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 2nro_1_A DATA FIRST_RESID 7 DATA SEQUENCE LMSLDTALNE MLSRVTPLTA QETLPLVQCF GRILASDVVS PLDVPGFDNS DATA SEQUENCE AMDGYAVRLA DIASGQPLPV AGKSFAGQPY HGEWPAGTCI RIMTGAPVPE DATA SEQUENCE GCEAVVMQEQ TEQMDNGVRF TAEVRSGQNI RRRGEDISAG AVVFPAGTRL DATA SEQUENCE TTAELPVIAS LGIAEVPVIR KVRVALFSTG DELQLPGQPL GDGQIYDTNR DATA SEQUENCE LAVHLMLEQL GCEVINLGII RDDPHALRAA FIEADSQADV VISSGGVSVG DATA SEQUENCE EADYTKTILE ELGEIAFWKL AIQPGKPFAF GKLSNSWFCG LPGNPVSATL DATA SEQUENCE TFYQLVQPLL AKLSGNTASG LPARQRVRTA SRLKKTPGRL DFQRGVLQRN DATA SEQUENCE ADGELEVTTT GHQGSHIFSS FSLGNCFIVL ERDRGNVEVG EWVEVEPFNA DATA SEQUENCE LFG 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.870 176.870 -0.001 0.000 1.165 7 L CA 0.000 54.856 54.840 0.026 0.000 0.813 7 L CB 0.000 42.083 42.059 0.040 0.000 0.961 8 M N 1.521 121.114 119.600 -0.012 0.000 2.233 8 M HA 0.407 4.881 4.480 -0.011 0.000 0.355 8 M C 0.332 176.584 176.300 -0.080 0.000 1.191 8 M CA -0.226 55.026 55.300 -0.079 0.000 1.101 8 M CB 1.468 33.972 32.600 -0.160 0.000 1.592 8 M HN 0.261 nan 8.290 nan 0.000 0.461 9 S N 5.031 120.671 115.700 -0.099 0.000 2.548 9 S HA 0.132 4.596 4.470 -0.011 0.000 0.277 9 S C 1.055 175.590 174.600 -0.109 0.000 1.315 9 S CA -0.811 57.341 58.200 -0.080 0.000 1.050 9 S CB 0.874 64.031 63.200 -0.072 0.000 0.918 9 S HN 1.009 nan 8.310 nan 0.000 0.497 10 L N 1.669 122.854 121.223 -0.062 0.000 2.021 10 L HA -0.206 4.127 4.340 -0.011 0.000 0.215 10 L C 2.356 179.163 176.870 -0.105 0.000 1.074 10 L CA 2.651 57.448 54.840 -0.072 0.000 0.760 10 L CB -0.703 41.363 42.059 0.011 0.000 0.889 10 L HN 1.010 nan 8.230 nan 0.000 0.433 11 D N -1.374 118.980 120.400 -0.078 0.000 2.123 11 D HA -0.201 4.432 4.640 -0.011 0.000 0.196 11 D C 1.884 178.108 176.300 -0.127 0.000 0.992 11 D CA 1.877 55.826 54.000 -0.084 0.000 0.833 11 D CB 0.178 40.943 40.800 -0.058 0.000 0.954 11 D HN 0.248 nan 8.370 nan 0.000 0.455 12 T N -0.483 113.980 114.554 -0.152 0.000 2.777 12 T HA -0.067 4.277 4.350 -0.011 0.000 0.266 12 T C 1.889 176.408 174.700 -0.301 0.000 1.040 12 T CA 1.290 63.273 62.100 -0.195 0.000 1.141 12 T CB -0.481 68.271 68.868 -0.194 0.000 0.868 12 T HN 0.293 nan 8.240 nan 0.000 0.444 13 A N 1.589 124.177 122.820 -0.387 0.000 1.845 13 A HA -0.002 4.312 4.320 -0.011 0.000 0.215 13 A C 2.294 179.681 177.584 -0.328 0.000 1.195 13 A CA 1.212 52.897 52.037 -0.587 0.000 0.616 13 A CB -1.107 17.629 19.000 -0.440 0.000 0.832 13 A HN 0.444 nan 8.150 nan 0.000 0.443 14 L N -0.242 120.847 121.223 -0.223 0.000 1.997 14 L HA -0.314 4.020 4.340 -0.011 0.000 0.216 14 L C 2.305 179.069 176.870 -0.177 0.000 1.074 14 L CA 2.498 57.224 54.840 -0.190 0.000 0.763 14 L CB -0.670 41.292 42.059 -0.161 0.000 0.890 14 L HN 0.571 nan 8.230 nan 0.000 0.434 15 N N -0.828 117.777 118.700 -0.158 0.000 2.166 15 N HA -0.260 4.473 4.740 -0.011 0.000 0.186 15 N C 1.731 177.173 175.510 -0.112 0.000 1.019 15 N CA 1.299 54.276 53.050 -0.122 0.000 0.856 15 N CB -0.001 38.425 38.487 -0.101 0.000 0.993 15 N HN 0.379 nan 8.380 nan 0.000 0.426 16 E N 0.549 120.670 120.200 -0.130 0.000 2.107 16 E HA -0.127 4.217 4.350 -0.011 0.000 0.191 16 E C 1.865 178.444 176.600 -0.036 0.000 0.982 16 E CA 0.767 57.131 56.400 -0.059 0.000 0.809 16 E CB 0.147 29.811 29.700 -0.060 0.000 0.756 16 E HN 0.331 nan 8.360 nan 0.000 0.459 17 M N 0.254 119.767 119.600 -0.144 0.000 2.086 17 M HA -0.182 4.291 4.480 -0.011 0.000 0.261 17 M C 2.296 178.426 176.300 -0.283 0.000 1.067 17 M CA 1.367 56.433 55.300 -0.390 0.000 1.116 17 M CB -0.211 31.976 32.600 -0.688 0.000 1.348 17 M HN 0.185 nan 8.290 nan 0.000 0.407 18 L N -0.217 120.875 121.223 -0.218 0.000 2.131 18 L HA -0.182 4.152 4.340 -0.011 0.000 0.210 18 L C 2.735 179.533 176.870 -0.119 0.000 1.092 18 L CA 1.522 56.257 54.840 -0.175 0.000 0.759 18 L CB -0.893 41.085 42.059 -0.136 0.000 0.903 18 L HN 0.451 nan 8.230 nan 0.000 0.435 19 S N -0.341 115.313 115.700 -0.076 0.000 2.474 19 S HA -0.094 4.369 4.470 -0.011 0.000 0.235 19 S C 1.922 176.531 174.600 0.016 0.000 0.997 19 S CA 0.336 58.522 58.200 -0.023 0.000 0.949 19 S CB -0.174 63.022 63.200 -0.007 0.000 0.766 19 S HN 0.406 nan 8.310 nan 0.000 0.517 20 R N 0.465 120.969 120.500 0.007 0.000 2.246 20 R HA 0.300 4.633 4.340 -0.011 0.000 0.199 20 R C 0.012 176.368 176.300 0.094 0.000 0.984 20 R CA 0.181 56.343 56.100 0.104 0.000 1.015 20 R CB -0.283 30.122 30.300 0.176 0.000 0.930 20 R HN 0.339 nan 8.270 nan 0.000 0.475 21 V N 1.892 121.748 119.914 -0.097 0.000 2.481 21 V HA 0.190 4.303 4.120 -0.011 0.000 0.286 21 V C 0.089 176.219 176.094 0.060 0.000 1.042 21 V CA -0.224 62.020 62.300 -0.094 0.000 0.928 21 V CB 1.964 33.561 31.823 -0.378 0.000 0.986 21 V HN 0.061 nan 8.190 nan 0.000 0.462 22 T N 6.856 121.514 114.554 0.173 0.000 2.770 22 T HA 0.418 4.761 4.350 -0.011 0.000 0.283 22 T C -2.559 172.205 174.700 0.106 0.000 0.988 22 T CA -1.062 61.117 62.100 0.130 0.000 0.957 22 T CB 1.514 70.476 68.868 0.157 0.000 0.930 22 T HN 0.437 nan 8.240 nan 0.000 0.443 23 P HA 0.149 nan 4.420 nan 0.000 0.268 23 P C -0.146 177.187 177.300 0.055 0.000 1.205 23 P CA -0.727 62.400 63.100 0.044 0.000 0.771 23 P CB 0.388 32.100 31.700 0.021 0.000 0.858 24 L N 2.484 123.739 121.223 0.053 0.000 2.492 24 L HA 0.053 4.387 4.340 -0.011 0.000 0.280 24 L C 1.670 178.561 176.870 0.034 0.000 1.240 24 L CA 1.384 56.253 54.840 0.049 0.000 0.831 24 L CB -0.550 41.535 42.059 0.043 0.000 1.100 24 L HN 0.616 nan 8.230 nan 0.000 0.505 25 T N -2.221 112.352 114.554 0.031 0.000 2.992 25 T HA 0.366 4.709 4.350 -0.011 0.000 0.255 25 T C 0.653 175.365 174.700 0.020 0.000 0.938 25 T CA 0.280 62.394 62.100 0.023 0.000 0.895 25 T CB -0.143 68.739 68.868 0.024 0.000 1.221 25 T HN 0.623 nan 8.240 nan 0.000 0.512 26 A N 2.532 125.365 122.820 0.021 0.000 2.609 26 A HA 0.423 4.737 4.320 -0.011 0.000 0.232 26 A C 0.415 178.008 177.584 0.015 0.000 1.041 26 A CA 0.119 52.167 52.037 0.018 0.000 0.753 26 A CB -0.188 18.823 19.000 0.019 0.000 0.966 26 A HN 0.817 nan 8.150 nan 0.000 0.510 27 Q N 0.846 120.654 119.800 0.013 0.000 2.528 27 Q HA 0.778 5.111 4.340 -0.011 0.000 0.289 27 Q C -0.954 175.053 176.000 0.010 0.000 1.091 27 Q CA -0.845 54.964 55.803 0.011 0.000 0.797 27 Q CB 1.717 30.461 28.738 0.010 0.000 1.466 27 Q HN 0.819 nan 8.270 nan 0.000 0.436 28 E N 0.111 120.316 120.200 0.009 0.000 2.390 28 E HA 0.475 4.819 4.350 -0.011 0.000 0.277 28 E C -1.351 175.254 176.600 0.009 0.000 0.939 28 E CA -0.974 55.432 56.400 0.009 0.000 0.769 28 E CB 2.137 31.843 29.700 0.010 0.000 1.251 28 E HN 0.503 nan 8.360 nan 0.000 0.450 29 T N 2.396 116.955 114.554 0.010 0.000 2.767 29 T HA 0.511 4.855 4.350 -0.011 0.000 0.284 29 T C -0.425 174.282 174.700 0.011 0.000 0.973 29 T CA -0.441 61.665 62.100 0.010 0.000 0.996 29 T CB 0.299 69.174 68.868 0.011 0.000 0.927 29 T HN 0.292 nan 8.240 nan 0.000 0.456 30 L N 5.115 126.345 121.223 0.010 0.000 2.388 30 L HA 0.524 4.858 4.340 -0.011 0.000 0.264 30 L C -2.285 174.594 176.870 0.014 0.000 0.998 30 L CA -2.783 52.065 54.840 0.012 0.000 0.817 30 L CB 2.609 44.675 42.059 0.012 0.000 1.338 30 L HN 0.355 nan 8.230 nan 0.000 0.414 31 P HA 0.085 nan 4.420 nan 0.000 0.269 31 P C 0.886 178.198 177.300 0.020 0.000 1.209 31 P CA -0.208 62.903 63.100 0.018 0.000 0.776 31 P CB 0.762 32.473 31.700 0.018 0.000 0.876 32 L N 2.421 123.656 121.223 0.021 0.000 2.081 32 L HA -0.171 4.162 4.340 -0.011 0.000 0.212 32 L C 2.420 179.309 176.870 0.032 0.000 1.080 32 L CA 1.400 56.252 54.840 0.021 0.000 0.754 32 L CB -0.856 41.217 42.059 0.024 0.000 0.893 32 L HN 0.242 nan 8.230 nan 0.000 0.433 33 V N -0.227 119.708 119.914 0.035 0.000 2.867 33 V HA -0.235 3.879 4.120 -0.011 0.000 0.260 33 V C 1.864 177.991 176.094 0.054 0.000 1.099 33 V CA 1.619 63.946 62.300 0.045 0.000 1.122 33 V CB -0.236 31.607 31.823 0.033 0.000 0.708 33 V HN 0.570 nan 8.190 nan 0.000 0.490 34 Q N -2.227 117.600 119.800 0.045 0.000 2.219 34 Q HA 0.143 4.476 4.340 -0.011 0.000 0.209 34 Q C 1.450 177.483 176.000 0.055 0.000 0.854 34 Q CA 0.136 55.968 55.803 0.048 0.000 0.960 34 Q CB 0.437 29.194 28.738 0.032 0.000 1.116 34 Q HN 0.623 nan 8.270 nan 0.000 0.500 35 C N 0.686 120.017 119.300 0.052 0.000 2.754 35 C HA 0.215 4.668 4.460 -0.011 0.000 0.276 35 C C 0.594 175.590 174.990 0.010 0.000 1.264 35 C CA -0.747 58.282 59.018 0.018 0.000 1.700 35 C CB -1.463 26.264 27.740 -0.020 0.000 1.885 35 C HN 0.408 nan 8.230 nan 0.000 0.607 36 F N 1.238 121.170 119.950 -0.029 0.000 2.578 36 F HA 0.427 4.947 4.527 -0.011 0.000 0.376 36 F C 1.418 177.197 175.800 -0.034 0.000 1.085 36 F CA 1.972 59.952 58.000 -0.034 0.000 1.260 36 F CB 0.476 39.460 39.000 -0.026 0.000 1.095 36 F HN 0.446 nan 8.300 nan 0.000 0.573 37 G N 4.008 112.564 108.800 -0.406 0.000 2.234 37 G HA2 -0.261 3.693 3.960 -0.011 0.000 0.260 37 G HA3 -0.261 3.693 3.960 -0.011 0.000 0.260 37 G C 0.497 175.331 174.900 -0.110 0.000 0.987 37 G CA -0.179 44.829 45.100 -0.153 0.000 0.625 37 G HN 0.603 nan 8.290 nan 0.000 0.532 38 R N 0.235 120.669 120.500 -0.108 0.000 2.500 38 R HA 0.530 4.864 4.340 -0.011 0.000 0.275 38 R C 0.504 176.745 176.300 -0.099 0.000 1.051 38 R CA -0.624 55.433 56.100 -0.072 0.000 1.088 38 R CB 0.585 30.858 30.300 -0.044 0.000 1.063 38 R HN 0.225 nan 8.270 nan 0.000 0.511 39 I N 3.206 123.736 120.570 -0.067 0.000 2.331 39 I HA 0.213 4.377 4.170 -0.011 0.000 0.292 39 I C 0.919 177.006 176.117 -0.051 0.000 0.998 39 I CA -0.806 60.455 61.300 -0.065 0.000 1.267 39 I CB 0.395 38.370 38.000 -0.042 0.000 1.386 39 I HN 0.334 nan 8.210 nan 0.000 0.476 40 L N 4.807 125.996 121.223 -0.057 0.000 2.525 40 L HA 0.019 4.353 4.340 -0.011 0.000 0.278 40 L C 1.402 178.266 176.870 -0.010 0.000 1.218 40 L CA 0.065 54.887 54.840 -0.029 0.000 0.878 40 L CB 0.962 43.011 42.059 -0.016 0.000 1.127 40 L HN 0.824 nan 8.230 nan 0.000 0.492 41 A N 2.504 125.323 122.820 -0.001 0.000 2.044 41 A HA 0.172 4.485 4.320 -0.011 0.000 0.213 41 A C 0.743 178.334 177.584 0.012 0.000 1.169 41 A CA 0.377 52.417 52.037 0.006 0.000 0.724 41 A CB 0.220 19.224 19.000 0.006 0.000 0.840 41 A HN 0.635 nan 8.150 nan 0.000 0.463 42 S N 0.558 116.268 115.700 0.017 0.000 2.549 42 S HA 0.411 4.875 4.470 -0.011 0.000 0.280 42 S C -1.681 172.940 174.600 0.034 0.000 1.109 42 S CA -0.947 57.267 58.200 0.022 0.000 0.905 42 S CB 1.364 64.576 63.200 0.020 0.000 1.081 42 S HN 0.302 nan 8.310 nan 0.000 0.477 43 D N 1.706 122.126 120.400 0.034 0.000 2.571 43 D HA 0.091 4.724 4.640 -0.011 0.000 0.231 43 D C -0.257 176.073 176.300 0.050 0.000 1.133 43 D CA 0.478 54.504 54.000 0.044 0.000 0.862 43 D CB 0.353 41.169 40.800 0.026 0.000 1.179 43 D HN 0.149 nan 8.370 nan 0.000 0.474 44 V N 3.421 123.382 119.914 0.079 0.000 2.406 44 V HA 0.194 4.307 4.120 -0.011 0.000 0.272 44 V C 0.471 176.581 176.094 0.027 0.000 1.043 44 V CA -0.596 61.750 62.300 0.077 0.000 0.915 44 V CB 1.557 33.477 31.823 0.163 0.000 0.988 44 V HN 0.211 nan 8.190 nan 0.000 0.466 45 V N 4.091 124.013 119.914 0.014 0.000 2.483 45 V HA 0.364 4.478 4.120 -0.011 0.000 0.295 45 V C 0.439 176.525 176.094 -0.013 0.000 1.035 45 V CA -0.354 61.941 62.300 -0.008 0.000 0.896 45 V CB 2.094 33.916 31.823 -0.002 0.000 0.986 45 V HN 0.875 nan 8.190 nan 0.000 0.447 46 S N 6.046 121.727 115.700 -0.032 0.000 2.481 46 S HA 0.284 4.747 4.470 -0.011 0.000 0.276 46 S C -1.263 173.329 174.600 -0.014 0.000 1.247 46 S CA -1.056 57.127 58.200 -0.029 0.000 1.053 46 S CB 0.996 64.167 63.200 -0.049 0.000 0.925 46 S HN 0.677 nan 8.310 nan 0.000 0.491 47 P HA 0.175 nan 4.420 nan 0.000 0.245 47 P C -0.493 176.808 177.300 0.003 0.000 1.206 47 P CA 0.462 63.563 63.100 0.002 0.000 0.781 47 P CB -0.053 31.652 31.700 0.009 0.000 0.994 48 L N -1.810 119.411 121.223 -0.002 0.000 2.359 48 L HA 0.547 4.881 4.340 -0.011 0.000 0.256 48 L C -0.380 176.483 176.870 -0.011 0.000 1.026 48 L CA -1.244 53.596 54.840 0.001 0.000 0.828 48 L CB 1.284 43.349 42.059 0.009 0.000 1.406 48 L HN -0.387 nan 8.230 nan 0.000 0.413 49 D N 1.235 121.630 120.400 -0.008 0.000 2.304 49 D HA 0.437 5.071 4.640 -0.011 0.000 0.250 49 D C -0.779 175.497 176.300 -0.041 0.000 1.107 49 D CA 0.101 54.087 54.000 -0.023 0.000 0.885 49 D CB 2.328 43.120 40.800 -0.014 0.000 1.192 49 D HN 0.138 nan 8.370 nan 0.000 0.436 50 V N 4.873 124.750 119.914 -0.061 0.000 2.447 50 V HA 0.286 4.400 4.120 -0.011 0.000 0.292 50 V C -2.139 173.893 176.094 -0.103 0.000 1.021 50 V CA -1.524 60.726 62.300 -0.083 0.000 0.850 50 V CB 1.995 33.778 31.823 -0.067 0.000 1.005 50 V HN 0.416 nan 8.190 nan 0.000 0.426 51 P HA 0.176 nan 4.420 nan 0.000 0.274 51 P C 0.882 178.038 177.300 -0.240 0.000 1.256 51 P CA -0.002 62.946 63.100 -0.253 0.000 0.795 51 P CB 1.285 32.747 31.700 -0.396 0.000 1.038 52 G N -0.306 108.324 108.800 -0.284 0.000 2.712 52 G HA2 0.176 4.130 3.960 -0.011 0.000 0.212 52 G HA3 0.176 4.130 3.960 -0.011 0.000 0.212 52 G C 0.050 175.008 174.900 0.096 0.000 1.142 52 G CA 0.146 45.226 45.100 -0.034 0.000 0.789 52 G HN 0.605 nan 8.290 nan 0.000 0.535 53 F N -2.025 117.932 119.950 0.011 0.000 2.693 53 F HA 0.537 5.060 4.527 -0.006 0.000 0.309 53 F C -1.598 174.210 175.800 0.012 0.000 1.129 53 F CA -2.216 55.792 58.000 0.013 0.000 0.948 53 F CB 0.485 39.494 39.000 0.015 0.000 1.315 53 F HN -0.317 nan 8.300 nan 0.000 0.447 54 D N 2.635 123.155 120.400 0.199 0.000 2.417 54 D HA 0.224 4.857 4.640 -0.011 0.000 0.250 54 D C -0.415 175.998 176.300 0.188 0.000 1.166 54 D CA 0.529 54.596 54.000 0.113 0.000 0.881 54 D CB 0.418 41.283 40.800 0.108 0.000 1.164 54 D HN 0.750 nan 8.370 nan 0.000 0.467 55 N N -0.414 118.331 118.700 0.075 0.000 2.853 55 N HA 0.220 4.954 4.740 -0.011 0.000 0.258 55 N C -1.232 174.307 175.510 0.048 0.000 1.444 55 N CA -0.755 52.360 53.050 0.108 0.000 0.837 55 N CB 1.486 40.027 38.487 0.090 0.000 1.489 55 N HN 0.147 nan 8.380 nan 0.000 0.529 56 S N -0.923 114.810 115.700 0.055 0.000 2.513 56 S HA 0.516 4.979 4.470 -0.011 0.000 0.276 56 S C 1.006 175.618 174.600 0.020 0.000 1.254 56 S CA -0.041 58.178 58.200 0.032 0.000 1.053 56 S CB 0.519 63.733 63.200 0.024 0.000 0.958 56 S