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 2vk4_1_C DATA FIRST_RESID 2 DATA SEQUENCE SEITLGRYLF ERLKQVEVQT IFGLPGDFNL SLLDNIYEVP GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARLKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSXXXXAKQL LLHHTLGNGD FTVFHRMSSN ISETTAMITD INTAPAEIDR DATA SEQUENCE CIRTTYVSQR PVYLGLPANL VDLTVPASLL DTPIDLSLKP NDPEAEEEVI DATA SEQUENCE ENVLQLIKEA KNPVILADAC CSRHDAKAET KKLIDLTQFP AFVTPMGKGS DATA SEQUENCE IDEKHPRFGG VYVGTLSSPA VKEAVESADL VLSVGALLSD FNTGSFSYSY DATA SEQUENCE KTKNIVEFHS DYTKIRSATF PGVQMKFALQ KLLTKVADAA KGYKPVPVPS DATA SEQUENCE EPEHNEAVAD STPLKQEWVW TQVGEFLREG DVVITETGTS AFGINQTHFP DATA SEQUENCE NNTYGISQVL WGSIGFTTGA TLGAAFAAEE IDPKKRVILF IGDGSLQLTV DATA SEQUENCE QEISTMIRWG LKPYLFVLNN DGYTIERLIH GETAQYNCIQ NWQHLELLPT DATA SEQUENCE FGAKDYEAVR VSTTGEWNKL TTDEKFQDNT RIRLIEVMLP TMDAPSNLVK DATA SEQUENCE QAQLTAATN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.610 174.600 0.016 0.000 1.055 2 S CA 0.000 58.208 58.200 0.013 0.000 1.107 2 S CB 0.000 63.209 63.200 0.014 0.000 0.593 3 E N 3.343 123.553 120.200 0.016 0.000 2.299 3 E HA 0.737 5.087 4.350 0.000 0.000 0.265 3 E C -0.557 176.059 176.600 0.027 0.000 0.911 3 E CA -1.000 55.411 56.400 0.018 0.000 0.789 3 E CB 2.368 32.072 29.700 0.007 0.000 1.246 3 E HN 0.704 nan 8.360 nan 0.000 0.427 4 I N -2.588 118.004 120.570 0.037 0.000 2.994 4 I HA 0.450 4.620 4.170 0.000 0.000 0.306 4 I C 0.190 176.334 176.117 0.044 0.000 1.195 4 I CA -1.070 60.260 61.300 0.049 0.000 1.001 4 I CB 1.988 40.033 38.000 0.076 0.000 1.244 4 I HN 0.432 nan 8.210 nan 0.000 0.437 5 T N 0.450 115.030 114.554 0.044 0.000 2.766 5 T HA 0.210 4.560 4.350 0.000 0.000 0.295 5 T C 0.797 175.521 174.700 0.041 0.000 1.024 5 T CA -0.480 61.637 62.100 0.028 0.000 1.018 5 T CB 1.331 70.216 68.868 0.028 0.000 1.002 5 T HN 0.703 nan 8.240 nan 0.000 0.532 6 L N 1.688 122.911 121.223 0.000 0.000 2.141 6 L HA 0.202 4.542 4.340 0.000 0.000 0.209 6 L C 2.548 179.433 176.870 0.025 0.000 1.094 6 L CA 2.232 57.062 54.840 -0.015 0.000 0.763 6 L CB -1.288 40.724 42.059 -0.078 0.000 0.908 6 L HN 0.978 nan 8.230 nan 0.000 0.437 7 G N -0.773 108.037 108.800 0.016 0.000 2.446 7 G HA2 -0.370 3.590 3.960 0.000 0.000 0.217 7 G HA3 -0.370 3.590 3.960 0.000 0.000 0.217 7 G C 1.729 176.687 174.900 0.096 0.000 1.168 7 G CA 0.902 46.014 45.100 0.020 0.000 0.771 7 G HN 0.369 nan 8.290 nan 0.000 0.551 8 R N -0.367 120.217 120.500 0.141 0.000 2.083 8 R HA -0.144 4.196 4.340 0.000 0.000 0.237 8 R C 2.234 178.613 176.300 0.131 0.000 1.137 8 R CA 1.699 57.899 56.100 0.166 0.000 0.951 8 R CB -1.103 29.264 30.300 0.111 0.000 0.851 8 R HN 0.443 nan 8.270 nan 0.000 0.434 9 Y N 0.307 120.598 120.300 -0.015 0.000 2.114 9 Y HA -0.278 4.273 4.550 0.001 0.000 0.282 9 Y C 1.872 177.716 175.900 -0.094 0.000 1.165 9 Y CA 2.037 60.111 58.100 -0.043 0.000 1.148 9 Y CB -0.438 37.991 38.460 -0.052 0.000 0.972 9 Y HN 0.237 nan 8.280 nan 0.000 0.504 10 L N -0.388 120.827 121.223 -0.014 0.000 1.989 10 L HA -0.234 4.106 4.340 0.000 0.000 0.211 10 L C 1.962 178.609 176.870 -0.372 0.000 1.071 10 L CA 2.042 56.724 54.840 -0.263 0.000 0.749 10 L CB -1.156 40.605 42.059 -0.495 0.000 0.890 10 L HN 0.228 nan 8.230 nan 0.000 0.431 11 F N -0.111 119.801 119.950 -0.064 0.000 2.325 11 F HA -0.058 4.470 4.527 0.001 0.000 0.299 11 F C 2.496 178.231 175.800 -0.108 0.000 1.090 11 F CA 0.875 58.823 58.000 -0.087 0.000 1.392 11 F CB -0.671 38.274 39.000 -0.091 0.000 1.053 11 F HN 0.142 nan 8.300 nan 0.000 0.521 12 E N 0.207 120.411 120.200 0.006 0.000 2.072 12 E HA -0.136 4.214 4.350 0.000 0.000 0.191 12 E C 2.409 178.914 176.600 -0.158 0.000 0.985 12 E CA 0.623 56.977 56.400 -0.077 0.000 0.801 12 E CB -0.223 29.410 29.700 -0.113 0.000 0.750 12 E HN 0.251 nan 8.360 nan 0.000 0.452 13 R N 0.747 121.079 120.500 -0.280 0.000 2.080 13 R HA -0.070 4.270 4.340 0.000 0.000 0.236 13 R C 2.645 178.867 176.300 -0.130 0.000 1.137 13 R CA 0.755 56.697 56.100 -0.263 0.000 0.943 13 R CB -1.152 28.939 30.300 -0.348 0.000 0.846 13 R HN 0.246 nan 8.270 nan 0.000 0.431 14 L N 0.811 121.983 121.223 -0.084 0.000 2.043 14 L HA -0.220 4.120 4.340 0.000 0.000 0.212 14 L C 2.683 179.556 176.870 0.004 0.000 1.075 14 L CA 1.601 56.433 54.840 -0.013 0.000 0.752 14 L CB -0.483 41.596 42.059 0.035 0.000 0.891 14 L HN 0.224 nan 8.230 nan 0.000 0.432 15 K N 0.191 120.591 120.400 0.000 0.000 2.032 15 K HA -0.243 4.077 4.320 0.000 0.000 0.209 15 K C 2.116 178.702 176.600 -0.025 0.000 1.048 15 K CA 1.622 57.906 56.287 -0.004 0.000 0.927 15 K CB -0.064 32.432 32.500 -0.007 0.000 0.712 15 K HN 0.352 nan 8.250 nan 0.000 0.441 16 Q N 0.063 119.831 119.800 -0.053 0.000 2.234 16 Q HA -0.117 4.223 4.340 0.000 0.000 0.206 16 Q C 1.635 177.591 176.000 -0.074 0.000 0.980 16 Q CA 1.517 57.280 55.803 -0.067 0.000 0.869 16 Q CB 0.027 28.709 28.738 -0.093 0.000 0.912 16 Q HN 0.376 nan 8.270 nan 0.000 0.436 17 V N -2.243 117.630 119.914 -0.069 0.000 3.331 17 V HA 0.153 4.274 4.120 0.000 0.000 0.332 17 V C -0.134 175.958 176.094 -0.003 0.000 1.341 17 V CA -0.025 62.227 62.300 -0.082 0.000 1.218 17 V CB -0.675 31.074 31.823 -0.124 0.000 1.152 17 V HN 0.336 nan 8.190 nan 0.000 0.445 18 E N -1.537 118.668 120.200 0.009 0.000 3.070 18 E HA -0.171 4.179 4.350 0.000 0.000 0.285 18 E C 0.072 176.738 176.600 0.110 0.000 0.972 18 E CA 0.645 57.069 56.400 0.039 0.000 0.915 18 E CB -1.909 27.803 29.700 0.021 0.000 1.466 18 E HN 0.608 nan 8.360 nan 0.000 0.432 19 V N 1.316 121.308 119.914 0.131 0.000 2.427 19 V HA -0.001 4.119 4.120 0.000 0.000 0.268 19 V C 1.242 177.384 176.094 0.080 0.000 1.046 19 V CA 0.741 63.158 62.300 0.195 0.000 0.970 19 V CB 1.190 33.104 31.823 0.151 0.000 1.001 19 V HN 0.241 nan 8.190 nan 0.000 0.476 20 Q N 1.953 121.797 119.800 0.072 0.000 2.322 20 Q HA 0.178 4.518 4.340 0.000 0.000 0.250 20 Q C 0.242 176.069 176.000 -0.289 0.000 0.853 20 Q CA 0.168 55.933 55.803 -0.065 0.000 0.951 20 Q CB 1.057 29.787 28.738 -0.013 0.000 1.114 20 Q HN 0.733 nan 8.270 nan 0.000 0.523 21 T N 1.536 115.771 114.554 -0.532 0.000 2.797 21 T HA 0.461 4.811 4.350 0.000 0.000 0.279 21 T C -0.619 173.383 174.700 -1.163 0.000 0.991 21 T CA -0.419 61.064 62.100 -1.027 0.000 0.979 21 T CB 1.405 69.396 68.868 -1.462 0.000 0.943 21 T HN -0.023 nan 8.240 nan 0.000 0.444 22 I N 3.530 123.491 120.570 -1.016 0.000 2.404 22 I HA 0.479 4.649 4.170 0.000 0.000 0.293 22 I C -0.537 174.953 176.117 -1.045 0.000 0.992 22 I CA -0.858 60.042 61.300 -0.667 0.000 1.149 22 I CB 1.146 39.100 38.000 -0.076 0.000 1.315 22 I HN 0.536 nan 8.210 nan 0.000 0.446 23 F N 2.813 122.533 119.950 -0.384 0.000 2.457 23 F HA 0.842 5.369 4.527 -0.000 0.000 0.330 23 F C 1.035 176.592 175.800 -0.405 0.000 1.069 23 F CA -0.071 57.633 58.000 -0.492 0.000 1.009 23 F CB 1.571 40.381 39.000 -0.318 0.000 1.276 23 F HN 0.676 nan 8.300 nan 0.000 0.492 24 G N 0.154 108.814 108.800 -0.234 0.000 2.316 24 G HA2 0.285 4.245 3.960 0.000 0.000 0.349 24 G HA3 0.285 4.245 3.960 0.000 0.000 0.349 24 G C -2.412 172.508 174.900 0.034 0.000 1.274 24 G CA -1.169 43.943 45.100 0.019 0.000 1.018 24 G HN 0.569 nan 8.290 nan 0.000 0.486 25 L N 1.557 123.027 121.223 0.412 0.000 2.445 25 L HA 0.689 5.029 4.340 0.000 0.000 0.262 25 L C -2.010 175.129 176.870 0.449 0.000 0.974 25 L CA -1.480 53.636 54.840 0.460 0.000 0.822 25 L CB 2.731 44.921 42.059 0.218 0.000 1.339 25 L HN 0.571 nan 8.230 nan 0.000 0.409 26 P HA 0.506 nan 4.420 nan 0.000 0.274 26 P C -0.605 176.743 177.300 0.080 0.000 1.246 26 P CA -0.153 63.009 63.100 0.102 0.000 0.795 26 P CB 1.566 33.273 31.700 0.012 0.000 1.006 27 G N -0.010 108.800 108.800 0.018 0.000 2.490 27 G HA2 0.175 4.136 3.960 0.000 0.000 0.308 27 G HA3 0.175 4.136 3.960 0.000 0.000 0.308 27 G C -0.155 174.678 174.900 -0.112 0.000 1.286 27 G CA -0.415 44.678 45.100 -0.011 0.000 0.825 27 G HN 0.263 nan 8.290 nan 0.000 0.479 28 D N -0.455 119.807 120.400 -0.230 0.000 2.133 28 D HA -0.059 4.582 4.640 0.000 0.000 0.195 28 D C 1.365 177.186 176.300 -0.799 0.000 0.997 28 D CA 1.657 55.284 54.000 -0.622 0.000 0.840 28 D CB -0.115 40.120 40.800 -0.942 0.000 0.947 28 D HN 0.239 nan 8.370 nan 0.000 0.452 29 F N -0.421 119.524 119.950 -0.009 0.000 2.708 29 F HA 0.231 4.759 4.527 0.001 0.000 0.300 29 F C 0.958 176.732 175.800 -0.043 0.000 1.118 29 F CA -0.497 57.472 58.000 -0.053 0.000 1.307 29 F CB 0.041 38.990 39.000 -0.086 0.000 0.986 29 F HN -0.100 nan 8.300 nan 0.000 0.522 30 N N -0.455 118.273 118.700 0.046 0.000 2.143 30 N HA 0.070 4.810 4.740 0.000 0.000 0.222 30 N C 0.964 176.432 175.510 -0.071 0.000 1.264 30 N CA 0.079 53.133 53.050 0.007 0.000 0.897 30 N CB -0.584 37.922 38.487 0.031 0.000 1.092 30 N HN 0.265 nan 8.380 nan 0.000 0.516 31 L N -0.025 121.145 121.223 -0.089 0.000 2.046 31 L HA -0.011 4.329 4.340 0.000 0.000 0.208 31 L C 1.820 178.632 176.870 -0.098 0.000 1.077 31 L CA 1.294 56.064 54.840 -0.117 0.000 0.747 31 L CB -0.593 41.404 42.059 -0.103 0.000 0.896 31 L HN 0.126 nan 8.230 nan 0.000 0.432 32 S N 0.304 115.968 115.700 -0.059 0.000 2.402 32 S HA -0.147 4.323 4.470 0.000 0.000 0.229 32 S C 1.860 176.444 174.600 -0.028 0.000 1.021 32 S CA 1.043 59.220 58.200 -0.039 0.000 0.974 32 S CB -0.324 62.863 63.200 -0.021 0.000 0.800 32 S HN 0.243 nan 8.310 nan 0.000 0.484 33 L N 2.216 123.429 121.223 -0.017 0.000 2.012 33 L HA -0.039 4.301 4.340 0.000 0.000 0.210 33 L C 1.921 178.811 176.870 0.034 0.000 1.073 33 L CA 1.717 56.585 54.840 0.047 0.000 0.748 33 L CB -0.760 41.325 42.059 0.044 0.000 0.891 33 L HN 0.288 nan 8.230 nan 0.000 0.431 34 L N -0.702 120.426 121.223 -0.158 0.000 2.131 34 L HA -0.211 4.129 4.340 0.000 0.000 0.210 34 L C 2.185 178.760 176.870 -0.492 0.000 1.092 34 L CA 1.158 55.732 54.840 -0.443 0.000 0.759 34 L CB -1.004 40.666 42.059 -0.648 0.000 0.903 34 L HN 0.309 nan 8.230 nan 0.000 0.435 35 D N 0.246 120.509 120.400 -0.230 0.000 2.190 35 D HA -0.199 4.441 4.640 0.000 0.000 0.200 35 D C 1.863 178.062 176.300 -0.169 0.000 0.992 35 D CA 1.045 54.986 54.000 -0.097 0.000 0.854 35 D CB -0.282 40.511 40.800 -0.012 0.000 0.936 35 D HN 0.370 nan 8.370 nan 0.000 0.462 36 N N 0.375 118.961 118.700 -0.190 0.000 2.331 36 N HA -0.034 4.706 4.740 0.000 0.000 0.180 36 N C 2.074 177.366 175.510 -0.364 0.000 1.019 36 N CA 0.154 53.132 53.050 -0.119 0.000 0.881 36 N CB 0.176 38.750 38.487 0.145 0.000 0.972 36 N HN 0.301 nan 8.380 nan 0.000 0.435 37 I N 0.724 120.788 120.570 -0.845 0.000 2.151 37 I HA -0.320 3.850 4.170 0.000 0.000 0.243 37 I C 1.586 177.372 176.117 -0.551 0.000 1.080 37 I CA 1.488 62.183 61.300 -1.009 0.000 1.339 37 I CB -0.479 36.783 38.000 -1.229 0.000 1.039 37 I HN 0.095 nan 8.210 nan 0.000 0.409 38 Y N 0.715 120.891 120.300 -0.206 0.000 2.497 38 Y HA -0.116 4.434 4.550 0.001 0.000 0.292 38 Y C 2.343 178.196 175.900 -0.078 0.000 1.137 38 Y CA 0.460 58.495 58.100 -0.110 0.000 1.285 38 Y CB -0.660 37.749 38.460 -0.085 0.000 0.991 38 Y HN 0.195 nan 8.280 nan 0.000 0.556 39 E N -0.158 120.051 120.200 0.015 0.000 2.435 39 E HA 0.054 4.405 4.350 0.000 0.000 0.195 39 E C -0.037 176.565 176.600 0.004 0.000 1.029 39 E CA 0.286 56.697 56.400 0.019 0.000 0.865 39 E CB 0.231 29.941 29.700 0.016 0.000 0.833 39 E HN 0.111 nan 8.360 nan 0.000 0.510 40 V N 3.727 123.625 119.914 -0.026 0.000 2.347 40 V HA 0.203 4.323 4.120 0.000 0.000 0.280 40 V C -2.316 173.770 176.094 -0.012 0.000 1.021 40 V CA -2.025 60.267 62.300 -0.013 0.000 0.847 40 V CB 1.297 33.114 31.823 -0.010 0.000 0.990 40 V HN -0.084 nan 8.190 nan 0.000 0.444 41 P HA 0.197 nan 4.420 nan 0.000 0.265 41 P C 0.970 178.271 177.300 0.001 0.000 1.193 41 P CA 1.196 64.301 63.100 0.009 0.000 0.765 41 P CB 0.594 32.300 31.700 0.011 0.000 0.823 42 G N 1.539 110.343 108.800 0.007 0.000 2.143 42 G HA2 -0.210 3.750 3.960 0.000 0.000 0.249 42 G HA3 -0.210 3.750 3.960 0.000 0.000 0.249 42 G C 0.027 174.906 174.900 -0.035 0.000 0.981 42 G CA -0.372 44.727 45.100 -0.001 0.000 0.665 42 G HN 0.378 nan 8.290 nan 0.000 0.528 43 M N 0.113 119.681 119.600 -0.054 0.000 2.363 43 M HA 0.629 5.109 4.480 0.000 0.000 0.343 43 M C 0.640 176.860 176.300 -0.133 0.000 1.165 43 M CA -0.673 54.551 55.300 -0.127 0.000 1.046 43 M CB 1.498 33.993 32.600 -0.175 0.000 1.648 43 M HN 0.566 nan 8.290 nan 0.000 0.452 44 R N 1.056 121.416 120.500 -0.233 0.000 2.740 44 R HA 0.537 4.878 4.340 0.000 0.000 0.273 44 R C -1.707 174.448 176.300 -0.241 0.000 0.998 44 R CA -0.892 55.102 56.100 -0.177 0.000 0.900 44 R CB 1.964 32.083 30.300 -0.302 0.000 1.223 44 R HN 0.826 nan 8.270 nan 0.000 0.466 45 W N 2.946 124.114 121.300 -0.221 0.000 2.314 45 W HA 0.391 5.051 4.660 0.000 0.000 0.310 45 W C 0.065 176.529 176.519 -0.091 0.000 1.075 45 W CA -0.232 56.972 57.345 -0.236 0.000 1.253 45 W CB 1.784 31.172 29.460 -0.119 0.000 1.238 45 W HN 0.969 nan 8.180 nan 0.000 0.440 46 A N 4.743 127.043 122.820 -0.866 0.000 1.892 46 A HA 0.016 4.337 4.320 0.000 0.000 0.218 46 A C 1.519 179.058 177.584 -0.075 0.000 1.188 46 A CA 1.911 53.627 52.037 -0.535 0.000 0.631 46 A CB -1.308 17.336 19.000 -0.595 0.000 0.822 46 A HN 1.599 nan 8.150 nan 0.000 0.447 47 G N -0.323 108.040 108.800 -0.728 0.000 2.473 47 G HA2 -0.209 3.751 3.960 0.000 0.000 0.289 47 G HA3 -0.209 3.751 3.960 0.000 0.000 0.289 47 G C -0.378 174.482 174.900 -0.065 0.000 1.084 47 G CA 0.211 45.166 45.100 -0.241 0.000 1.215 47 G HN 0.747 nan 8.290 nan 0.000 0.527 48 N N -0.348 118.267 118.700 -0.142 0.000 2.399 48 N HA 0.567 5.307 4.740 0.000 0.000 0.250 48 N C 1.541 177.055 175.510 0.006 0.000 1.272 48 N CA 0.249 53.287 53.050 -0.019 0.000 0.928 48 N CB 0.770 39.245 38.487 -0.020 0.000 1.158 48 N HN 0.545 nan 8.380 nan 0.000 0.463 49 A N 0.525 123.344 122.820 -0.002 0.000 2.030 49 A HA 0.039 4.359 4.320 0.000 0.000 0.215 49 A C 0.280 177.864 177.584 -0.000 0.000 1.164 49 A CA 0.972 52.997 52.037 -0.020 0.000 0.697 49 A CB -0.568 18.382 19.000 -0.082 0.000 0.827 49 A HN 0.852 nan 8.150 nan 0.000 0.457 50 N N -2.653 116.050 118.700 0.005 0.000 2.825 50 N HA 0.313 5.054 4.740 0.000 0.000 0.253 50 N C -0.419 175.086 175.510 -0.008 0.000 1.426 50 N CA -0.392 52.665 53.050 0.011 0.000 0.851 50 N CB 0.392 38.890 38.487 0.017 0.000 1.470 50 N HN -0.164 nan 8.380 nan 0.000 0.517 51 E N -0.323 119.872 120.200 -0.009 0.000 2.107 51 E HA 0.035 4.386 4.350 0.000 0.000 0.191 51 E C 1.389 177.922 176.600 -0.112 0.000 0.982 51 E CA 0.642 57.023 56.400 -0.032 0.000 0.809 51 E CB -0.154 29.545 29.700 -0.003 0.000 0.756 51 E HN 0.511 nan 8.360 nan 0.000 0.459 52 L N 1.167 122.308 121.223 -0.138 0.000 2.017 52 L HA -0.167 4.173 4.340 0.000 0.000 0.208 52 L C 1.326 177.928 176.870 -0.448 0.000 1.073 52 L CA 1.781 56.437 54.840 -0.308 0.000 0.745 52 L CB -0.534 41.373 42.059 -0.253 0.000 0.894 52 L HN 0.048 nan 8.230 nan 0.000 0.432 53 N N 0.236 118.831 118.700 -0.175 0.000 2.166 53 N HA -0.113 4.627 4.740 0.000 0.000 