 0.821 189 G HN 0.061 nan 8.290 nan 0.000 0.532 190 F N 1.680 121.636 119.950 0.009 0.000 2.619 190 F HA 0.199 4.733 4.527 0.011 0.000 0.293 190 F C 1.451 177.240 175.800 -0.020 0.000 1.119 190 F CA -0.916 57.088 58.000 0.006 0.000 1.445 190 F CB -0.031 38.984 39.000 0.025 0.000 1.119 190 F HN 0.289 nan 8.300 nan 0.000 0.573 191 N N 1.927 120.625 118.700 -0.002 0.000 2.294 191 N HA 0.060 4.807 4.740 0.011 0.000 0.248 191 N C -1.983 173.393 175.510 -0.223 0.000 1.300 191 N CA -0.951 52.030 53.050 -0.115 0.000 0.925 191 N CB -0.892 37.592 38.487 -0.006 0.000 1.188 191 N HN -0.052 nan 8.380 nan 0.000 0.512 192 P HA 0.020 nan 4.420 nan 0.000 0.249 192 P C -0.028 176.940 177.300 -0.554 0.000 1.229 192 P CA 0.787 63.587 63.100 -0.500 0.000 0.788 192 P CB -0.026 31.299 31.700 -0.624 0.000 1.072 193 Y N -0.689 119.580 120.300 -0.051 0.000 2.479 193 Y HA 0.170 4.727 4.550 0.011 0.000 0.283 193 Y C 1.405 177.294 175.900 -0.018 0.000 1.109 193 Y CA -0.257 57.822 58.100 -0.034 0.000 1.239 193 Y CB -0.607 37.831 38.460 -0.036 0.000 1.108 193 Y HN -0.045 nan 8.280 nan 0.000 0.548 194 N N 2.313 121.074 118.700 0.103 0.000 2.401 194 N HA 0.052 4.798 4.740 0.011 0.000 0.255 194 N C -2.200 173.328 175.510 0.029 0.000 1.110 194 N CA -1.384 51.706 53.050 0.067 0.000 0.949 194 N CB 1.295 39.814 38.487 0.054 0.000 1.110 194 N HN -0.013 nan 8.380 nan 0.000 0.490 195 P HA -0.100 nan 4.420 nan 0.000 0.221 195 P C 1.049 178.349 177.300 -0.002 0.000 1.141 195 P CA 0.865 63.984 63.100 0.031 0.000 0.794 195 P CB 0.111 31.841 31.700 0.050 0.000 0.764 196 G N -0.665 108.127 108.800 -0.015 0.000 2.471 196 G HA2 -0.166 3.801 3.960 0.011 0.000 0.219 196 G HA3 -0.166 3.801 3.960 0.011 0.000 0.219 196 G C 1.668 176.519 174.900 -0.081 0.000 1.125 196 G CA 0.709 45.774 45.100 -0.059 0.000 0.775 196 G HN 0.373 nan 8.290 nan 0.000 0.548 197 G N 0.248 109.020 108.800 -0.047 0.000 2.448 197 G HA2 -0.016 3.951 3.960 0.011 0.000 0.218 197 G HA3 -0.016 3.951 3.960 0.011 0.000 0.218 197 G C 1.647 176.499 174.900 -0.079 0.000 1.135 197 G CA 1.064 46.130 45.100 -0.056 0.000 0.784 197 G HN 0.310 nan 8.290 nan 0.000 0.543 198 V N 0.572 120.444 119.914 -0.071 0.000 2.239 198 V HA -0.124 4.003 4.120 0.011 0.000 0.242 198 V C 2.915 179.006 176.094 -0.005 0.000 1.038 198 V CA 1.288 63.547 62.300 -0.069 0.000 1.002 198 V CB -0.687 31.151 31.823 0.025 0.000 0.641 198 V HN 0.196 nan 8.190 nan 0.000 0.449 199 V N 0.657 120.579 119.914 0.013 0.000 2.250 199 V HA -0.348 3.779 4.120 0.011 0.000 0.250 199 V C 2.797 178.852 176.094 -0.065 0.000 1.060 199 V CA 2.442 64.747 62.300 0.009 0.000 1.030 199 V CB -1.362 30.432 31.823 -0.049 0.000 0.643 199 V HN 0.572 nan 8.190 nan 0.000 0.445 200 A N -0.665 122.019 122.820 -0.227 0.000 1.873 200 A HA -0.355 3.972 4.320 0.011 0.000 0.218 200 A C 2.016 179.502 177.584 -0.163 0.000 1.193 200 A CA 2.681 54.437 52.037 -0.468 0.000 0.629 200 A CB -0.998 17.695 19.000 -0.513 0.000 0.826 200 A HN 0.820 nan 8.150 nan 0.000 0.447 201 H N -0.877 118.113 119.070 -0.133 0.000 2.497 201 H HA -0.285 4.278 4.556 0.011 0.000 0.294 201 H C 1.896 177.234 175.328 0.016 0.000 1.056 201 H CA 2.693 58.690 56.048 -0.086 0.000 1.124 201 H CB -0.747 28.859 29.762 -0.260 0.000 1.407 201 H HN 0.694 nan 8.280 nan 0.000 0.617 202 H N -0.668 118.570 119.070 0.279 0.000 2.407 202 H HA -0.191 4.371 4.556 0.011 0.000 0.293 202 H C 2.530 177.970 175.328 0.186 0.000 1.122 202 H CA 1.507 57.718 56.048 0.271 0.000 1.232 202 H CB -0.211 29.792 29.762 0.401 0.000 1.361 202 H HN 0.369 nan 8.280 nan 0.000 0.498 203 I N 0.163 120.903 120.570 0.285 0.000 2.163 203 I HA -0.254 3.923 4.170 0.011 0.000 0.240 203 I C 2.801 179.015 176.117 0.163 0.000 1.081 203 I CA 0.894 62.383 61.300 0.316 0.000 1.353 203 I CB -0.391 37.785 38.000 0.295 0.000 1.054 203 I HN 0.332 nan 8.210 nan 0.000 0.407 204 A N 0.873 123.785 122.820 0.152 0.000 1.858 204 A HA -0.144 4.183 4.320 0.011 0.000 0.216 204 A C 2.533 180.108 177.584 -0.014 0.000 1.190 204 A CA 1.912 54.020 52.037 0.118 0.000 0.617 204 A CB -0.993 18.115 19.000 0.180 0.000 0.827 204 A HN 0.426 nan 8.150 nan 0.000 0.443 205 A N -0.577 122.182 122.820 -0.102 0.000 1.972 205 A HA 0.130 4.457 4.320 0.011 0.000 0.219 205 A C 2.344 179.927 177.584 -0.000 0.000 1.169 205 A CA 1.875 53.851 52.037 -0.101 0.000 0.635 205 A CB -1.285 17.556 19.000 -0.264 0.000 0.810 205 A HN 0.734 nan 8.150 nan 0.000 0.446 206 G N 0.095 108.918 108.800 0.038 0.000 2.418 206 G HA2 -0.146 3.821 3.960 0.011 0.000 0.217 206 G HA3 -0.146 3.821 3.960 0.011 0.000 0.217 206 G C 1.400 176.234 174.900 -0.110 0.000 1.158 206 G CA 1.092 46.224 45.100 0.054 0.000 0.771 206 G HN 0.358 nan 8.290 nan 0.000 0.545 207 I N 0.988 121.400 120.570 -0.263 0.000 2.142 207 I HA -0.107 4.069 4.170 0.011 0.000 0.240 207 I C 3.010 179.082 176.117 -0.075 0.000 1.078 207 I CA 0.735 61.871 61.300 -0.272 0.000 1.343 207 I CB -1.177 36.659 38.000 -0.273 0.000 1.046 207 I HN 0.029 nan 8.210 nan 0.000 0.405 208 V N 1.381 121.270 119.914 -0.041 0.000 2.469 208 V HA -0.219 3.908 4.120 0.011 0.000 0.251 208 V C 2.652 178.778 176.094 0.052 0.000 1.064 208 V CA 1.952 64.253 62.300 0.001 0.000 1.066 208 V CB -1.515 30.310 31.823 0.003 0.000 0.667 208 V HN 0.535 nan 8.190 nan 0.000 0.461 209 G N -0.111 108.728 108.800 0.065 0.000 2.404 209 G HA2 -0.189 3.778 3.960 0.011 0.000 0.215 209 G HA3 -0.189 3.778 3.960 0.011 0.000 0.215 209 G C 1.541 176.558 174.900 0.195 0.000 1.174 209 G CA 0.951 46.123 45.100 0.119 0.000 0.780 209 G HN 0.471 nan 8.290 nan 0.000 0.537 210 I N 0.537 121.218 120.570 0.184 0.000 2.069 210 I HA -0.221 3.955 4.170 0.011 0.000 0.237 210 I C 2.709 179.073 176.117 0.412 0.000 1.053 210 I CA 1.092 62.626 61.300 0.389 0.000 1.311 210 I CB -0.367 37.791 38.000 0.264 0.000 1.030 210 I HN 0.156 nan 8.210 nan 0.000 0.398 211 I N 0.876 121.581 120.570 0.225 0.000 2.039 211 I HA -0.369 3.808 4.170 0.011 0.000 0.233 211 I C 2.849 179.106 176.117 0.233 0.000 1.040 211 I CA 1.698 63.113 61.300 0.192 0.000 1.308 211 I CB -0.640 37.374 38.000 0.024 0.000 1.035 211 I HN 0.251 nan 8.210 nan 0.000 0.392 212 A N 0.831 123.733 122.820 0.137 0.000 2.023 212 A HA -0.275 4.052 4.320 0.011 0.000 0.223 212 A C 2.296 180.002 177.584 0.203 0.000 1.180 212 A CA 2.401 54.528 52.037 0.150 0.000 0.659 212 A CB -1.669 17.403 19.000 0.120 0.000 0.817 212 A HN 0.623 nan 8.150 nan 0.000 0.466 213 G N -0.390 108.549 108.800 0.231 0.000 2.464 213 G HA2 -0.131 3.835 3.960 0.011 0.000 0.214 213 G HA3 -0.131 3.835 3.960 0.011 0.000 0.214 213 G C 1.514 176.465 174.900 0.084 0.000 1.218 213 G CA 0.909 46.136 45.100 0.212 0.000 0.794 213 G HN 0.456 nan 8.290 nan 0.000 0.542 214 L N -0.598 120.623 121.223 -0.005 0.000 2.051 214 L HA -0.130 4.216 4.340 0.011 0.000 0.214 214 L C 2.441 179.212 176.870 -0.166 0.000 1.076 214 L CA 1.074 55.804 54.840 -0.183 0.000 0.758 214 L CB -0.468 41.499 42.059 -0.153 0.000 0.890 214 L HN 0.132 nan 8.230 nan 0.000 0.433 215 F N -2.177 117.718 119.950 -0.091 0.000 2.773 215 F HA 0.019 4.553 4.527 0.011 0.000 0.304 215 F C 2.083 177.776 175.800 -0.179 0.000 1.129 215 F CA 0.416 58.346 58.000 -0.117 0.000 1.378 215 F CB -0.341 38.592 39.000 -0.112 0.000 1.095 215 F HN 0.127 nan 8.300 nan 0.000 0.565 216 H N -1.377 117.682 119.070 -0.018 0.000 3.046 216 H HA 0.326 4.889 4.556 0.011 0.000 0.262 216 H C 2.081 177.344 175.328 -0.108 0.000 1.044 216 H CA 0.475 56.459 56.048 -0.107 0.000 1.209 216 H CB 0.625 30.219 29.762 -0.279 0.000 1.507 216 H HN 0.250 nan 8.280 nan 0.000 0.507 217 I N 0.029 120.596 120.570 -0.005 0.000 2.494 217 I HA -0.141 4.036 4.170 0.011 0.000 0.250 217 I C 2.082 178.150 176.117 -0.081 0.000 1.112 217 I CA 0.529 61.801 61.300 -0.047 0.000 1.438 217 I CB 0.110 38.048 38.000 -0.103 0.000 1.111 217 I HN 0.064 nan 8.210 nan 0.000 0.431 218 L N 0.303 121.438 121.223 -0.146 0.000 2.007 218 L HA -0.015 4.331 4.340 0.011 0.000 0.205 218 L C 1.080 177.881 176.870 -0.116 0.000 1.073 218 L CA 0.740 55.479 54.840 -0.168 0.000 0.744 218 L CB -0.539 41.344 42.059 -0.293 0.000 0.898 218 L HN -0.033 nan 8.230 nan 0.000 0.435 219 V N 0.369 120.218 119.914 -0.108 0.000 3.051 219 V HA 0.103 4.230 4.120 0.011 0.000 0.306 219 V C 0.435 176.504 176.094 -0.041 0.000 1.083 219 V CA -0.133 62.125 62.300 -0.071 0.000 1.104 219 V CB 1.097 32.880 31.823 -0.066 0.000 1.027 219 V HN 0.281 nan 8.190 nan 0.000 0.483 220 R N 2.137 122.626 120.500 -0.019 0.000 2.873 220 R HA 0.447 4.794 4.340 0.011 0.000 0.264 220 R C -2.607 173.717 176.300 0.040 0.000 1.026 220 R CA -2.013 54.099 56.100 0.020 0.000 1.002 220 R CB 1.157 31.463 30.300 0.009 0.000 1.174 220 R HN 0.453 nan 8.270 nan 0.000 0.488 221 P HA -0.052 nan 4.420 nan 0.000 0.257 221 P C -2.037 175.308 177.300 0.076 0.000 1.162 221 P CA -0.384 62.792 63.100 0.127 0.000 0.762 221 P CB 0.209 32.059 31.700 0.250 0.000 0.753 222 P HA -0.130 nan 4.420 nan 0.000 0.208 222 P C 0.819 178.142 177.300 0.038 0.000 1.200 222 P CA 1.256 64.376 63.100 0.033 0.000 0.924 222 P CB 0.264 31.982 31.700 0.029 0.000 0.774 223 Q N -3.845 115.990 119.800 0.058 0.000 1.656 223 Q HA 0.093 4.439 4.340 0.011 0.000 0.159 223 Q C 1.661 177.706 176.000 0.076 0.000 0.744 223 Q CA -0.122 55.717 55.803 0.061 0.000 0.767 223 Q CB 0.094 28.849 28.738 0.029 0.000 1.205 223 Q HN -0.151 nan 8.270 nan 0.000 0.368 224 R N 0.284 120.830 120.500 0.076 0.000 2.066 224 R HA 0.167 4.513 4.340 0.011 0.000 0.224 224 R C 1.956 178.303 176.300 0.079 0.000 1.122 224 R CA 0.926 57.065 56.100 0.065 0.000 0.974 224 R CB -0.002 30.331 30.300 0.056 0.000 0.871 224 R HN 0.254 nan 8.270 nan 0.000 0.435 225 L N -0.404 120.886 121.223 0.112 0.000 2.012 225 L HA -0.234 4.113 4.340 0.011 0.000 0.210 225 L C 1.880 178.771 176.870 0.036 0.000 1.073 225 L CA 1.653 56.547 54.840 0.090 0.000 0.748 225 L CB -0.348 41.799 42.059 0.147 0.000 0.891 225 L HN 0.325 nan 8.230 nan 0.000 0.431 226 Y N -0.613 119.697 120.300 0.017 0.000 2.436 226 Y HA -0.029 4.527 4.550 0.011 0.000 0.288 226 Y C 2.527 178.426 175.900 -0.002 0.000 1.112 226 Y CA 0.661 58.765 58.100 0.007 0.000 1.220 226 Y CB 0.169 38.633 38.460 0.005 0.000 1.073 226 Y HN 0.015 nan 8.280 nan 0.000 0.552 227 K