HN 0.704 nan 8.310 nan 0.000 0.491 57 A N 5.580 128.409 122.820 0.015 0.000 2.067 57 A HA 0.266 4.579 4.320 -0.011 0.000 0.217 57 A C 0.802 178.392 177.584 0.010 0.000 1.156 57 A CA 0.782 52.825 52.037 0.009 0.000 0.683 57 A CB -0.166 18.839 19.000 0.009 0.000 0.808 57 A HN 0.766 nan 8.150 nan 0.000 0.455 58 M N -1.175 118.432 119.600 0.012 0.000 2.716 58 M HA 0.347 4.820 4.480 -0.011 0.000 0.278 58 M C -1.963 174.333 176.300 -0.006 0.000 1.281 58 M CA -0.853 54.451 55.300 0.007 0.000 0.814 58 M CB 0.576 33.184 32.600 0.013 0.000 1.719 58 M HN -0.113 nan 8.290 nan 0.000 0.457 59 D N 1.030 121.420 120.400 -0.018 0.000 2.317 59 D HA 0.653 5.286 4.640 -0.011 0.000 0.252 59 D C 0.489 176.730 176.300 -0.098 0.000 1.174 59 D CA 0.694 54.663 54.000 -0.052 0.000 0.866 59 D CB 1.276 42.051 40.800 -0.041 0.000 1.127 59 D HN 0.823 nan 8.370 nan 0.000 0.467 60 G N 1.189 109.860 108.800 -0.215 0.000 2.609 60 G HA2 0.163 4.117 3.960 -0.011 0.000 0.082 60 G HA3 0.163 4.117 3.960 -0.011 0.000 0.082 60 G C -1.689 172.818 174.900 -0.655 0.000 1.075 60 G CA -0.579 44.308 45.100 -0.355 0.000 1.172 60 G HN 0.344 nan 8.290 nan 0.000 0.532 61 Y N 0.476 120.835 120.300 0.097 0.000 2.492 61 Y HA 0.703 5.247 4.550 -0.011 0.000 0.346 61 Y C 0.274 176.226 175.900 0.086 0.000 0.997 61 Y CA -0.335 57.831 58.100 0.109 0.000 1.025 61 Y CB 2.535 41.161 38.460 0.278 0.000 1.263 61 Y HN 0.776 nan 8.280 nan 0.000 0.454 62 A N 2.808 125.714 122.820 0.143 0.000 2.260 62 A HA 0.773 5.087 4.320 -0.011 0.000 0.308 62 A C -0.507 177.208 177.584 0.219 0.000 1.254 62 A CA -0.440 51.641 52.037 0.072 0.000 0.874 62 A CB 0.048 18.966 19.000 -0.136 0.000 1.153 62 A HN 0.851 nan 8.150 nan 0.000 0.527 63 V N 0.697 120.766 119.914 0.258 0.000 3.141 63 V HA 0.855 4.968 4.120 -0.011 0.000 0.312 63 V C -0.568 175.634 176.094 0.180 0.000 1.157 63 V CA -1.352 61.096 62.300 0.246 0.000 1.041 63 V CB 1.797 33.559 31.823 -0.101 0.000 1.071 63 V HN 0.863 nan 8.190 nan 0.000 0.441 64 R N 1.106 121.594 120.500 -0.020 0.000 2.589 64 R HA 0.593 4.927 4.340 -0.011 0.000 0.293 64 R C 0.562 176.784 176.300 -0.129 0.000 0.963 64 R CA -0.845 55.182 56.100 -0.121 0.000 0.905 64 R CB 1.475 31.599 30.300 -0.293 0.000 1.144 64 R HN 0.644 nan 8.270 nan 0.000 0.459 65 L N 2.152 123.319 121.223 -0.094 0.000 2.081 65 L HA -0.191 4.142 4.340 -0.011 0.000 0.212 65 L C 2.058 178.868 176.870 -0.100 0.000 1.080 65 L CA 2.136 56.923 54.840 -0.088 0.000 0.754 65 L CB -1.221 40.804 42.059 -0.057 0.000 0.893 65 L HN 0.928 nan 8.230 nan 0.000 0.433 66 A N -0.859 121.896 122.820 -0.109 0.000 1.898 66 A HA -0.194 4.119 4.320 -0.011 0.000 0.216 66 A C 2.017 179.534 177.584 -0.112 0.000 1.181 66 A CA 1.669 53.644 52.037 -0.102 0.000 0.620 66 A CB -0.498 18.438 19.000 -0.108 0.000 0.819 66 A HN 0.411 nan 8.150 nan 0.000 0.442 67 D N -0.168 120.144 120.400 -0.146 0.000 2.104 67 D HA -0.141 4.492 4.640 -0.011 0.000 0.194 67 D C 1.791 178.011 176.300 -0.133 0.000 0.994 67 D CA 1.308 55.224 54.000 -0.141 0.000 0.830 67 D CB -0.332 40.367 40.800 -0.167 0.000 0.959 67 D HN 0.392 nan 8.370 nan 0.000 0.452 68 I N 1.527 121.991 120.570 -0.176 0.000 2.226 68 I HA -0.246 3.918 4.170 -0.011 0.000 0.245 68 I C 2.446 178.513 176.117 -0.082 0.000 1.100 68 I CA 0.995 62.194 61.300 -0.169 0.000 1.374 68 I CB -0.298 37.573 38.000 -0.215 0.000 1.057 68 I HN -0.092 nan 8.210 nan 0.000 0.413 69 A N -1.108 121.667 122.820 -0.075 0.000 1.986 69 A HA -0.271 4.042 4.320 -0.011 0.000 0.220 69 A C 2.501 180.063 177.584 -0.036 0.000 1.171 69 A CA 2.233 54.241 52.037 -0.047 0.000 0.640 69 A CB -1.002 17.969 19.000 -0.047 0.000 0.811 69 A HN 0.402 nan 8.150 nan 0.000 0.451 70 S N -2.177 113.497 115.700 -0.044 0.000 2.382 70 S HA 0.142 4.606 4.470 -0.011 0.000 0.228 70 S C 1.650 176.242 174.600 -0.014 0.000 1.027 70 S CA 1.958 60.139 58.200 -0.031 0.000 0.991 70 S CB -0.303 62.874 63.200 -0.038 0.000 0.823 70 S HN 1.779 nan 8.310 nan 0.000 0.469 71 G N 0.418 109.213 108.800 -0.007 0.000 2.213 71 G HA2 -0.221 3.733 3.960 -0.011 0.000 0.236 71 G HA3 -0.221 3.733 3.960 -0.011 0.000 0.236 71 G C 0.029 174.949 174.900 0.034 0.000 0.991 71 G CA 0.335 45.444 45.100 0.015 0.000 0.629 71 G HN 0.717 nan 8.290 nan 0.000 0.517 72 Q N 1.215 121.032 119.800 0.028 0.000 2.317 72 Q HA 0.591 4.925 4.340 -0.011 0.000 0.229 72 Q C -2.749 173.292 176.000 0.069 0.000 0.984 72 Q CA -1.765 54.059 55.803 0.035 0.000 0.911 72 Q CB 0.537 29.286 28.738 0.019 0.000 1.217 72 Q HN 0.204 nan 8.270 nan 0.000 0.501 73 P HA 0.110 nan 4.420 nan 0.000 0.266 73 P C -0.845 176.503 177.300 0.080 0.000 1.195 73 P CA 0.271 63.408 63.100 0.061 0.000 0.768 73 P CB 0.343 32.045 31.700 0.004 0.000 0.838 74 L N 5.558 126.865 121.223 0.139 0.000 2.287 74 L HA 0.422 4.756 4.340 -0.011 0.000 0.287 74 L C -2.239 174.677 176.870 0.076 0.000 1.022 74 L CA -2.414 52.507 54.840 0.134 0.000 0.814 74 L CB 1.598 43.796 42.059 0.232 0.000 1.217 74 L HN 0.162 nan 8.230 nan 0.000 0.420 75 P HA 0.074 nan 4.420 nan 0.000 0.275 75 P C -0.459 176.874 177.300 0.054 0.000 1.228 75 P CA -0.373 62.750 63.100 0.037 0.000 0.786 75 P CB 0.860 32.583 31.700 0.039 0.000 0.927 76 V N 2.706 122.642 119.914 0.036 0.000 2.415 76 V HA 0.133 4.247 4.120 -0.011 0.000 0.267 76 V C 1.543 177.639 176.094 0.003 0.000 1.042 76 V CA 0.611 62.932 62.300 0.036 0.000 1.000 76 V CB -0.154 31.704 31.823 0.058 0.000 1.015 76 V HN 0.707 nan 8.190 nan 0.000 0.478 77 A N 4.096 126.895 122.820 -0.036 0.000 2.169 77 A HA 0.577 4.890 4.320 -0.011 0.000 0.212 77 A C 1.170 178.669 177.584 -0.142 0.000 1.153 77 A CA 1.006 53.017 52.037 -0.044 0.000 0.756 77 A CB -0.098 18.920 19.000 0.029 0.000 0.813 77 A HN 1.234 nan 8.150 nan 0.000 0.471 78 G N -0.726 107.890 108.800 -0.306 0.000 2.344 78 G HA2 0.430 4.383 3.960 -0.011 0.000 0.282 78 G HA3 0.430 4.383 3.960 -0.011 0.000 0.282 78 G C -1.620 173.038 174.900 -0.405 0.000 1.281 78 G CA -0.136 44.809 45.100 -0.258 0.000 0.877 78 G HN 0.624 nan 8.290 nan 0.000 0.494 79 K N -0.856 119.346 120.400 -0.329 0.000 2.512 79 K HA 0.800 5.113 4.320 -0.011 0.000 0.263 79 K C -1.501 174.802 176.600 -0.495 0.000 0.966 79 K CA -0.684 55.310 56.287 -0.489 0.000 0.851 79 K CB 1.655 33.779 32.500 -0.627 0.000 1.395 79 K HN 1.187 nan 8.250 nan 0.000 0.440 80 S N 2.060 117.422 115.700 -0.564 0.000 2.502 80 S HA 0.747 5.211 4.470 -0.011 0.000 0.304 80 S C -1.172 173.190 174.600 -0.396 0.000 1.097 80 S CA -0.640 57.320 58.200 -0.401 0.000 1.045 80 S CB 0.176 63.246 63.200 -0.217 0.000 1.019 80 S HN 0.488 nan 8.310 nan 0.000 0.481 81 F N 1.711 121.631 119.950 -0.050 0.000 2.746 81 F HA 0.635 5.156 4.527 -0.011 0.000 0.378 81 F C 1.677 177.465 175.800 -0.020 0.000 1.165 81 F CA -1.102 56.877 58.000 -0.035 0.000 1.089 81 F CB 0.545 39.527 39.000 -0.030 0.000 1.439 81 F HN 0.696 nan 8.300 nan 0.000 0.516 82 A N 0.672 123.634 122.820 0.236 0.000 1.849 82 A HA -0.090 4.223 4.320 -0.011 0.000 0.216 82 A C 1.681 179.325 177.584 0.100 0.000 1.225 82 A CA 1.926 54.043 52.037 0.134 0.000 0.653 82 A CB -1.568 17.479 19.000 0.079 0.000 0.844 82 A HN 0.870 nan 8.150 nan 0.000 0.453 83 G N -0.197 108.650 108.800 0.079 0.000 3.943 83 G HA2 0.477 4.430 3.960 -0.011 0.000 0.275 83 G HA3 0.477 4.430 3.960 -0.011 0.000 0.275 83 G C -0.153 174.765 174.900 0.030 0.000 1.234 83 G CA 0.385 45.510 45.100 0.041 0.000 1.522 83 G HN 0.819 nan 8.290 nan 0.000 0.636 84 Q N -0.208 119.597 119.800 0.008 0.000 3.087 84 Q HA 0.141 4.475 4.340 -0.011 0.000 0.202 84 Q C -3.191 172.718 176.000 -0.151 0.000 0.763 84 Q CA -1.469 54.307 55.803 -0.046 0.000 1.023 84 Q CB 1.071 29.826 28.738 0.029 0.000 1.570 84 Q HN 0.133 nan 8.270 nan 0.000 0.494 85 P HA -0.131 nan 4.420 nan 0.000 0.270 85 P C -0.754 176.271 177.300 -0.458 0.000 1.221 85 P CA 0.034 62.928 63.100 -0.344 0.000 0.788 85 P CB 0.398 31.867 31.700 -0.386 0.000 0.904 86 Y N 2.043 122.083 120.300 -0.434 0.000 2.436 86 Y HA 0.122 4.668 4.550 -0.006 0.000 0.336 86 Y C 0.452 176.131 175.900 -0.369 0.000 1.049 86 Y CA 0.276 58.139 58.100 -0.395 0.000 1.294 86 Y CB -0.220 38.032 38.460 -0.347 0.000 1.179 86 Y HN 0.314 nan 8.280 nan 0.000 0.520 87 H N 3.775 122.393 119.070 -0.753 0.000 2.525 87 H HA 0.670 5.224 4.556 -0.004 0.000 0.340 87 H C 0.503 175.269 175.328 -0.936 0.000 1.168 87 H CA -0.147 55.523 56.048 -0.629 0.000 1.247 87 H CB 1.481 31.043 29.762 -0.332 0.000 1.568 87 H HN 0.971 nan 8.280 nan 0.000 0.536 88 G N 1.443 110.045 108.800 -0.330 0.000 2.662 88 G HA2 -0.142 3.812 3.960 -0.011 0.000 0.686 88 G HA3 -0.142 3.812 3.960 -0.011 0.000 0.686 88 G C -0.940 173.950 174.900 -0.018 0.000 1.271 88 G CA -0.927 44.055 45.100 -0.196 0.000 0.816 88 G HN 0.557 nan 8.290 nan 0.000 0.608 89 E N -0.836 119.434 120.200 0.116 0.000 2.418 89 E HA 0.382 4.726 4.350 -0.011 0.000 0.261 89 E C -0.064 176.794 176.600 0.429 0.000 1.070 89 E CA -0.049 56.487 56.400 0.226 0.000 0.931 89 E CB 0.607 30.397 29.700 0.151 0.000 0.954 89 E HN 0.661 nan 8.360 nan 0.000 0.439 90 W N 4.891 126.298 121.300 0.178 0.000 2.406 90 W HA 0.363 5.014 4.660 -0.015 0.000 0.308 90 W C -2.524 174.032 176.519 0.061 0.000 0.965 90 W CA -3.261 54.166 57.345 0.135 0.000 1.589 90 W CB -0.067 29.465 29.460 0.119 0.000 1.417 90 W HN 0.446 nan 8.180 nan 0.000 0.415 91 P HA 0.164 nan 4.420 nan 0.000 0.270 91 P C -0.076 177.178 177.300 -0.077 0.000 1.227 91 P CA 0.044 63.187 63.100 0.070 0.000 0.788 91 P CB 0.552 32.307 31.700 0.091 0.000 0.926 92 A N 0.729 123.485 122.820 -0.107 0.000 2.466 92 A HA 0.433 4.746 4.320 -0.011 0.000 0.238 92 A C 1.394 178.919 177.584 -0.098 0.000 1.074 92 A CA 0.443 52.384 52.037 -0.160 0.000 0.774 92 A CB -1.250 17.682 19.000 -0.114 0.000 1.015 92 A HN 0.962 nan 8.150 nan 0.000 0.498 93 G N 0.369 109.102 108.800 -0.113 0.000 2.198 93 G HA2 -0.062 3.891 3.960 -0.011 0.000 0.260 93 G HA3 -0.062 3.891 3.960 -0.011 0.000 0.260 93 G C 0.374 175.283 174.900 0.016 0.000 1.025 93 G CA 1.372 46.444 45.100 -0.047 0.000 0.769 93 G HN 2.368 nan 8.290 nan 0.000 0.507 94 T N -3.180 111.406 114.554 0.054 0.000 2.887 94 T HA 0.757 5.101 4.350 -0.011 0.000 0.292 94 T C 0.319 175.257 174.700 0.396 0.000 1.087 94 T CA -0.210 62.009 62.100 0.198 0.000 1.009 94 T CB 2.554 71.572 68.868 0.251 0.000 1.203 94 T HN 1.666 nan 8.240 nan 0.000 0.518 95 C N 0.773 120.280 119.300 0.345 0.000 2.848 95 C HA 0.901 5.355 4.460 -0.011 0.000 0.317 95 C C -0.969 174.059 174.990 0.064 0.000 1.260 95 C CA -1.072 58.156 59.018 0.349 0.000 1.656 95 C CB 0.537 28.464 27.740 0.312 0.000 2.174 95 C HN 0.886 nan 8.230 nan 0.000 0.479 96 I N 2.358 122.835 120.570 -0.155 0.000 2.389 96 I HA 0.441 4.605 4.170 -0.011 0.000 0.288 96 I C 0.242 176.260 176.117 -0.164 0.000 0.999 96 I CA -0.198 60.841 61.300 -0.434 0.000 1.129 96 I CB 1.331 38.785 38.000 -0.910 0.000 1.288 96 I HN 0.869 nan 8.210 nan 0.000 0.444 97 R N 5.964 126.379 120.500 -0.141 0.000 2.537 97 R HA 0.506 4.840 4.340 -0.011 0.000 0.280 97 R C -1.144 174.979 176.300 -0.296 0.000 1.058 97 R CA 0.445 56.425 56.100 -0.201 0.000 1.057 97 R CB 0.387 30.605 30.300 -0.137 0.000 0.973 97 R HN 0.715 nan 8.270 nan 0.000 0.438 98 I N 4.362 124.770 120.570 -0.269 0.000 2.752 98 I HA 0.333 4.496 4.170 -0.011 0.000 0.295 98 I C -1.292 174.787 176.117 -0.064 0.000 1.219 98 I CA -0.861 60.340 61.300 -0.165 0.000 1.030 98 I CB 1.661 39.581 38.000 -0.133 0.000 1.259 98 I HN 0.546 nan 8.210 nan 0.000 0.423 99 M N 3.872 123.506 119.600 0.057 0.000 2.644 99 M HA 0.374 4.847 4.480 -0.011 0.000 0.316 99 M C -0.022 176.313 176.300 0.058 0.000 1.200 99 M CA -0.686 54.662 55.300 0.079 0.000 0.944 99 M CB 1.240 33.940 32.600 0.167 0.000 1.691 99 M HN 0.509 nan 8.290 nan 0.000 0.471 100 T N 2.194 116.769 114.554 0.035 0.000 2.819 100 T HA 0.183 4.526 4.350 -0.011 0.000 0.282 100 T C 1.241 175.972 174.700 0.051 0.000 1.013 100 T CA 1.821 63.940 62.100 0.031 0.000 1.159 100 T CB -0.238 68.640 68.868 0.016 0.000 1.007 100 T HN 0.998 nan 8.240 nan 0.000 0.514 101 G N 1.991 110.822 108.800 0.053 0.000 2.205 101 G HA2 -0.122 3.832 3.960 -0.011 0.000 0.261 101 G HA3 -0.122 3.832 3.960 -0.011 0.000 0.261 101 G C 0.305 175.302 174.900 0.162 0.000 0.980 101 G CA 0.043 45.188 45.100 0.075 0.000 0.632 101 G HN 1.269 nan 8.290 nan 0.000 0.533 102 A N 1.456 124.361 122.820 0.142 0.000 2.388 102 A HA 0.676 4.989 4.320 -0.011 0.000 0.257 102 A C -1.475 176.221 177.584 0.186 0.000 1.095 102 A CA -0.708 51.421 52.037 0.154 0.000 0.791 102 A CB 0.449 19.506 19.000 0.094 0.000 1.029 102 A HN 0.227 nan 8.150 nan 0.000 0.489 103 P HA 0.220 nan 4.420 nan 0.000 0.271 103 P C 0.052 177.395 177.300 0.072 0.000 1.216 103 P CA -0.029 63.194 63.100 0.206 0.000 0.776 103 P CB 0.619 32.246 31.700 -0.122 0.000 0.881 104 V N 1.327 121.300 119.914 0.098 0.000 2.637 104 V HA 0.337 4.451 4.120 -0.011 0.000 0.296 104 V C -2.015 174.091 176.094 0.019 0.000 1.046 104 V CA -1.864 60.456 62.300 0.034 0.000 1.066 104 V CB -0.220 31.641 31.823 0.064 0.000 0.968 104 V HN 0.458 nan 8.190 nan 0.000 0.483 105 P HA 0.211 nan 4.420 nan 0.000 0.271 105 P C -0.551 176.837 177.300 0.146 0.000 1.218 105 P CA -0.236 62.861 63.100 -0.006 0.000 0.780 105 P CB 0.424 31.981 31.700 -0.239 0.000 0.901 106 E N 1.315 121.622 120.200 0.179 0.000 2.765 106 E HA 0.214 4.558 4.350 -0.011 0.000 0.256 106 E C 1.546 178.331 176.600 0.309 0.000 0.935 106 E CA 1.129 57.651 56.400 0.203 0.000 0.954 106 E CB -1.170 28.632 29.700 0.170 0.000 0.908 106 E HN 0.827 nan 8.360 nan 0.000 0.500 107 G N 1.713 110.646 108.800 0.222 0.000 2.241 107 G HA2 -0.359 3.594 3.960 -0.011 0.000 0.244 107 G HA3 -0.359 3.594 3.960 -0.011 0.000 0.244 107 G C 0.530 175.567 174.900 0.228 0.000 0.998 107 G CA -0.229 44.979 45.100 0.179 0.000 0.621 107 G HN 0.967 nan 8.290 nan 0.000 0.519 108 C N 1.600 121.140 119.300 0.400 0.000 2.596 108 C HA 0.525 4.979 4.460 -0.011 0.000 0.414 108 C C 1.700 176.800 174.990 0.183 0.000 1.396 108 C CA 1.070 60.319 59.018 0.385 0.000 1.698 108 C CB -0.062 27.840 27.740 0.270 0.000 2.572 108 C HN 0.573 nan 8.230 nan 0.000 0.604 109 E N 2.999 123.283 120.200 0.140 0.000 