0.186 53 N C 1.868 177.342 175.510 -0.059 0.000 1.019 53 N CA 1.501 54.543 53.050 -0.014 0.000 0.856 53 N CB -0.630 37.886 38.487 0.048 0.000 0.993 53 N HN 0.518 nan 8.380 nan 0.000 0.426 54 A N 0.946 123.713 122.820 -0.088 0.000 1.908 54 A HA -0.051 4.269 4.320 0.000 0.000 0.218 54 A C 2.347 179.822 177.584 -0.181 0.000 1.181 54 A CA 2.122 54.099 52.037 -0.100 0.000 0.627 54 A CB -0.944 18.031 19.000 -0.042 0.000 0.818 54 A HN 0.328 nan 8.150 nan 0.000 0.445 55 A N -1.435 121.272 122.820 -0.188 0.000 1.898 55 A HA -0.017 4.303 4.320 0.000 0.000 0.216 55 A C 2.086 179.649 177.584 -0.036 0.000 1.181 55 A CA 1.537 53.473 52.037 -0.168 0.000 0.620 55 A CB -0.772 18.096 19.000 -0.220 0.000 0.819 55 A HN 0.537 nan 8.150 nan 0.000 0.442 56 Y N 0.014 120.296 120.300 -0.028 0.000 2.128 56 Y HA -0.132 4.418 4.550 0.000 0.000 0.284 56 Y C 2.981 178.750 175.900 -0.218 0.000 1.154 56 Y CA 0.414 58.508 58.100 -0.010 0.000 1.149 56 Y CB -1.221 37.221 38.460 -0.030 0.000 0.976 56 Y HN 0.330 nan 8.280 nan 0.000 0.505 57 A N 0.006 122.715 122.820 -0.185 0.000 1.902 57 A HA -0.089 4.231 4.320 0.000 0.000 0.217 57 A C 2.533 179.633 177.584 -0.806 0.000 1.181 57 A CA 1.897 53.626 52.037 -0.513 0.000 0.623 57 A CB -1.223 17.375 19.000 -0.670 0.000 0.818 57 A HN 0.383 nan 8.150 nan 0.000 0.443 58 A N -0.043 122.295 122.820 -0.804 0.000 1.908 58 A HA -0.259 4.061 4.320 0.000 0.000 0.218 58 A C 1.966 179.518 177.584 -0.053 0.000 1.181 58 A CA 2.067 53.846 52.037 -0.429 0.000 0.627 58 A CB -0.633 18.299 19.000 -0.113 0.000 0.818 58 A HN 0.591 nan 8.150 nan 0.000 0.445 59 D N -0.356 120.058 120.400 0.024 0.000 2.097 59 D HA -0.109 4.531 4.640 0.000 0.000 0.195 59 D C 2.091 178.489 176.300 0.164 0.000 0.989 59 D CA 1.745 55.848 54.000 0.170 0.000 0.827 59 D CB -0.523 40.503 40.800 0.376 0.000 0.966 59 D HN 0.326 nan 8.370 nan 0.000 0.456 60 G N -0.744 108.100 108.800 0.073 0.000 2.418 60 G HA2 -0.313 3.647 3.960 0.000 0.000 0.217 60 G HA3 -0.313 3.647 3.960 0.000 0.000 0.217 60 G C 1.670 176.618 174.900 0.080 0.000 1.158 60 G CA 0.916 46.047 45.100 0.051 0.000 0.771 60 G HN 0.363 nan 8.290 nan 0.000 0.545 61 Y N 1.929 122.206 120.300 -0.038 0.000 2.053 61 Y HA -0.128 4.422 4.550 0.000 0.000 0.277 61 Y C 3.031 178.954 175.900 0.038 0.000 1.159 61 Y CA 1.949 60.077 58.100 0.047 0.000 1.125 61 Y CB -0.451 38.107 38.460 0.162 0.000 0.969 61 Y HN 0.252 nan 8.280 nan 0.000 0.492 62 A N 0.367 123.327 122.820 0.235 0.000 1.978 62 A HA -0.240 4.080 4.320 0.000 0.000 0.220 62 A C 2.250 179.838 177.584 0.006 0.000 1.170 62 A CA 1.954 54.065 52.037 0.123 0.000 0.636 62 A CB -0.659 18.429 19.000 0.146 0.000 0.810 62 A HN 0.580 nan 8.150 nan 0.000 0.448 63 R N -1.430 119.088 120.500 0.029 0.000 2.115 63 R HA -0.031 4.309 4.340 0.000 0.000 0.230 63 R C 1.684 177.859 176.300 -0.208 0.000 1.111 63 R CA 1.324 57.442 56.100 0.031 0.000 0.976 63 R CB -0.298 30.123 30.300 0.201 0.000 0.870 63 R HN 0.437 nan 8.270 nan 0.000 0.445 64 L N -0.315 120.722 121.223 -0.310 0.000 2.298 64 L HA 0.041 4.381 4.340 0.000 0.000 0.209 64 L C 1.958 178.612 176.870 -0.359 0.000 1.084 64 L CA 1.306 55.857 54.840 -0.482 0.000 0.816 64 L CB 0.115 41.921 42.059 -0.422 0.000 0.967 64 L HN -0.143 nan 8.230 nan 0.000 0.460 65 K N -1.333 118.862 120.400 -0.341 0.000 2.334 65 K HA 0.287 4.607 4.320 0.000 0.000 0.195 65 K C 1.263 177.807 176.600 -0.093 0.000 1.045 65 K CA 0.859 56.978 56.287 -0.280 0.000 1.004 65 K CB 0.533 32.722 32.500 -0.518 0.000 0.837 65 K HN 0.206 nan 8.250 nan 0.000 0.510 66 G N 0.124 108.878 108.800 -0.076 0.000 2.436 66 G HA2 -0.215 3.745 3.960 0.000 0.000 0.204 66 G HA3 -0.215 3.745 3.960 0.000 0.000 0.204 66 G C 0.089 174.985 174.900 -0.008 0.000 1.026 66 G CA 0.167 45.237 45.100 -0.051 0.000 0.658 66 G HN 0.345 nan 8.290 nan 0.000 0.499 67 M N -0.856 118.825 119.600 0.134 0.000 3.008 67 M HA 0.769 5.249 4.480 0.000 0.000 0.271 67 M C -0.676 175.800 176.300 0.292 0.000 1.265 67 M CA -0.041 55.369 55.300 0.183 0.000 0.817 67 M CB 1.840 34.583 32.600 0.239 0.000 1.638 67 M HN 1.228 nan 8.290 nan 0.000 0.479 68 S N -0.020 115.841 115.700 0.269 0.000 2.625 68 S HA 0.806 5.276 4.470 0.000 0.000 0.271 68 S C -1.623 173.088 174.600 0.186 0.000 1.161 68 S CA -0.758 57.627 58.200 0.308 0.000 0.820 68 S CB 1.742 65.153 63.200 0.353 0.000 1.137 68 S HN 1.270 nan 8.310 nan 0.000 0.470 69 C N 2.196 121.585 119.300 0.148 0.000 2.397 69 C HA 0.766 5.227 4.460 0.000 0.000 0.325 69 C C -0.538 174.560 174.990 0.180 0.000 1.201 69 C CA -0.597 58.502 59.018 0.134 0.000 1.377 69 C CB -0.603 27.196 27.740 0.098 0.000 2.038 69 C HN 0.949 nan 8.230 nan 0.000 0.457 70 I N 7.130 127.806 120.570 0.177 0.000 2.441 70 I HA 0.628 4.798 4.170 0.000 0.000 0.295 70 I C -0.990 175.277 176.117 0.250 0.000 0.994 70 I CA -0.811 60.597 61.300 0.181 0.000 1.144 70 I CB 1.231 39.259 38.000 0.046 0.000 1.314 70 I HN 0.661 nan 8.210 nan 0.000 0.445 71 I N 7.028 127.783 120.570 0.308 0.000 2.389 71 I HA 0.366 4.536 4.170 0.000 0.000 0.288 71 I C 0.037 176.363 176.117 0.348 0.000 0.999 71 I CA -0.300 61.200 61.300 0.334 0.000 1.129 71 I CB 1.928 40.144 38.000 0.359 0.000 1.288 71 I HN 0.585 nan 8.210 nan 0.000 0.444 72 T N 0.789 115.529 114.554 0.310 0.000 2.858 72 T HA 0.668 5.018 4.350 0.000 0.000 0.285 72 T C -0.115 174.709 174.700 0.207 0.000 1.052 72 T CA -0.737 61.529 62.100 0.277 0.000 1.009 72 T CB 1.928 71.009 68.868 0.354 0.000 1.241 72 T HN 0.547 nan 8.240 nan 0.000 0.542 73 T N -0.777 113.892 114.554 0.192 0.000 2.895 73 T HA 0.584 4.935 4.350 0.000 0.000 0.283 73 T C -0.271 174.574 174.700 0.241 0.000 1.014 73 T CA -0.823 61.410 62.100 0.222 0.000 1.037 73 T CB 0.643 69.627 68.868 0.194 0.000 1.006 73 T HN 0.624 nan 8.240 nan 0.000 0.468 74 F N 2.893 122.936 119.950 0.155 0.000 2.537 74 F HA 0.262 4.789 4.527 0.000 0.000 0.402 74 F C 1.521 177.289 175.800 -0.053 0.000 1.005 74 F CA 1.867 59.931 58.000 0.107 0.000 1.203 74 F CB -0.674 38.433 39.000 0.178 0.000 0.955 74 F HN 1.286 nan 8.300 nan 0.000 0.547 75 G N 4.012 112.190 108.800 -1.036 0.000 4.610 75 G HA2 -0.386 3.575 3.960 0.000 0.000 0.323 75 G HA3 -0.386 3.575 3.960 0.000 0.000 0.323 75 G C 1.071 175.559 174.900 -0.686 0.000 1.377 75 G CA 1.316 45.453 45.100 -1.605 0.000 1.023 75 G HN 1.625 nan 8.290 nan 0.000 0.755 76 V N -0.110 119.605 119.914 -0.331 0.000 2.343 76 V HA 0.228 4.348 4.120 0.000 0.000 0.247 76 V C 2.787 178.843 176.094 -0.064 0.000 1.051 76 V CA 2.853 65.072 62.300 -0.135 0.000 1.036 76 V CB -1.489 30.314 31.823 -0.032 0.000 0.654 76 V HN 1.629 nan 8.190 nan 0.000 0.451 77 G N 1.319 110.110 108.800 -0.015 0.000 2.395 77 G HA2 -0.173 3.787 3.960 0.000 0.000 0.214 77 G HA3 -0.173 3.787 3.960 0.000 0.000 0.214 77 G C 1.510 176.456 174.900 0.078 0.000 1.177 77 G CA 0.803 45.935 45.100 0.054 0.000 0.794 77 G HN 0.780 nan 8.290 nan 0.000 0.532 78 E N 0.393 120.644 120.200 0.085 0.000 2.106 78 E HA -0.013 4.337 4.350 0.000 0.000 0.192 78 E C 2.332 179.024 176.600 0.154 0.000 0.984 78 E CA 0.552 57.094 56.400 0.236 0.000 0.806 78 E CB -0.440 29.388 29.700 0.213 0.000 0.750 78 E HN 0.411 nan 8.360 nan 0.000 0.458 79 L N 1.243 122.465 121.223 -0.002 0.000 2.217 79 L HA -0.062 4.279 4.340 0.000 0.000 0.211 79 L C 2.391 179.275 176.870 0.023 0.000 1.107 79 L CA 0.853 55.701 54.840 0.013 0.000 0.783 79 L CB -0.237 41.794 42.059 -0.046 0.000 0.919 79 L HN 0.150 nan 8.230 nan 0.000 0.442 80 S N 0.076 115.780 115.700 0.007 0.000 2.442 80 S HA -0.087 4.383 4.470 0.000 0.000 0.236 80 S C 1.943 176.527 174.600 -0.026 0.000 1.007 80 S CA 1.109 59.308 58.200 -0.001 0.000 0.965 80 S CB -0.054 63.146 63.200 -0.001 0.000 0.773 80 S HN 0.502 nan 8.310 nan 0.000 0.504 81 A N 0.653 123.460 122.820 -0.023 0.000 2.195 81 A HA 0.345 4.665 4.320 0.000 0.000 0.210 81 A C 1.806 179.346 177.584 -0.072 0.000 1.165 81 A CA -0.003 51.974 52.037 -0.101 0.000 0.806 81 A CB -0.284 18.604 19.000 -0.187 0.000 0.847 81 A HN 0.394 nan 8.150 nan 0.000 0.482 82 L N -0.054 121.177 121.223 0.013 0.000 2.079 82 L HA -0.229 4.111 4.340 0.000 0.000 0.210 82 L C 2.430 179.327 176.870 0.045 0.000 1.081 82 L CA 1.989 56.857 54.840 0.047 0.000 0.752 82 L CB -0.659 41.447 42.059 0.077 0.000 0.896 82 L HN 0.543 nan 8.230 nan 0.000 0.433 83 N N 0.434 119.179 118.700 0.075 0.000 2.244 83 N HA -0.121 4.620 4.740 0.000 0.000 0.183 83 N C 1.790 177.413 175.510 0.187 0.000 1.016 83 N CA 1.317 54.489 53.050 0.204 0.000 0.866 83 N CB -0.090 38.556 38.487 0.264 0.000 0.980 83 N HN 0.224 nan 8.380 nan 0.000 0.430 84 G N 0.786 109.582 108.800 -0.007 0.000 2.414 84 G HA2 -0.147 3.813 3.960 0.000 0.000 0.215 84 G HA3 -0.147 3.813 3.960 0.000 0.000 0.215 84 G C 1.373 176.284 174.900 0.018 0.000 1.188 84 G CA 0.710 45.815 45.100 0.009 0.000 0.783 84 G HN 0.249 nan 8.290 nan 0.000 0.537 85 I N 2.108 122.655 120.570 -0.039 0.000 2.208 85 I HA -0.171 3.999 4.170 0.000 0.000 0.245 85 I C 3.259 179.311 176.117 -0.108 0.000 1.097 85 I CA 1.238 62.520 61.300 -0.030 0.000 1.363 85 I CB -1.412 36.607 38.000 0.031 0.000 1.051 85 I HN 0.263 nan 8.210 nan 0.000 0.413 86 A N 1.030 123.727 122.820 -0.206 0.000 1.902 86 A HA -0.106 4.215 4.320 0.000 0.000 0.217 86 A C 2.540 179.538 177.584 -0.978 0.000 1.181 86 A CA 1.897 53.636 52.037 -0.497 0.000 0.623 86 A CB -1.373 17.355 19.000 -0.454 0.000 0.818 86 A HN 0.430 nan 8.150 nan 0.000 0.443 87 G N -0.741 107.389 108.800 -1.117 0.000 2.442 87 G HA2 -0.157 3.803 3.960 0.000 0.000 0.219 87 G HA3 -0.157 3.803 3.960 0.000 0.000 0.219 87 G C 1.777 176.419 174.900 -0.430 0.000 1.141 87 G CA 1.353 45.788 45.100 -1.108 0.000 0.763 87 G HN 0.505 nan 8.290 nan 0.000 0.554 88 S N -0.612 114.960 115.700 -0.213 0.000 2.402 88 S HA -0.080 4.390 4.470 0.000 0.000 0.229 88 S C 1.910 176.461 174.600 -0.081 0.000 1.021 88 S CA 0.872 59.028 58.200 -0.072 0.000 0.974 88 S CB -0.359 62.851 63.200 0.017 0.000 0.800 88 S HN 0.537 nan 8.310 nan 0.000 0.484 89 Y N 2.209 122.356 120.300 -0.254 0.000 2.200 89 Y HA -0.029 4.521 4.550 -0.000 0.000 0.290 89 Y C 2.397 178.142 175.900 -0.259 0.000 1.137 89 Y CA 0.978 58.928 58.100 -0.249 0.000 1.163 89 Y CB -0.511 37.803 38.460 -0.244 0.000 0.988 89 Y HN 0.233 nan 8.280 nan 0.000 0.518 90 A N 0.033 122.771 122.820 -0.135 0.000 1.930 90 A HA -0.124 4.196 4.320 0.000 0.000 0.217 90 A C 1.834 179.419 177.584 0.001 0.000 1.175 90 A CA 1.735 53.728 52.037 -0.073 0.000 0.627 90 A CB -0.414 18.530 19.000 -0.094 0.000 0.815 90 A HN 0.596 nan 8.150 nan 0.000 0.443 91 E N -0.808 119.375 120.200 -0.029 0.000 2.463 91 E HA 0.074 4.425 4.350 0.000 0.000 0.193 91 E C -0.931 175.765 176.600 0.159 0.000 1.041 91 E CA -0.238 56.188 56.400 0.043 0.000 0.879 91 E CB -0.138 29.538 29.700 -0.039 0.000 0.997 91 E HN 0.722 nan 8.360 nan 0.000 0.478 92 H N -0.266 118.729 119.070 -0.124 0.000 2.794 92 H HA -0.117 4.439 4.556 0.000 0.000 0.334 92 H C -0.802 174.492 175.328 -0.056 0.000 1.154 92 H CA -0.056 55.933 56.048 -0.098 0.000 1.129 92 H CB -1.694 28.044 29.762 -0.041 0.000 1.600 92 H HN -0.047 nan 8.280 nan 0.000 0.410 93 V N 0.429 120.363 119.914 0.034 0.000 2.448 93 V HA 0.369 4.489 4.120 0.000 0.000 0.295 93 V C 1.129 177.237 176.094 0.024 0.000 1.025 93 V CA -0.117 62.205 62.300 0.036 0.000 0.859 93 V CB 2.040 33.905 31.823 0.071 0.000 0.988 93 V HN 0.610 nan 8.190 nan 0.000 0.431 94 G N 3.978 112.785 108.800 0.012 0.000 2.716 94 G HA2 0.442 4.402 3.960 0.000 0.000 0.296 94 G HA3 0.442 4.402 3.960 0.000 0.000 0.296 94 G C -0.476 174.472 174.900 0.080 0.000 0.811 94 G CA -0.008 45.108 45.100 0.026 0.000 1.758 94 G HN 0.508 nan 8.290 nan 0.000 0.512 95 V N 3.785 123.754 119.914 0.091 0.000 2.448 95 V HA 0.361 4.481 4.120 0.000 0.000 0.295 95 V C -0.241 175.930 176.094 0.128 0.000 1.025 95 V CA -0.946 61.422 62.300 0.113 0.000 0.859 95 V CB 1.765 33.644 31.823 0.093 0.000 0.988 95 V HN 0.578 nan 8.190 nan 0.000 0.431 96 L N 5.033 126.336 121.223 0.134 0.000 2.257 96 L HA 0.480 4.820 4.340 0.000 0.000 0.290 96 L C -0.185 176.784 176.870 0.165 0.000 1.044 96 L CA 0.191 55.109 54.840 0.131 0.000 0.810 96 L CB 0.613 42.730 42.059 0.097 0.000 1.193 96 L HN 0.771 nan 8.230 nan 0.000 0.425 97 H N 4.834 123.923 119.070 0.032 0.000 2.581 97 H HA 0.496 5.053 4.556 0.001 0.000 0.308 97 H C -1.305 173.951 175.328 -0.121 0.000 1.040 97 H CA -0.968 55.081 56.048 0.002 0.000 1.231 97 H CB 1.115 30.908 29.762 0.051 0.000 1.396 97 H HN 0.486 nan 8.280 nan 0.000 0.467 98 V N 6.781 126.723 119.914 0.048 0.000 2.407 98 V HA 0.141 4.261 4.120 0.000 0.000 0.278 98 V C -0.174 175.813 176.094 -0.179 0.000 1.037 98 V CA -0.647 61.566 62.300 -0.145 0.000 0.900 98 V CB 1.415 33.206 31.823 -0.052 0.000 0.983 98 V HN 0.505 nan 8.190 nan 0.000 0.459 99 V N 4.109 123.796 119.914 -0.378 0.000 2.357 99 V HA 0.567 4.687 4.120 0.000 0.000 0.284 99 V C 0.811 176.857 176.094 -0.080 0.000 1.018 99 V CA -0.548 61.616 62.300 -0.226 0.000 0.841 99 V CB 1.551 33.172 31.823 -0.336 0.000 0.991 99 V HN 0.941 nan 8.190 nan 0.000 0.437 100 G N 3.830 112.651 108.800 0.036 0.000 2.361 100 G HA2 0.515 4.475 3.960 0.000 0.000 0.260 100 G HA3 0.515 4.475 3.960 0.000 0.000 0.260 100 G C -0.253 174.725 174.900 0.129 0.000 1.261 100 G CA 0.041 45.183 45.100 0.071 0.000 0.897 100 G HN 1.011 nan 8.290 nan 0.000 0.499 101 V N 0.667 120.568 119.914 -0.021 0.000 3.126 101 V HA 0.808 4.928 4.120 0.000 0.000 0.314 101 V C -2.672 173.022 176.094 -0.667 0.000 1.138 101 V CA -2.939 59.191 62.300 -0.283 0.000 1.034 101 V CB 2.121 33.821 31.823 -0.205 0.000 1.075 101 V HN 0.491 nan 8.190 nan 0.000 0.442 102 P HA 0.188 nan 4.420 nan 0.000 0.269 102 P C 0.217 177.157 177.300 -0.600 0.000 1.217 102 P CA 0.403 62.737 63.100 -1.277 0.000 0.783 102 P CB 0.288 31.207 31.700 -1.302 0.000 0.898 109 K N 0.356 120.725 120.400 -0.052 0.000 2.285 109 K HA -0.405 3.915 4.320 0.000 0.000 0.214 109 K C 1.283 177.878 176.600 -0.008 0.000 1.015 109 K CA 2.535 58.812 56.287 -0.016 0.000 0.930 109 K CB -0.720 31.779 32.500 -0.001 0.000 0.887 109 K HN 0.659 nan 8.250 nan 0.000 0.486 110 Q N 0.556 120.335 119.800 -0.036 0.000 2.046 110 Q HA -0.086 4.254 4.340 0.000 0.000 0.200 110 Q C 2.419 178.402 176.000 -0.028 0.000 0.975 110 Q CA 1.294 57.109 55.803 0.019 0.000 0.836 110 Q CB -0.402 28.300 28.738 -0.061 0.000 0.896 110 Q HN 0.385 nan 8.270 nan 0.000 0.428 111 L N 1.075 122.150 121.223 -0.247 0.000 2.046 111 L HA -0.139 4.201 4.340 0.000 0.000 0.208 111 L C 2.079 178.839 176.870 -0.184 0.000 1.077 111 L CA 1.422 56.009 54.840 -0.422 0.000 0.747 111 L CB -0.761 40.855 42.059 -0.738 0.000 0.896 111 L HN 0.116 nan 8.230 nan 0.000 0.432 112 L N -0.715 120.456 121.223 -0.085 0.000 2.017 112 L HA -0.208 4.132 4.340 0.000 0.000 0.208 112 L C 2.601 179.569 176.870 0.163 0.000 1.073 112 L CA 1.751 56.671 54.840 0.133 0.000 0.745 112 L CB -1.395 40.741 42.059 0.128 0.000 0.894 112 L HN 0.338 nan 8.230 