N -0.739 119.755 120.400 0.155 0.000 2.128 227 K HA 0.154 4.481 4.320 0.011 0.000 0.202 227 K C 2.068 178.689 176.600 0.035 0.000 1.050 227 K CA 1.035 57.369 56.287 0.078 0.000 0.966 227 K CB -0.142 32.393 32.500 0.058 0.000 0.759 227 K HN 0.190 nan 8.250 nan 0.000 0.454 228 A N 1.752 124.592 122.820 0.033 0.000 1.859 228 A HA 0.091 4.418 4.320 0.011 0.000 0.212 228 A C 1.813 179.396 177.584 -0.001 0.000 1.238 228 A CA 0.416 52.460 52.037 0.012 0.000 0.613 228 A CB -0.486 18.525 19.000 0.019 0.000 0.904 228 A HN 0.119 nan 8.150 nan 0.000 0.457 229 L N 0.138 121.360 121.223 -0.001 0.000 2.682 229 L HA 0.140 4.487 4.340 0.011 0.000 0.240 229 L C 0.749 177.586 176.870 -0.056 0.000 1.178 229 L CA -0.311 54.516 54.840 -0.021 0.000 0.970 229 L CB -0.650 41.400 42.059 -0.015 0.000 1.179 229 L HN 0.416 nan 8.230 nan 0.000 0.435 230 R N 2.704 123.173 120.500 -0.053 0.000 2.339 230 R HA -0.231 4.116 4.340 0.011 0.000 0.240 230 R C 0.494 176.702 176.300 -0.155 0.000 0.843 230 R CA 0.799 56.852 56.100 -0.079 0.000 0.685 230 R CB -0.835 29.431 30.300 -0.055 0.000 1.778 230 R HN 0.641 nan 8.270 nan 0.000 0.540 231 M N 1.440 120.858 119.600 -0.302 0.000 2.655 231 M HA 0.414 4.901 4.480 0.011 0.000 0.311 231 M C 1.275 177.257 176.300 -0.529 0.000 1.229 231 M CA 0.593 55.660 55.300 -0.389 0.000 0.972 231 M CB 0.896 33.260 32.600 -0.394 0.000 1.366 231 M HN 0.245 nan 8.290 nan 0.000 0.500 232 G N 1.923 110.491 108.800 -0.386 0.000 2.448 232 G HA2 -0.102 3.865 3.960 0.011 0.000 0.218 232 G HA3 -0.102 3.865 3.960 0.011 0.000 0.218 232 G C 0.548 175.382 174.900 -0.111 0.000 1.135 232 G CA 0.333 45.310 45.100 -0.205 0.000 0.784 232 G HN 0.641 nan 8.290 nan 0.000 0.543 233 N N -0.416 118.214 118.700 -0.116 0.000 2.471 233 N HA 0.242 4.988 4.740 0.011 0.000 0.288 233 N C 1.023 176.479 175.510 -0.090 0.000 1.220 233 N CA -0.923 52.077 53.050 -0.084 0.000 0.893 233 N CB 1.162 39.604 38.487 -0.076 0.000 1.256 233 N HN -0.186 nan 8.380 nan 0.000 0.534 234 I N 0.625 121.151 120.570 -0.074 0.000 2.076 234 I HA -0.218 3.959 4.170 0.011 0.000 0.237 234 I C 1.984 178.050 176.117 -0.085 0.000 1.059 234 I CA 1.329 62.587 61.300 -0.070 0.000 1.317 234 I CB -1.299 36.662 38.000 -0.065 0.000 1.037 234 I HN 0.601 nan 8.210 nan 0.000 0.398 235 E N 0.335 120.477 120.200 -0.096 0.000 2.535 235 E HA -0.347 4.010 4.350 0.011 0.000 0.249 235 E C 2.012 178.558 176.600 -0.091 0.000 1.106 235 E CA 2.882 59.218 56.400 -0.107 0.000 1.212 235 E CB -0.923 28.718 29.700 -0.099 0.000 1.058 235 E HN 0.478 nan 8.360 nan 0.000 0.469 236 T N 0.689 115.194 114.554 -0.082 0.000 2.867 236 T HA -0.059 4.298 4.350 0.011 0.000 0.268 236 T C 2.066 176.725 174.700 -0.067 0.000 1.057 236 T CA 1.177 63.235 62.100 -0.069 0.000 1.136 236 T CB -0.095 68.726 68.868 -0.077 0.000 0.874 236 T HN 0.016 nan 8.240 nan 0.000 0.466 237 V N 1.539 121.406 119.914 -0.078 0.000 2.490 237 V HA -0.096 4.030 4.120 0.011 0.000 0.250 237 V C 2.293 178.343 176.094 -0.074 0.000 1.061 237 V CA 1.088 63.335 62.300 -0.087 0.000 1.064 237 V CB -0.617 31.161 31.823 -0.075 0.000 0.670 237 V HN 0.332 nan 8.190 nan 0.000 0.461 238 L N 0.155 121.338 121.223 -0.067 0.000 2.023 238 L HA -0.072 4.274 4.340 0.011 0.000 0.205 238 L C 2.530 179.397 176.870 -0.005 0.000 1.073 238 L CA 2.193 56.996 54.840 -0.060 0.000 0.745 238 L CB -0.770 41.210 42.059 -0.131 0.000 0.900 238 L HN 0.251 nan 8.230 nan 0.000 0.435 239 S N -0.513 115.195 115.700 0.014 0.000 2.368 239 S HA -0.196 4.281 4.470 0.011 0.000 0.225 239 S C 2.098 176.754 174.600 0.094 0.000 1.030 239 S CA 1.352 59.613 58.200 0.102 0.000 0.999 239 S CB -0.642 62.594 63.200 0.061 0.000 0.844 239 S HN 0.773 nan 8.310 nan 0.000 0.459 240 S N 2.327 118.031 115.700 0.006 0.000 2.365 240 S HA -0.164 4.312 4.470 0.011 0.000 0.221 240 S C 1.991 176.548 174.600 -0.072 0.000 1.037 240 S CA 1.885 60.056 58.200 -0.048 0.000 1.060 240 S CB -0.898 62.252 63.200 -0.084 0.000 0.974 240 S HN 0.417 nan 8.310 nan 0.000 0.427 241 S N 2.036 117.698 115.700 -0.064 0.000 2.382 241 S HA 0.074 4.551 4.470 0.011 0.000 0.228 241 S C 1.867 176.481 174.600 0.024 0.000 1.027 241 S CA 1.362 59.533 58.200 -0.048 0.000 0.991 241 S CB -0.673 62.487 63.200 -0.067 0.000 0.823 241 S HN 0.537 nan 8.310 nan 0.000 0.469 242 I N 1.858 122.473 120.570 0.077 0.000 2.194 242 I HA -0.289 3.888 4.170 0.011 0.000 0.246 242 I C 2.674 178.904 176.117 0.187 0.000 1.093 242 I CA 1.394 62.817 61.300 0.204 0.000 1.355 242 I CB -0.551 37.595 38.000 0.244 0.000 1.046 242 I HN 0.307 nan 8.210 nan 0.000 0.413 243 A N 0.354 123.136 122.820 -0.063 0.000 2.067 243 A HA 0.008 4.334 4.320 0.011 0.000 0.219 243 A C 2.464 180.079 177.584 0.051 0.000 1.158 243 A CA 1.456 53.328 52.037 -0.274 0.000 0.661 243 A CB -0.473 18.012 19.000 -0.858 0.000 0.801 243 A HN 0.454 nan 8.150 nan 0.000 0.452 244 A N -0.397 122.457 122.820 0.056 0.000 1.854 244 A HA 0.059 4.386 4.320 0.011 0.000 0.214 244 A C 2.155 179.891 177.584 0.253 0.000 1.192 244 A CA 1.595 53.702 52.037 0.115 0.000 0.611 244 A CB -0.928 18.090 19.000 0.032 0.000 0.832 244 A HN 0.371 nan 8.150 nan 0.000 0.442 245 V N -0.485 119.537 119.914 0.179 0.000 2.343 245 V HA -0.265 3.861 4.120 0.011 0.000 0.247 245 V C 2.366 178.574 176.094 0.190 0.000 1.051 245 V CA 2.059 64.428 62.300 0.114 0.000 1.036 245 V CB -1.220 30.604 31.823 0.001 0.000 0.654 245 V HN 0.667 nan 8.190 nan 0.000 0.451 246 F N 0.694 120.731 119.950 0.145 0.000 2.154 246 F HA -0.293 4.241 4.527 0.011 0.000 0.301 246 F C 2.102 178.119 175.800 0.361 0.000 1.087 246 F CA 2.165 60.328 58.000 0.273 0.000 1.274 246 F CB -0.392 38.817 39.000 0.349 0.000 1.009 246 F HN 0.193 nan 8.300 nan 0.000 0.485 247 F N 1.212 121.435 119.950 0.455 0.000 2.146 247 F HA 0.008 4.542 4.527 0.011 0.000 0.298 247 F C 2.268 178.128 175.800 0.100 0.000 1.096 247 F CA 1.354 59.501 58.000 0.245 0.000 1.275 247 F CB -0.939 38.197 39.000 0.226 0.000 1.008 247 F HN 0.022 nan 8.300 nan 0.000 0.480 248 A N 0.421 123.322 122.820 0.135 0.000 1.930 248 A HA 0.032 4.358 4.320 0.011 0.000 0.217 248 A C 2.367 179.874 177.584 -0.129 0.000 1.175 248 A CA 1.401 53.407 52.037 -0.052 0.000 0.627 248 A CB -1.500 17.518 19.000 0.030 0.000 0.815 248 A HN 0.472 nan 8.150 nan 0.000 0.443 249 A N -1.541 121.209 122.820 -0.117 0.000 2.019 249 A HA 0.022 4.349 4.320 0.011 0.000 0.219 249 A C 1.774 179.217 177.584 -0.235 0.000 1.164 249 A CA 1.283 53.184 52.037 -0.227 0.000 0.644 249 A CB -0.642 18.199 19.000 -0.266 0.000 0.805 249 A HN 0.476 nan 8.150 nan 0.000 0.449 250 F N -1.315 118.449 119.950 -0.311 0.000 2.743 250 F HA 0.051 4.584 4.527 0.011 0.000 0.297 250 F C 2.045 177.665 175.800 -0.299 0.000 1.131 250 F CA 0.540 58.358 58.000 -0.303 0.000 1.426 250 F CB 0.282 39.059 39.000 -0.371 0.000 1.116 250 F HN 0.023 nan 8.300 nan 0.000 0.583 251 V N -1.094 118.710 119.914 -0.183 0.000 2.300 251 V HA -0.173 3.954 4.120 0.011 0.000 0.241 251 V C 2.230 178.231 176.094 -0.154 0.000 1.034 251 V CA 1.306 63.455 62.300 -0.252 0.000 1.021 251 V CB -0.590 31.016 31.823 -0.362 0.000 0.662 251 V HN 0.061 nan 8.190 nan 0.000 0.458 252 V N 1.051 120.900 119.914 -0.109 0.000 2.282 252 V HA -0.329 3.797 4.120 0.011 0.000 0.249 252 V C 2.799 178.938 176.094 0.075 0.000 1.057 252 V CA 2.234 64.527 62.300 -0.012 0.000 1.032 252 V CB -1.593 30.266 31.823 0.059 0.000 0.645 252 V HN 0.540 nan 8.190 nan 0.000 0.447 253 A N 0.770 123.639 122.820 0.082 0.000 1.927 253 A HA -0.203 4.123 4.320 0.011 0.000 0.220 253 A C 2.407 180.065 177.584 0.123 0.000 1.185 253 A CA 2.466 54.581 52.037 0.131 0.000 0.639 253 A CB -1.321 17.646 19.000 -0.055 0.000 0.820 253 A HN 0.590 nan 8.150 nan 0.000 0.451 254 G N -2.217 106.589 108.800 0.011 0.000 2.408 254 G HA2 -0.032 3.935 3.960 0.011 0.000 0.215 254 G HA3 -0.032 3.935 3.960 0.011 0.000 0.215 254 G C 1.550 176.453 174.900 0.005 0.000 1.156 254 G CA 1.445 46.526 45.100 -0.031 0.000 0.793 254 G HN 0.415 nan 8.290 nan 0.000 0.535 255 T N 1.008 115.517 114.554 -0.075 0.000 2.635 255 T HA -0.216 4.141 4.350 0.011 0.000 0.267 255 T C 2.305 176.974 174.700 -0.052 0.000 1.040 255 T CA 1.799 63.839 62.100 -0.100 0.000 1.156 255 T CB -0.231 68.555 68.868 -0.136 0.000 0.863 255 T HN 0.184 nan 8.240 nan 0.000 0.430 256 M N 0.436 120.001 119.600 -0.059 0.000 2.126 256 M HA -0.059 4.428 4.480 0.011 0.000 0.259 256 M C 1.996 178.340 176.300 0.074 0.000 1.073 256 M CA 1.651 56.857 55.300 -0.155 0.000 1.103 256 M CB -1.308 31.186 32.600 -0.177 0.000 1.284 256 M HN 0.515 nan 8.290 nan 0.000 0.420 257 W N -0.217 121.121 121.300 0.064 0.000 2.305 257 W HA -0.326 4.340 4.660 0.011 0.000 0.308 257 W C 1.924 178.589 176.519 0.243 0.000 1.226 257 W CA 2.048 59.484 57.345 0.151 0.000 1.253 257 W CB -0.662 28.944 29.460 0.244 0.000 1.146 257 W HN 0.384 nan 8.180 nan 0.000 0.507 258 Y N -0.225 120.176 120.300 0.168 0.000 2.231 258 Y HA 0.192 4.749 4.550 0.011 0.000 0.294 258 Y C 1.489 177.374 175.900 -0.025 0.000 1.120 258 Y CA 0.805 58.922 58.100 0.028 0.000 1.141 258 Y CB -0.481 37.949 38.460 -0.049 0.000 1.022 258 Y HN -0.049 nan 8.280 nan 0.000 0.523 259 G N 0.486 109.372 108.800 0.144 0.000 3.055 259 G HA2 0.164 4.130 3.960 0.011 0.000 0.685 259 G HA3 0.164 4.130 3.960 0.011 0.000 0.685 259 G C -0.789 174.173 174.900 0.103 0.000 1.212 259 G CA -0.423 44.719 45.100 0.070 0.000 0.822 259 G HN 0.485 nan 8.290 nan 0.000 0.610 260 S N 0.554 116.260 115.700 0.009 0.000 2.720 260 S HA 0.915 5.392 4.470 0.011 0.000 0.287 260 S C 1.583 176.191 174.600 0.013 0.000 1.168 260 S CA 0.313 58.416 58.200 -0.161 0.000 0.832 260 S CB 1.456 64.510 63.200 -0.244 0.000 1.166 260 S HN 2.376 nan 8.310 nan 0.000 0.493 261 A N 0.792 123.595 122.820 -0.029 0.000 2.024 261 A HA -0.002 4.324 4.320 0.011 0.000 0.220 261 A C 2.148 179.797 177.584 0.108 0.000 1.164 261 A CA 2.400 54.495 52.037 0.096 0.000 0.643 261 A CB -1.665 17.364 19.000 0.049 0.000 0.806 261 A HN 1.439 nan 8.150 nan 0.000 0.451 262 T N -4.664 109.914 114.554 0.040 0.000 3.100 262 T HA 0.087 4.444 4.350 0.011 0.000 0.253 262 T C 0.605 175.322 174.700 0.027 0.000 1.118 262 T CA 1.178 63.313 62.100 0.058 0.000 1.058 262 T CB -0.223 68.659 68.868 0.022 0.000 0.953 262 T HN 