2.465 109 E HA 0.357 4.701 4.350 -0.011 0.000 0.209 109 E C 0.341 176.977 176.600 0.059 0.000 0.951 109 E CA 0.420 56.861 56.400 0.068 0.000 0.997 109 E CB 0.631 30.344 29.700 0.022 0.000 1.025 109 E HN 0.833 nan 8.360 nan 0.000 0.500 110 A N 0.473 123.340 122.820 0.079 0.000 2.597 110 A HA 0.527 4.840 4.320 -0.011 0.000 0.292 110 A C -1.522 176.111 177.584 0.081 0.000 1.057 110 A CA -0.581 51.493 52.037 0.062 0.000 0.674 110 A CB 1.463 20.484 19.000 0.035 0.000 1.278 110 A HN -0.036 nan 8.150 nan 0.000 0.416 111 V N 0.822 120.782 119.914 0.076 0.000 2.555 111 V HA 0.610 4.724 4.120 -0.011 0.000 0.302 111 V C -0.546 175.618 176.094 0.117 0.000 1.038 111 V CA -0.532 61.824 62.300 0.094 0.000 0.887 111 V CB 1.751 33.612 31.823 0.063 0.000 0.991 111 V HN 0.799 nan 8.190 nan 0.000 0.434 112 V N 5.410 125.440 119.914 0.193 0.000 2.417 112 V HA 0.438 4.552 4.120 -0.011 0.000 0.291 112 V C 0.245 176.473 176.094 0.222 0.000 1.024 112 V CA -0.678 61.765 62.300 0.239 0.000 0.861 112 V CB 1.593 33.666 31.823 0.418 0.000 0.985 112 V HN 0.877 nan 8.190 nan 0.000 0.436 113 M N 3.752 123.438 119.600 0.143 0.000 2.250 113 M HA 0.067 4.540 4.480 -0.011 0.000 0.337 113 M C 1.595 177.968 176.300 0.122 0.000 1.161 113 M CA 0.282 55.638 55.300 0.094 0.000 1.088 113 M CB 0.176 32.816 32.600 0.066 0.000 1.639 113 M HN 0.846 nan 8.290 nan 0.000 0.447 114 Q N 1.396 121.238 119.800 0.070 0.000 2.226 114 Q HA -0.201 4.133 4.340 -0.011 0.000 0.204 114 Q C 0.796 176.845 176.000 0.081 0.000 0.975 114 Q CA 1.834 57.699 55.803 0.104 0.000 0.866 114 Q CB -0.334 28.414 28.738 0.018 0.000 0.915 114 Q HN 0.754 nan 8.270 nan 0.000 0.440 115 E N 1.424 121.655 120.200 0.052 0.000 2.204 115 E HA -0.160 4.184 4.350 -0.011 0.000 0.195 115 E C 1.545 178.167 176.600 0.036 0.000 0.990 115 E CA 1.275 57.697 56.400 0.036 0.000 0.821 115 E CB -0.023 29.694 29.700 0.029 0.000 0.750 115 E HN 0.516 nan 8.360 nan 0.000 0.477 116 Q N 0.134 119.968 119.800 0.056 0.000 2.403 116 Q HA 0.058 4.391 4.340 -0.011 0.000 0.203 116 Q C 0.068 176.078 176.000 0.016 0.000 0.932 116 Q CA 0.618 56.452 55.803 0.052 0.000 0.945 116 Q CB 0.440 29.231 28.738 0.088 0.000 1.045 116 Q HN 0.259 nan 8.270 nan 0.000 0.511 117 T N -3.014 111.527 114.554 -0.022 0.000 2.924 117 T HA 0.504 4.847 4.350 -0.011 0.000 0.291 117 T C -0.710 173.907 174.700 -0.138 0.000 1.045 117 T CA -0.941 61.061 62.100 -0.162 0.000 1.015 117 T CB 2.290 70.959 68.868 -0.331 0.000 1.103 117 T HN -0.218 nan 8.240 nan 0.000 0.496 118 E N 1.050 121.125 120.200 -0.209 0.000 2.102 118 E HA 0.366 4.709 4.350 -0.011 0.000 0.263 118 E C -1.087 175.410 176.600 -0.171 0.000 0.894 118 E CA -0.380 55.936 56.400 -0.140 0.000 0.746 118 E CB 1.277 30.912 29.700 -0.108 0.000 1.129 118 E HN 0.577 nan 8.360 nan 0.000 0.416 119 Q N 3.815 123.551 119.800 -0.107 0.000 2.389 119 Q HA 0.377 4.711 4.340 -0.011 0.000 0.244 119 Q C -0.434 175.528 176.000 -0.065 0.000 1.056 119 Q CA 0.268 56.015 55.803 -0.093 0.000 0.908 119 Q CB 0.700 29.435 28.738 -0.005 0.000 1.273 119 Q HN 0.529 nan 8.270 nan 0.000 0.471 120 M N 0.123 119.674 119.600 -0.081 0.000 2.753 120 M HA 0.343 4.817 4.480 -0.011 0.000 0.299 120 M C 0.472 176.752 176.300 -0.034 0.000 1.219 120 M CA -0.831 54.439 55.300 -0.050 0.000 0.900 120 M CB 1.046 33.614 32.600 -0.053 0.000 1.628 120 M HN 0.371 nan 8.290 nan 0.000 0.502 121 D N 0.483 120.871 120.400 -0.020 0.000 2.144 121 D HA -0.088 4.546 4.640 -0.011 0.000 0.200 121 D C 0.603 176.898 176.300 -0.008 0.000 0.978 121 D CA 1.419 55.413 54.000 -0.009 0.000 0.833 121 D CB -0.113 40.684 40.800 -0.004 0.000 0.961 121 D HN 0.479 nan 8.370 nan 0.000 0.470 122 N N 0.124 118.817 118.700 -0.012 0.000 2.295 122 N HA 0.267 5.001 4.740 -0.011 0.000 0.221 122 N C 0.521 176.024 175.510 -0.012 0.000 1.129 122 N CA 0.159 53.205 53.050 -0.007 0.000 0.836 122 N CB 1.559 40.044 38.487 -0.003 0.000 1.040 122 N HN 0.146 nan 8.380 nan 0.000 0.494 123 G N -1.128 107.654 108.800 -0.030 0.000 2.347 123 G HA2 0.010 3.963 3.960 -0.011 0.000 0.321 123 G HA3 0.010 3.963 3.960 -0.011 0.000 0.321 123 G C -1.630 173.197 174.900 -0.122 0.000 1.412 123 G CA -0.896 44.176 45.100 -0.047 0.000 0.990 123 G HN -0.081 nan 8.290 nan 0.000 0.637 124 V N 0.657 120.445 119.914 -0.209 0.000 2.407 124 V HA 0.638 4.752 4.120 -0.011 0.000 0.278 124 V C 0.827 176.643 176.094 -0.464 0.000 1.037 124 V CA -0.546 61.467 62.300 -0.478 0.000 0.900 124 V CB 1.383 32.621 31.823 -0.975 0.000 0.983 124 V HN 0.864 nan 8.190 nan 0.000 0.459 125 R N 4.141 124.390 120.500 -0.418 0.000 2.221 125 R HA 0.503 4.837 4.340 -0.011 0.000 0.327 125 R C -1.444 174.645 176.300 -0.352 0.000 1.033 125 R CA -0.281 55.679 56.100 -0.233 0.000 0.887 125 R CB 0.473 30.698 30.300 -0.125 0.000 1.057 125 R HN 0.517 nan 8.270 nan 0.000 0.455 126 F N 2.309 122.227 119.950 -0.054 0.000 2.450 126 F HA 0.345 4.866 4.527 -0.011 0.000 0.332 126 F C 1.186 176.976 175.800 -0.016 0.000 1.093 126 F CA -0.475 57.507 58.000 -0.032 0.000 1.003 126 F CB 2.427 41.411 39.000 -0.027 0.000 1.151 126 F HN 0.672 nan 8.300 nan 0.000 0.474 127 T N -1.675 112.975 114.554 0.160 0.000 3.051 127 T HA 0.483 4.827 4.350 -0.011 0.000 0.254 127 T C 0.551 175.300 174.700 0.081 0.000 0.916 127 T CA 0.188 62.343 62.100 0.091 0.000 0.894 127 T CB -0.157 68.739 68.868 0.046 0.000 1.251 127 T HN 0.575 nan 8.240 nan 0.000 0.517 128 A N 2.411 125.289 122.820 0.097 0.000 2.332 128 A HA 0.592 4.906 4.320 -0.011 0.000 0.258 128 A C 0.402 178.029 177.584 0.072 0.000 1.087 128 A CA -0.583 51.499 52.037 0.076 0.000 0.802 128 A CB 0.146 19.192 19.000 0.077 0.000 1.042 128 A HN 0.668 nan 8.150 nan 0.000 0.489 129 E N 0.161 120.390 120.200 0.048 0.000 2.408 129 E HA 0.398 4.742 4.350 -0.011 0.000 0.259 129 E C -0.972 175.649 176.600 0.035 0.000 1.110 129 E CA -0.399 56.021 56.400 0.033 0.000 0.929 129 E CB 0.672 30.385 29.700 0.022 0.000 0.971 129 E HN 0.239 nan 8.360 nan 0.000 0.438 130 V N 2.775 122.699 119.914 0.016 0.000 2.531 130 V HA 0.397 4.511 4.120 -0.011 0.000 0.301 130 V C -0.159 175.937 176.094 0.003 0.000 1.034 130 V CA -0.793 61.514 62.300 0.011 0.000 0.865 130 V CB 1.523 33.334 31.823 -0.020 0.000 0.995 130 V HN 0.657 nan 8.190 nan 0.000 0.424 131 R N 1.991 122.498 120.500 0.012 0.000 2.407 131 R HA 0.483 4.817 4.340 -0.011 0.000 0.303 131 R C 0.140 176.445 176.300 0.008 0.000 0.981 131 R CA -0.440 55.665 56.100 0.008 0.000 0.905 131 R CB 1.799 32.107 30.300 0.013 0.000 1.099 131 R HN 0.716 nan 8.270 nan 0.000 0.459 132 S N 1.046 116.748 115.700 0.004 0.000 2.575 132 S HA 0.164 4.627 4.470 -0.011 0.000 0.295 132 S C 1.232 175.840 174.600 0.013 0.000 1.267 132 S CA 1.469 59.672 58.200 0.006 0.000 1.074 132 S CB 0.124 63.325 63.200 0.002 0.000 0.829 132 S HN 0.874 nan 8.310 nan 0.000 0.497 133 G N 3.286 112.098 108.800 0.020 0.000 2.195 133 G HA2 -0.251 3.703 3.960 -0.011 0.000 0.246 133 G HA3 -0.251 3.703 3.960 -0.011 0.000 0.246 133 G C -0.023 174.892 174.900 0.025 0.000 0.984 133 G CA 0.264 45.378 45.100 0.023 0.000 0.633 133 G HN 1.074 nan 8.290 nan 0.000 0.525 134 Q N 0.280 120.096 119.800 0.026 0.000 2.337 134 Q HA 0.486 4.820 4.340 -0.011 0.000 0.270 134 Q C 0.852 176.873 176.000 0.034 0.000 1.002 134 Q CA 0.365 56.185 55.803 0.028 0.000 0.888 134 Q CB 0.384 29.141 28.738 0.031 0.000 1.222 134 Q HN 0.275 nan 8.270 nan 0.000 0.400 135 N N 0.956 119.673 118.700 0.029 0.000 2.753 135 N HA -0.180 4.554 4.740 -0.011 0.000 0.251 135 N C -1.037 174.489 175.510 0.027 0.000 1.097 135 N CA 1.215 54.282 53.050 0.028 0.000 0.786 135 N CB -1.352 37.158 38.487 0.038 0.000 1.137 135 N HN 0.684 nan 8.380 nan 0.000 0.566 136 I N 1.264 121.849 120.570 0.026 0.000 2.321 136 I HA 0.199 4.363 4.170 -0.011 0.000 0.291 136 I C 0.628 176.751 176.117 0.009 0.000 0.998 136 I CA -0.523 60.792 61.300 0.025 0.000 1.227 136 I CB 1.047 39.068 38.000 0.035 0.000 1.368 136 I HN -0.230 nan 8.210 nan 0.000 0.466 137 R N 6.342 126.841 120.500 -0.003 0.000 2.265 137 R HA 0.396 4.729 4.340 -0.011 0.000 0.314 137 R C -0.490 175.791 176.300 -0.033 0.000 1.053 137 R CA -0.581 55.504 56.100 -0.026 0.000 0.931 137 R CB 0.808 31.079 30.300 -0.047 0.000 1.024 137 R HN 0.477 nan 8.270 nan 0.000 0.457 138 R N 2.590 123.072 120.500 -0.031 0.000 2.428 138 R HA 0.208 4.541 4.340 -0.011 0.000 0.294 138 R C 0.041 176.314 176.300 -0.046 0.000 1.000 138 R CA -0.970 55.117 56.100 -0.022 0.000 0.960 138 R CB 1.081 31.376 30.300 -0.008 0.000 1.076 138 R HN 0.506 nan 8.270 nan 0.000 0.475 139 R N 0.876 121.354 120.500 -0.035 0.000 2.669 139 R HA -0.210 4.123 4.340 -0.011 0.000 0.283 139 R C 0.718 176.993 176.300 -0.042 0.000 0.851 139 R CA 1.796 57.871 56.100 -0.041 0.000 1.126 139 R CB -0.188 30.117 30.300 0.008 0.000 0.883 139 R HN 1.013 nan 8.270 nan 0.000 0.418 140 G N 3.020 111.784 108.800 -0.060 0.000 2.168 140 G HA2 -0.380 3.574 3.960 -0.011 0.000 0.263 140 G HA3 -0.380 3.574 3.960 -0.011 0.000 0.263 140 G C 0.633 175.504 174.900 -0.048 0.000 0.977 140 G CA 0.763 45.834 45.100 -0.049 0.000 0.659 140 G HN 0.880 nan 8.290 nan 0.000 0.533 141 E N -0.250 119.919 120.200 -0.051 0.000 2.268 141 E HA -0.086 4.258 4.350 -0.011 0.000 0.195 141 E C 1.383 177.955 176.600 -0.046 0.000 0.995 141 E CA 1.174 57.548 56.400 -0.042 0.000 0.836 141 E CB -0.128 29.549 29.700 -0.037 0.000 0.763 141 E HN 0.443 nan 8.360 nan 0.000 0.491 142 D N 0.685 121.051 120.400 -0.057 0.000 2.149 142 D HA 0.166 4.799 4.640 -0.011 0.000 0.206 142 D C 0.711 176.970 176.300 -0.068 0.000 0.967 142 D CA 0.785 54.749 54.000 -0.059 0.000 0.848 142 D CB 0.682 41.444 40.800 -0.063 0.000 0.998 142 D HN 0.215 nan 8.370 nan 0.000 0.474 143 I N 0.399 120.928 120.570 -0.069 0.000 2.610 143 I HA 0.084 4.248 4.170 -0.011 0.000 0.289 143 I C -0.871 175.211 176.117 -0.058 0.000 1.163 143 I CA -0.577 60.678 61.300 -0.075 0.000 1.044 143 I CB 2.369 40.316 38.000 -0.088 0.000 1.251 143 I HN -0.209 nan 8.210 nan 0.000 0.424 144 S N 4.341 120.010 115.700 -0.051 0.000 2.472 144 S HA 0.815 5.279 4.470 -0.011 0.000 0.303 144 S C 0.049 174.629 174.600 -0.034 0.000 1.099 144 S CA -0.826 57.352 58.200 -0.037 0.000 1.077 144 S CB 1.893 65.075 63.200 -0.030 0.000 1.031 144 S HN 0.779 nan 8.310 nan 0.000 0.487 145 A N 1.886 124.692 122.820 -0.023 0.000 2.584 145 A HA 0.467 4.781 4.320 -0.011 0.000 0.239 145 A C 1.563 179.137 177.584 -0.017 0.000 1.043 145 A CA 0.403 52.429 52.037 -0.017 0.000 0.756 145 A CB -1.340 17.656 19.000 -0.007 0.000 0.963 145 A HN 2.515 nan 8.150 nan 0.000 0.511 146 G N 0.490 109.280 108.800 -0.017 0.000 2.175 146 G HA2 0.179 4.132 3.960 -0.011 0.000 0.244 146 G HA3 0.179 4.132 3.960 -0.011 0.000 0.244 146 G C 0.478 175.364 174.900 -0.022 0.000 0.982 146 G CA 0.498 45.589 45.100 -0.015 0.000 0.641 146 G HN 2.249 nan 8.290 nan 0.000 0.527 147 A N 0.016 122.816 122.820 -0.033 0.000 2.304 147 A HA 0.762 5.076 4.320 -0.011 0.000 0.301 147 A C 0.564 178.115 177.584 -0.055 0.000 1.132 147 A CA -0.039 51.971 52.037 -0.044 0.000 0.819 147 A CB 1.362 20.328 19.000 -0.056 0.000 1.094 147 A HN 1.127 nan 8.150 nan 0.000 0.492 148 V N 3.542 123.424 119.914 -0.053 0.000 2.485 148 V HA 0.036 4.149 4.120 -0.011 0.000 0.287 148 V C 1.200 177.221 176.094 -0.121 0.000 1.022 148 V CA 0.281 62.546 62.300 -0.059 0.000 1.067 148 V CB 0.760 32.562 31.823 -0.035 0.000 0.967 148 V HN 0.719 nan 8.190 nan 0.000 0.479 149 V N 5.075 124.879 119.914 -0.183 0.000 2.575 149 V HA 0.213 4.327 4.120 -0.011 0.000 0.242 149 V C 0.290 175.976 176.094 -0.680 0.000 1.045 149 V CA 1.043 63.080 62.300 -0.439 0.000 1.065 149 V CB -0.210 31.326 31.823 -0.478 0.000 0.717 149 V HN 0.673 nan 8.190 nan 0.000 0.467 150 F N 1.279 121.221 119.950 -0.014 0.000 2.557 150 F HA 0.548 5.069 4.527 -0.010 0.000 0.316 150 F C -2.728 173.062 175.800 -0.017 0.000 1.141 150 F CA -2.358 55.631 58.000 -0.018 0.000 0.922 150 F CB 2.302 41.288 39.000 -0.023 0.000 1.194 150 F HN -0.110 nan 8.300 nan 0.000 0.443 151 P HA 0.237 nan 4.420 nan 0.000 0.281 151 P C -0.664 176.678 177.300 0.070 0.000 1.249 151 P CA -0.358 62.792 63.100 0.084 0.000 0.810 151 P CB 1.050 32.783 31.700 0.055 0.000 1.008 152 A N 1.458 124.304 122.820 0.044 0.000 2.584 152 A HA 0.336 4.650 4.320 -0.011 0.000 0.239 152 A C 1.504 179.097 177.584 0.015 0.000 1.043 152 A CA 1.175 53.228 52.037 0.026 0.000 0.756 152 A CB -1.673 17.339 19.000 0.019 0.000 0.963 152 A HN 0.923 nan 8.150 nan 0.000 0.511 153 G N 1.760 110.561 108.800 0.001 0.000 2.232 153 G HA2 -0.192 3.761 3.960 -0.011 0.000 0.226 153 G HA3 -0.192 3.761 3.960 -0.011 0.000 0.226 153 G C 0.475 175.361 174.900 -0.024 0.000 0.996 153 G CA 0.297 45.391 45.100 -0.010 0.000 0.626 153 G HN 1.307 nan 8.290 nan 0.000 0.509 154 T N 1.648 116.188 114.554 -0.023 0.000 2.902 154 T HA 0.380 4.724 4.350 -0.011 0.000 0.301 154 T C 0.605 175.233 174.700 -0.120 0.000 1.012 154 T CA 0.357 62.420 62.100 -0.062 0.000 1.151 154 T CB 1.286 70.120 68.868 -0.057 0.000 0.946 154 T HN 0.567 nan 8.240 nan 0.000 0.542 155 R N 3.120 123.535 120.500 -0.142 0.000 2.265 155 R HA 0.372 4.706 4.340 -0.011 0.000 0.314 155 R C -0.652 175.479 176.300 -0.282 0.000 1.053 155 R CA -0.524 55.467 56.100 -0.183 0.000 0.931 155 R CB 0.236 30.442 30.300 -0.156 0.000 1.024 155 R HN 0.581 nan 8.270 nan 0.000 0.457 156 L N 3.787 124.815 121.223 -0.326 0.000 2.292 156 L HA 0.404 4.737 4.340 -0.011 0.000 0.284 156 L C 0.273 176.774 176.870 -0.616 0.000 1.065 156 L CA -0.203 54.394 54.840 -0.404 0.000 0.806 156 L CB 1.814 43.691 42.059 -0.303 0.000 1.175 156 L HN 0.753 nan 8.230 nan 0.000 0.431 157 T N -0.360 113.854 114.554 -0.567 0.000 2.778 157 T HA 0.179 4.523 4.350 -0.011 0.000 0.293 157 T C 0.958 175.519 174.700 -0.231 0.000 1.144 157 T CA -0.391 61.303 62.100 -0.676 0.000 1.010 157 T CB 1.837 70.460 68.868 -0.408 0.000 1.325 157 T HN 0.633 nan 8.240 nan 0.000 0.515 158 T N 1.328 115.920 114.554 0.064 0.000 2.929 158 T HA -0.051 4.293 4.350 -0.011 0.000 0.271 158 T C 2.056 176.778 174.700 0.036 0.000 1.085 158 T CA 1.219 63.391 62.100 0.119 0.000 1.125 158 T CB -0.379 68.600 68.868 0.186 0.000 0.874 158 T