nan 0.000 0.432 113 L N -1.551 119.733 121.223 0.102 0.000 2.093 113 L HA -0.202 4.138 4.340 0.000 0.000 0.208 113 L C 2.507 179.401 176.870 0.039 0.000 1.085 113 L CA 0.855 55.725 54.840 0.051 0.000 0.755 113 L CB -0.597 41.456 42.059 -0.011 0.000 0.904 113 L HN 0.390 nan 8.230 nan 0.000 0.435 114 H N -2.165 116.981 119.070 0.126 0.000 2.535 114 H HA -0.016 4.540 4.556 0.000 0.000 0.273 114 H C 0.251 175.801 175.328 0.371 0.000 0.983 114 H CA 0.257 56.435 56.048 0.217 0.000 1.238 114 H CB 0.150 30.023 29.762 0.184 0.000 1.412 114 H HN 0.267 nan 8.280 nan 0.000 0.562 115 H N 0.462 119.757 119.070 0.375 0.000 2.652 115 H HA 0.146 4.702 4.556 0.001 0.000 0.298 115 H C 0.112 175.625 175.328 0.308 0.000 1.076 115 H CA 0.109 56.449 56.048 0.486 0.000 1.360 115 H CB 0.673 30.740 29.762 0.508 0.000 1.421 115 H HN -0.089 nan 8.280 nan 0.000 0.464 116 T N 5.623 120.134 114.554 -0.072 0.000 3.144 116 T HA -0.020 4.330 4.350 0.000 0.000 0.290 116 T C 1.581 176.208 174.700 -0.121 0.000 0.966 116 T CA -0.253 61.825 62.100 -0.036 0.000 0.907 116 T CB 0.061 68.976 68.868 0.079 0.000 1.152 116 T HN 0.381 nan 8.240 nan 0.000 0.532 117 L N 2.497 123.528 121.223 -0.320 0.000 2.187 117 L HA 0.183 4.523 4.340 0.000 0.000 0.213 117 L C 1.614 178.402 176.870 -0.138 0.000 1.100 117 L CA 1.678 56.402 54.840 -0.194 0.000 0.765 117 L CB -1.043 40.913 42.059 -0.170 0.000 0.904 117 L HN 0.517 nan 8.230 nan 0.000 0.437 118 G N 0.139 108.835 108.800 -0.175 0.000 2.371 118 G HA2 -0.362 3.599 3.960 0.000 0.000 0.299 118 G HA3 -0.362 3.599 3.960 0.000 0.000 0.299 118 G C 0.568 175.457 174.900 -0.018 0.000 1.014 118 G CA 0.687 45.757 45.100 -0.051 0.000 1.097 118 G HN 0.663 nan 8.290 nan 0.000 0.512 119 N N -0.368 118.335 118.700 0.005 0.000 2.197 119 N HA 0.318 5.058 4.740 0.000 0.000 0.201 119 N C 1.528 177.053 175.510 0.026 0.000 1.148 119 N CA 0.835 53.897 53.050 0.019 0.000 0.883 119 N CB 0.010 38.506 38.487 0.016 0.000 1.012 119 N HN 1.613 nan 8.380 nan 0.000 0.507 120 G N 0.534 109.374 108.800 0.066 0.000 2.176 120 G HA2 -0.230 3.731 3.960 0.000 0.000 0.252 120 G HA3 -0.230 3.731 3.960 0.000 0.000 0.252 120 G C -0.812 174.062 174.900 -0.043 0.000 1.024 120 G CA 0.399 45.522 45.100 0.037 0.000 0.755 120 G HN 0.667 nan 8.290 nan 0.000 0.507 121 D N -0.972 119.409 120.400 -0.031 0.000 2.318 121 D HA 0.383 5.023 4.640 0.000 0.000 0.233 121 D C 0.939 176.948 176.300 -0.485 0.000 1.348 121 D CA -0.737 53.079 54.000 -0.307 0.000 0.983 121 D CB -0.253 40.402 40.800 -0.241 0.000 1.416 121 D HN 0.194 nan 8.370 nan 0.000 0.558 122 F N 1.260 120.962 119.950 -0.415 0.000 2.811 122 F HA 0.151 4.678 4.527 -0.001 0.000 0.301 122 F C 1.810 177.445 175.800 -0.274 0.000 1.151 122 F CA 0.571 58.174 58.000 -0.660 0.000 1.412 122 F CB -0.865 37.933 39.000 -0.336 0.000 1.113 122 F HN 0.231 nan 8.300 nan 0.000 0.579 123 T N -3.052 111.395 114.554 -0.178 0.000 3.129 123 T HA 0.042 4.392 4.350 0.000 0.000 0.251 123 T C 1.837 176.463 174.700 -0.123 0.000 1.117 123 T CA 0.657 62.763 62.100 0.010 0.000 1.034 123 T CB -0.582 68.258 68.868 -0.047 0.000 0.968 123 T HN 0.222 nan 8.240 nan 0.000 0.526 124 V N 0.972 120.683 119.914 -0.338 0.000 2.324 124 V HA -0.130 3.990 4.120 0.000 0.000 0.250 124 V C 1.965 177.870 176.094 -0.315 0.000 1.060 124 V CA 1.882 63.945 62.300 -0.395 0.000 1.042 124 V CB -0.845 30.677 31.823 -0.501 0.000 0.650 124 V HN 0.549 nan 8.190 nan 0.000 0.450 125 F N 0.066 120.020 119.950 0.007 0.000 2.259 125 F HA 0.002 4.530 4.527 0.000 0.000 0.298 125 F C 2.390 178.154 175.800 -0.059 0.000 1.088 125 F CA 1.643 59.636 58.000 -0.012 0.000 1.358 125 F CB -1.306 37.678 39.000 -0.027 0.000 1.040 125 F HN 0.390 nan 8.300 nan 0.000 0.505 126 H N 0.808 119.855 119.070 -0.040 0.000 2.321 126 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 126 H C 2.653 177.761 175.328 -0.368 0.000 1.087 126 H CA 1.588 57.407 56.048 -0.381 0.000 1.319 126 H CB 0.000 29.701 29.762 -0.102 0.000 1.379 126 H HN 0.187 nan 8.280 nan 0.000 0.501 127 R N 0.313 120.627 120.500 -0.311 0.000 2.081 127 R HA -0.126 4.214 4.340 0.000 0.000 0.235 127 R C 2.472 178.638 176.300 -0.225 0.000 1.131 127 R CA 1.712 57.611 56.100 -0.335 0.000 0.960 127 R CB -0.093 30.054 30.300 -0.255 0.000 0.856 127 R HN 0.380 nan 8.270 nan 0.000 0.436 128 M N -0.130 119.385 119.600 -0.141 0.000 2.086 128 M HA -0.138 4.342 4.480 0.000 0.000 0.261 128 M C 2.357 178.597 176.300 -0.100 0.000 1.067 128 M CA 1.780 57.033 55.300 -0.079 0.000 1.116 128 M CB -0.135 32.474 32.600 0.014 0.000 1.348 128 M HN 0.115 nan 8.290 nan 0.000 0.407 129 S N 0.260 115.876 115.700 -0.140 0.000 2.399 129 S HA -0.108 4.362 4.470 0.000 0.000 0.231 129 S C 1.984 176.483 174.600 -0.169 0.000 1.022 129 S CA 1.428 59.541 58.200 -0.145 0.000 0.983 129 S CB -0.275 62.788 63.200 -0.227 0.000 0.803 129 S HN 0.438 nan 8.310 nan 0.000 0.480 130 S N 2.514 118.074 115.700 -0.233 0.000 2.387 130 S HA -0.137 4.333 4.470 0.000 0.000 0.230 130 S C 1.659 176.157 174.600 -0.170 0.000 1.035 130 S CA 0.989 59.079 58.200 -0.183 0.000 1.014 130 S CB -0.477 62.587 63.200 -0.227 0.000 0.836 130 S HN 0.537 nan 8.310 nan 0.000 0.466 131 N N 1.700 120.289 118.700 -0.185 0.000 2.289 131 N HA -0.052 4.688 4.740 0.000 0.000 0.184 131 N C 1.307 176.602 175.510 -0.359 0.000 1.016 131 N CA 1.259 54.182 53.050 -0.210 0.000 0.872 131 N CB -0.184 38.208 38.487 -0.158 0.000 0.973 131 N HN 0.653 nan 8.380 nan 0.000 0.433 132 I N -2.982 117.371 120.570 -0.362 0.000 3.707 132 I HA 0.345 4.515 4.170 0.000 0.000 0.330 132 I C -0.575 175.312 176.117 -0.384 0.000 1.572 132 I CA -0.387 60.557 61.300 -0.593 0.000 1.104 132 I CB 0.454 38.251 38.000 -0.337 0.000 1.240 132 I HN -0.288 nan 8.210 nan 0.000 0.475 133 S N 1.044 116.625 115.700 -0.198 0.000 2.503 133 S HA 0.267 4.738 4.470 0.000 0.000 0.301 133 S C 0.735 175.447 174.600 0.187 0.000 1.087 133 S CA -0.432 57.815 58.200 0.079 0.000 1.042 133 S CB 2.591 65.858 63.200 0.111 0.000 1.043 133 S HN 0.360 nan 8.310 nan 0.000 0.489 134 E N 2.385 122.749 120.200 0.273 0.000 2.058 134 E HA -0.106 4.245 4.350 0.000 0.000 0.194 134 E C 0.513 177.195 176.600 0.137 0.000 0.997 134 E CA 1.761 58.284 56.400 0.205 0.000 0.801 134 E CB 0.105 29.879 29.700 0.124 0.000 0.746 134 E HN 0.789 nan 8.360 nan 0.000 0.450 135 T N -2.544 112.089 114.554 0.133 0.000 2.671 135 T HA 0.588 4.938 4.350 0.000 0.000 0.300 135 T C -0.532 174.263 174.700 0.159 0.000 1.238 135 T CA -0.484 61.687 62.100 0.119 0.000 1.020 135 T CB 1.445 70.378 68.868 0.108 0.000 1.503 135 T HN 0.196 nan 8.240 nan 0.000 0.497 136 T N -2.379 112.281 114.554 0.177 0.000 2.853 136 T HA 0.813 5.163 4.350 0.000 0.000 0.311 136 T C -1.694 173.132 174.700 0.210 0.000 1.307 136 T CA -0.682 61.581 62.100 0.271 0.000 1.019 136 T CB 1.628 70.737 68.868 0.400 0.000 1.264 136 T HN 1.456 nan 8.240 nan 0.000 0.497 137 A N 1.822 124.744 122.820 0.170 0.000 2.455 137 A HA 0.793 5.113 4.320 0.000 0.000 0.300 137 A C -0.884 176.692 177.584 -0.013 0.000 1.040 137 A CA -0.860 51.222 52.037 0.075 0.000 0.697 137 A CB 1.832 20.852 19.000 0.035 0.000 1.265 137 A HN 1.107 nan 8.150 nan 0.000 0.407 138 M N 4.252 123.823 119.600 -0.050 0.000 2.043 138 M HA 0.482 4.963 4.480 0.000 0.000 0.322 138 M C -1.253 175.013 176.300 -0.056 0.000 0.962 138 M CA -0.655 54.580 55.300 -0.110 0.000 0.927 138 M CB 0.280 32.786 32.600 -0.158 0.000 1.466 138 M HN 0.527 nan 8.290 nan 0.000 0.412 139 I N 5.071 125.598 120.570 -0.071 0.000 2.533 139 I HA 0.140 4.310 4.170 0.000 0.000 0.284 139 I C 1.012 177.090 176.117 -0.066 0.000 1.109 139 I CA 0.475 61.737 61.300 -0.064 0.000 1.412 139 I CB 0.332 38.286 38.000 -0.077 0.000 1.396 139 I HN 0.931 nan 8.210 nan 0.000 0.543 140 T N 0.064 114.587 114.554 -0.052 0.000 2.966 140 T HA 0.117 4.467 4.350 0.000 0.000 0.254 140 T C 0.261 174.929 174.700 -0.053 0.000 0.961 140 T CA -0.211 61.857 62.100 -0.054 0.000 0.915 140 T CB 0.446 69.291 68.868 -0.038 0.000 1.186 140 T HN 0.435 nan 8.240 nan 0.000 0.505 141 D N 0.647 121.017 120.400 -0.050 0.000 2.481 141 D HA 0.360 5.001 4.640 0.000 0.000 0.246 141 D C 0.714 176.976 176.300 -0.062 0.000 1.109 141 D CA -0.938 53.033 54.000 -0.049 0.000 0.845 141 D CB 1.524 42.302 40.800 -0.038 0.000 1.160 141 D HN 0.012 nan 8.370 nan 0.000 0.534 142 I N 4.139 124.669 120.570 -0.067 0.000 2.530 142 I HA -0.189 3.981 4.170 0.000 0.000 0.257 142 I C 1.408 177.471 176.117 -0.090 0.000 1.179 142 I CA 1.219 62.469 61.300 -0.083 0.000 1.440 142 I CB -0.119 37.836 38.000 -0.075 0.000 1.087 142 I HN 0.398 nan 8.210 nan 0.000 0.440 143 N N -0.256 118.403 118.700 -0.069 0.000 2.270 143 N HA -0.096 4.645 4.740 0.000 0.000 0.181 143 N C 1.624 177.092 175.510 -0.070 0.000 1.016 143 N CA 1.855 54.866 53.050 -0.065 0.000 0.870 143 N CB -0.336 38.123 38.487 -0.046 0.000 0.979 143 N HN 0.554 nan 8.380 nan 0.000 0.431 144 T N -2.784 111.731 114.554 -0.064 0.000 3.054 144 T HA 0.454 4.804 4.350 0.000 0.000 0.255 144 T C 1.757 176.410 174.700 -0.078 0.000 1.035 144 T CA 0.214 62.278 62.100 -0.059 0.000 0.941 144 T CB 0.395 69.242 68.868 -0.036 0.000 1.026 144 T HN 0.071 nan 8.240 nan 0.000 0.533 145 A N 3.055 125.811 122.820 -0.107 0.000 1.877 145 A HA 0.124 4.444 4.320 0.000 0.000 0.216 145 A C 0.131 177.612 177.584 -0.171 0.000 1.186 145 A CA 1.174 53.136 52.037 -0.125 0.000 0.620 145 A CB -1.582 17.334 19.000 -0.140 0.000 0.822 145 A HN 0.465 nan 8.150 nan 0.000 0.443 146 P HA -0.136 nan 4.420 nan 0.000 0.215 146 P C 1.732 178.979 177.300 -0.089 0.000 1.153 146 P CA 1.975 64.814 63.100 -0.435 0.000 0.853 146 P CB -0.116 31.186 31.700 -0.662 0.000 0.788 147 A N -0.175 122.610 122.820 -0.059 0.000 1.933 147 A HA -0.212 4.108 4.320 0.000 0.000 0.218 147 A C 2.221 179.815 177.584 0.017 0.000 1.175 147 A CA 1.507 53.546 52.037 0.004 0.000 0.628 147 A CB -1.040 17.957 19.000 -0.005 0.000 0.814 147 A HN 0.075 nan 8.150 nan 0.000 0.444 148 E N -0.028 120.169 120.200 -0.004 0.000 2.047 148 E HA -0.129 4.221 4.350 0.000 0.000 0.191 148 E C 2.030 178.644 176.600 0.024 0.000 0.987 148 E CA 0.992 57.397 56.400 0.008 0.000 0.799 148 E CB -0.408 29.287 29.700 -0.008 0.000 0.752 148 E HN 0.713 nan 8.360 nan 0.000 0.449 149 I N 1.748 122.333 120.570 0.025 0.000 2.151 149 I HA -0.319 3.851 4.170 0.000 0.000 0.243 149 I C 1.955 178.120 176.117 0.080 0.000 1.080 149 I CA 1.431 62.766 61.300 0.058 0.000 1.339 149 I CB -0.359 37.713 38.000 0.119 0.000 1.039 149 I HN -0.003 nan 8.210 nan 0.000 0.409 150 D N 0.319 120.787 120.400 0.113 0.000 2.116 150 D HA -0.226 4.414 4.640 0.000 0.000 0.193 150 D C 2.175 178.511 176.300 0.060 0.000 0.998 150 D CA 1.209 55.260 54.000 0.084 0.000 0.836 150 D CB -0.358 40.501 40.800 0.097 0.000 0.951 150 D HN 0.251 nan 8.370 nan 0.000 0.449 151 R N 0.176 120.711 120.500 0.057 0.000 2.083 151 R HA -0.140 4.200 4.340 0.000 0.000 0.237 151 R C 2.259 178.599 176.300 0.066 0.000 1.137 151 R CA 1.672 57.807 56.100 0.058 0.000 0.951 151 R CB -0.547 29.783 30.300 0.051 0.000 0.851 151 R HN 0.202 nan 8.270 nan 0.000 0.434 152 C N 0.331 119.668 119.300 0.061 0.000 2.413 152 C HA -0.097 4.363 4.460 0.000 0.000 0.276 152 C C 2.593 177.628 174.990 0.076 0.000 1.236 152 C CA 0.660 59.719 59.018 0.068 0.000 1.735 152 C CB -0.848 26.921 27.740 0.048 0.000 2.031 152 C HN 0.532 nan 8.230 nan 0.000 0.474 153 I N 0.271 120.878 120.570 0.062 0.000 2.142 153 I HA -0.221 3.949 4.170 0.000 0.000 0.240 153 I C 2.860 179.034 176.117 0.096 0.000 1.078 153 I CA 1.620 62.961 61.300 0.067 0.000 1.343 153 I CB -0.608 37.408 38.000 0.026 0.000 1.046 153 I HN 0.308 nan 8.210 nan 0.000 0.405 154 R N 0.535 121.081 120.500 0.078 0.000 2.094 154 R HA -0.208 4.132 4.340 0.000 0.000 0.239 154 R C 2.281 178.670 176.300 0.149 0.000 1.137 154 R CA 2.508 58.669 56.100 0.101 0.000 0.943 154 R CB -0.446 29.900 30.300 0.077 0.000 0.850 154 R HN 0.300 nan 8.270 nan 0.000 0.433 155 T N -0.023 114.603 114.554 0.120 0.000 2.746 155 T HA -0.112 4.238 4.350 0.000 0.000 0.267 155 T C 1.752 176.527 174.700 0.125 0.000 1.039 155 T CA 1.827 63.998 62.100 0.118 0.000 1.142 155 T CB -0.379 68.549 68.868 0.100 0.000 0.866 155 T HN 0.408 nan 8.240 nan 0.000 0.444 156 T N 0.929 115.561 114.554 0.130 0.000 2.652 156 T HA -0.142 4.208 4.350 0.000 0.000 0.267 156 T C 1.611 176.381 174.700 0.117 0.000 1.039 156 T CA 1.495 63.668 62.100 0.121 0.000 1.153 156 T CB -0.554 68.392 68.868 0.130 0.000 0.863 156 T HN 0.485 nan 8.240 nan 0.000 0.428 157 Y N 1.356 121.680 120.300 0.040 0.000 2.163 157 Y HA -0.136 4.414 4.550 0.000 0.000 0.288 157 Y C 2.352 178.262 175.900 0.017 0.000 1.136 157 Y CA 0.997 59.109 58.100 0.021 0.000 1.147 157 Y CB -0.412 38.060 38.460 0.020 0.000 0.987 157 Y HN -0.037 nan 8.280 nan 0.000 0.509 158 V N -0.201 119.845 119.914 0.219 0.000 2.323 158 V HA -0.242 3.878 4.120 0.000 0.000 0.244 158 V C 2.480 178.666 176.094 0.153 0.000 1.041 158 V CA 2.033 64.438 62.300 0.175 0.000 1.025 158 V CB -0.937 31.013 31.823 0.212 0.000 0.656 158 V HN 0.613 nan 8.190 nan 0.000 0.451 159 S N -1.392 114.385 115.700 0.129 0.000 2.489 159 S HA -0.114 4.356 4.470 0.000 0.000 0.228 159 S C 1.001 175.672 174.600 0.119 0.000 0.995 159 S CA 0.176 58.459 58.200 0.137 0.000 0.934 159 S CB -0.211 63.037 63.200 0.080 0.000 0.771 159 S HN 0.574 nan 8.310 nan 0.000 0.522 160 Q N 0.788 120.598 119.800 0.016 0.000 2.452 160 Q HA -0.133 4.208 4.340 0.000 0.000 0.318 160 Q C -0.686 175.297 176.000 -0.029 0.000 1.386 160 Q CA 0.941 56.715 55.803 -0.047 0.000 0.872 160 Q CB -1.376 27.282 28.738 -0.134 0.000 1.151 160 Q HN 0.717 nan 8.270 nan 0.000 0.417 161 R N -0.895 119.580 120.500 -0.041 0.000 2.707 161 R HA 0.519 4.859 4.340 0.000 0.000 0.272 161 R C -2.667 173.660 176.300 0.046 0.000 1.011 161 R CA -2.054 54.000 56.100 -0.077 0.000 0.893 161 R CB 1.621 31.781 30.300 -0.232 0.000 1.233 161 R HN -0.138 nan 8.270 nan 0.000 0.464 162 P HA 0.110 nan 4.420 nan 0.000 0.269 162 P C -0.763 176.641 177.300 0.174 0.000 1.215 162 P CA -0.209 62.978 63.100 0.145 0.000 0.780 162 P CB 0.620 32.416 31.700 0.161 0.000 0.898 163 V N 2.526 122.546 119.914 0.177 0.000 2.841 163 V HA 0.326 4.446 4.120 0.000 0.000 0.310 163 V C -1.110 175.117 176.094 0.221 0.000 1.090 163 V CA -0.656 61.755 62.300 0.185 0.000 0.930 163 V CB 2.015 33.920 31.823 0.137 0.000 1.014 163 V HN 0.398 nan 8.190 nan 0.000 0.425 164 Y N 4.925 125.278 120.300 0.089 0.000 2.331 164 Y HA 0.756 5.306 4.550 -0.000 0.000 0.338 164 Y C -0.807 175.092 175.900 -0.003 0.000 0.992 164 Y CA -0.745 57.383 58.100 0.048 0.000 1.121 164 Y CB 1.636 40.142 38.460 0.076 0.000 1.184 164 Y HN 0.562 nan 8.280 nan 0.000 0.469 165 L N 6.889 127.862 121.223 -0.418 0.000 2.415 165 L HA 0.687 5.027 4.340 0.000 0.000 0.268 165 L C -0.566 176.037 176.870 -0.445 0.000 0.984 165 L CA -0.279 54.396 54.840 -0.274 0.000 0.853 165 L CB 1.202 43.178 42.059 -0.139 0.000 1.215 