0.130 nan 8.240 nan 0.000 0.515 263 T N 5.014 119.561 114.554 -0.011 0.000 3.368 263 T HA 0.366 4.722 4.350 0.011 0.000 0.321 263 T C -2.430 172.347 174.700 0.128 0.000 1.830 263 T CA -1.233 60.811 62.100 -0.093 0.000 1.494 263 T CB 1.081 69.787 68.868 -0.270 0.000 1.045 263 T HN 0.411 nan 8.240 nan 0.000 0.729 264 P HA 0.262 nan 4.420 nan 0.000 0.296 264 P C 0.756 178.183 177.300 0.211 0.000 1.295 264 P CA -0.426 62.852 63.100 0.295 0.000 0.754 264 P CB 1.055 33.074 31.700 0.532 0.000 1.311 265 I N -0.643 120.049 120.570 0.203 0.000 2.594 265 I HA -0.010 4.167 4.170 0.011 0.000 0.237 265 I C 2.342 178.438 176.117 -0.034 0.000 1.071 265 I CA 1.082 62.374 61.300 -0.013 0.000 1.427 265 I CB -1.621 36.365 38.000 -0.024 0.000 1.218 265 I HN 0.445 nan 8.210 nan 0.000 0.444 266 E N 1.015 121.426 120.200 0.353 0.000 2.501 266 E HA -0.162 4.195 4.350 0.011 0.000 0.203 266 E C 1.970 178.785 176.600 0.358 0.000 1.072 266 E CA 0.469 57.276 56.400 0.678 0.000 0.885 266 E CB 0.094 30.245 29.700 0.752 0.000 0.813 266 E HN 0.448 nan 8.360 nan 0.000 0.556 267 L N -1.256 119.922 121.223 -0.075 0.000 2.316 267 L HA 0.077 4.423 4.340 0.011 0.000 0.207 267 L C 1.026 177.456 176.870 -0.732 0.000 1.070 267 L CA 0.342 54.840 54.840 -0.569 0.000 0.820 267 L CB 0.183 41.632 42.059 -1.017 0.000 0.992 267 L HN 0.138 nan 8.230 nan 0.000 0.466 268 F N -0.609 119.295 119.950 -0.076 0.000 2.746 268 F HA 0.499 5.033 4.527 0.011 0.000 0.320 268 F C 1.161 176.757 175.800 -0.340 0.000 1.097 268 F CA 0.098 58.042 58.000 -0.094 0.000 1.195 268 F CB 0.458 39.366 39.000 -0.154 0.000 1.056 268 F HN 0.046 nan 8.300 nan 0.000 0.562 269 G N 0.754 109.116 108.800 -0.730 0.000 2.660 269 G HA2 -0.122 3.845 3.960 0.011 0.000 0.247 269 G HA3 -0.122 3.845 3.960 0.011 0.000 0.247 269 G C -3.062 171.261 174.900 -0.962 0.000 1.328 269 G CA -1.292 42.818 45.100 -1.650 0.000 0.884 269 G HN -0.034 nan 8.290 nan 0.000 0.531 270 P HA 0.540 nan 4.420 nan 0.000 0.293 270 P C 0.104 177.133 177.300 -0.452 0.000 1.304 270 P CA 0.461 63.239 63.100 -0.536 0.000 0.767 270 P CB 0.862 32.342 31.700 -0.367 0.000 1.247 271 T N -4.106 110.197 114.554 -0.418 0.000 2.907 271 T HA 0.400 4.757 4.350 0.011 0.000 0.292 271 T C 0.833 175.193 174.700 -0.566 0.000 1.043 271 T CA -0.816 60.970 62.100 -0.524 0.000 1.003 271 T CB 1.523 70.141 68.868 -0.416 0.000 1.084 271 T HN 0.307 nan 8.240 nan 0.000 0.483 272 R N 0.063 120.034 120.500 -0.881 0.000 2.193 272 R HA -0.062 4.284 4.340 0.011 0.000 0.229 272 R C 0.934 176.814 176.300 -0.700 0.000 1.110 272 R CA 1.246 56.880 56.100 -0.777 0.000 0.988 272 R CB -0.468 29.252 30.300 -0.967 0.000 0.871 272 R HN 0.833 nan 8.270 nan 0.000 0.458 273 Y N 0.208 120.284 120.300 -0.372 0.000 2.509 273 Y HA -0.059 4.497 4.550 0.011 0.000 0.293 273 Y C 2.055 177.805 175.900 -0.251 0.000 1.133 273 Y CA 0.854 58.780 58.100 -0.291 0.000 1.283 273 Y CB 0.176 38.426 38.460 -0.350 0.000 1.001 273 Y HN 0.186 nan 8.280 nan 0.000 0.555 274 Q N -1.337 118.331 119.800 -0.220 0.000 2.354 274 Q HA -0.132 4.215 4.340 0.011 0.000 0.203 274 Q C 1.893 177.852 176.000 -0.069 0.000 0.933 274 Q CA 0.468 56.119 55.803 -0.253 0.000 0.901 274 Q CB -0.176 28.263 28.738 -0.499 0.000 1.007 274 Q HN 0.670 nan 8.270 nan 0.000 0.495 275 W N 1.725 122.904 121.300 -0.202 0.000 2.481 275 W HA -0.089 4.578 4.660 0.011 0.000 0.293 275 W C 0.566 177.042 176.519 -0.073 0.000 1.201 275 W CA 0.883 58.161 57.345 -0.111 0.000 1.328 275 W CB 0.284 29.641 29.460 -0.171 0.000 1.112 275 W HN 0.102 nan 8.180 nan 0.000 0.546 276 D N -0.109 120.222 120.400 -0.115 0.000 2.269 276 D HA -0.133 4.513 4.640 0.011 0.000 0.208 276 D C 1.985 178.200 176.300 -0.141 0.000 0.963 276 D CA 1.149 55.059 54.000 -0.150 0.000 0.864 276 D CB -0.112 40.670 40.800 -0.030 0.000 0.936 276 D HN 0.047 nan 8.370 nan 0.000 0.505 277 S N -0.307 115.332 115.700 -0.103 0.000 2.548 277 S HA -0.016 4.461 4.470 0.011 0.000 0.215 277 S C 0.625 175.196 174.600 -0.047 0.000 0.976 277 S CA 0.063 58.234 58.200 -0.048 0.000 0.908 277 S CB -0.059 63.138 63.200 -0.005 0.000 0.781 277 S HN 0.018 nan 8.310 nan 0.000 0.519 278 S N 0.446 116.071 115.700 -0.125 0.000 3.549 278 S HA -0.228 4.249 4.470 0.011 0.000 0.366 278 S C 0.242 174.857 174.600 0.025 0.000 1.012 278 S CA 0.851 58.995 58.200 -0.093 0.000 1.141 278 S CB -2.137 61.002 63.200 -0.102 0.000 0.910 278 S HN 0.821 nan 8.310 nan 0.000 0.471 279 Y N 0.164 120.397 120.300 -0.112 0.000 2.293 279 Y HA 0.005 4.562 4.550 0.011 0.000 0.291 279 Y C 1.486 177.426 175.900 0.066 0.000 1.137 279 Y CA 1.660 59.702 58.100 -0.097 0.000 1.202 279 Y CB -0.191 38.093 38.460 -0.294 0.000 0.990 279 Y HN 0.534 nan 8.280 nan 0.000 0.537 280 F N -0.195 119.888 119.950 0.222 0.000 2.123 280 F HA -0.153 4.380 4.527 0.011 0.000 0.289 280 F C 2.707 178.523 175.800 0.027 0.000 1.099 280 F CA 0.970 59.064 58.000 0.157 0.000 1.234 280 F CB -0.621 38.561 39.000 0.303 0.000 1.034 280 F HN -0.070 nan 8.300 nan 0.000 0.479 281 Q N 0.684 120.646 119.800 0.269 0.000 2.224 281 Q HA -0.356 3.991 4.340 0.011 0.000 0.213 281 Q C 2.151 178.180 176.000 0.047 0.000 0.998 281 Q CA 2.128 58.021 55.803 0.150 0.000 0.895 281 Q CB -0.231 28.572 28.738 0.107 0.000 0.926 281 Q HN 0.500 nan 8.270 nan 0.000 0.417 282 Q N -0.205 119.598 119.800 0.005 0.000 1.967 282 Q HA -0.263 4.083 4.340 0.011 0.000 0.202 282 Q C 1.993 177.913 176.000 -0.133 0.000 0.985 282 Q CA 1.859 57.628 55.803 -0.057 0.000 0.839 282 Q CB -0.125 28.576 28.738 -0.062 0.000 0.906 282 Q HN 0.324 nan 8.270 nan 0.000 0.423 283 E N 0.683 120.736 120.200 -0.246 0.000 2.070 283 E HA -0.211 4.146 4.350 0.011 0.000 0.197 283 E C 1.762 178.160 176.600 -0.336 0.000 1.004 283 E CA 1.754 57.860 56.400 -0.490 0.000 0.805 283 E CB -0.531 28.391 29.700 -1.297 0.000 0.744 283 E HN 0.495 nan 8.360 nan 0.000 0.451 284 I N 0.795 121.231 120.570 -0.224 0.000 2.118 284 I HA -0.359 3.818 4.170 0.011 0.000 0.241 284 I C 2.668 178.637 176.117 -0.247 0.000 1.070 284 I CA 1.785 62.971 61.300 -0.190 0.000 1.327 284 I CB -0.578 37.390 38.000 -0.053 0.000 1.034 284 I HN 0.343 nan 8.210 nan 0.000 0.405 285 N N 1.134 119.730 118.700 -0.175 0.000 2.018 285 N HA -0.291 4.456 4.740 0.011 0.000 0.196 285 N C 2.143 177.535 175.510 -0.196 0.000 1.043 285 N CA 1.693 54.637 53.050 -0.177 0.000 0.856 285 N CB -0.121 38.319 38.487 -0.078 0.000 1.042 285 N HN 0.270 nan 8.380 nan 0.000 0.423 286 R N 0.998 121.401 120.500 -0.161 0.000 2.211 286 R HA -0.097 4.249 4.340 0.011 0.000 0.240 286 R C 1.542 177.741 176.300 -0.169 0.000 1.144 286 R CA 1.175 57.189 56.100 -0.142 0.000 0.992 286 R CB -0.182 30.047 30.300 -0.119 0.000 0.869 286 R HN 0.304 nan 8.270 nan 0.000 0.462 287 R N 0.118 120.484 120.500 -0.223 0.000 2.275 287 R HA 0.050 4.397 4.340 0.011 0.000 0.199 287 R C 1.710 177.849 176.300 -0.268 0.000 0.989 287 R CA 0.651 56.615 56.100 -0.226 0.000 1.016 287 R CB 0.373 30.526 30.300 -0.245 0.000 0.918 287 R HN 0.158 nan 8.270 nan 0.000 0.473 288 V N 0.200 119.918 119.914 -0.328 0.000 2.788 288 V HA -0.070 4.056 4.120 0.011 0.000 0.241 288 V C 2.094 178.058 176.094 -0.217 0.000 1.083 288 V CA 0.907 62.980 62.300 -0.379 0.000 1.103 288 V CB 0.045 31.493 31.823 -0.624 0.000 0.800 288 V HN 0.118 nan 8.190 nan 0.000 0.476 289 Q N 0.280 119.984 119.800 -0.161 0.000 2.224 289 Q HA -0.025 4.322 4.340 0.011 0.000 0.203 289 Q C 2.304 178.257 176.000 -0.078 0.000 0.970 289 Q CA 1.601 57.350 55.803 -0.091 0.000 0.865 289 Q CB -0.408 28.290 28.738 -0.065 0.000 0.922 289 Q HN 0.626 nan 8.270 nan 0.000 0.445 290 A N 0.302 123.065 122.820 -0.095 0.000 1.854 290 A HA -0.126 4.201 4.320 0.011 0.000 0.214 290 A C 2.346 179.889 177.584 -0.069 0.000 1.192 290 A CA 1.833 53.825 52.037 -0.074 0.000 0.611 290 A CB -0.698 18.254 19.000 -0.080 0.000 0.832 290 A HN 0.338 nan 8.150 nan 0.000 0.442 291 S N -0.954 114.691 115.700 -0.091 0.000 2.387 291 S HA -0.091 4.386 4.470 0.011 0.000 0.226 291 S C 1.939 176.504 174.600 -0.059 0.000 1.026 291 S CA 1.269 59.424 58.200 -0.076 0.000 0.972 291 S CB -0.467 62.674 63.200 -0.098 0.000 0.814 291 S HN 0.422 nan 8.310 nan 0.000 0.477 292 L N 2.214 123.395 121.223 -0.070 0.000 2.012 292 L HA 0.093 4.440 4.340 0.011 0.000 0.210 292 L C 2.429 179.288 176.870 -0.018 0.000 1.073 292 L CA 2.225 57.043 54.840 -0.036 0.000 0.748 292 L CB -1.142 40.896 42.059 -0.035 0.000 0.891 292 L HN 0.325 nan 8.230 nan 0.000 0.431 293 A N -2.023 120.782 122.820 -0.024 0.000 2.172 293 A HA -0.074 4.253 4.320 0.011 0.000 0.216 293 A C 2.099 179.676 177.584 -0.013 0.000 1.154 293 A CA 1.422 53.450 52.037 -0.014 0.000 0.701 293 A CB -0.602 18.387 19.000 -0.018 0.000 0.789 293 A HN 0.485 nan 8.150 nan 0.000 0.465 294 S N -1.031 114.659 115.700 -0.018 0.000 2.660 294 S HA 0.397 4.874 4.470 0.011 0.000 0.227 294 S C 1.089 175.684 174.600 -0.009 0.000 0.948 294 S CA 0.571 58.762 58.200 -0.015 0.000 0.948 294 S CB -0.080 63.107 63.200 -0.021 0.000 0.779 294 S HN 1.530 nan 8.310 nan 0.000 0.487 295 G N 1.082 109.880 108.800 -0.004 0.000 2.164 295 G HA2 -0.042 3.925 3.960 0.011 0.000 0.212 295 G HA3 -0.042 3.925 3.960 0.011 0.000 0.212 295 G C -0.058 174.845 174.900 0.005 0.000 1.031 295 G CA -0.114 44.987 45.100 0.002 0.000 0.730 295 G HN 0.786 nan 8.290 nan 0.000 0.501 296 A N -0.430 122.395 122.820 0.007 0.000 2.350 296 A HA 1.000 5.327 4.320 0.011 0.000 0.318 296 A C 0.500 178.105 177.584 0.035 0.000 1.132 296 A CA 0.399 52.445 52.037 0.015 0.000 0.811 296 A CB 1.124 20.127 19.000 0.005 0.000 1.313 296 A HN 1.640 nan 8.150 nan 0.000 0.454 297 T N -0.143 114.442 114.554 0.050 0.000 2.909 297 T HA 0.469 4.826 4.350 0.011 0.000 0.286 297 T C 1.321 176.110 174.700 0.149 0.000 1.002 297 T CA -0.650 61.499 62.100 0.081 0.000 1.074 297 T CB 0.519 69.420 68.868 0.055 0.000 0.984 297 T HN 0.443 nan 8.240 nan 0.000 0.495 298 L N 0.722 122.085 121.223 0.234 0.000 2.010 298 L HA -0.261 4.086 4.340 0.011 0.000 0.219 298 L C 2.811 180.001 176.870 0.534 0.000 1.077 298 L CA 1.925 57.020 54.840 0.425 0.000 0.773 298 L CB -0.909 41.516 42.059 0.611 0.000 0.892 298 L HN 0.723 nan 8.230 nan 0.000 0.436 299 E N 0.174 120.592 120.200 0.363 0.000 2.086 299 E HA -0.254 4.103 4.350 0.011 