HN 0.622 nan 8.240 nan 0.000 0.494 159 A N 1.609 124.426 122.820 -0.004 0.000 1.902 159 A HA -0.116 4.198 4.320 -0.011 0.000 0.217 159 A C 2.227 179.797 177.584 -0.023 0.000 1.181 159 A CA 1.562 53.597 52.037 -0.004 0.000 0.623 159 A CB -0.311 18.680 19.000 -0.013 0.000 0.818 159 A HN 0.460 nan 8.150 nan 0.000 0.443 160 E N -0.547 119.551 120.200 -0.170 0.000 2.162 160 E HA 0.190 4.533 4.350 -0.011 0.000 0.193 160 E C 1.893 178.390 176.600 -0.172 0.000 0.953 160 E CA 0.245 56.426 56.400 -0.365 0.000 0.849 160 E CB -0.243 28.866 29.700 -0.985 0.000 0.810 160 E HN 0.508 nan 8.360 nan 0.000 0.470 161 L N 1.056 122.197 121.223 -0.138 0.000 2.017 161 L HA -0.112 4.221 4.340 -0.011 0.000 0.208 161 L C -0.726 176.161 176.870 0.029 0.000 1.073 161 L CA 1.378 56.187 54.840 -0.051 0.000 0.745 161 L CB -1.154 40.883 42.059 -0.037 0.000 0.894 161 L HN 0.153 nan 8.230 nan 0.000 0.432 162 P HA -0.112 nan 4.420 nan 0.000 0.218 162 P C 1.896 179.246 177.300 0.082 0.000 1.149 162 P CA 0.966 64.101 63.100 0.059 0.000 0.817 162 P CB 0.064 31.797 31.700 0.054 0.000 0.785 163 V N -0.194 119.796 119.914 0.126 0.000 2.332 163 V HA -0.251 3.863 4.120 -0.011 0.000 0.248 163 V C 2.288 178.476 176.094 0.157 0.000 1.055 163 V CA 1.731 64.129 62.300 0.164 0.000 1.038 163 V CB -1.129 30.870 31.823 0.293 0.000 0.651 163 V HN 0.084 nan 8.190 nan 0.000 0.450 164 I N 0.355 121.040 120.570 0.192 0.000 2.394 164 I HA -0.187 3.977 4.170 -0.011 0.000 0.251 164 I C 2.590 178.756 176.117 0.083 0.000 1.136 164 I CA 1.304 62.694 61.300 0.148 0.000 1.425 164 I CB -0.519 37.564 38.000 0.139 0.000 1.079 164 I HN 0.278 nan 8.210 nan 0.000 0.425 165 A N 0.596 123.458 122.820 0.069 0.000 1.929 165 A HA -0.193 4.121 4.320 -0.011 0.000 0.216 165 A C 2.476 180.088 177.584 0.046 0.000 1.176 165 A CA 1.779 53.847 52.037 0.050 0.000 0.628 165 A CB -0.759 18.268 19.000 0.045 0.000 0.816 165 A HN 0.492 nan 8.150 nan 0.000 0.444 166 S N -0.117 115.613 115.700 0.049 0.000 2.469 166 S HA -0.029 4.434 4.470 -0.011 0.000 0.238 166 S C 1.479 176.099 174.600 0.032 0.000 0.998 166 S CA 1.277 59.501 58.200 0.039 0.000 0.957 166 S CB -0.561 62.661 63.200 0.036 0.000 0.764 166 S HN 0.456 nan 8.310 nan 0.000 0.514 167 L N 0.753 121.997 121.223 0.035 0.000 2.592 167 L HA 0.331 4.664 4.340 -0.011 0.000 0.227 167 L C 1.751 178.637 176.870 0.028 0.000 1.127 167 L CA 0.288 55.144 54.840 0.026 0.000 0.884 167 L CB -0.676 41.398 42.059 0.025 0.000 1.065 167 L HN 0.584 nan 8.230 nan 0.000 0.457 168 G N 1.145 109.964 108.800 0.031 0.000 2.137 168 G HA2 -0.272 3.682 3.960 -0.011 0.000 0.237 168 G HA3 -0.272 3.682 3.960 -0.011 0.000 0.237 168 G C 0.099 175.016 174.900 0.029 0.000 1.002 168 G CA -0.212 44.905 45.100 0.029 0.000 0.702 168 G HN 0.304 nan 8.290 nan 0.000 0.515 169 I N 0.557 121.147 120.570 0.033 0.000 2.336 169 I HA 0.514 4.678 4.170 -0.011 0.000 0.292 169 I C 1.369 177.505 176.117 0.032 0.000 0.991 169 I CA -0.058 61.262 61.300 0.033 0.000 1.227 169 I CB 1.633 39.658 38.000 0.041 0.000 1.366 169 I HN 0.118 nan 8.210 nan 0.000 0.466 170 A N 5.749 128.585 122.820 0.027 0.000 2.044 170 A HA 0.133 4.447 4.320 -0.011 0.000 0.213 170 A C 0.513 178.110 177.584 0.023 0.000 1.169 170 A CA 0.534 52.586 52.037 0.024 0.000 0.724 170 A CB 0.109 19.122 19.000 0.021 0.000 0.840 170 A HN 0.799 nan 8.150 nan 0.000 0.463 171 E N -0.800 119.414 120.200 0.022 0.000 2.392 171 E HA 0.554 4.898 4.350 -0.011 0.000 0.279 171 E C -1.092 175.520 176.600 0.020 0.000 0.964 171 E CA -0.893 55.519 56.400 0.019 0.000 0.777 171 E CB 1.795 31.505 29.700 0.017 0.000 1.249 171 E HN 0.320 nan 8.360 nan 0.000 0.449 172 V N -2.506 117.418 119.914 0.016 0.000 3.102 172 V HA 0.735 4.849 4.120 -0.011 0.000 0.312 172 V C -2.811 173.289 176.094 0.010 0.000 1.135 172 V CA -2.646 59.663 62.300 0.016 0.000 1.022 172 V CB 1.706 33.538 31.823 0.016 0.000 1.056 172 V HN 0.686 nan 8.190 nan 0.000 0.436 173 P HA 0.513 nan 4.420 nan 0.000 0.285 173 P C -0.758 176.544 177.300 0.002 0.000 1.259 173 P CA -0.200 62.905 63.100 0.008 0.000 0.794 173 P CB 1.628 33.335 31.700 0.011 0.000 0.940 174 V N 1.198 121.112 119.914 -0.001 0.000 3.007 174 V HA 0.530 4.643 4.120 -0.011 0.000 0.311 174 V C -0.045 176.048 176.094 -0.002 0.000 1.120 174 V CA -1.366 60.930 62.300 -0.008 0.000 0.980 174 V CB 1.598 33.412 31.823 -0.015 0.000 1.033 174 V HN 0.290 nan 8.190 nan 0.000 0.429 175 I N 3.692 124.260 120.570 -0.004 0.000 2.692 175 I HA 0.295 4.459 4.170 -0.011 0.000 0.284 175 I C 1.265 177.385 176.117 0.004 0.000 1.159 175 I CA -0.069 61.233 61.300 0.003 0.000 1.423 175 I CB 0.528 38.529 38.000 0.002 0.000 1.380 175 I HN 0.900 nan 8.210 nan 0.000 0.580 176 R N 5.965 126.472 120.500 0.010 0.000 2.784 176 R HA 0.198 4.531 4.340 -0.011 0.000 0.266 176 R C -0.553 175.755 176.300 0.014 0.000 1.044 176 R CA -0.551 55.557 56.100 0.013 0.000 1.151 176 R CB 0.370 30.680 30.300 0.016 0.000 1.037 176 R HN 0.432 nan 8.270 nan 0.000 0.478 177 K N 1.303 121.711 120.400 0.014 0.000 2.436 177 K HA 0.052 4.366 4.320 -0.011 0.000 0.275 177 K C -0.282 176.330 176.600 0.020 0.000 0.999 177 K CA -0.359 55.937 56.287 0.015 0.000 0.980 177 K CB 0.835 33.344 32.500 0.015 0.000 0.919 177 K HN 0.319 nan 8.250 nan 0.000 0.484 178 V N 4.127 124.054 119.914 0.022 0.000 2.529 178 V HA -0.016 4.098 4.120 -0.011 0.000 0.292 178 V C 0.649 176.761 176.094 0.030 0.000 1.028 178 V CA 0.187 62.507 62.300 0.033 0.000 1.074 178 V CB 0.065 31.908 31.823 0.035 0.000 0.958 178 V HN 0.630 nan 8.190 nan 0.000 0.481 179 R N 3.552 124.074 120.500 0.036 0.000 2.265 179 R HA 0.602 4.936 4.340 -0.011 0.000 0.314 179 R C -1.047 175.276 176.300 0.038 0.000 1.053 179 R CA -0.410 55.708 56.100 0.030 0.000 0.931 179 R CB 1.386 31.704 30.300 0.030 0.000 1.024 179 R HN 0.551 nan 8.270 nan 0.000 0.457 180 V N 2.483 122.410 119.914 0.021 0.000 2.443 180 V HA 0.466 4.580 4.120 -0.011 0.000 0.293 180 V C -0.163 175.936 176.094 0.010 0.000 1.021 180 V CA -0.991 61.324 62.300 0.025 0.000 0.848 180 V CB 1.674 33.508 31.823 0.019 0.000 0.998 180 V HN 0.910 nan 8.190 nan 0.000 0.424 181 A N 5.816 128.662 122.820 0.043 0.000 2.309 181 A HA 0.834 5.148 4.320 -0.011 0.000 0.298 181 A C -0.713 176.900 177.584 0.049 0.000 1.165 181 A CA -0.363 51.713 52.037 0.065 0.000 0.821 181 A CB 0.770 19.839 19.000 0.115 0.000 1.102 181 A HN 0.827 nan 8.150 nan 0.000 0.500 182 L N 3.173 124.431 121.223 0.058 0.000 2.386 182 L HA 0.892 5.226 4.340 -0.011 0.000 0.271 182 L C -1.352 175.599 176.870 0.134 0.000 0.993 182 L CA -0.749 54.087 54.840 -0.007 0.000 0.819 182 L CB 1.723 43.764 42.059 -0.030 0.000 1.294 182 L HN 0.917 nan 8.230 nan 0.000 0.414 183 F N 0.926 120.861 119.950 -0.024 0.000 2.773 183 F HA 0.729 5.249 4.527 -0.011 0.000 0.314 183 F C -1.046 174.751 175.800 -0.005 0.000 1.160 183 F CA -0.782 57.203 58.000 -0.026 0.000 0.920 183 F CB 1.314 40.272 39.000 -0.071 0.000 1.323 183 F HN 0.369 nan 8.300 nan 0.000 0.457 184 S N -0.172 115.689 115.700 0.268 0.000 2.667 184 S HA 0.899 5.363 4.470 -0.011 0.000 0.292 184 S C -1.096 173.652 174.600 0.246 0.000 1.126 184 S CA -0.589 57.721 58.200 0.184 0.000 0.881 184 S CB 1.991 65.252 63.200 0.102 0.000 1.132 184 S HN 1.145 nan 8.310 nan 0.000 0.492 185 T N -0.889 113.780 114.554 0.191 0.000 2.853 185 T HA 0.774 5.118 4.350 -0.011 0.000 0.311 185 T C -0.735 174.045 174.700 0.133 0.000 1.307 185 T CA 0.399 62.600 62.100 0.169 0.000 1.019 185 T CB 1.176 70.166 68.868 0.204 0.000 1.264 185 T HN 2.232 nan 8.240 nan 0.000 0.497 186 G N 2.304 111.179 108.800 0.126 0.000 2.397 186 G HA2 0.128 4.081 3.960 -0.011 0.000 0.453 186 G HA3 0.128 4.081 3.960 -0.011 0.000 0.453 186 G C 0.205 175.154 174.900 0.081 0.000 1.579 186 G CA 0.312 45.475 45.100 0.106 0.000 0.906 186 G HN 0.757 nan 8.290 nan 0.000 0.675 187 D N 1.099 121.543 120.400 0.074 0.000 2.144 187 D HA -0.138 4.496 4.640 -0.011 0.000 0.200 187 D C 1.606 177.924 176.300 0.030 0.000 0.978 187 D CA 1.764 55.793 54.000 0.049 0.000 0.833 187 D CB 0.016 40.843 40.800 0.045 0.000 0.961 187 D HN 0.586 nan 8.370 nan 0.000 0.470 188 E N 1.341 121.558 120.200 0.028 0.000 2.130 188 E HA -0.067 4.277 4.350 -0.011 0.000 0.196 188 E C 0.951 177.547 176.600 -0.005 0.000 0.998 188 E CA 0.369 56.773 56.400 0.006 0.000 0.806 188 E CB -0.607 29.099 29.700 0.011 0.000 0.738 188 E HN 0.372 nan 8.360 nan 0.000 0.459 189 L N 1.492 122.728 121.223 0.021 0.000 2.455 189 L HA 0.115 4.449 4.340 -0.011 0.000 0.272 189 L C 0.187 177.072 176.870 0.024 0.000 1.174 189 L CA -0.162 54.694 54.840 0.028 0.000 0.869 189 L CB 0.350 42.443 42.059 0.056 0.000 1.130 189 L HN 0.121 nan 8.230 nan 0.000 0.474 190 Q N 2.830 122.644 119.800 0.023 0.000 2.377 190 Q HA 0.586 4.920 4.340 -0.011 0.000 0.271 190 Q C -1.161 174.969 176.000 0.217 0.000 1.077 190 Q CA -0.493 55.345 55.803 0.059 0.000 0.820 190 Q CB 2.071 30.755 28.738 -0.091 0.000 1.347 190 Q HN 0.476 nan 8.270 nan 0.000 0.444 191 L N 4.296 125.635 121.223 0.192 0.000 2.399 191 L HA 0.606 4.940 4.340 -0.011 0.000 0.265 191 L C -1.918 175.061 176.870 0.183 0.000 1.089 191 L CA -2.122 52.813 54.840 0.157 0.000 0.802 191 L CB 1.144 43.251 42.059 0.081 0.000 1.180 191 L HN 0.628 nan 8.230 nan 0.000 0.454 192 P HA 0.103 nan 4.420 nan 0.000 0.271 192 P C 0.507 177.773 177.300 -0.056 0.000 1.218 192 P CA 0.474 63.471 63.100 -0.172 0.000 0.780 192 P CB 1.245 32.816 31.700 -0.215 0.000 0.901 193 G N 1.375 110.140 108.800 -0.059 0.000 2.308 193 G HA2 -0.164 3.790 3.960 -0.011 0.000 0.221 193 G HA3 -0.164 3.790 3.960 -0.011 0.000 0.221 193 G C -0.096 174.844 174.900 0.067 0.000 1.032 193 G CA -0.361 44.739 45.100 0.001 0.000 0.623 193 G HN 0.669 nan 8.290 nan 0.000 0.506 194 Q N 2.331 122.209 119.800 0.131 0.000 2.279 194 Q HA 0.498 4.831 4.340 -0.011 0.000 0.256 194 Q C -2.548 173.562 176.000 0.183 0.000 0.937 194 Q CA -2.229 53.653 55.803 0.132 0.000 0.933 194 Q CB 1.426 30.225 28.738 0.102 0.000 1.189 194 Q HN 0.424 nan 8.270 nan 0.000 0.417 195 P HA -0.003 nan 4.420 nan 0.000 0.267 195 P C -0.381 176.923 177.300 0.008 0.000 1.200 195 P CA -0.436 62.713 63.100 0.081 0.000 0.772 195 P CB 0.561 32.289 31.700 0.046 0.000 0.855 196 L N 2.676 123.859 121.223 -0.066 0.000 2.462 196 L HA 0.190 4.523 4.340 -0.011 0.000 0.272 196 L C 1.628 178.452 176.870 -0.076 0.000 1.166 196 L CA 0.645 55.390 54.840 -0.157 0.000 0.880 196 L CB -0.640 41.284 42.059 -0.225 0.000 1.142 196 L HN 0.574 nan 8.230 nan 0.000 0.473 197 G N 2.536 111.296 108.800 -0.066 0.000 2.608 197 G HA2 -0.017 3.937 3.960 -0.011 0.000 0.212 197 G HA3 -0.017 3.937 3.960 -0.011 0.000 0.212 197 G C 0.662 175.541 174.900 -0.035 0.000 1.572 197 G CA 0.154 45.233 45.100 -0.036 0.000 1.064 197 G HN 0.632 nan 8.290 nan 0.000 0.556 198 D N -0.203 120.183 120.400 -0.023 0.000 2.143 198 D HA -0.027 4.607 4.640 -0.011 0.000 0.230 198 D C 2.219 178.507 176.300 -0.022 0.000 1.058 198 D CA 1.751 55.741 54.000 -0.016 0.000 0.947 198 D CB -0.836 39.959 40.800 -0.008 0.000 1.269 198 D HN 0.382 nan 8.370 nan 0.000 0.498 199 G N 0.324 109.113 108.800 -0.018 0.000 3.678 199 G HA2 0.153 4.107 3.960 -0.011 0.000 0.287 199 G HA3 0.153 4.107 3.960 -0.011 0.000 0.287 199 G C -0.040 174.841 174.900 -0.032 0.000 1.280 199 G CA -0.257 44.832 45.100 -0.017 0.000 1.118 199 G HN 0.221 nan 8.290 nan 0.000 0.563 200 Q N -0.074 119.690 119.800 -0.059 0.000 2.260 200 Q HA 0.629 4.963 4.340 -0.011 0.000 0.242 200 Q C -0.119 175.788 176.000 -0.155 0.000 0.932 200 Q CA -0.305 55.441 55.803 -0.096 0.000 0.891 200 Q CB 2.208 30.877 28.738 -0.114 0.000 1.222 200 Q HN 0.555 nan 8.270 nan 0.000 0.453 201 I N -2.994 117.471 120.570 -0.175 0.000 3.191 201 I HA 0.445 4.609 4.170 -0.011 0.000 0.313 201 I C -1.362 174.596 176.117 -0.264 0.000 1.193 201 I CA -1.315 59.851 61.300 -0.222 0.000 0.968 201 I CB 1.421 39.379 38.000 -0.070 0.000 1.262 201 I HN 0.435 nan 8.210 nan 0.000 0.456 202 Y N 0.729 121.031 120.300 0.004 0.000 2.304 202 Y HA 0.275 4.818 4.550 -0.011 0.000 0.328 202 Y C 0.249 176.143 175.900 -0.009 0.000 1.123 202 Y CA -0.171 57.926 58.100 -0.005 0.000 1.218 202 Y CB 0.676 39.127 38.460 -0.016 0.000 1.207 202 Y HN 0.511 nan 8.280 nan 0.000 0.495 203 D N 1.799 122.299 120.400 0.166 0.000 2.358 203 D HA -0.000 4.633 4.640 -0.011 0.000 0.258 203 D C 0.807 177.138 176.300 0.051 0.000 1.223 203 D CA 0.345 54.397 54.000 0.086 0.000 0.886 203 D CB 0.901 41.746 40.800 0.075 0.000 1.120 203 D HN 0.758 nan 8.370 nan 0.000 0.482 204 T N 0.400 114.962 114.554 0.013 0.000 2.978 204 T HA 0.021 4.364 4.350 -0.011 0.000 0.248 204 T C 1.369 176.024 174.700 -0.076 0.000 1.018 204 T CA -0.244 61.822 62.100 -0.056 0.000 1.026 204 T CB 0.011 68.812 68.868 -0.112 0.000 1.032 204 T HN 0.107 nan 8.240 nan 0.000 0.485 205 N N 1.890 120.571 118.700 -0.033 0.000 2.166 205 N HA -0.020 4.714 4.740 -0.011 0.000 0.186 205 N C 1.881 177.369 175.510 -0.037 0.000 1.019 205 N CA 1.172 54.208 53.050 -0.023 0.000 0.856 205 N CB -0.379 38.120 38.487 0.019 0.000 0.993 205 N HN 0.510 nan 8.380 nan 0.000 0.426 206 R N 0.583 121.075 120.500 -0.014 0.000 2.073 206 R HA 0.074 4.408 4.340 -0.011 0.000 0.229 206 R C 2.155 178.458 176.300 0.005 0.000 1.120 206 R CA 0.593 56.694 56.100 0.001 0.000 0.967 206 R CB -0.336 29.985 30.300 0.035 0.000 0.862 206 R HN 0.175 nan 8.270 nan 0.000 0.436 207 L N 0.396 121.608 121.223 -0.019 0.000 2.046 207 L HA -0.127 4.206 4.340 -0.011 0.000 0.208 207 L C 2.299 179.135 176.870 -0.056 0.000 1.077 207 L CA 1.743 56.559 54.840 -0.040 0.000 0.747 207 L CB -0.571 41.441 42.059 -0.078 0.000 0.896 207 L HN 0.392 nan 8.230 nan 0.000 0.432 208 A N -0.701 122.063 122.820 -0.094 0.000 1.877 208 A HA -0.173 4.140 4.320 -0.011 0.000 0.216 208 A C 2.163 179.614 177.584 -0.222 0.000 1.186 208 A CA 1.884 53.845 52.037 -0.126 0.000 0.620 208 A CB -0.834 18.106 19.000 -0.100 0.000 0.822 208 A HN 0.317 nan 8.150 nan 0.000 0.443 209 V N -0.438 119.331 119.914 -0.242 0.000 2.515 209 V HA -0.213 3.900 4.120 -0.011 0.000 0.250 209 V C 2.503 178.426 176.094 -0.285 0.000 1.058 209 V CA 2.006 64.042 62.300 -0.439 0.000 1.064 