165 L HN 0.743 nan 8.230 nan 0.000 0.419 166 G N 5.550 114.139 108.800 -0.352 0.000 2.339 166 G HA2 0.559 4.519 3.960 0.000 0.000 0.287 166 G HA3 0.559 4.519 3.960 0.000 0.000 0.287 166 G C -0.970 173.828 174.900 -0.170 0.000 1.163 166 G CA -0.448 44.487 45.100 -0.274 0.000 0.872 166 G HN 0.576 nan 8.290 nan 0.000 0.464 167 L N 4.355 125.491 121.223 -0.145 0.000 2.388 167 L HA 0.282 4.622 4.340 0.000 0.000 0.267 167 L C -2.352 174.456 176.870 -0.103 0.000 0.995 167 L CA -1.889 52.883 54.840 -0.114 0.000 0.864 167 L CB 2.624 44.619 42.059 -0.107 0.000 1.216 167 L HN 0.321 nan 8.230 nan 0.000 0.430 168 P HA 0.049 nan 4.420 nan 0.000 0.268 168 P C 0.488 177.726 177.300 -0.103 0.000 1.205 168 P CA -0.016 62.993 63.100 -0.151 0.000 0.771 168 P CB 1.193 32.791 31.700 -0.171 0.000 0.858 169 A N 4.037 126.805 122.820 -0.087 0.000 1.940 169 A HA -0.224 4.096 4.320 0.000 0.000 0.219 169 A C 1.901 179.463 177.584 -0.037 0.000 1.176 169 A CA 1.878 53.901 52.037 -0.022 0.000 0.631 169 A CB -1.276 17.759 19.000 0.060 0.000 0.814 169 A HN 0.720 nan 8.150 nan 0.000 0.446 170 N N 0.410 119.074 118.700 -0.060 0.000 2.188 170 N HA -0.132 4.608 4.740 0.000 0.000 0.184 170 N C 1.560 177.037 175.510 -0.054 0.000 1.018 170 N CA 1.471 54.489 53.050 -0.054 0.000 0.858 170 N CB -0.612 37.836 38.487 -0.064 0.000 0.989 170 N HN 0.376 nan 8.380 nan 0.000 0.426 171 L N 1.519 122.702 121.223 -0.066 0.000 2.083 171 L HA -0.070 4.270 4.340 0.000 0.000 0.209 171 L C 2.702 179.537 176.870 -0.058 0.000 1.083 171 L CA 1.288 56.088 54.840 -0.067 0.000 0.752 171 L CB -0.997 41.014 42.059 -0.079 0.000 0.899 171 L HN 0.232 nan 8.230 nan 0.000 0.433 172 V N -2.479 117.405 119.914 -0.050 0.000 2.594 172 V HA -0.194 3.926 4.120 0.000 0.000 0.253 172 V C 1.679 177.760 176.094 -0.021 0.000 1.069 172 V CA 1.868 64.146 62.300 -0.037 0.000 1.082 172 V CB -0.535 31.272 31.823 -0.027 0.000 0.680 172 V HN 0.311 nan 8.190 nan 0.000 0.469 173 D N 0.272 120.658 120.400 -0.023 0.000 2.354 173 D HA 0.257 4.897 4.640 0.000 0.000 0.209 173 D C 0.896 177.184 176.300 -0.019 0.000 1.015 173 D CA 0.196 54.187 54.000 -0.015 0.000 0.867 173 D CB 0.090 40.881 40.800 -0.015 0.000 0.933 173 D HN 0.450 nan 8.370 nan 0.000 0.520 174 L N 1.444 122.649 121.223 -0.031 0.000 2.439 174 L HA 0.154 4.494 4.340 0.000 0.000 0.269 174 L C 1.053 177.902 176.870 -0.035 0.000 1.179 174 L CA -0.153 54.666 54.840 -0.035 0.000 0.828 174 L CB 0.719 42.750 42.059 -0.047 0.000 1.106 174 L HN -0.054 nan 8.230 nan 0.000 0.467 175 T N -0.005 114.531 114.554 -0.030 0.000 2.928 175 T HA 0.642 4.992 4.350 0.000 0.000 0.284 175 T C -0.213 174.461 174.700 -0.043 0.000 1.008 175 T CA -0.750 61.336 62.100 -0.024 0.000 1.057 175 T CB 1.828 70.690 68.868 -0.011 0.000 1.018 175 T HN 0.471 nan 8.240 nan 0.000 0.493 176 V N -1.838 118.050 119.914 -0.042 0.000 3.102 176 V HA 0.804 4.924 4.120 0.000 0.000 0.312 176 V C -3.229 172.853 176.094 -0.019 0.000 1.135 176 V CA -3.381 58.879 62.300 -0.068 0.000 1.022 176 V CB 1.516 33.237 31.823 -0.170 0.000 1.056 176 V HN 0.707 nan 8.190 nan 0.000 0.436 177 P HA 0.331 nan 4.420 nan 0.000 0.271 177 P C 0.653 177.986 177.300 0.055 0.000 1.226 177 P CA 0.363 63.472 63.100 0.015 0.000 0.765 177 P CB 1.234 32.939 31.700 0.008 0.000 0.835 178 A N 3.501 126.355 122.820 0.057 0.000 2.024 178 A HA -0.192 4.128 4.320 0.000 0.000 0.220 178 A C 2.069 179.697 177.584 0.073 0.000 1.164 178 A CA 2.178 54.261 52.037 0.076 0.000 0.643 178 A CB -1.481 17.549 19.000 0.049 0.000 0.806 178 A HN 0.585 nan 8.150 nan 0.000 0.451 179 S N -0.167 115.565 115.700 0.053 0.000 2.474 179 S HA -0.032 4.438 4.470 0.000 0.000 0.235 179 S C 1.715 176.351 174.600 0.060 0.000 0.997 179 S CA 1.025 59.251 58.200 0.043 0.000 0.949 179 S CB -0.741 62.476 63.200 0.028 0.000 0.766 179 S HN 0.470 nan 8.310 nan 0.000 0.517 180 L N 0.734 122.014 121.223 0.095 0.000 2.089 180 L HA -0.116 4.224 4.340 0.000 0.000 0.213 180 L C 2.423 179.375 176.870 0.136 0.000 1.079 180 L CA 1.371 56.295 54.840 0.141 0.000 0.758 180 L CB -0.700 41.498 42.059 0.231 0.000 0.891 180 L HN 0.359 nan 8.230 nan 0.000 0.433 181 L N -0.550 120.736 121.223 0.105 0.000 2.456 181 L HA -0.173 4.167 4.340 0.000 0.000 0.224 181 L C 1.490 178.352 176.870 -0.013 0.000 1.148 181 L CA 0.522 55.356 54.840 -0.010 0.000 0.825 181 L CB -0.481 41.545 42.059 -0.054 0.000 0.937 181 L HN 0.296 nan 8.230 nan 0.000 0.450 182 D N -0.932 119.475 120.400 0.013 0.000 2.355 182 D HA -0.013 4.627 4.640 0.000 0.000 0.218 182 D C 0.564 176.867 176.300 0.006 0.000 1.004 182 D CA 0.583 54.586 54.000 0.005 0.000 0.880 182 D CB 0.220 41.026 40.800 0.011 0.000 0.911 182 D HN 0.128 nan 8.370 nan 0.000 0.528 183 T N 2.789 117.351 114.554 0.014 0.000 2.770 183 T HA 0.365 4.716 4.350 0.000 0.000 0.297 183 T C -2.413 172.288 174.700 0.001 0.000 0.997 183 T CA -1.468 60.639 62.100 0.012 0.000 0.949 183 T CB 2.108 70.991 68.868 0.025 0.000 0.941 183 T HN -0.129 nan 8.240 nan 0.000 0.457 184 P HA 0.275 nan 4.420 nan 0.000 0.272 184 P C -0.197 177.089 177.300 -0.023 0.000 1.230 184 P CA -0.581 62.502 63.100 -0.029 0.000 0.788 184 P CB 0.498 32.179 31.700 -0.031 0.000 0.949 185 I N 1.501 122.046 120.570 -0.042 0.000 2.533 185 I HA 0.008 4.178 4.170 0.000 0.000 0.284 185 I C 0.883 176.977 176.117 -0.038 0.000 1.109 185 I CA 0.025 61.306 61.300 -0.032 0.000 1.412 185 I CB 0.052 38.023 38.000 -0.048 0.000 1.396 185 I HN 0.276 nan 8.210 nan 0.000 0.543 186 D N 7.347 127.742 120.400 -0.008 0.000 2.348 186 D HA 0.080 4.720 4.640 0.000 0.000 0.259 186 D C 0.503 176.807 176.300 0.006 0.000 1.296 186 D CA 0.345 54.348 54.000 0.004 0.000 0.931 186 D CB 0.608 41.425 40.800 0.028 0.000 1.067 186 D HN 0.396 nan 8.370 nan 0.000 0.503 187 L N 2.381 123.589 121.223 -0.025 0.000 2.667 187 L HA 0.102 4.443 4.340 0.000 0.000 0.232 187 L C 0.973 177.901 176.870 0.095 0.000 1.138 187 L CA -0.252 54.583 54.840 -0.009 0.000 0.921 187 L CB -0.163 41.737 42.059 -0.264 0.000 1.180 187 L HN 0.261 nan 8.230 nan 0.000 0.487 188 S N 0.431 116.183 115.700 0.088 0.000 2.584 188 S HA 0.521 4.991 4.470 0.000 0.000 0.273 188 S C -0.178 174.514 174.600 0.154 0.000 1.311 188 S CA -0.677 57.599 58.200 0.127 0.000 1.034 188 S CB 1.274 64.544 63.200 0.117 0.000 0.939 188 S HN 0.101 nan 8.310 nan 0.000 0.513 189 L N 1.893 123.229 121.223 0.189 0.000 2.375 189 L HA 0.402 4.743 4.340 0.000 0.000 0.271 189 L C 0.485 177.547 176.870 0.319 0.000 1.107 189 L CA -0.790 54.178 54.840 0.215 0.000 0.806 189 L CB 0.680 42.809 42.059 0.116 0.000 1.146 189 L HN 0.695 nan 8.230 nan 0.000 0.447 190 K N 2.408 122.966 120.400 0.263 0.000 2.154 190 K HA 0.308 4.628 4.320 0.000 0.000 0.264 190 K C -2.328 174.446 176.600 0.290 0.000 1.008 190 K CA -1.667 54.750 56.287 0.217 0.000 0.937 190 K CB 0.006 32.588 32.500 0.137 0.000 1.002 190 K HN 0.259 nan 8.250 nan 0.000 0.469 191 P HA -0.145 nan 4.420 nan 0.000 0.265 191 P C -0.753 176.602 177.300 0.092 0.000 1.167 191 P CA 0.372 63.425 63.100 -0.079 0.000 0.760 191 P CB 0.322 31.948 31.700 -0.123 0.000 0.783 192 N N 1.914 120.692 118.700 0.131 0.000 2.416 192 N HA -0.018 4.722 4.740 0.000 0.000 0.246 192 N C 0.082 175.641 175.510 0.083 0.000 1.260 192 N CA 0.148 53.287 53.050 0.149 0.000 0.897 192 N CB -0.085 38.505 38.487 0.171 0.000 1.110 192 N HN 0.439 nan 8.380 nan 0.000 0.439 193 D N 1.359 121.814 120.400 0.091 0.000 2.472 193 D HA 0.033 4.673 4.640 0.000 0.000 0.248 193 D C -1.693 174.643 176.300 0.060 0.000 1.174 193 D CA -1.312 52.731 54.000 0.071 0.000 0.883 193 D CB 0.776 41.627 40.800 0.085 0.000 1.149 193 D HN 0.252 nan 8.370 nan 0.000 0.488 194 P HA -0.090 nan 4.420 nan 0.000 0.217 194 P C 1.066 178.385 177.300 0.032 0.000 1.151 194 P CA 0.779 63.894 63.100 0.026 0.000 0.828 194 P CB 0.329 32.036 31.700 0.012 0.000 0.788 195 E N 0.013 120.238 120.200 0.042 0.000 2.031 195 E HA -0.159 4.191 4.350 0.000 0.000 0.193 195 E C 2.102 178.742 176.600 0.067 0.000 0.994 195 E CA 1.634 58.064 56.400 0.050 0.000 0.800 195 E CB -0.934 28.799 29.700 0.055 0.000 0.752 195 E HN 0.162 nan 8.360 nan 0.000 0.447 196 A N 1.470 124.345 122.820 0.092 0.000 1.902 196 A HA -0.221 4.099 4.320 0.000 0.000 0.217 196 A C 2.111 179.724 177.584 0.049 0.000 1.181 196 A CA 1.681 53.800 52.037 0.137 0.000 0.623 196 A CB -0.493 18.617 19.000 0.185 0.000 0.818 196 A HN 0.270 nan 8.150 nan 0.000 0.443 197 E N -0.648 119.578 120.200 0.042 0.000 2.110 197 E HA -0.246 4.105 4.350 0.000 0.000 0.193 197 E C 1.992 178.579 176.600 -0.022 0.000 0.988 197 E CA 1.373 57.781 56.400 0.013 0.000 0.804 197 E CB -0.055 29.675 29.700 0.049 0.000 0.745 197 E HN 0.589 nan 8.360 nan 0.000 0.458 198 E N 1.160 121.356 120.200 -0.006 0.000 2.072 198 E HA -0.218 4.132 4.350 0.000 0.000 0.191 198 E C 1.810 178.388 176.600 -0.037 0.000 0.985 198 E CA 1.603 57.996 56.400 -0.011 0.000 0.801 198 E CB -0.144 29.559 29.700 0.006 0.000 0.750 198 E HN 0.322 nan 8.360 nan 0.000 0.452 199 E N -0.532 119.644 120.200 -0.039 0.000 2.077 199 E HA -0.162 4.188 4.350 0.000 0.000 0.193 199 E C 2.009 178.461 176.600 -0.247 0.000 0.989 199 E CA 1.464 57.826 56.400 -0.063 0.000 0.800 199 E CB 0.036 29.771 29.700 0.058 0.000 0.746 199 E HN 0.187 nan 8.360 nan 0.000 0.452 200 V N 1.577 121.221 119.914 -0.450 0.000 2.255 200 V HA -0.295 3.825 4.120 0.000 0.000 0.247 200 V C 2.428 178.385 176.094 -0.229 0.000 1.051 200 V CA 1.474 63.431 62.300 -0.571 0.000 1.018 200 V CB -0.425 31.124 31.823 -0.456 0.000 0.641 200 V HN 0.393 nan 8.190 nan 0.000 0.445 201 I N -0.048 120.457 120.570 -0.108 0.000 2.179 201 I HA -0.205 3.965 4.170 0.000 0.000 0.242 201 I C 2.538 178.642 176.117 -0.022 0.000 1.088 201 I CA 1.650 62.937 61.300 -0.022 0.000 1.357 201 I CB -1.237 36.764 38.000 0.002 0.000 1.051 201 I HN 0.468 nan 8.210 nan 0.000 0.409 202 E N 0.633 120.812 120.200 -0.034 0.000 2.110 202 E HA -0.230 4.120 4.350 0.000 0.000 0.193 202 E C 1.889 178.481 176.600 -0.013 0.000 0.988 202 E CA 1.292 57.684 56.400 -0.014 0.000 0.804 202 E CB -0.085 29.610 29.700 -0.008 0.000 0.745 202 E HN 0.487 nan 8.360 nan 0.000 0.458 203 N N -0.028 118.648 118.700 -0.040 0.000 2.106 203 N HA -0.119 4.621 4.740 0.000 0.000 0.188 203 N C 1.819 177.319 175.510 -0.017 0.000 1.029 203 N CA 0.857 53.892 53.050 -0.026 0.000 0.848 203 N CB -0.253 38.205 38.487 -0.049 0.000 1.007 203 N HN -0.057 nan 8.380 nan 0.000 0.423 204 V N 1.200 121.097 119.914 -0.029 0.000 2.287 204 V HA -0.204 3.916 4.120 0.000 0.000 0.248 204 V C 2.207 178.326 176.094 0.041 0.000 1.053 204 V CA 1.392 63.700 62.300 0.013 0.000 1.027 204 V CB -0.681 31.181 31.823 0.064 0.000 0.646 204 V HN 0.277 nan 8.190 nan 0.000 0.447 205 L N -0.465 120.780 121.223 0.037 0.000 2.083 205 L HA -0.234 4.107 4.340 0.000 0.000 0.209 205 L C 2.659 179.552 176.870 0.038 0.000 1.083 205 L CA 1.628 56.493 54.840 0.042 0.000 0.752 205 L CB -0.570 41.508 42.059 0.030 0.000 0.899 205 L HN 0.352 nan 8.230 nan 0.000 0.433 206 Q N 0.150 119.965 119.800 0.026 0.000 2.084 206 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 206 Q C 2.071 178.084 176.000 0.022 0.000 0.978 206 Q CA 1.728 57.545 55.803 0.023 0.000 0.844 206 Q CB -0.259 28.489 28.738 0.018 0.000 0.898 206 Q HN 0.243 nan 8.270 nan 0.000 0.426 207 L N -0.080 121.153 121.223 0.017 0.000 2.083 207 L HA -0.121 4.220 4.340 0.000 0.000 0.209 207 L C 2.199 179.073 176.870 0.006 0.000 1.083 207 L CA 1.480 56.323 54.840 0.005 0.000 0.752 207 L CB -0.754 41.303 42.059 -0.005 0.000 0.899 207 L HN 0.306 nan 8.230 nan 0.000 0.433 208 I N -0.877 119.715 120.570 0.038 0.000 2.226 208 I HA -0.335 3.835 4.170 0.000 0.000 0.245 208 I C 2.338 178.498 176.117 0.071 0.000 1.100 208 I CA 1.211 62.555 61.300 0.074 0.000 1.374 208 I CB -0.253 37.843 38.000 0.159 0.000 1.057 208 I HN 0.218 nan 8.210 nan 0.000 0.413 209 K N 0.606 121.043 120.400 0.062 0.000 2.103 209 K HA -0.204 4.116 4.320 0.000 0.000 0.207 209 K C 1.847 178.472 176.600 0.042 0.000 1.048 209 K CA 1.482 57.804 56.287 0.058 0.000 0.930 209 K CB -0.130 32.397 32.500 0.045 0.000 0.716 209 K HN 0.357 nan 8.250 nan 0.000 0.444 210 E N 0.222 120.434 120.200 0.022 0.000 2.435 210 E HA 0.039 4.389 4.350 0.000 0.000 0.195 210 E C -0.103 176.494 176.600 -0.006 0.000 1.029 210 E CA -0.176 56.229 56.400 0.009 0.000 0.865 210 E CB 0.361 30.062 29.700 0.002 0.000 0.833 210 E HN 0.235 nan 8.360 nan 0.000 0.510 211 A N 1.224 124.031 122.820 -0.022 0.000 2.366 211 A HA 0.143 4.463 4.320 0.000 0.000 0.272 211 A C 0.780 178.343 177.584 -0.034 0.000 1.135 211 A CA -0.339 51.658 52.037 -0.066 0.000 0.804 211 A CB 0.501 19.407 19.000 -0.156 0.000 1.064 211 A HN -0.083 nan 8.150 nan 0.000 0.499 212 K N 0.960 121.342 120.400 -0.030 0.000 2.334 212 K HA 0.054 4.374 4.320 0.000 0.000 0.195 212 K C 0.059 176.678 176.600 0.031 0.000 1.045 212 K CA 0.612 56.907 56.287 0.014 0.000 1.004 212 K CB 0.185 32.685 32.500 0.001 0.000 0.837 212 K HN 0.695 nan 8.250 nan 0.000 0.510 213 N N 1.213 119.887 118.700 -0.044 0.000 2.726 213 N HA 0.161 4.901 4.740 0.000 0.000 0.253 213 N C -2.996 172.399 175.510 -0.192 0.000 1.530 213 N CA -1.752 51.272 53.050 -0.043 0.000 0.772 213 N CB 1.081 39.553 38.487 -0.025 0.000 1.220 213 N HN -0.154 nan 8.380 nan 0.000 0.508 214 P HA 0.267 nan 4.420 nan 0.000 0.277 214 P C -0.574 176.431 177.300 -0.491 0.000 1.240 214 P CA -0.406 62.331 63.100 -0.606 0.000 0.798 214 P CB 1.453 32.440 31.700 -1.189 0.000 0.979 215 V N -0.340 119.403 119.914 -0.285 0.000 3.007 215 V HA 0.619 4.739 4.120 0.000 0.000 0.311 215 V C -0.542 175.545 176.094 -0.012 0.000 1.120 215 V CA -1.138 61.117 62.300 -0.075 0.000 0.980 215 V CB 1.960 33.792 31.823 0.016 0.000 1.033 215 V HN 0.296 nan 8.190 nan 0.000 0.429 216 I N 3.605 124.233 120.570 0.098 0.000 2.392 216 I HA 0.481 4.651 4.170 0.000 0.000 0.295 216 I C -0.754 175.439 176.117 0.126 0.000 0.985 216 I CA -0.662 60.693 61.300 0.093 0.000 1.221 216 I CB 1.745 39.792 38.000 0.078 0.000 1.366 216 I HN 0.425 nan 8.210 nan 0.000 0.467 217 L N 6.097 127.376 121.223 0.093 0.000 2.372 217 L HA 0.663 5.003 4.340 0.000 0.000 0.274 217 L C -0.644 176.305 176.870 0.132 0.000 0.988 217 L CA -0.354 54.573 54.840 0.145 0.000 0.833 217 L CB 1.544 43.673 42.059 0.118 0.000 1.236 217 L HN 0.725 nan 8.230 nan 0.000 0.410 218 A N 3.954 126.859 122.820 0.141 0.000 2.276 218 A HA 0.630 4.950 4.320 0.000 0.000 0.316 218 A C -0.700 176.940 177.584 0.094 0.000 1.229 218 A CA -0.500 51.592 52.037 0.091 0.000 0.851 218 A CB 1.069 20.107 19.000 0.064 0.000 1.165 218 A HN 0.743 nan 8.150 nan 0.000 0.513 219 D N 1.315 121.748 120.400 0.055 0.000 2.689 219 D HA 0.639 5.279 4.640 0.000 0.000 0.255 219 D C 1.449 177.743 176.300 -0.009 0.000 1.113 219 D CA 0.223 54.244 54.000 0.034 0.000 1.115 219 D CB 1.798 42.621 40.800 0.039 0.000 1.334 219 D HN 0.405 nan 8.370 nan 0.000 0.621 220 A N -0.223 122.576 122.820 -0.036 0.000 1.927 