0.000 0.200 299 E C 2.079 178.819 176.600 0.235 0.000 1.012 299 E CA 1.637 58.172 56.400 0.224 0.000 0.812 299 E CB -0.220 29.455 29.700 -0.043 0.000 0.743 299 E HN 0.497 nan 8.360 nan 0.000 0.453 300 E N 0.102 120.391 120.200 0.149 0.000 2.051 300 E HA -0.204 4.153 4.350 0.011 0.000 0.192 300 E C 2.125 178.782 176.600 0.095 0.000 0.991 300 E CA 0.916 57.377 56.400 0.101 0.000 0.799 300 E CB -0.210 29.523 29.700 0.055 0.000 0.748 300 E HN 0.300 nan 8.360 nan 0.000 0.449 301 A N 1.020 123.883 122.820 0.071 0.000 1.851 301 A HA -0.211 4.116 4.320 0.011 0.000 0.216 301 A C 1.835 179.353 177.584 -0.110 0.000 1.195 301 A CA 1.642 53.635 52.037 -0.073 0.000 0.622 301 A CB -1.263 17.622 19.000 -0.193 0.000 0.831 301 A HN 0.355 nan 8.150 nan 0.000 0.444 302 W N 0.393 121.725 121.300 0.054 0.000 2.317 302 W HA -0.148 4.519 4.660 0.011 0.000 0.318 302 W C 2.682 179.227 176.519 0.045 0.000 1.227 302 W CA 1.689 59.062 57.345 0.047 0.000 1.269 302 W CB -0.835 28.691 29.460 0.109 0.000 1.155 302 W HN 0.238 nan 8.180 nan 0.000 0.484 303 S N -0.035 115.845 115.700 0.299 0.000 2.520 303 S HA -0.118 4.359 4.470 0.011 0.000 0.249 303 S C 1.692 176.352 174.600 0.099 0.000 0.983 303 S CA 1.018 59.328 58.200 0.184 0.000 0.958 303 S CB -0.567 62.722 63.200 0.148 0.000 0.750 303 S HN 0.327 nan 8.310 nan 0.000 0.527 304 A N 1.848 124.703 122.820 0.059 0.000 1.881 304 A HA 0.303 4.630 4.320 0.011 0.000 0.210 304 A C 1.019 178.594 177.584 -0.015 0.000 1.239 304 A CA -0.110 51.931 52.037 0.005 0.000 0.629 304 A CB -0.644 18.337 19.000 -0.032 0.000 0.906 304 A HN 0.585 nan 8.150 nan 0.000 0.460 305 I N 0.212 120.751 120.570 -0.051 0.000 2.978 305 I HA 0.126 4.302 4.170 0.011 0.000 0.293 305 I C -2.613 173.492 176.117 -0.020 0.000 1.218 305 I CA -1.328 59.932 61.300 -0.067 0.000 1.393 305 I CB -0.533 37.398 38.000 -0.115 0.000 1.394 305 I HN -0.011 nan 8.210 nan 0.000 0.541 306 P HA -0.118 nan 4.420 nan 0.000 0.264 306 P C 0.578 177.878 177.300 0.001 0.000 1.173 306 P CA 0.332 63.427 63.100 -0.007 0.000 0.761 306 P CB 0.545 32.234 31.700 -0.019 0.000 0.794 307 E N 3.812 124.029 120.200 0.028 0.000 2.107 307 E HA -0.222 4.135 4.350 0.011 0.000 0.191 307 E C 1.618 178.270 176.600 0.086 0.000 0.982 307 E CA 0.757 57.190 56.400 0.056 0.000 0.809 307 E CB -0.427 29.316 29.700 0.071 0.000 0.756 307 E HN 0.338 nan 8.360 nan 0.000 0.459 308 K N 0.762 121.189 120.400 0.045 0.000 2.113 308 K HA -0.206 4.120 4.320 0.011 0.000 0.208 308 K C 2.207 178.693 176.600 -0.191 0.000 1.047 308 K CA 1.301 57.590 56.287 0.003 0.000 0.928 308 K CB -0.188 32.267 32.500 -0.075 0.000 0.716 308 K HN 0.202 nan 8.250 nan 0.000 0.446 309 L N 0.646 121.753 121.223 -0.192 0.000 2.042 309 L HA -0.132 4.215 4.340 0.011 0.000 0.210 309 L C 2.159 178.951 176.870 -0.130 0.000 1.076 309 L CA 2.086 56.775 54.840 -0.252 0.000 0.749 309 L CB -0.525 41.448 42.059 -0.143 0.000 0.893 309 L HN 0.230 nan 8.230 nan 0.000 0.432 310 A N -1.389 121.459 122.820 0.048 0.000 2.014 310 A HA -0.161 4.166 4.320 0.011 0.000 0.218 310 A C 2.340 180.203 177.584 0.465 0.000 1.163 310 A CA 1.301 53.451 52.037 0.189 0.000 0.652 310 A CB -0.976 18.097 19.000 0.121 0.000 0.808 310 A HN 0.573 nan 8.150 nan 0.000 0.449 311 F N -0.751 119.385 119.950 0.310 0.000 2.075 311 F HA -0.255 4.279 4.527 0.011 0.000 0.297 311 F C 2.192 178.181 175.800 0.316 0.000 1.113 311 F CA 1.338 59.550 58.000 0.353 0.000 1.218 311 F CB -0.264 38.862 39.000 0.211 0.000 0.984 311 F HN 0.349 nan 8.300 nan 0.000 0.472 312 Y N -0.269 120.098 120.300 0.112 0.000 2.332 312 Y HA -0.355 4.201 4.550 0.011 0.000 0.283 312 Y C 2.147 178.030 175.900 -0.029 0.000 1.186 312 Y CA 0.629 58.597 58.100 -0.218 0.000 1.266 312 Y CB -0.357 37.539 38.460 -0.939 0.000 0.973 312 Y HN 0.215 nan 8.280 nan 0.000 0.548 313 D N -0.381 120.204 120.400 0.309 0.000 2.289 313 D HA -0.142 4.504 4.640 0.011 0.000 0.207 313 D C 0.225 176.944 176.300 0.697 0.000 0.966 313 D CA 0.125 54.461 54.000 0.560 0.000 0.868 313 D CB -0.216 40.863 40.800 0.466 0.000 0.943 313 D HN 0.169 nan 8.370 nan 0.000 0.514 314 Y N 1.827 122.437 120.300 0.516 0.000 2.620 314 Y HA 0.004 4.561 4.550 0.011 0.000 0.330 314 Y C 1.339 177.300 175.900 0.101 0.000 1.186 314 Y CA -0.568 57.794 58.100 0.437 0.000 1.467 314 Y CB 0.192 38.936 38.460 0.473 0.000 1.262 314 Y HN -0.057 nan 8.280 nan 0.000 0.550 315 I N 4.644 125.075 120.570 -0.232 0.000 2.454 315 I HA -0.157 4.020 4.170 0.011 0.000 0.254 315 I C 1.985 177.331 176.117 -1.285 0.000 1.156 315 I CA 1.754 62.363 61.300 -1.151 0.000 1.433 315 I CB -0.447 36.752 38.000 -1.336 0.000 1.082 315 I HN 0.953 nan 8.210 nan 0.000 0.432 316 G N 0.691 108.465 108.800 -1.710 0.000 2.564 316 G HA2 -0.245 3.721 3.960 0.011 0.000 0.216 316 G HA3 -0.245 3.721 3.960 0.011 0.000 0.216 316 G C 1.154 175.531 174.900 -0.872 0.000 1.124 316 G CA 0.466 44.665 45.100 -1.502 0.000 0.764 316 G HN 0.443 nan 8.290 nan 0.000 0.550 317 N N -0.057 118.212 118.700 -0.719 0.000 2.230 317 N HA 0.016 4.763 4.740 0.011 0.000 0.202 317 N C -0.080 175.172 175.510 -0.431 0.000 1.119 317 N CA -0.105 52.701 53.050 -0.407 0.000 0.851 317 N CB 0.278 38.612 38.487 -0.256 0.000 0.990 317 N HN 0.525 nan 8.380 nan 0.000 0.497 318 N N 1.569 119.922 118.700 -0.577 0.000 2.408 318 N HA 0.218 4.965 4.740 0.011 0.000 0.280 318 N C -2.637 172.551 175.510 -0.537 0.000 1.002 318 N CA -1.661 51.059 53.050 -0.549 0.000 0.907 318 N CB 1.722 39.810 38.487 -0.665 0.000 1.161 318 N HN -0.179 nan 8.380 nan 0.000 0.488 319 P HA -0.053 nan 4.420 nan 0.000 0.243 319 P C -0.226 176.857 177.300 -0.362 0.000 1.134 319 P CA 0.260 63.144 63.100 -0.359 0.000 1.109 319 P CB 0.450 31.994 31.700 -0.261 0.000 1.140 320 A N 4.680 127.240 122.820 -0.433 0.000 1.878 320 A HA 0.059 4.386 4.320 0.011 0.000 0.215 320 A C 0.969 178.353 177.584 -0.333 0.000 1.310 320 A CA 1.164 52.936 52.037 -0.441 0.000 0.612 320 A CB -0.099 18.523 19.000 -0.631 0.000 0.989 320 A HN 0.460 nan 8.150 nan 0.000 0.472 321 K N -2.596 117.617 120.400 -0.312 0.000 2.480 321 K HA 0.511 4.838 4.320 0.011 0.000 0.258 321 K C -0.679 175.747 176.600 -0.290 0.000 0.990 321 K CA -0.168 55.974 56.287 -0.240 0.000 0.857 321 K CB 1.708 34.127 32.500 -0.134 0.000 1.384 321 K HN 1.121 nan 8.250 nan 0.000 0.446 322 G N 0.917 109.669 108.800 -0.080 0.000 2.511 322 G HA2 0.005 3.972 3.960 0.011 0.000 0.230 322 G HA3 0.005 3.972 3.960 0.011 0.000 0.230 322 G C 0.370 175.385 174.900 0.192 0.000 1.264 322 G CA -0.141 45.056 45.100 0.161 0.000 0.866 322 G HN 0.842 nan 8.290 nan 0.000 0.523 323 G N -0.091 108.771 108.800 0.103 0.000 2.433 323 G HA2 0.191 4.157 3.960 0.011 0.000 0.216 323 G HA3 0.191 4.157 3.960 0.011 0.000 0.216 323 G C 0.770 175.741 174.900 0.118 0.000 1.186 323 G CA 0.782 45.839 45.100 -0.070 0.000 0.779 323 G HN 0.711 nan 8.290 nan 0.000 0.543 324 L N -0.399 120.867 121.223 0.073 0.000 2.372 324 L HA 0.543 4.890 4.340 0.011 0.000 0.273 324 L C -1.478 175.256 176.870 -0.227 0.000 0.989 324 L CA -0.527 54.321 54.840 0.014 0.000 0.841 324 L CB 1.876 43.877 42.059 -0.096 0.000 1.225 324 L HN 0.058 nan 8.230 nan 0.000 0.414 325 F N 2.736 122.760 119.950 0.125 0.000 2.883 325 F HA 0.155 4.688 4.527 0.011 0.000 0.383 325 F C 0.901 176.743 175.800 0.070 0.000 1.342 325 F CA -0.967 57.092 58.000 0.098 0.000 1.150 325 F CB 0.469 39.553 39.000 0.141 0.000 2.189 325 F HN 0.479 nan 8.300 nan 0.000 0.593 326 R N -1.140 119.425 120.500 0.107 0.000 2.593 326 R HA -0.316 4.031 4.340 0.011 0.000 0.185 326 R C 1.343 177.650 176.300 0.011 0.000 0.915 326 R CA 2.656 58.772 56.100 0.026 0.000 0.597 326 R CB -2.107 28.193 30.300 -0.000 0.000 0.781 326 R HN 0.274 nan 8.270 nan 0.000 0.352 327 T N 0.005 114.581 114.554 0.036 0.000 2.946 327 T HA 0.015 4.371 4.350 0.011 0.000 0.271 327 T C 1.349 176.076 174.700 0.046 0.000 1.104 327 T CA 1.543 63.658 62.100 0.025 0.000 1.114 327 T CB -1.106 67.792 68.868 0.049 0.000 0.867 327 T HN 0.810 nan 8.240 nan 0.000 0.513 328 G N 3.291 112.171 108.800 0.133 0.000 2.485 328 G HA2 -0.244 3.723 3.960 0.011 0.000 0.315 328 G HA3 -0.244 3.723 3.960 0.011 0.000 0.315 328 G C -1.906 173.102 174.900 0.181 0.000 0.914 328 G CA 0.055 45.282 45.100 0.213 0.000 0.889 328 G HN 0.431 nan 8.290 nan 0.000 0.512 329 P HA 0.191 nan 4.420 nan 0.000 0.276 329 P C 1.415 178.780 177.300 0.109 0.000 1.244 329 P CA -0.719 62.453 63.100 0.120 0.000 0.801 329 P CB 0.722 32.471 31.700 0.080 0.000 1.006 330 M N 1.387 121.056 119.600 0.116 0.000 2.149 330 M HA -0.166 4.320 4.480 0.011 0.000 0.261 330 M C 1.511 177.850 176.300 0.066 0.000 1.064 330 M CA 2.033 57.386 55.300 0.089 0.000 1.102 330 M CB -1.352 31.316 32.600 0.114 0.000 1.369 330 M HN 0.437 nan 8.290 nan 0.000 0.408 331 N N 0.497 119.236 118.700 0.065 0.000 2.430 331 N HA -0.146 4.601 4.740 0.011 0.000 0.186 331 N C 1.394 176.923 175.510 0.031 0.000 1.032 331 N CA 0.629 53.711 53.050 0.055 0.000 0.893 331 N CB -0.105 38.409 38.487 0.044 0.000 0.957 331 N HN 0.333 nan 8.380 nan 0.000 0.442 332 K N 0.477 120.896 120.400 0.031 0.000 2.520 332 K HA 0.073 4.400 4.320 0.011 0.000 0.205 332 K C 0.922 177.520 176.600 -0.002 0.000 1.035 332 K CA -0.235 56.067 56.287 0.024 0.000 1.188 332 K CB 0.255 32.784 32.500 0.048 0.000 0.894 332 K HN 0.177 nan 8.250 nan 0.000 0.497 333 G N 0.341 109.124 108.800 -0.029 0.000 2.710 333 G HA2 -0.079 3.888 3.960 0.011 0.000 0.215 333 G HA3 -0.079 3.888 3.960 0.011 0.000 0.215 333 G C 0.772 175.570 174.900 -0.170 0.000 1.345 333 G CA -0.001 45.047 45.100 -0.087 0.000 0.812 333 G HN 0.255 nan 8.290 nan 0.000 0.606 334 D N 0.773 121.057 120.400 -0.192 0.000 2.103 334 D HA 0.257 4.904 4.640 0.011 0.000 0.199 334 D C 1.566 177.593 176.300 -0.455 0.000 0.978 334 D CA 1.453 55.120 54.000 -0.555 0.000 0.829 334 D CB 0.122 40.438 40.800 -0.807 0.000 0.981 334 D HN 0.689 nan 8.370 nan 0.000 0.464 335 G N 0.374 109.097 108.800 -0.129 0.000 2.280 335 G HA2 -0.027 3.940 3.960 0.011 0.000 0.277 335 G HA3 -0.027 3.940 3.960 0.011 0.000 0.277 335 G C -1.349 173.668 174.900 0.194 0.000 1.288 335 G CA -0.627 44.510 45.100 0.061 0.000 1.075 335 G HN 0.127 nan 8.290 nan 0.000 0.480 336 I N 2.015 122.720 120.570 0.225 0.000 2.325 336 I HA 