209 V CB -0.955 30.674 31.823 -0.323 0.000 0.675 209 V HN 0.741 nan 8.190 nan 0.000 0.461 210 H N 0.299 119.252 119.070 -0.195 0.000 2.321 210 H HA -0.079 4.471 4.556 -0.011 0.000 0.300 210 H C 2.220 177.475 175.328 -0.123 0.000 1.087 210 H CA 1.932 57.907 56.048 -0.121 0.000 1.319 210 H CB -0.150 29.565 29.762 -0.080 0.000 1.379 210 H HN 0.328 nan 8.280 nan 0.000 0.501 211 L N -0.143 121.124 121.223 0.072 0.000 2.012 211 L HA -0.248 4.085 4.340 -0.011 0.000 0.210 211 L C 3.009 179.836 176.870 -0.071 0.000 1.073 211 L CA 1.478 56.316 54.840 -0.003 0.000 0.748 211 L CB -0.411 41.612 42.059 -0.060 0.000 0.891 211 L HN 0.271 nan 8.230 nan 0.000 0.431 212 M N -0.802 118.687 119.600 -0.184 0.000 2.099 212 M HA -0.200 4.274 4.480 -0.011 0.000 0.262 212 M C 2.366 178.634 176.300 -0.053 0.000 1.067 212 M CA 1.677 56.865 55.300 -0.186 0.000 1.124 212 M CB -0.448 31.919 32.600 -0.390 0.000 1.353 212 M HN 0.219 nan 8.290 nan 0.000 0.410 213 L N 0.102 121.282 121.223 -0.071 0.000 1.990 213 L HA -0.254 4.079 4.340 -0.011 0.000 0.213 213 L C 2.493 179.360 176.870 -0.004 0.000 1.072 213 L CA 1.559 56.404 54.840 0.009 0.000 0.755 213 L CB -0.782 41.236 42.059 -0.067 0.000 0.889 213 L HN 0.374 nan 8.230 nan 0.000 0.432 214 E N -0.534 119.659 120.200 -0.012 0.000 2.077 214 E HA -0.235 4.109 4.350 -0.011 0.000 0.193 214 E C 2.265 178.873 176.600 0.013 0.000 0.989 214 E CA 0.976 57.386 56.400 0.017 0.000 0.800 214 E CB -0.071 29.670 29.700 0.068 0.000 0.746 214 E HN 0.470 nan 8.360 nan 0.000 0.452 215 Q N 0.257 120.056 119.800 -0.001 0.000 2.230 215 Q HA -0.031 4.302 4.340 -0.011 0.000 0.202 215 Q C 2.168 178.171 176.000 0.005 0.000 0.963 215 Q CA 0.664 56.463 55.803 -0.006 0.000 0.866 215 Q CB -0.077 28.640 28.738 -0.036 0.000 0.931 215 Q HN 0.357 nan 8.270 nan 0.000 0.452 216 L N -0.549 120.679 121.223 0.009 0.000 2.622 216 L HA 0.019 4.352 4.340 -0.011 0.000 0.233 216 L C 1.111 177.991 176.870 0.016 0.000 1.156 216 L CA 0.594 55.441 54.840 0.011 0.000 0.866 216 L CB -0.382 41.691 42.059 0.023 0.000 0.980 216 L HN 0.353 nan 8.230 nan 0.000 0.448 217 G N -1.085 107.729 108.800 0.023 0.000 2.143 217 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.249 217 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.249 217 G C 0.303 175.213 174.900 0.018 0.000 0.981 217 G CA -0.006 45.110 45.100 0.027 0.000 0.665 217 G HN 0.336 nan 8.290 nan 0.000 0.528 218 C N 0.329 119.637 119.300 0.012 0.000 2.520 218 C HA 0.582 5.035 4.460 -0.011 0.000 0.376 218 C C 0.925 175.913 174.990 -0.003 0.000 1.268 218 C CA -0.423 58.599 59.018 0.007 0.000 2.414 218 C CB 1.231 28.976 27.740 0.009 0.000 2.521 218 C HN 0.536 nan 8.230 nan 0.000 0.618 219 E N 0.832 121.030 120.200 -0.003 0.000 2.146 219 E HA 0.446 4.790 4.350 -0.011 0.000 0.282 219 E C -1.172 175.408 176.600 -0.034 0.000 0.989 219 E CA -0.193 56.203 56.400 -0.008 0.000 0.799 219 E CB 0.920 30.623 29.700 0.006 0.000 1.088 219 E HN 0.494 nan 8.360 nan 0.000 0.397 220 V N 5.954 125.824 119.914 -0.074 0.000 2.472 220 V HA 0.363 4.477 4.120 -0.011 0.000 0.290 220 V C 0.084 176.133 176.094 -0.075 0.000 1.037 220 V CA -0.573 61.635 62.300 -0.155 0.000 0.908 220 V CB 1.373 32.914 31.823 -0.470 0.000 0.985 220 V HN 0.590 nan 8.190 nan 0.000 0.454 221 I N 3.956 124.498 120.570 -0.047 0.000 2.420 221 I HA 0.340 4.503 4.170 -0.011 0.000 0.282 221 I C -0.008 176.125 176.117 0.027 0.000 1.019 221 I CA -0.025 61.281 61.300 0.009 0.000 1.130 221 I CB 1.067 39.082 38.000 0.026 0.000 1.262 221 I HN 0.616 nan 8.210 nan 0.000 0.454 222 N N 5.767 124.506 118.700 0.064 0.000 2.462 222 N HA 0.217 4.951 4.740 -0.011 0.000 0.242 222 N C 0.531 176.101 175.510 0.100 0.000 1.010 222 N CA -0.503 52.614 53.050 0.112 0.000 0.939 222 N CB 0.755 39.379 38.487 0.229 0.000 1.127 222 N HN 0.490 nan 8.380 nan 0.000 0.509 223 L N 2.937 124.226 121.223 0.110 0.000 2.599 223 L HA 0.296 4.630 4.340 -0.011 0.000 0.230 223 L C 1.543 178.449 176.870 0.060 0.000 1.141 223 L CA 0.668 55.547 54.840 0.064 0.000 0.877 223 L CB -1.846 40.226 42.059 0.021 0.000 1.009 223 L HN 0.837 nan 8.230 nan 0.000 0.447 224 G N 0.086 108.944 108.800 0.097 0.000 2.593 224 G HA2 -0.283 3.670 3.960 -0.011 0.000 0.237 224 G HA3 -0.283 3.670 3.960 -0.011 0.000 0.237 224 G C -0.023 174.938 174.900 0.103 0.000 1.312 224 G CA -0.348 44.801 45.100 0.081 0.000 0.896 224 G HN 0.103 nan 8.290 nan 0.000 0.574 225 I N 1.454 122.070 120.570 0.077 0.000 2.352 225 I HA 0.232 4.396 4.170 -0.011 0.000 0.290 225 I C 0.556 176.704 176.117 0.052 0.000 1.036 225 I CA -0.686 60.665 61.300 0.084 0.000 1.336 225 I CB 0.763 38.806 38.000 0.071 0.000 1.407 225 I HN 0.250 nan 8.210 nan 0.000 0.497 226 I N 6.761 127.363 120.570 0.055 0.000 2.441 226 I HA 0.154 4.317 4.170 -0.011 0.000 0.287 226 I C 0.810 176.957 176.117 0.049 0.000 1.049 226 I CA -0.362 60.938 61.300 -0.001 0.000 1.381 226 I CB 0.580 38.527 38.000 -0.089 0.000 1.409 226 I HN 0.676 nan 8.210 nan 0.000 0.523 227 R N 3.448 123.968 120.500 0.034 0.000 2.623 227 R HA 0.054 4.388 4.340 -0.011 0.000 0.271 227 R C -0.368 175.980 176.300 0.080 0.000 1.043 227 R CA -0.479 55.650 56.100 0.048 0.000 1.083 227 R CB 0.289 30.604 30.300 0.025 0.000 0.974 227 R HN 0.395 nan 8.270 nan 0.000 0.436 228 D N 1.902 122.357 120.400 0.092 0.000 2.619 228 D HA 0.003 4.636 4.640 -0.011 0.000 0.238 228 D C -1.089 175.199 176.300 -0.020 0.000 1.158 228 D CA 1.030 55.113 54.000 0.138 0.000 1.251 228 D CB -0.375 40.498 40.800 0.123 0.000 1.134 228 D HN 0.571 nan 8.370 nan 0.000 0.487 229 D N 0.144 120.529 120.400 -0.025 0.000 2.977 229 D HA 0.186 4.819 4.640 -0.011 0.000 0.220 229 D C -2.012 174.209 176.300 -0.132 0.000 1.267 229 D CA -1.324 52.560 54.000 -0.192 0.000 0.884 229 D CB 1.833 42.600 40.800 -0.054 0.000 1.667 229 D HN -0.134 nan 8.370 nan 0.000 0.536 230 P HA -0.158 nan 4.420 nan 0.000 0.220 230 P C 0.894 178.114 177.300 -0.132 0.000 1.148 230 P CA 1.082 64.117 63.100 -0.107 0.000 0.803 230 P CB 0.158 31.715 31.700 -0.239 0.000 0.782 231 H N -0.034 119.034 119.070 -0.003 0.000 2.363 231 H HA 0.117 4.666 4.556 -0.011 0.000 0.301 231 H C 2.069 177.402 175.328 0.008 0.000 1.074 231 H CA 1.513 57.562 56.048 0.002 0.000 1.354 231 H CB -0.661 29.089 29.762 -0.020 0.000 1.397 231 H HN 0.117 nan 8.280 nan 0.000 0.516 232 A N 1.287 124.171 122.820 0.106 0.000 1.930 232 A HA -0.054 4.260 4.320 -0.011 0.000 0.217 232 A C 2.614 180.205 177.584 0.012 0.000 1.175 232 A CA 0.612 52.675 52.037 0.044 0.000 0.627 232 A CB -0.704 18.312 19.000 0.027 0.000 0.815 232 A HN 0.266 nan 8.150 nan 0.000 0.443 233 L N -1.068 120.198 121.223 0.073 0.000 2.027 233 L HA -0.143 4.190 4.340 -0.011 0.000 0.206 233 L C 2.851 179.819 176.870 0.164 0.000 1.074 233 L CA 1.308 56.210 54.840 0.103 0.000 0.745 233 L CB -0.393 41.835 42.059 0.282 0.000 0.898 233 L HN 0.407 nan 8.230 nan 0.000 0.433 234 R N -0.614 119.975 120.500 0.149 0.000 2.091 234 R HA -0.200 4.134 4.340 -0.011 0.000 0.238 234 R C 2.214 178.579 176.300 0.108 0.000 1.136 234 R CA 1.515 57.697 56.100 0.136 0.000 0.959 234 R CB -0.288 30.052 30.300 0.065 0.000 0.856 234 R HN 0.422 nan 8.270 nan 0.000 0.437 235 A N 0.654 123.505 122.820 0.051 0.000 1.897 235 A HA -0.050 4.264 4.320 -0.011 0.000 0.215 235 A C 2.316 179.865 177.584 -0.058 0.000 1.181 235 A CA 1.425 53.467 52.037 0.007 0.000 0.620 235 A CB -0.547 18.454 19.000 0.001 0.000 0.821 235 A HN 0.410 nan 8.150 nan 0.000 0.443 236 A N -0.874 121.845 122.820 -0.169 0.000 1.892 236 A HA -0.115 4.198 4.320 -0.011 0.000 0.218 236 A C 2.011 179.392 177.584 -0.338 0.000 1.188 236 A CA 1.670 53.463 52.037 -0.406 0.000 0.631 236 A CB -0.861 17.627 19.000 -0.853 0.000 0.822 236 A HN 0.492 nan 8.150 nan 0.000 0.447 237 F N -0.189 119.665 119.950 -0.161 0.000 2.134 237 F HA -0.126 4.395 4.527 -0.011 0.000 0.299 237 F C 2.193 177.983 175.800 -0.017 0.000 1.097 237 F CA 1.507 59.497 58.000 -0.017 0.000 1.264 237 F CB -0.236 38.747 39.000 -0.029 0.000 1.001 237 F HN 0.132 nan 8.300 nan 0.000 0.479 238 I N -0.191 120.466 120.570 0.144 0.000 2.252 238 I HA -0.276 3.888 4.170 -0.011 0.000 0.245 238 I C 2.435 178.576 176.117 0.040 0.000 1.102 238 I CA 1.604 62.947 61.300 0.072 0.000 1.385 238 I CB -0.466 37.559 38.000 0.041 0.000 1.064 238 I HN 0.183 nan 8.210 nan 0.000 0.414 239 E N 1.433 121.639 120.200 0.010 0.000 2.072 239 E HA -0.223 4.121 4.350 -0.011 0.000 0.191 239 E C 2.238 178.850 176.600 0.021 0.000 0.985 239 E CA 1.347 57.745 56.400 -0.003 0.000 0.801 239 E CB -0.015 29.663 29.700 -0.036 0.000 0.750 239 E HN 0.452 nan 8.360 nan 0.000 0.452 240 A N 1.093 123.936 122.820 0.037 0.000 1.855 240 A HA -0.228 4.086 4.320 -0.011 0.000 0.215 240 A C 2.000 179.645 177.584 0.101 0.000 1.191 240 A CA 1.896 53.990 52.037 0.095 0.000 0.613 240 A CB -0.911 18.202 19.000 0.188 0.000 0.829 240 A HN 0.492 nan 8.150 nan 0.000 0.442 241 D N -0.184 120.286 120.400 0.116 0.000 2.178 241 D HA -0.153 4.481 4.640 -0.011 0.000 0.201 241 D C 2.069 178.391 176.300 0.037 0.000 0.980 241 D CA 1.903 55.953 54.000 0.083 0.000 0.842 241 D CB 0.004 40.853 40.800 0.081 0.000 0.948 241 D HN 0.484 nan 8.370 nan 0.000 0.472 242 S N -0.816 114.903 115.700 0.032 0.000 2.461 242 S HA -0.169 4.295 4.470 -0.011 0.000 0.228 242 S C 1.789 176.399 174.600 0.016 0.000 1.005 242 S CA 0.747 58.956 58.200 0.015 0.000 0.942 242 S CB -0.358 62.849 63.200 0.011 0.000 0.776 242 S HN 0.611 nan 8.310 nan 0.000 0.514 243 Q N 0.419 120.234 119.800 0.026 0.000 2.217 243 Q HA 0.624 4.958 4.340 -0.011 0.000 0.217 243 Q C 0.287 176.306 176.000 0.032 0.000 0.844 243 Q CA -0.005 55.813 55.803 0.025 0.000 0.957 243 Q CB 0.513 29.265 28.738 0.022 0.000 1.127 243 Q HN 0.516 nan 8.270 nan 0.000 0.503 244 A N 0.317 123.162 122.820 0.041 0.000 2.469 244 A HA 0.408 4.722 4.320 -0.011 0.000 0.299 244 A C -0.467 177.150 177.584 0.055 0.000 1.098 244 A CA -0.612 51.456 52.037 0.051 0.000 0.737 244 A CB 1.417 20.457 19.000 0.067 0.000 1.312 244 A HN 0.163 nan 8.150 nan 0.000 0.414 245 D N -0.334 120.107 120.400 0.070 0.000 2.289 245 D HA 0.128 4.761 4.640 -0.011 0.000 0.207 245 D C -0.006 176.383 176.300 0.149 0.000 0.966 245 D CA 1.440 55.499 54.000 0.098 0.000 0.868 245 D CB 0.486 41.356 40.800 0.117 0.000 0.943 245 D HN 0.201 nan 8.370 nan 0.000 0.514 246 V N 0.860 120.855 119.914 0.134 0.000 2.851 246 V HA 0.270 4.384 4.120 -0.011 0.000 0.307 246 V C -0.541 175.627 176.094 0.124 0.000 1.129 246 V CA -0.860 61.537 62.300 0.161 0.000 0.932 246 V CB 3.091 35.002 31.823 0.147 0.000 1.024 246 V HN -0.292 nan 8.190 nan 0.000 0.426 247 V N 5.426 125.428 119.914 0.147 0.000 2.444 247 V HA 0.575 4.689 4.120 -0.011 0.000 0.294 247 V C -0.490 175.616 176.094 0.020 0.000 1.022 247 V CA -0.372 62.022 62.300 0.157 0.000 0.850 247 V CB 1.817 33.853 31.823 0.355 0.000 0.992 247 V HN 0.694 nan 8.190 nan 0.000 0.426 248 I N 3.459 123.961 120.570 -0.113 0.000 2.406 248 I HA 0.414 4.577 4.170 -0.011 0.000 0.290 248 I C 0.180 176.040 176.117 -0.428 0.000 0.999 248 I CA -0.286 60.863 61.300 -0.251 0.000 1.124 248 I CB 2.115 40.052 38.000 -0.106 0.000 1.289 248 I HN 0.618 nan 8.210 nan 0.000 0.441 249 S N 3.600 119.053 115.700 -0.413 0.000 2.422 249 S HA 0.186 4.650 4.470 -0.011 0.000 0.298 249 S C 1.050 175.547 174.600 -0.172 0.000 1.118 249 S CA -0.498 57.460 58.200 -0.403 0.000 1.083 249 S CB 0.931 64.055 63.200 -0.127 0.000 0.971 249 S HN 0.729 nan 8.310 nan 0.000 0.478 250 S N 3.495 119.117 115.700 -0.131 0.000 2.527 250 S HA 0.410 4.873 4.470 -0.011 0.000 0.222 250 S C 0.896 175.509 174.600 0.022 0.000 0.985 250 S CA 0.107 58.288 58.200 -0.032 0.000 0.921 250 S CB -0.191 62.990 63.200 -0.032 0.000 0.772 250 S HN 1.292 nan 8.310 nan 0.000 0.529 251 G N -1.833 106.985 108.800 0.031 0.000 2.503 251 G HA2 0.524 4.478 3.960 -0.011 0.000 0.305 251 G HA3 0.524 4.478 3.960 -0.011 0.000 0.305 251 G C 0.241 175.192 174.900 0.085 0.000 1.575 251 G CA -0.224 44.916 45.100 0.068 0.000 0.890 251 G HN 1.105 nan 8.290 nan 0.000 0.612 252 G N -0.885 107.971 108.800 0.094 0.000 2.259 252 G HA2 -0.062 3.892 3.960 -0.011 0.000 0.217 252 G HA3 -0.062 3.892 3.960 -0.011 0.000 0.217 252 G C 0.488 175.446 174.900 0.096 0.000 1.001 252 G CA 0.463 45.620 45.100 0.096 0.000 0.627 252 G HN 1.659 nan 8.290 nan 0.000 0.501 253 V N 1.988 121.986 119.914 0.140 0.000 2.649 253 V HA 0.610 4.724 4.120 -0.011 0.000 0.292 253 V C 1.354 177.535 176.094 0.144 0.000 1.055 253 V CA 0.378 62.776 62.300 0.165 0.000 1.023 253 V CB 1.606 33.625 31.823 0.325 0.000 0.992 253 V HN 0.731 nan 8.190 nan 0.000 0.480 254 S N 2.911 118.665 115.700 0.090 0.000 2.552 254 S HA 0.066 4.530 4.470 -0.011 0.000 0.289 254 S C 0.648 175.397 174.600 0.248 0.000 1.304 254 S CA -0.069 58.181 58.200 0.083 0.000 1.063 254 S CB 0.794 63.966 63.200 -0.046 0.000 0.848 254 S HN 1.027 nan 8.310 nan 0.000 0.499 255 V N 2.501 122.540 119.914 0.207 0.000 3.271 255 V HA 0.674 4.788 4.120 -0.011 0.000 0.327 255 V C 1.150 177.411 176.094 0.279 0.000 1.389 255 V CA 0.501 62.999 62.300 0.330 0.000 1.156 255 V CB -0.410 31.551 31.823 0.230 0.000 1.103 255 V HN 1.068 nan 8.190 nan 0.000 0.453 256 G N 0.132 108.861 108.800 -0.119 0.000 3.758 256 G HA2 -0.048 3.906 3.960 -0.011 0.000 0.206 256 G HA3 -0.048 3.906 3.960 -0.011 0.000 0.206 256 G C -0.073 174.596 174.900 -0.384 0.000 0.946 256 G CA -0.189 44.677 45.100 -0.391 0.000 0.885 256 G HN 0.415 nan 8.290 nan 0.000 0.392 257 E N 1.557 121.636 120.200 -0.203 0.000 2.316 257 E HA 0.632 4.975 4.350 -0.011 0.000 0.275 257 E C 0.549 177.051 176.600 -0.162 0.000 1.029 257 E CA 0.447 56.764 56.400 -0.138 0.000 0.871 257 E CB 1.272 30.936 29.700 -0.060 0.000 1.022 257 E HN 0.579 nan 8.360 nan 0.000 0.418 258 A N 4.731 127.470 122.820 -0.136 0.000 2.450 258 A HA 0.444 4.758 4.320 -0.011 0.000 0.255 258 A C -0.421 177.115 177.584 -0.079 0.000 1.096 258 A CA -0.001 51.962 52.037 -0.123 0.000 0.778 258 A CB 0.044 18.990 19.000 -0.090 0.000 1.031 258 A HN 0.722 nan 8.150 nan 0.000 0.494 259 D N 0.353 120.703 120.400 -0.084 0.000 2.879 259 D HA 0.052 4.685 4.640 -0.011 0.000 0.346 