220 A HA -0.202 4.118 4.320 0.000 0.000 0.220 220 A C 2.189 179.758 177.584 -0.025 0.000 1.185 220 A CA 2.000 54.010 52.037 -0.044 0.000 0.639 220 A CB -0.998 17.963 19.000 -0.065 0.000 0.820 220 A HN 0.620 nan 8.150 nan 0.000 0.451 221 C N -1.786 117.492 119.300 -0.036 0.000 2.576 221 C HA 0.061 4.521 4.460 0.000 0.000 0.267 221 C C 2.662 177.678 174.990 0.044 0.000 1.364 221 C CA -0.404 58.630 59.018 0.025 0.000 1.723 221 C CB -2.310 25.441 27.740 0.017 0.000 1.778 221 C HN 0.802 nan 8.230 nan 0.000 0.572 222 C N 1.010 120.314 119.300 0.006 0.000 2.386 222 C HA -0.151 4.309 4.460 0.000 0.000 0.279 222 C C 3.071 178.072 174.990 0.018 0.000 1.208 222 C CA 2.304 61.324 59.018 0.003 0.000 1.747 222 C CB -1.157 26.581 27.740 -0.004 0.000 2.046 222 C HN 0.623 nan 8.230 nan 0.000 0.453 223 S N -0.419 115.297 115.700 0.027 0.000 2.355 223 S HA -0.122 4.348 4.470 0.000 0.000 0.222 223 S C 1.943 176.572 174.600 0.047 0.000 1.031 223 S CA 1.550 59.787 58.200 0.061 0.000 0.993 223 S CB -0.477 62.795 63.200 0.120 0.000 0.859 223 S HN 0.622 nan 8.310 nan 0.000 0.453 224 R N 0.809 121.330 120.500 0.035 0.000 2.096 224 R HA -0.091 4.249 4.340 0.000 0.000 0.240 224 R C 0.960 177.129 176.300 -0.217 0.000 1.139 224 R CA 1.655 57.720 56.100 -0.057 0.000 0.952 224 R CB -0.396 29.891 30.300 -0.022 0.000 0.854 224 R HN 0.468 nan 8.270 nan 0.000 0.436 225 H N -0.878 118.159 119.070 -0.055 0.000 2.524 225 H HA 0.140 4.696 4.556 0.000 0.000 0.299 225 H C -0.508 174.774 175.328 -0.076 0.000 1.074 225 H CA 0.439 56.440 56.048 -0.078 0.000 1.115 225 H CB 0.197 29.915 29.762 -0.074 0.000 1.522 225 H HN 0.233 nan 8.280 nan 0.000 0.543 226 D N 0.044 120.441 120.400 -0.005 0.000 2.772 226 D HA -0.217 4.423 4.640 0.000 0.000 0.233 226 D C 0.394 176.686 176.300 -0.013 0.000 1.143 226 D CA 0.781 54.774 54.000 -0.011 0.000 0.700 226 D CB -1.090 39.697 40.800 -0.020 0.000 1.076 226 D HN 0.498 nan 8.370 nan 0.000 0.430 227 A N 0.072 122.885 122.820 -0.011 0.000 2.545 227 A HA 0.200 4.520 4.320 0.000 0.000 0.277 227 A C 1.803 179.365 177.584 -0.037 0.000 1.301 227 A CA 0.464 52.478 52.037 -0.038 0.000 0.935 227 A CB 0.079 19.043 19.000 -0.060 0.000 1.093 227 A HN 0.284 nan 8.150 nan 0.000 0.519 228 K N 0.362 120.753 120.400 -0.017 0.000 2.026 228 K HA -0.102 4.218 4.320 0.000 0.000 0.208 228 K C 2.109 178.695 176.600 -0.023 0.000 1.048 228 K CA 1.335 57.613 56.287 -0.014 0.000 0.929 228 K CB -0.234 32.269 32.500 0.005 0.000 0.713 228 K HN 0.400 nan 8.250 nan 0.000 0.439 229 A N 1.232 124.041 122.820 -0.019 0.000 1.883 229 A HA -0.217 4.104 4.320 0.000 0.000 0.217 229 A C 1.900 179.462 177.584 -0.036 0.000 1.186 229 A CA 2.039 54.065 52.037 -0.019 0.000 0.624 229 A CB -0.606 18.387 19.000 -0.012 0.000 0.822 229 A HN 0.412 nan 8.150 nan 0.000 0.444 230 E N -0.582 119.586 120.200 -0.052 0.000 2.077 230 E HA -0.089 4.261 4.350 0.000 0.000 0.193 230 E C 2.147 178.686 176.600 -0.102 0.000 0.989 230 E CA 1.743 58.095 56.400 -0.080 0.000 0.800 230 E CB -0.568 29.069 29.700 -0.105 0.000 0.746 230 E HN 0.606 nan 8.360 nan 0.000 0.452 231 T N 0.556 115.053 114.554 -0.094 0.000 2.737 231 T HA -0.159 4.191 4.350 0.000 0.000 0.265 231 T C 1.776 176.424 174.700 -0.087 0.000 1.038 231 T CA 1.413 63.454 62.100 -0.097 0.000 1.144 231 T CB -0.152 68.673 68.868 -0.071 0.000 0.866 231 T HN 0.117 nan 8.240 nan 0.000 0.434 232 K N 0.956 121.320 120.400 -0.059 0.000 2.032 232 K HA -0.198 4.122 4.320 0.000 0.000 0.209 232 K C 2.339 178.915 176.600 -0.039 0.000 1.048 232 K CA 1.527 57.791 56.287 -0.038 0.000 0.927 232 K CB -0.094 32.411 32.500 0.008 0.000 0.712 232 K HN 0.008 nan 8.250 nan 0.000 0.441 233 K N 1.031 121.404 120.400 -0.046 0.000 2.097 233 K HA -0.140 4.180 4.320 0.000 0.000 0.206 233 K C 1.980 178.525 176.600 -0.092 0.000 1.049 233 K CA 1.003 57.259 56.287 -0.052 0.000 0.933 233 K CB -0.467 32.002 32.500 -0.051 0.000 0.717 233 K HN 0.171 nan 8.250 nan 0.000 0.442 234 L N 0.824 121.974 121.223 -0.122 0.000 1.989 234 L HA -0.126 4.214 4.340 0.000 0.000 0.211 234 L C 1.910 178.657 176.870 -0.205 0.000 1.071 234 L CA 1.762 56.504 54.840 -0.163 0.000 0.749 234 L CB -0.480 41.483 42.059 -0.160 0.000 0.890 234 L HN 0.271 nan 8.230 nan 0.000 0.431 235 I N -0.515 119.943 120.570 -0.186 0.000 2.163 235 I HA -0.307 3.863 4.170 0.000 0.000 0.243 235 I C 2.121 178.144 176.117 -0.157 0.000 1.085 235 I CA 1.470 62.630 61.300 -0.233 0.000 1.347 235 I CB -0.742 37.029 38.000 -0.382 0.000 1.044 235 I HN 0.279 nan 8.210 nan 0.000 0.408 236 D N 0.949 121.319 120.400 -0.049 0.000 2.104 236 D HA -0.124 4.516 4.640 0.000 0.000 0.194 236 D C 2.325 178.591 176.300 -0.056 0.000 0.994 236 D CA 1.395 55.413 54.000 0.030 0.000 0.830 236 D CB -0.208 40.620 40.800 0.047 0.000 0.959 236 D HN 0.326 nan 8.370 nan 0.000 0.452 237 L N 0.370 121.522 121.223 -0.118 0.000 2.313 237 L HA -0.035 4.305 4.340 0.000 0.000 0.214 237 L C 2.420 179.142 176.870 -0.247 0.000 1.119 237 L CA 1.234 55.989 54.840 -0.143 0.000 0.809 237 L CB -0.355 41.626 42.059 -0.130 0.000 0.933 237 L HN 0.135 nan 8.230 nan 0.000 0.449 238 T N -5.424 108.876 114.554 -0.423 0.000 3.039 238 T HA -0.019 4.331 4.350 0.000 0.000 0.250 238 T C 1.067 175.403 174.700 -0.607 0.000 1.052 238 T CA -0.092 61.508 62.100 -0.834 0.000 1.125 238 T CB 0.218 67.995 68.868 -1.818 0.000 0.908 238 T HN 0.185 nan 8.240 nan 0.000 0.473 239 Q N 0.350 119.966 119.800 -0.307 0.000 2.481 239 Q HA -0.130 4.210 4.340 0.000 0.000 0.258 239 Q C -0.864 175.184 176.000 0.079 0.000 0.961 239 Q CA 0.465 56.252 55.803 -0.028 0.000 1.121 239 Q CB -2.544 26.280 28.738 0.143 0.000 1.503 239 Q HN 0.582 nan 8.270 nan 0.000 0.544 240 F N 0.973 120.785 119.950 -0.230 0.000 2.459 240 F HA 0.270 4.797 4.527 0.000 0.000 0.346 240 F C -1.305 174.410 175.800 -0.142 0.000 1.128 240 F CA -2.572 55.245 58.000 -0.305 0.000 1.268 240 F CB -0.647 38.157 39.000 -0.326 0.000 1.161 240 F HN -0.173 nan 8.300 nan 0.000 0.583 241 P HA 0.246 nan 4.420 nan 0.000 0.265 241 P C -1.120 176.097 177.300 -0.138 0.000 1.193 241 P CA 0.054 63.122 63.100 -0.053 0.000 0.765 241 P CB 0.565 32.294 31.700 0.048 0.000 0.823 242 A N 3.502 126.093 122.820 -0.381 0.000 2.343 242 A HA 0.771 5.091 4.320 0.000 0.000 0.316 242 A C -1.167 176.066 177.584 -0.585 0.000 1.104 242 A CA -0.385 51.489 52.037 -0.271 0.000 0.768 242 A CB 0.501 19.421 19.000 -0.134 0.000 1.213 242 A HN 0.367 nan 8.150 nan 0.000 0.456 243 F N 0.842 120.770 119.950 -0.037 0.000 2.593 243 F HA 0.645 5.172 4.527 0.000 0.000 0.320 243 F C 0.336 176.212 175.800 0.126 0.000 1.060 243 F CA -0.751 57.211 58.000 -0.063 0.000 0.940 243 F CB 2.394 41.353 39.000 -0.068 0.000 1.268 243 F HN 0.542 nan 8.300 nan 0.000 0.475 244 V N -1.647 118.493 119.914 0.376 0.000 2.769 244 V HA 0.779 4.899 4.120 0.000 0.000 0.312 244 V C -0.036 176.212 176.094 0.257 0.000 1.058 244 V CA -0.846 61.625 62.300 0.285 0.000 0.952 244 V CB 1.120 33.081 31.823 0.229 0.000 1.019 244 V HN 0.888 nan 8.190 nan 0.000 0.445 245 T N 0.267 114.944 114.554 0.205 0.000 2.766 245 T HA 0.375 4.725 4.350 0.000 0.000 0.295 245 T C -1.693 173.022 174.700 0.025 0.000 1.024 245 T CA -0.986 61.194 62.100 0.133 0.000 1.018 245 T CB 0.736 69.633 68.868 0.048 0.000 1.002 245 T HN 0.587 nan 8.240 nan 0.000 0.532 246 P HA -0.011 nan 4.420 nan 0.000 0.218 246 P C 1.442 178.698 177.300 -0.073 0.000 1.149 246 P CA 1.126 64.163 63.100 -0.103 0.000 0.817 246 P CB -0.159 31.431 31.700 -0.182 0.000 0.785 247 M N -1.419 118.148 119.600 -0.055 0.000 2.319 247 M HA 0.055 4.535 4.480 0.000 0.000 0.265 247 M C 1.916 178.185 176.300 -0.052 0.000 1.068 247 M CA 1.622 56.890 55.300 -0.054 0.000 1.118 247 M CB -1.183 31.381 32.600 -0.061 0.000 1.395 247 M HN -0.097 nan 8.290 nan 0.000 0.435 248 G N -0.394 108.389 108.800 -0.028 0.000 3.141 248 G HA2 0.021 3.981 3.960 0.000 0.000 0.218 248 G HA3 0.021 3.981 3.960 0.000 0.000 0.218 248 G C 0.372 175.261 174.900 -0.018 0.000 1.170 248 G CA -0.360 44.728 45.100 -0.020 0.000 0.769 248 G HN 0.265 nan 8.290 nan 0.000 0.546 249 K N 0.558 120.944 120.400 -0.022 0.000 2.412 249 K HA 0.377 4.697 4.320 0.000 0.000 0.281 249 K C 1.339 177.978 176.600 0.064 0.000 1.027 249 K CA 0.847 57.121 56.287 -0.021 0.000 0.989 249 K CB 0.230 32.667 32.500 -0.105 0.000 0.935 249 K HN 0.212 nan 8.250 nan 0.000 0.475 250 G N 1.971 110.816 108.800 0.075 0.000 2.213 250 G HA2 -0.247 3.713 3.960 0.000 0.000 0.236 250 G HA3 -0.247 3.713 3.960 0.000 0.000 0.236 250 G C 0.917 175.806 174.900 -0.017 0.000 0.991 250 G CA 0.357 45.525 45.100 0.114 0.000 0.629 250 G HN 0.594 nan 8.290 nan 0.000 0.517 251 S N -0.276 115.399 115.700 -0.042 0.000 2.470 251 S HA 0.378 4.849 4.470 0.000 0.000 0.225 251 S C 0.886 175.460 174.600 -0.043 0.000 1.006 251 S CA 0.499 58.680 58.200 -0.032 0.000 0.934 251 S CB 0.045 63.235 63.200 -0.016 0.000 0.778 251 S HN 0.489 nan 8.310 nan 0.000 0.517 252 I N 2.145 122.658 120.570 -0.096 0.000 2.410 252 I HA 0.233 4.403 4.170 0.000 0.000 0.286 252 I C -1.135 174.822 176.117 -0.268 0.000 1.009 252 I CA -0.838 60.378 61.300 -0.141 0.000 1.111 252 I CB 1.585 39.535 38.000 -0.083 0.000 1.262 252 I HN -0.099 nan 8.210 nan 0.000 0.443 253 D N 6.351 126.661 120.400 -0.151 0.000 2.487 253 D HA -0.010 4.630 4.640 0.000 0.000 0.243 253 D C 0.973 177.112 176.300 -0.268 0.000 1.154 253 D CA 0.451 54.364 54.000 -0.145 0.000 0.876 253 D CB 1.061 41.835 40.800 -0.044 0.000 1.161 253 D HN 0.540 nan 8.370 nan 0.000 0.478 254 E N 1.431 121.410 120.200 -0.368 0.000 2.427 254 E HA -0.085 4.265 4.350 0.000 0.000 0.196 254 E C 1.087 177.637 176.600 -0.084 0.000 1.028 254 E CA 0.338 56.394 56.400 -0.573 0.000 0.864 254 E CB 0.331 29.721 29.700 -0.516 0.000 0.813 254 E HN 0.210 nan 8.360 nan 0.000 0.514 255 K N 0.645 121.039 120.400 -0.012 0.000 2.555 255 K HA -0.035 4.285 4.320 0.000 0.000 0.193 255 K C 0.580 177.219 176.600 0.066 0.000 1.032 255 K CA 0.258 56.574 56.287 0.049 0.000 1.004 255 K CB -0.259 32.252 32.500 0.018 0.000 0.804 255 K HN 0.206 nan 8.250 nan 0.000 0.496 256 H N 2.497 121.575 119.070 0.013 0.000 3.046 256 H HA 0.006 4.562 4.556 0.000 0.000 0.303 256 H C -1.676 173.698 175.328 0.077 0.000 1.002 256 H CA -1.466 54.604 56.048 0.038 0.000 1.460 256 H CB 1.309 31.091 29.762 0.033 0.000 1.493 256 H HN -0.142 nan 8.280 nan 0.000 0.559 257 P HA -0.137 nan 4.420 nan 0.000 0.218 257 P C 1.101 178.530 177.300 0.216 0.000 1.146 257 P CA 1.080 64.259 63.100 0.132 0.000 0.813 257 P CB 0.390 32.109 31.700 0.033 0.000 0.778 258 R N -1.844 118.906 120.500 0.417 0.000 2.297 258 R HA 0.145 4.485 4.340 0.000 0.000 0.197 258 R C 0.548 176.834 176.300 -0.024 0.000 0.943 258 R CA -0.390 55.794 56.100 0.140 0.000 1.038 258 R CB -1.221 29.114 30.300 0.058 0.000 0.957 258 R HN 0.269 nan 8.270 nan 0.000 0.484 259 F N 1.196 121.097 119.950 -0.082 0.000 2.541 259 F HA 0.250 4.777 4.527 0.000 0.000 0.378 259 F C 1.294 176.931 175.800 -0.271 0.000 1.068 259 F CA -0.219 57.659 58.000 -0.204 0.000 1.199 259 F CB 0.927 39.870 39.000 -0.095 0.000 1.091 259 F HN 0.036 nan 8.300 nan 0.000 0.555 260 G N 3.211 111.241 108.800 -1.283 0.000 3.126 260 G HA2 0.459 4.420 3.960 0.000 0.000 0.224 260 G HA3 0.459 4.420 3.960 0.000 0.000 0.224 260 G C 0.521 174.884 174.900 -0.895 0.000 1.142 260 G CA 0.281 44.709 45.100 -1.121 0.000 0.759 260 G HN 1.373 nan 8.290 nan 0.000 0.550 261 G N -1.233 106.657 108.800 -1.517 0.000 2.396 261 G HA2 0.211 4.172 3.960 0.000 0.000 0.254 261 G HA3 0.211 4.172 3.960 0.000 0.000 0.254 261 G C -0.741 174.041 174.900 -0.198 0.000 1.248 261 G CA -0.118 44.552 45.100 -0.717 0.000 1.033 261 G HN 1.236 nan 8.290 nan 0.000 0.502 262 V N -0.040 119.873 119.914 -0.002 0.000 2.398 262 V HA 0.722 4.843 4.120 0.000 0.000 0.286 262 V C -0.369 175.796 176.094 0.117 0.000 1.026 262 V CA -0.893 61.460 62.300 0.089 0.000 0.868 262 V CB 1.157 32.986 31.823 0.011 0.000 0.982 262 V HN 1.544 nan 8.190 nan 0.000 0.443 263 Y N 5.839 126.168 120.300 0.049 0.000 2.425 263 Y HA 0.529 5.079 4.550 0.000 0.000 0.347 263 Y C 0.403 176.328 175.900 0.042 0.000 0.976 263 Y CA -0.403 57.695 58.100 -0.003 0.000 1.190 263 Y CB 1.411 39.864 38.460 -0.012 0.000 1.136 263 Y HN 0.505 nan 8.280 nan 0.000 0.517 264 V N 6.808 126.399 119.914 -0.538 0.000 3.043 264 V HA 0.315 4.435 4.120 0.000 0.000 0.357 264 V C 1.277 176.913 176.094 -0.763 0.000 1.372 264 V CA 0.241 62.174 62.300 -0.611 0.000 1.214 264 V CB -0.649 30.891 31.823 -0.473 0.000 1.224 264 V HN 1.198 nan 8.190 nan 0.000 0.507 265 G N 1.733 109.769 108.800 -1.274 0.000 2.622 265 G HA2 -0.417 3.544 3.960 0.000 0.000 0.307 265 G HA3 -0.417 3.544 3.960 0.000 0.000 0.307 265 G C 1.026 175.649 174.900 -0.461 0.000 1.226 265 G CA 0.863 45.385 45.100 -0.962 0.000 0.997 265 G HN 0.316 nan 8.290 nan 0.000 0.551 266 T N 0.803 115.225 114.554 -0.219 0.000 2.869 266 T HA -0.009 4.342 4.350 0.000 0.000 0.270 266 T C 2.009 176.636 174.700 -0.121 0.000 1.082 266 T CA 1.779 63.812 62.100 -0.110 0.000 1.123 266 T CB -0.198 68.656 68.868 -0.023 0.000 0.856 266 T HN 0.356 nan 8.240 nan 0.000 0.499 267 L N 0.644 121.756 121.223 -0.184 0.000 2.857 267 L HA 0.253 4.593 4.340 0.000 0.000 0.249 267 L C 0.545 177.300 176.870 -0.191 0.000 1.172 267 L CA -0.285 54.446 54.840 -0.183 0.000 0.980 267 L CB 0.395 42.330 42.059 -0.208 0.000 1.299 267 L HN 0.061 nan 8.230 nan 0.000 0.535 268 S N 0.153 115.721 115.700 -0.219 0.000 2.589 268 S HA 0.119 4.590 4.470 0.000 0.000 0.265 268 S C 0.661 175.206 174.600 -0.091 0.000 1.342 268 S CA -0.493 57.610 58.200 -0.162 0.000 1.005 268 S CB 1.025 64.146 63.200 -0.132 0.000 0.909 268 S HN 0.408 nan 8.310 nan 0.000 0.555 269 S N 1.548 117.213 115.700 -0.058 0.000 2.566 269 S HA 0.090 4.561 4.470 0.000 0.000 0.280 269 S C -1.981 172.602 174.600 -0.028 0.000 1.343 269 S CA -0.818 57.360 58.200 -0.037 0.000 1.036 269 S CB -0.225 62.962 63.200 -0.021 0.000 0.866 269 S HN 0.379 nan 8.310 nan 0.000 0.526 270 P HA -0.160 nan 4.420 nan 0.000 0.216 270 P C 1.580 178.873 177.300 -0.012 0.000 1.154 270 P CA 2.238 65.327 63.100 -0.019 0.000 0.865 270 P CB -0.248 31.443 31.700 -0.014 0.000 0.789 271 A N -1.093 121.726 122.820 -0.003 0.000 1.897 271 A HA -0.107 4.214 4.320 0.000 0.000 0.215 271 A C 2.333 179.926 177.584 0.014 0.000 1.181 271 A CA 1.535 53.578 52.037 0.009 0.000 0.620 271 A CB -1.522 17.490 19.000 0.020 0.000 0.821 271 A HN 0.015 nan 8.150 nan 0.000 0.443 272 V N 0.384 120.311 119.914 0.021 0.000 2.261 272 V HA -0.286 3.834 4.120 0.000 0.000 0.246 272 V C 2.500 178.548 176.094 -0.077 0.000 1.047 272 V CA 2.386 64.684 62.300 -0.003 0.000 1.015 272 V CB -0.734 31.123 31.823 0.057 0.000 0.642 272 V HN 0.690 nan 8.190 nan 0.000 0.446 273 K N 0.042 120.440 120.400 -0.003 0.000 2.052 273 K HA -0.339 3.981 4.320 0.000 0.000 0.215 273 K C 2.187 178.761 176.600 -0.044 0.000 1.053 273 K CA 2.492 58.794 56.287 0.025 0.000 