0.536 4.713 4.170 0.011 0.000 0.291 336 I C 1.037 177.342 176.117 0.313 0.000 1.019 336 I CA -0.292 61.135 61.300 0.212 0.000 1.302 336 I CB 1.445 39.505 38.000 0.101 0.000 1.401 336 I HN 0.855 nan 8.210 nan 0.000 0.485 337 A N 6.886 129.916 122.820 0.350 0.000 2.401 337 A HA 0.530 4.857 4.320 0.011 0.000 0.259 337 A C -0.260 177.272 177.584 -0.086 0.000 1.103 337 A CA -0.182 51.902 52.037 0.078 0.000 0.789 337 A CB 0.324 19.330 19.000 0.009 0.000 1.035 337 A HN 0.783 nan 8.150 nan 0.000 0.491 338 Q N 0.827 120.520 119.800 -0.179 0.000 2.526 338 Q HA 0.559 4.905 4.340 0.011 0.000 0.238 338 Q C -0.516 175.438 176.000 -0.076 0.000 0.866 338 Q CA -0.056 55.698 55.803 -0.082 0.000 0.801 338 Q CB 1.812 30.525 28.738 -0.041 0.000 1.380 338 Q HN 1.109 nan 8.270 nan 0.000 0.446 339 A N 1.878 124.707 122.820 0.015 0.000 5.450 339 A HA 0.858 5.185 4.320 0.011 0.000 0.198 339 A C -2.024 175.630 177.584 0.117 0.000 0.883 339 A CA -0.543 51.550 52.037 0.094 0.000 0.784 339 A CB 0.912 19.975 19.000 0.105 0.000 2.043 339 A HN 0.599 nan 8.150 nan 0.000 0.994 340 W N 0.270 121.292 121.300 -0.464 0.000 3.032 340 W HA 0.603 5.269 4.660 0.011 0.000 0.341 340 W C -0.541 175.636 176.519 -0.571 0.000 1.202 340 W CA -0.795 56.310 57.345 -0.401 0.000 1.132 340 W CB 0.828 30.104 29.460 -0.307 0.000 1.465 340 W HN 0.798 nan 8.180 nan 0.000 0.576 341 K N 1.212 121.344 120.400 -0.447 0.000 3.226 341 K HA 0.366 4.692 4.320 0.011 0.000 0.268 341 K C 0.458 176.723 176.600 -0.559 0.000 1.217 341 K CA -0.159 55.876 56.287 -0.420 0.000 1.242 341 K CB -0.422 32.042 32.500 -0.060 0.000 1.389 341 K HN 0.553 nan 8.250 nan 0.000 0.406 342 G N 1.294 109.182 108.800 -1.520 0.000 2.361 342 G HA2 -0.021 3.945 3.960 0.011 0.000 0.260 342 G HA3 -0.021 3.945 3.960 0.011 0.000 0.260 342 G C -1.184 173.196 174.900 -0.866 0.000 1.261 342 G CA -0.223 43.778 45.100 -1.831 0.000 0.897 342 G HN 0.576 nan 8.290 nan 0.000 0.499 343 H N 1.554 120.241 119.070 -0.639 0.000 2.467 343 H HA 0.595 5.158 4.556 0.011 0.000 0.326 343 H C 0.034 175.184 175.328 -0.296 0.000 1.094 343 H CA -0.187 55.464 56.048 -0.661 0.000 1.253 343 H CB 1.474 30.201 29.762 -1.726 0.000 1.439 343 H HN 0.608 nan 8.280 nan 0.000 0.479 344 A N 5.165 127.729 122.820 -0.426 0.000 2.260 344 A HA 0.496 4.823 4.320 0.011 0.000 0.308 344 A C -0.838 176.446 177.584 -0.501 0.000 1.254 344 A CA -0.704 51.183 52.037 -0.250 0.000 0.874 344 A CB 0.279 19.382 19.000 0.173 0.000 1.153 344 A HN 0.531 nan 8.150 nan 0.000 0.527 345 V N 3.336 122.900 119.914 -0.584 0.000 2.333 345 V HA 0.319 4.446 4.120 0.011 0.000 0.274 345 V C -0.957 174.887 176.094 -0.417 0.000 1.028 345 V CA -0.180 61.842 62.300 -0.465 0.000 0.851 345 V CB 0.128 31.614 31.823 -0.561 0.000 1.000 345 V HN 0.652 nan 8.190 nan 0.000 0.456 346 F N 5.009 124.723 119.950 -0.394 0.000 2.334 346 F HA 0.579 5.113 4.527 0.011 0.000 0.367 346 F C 0.909 176.547 175.800 -0.270 0.000 1.115 346 F CA -0.562 57.263 58.000 -0.293 0.000 1.116 346 F CB 0.659 39.520 39.000 -0.230 0.000 1.230 346 F HN 0.380 nan 8.300 nan 0.000 0.484 347 R N 1.273 121.702 120.500 -0.119 0.000 2.691 347 R HA 0.421 4.768 4.340 0.011 0.000 0.259 347 R C -0.058 176.198 176.300 -0.074 0.000 1.048 347 R CA -1.133 54.907 56.100 -0.099 0.000 1.086 347 R CB 1.108 31.347 30.300 -0.101 0.000 1.166 347 R HN 0.405 nan 8.270 nan 0.000 0.526 348 N N 0.638 119.303 118.700 -0.058 0.000 2.681 348 N HA 0.072 4.819 4.740 0.011 0.000 0.311 348 N C 0.428 175.915 175.510 -0.037 0.000 1.303 348 N CA -0.350 52.669 53.050 -0.052 0.000 0.926 348 N CB 0.981 39.443 38.487 -0.042 0.000 1.136 348 N HN 0.494 nan 8.380 nan 0.000 0.592 349 K N -0.113 120.270 120.400 -0.027 0.000 2.288 349 K HA -0.001 4.325 4.320 0.011 0.000 0.201 349 K C 0.187 176.781 176.600 -0.011 0.000 1.048 349 K CA 1.225 57.502 56.287 -0.016 0.000 0.956 349 K CB 0.155 32.650 32.500 -0.009 0.000 0.746 349 K HN 0.404 nan 8.250 nan 0.000 0.461 350 E N -1.056 119.139 120.200 -0.009 0.000 2.474 350 E HA 0.150 4.507 4.350 0.011 0.000 0.195 350 E C 0.627 177.226 176.600 -0.002 0.000 1.039 350 E CA 0.530 56.929 56.400 -0.002 0.000 0.881 350 E CB 1.118 30.820 29.700 0.003 0.000 0.970 350 E HN 0.492 nan 8.360 nan 0.000 0.486 351 G N 0.794 109.588 108.800 -0.009 0.000 2.195 351 G HA2 -0.310 3.657 3.960 0.011 0.000 0.246 351 G HA3 -0.310 3.657 3.960 0.011 0.000 0.246 351 G C 0.043 174.939 174.900 -0.007 0.000 0.984 351 G CA -0.126 44.969 45.100 -0.009 0.000 0.633 351 G HN 0.300 nan 8.290 nan 0.000 0.525 352 E N 0.882 121.081 120.200 -0.001 0.000 2.413 352 E HA 0.284 4.641 4.350 0.011 0.000 0.263 352 E C 0.281 176.875 176.600 -0.010 0.000 1.015 352 E CA 0.004 56.412 56.400 0.014 0.000 0.916 352 E CB 0.588 30.303 29.700 0.024 0.000 0.947 352 E HN 0.438 nan 8.360 nan 0.000 0.440 353 E N 3.501 123.703 120.200 0.003 0.000 2.152 353 E HA 0.122 4.479 4.350 0.011 0.000 0.285 353 E C -0.799 175.707 176.600 -0.157 0.000 1.043 353 E CA -0.318 56.011 56.400 -0.118 0.000 0.839 353 E CB 0.484 30.098 29.700 -0.143 0.000 1.069 353 E HN 0.334 nan 8.360 nan 0.000 0.399 354 L N 4.478 125.571 121.223 -0.217 0.000 2.375 354 L HA 0.387 4.734 4.340 0.011 0.000 0.271 354 L C -0.554 176.090 176.870 -0.376 0.000 1.107 354 L CA -0.585 54.178 54.840 -0.129 0.000 0.806 354 L CB 0.587 42.596 42.059 -0.083 0.000 1.146 354 L HN 0.511 nan 8.230 nan 0.000 0.447 355 F N 1.298 121.221 119.950 -0.045 0.000 2.507 355 F HA 0.433 4.967 4.527 0.011 0.000 0.325 355 F C 0.129 175.872 175.800 -0.095 0.000 1.116 355 F CA -0.703 57.269 58.000 -0.046 0.000 0.930 355 F CB 1.793 40.789 39.000 -0.007 0.000 1.146 355 F HN 0.028 nan 8.300 nan 0.000 0.447 356 V N 4.069 123.976 119.914 -0.013 0.000 2.686 356 V HA 0.513 4.640 4.120 0.011 0.000 0.295 356 V C -0.210 175.922 176.094 0.064 0.000 1.057 356 V CA -0.545 61.714 62.300 -0.068 0.000 1.012 356 V CB 1.421 33.093 31.823 -0.251 0.000 1.006 356 V HN 0.775 nan 8.190 nan 0.000 0.477 357 R N 5.395 125.952 120.500 0.095 0.000 2.357 357 R HA 0.419 4.766 4.340 0.011 0.000 0.296 357 R C 0.066 176.502 176.300 0.228 0.000 1.052 357 R CA -0.025 56.173 56.100 0.163 0.000 0.988 357 R CB 0.621 31.047 30.300 0.209 0.000 1.025 357 R HN 0.785 nan 8.270 nan 0.000 0.469 358 R N 3.219 123.815 120.500 0.160 0.000 2.543 358 R HA 0.254 4.601 4.340 0.011 0.000 0.268 358 R C -0.082 176.203 176.300 -0.024 0.000 1.067 358 R CA -0.736 55.462 56.100 0.163 0.000 1.142 358 R CB 0.924 31.282 30.300 0.097 0.000 1.110 358 R HN 0.572 nan 8.270 nan 0.000 0.549 359 M N 2.825 122.436 119.600 0.017 0.000 2.108 359 M HA 0.296 4.783 4.480 0.011 0.000 0.354 359 M C -2.306 173.953 176.300 -0.069 0.000 1.229 359 M CA -1.742 53.308 55.300 -0.417 0.000 1.081 359 M CB 1.376 33.984 32.600 0.013 0.000 1.606 359 M HN 0.160 nan 8.290 nan 0.000 0.467 360 P HA 0.179 nan 4.420 nan 0.000 0.276 360 P C -0.223 177.234 177.300 0.261 0.000 1.243 360 P CA -0.077 63.139 63.100 0.193 0.000 0.768 360 P CB 0.969 32.822 31.700 0.254 0.000 0.856 361 A N 2.789 125.750 122.820 0.234 0.000 2.255 361 A HA -0.217 4.110 4.320 0.011 0.000 0.218 361 A C 1.617 179.184 177.584 -0.029 0.000 1.175 361 A CA 1.331 53.340 52.037 -0.047 0.000 0.682 361 A CB -1.566 17.344 19.000 -0.151 0.000 0.784 361 A HN 0.562 nan 8.150 nan 0.000 0.482 362 F N -1.419 118.540 119.950 0.015 0.000 2.270 362 F HA 0.200 4.733 4.527 0.011 0.000 0.295 362 F C 0.447 176.160 175.800 -0.145 0.000 1.087 362 F CA 0.343 58.288 58.000 -0.092 0.000 1.365 362 F CB 0.101 39.012 39.000 -0.148 0.000 1.056 362 F HN 0.144 nan 8.300 nan 0.000 0.506 363 F N 0.816 120.889 119.950 0.205 0.000 2.389 363 F HA 0.164 4.698 4.527 0.011 0.000 0.337 363 F C 1.517 177.381 175.800 0.107 0.000 1.112 363 F CA -0.468 57.639 58.000 0.179 0.000 1.192 363 F CB 0.478 39.613 39.000 0.226 0.000 1.185 363 F HN -0.127 nan 8.300 nan 0.000 0.552 364 E N 0.398 120.778 120.200 0.300 0.000 2.385 364 E HA 0.023 4.379 4.350 0.011 0.000 0.194 364 E C -0.086 176.675 176.600 0.269 0.000 1.013 364 E CA 0.447 56.974 56.400 0.211 0.000 0.866 364 E CB 0.265 30.057 29.700 0.154 0.000 0.832 364 E HN 0.520 nan 8.360 nan 0.000 0.500 365 S N -0.337 115.578 115.700 0.359 0.000 2.536 365 S HA 0.596 5.073 4.470 0.011 0.000 0.271 365 S C -1.014 173.853 174.600 0.445 0.000 1.134 365 S CA -0.912 57.502 58.200 0.357 0.000 0.897 365 S CB 1.582 64.943 63.200 0.268 0.000 1.094 365 S HN 0.000 nan 8.310 nan 0.000 0.473 366 F N 1.650 121.699 119.950 0.165 0.000 2.577 366 F HA 0.768 5.302 4.527 0.011 0.000 0.318 366 F C -2.725 173.109 175.800 0.056 0.000 1.065 366 F CA -1.936 56.090 58.000 0.043 0.000 0.929 366 F CB 1.743 40.777 39.000 0.056 0.000 1.237 366 F HN 0.468 nan 8.300 nan 0.000 0.468 367 P HA 0.337 nan 4.420 nan 0.000 0.288 367 P C -1.042 176.103 177.300 -0.258 0.000 1.363 367 P CA -0.351 62.558 63.100 -0.319 0.000 0.837 367 P CB 0.948 32.405 31.700 -0.404 0.000 0.981 368 V N 5.545 125.429 119.914 -0.050 0.000 2.506 368 V HA -0.068 4.059 4.120 0.011 0.000 0.296 368 V C 0.708 176.816 176.094 0.023 0.000 1.004 368 V CA 0.942 63.254 62.300 0.021 0.000 1.150 368 V CB -0.708 31.136 31.823 0.034 0.000 0.911 368 V HN 0.529 nan 8.190 nan 0.000 0.476 369 I N 5.879 126.457 120.570 0.013 0.000 2.722 369 I HA 0.530 4.707 4.170 0.011 0.000 0.295 369 I C -1.037 175.071 176.117 -0.015 0.000 1.161 369 I CA -0.732 60.566 61.300 -0.003 0.000 1.032 369 I CB 2.007 39.967 38.000 -0.065 0.000 1.244 369 I HN 0.415 nan 8.210 nan 0.000 0.421 370 L N 6.295 127.484 121.223 -0.058 0.000 2.333 370 L HA 0.565 4.912 4.340 0.011 0.000 0.280 370 L C -0.455 176.360 176.870 -0.092 0.000 1.004 370 L CA -0.454 54.325 54.840 -0.102 0.000 0.820 370 L CB 1.928 43.877 42.059 -0.185 0.000 1.247 370 L HN 0.536 nan 8.230 nan 0.000 0.416 371 T N 0.252 114.793 114.554 -0.021 0.000 2.950 371 T HA 0.292 4.648 4.350 0.011 0.000 0.288 371 T C -0.575 174.177 174.700 0.086 0.000 1.035 371 T CA -0.537 61.566 62.100 0.005 0.000 1.028 371 T CB 2.256 71.142 68.868 0.029 0.000 1.109 371 T HN 0.650 nan 8.240 nan 0.000 0.514 372 D N -0.443 119.993 120.400 0.060 0.000 2.432 372 D HA 0.223 4.870 4.640 0.011 0.000 0.258 372 D C 1.232 177.600 176.300 0.113 0.000 1.146 372 D CA -0.715 53.359 54.000 0.125 0.000 1.015 372 D CB 