259 D C 0.234 176.504 176.300 -0.050 0.000 1.390 259 D CA 0.091 54.066 54.000 -0.041 0.000 0.838 259 D CB -0.414 40.351 40.800 -0.059 0.000 1.416 259 D HN 0.455 nan 8.370 nan 0.000 0.493 260 Y N -0.975 119.315 120.300 -0.016 0.000 2.352 260 Y HA -0.024 4.519 4.550 -0.011 0.000 0.292 260 Y C 2.115 178.005 175.900 -0.015 0.000 1.136 260 Y CA 1.994 60.079 58.100 -0.025 0.000 1.227 260 Y CB -1.167 37.276 38.460 -0.028 0.000 0.991 260 Y HN 0.469 nan 8.280 nan 0.000 0.545 261 T N -1.360 112.744 114.554 -0.750 0.000 2.812 261 T HA -0.176 4.168 4.350 -0.011 0.000 0.264 261 T C 1.839 176.431 174.700 -0.179 0.000 1.042 261 T CA 1.459 63.288 62.100 -0.452 0.000 1.140 261 T CB -0.451 68.162 68.868 -0.425 0.000 0.870 261 T HN 0.456 nan 8.240 nan 0.000 0.445 262 K N 1.001 121.308 120.400 -0.154 0.000 2.147 262 K HA -0.122 4.191 4.320 -0.011 0.000 0.205 262 K C 2.571 179.131 176.600 -0.066 0.000 1.049 262 K CA 1.759 57.992 56.287 -0.089 0.000 0.936 262 K CB -0.453 31.936 32.500 -0.185 0.000 0.722 262 K HN 0.608 nan 8.250 nan 0.000 0.446 263 T N -0.990 113.521 114.554 -0.072 0.000 2.896 263 T HA -0.049 4.294 4.350 -0.011 0.000 0.263 263 T C 1.911 176.562 174.700 -0.082 0.000 1.050 263 T CA 0.939 63.007 62.100 -0.053 0.000 1.140 263 T CB -0.252 68.602 68.868 -0.024 0.000 0.877 263 T HN 0.186 nan 8.240 nan 0.000 0.457 264 I N 1.077 121.589 120.570 -0.096 0.000 2.127 264 I HA -0.117 4.047 4.170 -0.011 0.000 0.241 264 I C 2.673 178.598 176.117 -0.319 0.000 1.075 264 I CA 1.341 62.544 61.300 -0.162 0.000 1.334 264 I CB -0.427 37.506 38.000 -0.113 0.000 1.040 264 I HN 0.239 nan 8.210 nan 0.000 0.405 265 L N 0.144 121.144 121.223 -0.371 0.000 2.051 265 L HA -0.301 4.032 4.340 -0.011 0.000 0.214 265 L C 2.382 179.081 176.870 -0.286 0.000 1.076 265 L CA 1.764 56.330 54.840 -0.456 0.000 0.758 265 L CB -0.550 41.349 42.059 -0.268 0.000 0.890 265 L HN 0.344 nan 8.230 nan 0.000 0.433 266 E N -0.982 119.133 120.200 -0.142 0.000 2.358 266 E HA -0.186 4.157 4.350 -0.011 0.000 0.195 266 E C 1.943 178.474 176.600 -0.115 0.000 1.010 266 E CA 0.322 56.669 56.400 -0.089 0.000 0.856 266 E CB 0.193 29.881 29.700 -0.020 0.000 0.795 266 E HN 0.392 nan 8.360 nan 0.000 0.504 267 E N 0.208 120.323 120.200 -0.141 0.000 2.299 267 E HA -0.052 4.292 4.350 -0.011 0.000 0.193 267 E C 1.538 178.042 176.600 -0.159 0.000 0.998 267 E CA 0.361 56.686 56.400 -0.126 0.000 0.851 267 E CB 0.348 29.985 29.700 -0.105 0.000 0.795 267 E HN 0.252 nan 8.360 nan 0.000 0.492 268 L N -0.509 120.569 121.223 -0.243 0.000 2.590 268 L HA 0.337 4.671 4.340 -0.011 0.000 0.227 268 L C 0.956 177.678 176.870 -0.246 0.000 1.099 268 L CA 0.181 54.869 54.840 -0.253 0.000 0.872 268 L CB 1.033 42.882 42.059 -0.350 0.000 1.088 268 L HN 0.042 nan 8.230 nan 0.000 0.479 269 G N -0.877 107.770 108.800 -0.255 0.000 2.550 269 G HA2 0.346 4.300 3.960 -0.011 0.000 0.293 269 G HA3 0.346 4.300 3.960 -0.011 0.000 0.293 269 G C -1.562 173.217 174.900 -0.201 0.000 1.402 269 G CA -0.520 44.442 45.100 -0.231 0.000 0.784 269 G HN -0.206 nan 8.290 nan 0.000 0.482 270 E N 0.447 120.539 120.200 -0.180 0.000 1.993 270 E HA 0.475 4.819 4.350 -0.011 0.000 0.271 270 E C -0.643 175.846 176.600 -0.184 0.000 1.008 270 E CA -0.280 56.038 56.400 -0.136 0.000 0.814 270 E CB 1.121 30.769 29.700 -0.087 0.000 1.098 270 E HN 0.305 nan 8.360 nan 0.000 0.407 271 I N 1.700 122.127 120.570 -0.239 0.000 2.406 271 I HA 0.382 4.546 4.170 -0.011 0.000 0.290 271 I C 0.130 175.935 176.117 -0.519 0.000 0.999 271 I CA -0.702 60.353 61.300 -0.409 0.000 1.124 271 I CB 1.940 39.614 38.000 -0.543 0.000 1.289 271 I HN 0.313 nan 8.210 nan 0.000 0.441 272 A N 6.195 128.694 122.820 -0.534 0.000 2.310 272 A HA 0.743 5.056 4.320 -0.011 0.000 0.299 272 A C -0.955 176.148 177.584 -0.803 0.000 1.147 272 A CA -0.164 51.587 52.037 -0.477 0.000 0.818 272 A CB 0.099 18.909 19.000 -0.317 0.000 1.096 272 A HN 0.522 nan 8.150 nan 0.000 0.495 273 F N 2.471 122.345 119.950 -0.126 0.000 2.366 273 F HA 0.362 4.883 4.527 -0.011 0.000 0.366 273 F C -0.418 175.489 175.800 0.179 0.000 1.096 273 F CA -0.355 57.622 58.000 -0.040 0.000 1.060 273 F CB 0.992 40.003 39.000 0.019 0.000 1.282 273 F HN 0.537 nan 8.300 nan 0.000 0.450 274 W N 3.011 124.459 121.300 0.245 0.000 2.448 274 W HA 0.489 5.142 4.660 -0.011 0.000 0.339 274 W C -0.296 176.342 176.519 0.199 0.000 1.124 274 W CA -1.546 55.924 57.345 0.208 0.000 1.262 274 W CB 1.011 30.598 29.460 0.212 0.000 1.251 274 W HN 0.214 nan 8.180 nan 0.000 0.597 275 K N 3.191 123.815 120.400 0.373 0.000 2.521 275 K HA 0.352 4.666 4.320 -0.011 0.000 0.248 275 K C -0.904 175.797 176.600 0.167 0.000 0.978 275 K CA -1.088 55.341 56.287 0.237 0.000 0.947 275 K CB 1.592 34.195 32.500 0.172 0.000 1.165 275 K HN 0.015 nan 8.250 nan 0.000 0.445 276 L N 1.891 123.213 121.223 0.164 0.000 2.326 276 L HA 0.242 4.576 4.340 -0.011 0.000 0.278 276 L C 0.732 177.641 176.870 0.066 0.000 1.092 276 L CA -0.060 54.837 54.840 0.095 0.000 0.810 276 L CB 1.149 43.263 42.059 0.092 0.000 1.153 276 L HN 0.734 nan 8.230 nan 0.000 0.439 277 A N 6.408 129.250 122.820 0.036 0.000 3.074 277 A HA 0.402 4.716 4.320 -0.011 0.000 0.251 277 A C 0.195 177.810 177.584 0.052 0.000 1.695 277 A CA -0.155 51.903 52.037 0.035 0.000 1.343 277 A CB -1.352 17.655 19.000 0.012 0.000 1.078 277 A HN 0.622 nan 8.150 nan 0.000 0.644 278 I N -3.454 117.160 120.570 0.073 0.000 3.108 278 I HA 0.805 4.968 4.170 -0.011 0.000 0.312 278 I C -0.920 175.260 176.117 0.105 0.000 1.095 278 I CA -1.224 60.146 61.300 0.117 0.000 1.000 278 I CB 2.179 40.254 38.000 0.126 0.000 1.229 278 I HN 0.222 nan 8.210 nan 0.000 0.454 279 Q N 3.129 123.013 119.800 0.140 0.000 2.320 279 Q HA 0.560 4.894 4.340 -0.011 0.000 0.272 279 Q C -2.906 173.175 176.000 0.135 0.000 1.023 279 Q CA -1.640 54.227 55.803 0.107 0.000 0.855 279 Q CB 3.252 32.033 28.738 0.072 0.000 1.367 279 Q HN 0.493 nan 8.270 nan 0.000 0.406 280 P HA 0.377 nan 4.420 nan 0.000 0.277 280 P C 0.186 177.535 177.300 0.081 0.000 1.276 280 P CA 0.973 64.125 63.100 0.087 0.000 0.788 280 P CB 0.405 32.160 31.700 0.091 0.000 1.114 281 G N -0.487 108.369 108.800 0.094 0.000 2.782 281 G HA2 -0.177 3.777 3.960 -0.011 0.000 0.228 281 G HA3 -0.177 3.777 3.960 -0.011 0.000 0.228 281 G C -0.004 174.954 174.900 0.098 0.000 1.372 281 G CA 0.627 45.786 45.100 0.098 0.000 0.862 281 G HN 0.907 nan 8.290 nan 0.000 0.547 282 K N -1.790 118.681 120.400 0.118 0.000 3.070 282 K HA 0.110 4.424 4.320 -0.011 0.000 0.218 282 K C -2.427 174.289 176.600 0.192 0.000 2.314 282 K CA 0.607 56.973 56.287 0.131 0.000 1.503 282 K CB -0.184 32.386 32.500 0.116 0.000 2.593 282 K HN 0.620 nan 8.250 nan 0.000 0.546 283 P HA 0.249 nan 4.420 nan 0.000 0.278 283 P C -1.172 176.358 177.300 0.383 0.000 1.238 283 P CA 0.158 63.423 63.100 0.275 0.000 0.794 283 P CB 0.564 32.396 31.700 0.219 0.000 0.955 284 F N 1.279 121.346 119.950 0.195 0.000 2.623 284 F HA 0.546 5.066 4.527 -0.011 0.000 0.323 284 F C -1.589 174.245 175.800 0.056 0.000 1.158 284 F CA -0.745 57.335 58.000 0.133 0.000 1.030 284 F CB 1.311 40.405 39.000 0.157 0.000 1.280 284 F HN 0.444 nan 8.300 nan 0.000 0.474 285 A N 5.756 128.249 122.820 -0.546 0.000 2.290 285 A HA 0.767 5.081 4.320 -0.011 0.000 0.310 285 A C -1.854 175.127 177.584 -1.005 0.000 1.202 285 A CA -0.354 51.295 52.037 -0.647 0.000 0.837 285 A CB 0.438 19.313 19.000 -0.208 0.000 1.139 285 A HN 0.845 nan 8.150 nan 0.000 0.509 286 F N 1.529 120.861 119.950 -1.028 0.000 2.608 286 F HA 0.687 5.208 4.527 -0.011 0.000 0.309 286 F C 0.033 175.559 175.800 -0.458 0.000 1.103 286 F CA 0.595 58.118 58.000 -0.795 0.000 0.954 286 F CB 1.925 40.373 39.000 -0.920 0.000 1.267 286 F HN 1.143 nan 8.300 nan 0.000 0.444 287 G N 4.022 112.188 108.800 -1.056 0.000 2.338 287 G HA2 0.256 4.210 3.960 -0.011 0.000 0.295 287 G HA3 0.256 4.210 3.960 -0.011 0.000 0.295 287 G C -2.370 172.314 174.900 -0.360 0.000 1.461 287 G CA -1.108 43.673 45.100 -0.532 0.000 0.817 287 G HN 0.598 nan 8.290 nan 0.000 0.556 288 K N 0.798 121.016 120.400 -0.303 0.000 2.248 288 K HA 0.515 4.829 4.320 -0.011 0.000 0.281 288 K C 0.347 176.747 176.600 -0.332 0.000 1.054 288 K CA -0.381 55.624 56.287 -0.470 0.000 0.903 288 K CB 0.949 33.119 32.500 -0.551 0.000 1.077 288 K HN 0.393 nan 8.250 nan 0.000 0.474 289 L N 0.970 122.015 121.223 -0.297 0.000 2.744 289 L HA 0.146 4.480 4.340 -0.011 0.000 0.218 289 L C 1.929 178.666 176.870 -0.221 0.000 1.190 289 L CA -0.277 54.433 54.840 -0.217 0.000 0.869 289 L CB 0.300 42.288 42.059 -0.119 0.000 1.652 289 L HN 0.640 nan 8.230 nan 0.000 0.519 290 S N -0.086 115.520 115.700 -0.157 0.000 2.355 290 S HA -0.065 4.398 4.470 -0.011 0.000 0.222 290 S C 0.972 175.479 174.600 -0.156 0.000 1.031 290 S CA 1.209 59.325 58.200 -0.140 0.000 0.993 290 S CB -0.136 63.008 63.200 -0.093 0.000 0.859 290 S HN 0.562 nan 8.310 nan 0.000 0.453 291 N N 0.748 119.365 118.700 -0.139 0.000 2.241 291 N HA 0.196 4.929 4.740 -0.011 0.000 0.238 291 N C -0.637 174.779 175.510 -0.158 0.000 1.244 291 N CA 0.139 53.110 53.050 -0.132 0.000 0.880 291 N CB 1.177 39.622 38.487 -0.070 0.000 1.179 291 N HN 0.420 nan 8.380 nan 0.000 0.513 292 S N -1.085 114.475 115.700 -0.234 0.000 2.615 292 S HA 0.547 5.011 4.470 -0.011 0.000 0.269 292 S C -1.775 172.614 174.600 -0.352 0.000 1.161 292 S CA -0.937 57.140 58.200 -0.205 0.000 0.817 292 S CB 1.217 64.408 63.200 -0.014 0.000 1.131 292 S HN 0.165 nan 8.310 nan 0.000 0.467 293 W N 1.049 122.337 121.300 -0.020 0.000 2.417 293 W HA 0.676 5.329 4.660 -0.011 0.000 0.317 293 W C -0.475 176.016 176.519 -0.046 0.000 1.121 293 W CA -0.512 56.772 57.345 -0.103 0.000 1.208 293 W CB 1.047 30.469 29.460 -0.064 0.000 1.253 293 W HN 0.613 nan 8.180 nan 0.000 0.533 294 F N 3.534 123.433 119.950 -0.086 0.000 2.469 294 F HA 0.655 5.176 4.527 -0.011 0.000 0.332 294 F C -0.768 174.928 175.800 -0.173 0.000 1.103 294 F CA -1.341 56.600 58.000 -0.099 0.000 0.979 294 F CB 0.763 39.691 39.000 -0.120 0.000 1.137 294 F HN 0.202 nan 8.300 nan 0.000 0.463 295 C N 4.381 123.040 119.300 -1.068 0.000 2.364 295 C HA 0.773 5.226 4.460 -0.011 0.000 0.324 295 C C 0.359 174.591 174.990 -1.263 0.000 1.234 295 C CA -0.928 57.546 59.018 -0.907 0.000 1.417 295 C CB 0.534 28.181 27.740 -0.154 0.000 2.101 295 C HN 1.084 nan 8.230 nan 0.000 0.466 296 G N 3.490 111.634 108.800 -1.093 0.000 2.422 296 G HA2 0.657 4.610 3.960 -0.011 0.000 0.317 296 G HA3 0.657 4.610 3.960 -0.011 0.000 0.317 296 G C -0.906 173.921 174.900 -0.123 0.000 1.210 296 G CA -0.274 44.539 45.100 -0.479 0.000 0.930 296 G HN 0.685 nan 8.290 nan 0.000 0.468 297 L N 3.411 124.656 121.223 0.037 0.000 2.334 297 L HA 0.518 4.852 4.340 -0.011 0.000 0.272 297 L C -1.797 175.170 176.870 0.161 0.000 1.020 297 L CA -2.164 52.783 54.840 0.178 0.000 0.812 297 L CB 2.631 44.788 42.059 0.162 0.000 1.264 297 L HN 0.343 nan 8.230 nan 0.000 0.439 298 P HA 0.073 nan 4.420 nan 0.000 0.274 298 P C 0.349 177.729 177.300 0.132 0.000 1.246 298 P CA -0.294 62.899 63.100 0.156 0.000 0.795 298 P CB 0.867 32.665 31.700 0.163 0.000 1.006 299 G N 0.942 109.812 108.800 0.117 0.000 2.421 299 G HA2 -0.158 3.796 3.960 -0.011 0.000 0.217 299 G HA3 -0.158 3.796 3.960 -0.011 0.000 0.217 299 G C 0.727 175.695 174.900 0.113 0.000 1.143 299 G CA 0.158 45.320 45.100 0.103 0.000 0.784 299 G HN 0.621 nan 8.290 nan 0.000 0.541 300 N N 1.162 119.939 118.700 0.127 0.000 2.440 300 N HA 0.166 4.899 4.740 -0.011 0.000 0.265 300 N C -1.243 174.375 175.510 0.181 0.000 1.239 300 N CA -1.105 52.034 53.050 0.148 0.000 0.909 300 N CB 1.388 39.965 38.487 0.150 0.000 1.066 300 N HN -0.125 nan 8.380 nan 0.000 0.474 301 P HA -0.249 nan 4.420 nan 0.000 0.215 301 P C 1.197 178.744 177.300 0.412 0.000 1.163 301 P CA 1.004 64.273 63.100 0.283 0.000 0.894 301 P CB 0.185 32.060 31.700 0.292 0.000 0.791 302 V N -0.275 119.884 119.914 0.408 0.000 2.237 302 V HA -0.257 3.857 4.120 -0.011 0.000 0.245 302 V C 2.388 178.657 176.094 0.291 0.000 1.046 302 V CA 2.555 65.090 62.300 0.391 0.000 1.007 302 V CB -1.545 30.428 31.823 0.250 0.000 0.638 302 V HN 0.153 nan 8.190 nan 0.000 0.445 303 S N 0.416 116.243 115.700 0.212 0.000 2.374 303 S HA -0.258 4.205 4.470 -0.011 0.000 0.227 303 S C 2.168 176.863 174.600 0.158 0.000 1.037 303 S CA 1.620 59.916 58.200 0.160 0.000 1.024 303 S CB -0.617 62.670 63.200 0.146 0.000 0.861 303 S HN 0.674 nan 8.310 nan 0.000 0.456 304 A N 1.486 124.415 122.820 0.181 0.000 1.855 304 A HA -0.094 4.220 4.320 -0.011 0.000 0.215 304 A C 2.391 180.091 177.584 0.193 0.000 1.191 304 A CA 1.996 54.138 52.037 0.175 0.000 0.613 304 A CB -1.448 17.643 19.000 0.152 0.000 0.829 304 A HN 0.473 nan 8.150 nan 0.000 0.442 305 T N 0.611 115.278 114.554 0.188 0.000 2.652 305 T HA -0.151 4.193 4.350 -0.011 0.000 0.267 305 T C 1.873 176.709 174.700 0.226 0.000 1.039 305 T CA 1.423 63.624 62.100 0.169 0.000 1.153 305 T CB -0.383 68.472 68.868 -0.022 0.000 0.863 305 T HN 0.293 nan 8.240 nan 0.000 0.428 306 L N 1.203 122.525 121.223 0.166 0.000 2.017 306 L HA -0.109 4.225 4.340 -0.011 0.000 0.208 306 L C 2.306 179.155 176.870 -0.035 0.000 1.073 306 L CA 2.040 56.912 54.840 0.053 0.000 0.745 306 L CB -1.650 40.403 42.059 -0.010 0.000 0.894 306 L HN 0.297 nan 8.230 nan 0.000 0.432 307 T N 0.137 114.684 114.554 -0.011 0.000 2.708 307 T HA -0.235 4.109 4.350 -0.011 0.000 0.266 307 T C 1.640 176.270 174.700 -0.117 0.000 1.037 307 T CA 1.687 63.712 62.100 -0.125 0.000 1.146 307 T CB -0.600 68.231 68.868 -0.061 0.000 0.865 307 T HN 0.407 nan 8.240 nan 0.000 0.435 308 F N 0.857 120.778 119.950 -0.047 0.000 2.065 308 F HA -0.234 4.286 4.527 -0.011 0.000 0.298 308 F C 2.182 177.960 175.800 -0.037 0.000 1.112 308 F CA 1.395 59.379 58.000 -0.026 0.000 1.212 308 F CB -0.540 38.472 39.000 0.022 0.000 0.975 308 F HN 0.192 nan 8.300 nan 0.000 0.476 309 Y N 0.404 120.717 120.300 0.023 0.000 2.242 309 Y HA -0.191 4.353 4.550 -0.011 0.000 0.291 309 Y C 2.318 178.095 175.900 -0.205 0.000 1.137 309 Y CA 1.663 59.758 58.100 -0.008 0.000 1.181 309 Y CB -0.166 38.403 38.460 0.181 0.000 0.989 309 Y HN 0.117 nan 8.280 nan 0.000 0.527 