0.934 273 K CB -0.198 32.303 32.500 0.001 0.000 0.717 273 K HN 0.432 nan 8.250 nan 0.000 0.450 274 E N 0.064 120.233 120.200 -0.051 0.000 2.072 274 E HA -0.097 4.253 4.350 0.000 0.000 0.191 274 E C 1.671 178.215 176.600 -0.093 0.000 0.985 274 E CA 1.558 57.923 56.400 -0.058 0.000 0.801 274 E CB -0.305 29.375 29.700 -0.032 0.000 0.750 274 E HN 0.412 nan 8.360 nan 0.000 0.452 275 A N -0.127 122.630 122.820 -0.104 0.000 1.933 275 A HA -0.127 4.193 4.320 0.000 0.000 0.218 275 A C 2.427 179.845 177.584 -0.277 0.000 1.175 275 A CA 1.711 53.686 52.037 -0.104 0.000 0.628 275 A CB -0.492 18.543 19.000 0.059 0.000 0.814 275 A HN 0.211 nan 8.150 nan 0.000 0.444 276 V N -0.500 119.113 119.914 -0.500 0.000 2.500 276 V HA -0.125 3.995 4.120 0.000 0.000 0.243 276 V C 2.249 178.100 176.094 -0.404 0.000 1.039 276 V CA 1.704 63.604 62.300 -0.666 0.000 1.053 276 V CB -0.589 30.521 31.823 -1.188 0.000 0.695 276 V HN 0.590 nan 8.190 nan 0.000 0.463 277 E N 0.871 120.915 120.200 -0.261 0.000 2.208 277 E HA -0.137 4.213 4.350 0.000 0.000 0.193 277 E C 2.189 178.721 176.600 -0.115 0.000 0.988 277 E CA 1.400 57.714 56.400 -0.144 0.000 0.828 277 E CB -0.116 29.540 29.700 -0.073 0.000 0.763 277 E HN 0.709 nan 8.360 nan 0.000 0.478 278 S N 0.480 116.112 115.700 -0.115 0.000 2.561 278 S HA 0.160 4.630 4.470 0.000 0.000 0.225 278 S C 0.919 175.460 174.600 -0.098 0.000 0.977 278 S CA -0.025 58.123 58.200 -0.086 0.000 0.926 278 S CB 0.089 63.251 63.200 -0.064 0.000 0.769 278 S HN 0.186 nan 8.310 nan 0.000 0.533 279 A N 2.625 125.361 122.820 -0.140 0.000 2.425 279 A HA 0.393 4.714 4.320 0.000 0.000 0.249 279 A C 0.883 178.384 177.584 -0.138 0.000 1.084 279 A CA -0.016 51.929 52.037 -0.153 0.000 0.781 279 A CB 0.217 19.087 19.000 -0.217 0.000 1.019 279 A HN 0.500 nan 8.150 nan 0.000 0.490 280 D N 0.585 120.908 120.400 -0.128 0.000 2.369 280 D HA 0.262 4.903 4.640 0.000 0.000 0.211 280 D C -0.232 175.992 176.300 -0.126 0.000 1.077 280 D CA 0.036 53.971 54.000 -0.107 0.000 0.842 280 D CB 0.067 40.820 40.800 -0.079 0.000 0.947 280 D HN 0.258 nan 8.370 nan 0.000 0.509 281 L N 0.177 121.296 121.223 -0.174 0.000 2.526 281 L HA 0.467 4.807 4.340 0.000 0.000 0.263 281 L C -1.920 174.813 176.870 -0.228 0.000 0.943 281 L CA -0.846 53.886 54.840 -0.180 0.000 0.859 281 L CB 2.407 44.358 42.059 -0.180 0.000 1.313 281 L HN -0.188 nan 8.230 nan 0.000 0.406 282 V N 5.996 125.769 119.914 -0.236 0.000 2.409 282 V HA 0.471 4.591 4.120 0.000 0.000 0.291 282 V C -0.276 175.711 176.094 -0.179 0.000 1.020 282 V CA -0.441 61.679 62.300 -0.301 0.000 0.848 282 V CB 1.621 33.085 31.823 -0.598 0.000 0.990 282 V HN 0.607 nan 8.190 nan 0.000 0.430 283 L N 4.388 125.563 121.223 -0.081 0.000 2.272 283 L HA 0.464 4.804 4.340 0.000 0.000 0.284 283 L C 0.459 177.368 176.870 0.064 0.000 1.045 283 L CA 0.135 55.008 54.840 0.055 0.000 0.842 283 L CB 1.347 43.503 42.059 0.162 0.000 1.224 283 L HN 0.666 nan 8.230 nan 0.000 0.430 284 S N 3.350 119.080 115.700 0.049 0.000 2.429 284 S HA 0.574 5.045 4.470 0.000 0.000 0.302 284 S C -0.432 174.241 174.600 0.122 0.000 1.115 284 S CA -0.558 57.676 58.200 0.057 0.000 1.095 284 S CB 1.129 64.348 63.200 0.032 0.000 0.987 284 S HN 0.262 nan 8.310 nan 0.000 0.474 285 V N 4.905 124.874 119.914 0.092 0.000 2.334 285 V HA 0.679 4.799 4.120 0.000 0.000 0.281 285 V C 1.070 177.152 176.094 -0.020 0.000 1.016 285 V CA 0.139 62.474 62.300 0.059 0.000 0.832 285 V CB 0.385 32.208 31.823 0.000 0.000 0.999 285 V HN 1.333 nan 8.190 nan 0.000 0.439 286 G N 4.134 112.873 108.800 -0.101 0.000 2.171 286 G HA2 -0.032 3.928 3.960 0.000 0.000 0.238 286 G HA3 -0.032 3.928 3.960 0.000 0.000 0.238 286 G C 0.325 175.138 174.900 -0.144 0.000 1.039 286 G CA -0.014 45.010 45.100 -0.127 0.000 0.759 286 G HN 1.463 nan 8.290 nan 0.000 0.501 287 A N -0.517 122.170 122.820 -0.223 0.000 2.498 287 A HA 0.622 4.942 4.320 0.000 0.000 0.239 287 A C 1.422 178.979 177.584 -0.044 0.000 1.068 287 A CA 0.787 52.768 52.037 -0.093 0.000 0.766 287 A CB 0.178 19.171 19.000 -0.013 0.000 1.003 287 A HN 1.494 nan 8.150 nan 0.000 0.497 288 L N 0.876 122.075 121.223 -0.039 0.000 2.638 288 L HA 0.517 4.857 4.340 0.000 0.000 0.232 288 L C 0.036 176.931 176.870 0.042 0.000 1.099 288 L CA 0.545 55.329 54.840 -0.093 0.000 0.883 288 L CB -0.754 41.109 42.059 -0.327 0.000 1.136 288 L HN 0.464 nan 8.230 nan 0.000 0.492 289 L N -0.382 120.893 121.223 0.086 0.000 2.409 289 L HA 0.508 4.848 4.340 0.000 0.000 0.262 289 L C -0.421 176.624 176.870 0.291 0.000 0.992 289 L CA -0.438 54.506 54.840 0.173 0.000 0.817 289 L CB 2.483 44.601 42.059 0.098 0.000 1.350 289 L HN -0.164 nan 8.230 nan 0.000 0.411 290 S N 1.829 117.702 115.700 0.289 0.000 3.681 290 S HA 0.271 4.741 4.470 0.000 0.000 0.203 290 S C -0.748 174.004 174.600 0.253 0.000 1.408 290 S CA -0.292 58.083 58.200 0.293 0.000 0.942 290 S CB -0.535 62.820 63.200 0.259 0.000 1.437 290 S HN 0.770 nan 8.310 nan 0.000 0.482 291 D N 1.049 121.641 120.400 0.321 0.000 8.797 291 D HA -0.145 4.495 4.640 0.000 0.000 0.267 291 D C -0.526 175.954 176.300 0.300 0.000 2.451 291 D CA 0.083 54.222 54.000 0.231 0.000 2.310 291 D CB -1.383 39.454 40.800 0.063 0.000 0.927 291 D HN 0.388 nan 8.370 nan 0.000 0.634 292 F N 0.936 120.957 119.950 0.118 0.000 2.692 292 F HA 0.794 5.322 4.527 0.000 0.000 0.320 292 F C -0.919 174.870 175.800 -0.018 0.000 1.123 292 F CA -1.270 56.752 58.000 0.037 0.000 0.961 292 F CB 1.272 40.280 39.000 0.013 0.000 1.383 292 F HN 0.250 nan 8.300 nan 0.000 0.483 293 N N 0.056 118.778 118.700 0.038 0.000 2.284 293 N HA 0.634 5.374 4.740 0.000 0.000 0.300 293 N C -1.124 174.327 175.510 -0.098 0.000 1.047 293 N CA -0.408 52.557 53.050 -0.142 0.000 0.821 293 N CB 2.362 40.800 38.487 -0.082 0.000 1.337 293 N HN 0.764 nan 8.380 nan 0.000 0.482 294 T N -0.438 113.901 114.554 -0.359 0.000 2.937 294 T HA 0.401 4.751 4.350 0.000 0.000 0.283 294 T C 1.455 176.037 174.700 -0.198 0.000 1.012 294 T CA -0.553 61.366 62.100 -0.301 0.000 0.997 294 T CB 1.233 69.746 68.868 -0.592 0.000 1.136 294 T HN 0.541 nan 8.240 nan 0.000 0.551 295 G N 0.168 108.901 108.800 -0.112 0.000 2.559 295 G HA2 -0.072 3.888 3.960 0.000 0.000 0.216 295 G HA3 -0.072 3.888 3.960 0.000 0.000 0.216 295 G C 1.199 176.078 174.900 -0.035 0.000 1.126 295 G CA 0.514 45.576 45.100 -0.063 0.000 0.778 295 G HN 0.579 nan 8.290 nan 0.000 0.543 296 S N -0.926 114.763 115.700 -0.018 0.000 2.599 296 S HA 0.381 4.851 4.470 0.000 0.000 0.236 296 S C 0.102 174.773 174.600 0.117 0.000 1.077 296 S CA -0.144 58.093 58.200 0.061 0.000 0.906 296 S CB 0.293 63.619 63.200 0.209 0.000 0.804 296 S HN 0.478 nan 8.310 nan 0.000 0.497 297 F N 0.182 120.131 119.950 -0.002 0.000 2.626 297 F HA 0.821 5.348 4.527 0.000 0.000 0.311 297 F C -0.934 174.799 175.800 -0.112 0.000 1.088 297 F CA -1.263 56.699 58.000 -0.063 0.000 0.949 297 F CB 1.047 40.021 39.000 -0.043 0.000 1.322 297 F HN -0.325 nan 8.300 nan 0.000 0.461 298 S N 1.273 116.974 115.700 0.001 0.000 2.442 298 S HA 0.363 4.833 4.470 0.000 0.000 0.297 298 S C -1.606 172.958 174.600 -0.061 0.000 1.131 298 S CA -0.418 57.709 58.200 -0.122 0.000 1.092 298 S CB 0.606 63.744 63.200 -0.105 0.000 0.998 298 S HN 0.644 nan 8.310 nan 0.000 0.478 299 Y N 2.523 122.581 120.300 -0.403 0.000 2.353 299 Y HA 0.598 5.149 4.550 0.000 0.000 0.340 299 Y C 0.148 175.837 175.900 -0.351 0.000 0.972 299 Y CA 0.191 58.044 58.100 -0.413 0.000 1.157 299 Y CB 0.809 38.822 38.460 -0.744 0.000 1.157 299 Y HN 0.660 nan 8.280 nan 0.000 0.495 300 S N 3.920 119.198 115.700 -0.703 0.000 2.587 300 S HA 0.526 4.996 4.470 0.000 0.000 0.269 300 S C -2.072 172.143 174.600 -0.642 0.000 1.154 300 S CA -0.579 57.282 58.200 -0.565 0.000 0.824 300 S CB 0.641 63.692 63.200 -0.248 0.000 1.118 300 S HN 0.497 nan 8.310 nan 0.000 0.462 301 Y N 1.952 122.178 120.300 -0.123 0.000 2.487 301 Y HA 0.497 5.047 4.550 0.000 0.000 0.337 301 Y C 1.018 176.863 175.900 -0.092 0.000 1.076 301 Y CA -1.057 56.963 58.100 -0.133 0.000 1.115 301 Y CB 1.023 39.396 38.460 -0.145 0.000 1.235 301 Y HN 0.676 nan 8.280 nan 0.000 0.468 302 K N -0.629 119.809 120.400 0.062 0.000 2.493 302 K HA 0.208 4.528 4.320 0.000 0.000 0.207 302 K C -0.558 176.042 176.600 0.001 0.000 1.033 302 K CA -0.124 56.171 56.287 0.014 0.000 1.161 302 K CB -0.136 32.356 32.500 -0.012 0.000 0.873 302 K HN 0.656 nan 8.250 nan 0.000 0.491 303 T N -1.804 112.753 114.554 0.006 0.000 2.895 303 T HA 0.331 4.681 4.350 0.000 0.000 0.283 303 T C 0.715 175.420 174.700 0.008 0.000 1.014 303 T CA -1.043 61.047 62.100 -0.016 0.000 1.037 303 T CB 1.973 70.805 68.868 -0.061 0.000 1.006 303 T HN -0.130 nan 8.240 nan 0.000 0.468 304 K N 1.185 121.586 120.400 0.001 0.000 2.148 304 K HA 0.004 4.325 4.320 0.000 0.000 0.204 304 K C 0.378 176.981 176.600 0.004 0.000 1.050 304 K CA 0.681 56.975 56.287 0.011 0.000 0.942 304 K CB -0.313 32.191 32.500 0.006 0.000 0.724 304 K HN 0.566 nan 8.250 nan 0.000 0.446 305 N N 2.225 120.912 118.700 -0.021 0.000 2.819 305 N HA 0.031 4.771 4.740 0.000 0.000 0.284 305 N C -0.357 175.116 175.510 -0.062 0.000 1.196 305 N CA 0.408 53.436 53.050 -0.036 0.000 1.114 305 N CB 0.115 38.572 38.487 -0.051 0.000 1.437 305 N HN 0.034 nan 8.380 nan 0.000 0.518 306 I N 1.304 121.853 120.570 -0.035 0.000 2.441 306 I HA 0.361 4.531 4.170 0.000 0.000 0.295 306 I C 0.229 176.315 176.117 -0.053 0.000 0.994 306 I CA -0.935 60.331 61.300 -0.056 0.000 1.144 306 I CB 1.694 39.712 38.000 0.029 0.000 1.314 306 I HN -0.140 nan 8.210 nan 0.000 0.445 307 V N 5.821 125.674 119.914 -0.102 0.000 2.448 307 V HA 0.382 4.502 4.120 0.000 0.000 0.295 307 V C -0.097 175.865 176.094 -0.219 0.000 1.025 307 V CA -0.666 61.523 62.300 -0.184 0.000 0.859 307 V CB 1.902 33.579 31.823 -0.243 0.000 0.988 307 V HN 0.677 nan 8.190 nan 0.000 0.431 308 E N 4.045 124.098 120.200 -0.245 0.000 2.155 308 E HA 0.464 4.815 4.350 0.000 0.000 0.264 308 E C -1.484 174.870 176.600 -0.410 0.000 0.886 308 E CA -0.417 55.841 56.400 -0.237 0.000 0.752 308 E CB 1.689 31.366 29.700 -0.038 0.000 1.133 308 E HN 0.547 nan 8.360 nan 0.000 0.414 309 F N 3.391 123.202 119.950 -0.231 0.000 2.421 309 F HA 0.233 4.760 4.527 -0.000 0.000 0.358 309 F C 0.944 176.505 175.800 -0.398 0.000 1.115 309 F CA -0.273 57.594 58.000 -0.223 0.000 1.160 309 F CB 0.490 39.403 39.000 -0.145 0.000 1.123 309 F HN 0.364 nan 8.300 nan 0.000 0.508 310 H N 0.354 119.281 119.070 -0.239 0.000 2.676 310 H HA 0.177 4.733 4.556 0.000 0.000 0.352 310 H C 1.029 176.191 175.328 -0.277 0.000 1.193 310 H CA -0.011 55.829 56.048 -0.346 0.000 1.243 310 H CB 1.832 31.148 29.762 -0.743 0.000 1.751 310 H HN 0.558 nan 8.280 nan 0.000 0.567 311 S N -0.313 115.263 115.700 -0.206 0.000 2.400 311 S HA -0.191 4.279 4.470 0.000 0.000 0.232 311 S C 1.047 175.544 174.600 -0.172 0.000 1.025 311 S CA 2.014 59.978 58.200 -0.394 0.000 0.993 311 S CB 0.018 62.556 63.200 -1.103 0.000 0.808 311 S HN 0.627 nan 8.310 nan 0.000 0.478 312 D N -0.576 119.811 120.400 -0.022 0.000 2.500 312 D HA 0.256 4.896 4.640 0.000 0.000 0.218 312 D C -0.174 176.278 176.300 0.253 0.000 1.140 312 D CA -0.294 53.775 54.000 0.114 0.000 0.830 312 D CB 0.737 41.624 40.800 0.144 0.000 1.055 312 D HN 0.672 nan 8.370 nan 0.000 0.512 313 Y N -2.833 117.514 120.300 0.078 0.000 2.725 313 Y HA 0.614 5.164 4.550 0.000 0.000 0.333 313 Y C -1.128 174.872 175.900 0.165 0.000 1.242 313 Y CA -1.300 56.864 58.100 0.106 0.000 1.059 313 Y CB 0.899 39.389 38.460 0.049 0.000 1.306 313 Y HN -0.279 nan 8.280 nan 0.000 0.454 314 T N 1.282 115.955 114.554 0.199 0.000 2.881 314 T HA 0.500 4.850 4.350 0.000 0.000 0.290 314 T C -1.669 173.195 174.700 0.273 0.000 1.000 314 T CA -0.730 61.402 62.100 0.054 0.000 0.978 314 T CB 1.006 69.853 68.868 -0.036 0.000 0.997 314 T HN 0.862 nan 8.240 nan 0.000 0.443 315 K N 4.691 125.194 120.400 0.172 0.000 2.182 315 K HA 0.723 5.044 4.320 0.000 0.000 0.262 315 K C -1.116 175.552 176.600 0.115 0.000 0.957 315 K CA -0.696 55.735 56.287 0.240 0.000 0.842 315 K CB 0.847 33.517 32.500 0.283 0.000 1.099 315 K HN 0.581 nan 8.250 nan 0.000 0.438 316 I N 6.094 126.780 120.570 0.195 0.000 2.439 316 I HA 0.329 4.499 4.170 0.000 0.000 0.283 316 I C 0.334 176.517 176.117 0.110 0.000 1.023 316 I CA -0.786 60.587 61.300 0.121 0.000 1.100 316 I CB 1.483 39.586 38.000 0.172 0.000 1.238 316 I HN 0.880 nan 8.210 nan 0.000 0.445 317 R N 2.677 123.214 120.500 0.062 0.000 3.812 317 R HA -0.275 4.065 4.340 0.000 0.000 0.448 317 R C 1.213 177.549 176.300 0.061 0.000 0.241 317 R CA 1.819 57.952 56.100 0.054 0.000 1.418 317 R CB -1.389 28.936 30.300 0.042 0.000 0.951 317 R HN 0.580 nan 8.270 nan 0.000 0.584 318 S N 0.638 116.364 115.700 0.042 0.000 2.528 318 S HA 0.255 4.725 4.470 0.000 0.000 0.219 318 S C 0.380 174.980 174.600 0.001 0.000 0.985 318 S CA 0.276 58.490 58.200 0.024 0.000 0.914 318 S CB 0.551 63.756 63.200 0.008 0.000 0.776 318 S HN 0.582 nan 8.310 nan 0.000 0.526 319 A N 1.893 124.714 122.820 0.001 0.000 2.320 319 A HA 0.553 4.873 4.320 0.000 0.000 0.287 319 A C 0.164 177.682 177.584 -0.110 0.000 1.181 319 A CA -0.175 51.791 52.037 -0.118 0.000 0.831 319 A CB 0.255 19.172 19.000 -0.140 0.000 1.102 319 A HN 0.172 nan 8.150 nan 0.000 0.513 320 T N 2.512 116.940 114.554 -0.210 0.000 2.829 320 T HA 0.529 4.879 4.350 0.000 0.000 0.282 320 T C -0.876 173.670 174.700 -0.257 0.000 0.990 320 T CA 0.230 62.288 62.100 -0.071 0.000 1.028 320 T CB 0.202 69.020 68.868 -0.084 0.000 0.951 320 T HN 0.335 nan 8.240 nan 0.000 0.460 321 F N 4.249 124.270 119.950 0.118 0.000 2.307 321 F HA 0.356 4.883 4.527 -0.000 0.000 0.369 321 F C -2.181 173.698 175.800 0.133 0.000 1.076 321 F CA -2.620 55.438 58.000 0.096 0.000 1.149 321 F CB 0.723 39.770 39.000 0.079 0.000 1.410 321 F HN 0.286 nan 8.300 nan 0.000 0.481 322 P HA 0.214 nan 4.420 nan 0.000 0.269 322 P C 0.925 178.332 177.300 0.178 0.000 1.209 322 P CA 0.607 63.792 63.100 0.141 0.000 0.776 322 P CB 1.011 32.729 31.700 0.029 0.000 0.876 323 G N 0.857 109.766 108.800 0.181 0.000 2.205 323 G HA2 -0.232 3.728 3.960 0.000 0.000 0.261 323 G HA3 -0.232 3.728 3.960 0.000 0.000 0.261 323 G C 0.030 175.036 174.900 0.177 0.000 0.980 323 G CA 0.040 45.236 45.100 0.160 0.000 0.632 323 G HN 0.522 nan 8.290 nan 0.000 0.533 324 V N 2.303 122.342 119.914 0.209 0.000 2.322 324 V HA 0.392 4.512 4.120 0.000 0.000 0.258 324 V C 0.568 176.762 176.094 0.167 0.000 1.074 324 V CA -0.057 62.356 62.300 0.188 0.000 0.909 324 V CB 0.887 32.816 31.823 0.178 0.000 1.090 324 V HN 0.483 nan 8.190 nan 0.000 0.486 325 Q N 3.419 123.309 119.800 0.151 0.000 2.259 325 Q HA 0.370 4.711 4.340 0.000 0.000 0.249 325 Q C 1.203 177.232 176.000 0.048 0.000 0.914 325 Q CA -0.403 55.443 55.803 0.072 0.000 0.904 325 Q CB 1.819 30.574 28.738 0.028 0.000 1.213 325 Q HN 0.752 nan 8.270 nan 0.000 0.428 326 M N 2.714 122.312 119.600 -0.003 0.000 2.073 326 M HA -0.285 4.195 4.480 0.000 0.000 