0.819 41.646 40.800 0.045 0.000 1.107 372 D HN 0.508 nan 8.370 nan 0.000 0.529 373 K N 0.282 120.752 120.400 0.117 0.000 2.515 373 K HA -0.056 4.271 4.320 0.011 0.000 0.196 373 K C 0.712 177.187 176.600 -0.209 0.000 1.038 373 K CA 1.001 57.130 56.287 -0.262 0.000 0.967 373 K CB -0.326 32.109 32.500 -0.108 0.000 0.780 373 K HN 0.323 nan 8.250 nan 0.000 0.483 374 N N -0.238 118.409 118.700 -0.089 0.000 2.282 374 N HA 0.072 4.818 4.740 0.011 0.000 0.185 374 N C 0.503 175.975 175.510 -0.064 0.000 1.099 374 N CA 0.320 53.327 53.050 -0.072 0.000 0.878 374 N CB 1.155 39.621 38.487 -0.034 0.000 0.993 374 N HN 0.415 nan 8.380 nan 0.000 0.481 375 G N 0.158 108.922 108.800 -0.059 0.000 2.205 375 G HA2 -0.207 3.760 3.960 0.011 0.000 0.180 375 G HA3 -0.207 3.760 3.960 0.011 0.000 0.180 375 G C -0.011 174.869 174.900 -0.034 0.000 1.004 375 G CA -0.170 44.903 45.100 -0.045 0.000 0.670 375 G HN 0.083 nan 8.290 nan 0.000 0.496 376 V N 0.721 120.616 119.914 -0.031 0.000 3.051 376 V HA 0.522 4.649 4.120 0.011 0.000 0.306 376 V C 1.101 177.146 176.094 -0.081 0.000 1.083 376 V CA -0.533 61.743 62.300 -0.040 0.000 1.104 376 V CB 1.707 33.514 31.823 -0.025 0.000 1.027 376 V HN 0.324 nan 8.190 nan 0.000 0.483 377 V N 3.577 123.404 119.914 -0.145 0.000 2.370 377 V HA 0.420 4.547 4.120 0.011 0.000 0.279 377 V C 0.561 176.391 176.094 -0.440 0.000 1.029 377 V CA -0.531 61.598 62.300 -0.285 0.000 0.870 377 V CB 1.137 32.745 31.823 -0.357 0.000 0.984 377 V HN 0.878 nan 8.190 nan 0.000 0.451 378 K N 2.803 122.985 120.400 -0.362 0.000 2.309 378 K HA 0.518 4.845 4.320 0.011 0.000 0.210 378 K C 0.554 176.957 176.600 -0.329 0.000 1.114 378 K CA 0.823 56.925 56.287 -0.308 0.000 0.912 378 K CB 0.614 33.017 32.500 -0.163 0.000 1.198 378 K HN 0.680 nan 8.250 nan 0.000 0.471 379 A N 2.239 124.882 122.820 -0.295 0.000 2.384 379 A HA 0.610 4.936 4.320 0.011 0.000 0.312 379 A C -1.173 176.353 177.584 -0.097 0.000 1.113 379 A CA -0.479 51.401 52.037 -0.262 0.000 0.779 379 A CB 1.194 19.821 19.000 -0.621 0.000 1.307 379 A HN 0.361 nan 8.150 nan 0.000 0.436 380 D N -0.575 119.903 120.400 0.130 0.000 2.639 380 D HA 0.300 4.947 4.640 0.011 0.000 0.271 380 D C -1.447 175.060 176.300 0.344 0.000 1.254 380 D CA -0.317 53.809 54.000 0.211 0.000 0.810 380 D CB 1.017 41.892 40.800 0.124 0.000 1.351 380 D HN 0.335 nan 8.370 nan 0.000 0.427 381 I N 1.551 122.245 120.570 0.207 0.000 2.442 381 I HA 0.180 4.357 4.170 0.011 0.000 0.279 381 I C -1.981 174.204 176.117 0.113 0.000 1.081 381 I CA -1.632 59.740 61.300 0.121 0.000 1.197 381 I CB 1.188 39.181 38.000 -0.011 0.000 1.394 381 I HN 0.092 nan 8.210 nan 0.000 0.488 382 P HA -0.158 nan 4.420 nan 0.000 0.267 382 P C 0.059 177.443 177.300 0.140 0.000 1.175 382 P CA 0.470 63.651 63.100 0.135 0.000 0.763 382 P CB 1.156 32.922 31.700 0.110 0.000 0.795 383 F N 2.244 122.208 119.950 0.023 0.000 2.399 383 F HA 0.187 4.721 4.527 0.011 0.000 0.282 383 F C 1.549 177.358 175.800 0.015 0.000 1.027 383 F CA 0.444 58.452 58.000 0.014 0.000 1.333 383 F CB 0.358 39.365 39.000 0.012 0.000 1.132 383 F HN 0.094 nan 8.300 nan 0.000 0.590 384 R N 2.183 122.824 120.500 0.235 0.000 2.593 384 R HA 0.203 4.550 4.340 0.011 0.000 0.282 384 R C 0.968 177.305 176.300 0.061 0.000 1.300 384 R CA -0.285 55.888 56.100 0.122 0.000 1.221 384 R CB 0.360 30.747 30.300 0.145 0.000 1.157 384 R HN 0.334 nan 8.270 nan 0.000 0.555 385 R N 1.259 121.767 120.500 0.014 0.000 2.193 385 R HA -0.146 4.201 4.340 0.011 0.000 0.229 385 R C 1.809 178.118 176.300 0.015 0.000 1.110 385 R CA 1.251 57.359 56.100 0.013 0.000 0.988 385 R CB -0.287 30.005 30.300 -0.013 0.000 0.871 385 R HN 0.459 nan 8.270 nan 0.000 0.458 386 A N 2.030 124.858 122.820 0.013 0.000 1.842 386 A HA -0.204 4.122 4.320 0.011 0.000 0.217 386 A C 1.619 179.209 177.584 0.010 0.000 1.206 386 A CA 1.305 53.348 52.037 0.011 0.000 0.630 386 A CB -0.408 18.600 19.000 0.012 0.000 0.839 386 A HN 0.313 nan 8.150 nan 0.000 0.447 387 E N 0.469 120.678 120.200 0.014 0.000 2.304 387 E HA 0.200 4.557 4.350 0.011 0.000 0.212 387 E C -0.148 176.451 176.600 -0.001 0.000 1.185 387 E CA -0.322 56.080 56.400 0.003 0.000 1.326 387 E CB -0.109 29.593 29.700 0.004 0.000 1.283 387 E HN 0.432 nan 8.360 nan 0.000 0.440 388 S N 0.118 115.824 115.700 0.010 0.000 2.576 388 S HA 0.117 4.593 4.470 0.011 0.000 0.276 388 S C 0.801 175.388 174.600 -0.020 0.000 1.339 388 S CA 0.123 58.333 58.200 0.017 0.000 1.039 388 S CB 0.803 64.030 63.200 0.045 0.000 0.902 388 S HN 0.289 nan 8.310 nan 0.000 0.516 389 K N 2.252 122.618 120.400 -0.057 0.000 2.585 389 K HA 0.138 4.464 4.320 0.011 0.000 0.210 389 K C 0.150 176.687 176.600 -0.106 0.000 1.504 389 K CA 0.186 56.380 56.287 -0.155 0.000 1.029 389 K CB 0.403 32.694 32.500 -0.347 0.000 1.332 389 K HN 0.730 nan 8.250 nan 0.000 0.569 390 Y N 2.416 122.736 120.300 0.033 0.000 2.658 390 Y HA 0.130 4.687 4.550 0.011 0.000 0.276 390 Y C 0.711 176.644 175.900 0.056 0.000 1.167 390 Y CA -0.925 57.191 58.100 0.028 0.000 1.230 390 Y CB 0.518 38.991 38.460 0.022 0.000 1.144 390 Y HN -0.021 nan 8.280 nan 0.000 0.529 391 S N -0.596 115.231 115.700 0.212 0.000 2.587 391 S HA -0.175 4.301 4.470 0.011 0.000 0.257 391 S C 0.649 175.403 174.600 0.256 0.000 1.397 391 S CA -0.045 58.289 58.200 0.222 0.000 0.983 391 S CB 0.228 63.520 63.200 0.153 0.000 0.885 391 S HN 0.310 nan 8.310 nan 0.000 0.556 392 F N 0.788 120.777 119.950 0.065 0.000 2.387 392 F HA 0.199 4.733 4.527 0.011 0.000 0.294 392 F C 2.322 178.154 175.800 0.053 0.000 1.093 392 F CA 0.707 58.743 58.000 0.061 0.000 1.420 392 F CB -0.387 38.650 39.000 0.061 0.000 1.086 392 F HN 0.522 nan 8.300 nan 0.000 0.531 393 E N -0.598 119.744 120.200 0.235 0.000 2.122 393 E HA -0.158 4.199 4.350 0.011 0.000 0.190 393 E C 1.948 178.603 176.600 0.091 0.000 0.977 393 E CA 0.598 57.081 56.400 0.138 0.000 0.820 393 E CB -0.261 29.502 29.700 0.104 0.000 0.770 393 E HN 0.174 nan 8.360 nan 0.000 0.462 394 Q N 0.467 120.321 119.800 0.090 0.000 2.167 394 Q HA -0.044 4.302 4.340 0.011 0.000 0.202 394 Q C 1.484 177.514 176.000 0.051 0.000 0.970 394 Q CA 1.449 57.290 55.803 0.062 0.000 0.855 394 Q CB 0.210 28.985 28.738 0.062 0.000 0.911 394 Q HN 0.232 nan 8.270 nan 0.000 0.438 395 Q N -1.180 118.649 119.800 0.049 0.000 2.281 395 Q HA 0.228 4.574 4.340 0.011 0.000 0.215 395 Q C -0.199 175.798 176.000 -0.004 0.000 0.867 395 Q CA 0.305 56.118 55.803 0.018 0.000 0.940 395 Q CB 0.862 29.602 28.738 0.004 0.000 1.111 395 Q HN 0.442 nan 8.270 nan 0.000 0.513 396 G N 1.890 110.701 108.800 0.018 0.000 2.402 396 G HA2 -0.212 3.755 3.960 0.011 0.000 0.206 396 G HA3 -0.212 3.755 3.960 0.011 0.000 0.206 396 G C -0.163 174.727 174.900 -0.017 0.000 0.637 396 G CA 0.038 45.151 45.100 0.021 0.000 0.974 396 G HN 0.124 nan 8.290 nan 0.000 0.308 397 V N 2.160 122.068 119.914 -0.011 0.000 3.211 397 V HA 0.965 5.091 4.120 0.011 0.000 0.319 397 V C 0.781 176.877 176.094 0.004 0.000 1.096 397 V CA 0.018 62.289 62.300 -0.049 0.000 1.029 397 V CB 2.165 33.900 31.823 -0.146 0.000 1.137 397 V HN 1.138 nan 8.190 nan 0.000 0.453 398 T N 0.494 115.015 114.554 -0.055 0.000 3.041 398 T HA 0.571 4.928 4.350 0.011 0.000 0.321 398 T C -1.591 172.916 174.700 -0.322 0.000 1.184 398 T CA -0.266 61.765 62.100 -0.116 0.000 1.050 398 T CB 1.504 70.315 68.868 -0.095 0.000 1.159 398 T HN 0.421 nan 8.240 nan 0.000 0.469 399 V N 3.718 123.367 119.914 -0.442 0.000 2.483 399 V HA 0.755 4.882 4.120 0.011 0.000 0.295 399 V C -0.094 175.605 176.094 -0.658 0.000 1.035 399 V CA -0.609 61.153 62.300 -0.898 0.000 0.896 399 V CB 1.917 33.032 31.823 -1.180 0.000 0.986 399 V HN 0.965 nan 8.190 nan 0.000 0.447 400 S N 4.166 119.451 115.700 -0.691 0.000 2.733 400 S HA 0.614 5.091 4.470 0.011 0.000 0.294 400 S C -0.963 173.484 174.600 -0.254 0.000 1.149 400 S CA -0.362 57.650 58.200 -0.313 0.000 1.034 400 S CB 0.775 63.970 63.200 -0.009 0.000 1.015 400 S HN 0.447 nan 8.310 nan 0.000 0.486 401 F N 3.512 123.530 119.950 0.112 0.000 2.375 401 F HA 0.355 4.889 4.527 0.011 0.000 0.362 401 F C -0.330 175.686 175.800 0.360 0.000 1.129 401 F CA -0.845 57.260 58.000 0.175 0.000 1.154 401 F CB 0.214 39.322 39.000 0.180 0.000 1.205 401 F HN 0.491 nan 8.300 nan 0.000 0.513 402 Y N 2.377 122.732 120.300 0.092 0.000 2.931 402 Y HA 0.610 5.167 4.550 0.011 0.000 0.330 402 Y C 0.604 176.539 175.900 0.058 0.000 1.115 402 Y CA -1.500 56.634 58.100 0.056 0.000 1.283 402 Y CB 0.725 39.174 38.460 -0.019 0.000 1.215 402 Y HN 0.588 nan 8.280 nan 0.000 0.534 403 G N -0.361 108.696 108.800 0.427 0.000 3.086 403 G HA2 0.548 4.515 3.960 0.011 0.000 0.282 403 G HA3 0.548 4.515 3.960 0.011 0.000 0.282 403 G C 0.047 175.199 174.900 0.419 0.000 1.343 403 G CA -0.585 44.753 45.100 0.395 0.000 0.895 403 G HN 0.620 nan 8.290 nan 0.000 0.557 404 G N -0.815 108.203 108.800 0.364 0.000 2.670 404 G HA2 0.243 4.209 3.960 0.011 0.000 0.233 404 G HA3 0.243 4.209 3.960 0.011 0.000 0.233 404 G C 0.847 175.913 174.900 0.277 0.000 1.251 404 G CA 0.634 45.900 45.100 0.277 0.000 0.849 404 G HN 0.576 nan 8.290 nan 0.000 0.588 405 E N -0.101 120.184 120.200 0.142 0.000 2.181 405 E HA -0.284 4.073 4.350 0.011 0.000 0.225 405 E C 2.436 179.013 176.600 -0.037 0.000 1.073 405 E CA 1.625 58.057 56.400 0.052 0.000 0.916 405 E CB -0.499 29.217 29.700 0.026 0.000 0.793 405 E HN 0.418 nan 8.360 nan 0.000 0.472 406 L N -0.027 121.150 121.223 -0.076 0.000 2.151 406 L HA -0.202 4.145 4.340 0.011 0.000 0.215 406 L C 0.367 176.847 176.870 -0.651 0.000 1.084 406 L CA 1.624 56.246 54.840 -0.364 0.000 0.764 406 L CB -0.055 41.701 42.059 -0.506 0.000 0.891 406 L HN 0.101 nan 8.230 nan 0.000 0.435 407 N N -0.859 117.402 118.700 -0.732 0.000 2.710 407 N HA 0.283 5.030 4.740 0.011 0.000 0.244 407 N C -0.361 175.037 175.510 -0.186 0.000 1.321 407 N CA 0.347 52.952 53.050 -0.741 0.000 0.758 407 N CB 0.879 38.337 38.487 -1.715 0.000 1.284 407 N HN 0.041 nan 8.380 nan 0.000 0.530 408 G N 1.624 110.391 108.800 -0.056 0.000 3.964 408 G HA2 0.359 4.326 3.960 0.011 0.000 0.289 408 G HA3 0.359 4.326 3.960 0.011 0.000 0.289 408 G C 0.092 174.985 174.900 -0.010 0.000 1.176 408 G CA -0.106 45.015 45.100 0.034 0.000 1.553 408 G HN 0.456 nan 8.290 nan 0.000 0.588 