310 Q N -0.628 119.125 119.800 -0.079 0.000 2.376 310 Q HA 0.090 4.423 4.340 -0.011 0.000 0.206 310 Q C 1.857 177.674 176.000 -0.305 0.000 0.921 310 Q CA 0.883 56.552 55.803 -0.223 0.000 0.911 310 Q CB 0.613 29.079 28.738 -0.454 0.000 1.032 310 Q HN 0.532 nan 8.270 nan 0.000 0.510 311 L N -1.473 119.512 121.223 -0.396 0.000 2.519 311 L HA 0.077 4.410 4.340 -0.011 0.000 0.194 311 L C 2.106 178.738 176.870 -0.398 0.000 1.072 311 L CA 0.183 54.764 54.840 -0.432 0.000 0.845 311 L CB -0.086 41.562 42.059 -0.684 0.000 1.138 311 L HN -0.148 nan 8.230 nan 0.000 0.487 312 V N 0.281 119.907 119.914 -0.479 0.000 2.358 312 V HA -0.299 3.815 4.120 -0.011 0.000 0.246 312 V C 2.405 178.163 176.094 -0.560 0.000 1.047 312 V CA 2.067 64.082 62.300 -0.475 0.000 1.035 312 V CB -0.485 30.957 31.823 -0.636 0.000 0.658 312 V HN 0.500 nan 8.190 nan 0.000 0.452 313 Q N 0.304 119.656 119.800 -0.748 0.000 2.030 313 Q HA -0.208 4.126 4.340 -0.011 0.000 0.204 313 Q C -0.096 175.702 176.000 -0.337 0.000 0.986 313 Q CA 2.516 57.983 55.803 -0.560 0.000 0.843 313 Q CB -0.991 27.396 28.738 -0.585 0.000 0.904 313 Q HN 0.483 nan 8.270 nan 0.000 0.420 314 P HA -0.147 nan 4.420 nan 0.000 0.218 314 P C 1.283 178.470 177.300 -0.190 0.000 1.149 314 P CA 0.900 63.873 63.100 -0.211 0.000 0.817 314 P CB -0.136 31.447 31.700 -0.195 0.000 0.785 315 L N -0.779 120.317 121.223 -0.212 0.000 2.017 315 L HA -0.145 4.189 4.340 -0.011 0.000 0.208 315 L C 2.105 178.891 176.870 -0.140 0.000 1.073 315 L CA 1.869 56.600 54.840 -0.181 0.000 0.745 315 L CB -1.393 40.570 42.059 -0.159 0.000 0.894 315 L HN -0.137 nan 8.230 nan 0.000 0.432 316 L N -0.400 120.739 121.223 -0.140 0.000 2.131 316 L HA -0.171 4.163 4.340 -0.011 0.000 0.210 316 L C 2.704 179.527 176.870 -0.078 0.000 1.092 316 L CA 1.076 55.863 54.840 -0.088 0.000 0.759 316 L CB -0.984 41.023 42.059 -0.087 0.000 0.903 316 L HN 0.431 nan 8.230 nan 0.000 0.435 317 A N 0.165 122.923 122.820 -0.104 0.000 1.873 317 A HA -0.249 4.064 4.320 -0.011 0.000 0.215 317 A C 2.402 179.944 177.584 -0.070 0.000 1.186 317 A CA 1.912 53.898 52.037 -0.086 0.000 0.616 317 A CB -0.422 18.518 19.000 -0.101 0.000 0.823 317 A HN 0.305 nan 8.150 nan 0.000 0.442 318 K N -0.468 119.883 120.400 -0.081 0.000 2.097 318 K HA -0.020 4.294 4.320 -0.011 0.000 0.206 318 K C 1.880 178.453 176.600 -0.043 0.000 1.049 318 K CA 1.139 57.386 56.287 -0.067 0.000 0.933 318 K CB -0.265 32.184 32.500 -0.086 0.000 0.717 318 K HN 0.461 nan 8.250 nan 0.000 0.442 319 L N 0.871 122.069 121.223 -0.042 0.000 2.131 319 L HA -0.154 4.180 4.340 -0.011 0.000 0.210 319 L C 2.398 179.274 176.870 0.010 0.000 1.092 319 L CA 1.579 56.419 54.840 -0.000 0.000 0.759 319 L CB -0.366 41.705 42.059 0.019 0.000 0.903 319 L HN 0.388 nan 8.230 nan 0.000 0.435 320 S N -1.191 114.504 115.700 -0.009 0.000 2.481 320 S HA 0.003 4.467 4.470 -0.011 0.000 0.231 320 S C 1.500 176.095 174.600 -0.008 0.000 0.996 320 S CA 0.794 58.990 58.200 -0.007 0.000 0.942 320 S CB 0.380 63.568 63.200 -0.020 0.000 0.768 320 S HN 0.571 nan 8.310 nan 0.000 0.520 321 G N 0.969 109.762 108.800 -0.012 0.000 2.184 321 G HA2 -0.217 3.737 3.960 -0.011 0.000 0.206 321 G HA3 -0.217 3.737 3.960 -0.011 0.000 0.206 321 G C -0.138 174.751 174.900 -0.020 0.000 0.995 321 G CA -0.098 44.996 45.100 -0.009 0.000 0.651 321 G HN 0.621 nan 8.290 nan 0.000 0.511 322 N N 1.569 120.251 118.700 -0.030 0.000 2.468 322 N HA 0.300 5.034 4.740 -0.011 0.000 0.265 322 N C 1.588 177.078 175.510 -0.033 0.000 1.199 322 N CA 1.040 54.068 53.050 -0.038 0.000 0.928 322 N CB 1.026 39.484 38.487 -0.048 0.000 1.059 322 N HN 0.441 nan 8.380 nan 0.000 0.467 323 T N 0.048 114.585 114.554 -0.027 0.000 3.122 323 T HA 0.304 4.648 4.350 -0.011 0.000 0.250 323 T C 0.651 175.338 174.700 -0.022 0.000 1.067 323 T CA -0.442 61.646 62.100 -0.021 0.000 0.966 323 T CB -0.038 68.824 68.868 -0.011 0.000 1.002 323 T HN 0.491 nan 8.240 nan 0.000 0.542 324 A N 2.567 125.370 122.820 -0.029 0.000 2.475 324 A HA 0.539 4.853 4.320 -0.011 0.000 0.293 324 A C 0.817 178.384 177.584 -0.028 0.000 1.252 324 A CA -0.645 51.377 52.037 -0.026 0.000 0.920 324 A CB -0.467 18.513 19.000 -0.033 0.000 1.125 324 A HN 0.632 nan 8.150 nan 0.000 0.528 325 S N 2.168 117.855 115.700 -0.022 0.000 2.610 325 S HA 0.809 5.273 4.470 -0.011 0.000 0.273 325 S C 0.484 175.072 174.600 -0.020 0.000 1.274 325 S CA -0.014 58.172 58.200 -0.024 0.000 1.023 325 S CB 1.178 64.367 63.200 -0.020 0.000 0.962 325 S HN 2.463 nan 8.310 nan 0.000 0.523 326 G N 0.324 109.110 108.800 -0.023 0.000 2.629 326 G HA2 0.164 4.117 3.960 -0.011 0.000 0.686 326 G HA3 0.164 4.117 3.960 -0.011 0.000 0.686 326 G C -1.576 173.315 174.900 -0.016 0.000 1.232 326 G CA -0.840 44.251 45.100 -0.016 0.000 0.803 326 G HN 0.770 nan 8.290 nan 0.000 0.638 327 L N 1.487 122.707 121.223 -0.004 0.000 2.322 327 L HA 0.756 5.089 4.340 -0.011 0.000 0.269 327 L C -1.344 175.550 176.870 0.041 0.000 1.012 327 L CA -1.891 52.953 54.840 0.007 0.000 0.815 327 L CB 0.542 42.606 42.059 0.010 0.000 1.295 327 L HN 0.647 nan 8.230 nan 0.000 0.438 328 P HA 0.012 nan 4.420 nan 0.000 0.270 328 P C -0.996 176.380 177.300 0.127 0.000 1.167 328 P CA 0.059 63.231 63.100 0.120 0.000 0.759 328 P CB 0.189 32.013 31.700 0.206 0.000 0.777 329 A N 3.670 126.564 122.820 0.125 0.000 2.320 329 A HA 0.367 4.680 4.320 -0.011 0.000 0.287 329 A C 0.413 178.059 177.584 0.102 0.000 1.181 329 A CA -0.417 51.675 52.037 0.092 0.000 0.831 329 A CB 0.241 19.286 19.000 0.075 0.000 1.102 329 A HN 0.426 nan 8.150 nan 0.000 0.513 330 R N 1.552 122.098 120.500 0.076 0.000 2.668 330 R HA 0.537 4.870 4.340 -0.011 0.000 0.279 330 R C -0.758 175.564 176.300 0.036 0.000 0.976 330 R CA -0.525 55.617 56.100 0.069 0.000 0.978 330 R CB 1.678 32.013 30.300 0.059 0.000 1.133 330 R HN 0.935 nan 8.270 nan 0.000 0.484 331 Q N 0.950 120.769 119.800 0.032 0.000 2.389 331 Q HA 0.415 4.749 4.340 -0.011 0.000 0.277 331 Q C -0.968 175.035 176.000 0.006 0.000 1.082 331 Q CA -1.122 54.686 55.803 0.008 0.000 0.810 331 Q CB 2.412 31.159 28.738 0.015 0.000 1.374 331 Q HN 0.397 nan 8.270 nan 0.000 0.422 332 R N 1.373 121.849 120.500 -0.039 0.000 2.316 332 R HA 0.473 4.807 4.340 -0.011 0.000 0.314 332 R C -1.326 175.031 176.300 0.095 0.000 1.069 332 R CA -0.038 56.033 56.100 -0.048 0.000 0.959 332 R CB 0.605 30.727 30.300 -0.295 0.000 0.987 332 R HN 0.538 nan 8.270 nan 0.000 0.446 333 V N 4.649 124.716 119.914 0.255 0.000 3.114 333 V HA 0.413 4.526 4.120 -0.011 0.000 0.308 333 V C -0.569 175.726 176.094 0.335 0.000 1.168 333 V CA -0.989 61.509 62.300 0.329 0.000 1.015 333 V CB 2.516 34.425 31.823 0.144 0.000 1.050 333 V HN 0.806 nan 8.190 nan 0.000 0.433 334 R N 1.350 121.941 120.500 0.152 0.000 2.254 334 R HA 0.484 4.818 4.340 -0.011 0.000 0.318 334 R C -0.509 175.752 176.300 -0.066 0.000 1.031 334 R CA -0.388 55.649 56.100 -0.105 0.000 0.905 334 R CB 1.179 31.282 30.300 -0.328 0.000 1.050 334 R HN 0.744 nan 8.270 nan 0.000 0.456 335 T N 1.690 116.197 114.554 -0.078 0.000 2.851 335 T HA 0.149 4.493 4.350 -0.011 0.000 0.298 335 T C 0.931 175.583 174.700 -0.079 0.000 0.977 335 T CA -0.391 61.672 62.100 -0.063 0.000 1.126 335 T CB 1.471 70.305 68.868 -0.057 0.000 0.916 335 T HN 0.682 nan 8.240 nan 0.000 0.529 336 A N 2.726 125.507 122.820 -0.065 0.000 2.460 336 A HA 0.541 4.855 4.320 -0.011 0.000 0.258 336 A C 0.813 178.364 177.584 -0.056 0.000 1.300 336 A CA -0.376 51.623 52.037 -0.063 0.000 0.913 336 A CB 0.210 19.177 19.000 -0.055 0.000 1.031 336 A HN 0.598 nan 8.150 nan 0.000 0.512 337 S N -0.541 115.126 115.700 -0.056 0.000 2.536 337 S HA 0.423 4.887 4.470 -0.011 0.000 0.271 337 S C -0.507 174.063 174.600 -0.050 0.000 1.134 337 S CA -0.697 57.473 58.200 -0.051 0.000 0.897 337 S CB 1.491 64.661 63.200 -0.051 0.000 1.094 337 S HN 0.537 nan 8.310 nan 0.000 0.473 338 R N 3.106 123.579 120.500 -0.046 0.000 2.298 338 R HA 0.438 4.772 4.340 -0.011 0.000 0.310 338 R C -1.280 174.993 176.300 -0.044 0.000 1.068 338 R CA -0.164 55.910 56.100 -0.044 0.000 0.957 338 R CB 0.110 30.387 30.300 -0.038 0.000 1.003 338 R HN 0.557 nan 8.270 nan 0.000 0.454 339 L N 4.984 126.180 121.223 -0.044 0.000 2.313 339 L HA 0.415 4.748 4.340 -0.011 0.000 0.283 339 L C -0.014 176.829 176.870 -0.045 0.000 1.013 339 L CA -0.777 54.034 54.840 -0.048 0.000 0.816 339 L CB 1.757 43.788 42.059 -0.047 0.000 1.236 339 L HN 0.418 nan 8.230 nan 0.000 0.419 340 K N 3.327 123.696 120.400 -0.052 0.000 2.336 340 K HA 0.212 4.526 4.320 -0.011 0.000 0.290 340 K C -0.397 176.176 176.600 -0.045 0.000 1.067 340 K CA -0.045 56.213 56.287 -0.048 0.000 0.962 340 K CB 0.380 32.844 32.500 -0.060 0.000 1.008 340 K HN 0.233 nan 8.250 nan 0.000 0.467 341 K N 1.669 122.048 120.400 -0.036 0.000 2.427 341 K HA 0.321 4.635 4.320 -0.011 0.000 0.252 341 K C -1.323 175.263 176.600 -0.024 0.000 0.931 341 K CA -0.434 55.834 56.287 -0.032 0.000 0.793 341 K CB 1.842 34.320 32.500 -0.036 0.000 1.211 341 K HN 0.267 nan 8.250 nan 0.000 0.426 342 T N 6.050 120.593 114.554 -0.019 0.000 2.786 342 T HA 0.461 4.804 4.350 -0.011 0.000 0.283 342 T C -2.610 172.084 174.700 -0.011 0.000 0.992 342 T CA -1.502 60.592 62.100 -0.011 0.000 0.954 342 T CB 1.415 70.280 68.868 -0.004 0.000 0.934 342 T HN 0.461 nan 8.240 nan 0.000 0.440 343 P HA 0.354 nan 4.420 nan 0.000 0.269 343 P C 1.070 178.367 177.300 -0.005 0.000 1.215 343 P CA 0.595 63.689 63.100 -0.011 0.000 0.780 343 P CB 0.538 32.233 31.700 -0.009 0.000 0.898 344 G N 1.463 110.260 108.800 -0.005 0.000 2.541 344 G HA2 -0.142 3.811 3.960 -0.011 0.000 0.201 344 G HA3 -0.142 3.811 3.960 -0.011 0.000 0.201 344 G C -0.064 174.839 174.900 0.005 0.000 1.026 344 G CA -0.498 44.603 45.100 0.002 0.000 0.687 344 G HN 0.571 nan 8.290 nan 0.000 0.492 345 R N 0.034 120.537 120.500 0.005 0.000 2.561 345 R HA 0.559 4.893 4.340 -0.011 0.000 0.297 345 R C -0.922 175.377 176.300 -0.001 0.000 0.969 345 R CA -0.972 55.137 56.100 0.015 0.000 0.879 345 R CB 2.385 32.703 30.300 0.031 0.000 1.178 345 R HN 0.243 nan 8.270 nan 0.000 0.445 346 L N 3.274 124.500 121.223 0.006 0.000 2.600 346 L HA 0.039 4.373 4.340 -0.011 0.000 0.278 346 L C -0.340 176.500 176.870 -0.050 0.000 1.139 346 L CA 0.503 55.315 54.840 -0.046 0.000 0.933 346 L CB -0.234 41.818 42.059 -0.012 0.000 1.266 346 L HN 0.415 nan 8.230 nan 0.000 0.471 347 D N 4.801 125.123 120.400 -0.130 0.000 2.347 347 D HA 0.130 4.764 4.640 -0.011 0.000 0.235 347 D C -0.837 175.365 176.300 -0.163 0.000 1.149 347 D CA -0.106 53.853 54.000 -0.069 0.000 0.850 347 D CB 0.251 41.026 40.800 -0.042 0.000 1.061 347 D HN 0.308 nan 8.370 nan 0.000 0.487 348 F N 3.361 123.267 119.950 -0.074 0.000 2.467 348 F HA 0.210 4.731 4.527 -0.011 0.000 0.349 348 F C 1.151 176.971 175.800 0.032 0.000 1.182 348 F CA -0.513 57.423 58.000 -0.107 0.000 1.279 348 F CB 0.260 39.031 39.000 -0.381 0.000 1.626 348 F HN 0.109 nan 8.300 nan 0.000 0.596 349 Q N 1.555 121.446 119.800 0.151 0.000 2.312 349 Q HA 0.497 4.830 4.340 -0.011 0.000 0.236 349 Q C -0.121 175.983 176.000 0.173 0.000 0.965 349 Q CA -0.862 55.003 55.803 0.102 0.000 0.894 349 Q CB 1.297 30.038 28.738 0.004 0.000 1.225 349 Q HN 0.412 nan 8.270 nan 0.000 0.478 350 R N -0.098 120.410 120.500 0.015 0.000 2.346 350 R HA 0.593 4.927 4.340 -0.011 0.000 0.311 350 R C -0.204 175.996 176.300 -0.166 0.000 0.983 350 R CA -0.062 55.973 56.100 -0.109 0.000 0.880 350 R CB 1.549 31.699 30.300 -0.251 0.000 1.100 350 R HN 0.733 nan 8.270 nan 0.000 0.453 351 G N 0.201 108.855 108.800 -0.243 0.000 2.818 351 G HA2 0.559 4.513 3.960 -0.011 0.000 0.286 351 G HA3 0.559 4.513 3.960 -0.011 0.000 0.286 351 G C -1.451 173.288 174.900 -0.269 0.000 1.364 351 G CA -0.578 44.400 45.100 -0.203 0.000 0.938 351 G HN 0.343 nan 8.290 nan 0.000 0.490 352 V N 0.901 120.702 119.914 -0.188 0.000 2.340 352 V HA 0.311 4.424 4.120 -0.011 0.000 0.277 352 V C -0.500 175.518 176.094 -0.127 0.000 1.017 352 V CA -0.490 61.706 62.300 -0.173 0.000 0.820 352 V CB 0.996 32.744 31.823 -0.124 0.000 1.028 352 V HN 0.615 nan 8.190 nan 0.000 0.436 353 L N 6.508 127.649 121.223 -0.137 0.000 2.315 353 L HA 0.542 4.876 4.340 -0.011 0.000 0.283 353 L C 0.173 177.006 176.870 -0.062 0.000 1.089 353 L CA 0.812 55.600 54.840 -0.086 0.000 0.833 353 L CB 0.534 42.543 42.059 -0.084 0.000 1.170 353 L HN 0.844 nan 8.230 nan 0.000 0.442 354 Q N 4.744 124.519 119.800 -0.043 0.000 2.553 354 Q HA 0.501 4.834 4.340 -0.011 0.000 0.293 354 Q C -1.153 174.836 176.000 -0.017 0.000 1.038 354 Q CA -1.117 54.668 55.803 -0.030 0.000 0.777 354 Q CB 1.449 30.168 28.738 -0.032 0.000 1.487 354 Q HN 0.543 nan 8.270 nan 0.000 0.426 355 R N 1.457 121.950 120.500 -0.011 0.000 2.340 355 R HA 0.197 4.530 4.340 -0.011 0.000 0.300 355 R C 0.002 176.297 176.300 -0.009 0.000 1.069 355 R CA -0.082 56.014 56.100 -0.005 0.000 0.984 355 R CB 0.489 30.788 30.300 -0.002 0.000 1.003 355 R HN 0.738 nan 8.270 nan 0.000 0.459 356 N N 1.700 120.395 118.700 -0.008 0.000 2.418 356 N HA 0.136 4.869 4.740 -0.011 0.000 0.283 356 N C 0.791 176.295 175.510 -0.009 0.000 1.267 356 N CA -0.064 52.979 53.050 -0.012 0.000 0.975 356 N CB 0.264 38.741 38.487 -0.017 0.000 1.167 356 N HN 0.408 nan 8.380 nan 0.000 0.581 357 A N -0.468 122.345 122.820 -0.011 0.000 1.892 357 A HA -0.199 4.115 4.320 -0.011 0.000 0.218 357 A C 1.060 178.640 177.584 -0.006 0.000 1.188 357 A CA 1.978 54.010 52.037 -0.009 0.000 0.631 357 A CB -1.086 17.908 19.000 -0.011 0.000 0.822 357 A HN 0.755 nan 8.150 nan 0.000 0.447 358 D N -0.688 119.709 120.400 -0.006 0.000 2.355 358 D HA 0.311 4.944 4.640 -0.011 0.000 0.253 358 D C 1.349 177.651 176.300 0.003 0.000 1.187 358 D CA 1.060 55.059 54.000 -0.002 0.000 0.900 358 D CB -0.642 40.157 40.800 -0.003 0.000 0.915 358 D HN 0.618 nan 8.370 nan 0.000 0.516 359 G N 0.656 109.458 108.800 0.003 0.000 2.180 359 G HA2 -0.347 3.607 3.960 -0.011 0.000 0.263 359 G HA3 -0.347 3.607 3.960 -0.011 0.000 0.263 359 G C 0.134 175.041 174.900 0.012 0.000 0.989 359 G CA 0.207 45.311 45.100 0.006 0.000 0.692 359 G HN 0.428 nan 8.290 nan 0.000 0.526 360 E N -0.761 119.447 120.200 0.012 0.000 2.277 