0.258 326 M C 1.849 178.096 176.300 -0.087 0.000 1.070 326 M CA 1.979 57.283 55.300 0.006 0.000 1.103 326 M CB -0.014 32.559 32.600 -0.044 0.000 1.321 326 M HN 0.642 nan 8.290 nan 0.000 0.405 327 K N -0.509 119.785 120.400 -0.176 0.000 2.025 327 K HA -0.128 4.192 4.320 0.000 0.000 0.207 327 K C 1.661 178.208 176.600 -0.087 0.000 1.049 327 K CA 1.610 57.779 56.287 -0.196 0.000 0.933 327 K CB -0.188 32.149 32.500 -0.271 0.000 0.714 327 K HN 0.299 nan 8.250 nan 0.000 0.438 328 F N 1.024 120.974 119.950 -0.000 0.000 2.134 328 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 328 F C 2.477 178.273 175.800 -0.008 0.000 1.097 328 F CA 0.961 58.962 58.000 0.002 0.000 1.264 328 F CB -1.179 37.835 39.000 0.023 0.000 1.001 328 F HN 0.123 nan 8.300 nan 0.000 0.479 329 A N 0.066 122.997 122.820 0.186 0.000 1.930 329 A HA -0.080 4.240 4.320 0.000 0.000 0.217 329 A C 2.337 179.922 177.584 0.000 0.000 1.175 329 A CA 1.149 53.265 52.037 0.132 0.000 0.627 329 A CB -1.029 18.105 19.000 0.223 0.000 0.815 329 A HN 0.365 nan 8.150 nan 0.000 0.443 330 L N -0.881 120.247 121.223 -0.158 0.000 2.017 330 L HA -0.265 4.075 4.340 0.000 0.000 0.208 330 L C 2.913 179.702 176.870 -0.135 0.000 1.073 330 L CA 1.657 56.314 54.840 -0.306 0.000 0.745 330 L CB -0.689 41.138 42.059 -0.386 0.000 0.894 330 L HN 0.477 nan 8.230 nan 0.000 0.432 331 Q N -0.107 119.668 119.800 -0.042 0.000 2.096 331 Q HA -0.324 4.016 4.340 0.000 0.000 0.208 331 Q C 2.197 178.199 176.000 0.002 0.000 0.993 331 Q CA 2.158 57.966 55.803 0.008 0.000 0.862 331 Q CB -0.181 28.613 28.738 0.092 0.000 0.915 331 Q HN 0.200 nan 8.270 nan 0.000 0.416 332 K N 0.819 121.231 120.400 0.019 0.000 2.026 332 K HA -0.176 4.144 4.320 0.000 0.000 0.208 332 K C 1.824 178.420 176.600 -0.006 0.000 1.048 332 K CA 0.999 57.292 56.287 0.011 0.000 0.929 332 K CB -0.562 31.955 32.500 0.028 0.000 0.713 332 K HN 0.142 nan 8.250 nan 0.000 0.439 333 L N 0.776 121.989 121.223 -0.018 0.000 2.043 333 L HA -0.118 4.222 4.340 0.000 0.000 0.212 333 L C 1.877 178.721 176.870 -0.043 0.000 1.075 333 L CA 1.692 56.519 54.840 -0.023 0.000 0.752 333 L CB -0.415 41.615 42.059 -0.048 0.000 0.891 333 L HN 0.284 nan 8.230 nan 0.000 0.432 334 L N -0.817 120.368 121.223 -0.063 0.000 2.191 334 L HA -0.181 4.160 4.340 0.000 0.000 0.212 334 L C 2.408 179.251 176.870 -0.044 0.000 1.103 334 L CA 1.508 56.309 54.840 -0.066 0.000 0.769 334 L CB -1.068 40.950 42.059 -0.069 0.000 0.908 334 L HN 0.546 nan 8.230 nan 0.000 0.438 335 T N -3.771 110.766 114.554 -0.030 0.000 2.995 335 T HA -0.108 4.242 4.350 0.000 0.000 0.269 335 T C 1.602 176.291 174.700 -0.018 0.000 1.091 335 T CA 0.761 62.848 62.100 -0.021 0.000 1.128 335 T CB 0.041 68.901 68.868 -0.013 0.000 0.891 335 T HN 0.287 nan 8.240 nan 0.000 0.492 336 K N -0.345 120.044 120.400 -0.019 0.000 2.481 336 K HA 0.344 4.664 4.320 0.000 0.000 0.210 336 K C 1.738 178.329 176.600 -0.014 0.000 1.161 336 K CA 0.033 56.314 56.287 -0.011 0.000 1.023 336 K CB 0.791 33.290 32.500 -0.002 0.000 0.971 336 K HN 0.169 nan 8.250 nan 0.000 0.577 337 V N 1.541 121.436 119.914 -0.031 0.000 2.453 337 V HA -0.132 3.988 4.120 0.000 0.000 0.247 337 V C 2.164 178.221 176.094 -0.061 0.000 1.048 337 V CA 1.980 64.254 62.300 -0.044 0.000 1.049 337 V CB -0.046 31.730 31.823 -0.077 0.000 0.672 337 V HN 0.299 nan 8.190 nan 0.000 0.457 338 A N -0.273 122.509 122.820 -0.064 0.000 1.908 338 A HA -0.262 4.058 4.320 0.000 0.000 0.218 338 A C 1.952 179.523 177.584 -0.021 0.000 1.181 338 A CA 2.179 54.181 52.037 -0.059 0.000 0.627 338 A CB -0.718 18.254 19.000 -0.046 0.000 0.818 338 A HN 0.600 nan 8.150 nan 0.000 0.445 339 D N -0.057 120.338 120.400 -0.008 0.000 2.117 339 D HA -0.032 4.608 4.640 0.000 0.000 0.198 339 D C 2.233 178.548 176.300 0.026 0.000 0.982 339 D CA 1.510 55.516 54.000 0.010 0.000 0.828 339 D CB -0.471 40.334 40.800 0.008 0.000 0.967 339 D HN 0.428 nan 8.370 nan 0.000 0.464 340 A N 0.795 123.631 122.820 0.027 0.000 1.933 340 A HA 0.013 4.333 4.320 0.000 0.000 0.218 340 A C 2.110 179.749 177.584 0.091 0.000 1.175 340 A CA 1.846 53.914 52.037 0.053 0.000 0.628 340 A CB -0.359 18.672 19.000 0.053 0.000 0.814 340 A HN 0.224 nan 8.150 nan 0.000 0.444 341 A N -1.154 121.712 122.820 0.077 0.000 2.307 341 A HA 0.221 4.541 4.320 0.000 0.000 0.218 341 A C 1.693 179.370 177.584 0.155 0.000 1.228 341 A CA 0.703 52.827 52.037 0.144 0.000 0.857 341 A CB -0.330 18.631 19.000 -0.066 0.000 0.897 341 A HN 0.483 nan 8.150 nan 0.000 0.495 342 K N -0.047 120.413 120.400 0.098 0.000 2.066 342 K HA -0.257 4.063 4.320 0.000 0.000 0.221 342 K C 1.848 178.517 176.600 0.115 0.000 1.056 342 K CA 1.973 58.312 56.287 0.086 0.000 0.950 342 K CB -0.445 32.091 32.500 0.060 0.000 0.726 342 K HN 0.494 nan 8.250 nan 0.000 0.456 343 G N -0.659 108.219 108.800 0.130 0.000 2.598 343 G HA2 -0.206 3.754 3.960 0.000 0.000 0.215 343 G HA3 -0.206 3.754 3.960 0.000 0.000 0.215 343 G C 0.259 175.245 174.900 0.144 0.000 1.131 343 G CA -0.129 45.038 45.100 0.112 0.000 0.785 343 G HN 0.363 nan 8.290 nan 0.000 0.539 344 Y N 2.052 122.412 120.300 0.099 0.000 2.650 344 Y HA 0.271 4.821 4.550 0.000 0.000 0.331 344 Y C 0.267 176.220 175.900 0.088 0.000 1.165 344 Y CA -0.275 57.901 58.100 0.126 0.000 1.473 344 Y CB 0.356 38.983 38.460 0.278 0.000 1.224 344 Y HN -0.042 nan 8.280 nan 0.000 0.533 345 K N 8.478 128.537 120.400 -0.568 0.000 2.292 345 K HA 0.307 4.627 4.320 0.000 0.000 0.270 345 K C -2.621 173.525 176.600 -0.757 0.000 1.062 345 K CA -1.828 54.185 56.287 -0.457 0.000 0.916 345 K CB 0.716 33.064 32.500 -0.254 0.000 1.166 345 K HN 0.445 nan 8.250 nan 0.000 0.458 346 P HA -0.091 nan 4.420 nan 0.000 0.256 346 P C -0.470 176.781 177.300 -0.082 0.000 1.189 346 P CA -0.058 62.954 63.100 -0.146 0.000 0.808 346 P CB 0.271 32.023 31.700 0.087 0.000 0.793 347 V N 7.616 127.531 119.914 0.003 0.000 2.529 347 V HA 0.084 4.204 4.120 0.000 0.000 0.292 347 V C -1.345 174.798 176.094 0.082 0.000 1.028 347 V CA -1.169 61.163 62.300 0.053 0.000 1.074 347 V CB 0.099 31.997 31.823 0.125 0.000 0.958 347 V HN 0.558 nan 8.190 nan 0.000 0.481 348 P HA 0.127 nan 4.420 nan 0.000 0.267 348 P C -0.624 176.701 177.300 0.041 0.000 1.200 348 P CA 0.229 63.352 63.100 0.037 0.000 0.772 348 P CB 0.818 32.531 31.700 0.023 0.000 0.855 349 V N -0.043 119.882 119.914 0.018 0.000 2.715 349 V HA 0.644 4.764 4.120 0.000 0.000 0.310 349 V C -2.510 173.574 176.094 -0.016 0.000 1.054 349 V CA -2.609 59.681 62.300 -0.016 0.000 0.928 349 V CB 0.749 32.495 31.823 -0.129 0.000 1.007 349 V HN 0.343 nan 8.190 nan 0.000 0.437 350 P HA 0.464 nan 4.420 nan 0.000 0.271 350 P C -0.483 176.791 177.300 -0.042 0.000 1.233 350 P CA 0.038 63.145 63.100 0.011 0.000 0.789 350 P CB 0.630 32.375 31.700 0.075 0.000 0.951 351 S N -1.070 114.624 115.700 -0.011 0.000 2.570 351 S HA 0.498 4.968 4.470 0.000 0.000 0.270 351 S C -1.030 173.587 174.600 0.028 0.000 1.149 351 S CA -0.943 57.259 58.200 0.003 0.000 0.837 351 S CB 1.815 65.051 63.200 0.059 0.000 1.124 351 S HN 0.261 nan 8.310 nan 0.000 0.465 352 E N 1.174 121.402 120.200 0.047 0.000 2.227 352 E HA 0.564 4.915 4.350 0.000 0.000 0.268 352 E C -2.649 174.097 176.600 0.244 0.000 0.990 352 E CA -2.205 54.250 56.400 0.091 0.000 0.856 352 E CB 0.968 30.675 29.700 0.012 0.000 1.159 352 E HN 0.479 nan 8.360 nan 0.000 0.401 353 P HA 0.053 nan 4.420 nan 0.000 0.267 353 P C 0.184 177.445 177.300 -0.066 0.000 1.200 353 P CA 0.282 63.409 63.100 0.045 0.000 0.772 353 P CB 0.739 32.449 31.700 0.016 0.000 0.855 354 E N 0.118 120.091 120.200 -0.378 0.000 2.299 354 E HA -0.042 4.308 4.350 0.000 0.000 0.193 354 E C 0.196 176.281 176.600 -0.858 0.000 0.998 354 E CA 0.656 56.541 56.400 -0.859 0.000 0.851 354 E CB 0.117 29.223 29.700 -0.990 0.000 0.795 354 E HN 0.568 nan 8.360 nan 0.000 0.492 355 H N -0.858 118.141 119.070 -0.118 0.000 2.980 355 H HA 0.309 4.865 4.556 0.000 0.000 0.367 355 H C -0.558 174.719 175.328 -0.085 0.000 1.206 355 H CA -0.813 55.175 56.048 -0.100 0.000 1.126 355 H CB 1.141 30.866 29.762 -0.062 0.000 1.838 355 H HN -0.089 nan 8.280 nan 0.000 0.552 356 N N 1.693 120.407 118.700 0.024 0.000 2.498 356 N HA 0.069 4.809 4.740 0.000 0.000 0.287 356 N C -0.027 175.552 175.510 0.114 0.000 1.097 356 N CA -0.445 52.616 53.050 0.020 0.000 0.973 356 N CB 1.705 40.122 38.487 -0.116 0.000 1.153 356 N HN 0.580 nan 8.380 nan 0.000 0.472 357 E N 0.344 120.617 120.200 0.122 0.000 2.415 357 E HA 0.289 4.640 4.350 0.000 0.000 0.262 357 E C -0.231 176.453 176.600 0.141 0.000 1.038 357 E CA -0.559 55.906 56.400 0.109 0.000 0.921 357 E CB 0.624 30.373 29.700 0.081 0.000 0.950 357 E HN 0.457 nan 8.360 nan 0.000 0.438 358 A N 2.392 125.273 122.820 0.103 0.000 2.498 358 A HA 0.352 4.672 4.320 0.000 0.000 0.239 358 A C 0.302 177.936 177.584 0.082 0.000 1.068 358 A CA -0.129 51.969 52.037 0.102 0.000 0.766 358 A CB 0.108 19.146 19.000 0.063 0.000 1.003 358 A HN 0.698 nan 8.150 nan 0.000 0.497 359 V N -1.416 118.539 119.914 0.069 0.000 3.159 359 V HA 0.862 4.982 4.120 0.000 0.000 0.308 359 V C 0.279 176.363 176.094 -0.017 0.000 1.190 359 V CA -0.771 61.533 62.300 0.007 0.000 1.037 359 V CB 0.936 32.730 31.823 -0.048 0.000 1.060 359 V HN 1.976 nan 8.190 nan 0.000 0.437 360 A N 0.850 123.648 122.820 -0.037 0.000 2.565 360 A HA 0.215 4.535 4.320 0.000 0.000 0.237 360 A C 0.931 178.474 177.584 -0.067 0.000 1.053 360 A CA 0.602 52.615 52.037 -0.041 0.000 0.755 360 A CB -0.404 18.570 19.000 -0.043 0.000 0.980 360 A HN 1.013 nan 8.150 nan 0.000 0.506 361 D N 1.405 121.780 120.400 -0.042 0.000 2.190 361 D HA -0.156 4.485 4.640 0.000 0.000 0.200 361 D C 2.242 178.496 176.300 -0.076 0.000 0.992 361 D CA 2.076 56.048 54.000 -0.048 0.000 0.854 361 D CB -0.127 40.666 40.800 -0.013 0.000 0.936 361 D HN 0.712 nan 8.370 nan 0.000 0.462 362 S N -0.765 114.894 115.700 -0.069 0.000 2.555 362 S HA -0.051 4.419 4.470 0.000 0.000 0.230 362 S C 0.888 175.422 174.600 -0.110 0.000 0.978 362 S CA 0.086 58.242 58.200 -0.073 0.000 0.934 362 S CB -0.560 62.609 63.200 -0.051 0.000 0.766 362 S HN -0.024 nan 8.310 nan 0.000 0.533 363 T N 5.256 119.716 114.554 -0.157 0.000 2.822 363 T HA 0.181 4.531 4.350 0.000 0.000 0.288 363 T C -2.533 172.022 174.700 -0.243 0.000 0.991 363 T CA -0.568 61.407 62.100 -0.208 0.000 1.176 363 T CB 0.272 68.966 68.868 -0.288 0.000 0.951 363 T HN 0.264 nan 8.240 nan 0.000 0.526 364 P HA 0.084 nan 4.420 nan 0.000 0.266 364 P C 0.045 177.210 177.300 -0.225 0.000 1.195 364 P CA -0.233 62.773 63.100 -0.156 0.000 0.768 364 P CB 0.355 31.996 31.700 -0.098 0.000 0.838 365 L N 3.743 124.847 121.223 -0.198 0.000 2.499 365 L HA 0.092 4.433 4.340 0.000 0.000 0.273 365 L C 1.076 177.866 176.870 -0.134 0.000 1.195 365 L CA 0.536 55.244 54.840 -0.221 0.000 0.882 365 L CB -0.038 41.955 42.059 -0.110 0.000 1.133 365 L HN 0.240 nan 8.230 nan 0.000 0.483 366 K N 3.258 123.590 120.400 -0.112 0.000 2.318 366 K HA 0.259 4.579 4.320 0.000 0.000 0.249 366 K C 0.326 176.910 176.600 -0.027 0.000 0.942 366 K CA -0.810 55.456 56.287 -0.036 0.000 0.808 366 K CB 2.118 34.613 32.500 -0.009 0.000 1.189 366 K HN 0.506 nan 8.250 nan 0.000 0.428 367 Q N 0.942 120.734 119.800 -0.013 0.000 2.077 367 Q HA -0.248 4.093 4.340 0.000 0.000 0.206 367 Q C 1.432 177.429 176.000 -0.005 0.000 0.989 367 Q CA 1.928 57.704 55.803 -0.045 0.000 0.853 367 Q CB 0.081 28.937 28.738 0.196 0.000 0.907 367 Q HN 0.554 nan 8.270 nan 0.000 0.418 368 E N 0.296 120.565 120.200 0.115 0.000 2.049 368 E HA -0.220 4.130 4.350 0.000 0.000 0.198 368 E C 1.457 178.094 176.600 0.063 0.000 1.007 368 E CA 1.609 58.089 56.400 0.133 0.000 0.809 368 E CB -0.455 29.311 29.700 0.110 0.000 0.749 368 E HN 0.427 nan 8.360 nan 0.000 0.450 369 W N -0.112 121.106 121.300 -0.138 0.000 2.317 369 W HA -0.254 4.407 4.660 0.000 0.000 0.318 369 W C 2.120 178.425 176.519 -0.356 0.000 1.227 369 W CA 2.145 59.368 57.345 -0.203 0.000 1.269 369 W CB -0.542 28.790 29.460 -0.214 0.000 1.155 369 W HN -0.027 nan 8.180 nan 0.000 0.484 370 V N -0.079 119.657 119.914 -0.296 0.000 2.343 370 V HA -0.339 3.781 4.120 0.000 0.000 0.247 370 V C 1.811 177.408 176.094 -0.829 0.000 1.051 370 V CA 2.242 64.034 62.300 -0.847 0.000 1.036 370 V CB -1.216 29.980 31.823 -1.045 0.000 0.654 370 V HN 0.375 nan 8.190 nan 0.000 0.451 371 W N -0.229 120.887 121.300 -0.306 0.000 2.363 371 W HA -0.187 4.473 4.660 0.000 0.000 0.296 371 W C 2.864 179.251 176.519 -0.220 0.000 1.212 371 W CA 1.293 58.487 57.345 -0.251 0.000 1.260 371 W CB -0.763 28.593 29.460 -0.172 0.000 1.131 371 W HN 0.157 nan 8.180 nan 0.000 0.530 372 T N -0.262 114.235 114.554 -0.095 0.000 2.777 372 T HA -0.258 4.092 4.350 0.000 0.000 0.266 372 T C 1.847 176.396 174.700 -0.252 0.000 1.040 372 T CA 1.874 63.892 62.100 -0.136 0.000 1.141 372 T CB -0.200 68.571 68.868 -0.163 0.000 0.868 372 T HN 0.007 nan 8.240 nan 0.000 0.444 373 Q N 0.388 119.851 119.800 -0.561 0.000 2.124 373 Q HA -0.002 4.339 4.340 0.000 0.000 0.202 373 Q C 2.205 178.128 176.000 -0.129 0.000 0.977 373 Q CA 1.348 56.791 55.803 -0.599 0.000 0.850 373 Q CB -0.683 27.196 28.738 -1.431 0.000 0.901 373 Q HN 0.459 nan 8.270 nan 0.000 0.429 374 V N -0.042 119.836 119.914 -0.060 0.000 2.453 374 V HA -0.277 3.843 4.120 0.000 0.000 0.252 374 V C 2.102 178.369 176.094 0.287 0.000 1.068 374 V CA 1.876 64.317 62.300 0.235 0.000 1.070 374 V CB -1.257 30.670 31.823 0.174 0.000 0.664 374 V HN 0.611 nan 8.190 nan 0.000 0.461 375 G N -0.301 108.612 108.800 0.187 0.000 2.462 375 G HA2 -0.207 3.753 3.960 0.000 0.000 0.220 375 G HA3 -0.207 3.753 3.960 0.000 0.000 0.220 375 G C 1.382 176.379 174.900 0.160 0.000 1.121 375 G CA 0.640 45.853 45.100 0.189 0.000 0.758 375 G HN 0.569 nan 8.290 nan 0.000 0.559 376 E N -0.232 120.071 120.200 0.172 0.000 2.274 376 E HA -0.035 4.316 4.350 0.000 0.000 0.194 376 E C 1.888 178.638 176.600 0.250 0.000 0.996 376 E CA 0.289 56.807 56.400 0.197 0.000 0.840 376 E CB -0.159 29.666 29.700 0.207 0.000 0.772 376 E HN 0.563 nan 8.360 nan 0.000 0.491 377 F N 1.369 121.408 119.950 0.148 0.000 2.387 377 F HA 0.130 4.657 4.527 0.000 0.000 0.294 377 F C 0.935 176.782 175.800 0.079 0.000 1.093 377 F CA 0.087 58.169 58.000 0.137 0.000 1.420 377 F CB 0.186 39.299 39.000 0.189 0.000 1.086 377 F HN -0.214 nan 8.300 nan 0.000 0.531 378 L N 2.566 123.787 121.223 -0.004 0.000 2.467 378 L HA 0.217 4.557 4.340 0.000 0.000 0.270 378 L C 0.234 177.002 176.870 -0.171 0.000 1.205 378 L CA -0.196 54.552 54.840 -0.154 0.000 0.828 378 L CB 0.417 42.483 42.059 0.011 0.000 1.101 378 L HN 0.148 nan 8.230 nan 0.000 0.479 379 R N 0.552 120.928 120.500 -0.208 0.000 2.837 379 R HA 0.438 4.778 4.340 0.000 0.000 0.271 379 R C -1.032 175.204 176.300 -0.106 0.000 0.993 379 R CA -0.967 55.049 56.100 -0.140 0.000 0.931 379 R CB 1.323 31.524 30.300 -0.166 0.000 1.206 379 R HN 0.499 nan 8.270 nan 0.000 0.474 380 E N 0.373 120.533 120.200 -0.067 0.000 2.608 