409 Q N -0.144 119.691 119.800 0.057 0.000 3.224 409 Q HA 0.719 5.066 4.340 0.011 0.000 0.357 409 Q C -0.926 175.066 176.000 -0.013 0.000 0.848 409 Q CA -0.902 54.884 55.803 -0.029 0.000 0.841 409 Q CB 1.249 29.930 28.738 -0.096 0.000 1.776 409 Q HN 0.128 nan 8.270 nan 0.000 0.406 410 T N 0.157 114.597 114.554 -0.189 0.000 2.923 410 T HA 0.682 5.039 4.350 0.011 0.000 0.311 410 T C -1.631 172.754 174.700 -0.526 0.000 1.183 410 T CA -0.541 61.437 62.100 -0.203 0.000 1.020 410 T CB 0.939 69.710 68.868 -0.163 0.000 1.165 410 T HN 0.316 nan 8.240 nan 0.000 0.482 411 F N 0.161 119.998 119.950 -0.188 0.000 2.576 411 F HA 0.622 5.155 4.527 0.011 0.000 0.313 411 F C 1.124 176.854 175.800 -0.117 0.000 1.078 411 F CA -0.735 57.184 58.000 -0.135 0.000 0.921 411 F CB 2.556 41.468 39.000 -0.146 0.000 1.232 411 F HN 0.599 nan 8.300 nan 0.000 0.459 412 T N -1.756 112.858 114.554 0.099 0.000 3.174 412 T HA 0.052 4.409 4.350 0.011 0.000 0.252 412 T C -0.354 174.400 174.700 0.091 0.000 0.984 412 T CA -0.089 62.045 62.100 0.057 0.000 1.113 412 T CB 0.009 68.883 68.868 0.011 0.000 1.088 412 T HN 0.396 nan 8.240 nan 0.000 0.442 413 D N 3.161 123.625 120.400 0.107 0.000 2.629 413 D HA -0.022 4.625 4.640 0.011 0.000 0.228 413 D C -1.473 174.892 176.300 0.109 0.000 1.127 413 D CA -0.694 53.365 54.000 0.097 0.000 0.855 413 D CB 0.843 41.703 40.800 0.102 0.000 1.180 413 D HN 0.192 nan 8.370 nan 0.000 0.484 414 P HA -0.046 nan 4.420 nan 0.000 0.222 414 P C -1.643 175.684 177.300 0.046 0.000 1.153 414 P CA 0.811 63.974 63.100 0.105 0.000 0.798 414 P CB -0.277 31.483 31.700 0.099 0.000 0.796 415 P HA -0.047 nan 4.420 nan 0.000 0.217 415 P C 1.748 179.045 177.300 -0.005 0.000 1.154 415 P CA 1.663 64.758 63.100 -0.007 0.000 0.841 415 P CB -0.598 31.103 31.700 0.001 0.000 0.788 416 T N -0.215 114.370 114.554 0.051 0.000 2.639 416 T HA -0.100 4.256 4.350 0.011 0.000 0.261 416 T C 1.913 176.695 174.700 0.137 0.000 1.053 416 T CA 1.308 63.455 62.100 0.077 0.000 1.158 416 T CB -1.267 67.708 68.868 0.179 0.000 0.863 416 T HN -0.192 nan 8.240 nan 0.000 0.413 417 V N 1.926 121.948 119.914 0.179 0.000 2.277 417 V HA -0.333 3.794 4.120 0.011 0.000 0.253 417 V C 2.517 178.756 176.094 0.241 0.000 1.067 417 V CA 1.925 64.358 62.300 0.220 0.000 1.047 417 V CB -0.620 31.337 31.823 0.224 0.000 0.649 417 V HN 0.497 nan 8.190 nan 0.000 0.447 418 K N -0.296 120.122 120.400 0.030 0.000 2.020 418 K HA -0.238 4.089 4.320 0.011 0.000 0.212 418 K C 2.462 179.019 176.600 -0.072 0.000 1.050 418 K CA 1.830 57.997 56.287 -0.200 0.000 0.929 418 K CB -0.602 31.687 32.500 -0.352 0.000 0.714 418 K HN 0.437 nan 8.250 nan 0.000 0.443 419 S N 0.415 116.055 115.700 -0.100 0.000 2.390 419 S HA -0.265 4.212 4.470 0.011 0.000 0.234 419 S C 1.957 176.474 174.600 -0.139 0.000 1.063 419 S CA 1.780 59.869 58.200 -0.185 0.000 1.108 419 S CB -0.511 62.484 63.200 -0.342 0.000 0.975 419 S HN 0.343 nan 8.310 nan 0.000 0.442 420 Y N 1.704 122.040 120.300 0.061 0.000 2.207 420 Y HA -0.094 4.463 4.550 0.011 0.000 0.287 420 Y C 2.792 178.817 175.900 0.209 0.000 1.156 420 Y CA 0.861 59.064 58.100 0.171 0.000 1.182 420 Y CB -0.868 37.751 38.460 0.265 0.000 0.979 420 Y HN 0.404 nan 8.280 nan 0.000 0.521 421 A N 0.960 124.004 122.820 0.374 0.000 1.903 421 A HA -0.314 4.013 4.320 0.011 0.000 0.219 421 A C 2.232 179.837 177.584 0.034 0.000 1.191 421 A CA 2.440 54.569 52.037 0.154 0.000 0.638 421 A CB -0.677 18.414 19.000 0.152 0.000 0.823 421 A HN 0.524 nan 8.150 nan 0.000 0.451 422 R N -0.674 119.814 120.500 -0.020 0.000 2.073 422 R HA -0.015 4.331 4.340 0.011 0.000 0.229 422 R C 1.690 177.788 176.300 -0.336 0.000 1.120 422 R CA 1.185 57.214 56.100 -0.118 0.000 0.967 422 R CB -0.287 29.934 30.300 -0.132 0.000 0.862 422 R HN 0.262 nan 8.270 nan 0.000 0.436 423 K N 0.791 121.040 120.400 -0.251 0.000 2.504 423 K HA 0.079 4.405 4.320 0.011 0.000 0.195 423 K C 1.752 178.331 176.600 -0.034 0.000 1.036 423 K CA 0.909 57.019 56.287 -0.294 0.000 0.984 423 K CB 0.122 32.583 32.500 -0.067 0.000 0.788 423 K HN 0.216 nan 8.250 nan 0.000 0.488 424 A N 1.307 124.166 122.820 0.065 0.000 1.878 424 A HA 0.023 4.349 4.320 0.011 0.000 0.213 424 A C 2.105 179.811 177.584 0.204 0.000 1.192 424 A CA 0.389 52.522 52.037 0.160 0.000 0.619 424 A CB -0.380 18.667 19.000 0.079 0.000 0.837 424 A HN 0.150 nan 8.150 nan 0.000 0.446 425 I N -0.437 120.232 120.570 0.166 0.000 2.479 425 I HA -0.288 3.889 4.170 0.011 0.000 0.258 425 I C 1.370 177.881 176.117 0.656 0.000 1.165 425 I CA 1.299 62.809 61.300 0.350 0.000 1.422 425 I CB -0.351 37.867 38.000 0.363 0.000 1.087 425 I HN 0.384 nan 8.210 nan 0.000 0.441 426 F N 0.234 120.405 119.950 0.368 0.000 2.773 426 F HA 0.190 4.723 4.527 0.011 0.000 0.304 426 F C 1.732 177.865 175.800 0.556 0.000 1.129 426 F CA -0.031 58.232 58.000 0.439 0.000 1.378 426 F CB 0.070 39.397 39.000 0.545 0.000 1.095 426 F HN 0.278 nan 8.300 nan 0.000 0.565 427 G N 0.601 109.813 108.800 0.686 0.000 2.848 427 G HA2 -0.209 3.758 3.960 0.011 0.000 0.246 427 G HA3 -0.209 3.758 3.960 0.011 0.000 0.246 427 G C -0.255 174.919 174.900 0.456 0.000 1.374 427 G CA -0.692 44.777 45.100 0.614 0.000 0.982 427 G HN 0.098 nan 8.290 nan 0.000 0.563 428 E N 0.817 121.308 120.200 0.485 0.000 2.374 428 E HA 0.581 4.938 4.350 0.011 0.000 0.260 428 E C 0.301 177.017 176.600 0.192 0.000 1.101 428 E CA -0.107 56.449 56.400 0.259 0.000 0.907 428 E CB 0.866 30.744 29.700 0.296 0.000 1.014 428 E HN 0.504 nan 8.360 nan 0.000 0.427 429 I N 1.844 122.295 120.570 -0.199 0.000 2.404 429 I HA 0.363 4.540 4.170 0.011 0.000 0.293 429 I C -0.262 175.581 176.117 -0.456 0.000 0.992 429 I CA -0.450 60.779 61.300 -0.119 0.000 1.149 429 I CB 0.712 38.729 38.000 0.029 0.000 1.315 429 I HN 0.254 nan 8.210 nan 0.000 0.446 430 F N 2.680 122.497 119.950 -0.221 0.000 2.664 430 F HA 0.488 5.022 4.527 0.011 0.000 0.329 430 F C -0.075 175.464 175.800 -0.435 0.000 1.090 430 F CA -0.765 56.987 58.000 -0.414 0.000 0.978 430 F CB 1.791 40.286 39.000 -0.841 0.000 1.378 430 F HN 0.357 nan 8.300 nan 0.000 0.495 431 E N 0.901 120.874 120.200 -0.379 0.000 2.210 431 E HA 0.560 4.916 4.350 0.011 0.000 0.266 431 E C -1.998 174.268 176.600 -0.557 0.000 0.883 431 E CA -0.454 55.766 56.400 -0.300 0.000 0.761 431 E CB 1.179 30.807 29.700 -0.120 0.000 1.156 431 E HN 0.369 nan 8.360 nan 0.000 0.412 432 F N 1.998 121.982 119.950 0.055 0.000 2.532 432 F HA 0.225 4.759 4.527 0.011 0.000 0.321 432 F C 0.519 176.337 175.800 0.030 0.000 1.089 432 F CA -1.102 56.926 58.000 0.047 0.000 0.926 432 F CB 1.499 40.537 39.000 0.063 0.000 1.168 432 F HN 0.396 nan 8.300 nan 0.000 0.459 433 D N 1.964 122.481 120.400 0.195 0.000 2.885 433 D HA 0.009 4.656 4.640 0.011 0.000 0.234 433 D C 1.204 177.569 176.300 0.110 0.000 1.129 433 D CA 0.350 54.416 54.000 0.111 0.000 0.991 433 D CB 0.080 40.921 40.800 0.068 0.000 1.137 433 D HN 0.604 nan 8.370 nan 0.000 0.459 434 T N 0.614 115.244 114.554 0.126 0.000 2.653 434 T HA -0.235 4.122 4.350 0.011 0.000 0.267 434 T C 1.552 176.281 174.700 0.048 0.000 1.037 434 T CA 1.203 63.352 62.100 0.081 0.000 1.159 434 T CB 0.054 68.963 68.868 0.069 0.000 0.859 434 T HN 0.428 nan 8.240 nan 0.000 0.449 435 E N 0.857 121.082 120.200 0.040 0.000 2.209 435 E HA -0.110 4.247 4.350 0.011 0.000 0.196 435 E C 2.369 178.980 176.600 0.020 0.000 0.993 435 E CA 1.321 57.736 56.400 0.025 0.000 0.819 435 E CB -0.709 29.003 29.700 0.020 0.000 0.745 435 E HN 0.587 nan 8.360 nan 0.000 0.477 436 T N 1.082 115.649 114.554 0.022 0.000 2.881 436 T HA -0.066 4.290 4.350 0.011 0.000 0.270 436 T C 1.788 176.493 174.700 0.009 0.000 1.068 436 T CA 0.844 62.951 62.100 0.012 0.000 1.131 436 T CB 0.026 68.899 68.868 0.010 0.000 0.871 436 T HN 0.149 nan 8.240 nan 0.000 0.479 437 L N 0.109 121.341 121.223 0.015 0.000 3.135 437 L HA 0.379 4.726 4.340 0.011 0.000 0.279 437 L C 0.464 177.344 176.870 0.016 0.000 1.200 437 L CA -0.301 54.547 54.840 0.013 0.000 1.016 437 L CB -0.289 41.779 42.059 0.015 0.000 1.391 437 L HN 0.262 nan 8.230 nan 0.000 0.588 438 N N 1.814 120.523 118.700 0.016 0.000 2.671 438 N HA -0.189 4.558 4.740 0.011 0.000 0.261 438 N C 0.102 175.622 175.510 0.017 0.000 1.053 438 N CA 0.334 53.394 53.050 0.015 0.000 0.732 438 N CB -0.068 38.427 38.487 0.014 0.000 0.887 438 N HN 0.322 nan 8.380 nan 0.000 0.546 439 S N 0.175 115.883 115.700 0.015 0.000 2.572 439 S HA 0.065 4.541 4.470 0.011 0.000 0.279 439 S C 0.936 175.537 174.600 0.002 0.000 1.341 439 S CA -0.231 57.974 58.200 0.007 0.000 1.043 439 S CB 0.847 64.043 63.200 -0.006 0.000 0.887 439 S HN 0.324 nan 8.310 nan 0.000 0.516 440 D N 2.319 122.721 120.400 0.003 0.000 2.346 440 D HA 0.174 4.821 4.640 0.011 0.000 0.206 440 D C 1.366 177.651 176.300 -0.026 0.000 1.001 440 D CA 1.010 55.013 54.000 0.004 0.000 0.871 440 D CB 0.013 40.833 40.800 0.033 0.000 0.943 440 D HN 0.919 nan 8.370 nan 0.000 0.518 441 G N 1.175 109.936 108.800 -0.065 0.000 2.141 441 G HA2 -0.246 3.721 3.960 0.011 0.000 0.231 441 G HA3 -0.246 3.721 3.960 0.011 0.000 0.231 441 G C 0.237 175.005 174.900 -0.221 0.000 0.984 441 G CA -0.207 44.816 45.100 -0.130 0.000 0.660 441 G HN 0.311 nan 8.290 nan 0.000 0.525 442 I N 0.477 120.942 120.570 -0.175 0.000 2.460 442 I HA 0.510 4.687 4.170 0.011 0.000 0.298 442 I C 0.853 176.793 176.117 -0.295 0.000 0.989 442 I CA -1.211 59.959 61.300 -0.216 0.000 1.173 442 I CB 1.080 39.095 38.000 0.024 0.000 1.338 442 I HN 0.003 nan 8.210 nan 0.000 0.456 443 F N 4.690 124.510 119.950 -0.217 0.000 2.545 443 F HA 0.249 4.782 4.527 0.011 0.000 0.348 443 F C 1.019 176.515 175.800 -0.507 0.000 1.163 443 F CA 0.135 57.939 58.000 -0.327 0.000 1.331 443 F CB 0.463 39.253 39.000 -0.351 0.000 1.138 443 F HN 0.364 nan 8.300 nan 0.000 0.602 444 R N 0.198 120.601 120.500 -0.162 0.000 2.885 444 R HA 0.533 4.879 4.340 0.011 0.000 0.260 444 R C -1.200 174.989 176.300 -0.185 0.000 1.107 444 R CA -1.021 54.908 56.100 -0.285 0.000 0.978 444 R CB 1.822 32.055 30.300 -0.112 0.000 1.227 444 R HN 0.461 nan 8.270 nan 0.000 0.473 445 T N 0.866 115.360 114.554 -0.100 0.000 2.888 445 T HA 0.270 4.627 4.350 0.011 0.000 0.284 445 T C 0.246 174.981 174.700 0.060 0.000 1.017 445 T CA -0.721 61.290 62.100 -0.148 0.000 1.022 445 T CB 1.573 70.170 68.868 -0.451 0.000 1.013 445 T HN 0.649 nan 8.240 nan 0.000 0.465 446 S N 2.254 117.962 115.700 0.014 0.000 2.600 446 S HA 0.201 4.678 4.470 0.011 0.000 0.265 446 S C -1.910 172.872 174.600 0.303 0.000 1.325 446 S CA -1.093 57.204 58.200 0.162 0.000 1.002 446 S CB 0.145 63.367 63.200 0.037 0.000 0.921 446 S HN 0.360 nan 8.310 nan 0.000 0.554 447 P HA -0.057 nan 4.420 nan 0.000 0.221 447 P C 1.438 179.030 177.300 0.487 0.000 1.145 447 P CA 0.978 64.395 63.100 0.529 0.000 0.795 447 P CB 0.067 32.120 31.700 0.588 0.000 0.775 448 R N -0.827 119.862 120.500 0.315 0.000 2.070 448 R HA -0.056 4.291 4.340 0.011 0.000 0.233 448 R C 2.513 178.997 176.300 0.306 0.000 1.137 448 R CA 1.785 58.023 56.100 0.229 0.000 0.945 448 R CB -1.495 28.834 30.300 0.050 0.000 0.845 448 R HN 0.237 nan 8.270 nan 0.000 0.430 449 G N 0.105 109.022 108.800 0.195 0.000 2.421 449 G HA2 -0.258 3.709 3.960 0.011 0.000 0.216 449 G HA3 -0.258 3.709 3.960 0.011 0.000 0.216 449 G C 1.083 176.002 174.900 0.032 0.000 1.171 449 G CA 0.552 45.725 45.100 0.121 0.000 0.775 449 G HN 0.401 nan 8.290 nan 0.000 0.543 450 W N -0.359 121.041 121.300 0.166 0.000 2.358 450 W HA 0.024 4.691 4.660 0.012 0.000 0.303 450 W C 2.189 178.740 176.519 0.054 0.000 1.208 450 W CA 0.330 57.730 57.345 0.091 0.000 1.274 450 W CB -0.371 29.100 29.460 0.019 0.000 1.138 450 W HN 0.176 nan 8.180 nan 0.000 0.515 451 F N 0.902 121.001 119.950 0.248 0.000 2.234 451 F HA -0.172 4.362 4.527 0.011 0.000 0.299 451 F C 2.162 178.019 175.800 0.095 0.000 1.087 451 F CA 1.947 60.051 58.000 0.173 0.000 1.340 451 F CB -0.672 38.559 39.000 0.385 0.000 1.031 451 F HN -0.327 nan 8.300 nan 0.000 0.500 452 T N 0.431 115.236 114.554 0.419 0.000 2.735 452 T HA -0.140 4.217 4.350 0.011 0.000 0.256 452 T C 1.643 176.336 174.700 -0.012 0.000 1.042 452 T CA 1.294 63.535 62.100 0.234 0.000 1.147 452 T CB -0.815 68.169 68.868 0.194 0.000 0.865 452 T HN 0.331 nan 8.240 nan 0.000 0.421 453 F N 2.702 122.551 119.950 -0.168 0.000 2.147 453 F HA -0.132 4.402 4.527 0.011 0.000 0.301 453 F C 2.271 177.895 175.800 -0.292 0.000 1.084 453 F CA 0.927 58.781 58.000 -0.243 0.000 1.268 453 F CB -0.862 37.997 39.000 -0.234 0.000 1.009 453 F HN 0.142 nan 8.300 nan 0.000 0.486 454 A N -0.346 122.150 122.820 -0.540 0.000 1.832 454 A HA -0.190 4.136 4.320 0.011 0.000 0.214 454 A C 2.059 179.137 177.584 -0.843 0.000 1.200 454 A CA 1.756 53.244 52.037 -0.914 0.000 0.610 454 A CB -1.519 17.003 19.000 -0.797 0.000 0.842 454 A HN 0.617 nan 8.150 nan 0.000 0.444 455 H N -0.832 117.922 119.070 -0.527 0.000 2.489 455 H HA 0.053 4.615 4.556 0.011 0.000 0.293 455 H C 2.282 177.349 175.328 -0.436 0.000 1.066 455 H CA 0.587 56.396 56.048 -0.398 0.000 1.305 455 H CB 0.088 29.573 29.762 -0.462 0.000 1.386 455 H HN 0.561 nan 8.280 nan 0.000 0.551 456 A N 0.203 122.797 122.820 -0.376 0.000 1.878 456 A HA -0.056 4.271 4.320 0.011 0.000 0.213 456 A C 2.508 179.777 177.584 -0.524 0.000 1.192 456 A CA 0.787 52.478 52.037 -0.576 0.000 0.619 456 A CB -0.552 18.192 19.000 -0.428 0.000 0.837 456 A HN 0.183 nan 8.150 nan 0.000 0.446 457 V N -0.579 119.059 119.914 -0.459 0.000 2.255 457 V HA -0.282 3.845 4.120 0.011 0.000 0.247 457 V C 2.331 178.356 176.094 -0.114 0.000 1.051 457 V CA 2.146 64.236 62.300 -0.350 0.000 1.018 457 V CB -1.065 30.398 31.823 -0.600 0.000 0.641 457 V HN 0.627 nan 8.190 nan 0.000 0.445 458 F N 0.339 120.158 119.950 -0.218 0.000 2.063 458 F HA -0.321 4.213 4.527 0.011 0.000 0.298 458 F C 2.559 178.390 175.800 0.053 0.000 1.109 458 F CA 1.189 59.155 58.000 -0.057 0.000 1.212 458 F CB -0.500 38.407 39.000 -0.155 0.000 0.973 458 F HN 0.187 nan 8.300 nan 0.000 0.480 459 A N 0.152 122.978 122.820 0.011 0.000 1.883 459 A HA -0.243 4.084 4.320 0.011 0.000 0.217 459 A C 1.982 179.723 177.584 0.263 0.000 1.186 459 A CA 1.745 53.743 52.037 -0.065 0.000 0.624 459 A CB -1.126 17.447 19.000 -0.711 0.000 0.822 459 A HN 0.387 nan 8.150 nan 0.000 0.444 460 L N -0.954 120.331 121.223 0.103 0.000 2.042 460 L HA -0.144 4.203 4.340 0.011 0.000 0.210 460 L C 2.202 179.358 176.870 0.477 0.000 1.076 460 L CA 1.972 57.035 54.840 0.372 0.000 0.749 460 L CB -0.522 41.645 42.059 0.179 0.000 0.893 460 L HN 0.310 nan 8.230 nan 0.000 0.432 461 L N -1.564 119.896 121.223 0.395 0.000 2.191 461 L HA -0.126 4.221 4.340 0.011 0.000 0.212 461 L C 1.783 178.946 176.870 0.489 0.000 1.103 461 L CA 1.492 56.571 54.840 0.399 0.000 0.769 461 L CB -0.564 41.711 42.059 0.360 0.000 0.908 461 L HN 0.219 nan 8.230 nan 0.000 0.438 462 F N -2.447 117.754 119.950 0.417 0.000 2.797 462 F HA -0.022 4.512 4.527 0.011 0.000 0.302 462 F C 1.936 178.093 175.800 0.595 0.000 1.130 462 F CA 0.067 58.331 58.000 0.440 0.000 1.387 462 F CB -0.524 38.711 39.000 0.392 0.000 1.107 462 F HN 0.093 nan 8.300 nan 0.000 0.577 463 F N -0.570 119.814 119.950 0.723 0.000 2.163 463 F HA -0.171 4.363 4.527 0.011 0.000 0.297 463 F C 2.223 178.200 175.800 0.296 0.000 1.094 463 F CA 1.200 59.522 58.000 0.537 0.000 1.290 463 F CB -0.679 38.727 39.000 0.677 0.000 1.017 463 F HN 0.000 nan 8.300 nan 0.000 0.483 464 F N 1.123 121.160 119.950 0.145 0.000 2.102 464 F HA 0.041 4.574 4.527 0.011 0.000 0.298 464 F C 2.462 178.176 175.800 -0.144 0.000 1.105 464 F CA 1.772 59.716 58.000 -0.092 0.000 1.239 464 F CB -1.186 37.792 39.000 -0.037 0.000 0.991 464 F HN -0.003 nan 8.300 nan 0.000 0.474 465 G N -1.292 107.477 108.800 -0.052 0.000 2.469 465 G HA2 -0.398 3.569 3.960 0.011 0.000 0.220 465 G HA3 -0.398 3.569 3.960 0.011 0.000 0.220 465 G C 1.537 176.369 174.900 -0.113 0.000 1.136 465 G CA 1.407 46.403 45.100 -0.173 0.000 0.759 465 G HN 0.563 nan 8.290 nan 0.000 0.562 466 H N 0.601 119.576 119.070 -0.158 0.000 2.363 466 H HA 0.145 4.708 4.556 0.011 0.000 0.301 466 H C 2.347 177.495 175.328 -0.300 0.000 1.074 466 H CA 1.244 57.172 56.048 -0.200 0.000 1.354 466 H CB -0.237 29.355 29.762 -0.284 0.000 1.397 466 H HN 0.341 nan 8.280 nan 0.000 0.516 467 I N -0.383 119.726 120.570 -0.767 0.000 2.617 467 I HA -0.172 4.005 4.170 0.011 0.000 0.256 467 I C 2.409 178.191 176.117 -0.558 0.000 1.167 467 I CA 0.527 61.361 61.300 -0.776 0.000 1.469 467 I CB -0.329 37.232 38.000 -0.731 0.000 1.098 467 I HN 0.461 nan 8.210 nan 0.000 0.436 468 W N 2.156 122.939 121.300 -0.862 0.000 2.381 468 W HA -0.212 4.454 4.660 0.011 0.000 0.321 468 W C 2.524 178.681 176.519 -0.603 0.000 1.196 468 W CA 1.354 58.173 57.345 -0.876 0.000 1.304 468 W CB -0.471 28.266 29.460 -1.205 0.000 1.166 468 W HN 0.149 nan 8.180 nan 0.000 0.473 469 H N 0.203 119.019 119.070 -0.423 0.000 2.457 469 H HA -0.084 4.478 4.556 0.011 0.000 0.297 469 H C 2.356 177.452 175.328 -0.387 0.000 1.092 469 H CA 1.468 57.236 56.048 -0.467 0.000 1.309 469 H CB -1.118 28.521 29.762 -0.205 0.000 1.382 469 H HN 0.315 nan 8.280 nan 0.000 0.535 470 G N 0.533 109.160 108.800 -0.288 0.000 2.556 470 G HA2 -0.179 3.787 3.960 0.011 0.000 0.215 470 G HA3 -0.179 3.787 3.960 0.011 0.000 0.215 470 G C 2.019 176.763 174.900 -0.261 0.000 1.258 470 G CA 1.476 46.421 45.100 -0.258 0.000 0.811 470 G HN 0.497 nan 8.290 nan 0.000 0.557 471 A N 0.449 123.044 122.820 -0.374 0.000 1.917 471 A HA -0.149 4.178 4.320 0.011 0.000 0.219 471 A C 2.345 179.672 177.584 -0.429 0.000 1.182 471 A CA 2.111 53.876 52.037 -0.453 0.000 0.633 471 A CB -0.532 18.086 19.000 -0.636 0.000 0.819 471 A HN 0.369 nan 8.150 nan 0.000 0.448 472 R N -0.929 119.232 120.500 -0.566 0.000 2.193 472 R HA -0.104 4.243 4.340 0.011 0.000 0.229 472 R C 1.808 178.009 176.300 -0.164 0.000 1.110 472 R CA 1.748 57.560 56.100 -0.481 0.000 0.988 472 R CB -0.392 29.395 30.300 -0.855 0.000 0.871 472 R HN 0.558 nan 8.270 nan 0.000 0.458 473 T N 1.046 115.516 114.554 -0.141 0.000 2.809 473 T HA 0.006 4.362 4.350 0.011 0.000 0.260 473 T C 1.557 176.267 174.700 0.016 0.000 1.039 473 T CA 0.862 62.925 62.100 -0.062 0.000 1.141 473 T CB 0.023 68.848 68.868 -0.072 0.000 0.869 473 T HN 0.197 nan 8.240 nan 0.000 0.437 474 L N -0.075 121.210 121.223 0.102 0.000 2.599 474 L HA 0.213 4.560 4.340 0.011 0.000 0.230 474 L C 0.329 177.350 176.870 0.251 0.000 1.141 474 L CA 0.507 55.448 54.840 0.169 0.000 0.877 474 L CB -0.183 41.995 42.059 0.200 0.000 1.009 474 L HN 0.191 nan 8.230 nan 0.000 0.447 475 F N -1.060 118.846 119.950 -0.075 0.000 2.835 475 F HA 0.299 4.832 4.527 0.011 0.000 0.342 475 F C 1.709 177.507 175.800 -0.004 0.000 1.202 475 F CA -0.946 57.029 58.000 -0.042 0.000 1.240 475 F CB -0.294 38.674 39.000 -0.054 0.000 1.005 475 F HN -0.168 nan 8.300 nan 0.000 0.507 476 R N 0.703 121.272 120.500 0.115 0.000 2.196 476 R HA -0.239 4.108 4.340 0.011 0.000 0.244 476 R C 1.367 177.706 176.300 0.065 0.000 1.121 476 R CA 2.502 58.627 56.100 0.042 0.000 0.930 476 R CB -0.367 29.915 30.300 -0.030 0.000 0.890 476 R HN 0.282 nan 8.270 nan 0.000 0.435 477 D N -0.185 120.238 120.400 0.037 0.000 2.218 477 D HA -0.111 4.536 4.640 0.011 0.000 0.204 477 D C 1.948 178.305 176.300 0.094 0.000 0.976 477 D CA 1.043 55.065 54.000 0.037 0.000 0.853 477 D CB -0.150 40.649 40.800 -0.001 0.000 0.939 477 D HN 0.140 nan 8.370 nan 0.000 0.481 478 V N 1.017 121.020 119.914 0.149 0.000 2.453 478 V HA -0.175 3.952 4.120 0.011 0.000 0.247 478 V C 2.140 178.373 176.094 0.231 0.000 1.048 478 V CA 1.004 63.423 62.300 0.199 0.000 1.049 478 V CB -0.654 31.386 31.823 0.362 0.000 0.672 478 V HN 0.134 nan 8.190 nan 0.000 0.457 479 F N 0.909 120.889 119.950 0.050 0.000 2.069 479 F HA -0.277 4.257 4.527 0.011 0.000 0.298 479 F C 2.695 178.504 175.800 0.015 0.000 1.113 479 F CA 1.799 59.801 58.000 0.003 0.000 1.214 479 F CB -0.140 38.835 39.000 -0.042 0.000 0.978 479 F HN 0.159 nan 8.300 nan 0.000 0.474 480 S N 0.187 116.113 115.700 0.377 0.000 2.493 480 S HA 0.166 4.643 4.470 0.011 0.000 0.243 480 S C 0.623 175.326 174.600 0.172 0.000 0.991 480 S CA 0.871 59.196 58.200 0.208 0.000 0.957 480 S CB -1.259 61.971 63.200 0.049 0.000 0.756 480 S HN 0.971 nan 8.310 nan 0.000 0.521 481 G N 0.000 108.901 108.800 0.168 0.000 5.446 481 G HA2 0.000 3.967 3.960 0.011 0.000 0.244 481 G HA3 0.000 3.967 3.960 0.011 0.000 0.244 481 G CA 0.000 45.164 45.100 0.107 0.000 0.502 481 G HN 0.000 nan 8.290 nan 0.000 0.925