360 E HA 0.581 4.924 4.350 -0.011 0.000 0.274 360 E C -0.154 176.457 176.600 0.018 0.000 1.022 360 E CA -1.105 55.309 56.400 0.022 0.000 0.853 360 E CB 1.602 31.317 29.700 0.025 0.000 1.086 360 E HN 0.077 nan 8.360 nan 0.000 0.397 361 L N 3.097 124.339 121.223 0.031 0.000 2.367 361 L HA 0.151 4.484 4.340 -0.011 0.000 0.275 361 L C -0.205 176.681 176.870 0.026 0.000 1.129 361 L CA 0.646 55.501 54.840 0.025 0.000 0.839 361 L CB 0.118 42.198 42.059 0.035 0.000 1.133 361 L HN 0.612 nan 8.230 nan 0.000 0.453 362 E N 3.014 123.216 120.200 0.003 0.000 2.392 362 E HA 0.632 4.975 4.350 -0.011 0.000 0.279 362 E C -1.594 174.991 176.600 -0.026 0.000 0.964 362 E CA -1.107 55.289 56.400 -0.008 0.000 0.777 362 E CB 1.480 31.165 29.700 -0.025 0.000 1.249 362 E HN 0.218 nan 8.360 nan 0.000 0.449 363 V N -0.332 119.563 119.914 -0.031 0.000 2.532 363 V HA 0.685 4.799 4.120 -0.011 0.000 0.295 363 V C -0.296 175.764 176.094 -0.056 0.000 1.041 363 V CA -0.490 61.780 62.300 -0.050 0.000 0.926 363 V CB 1.302 33.096 31.823 -0.048 0.000 0.992 363 V HN 0.764 nan 8.190 nan 0.000 0.457 364 T N 2.298 116.810 114.554 -0.068 0.000 2.841 364 T HA 0.411 4.755 4.350 -0.011 0.000 0.283 364 T C 0.095 174.747 174.700 -0.078 0.000 1.000 364 T CA -0.228 61.832 62.100 -0.066 0.000 0.977 364 T CB 1.569 70.400 68.868 -0.061 0.000 0.979 364 T HN 1.031 nan 8.240 nan 0.000 0.446 365 T N 1.344 115.856 114.554 -0.071 0.000 2.932 365 T HA 0.098 4.442 4.350 -0.011 0.000 0.312 365 T C 1.787 176.437 174.700 -0.084 0.000 1.071 365 T CA 0.393 62.445 62.100 -0.079 0.000 1.128 365 T CB 0.359 69.186 68.868 -0.068 0.000 0.984 365 T HN 0.804 nan 8.240 nan 0.000 0.549 366 T N 1.415 115.907 114.554 -0.103 0.000 3.035 366 T HA 0.410 4.753 4.350 -0.011 0.000 0.268 366 T C 1.250 175.910 174.700 -0.066 0.000 1.109 366 T CA 0.628 62.667 62.100 -0.100 0.000 1.119 366 T CB -0.468 68.317 68.868 -0.139 0.000 0.900 366 T HN 1.311 nan 8.240 nan 0.000 0.503 367 G N 0.399 109.167 108.800 -0.054 0.000 2.250 367 G HA2 0.005 3.958 3.960 -0.011 0.000 0.252 367 G HA3 0.005 3.958 3.960 -0.011 0.000 0.252 367 G C -0.899 174.000 174.900 -0.002 0.000 1.325 367 G CA -0.546 44.546 45.100 -0.013 0.000 1.091 367 G HN 0.659 nan 8.290 nan 0.000 0.476 368 H N 1.492 120.547 119.070 -0.025 0.000 3.157 368 H HA 0.311 4.861 4.556 -0.011 0.000 0.299 368 H C 1.536 176.845 175.328 -0.033 0.000 0.961 368 H CA 0.896 56.944 56.048 -0.000 0.000 1.428 368 H CB 0.853 30.647 29.762 0.054 0.000 1.459 368 H HN 0.361 nan 8.280 nan 0.000 0.566 369 Q N 3.698 123.351 119.800 -0.245 0.000 2.403 369 Q HA 0.115 4.448 4.340 -0.011 0.000 0.203 369 Q C 0.993 176.979 176.000 -0.024 0.000 0.932 369 Q CA 0.495 56.219 55.803 -0.132 0.000 0.945 369 Q CB 0.288 28.941 28.738 -0.141 0.000 1.045 369 Q HN 0.833 nan 8.270 nan 0.000 0.511 370 G N 1.241 110.140 108.800 0.165 0.000 2.562 370 G HA2 0.069 4.022 3.960 -0.011 0.000 0.233 370 G HA3 0.069 4.022 3.960 -0.011 0.000 0.233 370 G C 0.746 175.774 174.900 0.214 0.000 1.266 370 G CA 0.305 45.633 45.100 0.380 0.000 0.852 370 G HN 0.301 nan 8.290 nan 0.000 0.581 371 S N 0.043 115.887 115.700 0.241 0.000 2.631 371 S HA -0.035 4.429 4.470 -0.011 0.000 0.217 371 S C 1.443 176.149 174.600 0.177 0.000 0.958 371 S CA 0.602 58.896 58.200 0.157 0.000 0.920 371 S CB -0.288 63.005 63.200 0.155 0.000 0.776 371 S HN 0.864 nan 8.310 nan 0.000 0.517 372 H N 1.458 120.596 119.070 0.114 0.000 2.548 372 H HA 0.383 4.933 4.556 -0.011 0.000 0.265 372 H C 0.551 175.945 175.328 0.109 0.000 0.969 372 H CA -0.266 55.841 56.048 0.100 0.000 1.155 372 H CB -0.467 29.331 29.762 0.060 0.000 1.394 372 H HN 0.659 nan 8.280 nan 0.000 0.570 373 I N -4.155 116.185 120.570 -0.383 0.000 2.689 373 I HA 0.308 4.472 4.170 -0.011 0.000 0.299 373 I C -0.065 176.064 176.117 0.020 0.000 1.059 373 I CA -1.268 59.920 61.300 -0.186 0.000 1.055 373 I CB 1.721 39.531 38.000 -0.316 0.000 1.243 373 I HN -0.206 nan 8.210 nan 0.000 0.425 374 F N 2.060 122.005 119.950 -0.008 0.000 2.717 374 F HA 0.008 4.528 4.527 -0.011 0.000 0.295 374 F C 2.453 178.297 175.800 0.073 0.000 1.117 374 F CA 1.043 59.103 58.000 0.100 0.000 1.361 374 F CB 0.407 39.491 39.000 0.140 0.000 1.112 374 F HN 0.685 nan 8.300 nan 0.000 0.594 375 S N -0.330 115.427 115.700 0.094 0.000 2.407 375 S HA -0.296 4.167 4.470 -0.011 0.000 0.235 375 S C 2.188 176.740 174.600 -0.080 0.000 1.036 375 S CA 1.483 59.705 58.200 0.037 0.000 1.013 375 S CB -1.404 61.808 63.200 0.020 0.000 0.820 375 S HN 0.496 nan 8.310 nan 0.000 0.476 376 S N 1.169 116.726 115.700 -0.238 0.000 2.442 376 S HA -0.031 4.433 4.470 -0.011 0.000 0.236 376 S C 1.458 175.825 174.600 -0.388 0.000 1.007 376 S CA 0.863 58.860 58.200 -0.338 0.000 0.965 376 S CB -1.032 61.906 63.200 -0.437 0.000 0.773 376 S HN 0.592 nan 8.310 nan 0.000 0.504 377 F N 1.479 121.240 119.950 -0.316 0.000 2.293 377 F HA 0.082 4.603 4.527 -0.011 0.000 0.297 377 F C 3.087 178.829 175.800 -0.096 0.000 1.089 377 F CA 0.880 58.634 58.000 -0.411 0.000 1.377 377 F CB -0.430 38.048 39.000 -0.869 0.000 1.051 377 F HN 0.304 nan 8.300 nan 0.000 0.511 378 S N 0.497 116.273 115.700 0.126 0.000 2.345 378 S HA -0.090 4.374 4.470 -0.011 0.000 0.219 378 S C 2.061 176.707 174.600 0.077 0.000 1.031 378 S CA 0.963 59.245 58.200 0.136 0.000 0.984 378 S CB -0.446 62.834 63.200 0.133 0.000 0.874 378 S HN 0.258 nan 8.310 nan 0.000 0.451 379 L N 1.154 122.387 121.223 0.017 0.000 2.083 379 L HA 0.072 4.406 4.340 -0.011 0.000 0.209 379 L C 1.718 178.546 176.870 -0.070 0.000 1.083 379 L CA 0.648 55.472 54.840 -0.026 0.000 0.752 379 L CB -1.084 40.945 42.059 -0.051 0.000 0.899 379 L HN 0.343 nan 8.230 nan 0.000 0.433 380 G N 0.038 108.778 108.800 -0.100 0.000 2.616 380 G HA2 0.187 4.141 3.960 -0.011 0.000 0.268 380 G HA3 0.187 4.141 3.960 -0.011 0.000 0.268 380 G C 0.250 174.931 174.900 -0.365 0.000 1.213 380 G CA 0.024 44.950 45.100 -0.290 0.000 0.926 380 G HN 0.427 nan 8.290 nan 0.000 0.523 381 N N -2.347 115.920 118.700 -0.721 0.000 2.217 381 N HA 0.134 4.868 4.740 -0.011 0.000 0.239 381 N C -0.172 174.660 175.510 -1.129 0.000 1.330 381 N CA 0.161 52.785 53.050 -0.711 0.000 0.838 381 N CB -0.452 37.887 38.487 -0.247 0.000 1.287 381 N HN 0.900 nan 8.380 nan 0.000 0.498 382 C N -2.608 115.617 119.300 -1.792 0.000 3.275 382 C HA 0.727 5.181 4.460 -0.011 0.000 0.340 382 C C -1.479 172.983 174.990 -0.879 0.000 1.366 382 C CA -1.575 56.792 59.018 -1.085 0.000 1.227 382 C CB 0.091 27.595 27.740 -0.393 0.000 1.512 382 C HN 0.050 nan 8.230 nan 0.000 0.461 383 F N 1.141 121.080 119.950 -0.018 0.000 2.422 383 F HA 0.698 5.218 4.527 -0.011 0.000 0.333 383 F C 0.497 176.300 175.800 0.004 0.000 1.095 383 F CA -0.766 57.297 58.000 0.104 0.000 1.038 383 F CB 1.401 40.588 39.000 0.312 0.000 1.156 383 F HN 0.423 nan 8.300 nan 0.000 0.483 384 I N 4.181 124.855 120.570 0.174 0.000 2.297 384 I HA 0.190 4.354 4.170 -0.011 0.000 0.291 384 I C -0.742 175.365 176.117 -0.018 0.000 1.033 384 I CA -0.628 60.703 61.300 0.051 0.000 1.253 384 I CB 0.915 38.915 38.000 -0.001 0.000 1.396 384 I HN 0.202 nan 8.210 nan 0.000 0.476 385 V N 8.036 127.890 119.914 -0.100 0.000 2.322 385 V HA 0.237 4.351 4.120 -0.011 0.000 0.258 385 V C 0.303 176.234 176.094 -0.272 0.000 1.074 385 V CA -0.351 61.732 62.300 -0.361 0.000 0.909 385 V CB 0.179 31.763 31.823 -0.398 0.000 1.090 385 V HN 0.496 nan 8.190 nan 0.000 0.486 386 L N 4.027 125.097 121.223 -0.255 0.000 2.265 386 L HA 0.419 4.753 4.340 -0.011 0.000 0.288 386 L C 0.583 177.358 176.870 -0.158 0.000 1.058 386 L CA -0.660 54.089 54.840 -0.153 0.000 0.809 386 L CB 0.918 42.914 42.059 -0.104 0.000 1.179 386 L HN 0.525 nan 8.230 nan 0.000 0.429 387 E N 1.945 122.077 120.200 -0.114 0.000 2.508 387 E HA -0.108 4.236 4.350 -0.011 0.000 0.266 387 E C 1.000 177.554 176.600 -0.076 0.000 1.010 387 E CA 0.275 56.618 56.400 -0.095 0.000 0.955 387 E CB 0.495 30.159 29.700 -0.061 0.000 0.946 387 E HN 0.381 nan 8.360 nan 0.000 0.454 388 R N 2.155 122.616 120.500 -0.066 0.000 2.103 388 R HA -0.234 4.099 4.340 -0.011 0.000 0.234 388 R C 0.728 177.009 176.300 -0.032 0.000 1.132 388 R CA 2.145 58.219 56.100 -0.043 0.000 0.925 388 R CB -0.099 30.182 30.300 -0.032 0.000 0.842 388 R HN 0.554 nan 8.270 nan 0.000 0.430 389 D N 0.112 120.495 120.400 -0.028 0.000 2.350 389 D HA -0.098 4.535 4.640 -0.011 0.000 0.216 389 D C 0.575 176.863 176.300 -0.021 0.000 0.968 389 D CA 0.510 54.498 54.000 -0.021 0.000 0.894 389 D CB -0.273 40.517 40.800 -0.018 0.000 0.909 389 D HN 0.192 nan 8.370 nan 0.000 0.520 390 R N 0.497 120.981 120.500 -0.027 0.000 2.537 390 R HA 0.342 4.676 4.340 -0.011 0.000 0.280 390 R C 0.723 177.009 176.300 -0.023 0.000 1.058 390 R CA -0.038 56.047 56.100 -0.024 0.000 1.057 390 R CB 0.615 30.897 30.300 -0.030 0.000 0.973 390 R HN 0.007 nan 8.270 nan 0.000 0.438 391 G N 2.206 110.995 108.800 -0.019 0.000 2.606 391 G HA2 0.097 4.051 3.960 -0.011 0.000 0.262 391 G HA3 0.097 4.051 3.960 -0.011 0.000 0.262 391 G C -0.682 174.205 174.900 -0.021 0.000 1.394 391 G CA -0.807 44.283 45.100 -0.018 0.000 1.044 391 G HN 0.640 nan 8.290 nan 0.000 0.553 392 N N -1.224 117.463 118.700 -0.021 0.000 2.329 392 N HA 0.204 4.937 4.740 -0.011 0.000 0.237 392 N C -0.309 175.186 175.510 -0.026 0.000 1.258 392 N CA 0.104 53.139 53.050 -0.025 0.000 0.866 392 N CB 1.026 39.499 38.487 -0.024 0.000 1.102 392 N HN 0.141 nan 8.380 nan 0.000 0.440 393 V N 1.674 121.569 119.914 -0.031 0.000 2.487 393 V HA 0.241 4.354 4.120 -0.011 0.000 0.298 393 V C 0.051 176.122 176.094 -0.039 0.000 1.028 393 V CA -0.854 61.427 62.300 -0.032 0.000 0.860 393 V CB 1.694 33.498 31.823 -0.031 0.000 0.991 393 V HN 0.488 nan 8.190 nan 0.000 0.427 394 E N 2.227 122.401 120.200 -0.042 0.000 2.319 394 E HA 0.358 4.701 4.350 -0.011 0.000 0.268 394 E C -0.209 176.353 176.600 -0.064 0.000 1.050 394 E CA -0.538 55.833 56.400 -0.049 0.000 0.878 394 E CB 1.866 31.537 29.700 -0.048 0.000 1.066 394 E HN 0.401 nan 8.360 nan 0.000 0.406 395 V N 1.652 121.528 119.914 -0.064 0.000 2.644 395 V HA 0.130 4.244 4.120 -0.011 0.000 0.305 395 V C 1.565 177.595 176.094 -0.106 0.000 1.053 395 V CA 1.878 64.132 62.300 -0.077 0.000 1.186 395 V CB 0.075 31.858 31.823 -0.067 0.000 0.895 395 V HN 0.996 nan 8.190 nan 0.000 0.490 396 G N 3.164 111.882 108.800 -0.138 0.000 2.175 396 G HA2 -0.208 3.745 3.960 -0.011 0.000 0.244 396 G HA3 -0.208 3.745 3.960 -0.011 0.000 0.244 396 G C 0.099 174.824 174.900 -0.292 0.000 0.982 396 G CA 0.232 45.206 45.100 -0.210 0.000 0.641 396 G HN 0.681 nan 8.290 nan 0.000 0.527 397 E N -0.855 119.223 120.200 -0.204 0.000 2.374 397 E HA 0.351 4.695 4.350 -0.011 0.000 0.260 397 E C -0.092 176.408 176.600 -0.167 0.000 1.101 397 E CA -0.772 55.516 56.400 -0.187 0.000 0.907 397 E CB 0.515 30.170 29.700 -0.074 0.000 1.014 397 E HN 0.376 nan 8.360 nan 0.000 0.427 398 W N 1.355 122.639 121.300 -0.026 0.000 2.266 398 W HA 0.306 4.960 4.660 -0.011 0.000 0.317 398 W C -0.382 176.117 176.519 -0.032 0.000 1.310 398 W CA -0.385 56.944 57.345 -0.027 0.000 1.207 398 W CB 0.721 30.167 29.460 -0.024 0.000 1.199 398 W HN 0.112 nan 8.180 nan 0.000 0.544 399 V N 3.803 123.886 119.914 0.281 0.000 2.925 399 V HA 0.226 4.340 4.120 -0.011 0.000 0.311 399 V C -0.359 175.793 176.094 0.096 0.000 1.104 399 V CA -1.140 61.236 62.300 0.126 0.000 0.954 399 V CB 2.180 34.042 31.823 0.064 0.000 1.022 399 V HN 0.311 nan 8.190 nan 0.000 0.427 400 E N 2.385 122.606 120.200 0.035 0.000 2.259 400 E HA 0.507 4.851 4.350 -0.011 0.000 0.281 400 E C -1.072 175.541 176.600 0.022 0.000 1.027 400 E CA -0.074 56.334 56.400 0.014 0.000 0.838 400 E CB 1.973 31.659 29.700 -0.023 0.000 1.066 400 E HN 0.352 nan 8.360 nan 0.000 0.401 401 V N 2.527 122.467 119.914 0.042 0.000 2.735 401 V HA 0.228 4.342 4.120 -0.011 0.000 0.310 401 V C -0.157 175.998 176.094 0.102 0.000 1.061 401 V CA -0.700 61.636 62.300 0.061 0.000 0.913 401 V CB 2.104 33.949 31.823 0.036 0.000 1.005 401 V HN 0.614 nan 8.190 nan 0.000 0.428 402 E N 5.540 125.846 120.200 0.178 0.000 2.346 402 E HA 0.398 4.742 4.350 -0.011 0.000 0.239 402 E C -2.700 174.059 176.600 0.266 0.000 0.943 402 E CA -2.037 54.524 56.400 0.269 0.000 0.751 402 E CB 1.772 31.727 29.700 0.424 0.000 1.241 402 E HN 0.404 nan 8.360 nan 0.000 0.423 403 P HA -0.079 nan 4.420 nan 0.000 0.264 403 P C -0.519 176.972 177.300 0.318 0.000 1.183 403 P CA 0.157 63.330 63.100 0.121 0.000 0.763 403 P CB 0.132 31.892 31.700 0.099 0.000 0.807 404 F N 2.970 122.958 119.950 0.064 0.000 2.608 404 F HA -0.014 4.506 4.527 -0.011 0.000 0.380 404 F C 1.637 177.577 175.800 0.233 0.000 1.083 404 F CA -0.249 57.847 58.000 0.159 0.000 1.266 404 F CB -0.691 38.374 39.000 0.108 0.000 1.076 404 F HN 0.380 nan 8.300 nan 0.000 0.574 405 N N 2.193 121.187 118.700 0.489 0.000 2.381 405 N HA 0.254 4.988 4.740 -0.011 0.000 0.289 405 N C 0.862 176.492 175.510 0.199 0.000 1.288 405 N CA 0.125 53.343 53.050 0.280 0.000 0.960 405 N CB -0.279 38.328 38.487 0.199 0.000 1.116 405 N HN 0.423 nan 8.380 nan 0.000 0.557 406 A N -0.644 122.237 122.820 0.101 0.000 2.070 406 A HA -0.009 4.305 4.320 -0.011 0.000 0.220 406 A C 2.241 179.815 177.584 -0.016 0.000 1.159 406 A CA 0.865 52.936 52.037 0.057 0.000 0.656 406 A CB -1.083 17.938 19.000 0.036 0.000 0.800 406 A HN 0.605 nan 8.150 nan 0.000 0.453 407 L N -2.295 118.852 121.223 -0.125 0.000 2.261 407 L HA -0.148 4.185 4.340 -0.011 0.000 0.216 407 L C 1.409 177.956 176.870 -0.538 0.000 1.114 407 L CA 1.170 55.787 54.840 -0.371 0.000 0.777 407 L CB -0.421 41.310 42.059 -0.546 0.000 0.910 407 L HN 0.496 nan 8.230 nan 0.000 0.440 408 F N -0.947 119.027 119.950 0.040 0.000 2.688 408 F HA 0.452 4.972 4.527 -0.010 0.000 0.310 408 F C 1.163 177.038 175.800 0.125 0.000 1.098 408 F CA 0.042 58.051 58.000 0.015 0.000 1.228 408 F CB 0.836 39.702 39.000 -0.222 0.000 1.042 408 F HN 0.060 nan 8.300 nan 0.000 0.557 409 G N 0.000 108.934 108.800 0.223 0.000 5.446 409 G HA2 0.000 3.954 3.960 -0.011 0.000 0.244 409 G HA3 0.000 3.954 3.960 -0.011 0.000 0.244 409 G CA 0.000 45.206 45.100 0.177 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925