380 E HA 0.056 4.406 4.350 0.000 0.000 0.259 380 E C 0.560 177.124 176.600 -0.059 0.000 0.951 380 E CA 1.643 58.012 56.400 -0.051 0.000 0.945 380 E CB 0.299 29.980 29.700 -0.032 0.000 0.916 380 E HN 0.923 nan 8.360 nan 0.000 0.477 381 G N 3.135 111.903 108.800 -0.053 0.000 2.194 381 G HA2 -0.220 3.740 3.960 0.000 0.000 0.236 381 G HA3 -0.220 3.740 3.960 0.000 0.000 0.236 381 G C -0.036 174.831 174.900 -0.054 0.000 0.987 381 G CA -0.052 45.022 45.100 -0.044 0.000 0.635 381 G HN 0.581 nan 8.290 nan 0.000 0.520 382 D N 0.242 120.588 120.400 -0.089 0.000 2.449 382 D HA 0.388 5.028 4.640 0.000 0.000 0.236 382 D C 0.583 176.843 176.300 -0.067 0.000 1.149 382 D CA 0.364 54.304 54.000 -0.099 0.000 0.878 382 D CB 1.536 42.242 40.800 -0.157 0.000 1.198 382 D HN 0.195 nan 8.370 nan 0.000 0.446 383 V N 2.390 122.291 119.914 -0.023 0.000 2.370 383 V HA 0.274 4.394 4.120 0.000 0.000 0.283 383 V C 0.080 176.184 176.094 0.017 0.000 1.023 383 V CA -0.695 61.629 62.300 0.039 0.000 0.857 383 V CB 1.810 33.675 31.823 0.071 0.000 0.985 383 V HN 0.217 nan 8.190 nan 0.000 0.443 384 V N 6.933 126.837 119.914 -0.016 0.000 2.350 384 V HA 0.517 4.638 4.120 0.000 0.000 0.285 384 V C -0.261 175.915 176.094 0.137 0.000 1.014 384 V CA -0.335 61.983 62.300 0.030 0.000 0.831 384 V CB 1.464 33.198 31.823 -0.149 0.000 1.000 384 V HN 0.680 nan 8.190 nan 0.000 0.433 385 I N 4.815 125.502 120.570 0.195 0.000 2.378 385 I HA 0.615 4.785 4.170 0.000 0.000 0.291 385 I C 0.111 176.394 176.117 0.276 0.000 0.992 385 I CA -0.253 61.164 61.300 0.194 0.000 1.154 385 I CB 2.207 40.282 38.000 0.124 0.000 1.315 385 I HN 0.677 nan 8.210 nan 0.000 0.448 386 T N 0.928 115.627 114.554 0.242 0.000 2.881 386 T HA 0.496 4.846 4.350 0.000 0.000 0.290 386 T C -0.610 174.191 174.700 0.169 0.000 1.000 386 T CA -0.884 61.361 62.100 0.243 0.000 0.978 386 T CB 2.299 71.243 68.868 0.126 0.000 0.997 386 T HN 0.430 nan 8.240 nan 0.000 0.443 387 E N 1.708 122.017 120.200 0.182 0.000 2.349 387 E HA 0.395 4.745 4.350 0.000 0.000 0.265 387 E C -0.139 176.510 176.600 0.082 0.000 1.064 387 E CA -0.244 56.243 56.400 0.145 0.000 0.886 387 E CB 0.721 30.515 29.700 0.158 0.000 1.036 387 E HN 0.678 nan 8.360 nan 0.000 0.413 388 T N 2.691 117.278 114.554 0.055 0.000 2.905 388 T HA 0.451 4.802 4.350 0.000 0.000 0.299 388 T C 0.246 174.986 174.700 0.066 0.000 1.024 388 T CA 1.068 63.179 62.100 0.019 0.000 1.151 388 T CB -0.214 68.651 68.868 -0.005 0.000 0.987 388 T HN 0.727 nan 8.240 nan 0.000 0.535 389 G N 2.470 111.335 108.800 0.108 0.000 2.315 389 G HA2 0.050 4.010 3.960 0.000 0.000 0.296 389 G HA3 0.050 4.010 3.960 0.000 0.000 0.296 389 G C 0.884 175.926 174.900 0.237 0.000 1.289 389 G CA 0.310 45.514 45.100 0.174 0.000 0.996 389 G HN 0.800 nan 8.290 nan 0.000 0.487 390 T N -1.695 113.006 114.554 0.246 0.000 2.737 390 T HA -0.122 4.228 4.350 0.000 0.000 0.269 390 T C 2.415 177.206 174.700 0.151 0.000 1.040 390 T CA 2.919 65.175 62.100 0.261 0.000 1.142 390 T CB -0.598 68.436 68.868 0.277 0.000 0.861 390 T HN 0.944 nan 8.240 nan 0.000 0.456 391 S N 2.193 117.991 115.700 0.163 0.000 2.365 391 S HA -0.027 4.443 4.470 0.000 0.000 0.225 391 S C 2.668 177.037 174.600 -0.385 0.000 1.039 391 S CA 1.233 59.416 58.200 -0.029 0.000 1.033 391 S CB -1.048 62.313 63.200 0.268 0.000 0.887 391 S HN 0.830 nan 8.310 nan 0.000 0.447 392 A N 0.540 123.231 122.820 -0.214 0.000 1.940 392 A HA -0.071 4.249 4.320 0.000 0.000 0.219 392 A C 1.826 179.080 177.584 -0.550 0.000 1.176 392 A CA 1.476 53.299 52.037 -0.356 0.000 0.631 392 A CB -0.760 18.020 19.000 -0.366 0.000 0.814 392 A HN 0.493 nan 8.150 nan 0.000 0.446 393 F N -0.295 119.490 119.950 -0.274 0.000 2.335 393 F HA 0.144 4.671 4.527 0.000 0.000 0.296 393 F C 2.576 178.084 175.800 -0.487 0.000 1.091 393 F CA 0.656 58.478 58.000 -0.296 0.000 1.399 393 F CB -0.754 38.143 39.000 -0.172 0.000 1.067 393 F HN 0.260 nan 8.300 nan 0.000 0.520 394 G N 0.137 108.508 108.800 -0.715 0.000 2.404 394 G HA2 -0.250 3.710 3.960 0.000 0.000 0.215 394 G HA3 -0.250 3.710 3.960 0.000 0.000 0.215 394 G C 1.670 175.800 174.900 -1.284 0.000 1.174 394 G CA 0.726 44.898 45.100 -1.548 0.000 0.780 394 G HN 0.259 nan 8.290 nan 0.000 0.537 395 I N 1.763 121.587 120.570 -1.243 0.000 2.423 395 I HA -0.149 4.022 4.170 0.000 0.000 0.254 395 I C 1.946 177.841 176.117 -0.370 0.000 1.151 395 I CA 0.747 61.688 61.300 -0.599 0.000 1.421 395 I CB -0.241 37.562 38.000 -0.330 0.000 1.079 395 I HN 0.040 nan 8.210 nan 0.000 0.431 396 N N 0.232 118.709 118.700 -0.372 0.000 2.364 396 N HA -0.194 4.546 4.740 0.000 0.000 0.183 396 N C 1.526 176.894 175.510 -0.237 0.000 1.022 396 N CA 0.922 53.801 53.050 -0.284 0.000 0.883 396 N CB -0.144 38.211 38.487 -0.219 0.000 0.965 396 N HN 0.492 nan 8.380 nan 0.000 0.438 397 Q N -0.569 119.117 119.800 -0.190 0.000 2.356 397 Q HA 0.177 4.517 4.340 0.000 0.000 0.205 397 Q C -0.127 175.826 176.000 -0.079 0.000 0.901 397 Q CA 0.206 55.943 55.803 -0.109 0.000 0.938 397 Q CB 0.362 29.085 28.738 -0.025 0.000 1.081 397 Q HN 0.095 nan 8.270 nan 0.000 0.517 398 T N 1.520 116.028 114.554 -0.077 0.000 2.814 398 T HA 0.086 4.436 4.350 0.000 0.000 0.297 398 T C -0.258 174.406 174.700 -0.061 0.000 0.956 398 T CA -0.258 61.869 62.100 0.044 0.000 1.123 398 T CB 0.260 69.241 68.868 0.188 0.000 0.902 398 T HN 0.187 nan 8.240 nan 0.000 0.528 399 H N 3.309 122.392 119.070 0.022 0.000 2.955 399 H HA 0.078 4.634 4.556 0.000 0.000 0.290 399 H C -0.203 175.261 175.328 0.227 0.000 1.047 399 H CA 0.062 56.139 56.048 0.048 0.000 1.484 399 H CB 0.153 29.927 29.762 0.019 0.000 1.501 399 H HN 0.351 nan 8.280 nan 0.000 0.521 400 F N 4.647 124.622 119.950 0.041 0.000 2.396 400 F HA 0.217 4.744 4.527 0.000 0.000 0.343 400 F C -1.570 174.227 175.800 -0.004 0.000 1.104 400 F CA -3.354 54.651 58.000 0.008 0.000 1.161 400 F CB 0.427 39.397 39.000 -0.050 0.000 1.146 400 F HN 0.379 nan 8.300 nan 0.000 0.522 401 P HA 0.009 nan 4.420 nan 0.000 0.271 401 P C -0.275 177.052 177.300 0.045 0.000 1.233 401 P CA -0.285 62.858 63.100 0.071 0.000 0.789 401 P CB 0.459 32.170 31.700 0.018 0.000 0.951 402 N N 1.513 120.222 118.700 0.015 0.000 2.374 402 N HA -0.073 4.667 4.740 0.000 0.000 0.241 402 N C 0.652 176.159 175.510 -0.005 0.000 1.262 402 N CA 0.560 53.610 53.050 -0.001 0.000 0.880 402 N CB -0.893 37.590 38.487 -0.006 0.000 1.105 402 N HN 0.494 nan 8.380 nan 0.000 0.438 403 N N -0.812 117.887 118.700 -0.001 0.000 2.738 403 N HA -0.193 4.547 4.740 0.000 0.000 0.249 403 N C -1.375 174.132 175.510 -0.005 0.000 1.047 403 N CA 0.742 53.795 53.050 0.005 0.000 0.707 403 N CB -1.061 37.425 38.487 -0.002 0.000 0.937 403 N HN 0.479 nan 8.380 nan 0.000 0.545 404 T N 1.527 116.070 114.554 -0.018 0.000 2.767 404 T HA 0.225 4.575 4.350 0.000 0.000 0.284 404 T C -0.492 174.179 174.700 -0.048 0.000 0.973 404 T CA -0.283 61.753 62.100 -0.107 0.000 0.996 404 T CB 0.703 69.391 68.868 -0.299 0.000 0.927 404 T HN 0.228 nan 8.240 nan 0.000 0.456 405 Y N 2.725 122.945 120.300 -0.132 0.000 2.404 405 Y HA 0.533 5.083 4.550 0.000 0.000 0.344 405 Y C 0.562 176.426 175.900 -0.061 0.000 0.970 405 Y CA -0.607 57.455 58.100 -0.064 0.000 1.180 405 Y CB 0.407 38.840 38.460 -0.046 0.000 1.138 405 Y HN 0.761 nan 8.280 nan 0.000 0.510 406 G N 6.386 114.954 108.800 -0.386 0.000 2.377 406 G HA2 0.528 4.488 3.960 0.000 0.000 0.299 406 G HA3 0.528 4.488 3.960 0.000 0.000 0.299 406 G C -1.114 173.657 174.900 -0.215 0.000 1.150 406 G CA -0.685 44.323 45.100 -0.154 0.000 0.847 406 G HN 0.707 nan 8.290 nan 0.000 0.501 407 I N 1.406 121.998 120.570 0.037 0.000 2.448 407 I HA 0.311 4.481 4.170 0.000 0.000 0.281 407 I C -0.124 176.085 176.117 0.153 0.000 1.027 407 I CA -0.338 61.042 61.300 0.134 0.000 1.111 407 I CB 1.986 40.136 38.000 0.250 0.000 1.236 407 I HN 0.394 nan 8.210 nan 0.000 0.452 408 S N 5.377 121.136 115.700 0.097 0.000 2.789 408 S HA 0.196 4.666 4.470 0.000 0.000 0.286 408 S C -0.365 174.242 174.600 0.012 0.000 1.153 408 S CA -0.485 57.754 58.200 0.064 0.000 1.084 408 S CB 1.117 64.311 63.200 -0.010 0.000 1.036 408 S HN 0.653 nan 8.310 nan 0.000 0.484 409 Q N 4.934 124.735 119.800 0.000 0.000 3.184 409 Q HA 0.201 4.541 4.340 0.000 0.000 0.288 409 Q C 0.493 176.428 176.000 -0.108 0.000 1.412 409 Q CA -0.163 55.543 55.803 -0.161 0.000 0.991 409 Q CB -0.143 28.269 28.738 -0.543 0.000 1.688 409 Q HN 0.700 nan 8.270 nan 0.000 0.554 410 V N 2.178 122.048 119.914 -0.073 0.000 2.667 410 V HA -0.226 3.894 4.120 0.000 0.000 0.252 410 V C 1.834 177.913 176.094 -0.025 0.000 1.065 410 V CA 1.210 63.491 62.300 -0.032 0.000 1.083 410 V CB -0.343 31.488 31.823 0.013 0.000 0.692 410 V HN 0.641 nan 8.190 nan 0.000 0.468 411 L N -1.033 120.122 121.223 -0.113 0.000 2.049 411 L HA -0.071 4.269 4.340 0.000 0.000 0.203 411 L C 2.268 179.113 176.870 -0.043 0.000 1.074 411 L CA 1.728 56.428 54.840 -0.233 0.000 0.749 411 L CB -0.246 41.612 42.059 -0.334 0.000 0.907 411 L HN 0.470 nan 8.230 nan 0.000 0.439 412 W N 0.859 122.042 121.300 -0.196 0.000 2.443 412 W HA 0.034 4.695 4.660 0.001 0.000 0.296 412 W C 1.134 177.578 176.519 -0.125 0.000 1.202 412 W CA 0.957 58.214 57.345 -0.147 0.000 1.312 412 W CB 0.014 29.383 29.460 -0.152 0.000 1.120 412 W HN 0.418 nan 8.180 nan 0.000 0.536 413 G N 2.000 110.733 108.800 -0.112 0.000 2.314 413 G HA2 -0.283 3.677 3.960 0.000 0.000 0.292 413 G HA3 -0.283 3.677 3.960 0.000 0.000 0.292 413 G C -0.202 174.561 174.900 -0.229 0.000 1.059 413 G CA 0.584 45.584 45.100 -0.167 0.000 0.982 413 G HN 0.279 nan 8.290 nan 0.000 0.505 414 S N 0.022 115.618 115.700 -0.173 0.000 2.404 414 S HA 0.597 5.067 4.470 0.000 0.000 0.309 414 S C 1.033 175.621 174.600 -0.019 0.000 1.076 414 S CA -0.483 57.661 58.200 -0.093 0.000 1.095 414 S CB -0.125 63.153 63.200 0.129 0.000 0.972 414 S HN 1.165 nan 8.310 nan 0.000 0.484 415 I N 2.790 123.343 120.570 -0.028 0.000 2.813 415 I HA 0.574 4.745 4.170 0.000 0.000 0.287 415 I C 1.357 177.498 176.117 0.040 0.000 1.196 415 I CA 0.603 61.904 61.300 0.002 0.000 1.421 415 I CB 0.073 38.049 38.000 -0.039 0.000 1.365 415 I HN 0.786 nan 8.210 nan 0.000 0.591 416 G N 4.357 113.183 108.800 0.044 0.000 2.308 416 G HA2 -0.369 3.591 3.960 0.000 0.000 0.221 416 G HA3 -0.369 3.591 3.960 0.000 0.000 0.221 416 G C 0.584 175.398 174.900 -0.142 0.000 1.032 416 G CA 0.512 45.647 45.100 0.059 0.000 0.623 416 G HN 0.908 nan 8.290 nan 0.000 0.506 417 F N 3.238 122.799 119.950 -0.648 0.000 2.111 417 F HA -0.181 4.346 4.527 0.000 0.000 0.300 417 F C 2.793 178.309 175.800 -0.474 0.000 1.088 417 F CA 3.484 60.751 58.000 -1.222 0.000 1.243 417 F CB -0.611 37.968 39.000 -0.701 0.000 0.996 417 F HN 0.464 nan 8.300 nan 0.000 0.483 418 T N -3.477 110.892 114.554 -0.308 0.000 2.995 418 T HA -0.100 4.250 4.350 0.000 0.000 0.269 418 T C 1.800 176.367 174.700 -0.221 0.000 1.091 418 T CA 1.399 63.313 62.100 -0.310 0.000 1.128 418 T CB -1.072 67.785 68.868 -0.017 0.000 0.891 418 T HN 0.339 nan 8.240 nan 0.000 0.492 419 T N 1.587 116.075 114.554 -0.109 0.000 2.708 419 T HA 0.056 4.406 4.350 0.000 0.000 0.266 419 T C 2.295 176.960 174.700 -0.058 0.000 1.037 419 T CA 1.340 63.425 62.100 -0.024 0.000 1.146 419 T CB -0.983 67.925 68.868 0.068 0.000 0.865 419 T HN 0.594 nan 8.240 nan 0.000 0.435 420 G N 1.007 109.769 108.800 -0.063 0.000 2.394 420 G HA2 0.069 4.029 3.960 0.000 0.000 0.215 420 G HA3 0.069 4.029 3.960 0.000 0.000 0.215 420 G C 1.869 176.649 174.900 -0.200 0.000 1.165 420 G CA 0.735 45.809 45.100 -0.043 0.000 0.784 420 G HN 0.566 nan 8.290 nan 0.000 0.535 421 A N 0.457 123.003 122.820 -0.456 0.000 1.940 421 A HA -0.044 4.276 4.320 0.000 0.000 0.219 421 A C 2.503 179.950 177.584 -0.228 0.000 1.176 421 A CA 2.475 54.212 52.037 -0.501 0.000 0.631 421 A CB -1.018 17.329 19.000 -1.088 0.000 0.814 421 A HN 0.290 nan 8.150 nan 0.000 0.446 422 T N 0.126 114.574 114.554 -0.177 0.000 2.684 422 T HA -0.184 4.166 4.350 0.000 0.000 0.267 422 T C 1.827 176.497 174.700 -0.050 0.000 1.036 422 T CA 1.604 63.661 62.100 -0.071 0.000 1.148 422 T CB -0.440 68.403 68.868 -0.040 0.000 0.863 422 T HN 0.373 nan 8.240 nan 0.000 0.436 423 L N 1.220 122.411 121.223 -0.053 0.000 2.013 423 L HA -0.025 4.315 4.340 0.000 0.000 0.212 423 L C 2.556 179.482 176.870 0.092 0.000 1.073 423 L CA 2.282 57.108 54.840 -0.024 0.000 0.753 423 L CB -1.127 40.954 42.059 0.036 0.000 0.890 423 L HN 0.296 nan 8.230 nan 0.000 0.432 424 G N -1.443 107.396 108.800 0.065 0.000 2.404 424 G HA2 -0.208 3.752 3.960 0.000 0.000 0.215 424 G HA3 -0.208 3.752 3.960 0.000 0.000 0.215 424 G C 1.606 176.677 174.900 0.286 0.000 1.174 424 G CA 0.754 45.969 45.100 0.192 0.000 0.780 424 G HN 0.656 nan 8.290 nan 0.000 0.537 425 A N 1.153 124.030 122.820 0.095 0.000 1.940 425 A HA 0.213 4.533 4.320 0.000 0.000 0.219 425 A C 2.782 180.395 177.584 0.050 0.000 1.176 425 A CA 2.353 54.416 52.037 0.044 0.000 0.631 425 A CB -0.712 18.300 19.000 0.020 0.000 0.814 425 A HN 0.768 nan 8.150 nan 0.000 0.446 426 A N -1.244 121.598 122.820 0.038 0.000 1.898 426 A HA 0.092 4.413 4.320 0.000 0.000 0.216 426 A C 1.915 179.510 177.584 0.019 0.000 1.181 426 A CA 1.363 53.389 52.037 -0.020 0.000 0.620 426 A CB -0.690 18.244 19.000 -0.111 0.000 0.819 426 A HN 0.417 nan 8.150 nan 0.000 0.442 427 F N 0.409 120.422 119.950 0.105 0.000 2.069 427 F HA -0.166 4.362 4.527 0.001 0.000 0.298 427 F C 2.863 178.736 175.800 0.122 0.000 1.113 427 F CA 1.208 59.279 58.000 0.118 0.000 1.214 427 F CB -0.839 38.281 39.000 0.200 0.000 0.978 427 F HN 0.258 nan 8.300 nan 0.000 0.474 428 A N -0.089 122.905 122.820 0.289 0.000 1.883 428 A HA -0.116 4.204 4.320 0.000 0.000 0.217 428 A C 2.417 179.963 177.584 -0.064 0.000 1.186 428 A CA 2.070 54.037 52.037 -0.116 0.000 0.624 428 A CB -1.444 17.282 19.000 -0.455 0.000 0.822 428 A HN 0.335 nan 8.150 nan 0.000 0.444 429 A N -0.362 122.440 122.820 -0.031 0.000 1.908 429 A HA -0.218 4.102 4.320 0.000 0.000 0.218 429 A C 2.048 179.627 177.584 -0.008 0.000 1.181 429 A CA 1.929 53.944 52.037 -0.036 0.000 0.627 429 A CB -0.606 18.381 19.000 -0.022 0.000 0.818 429 A HN 0.720 nan 8.150 nan 0.000 0.445 430 E N -0.021 120.195 120.200 0.026 0.000 2.085 430 E HA -0.256 4.094 4.350 0.000 0.000 0.194 430 E C 1.816 178.439 176.600 0.038 0.000 0.994 430 E CA 1.568 57.991 56.400 0.039 0.000 0.801 430 E CB -0.170 29.570 29.700 0.066 0.000 0.743 430 E HN 0.761 nan 8.360 nan 0.000 0.453 431 E N 0.095 120.322 120.200 0.045 0.000 2.150 431 E HA -0.134 4.216 4.350 0.000 0.000 0.193 431 E C 2.112 178.709 176.600 -0.005 0.000 0.985 431 E CA 1.047 57.464 56.400 0.028 0.000 0.814 431 E CB 0.031 29.755 29.700 0.041 0.000 0.752 431 E HN 0.392 nan 8.360 nan 0.000 0.466 432 I N 0.287 120.839 120.570 -0.029 0.000 2.235 432 I HA -0.091 4.080 4.170 0.000 0.000 0.241 432 I C 0.602 176.704 176.117 -0.025 0.000 1.085 432 I CA 0.687 61.962 61.300 -0.042 0.000 1.378 432 I CB 0.437 38.393 38.000 -0.074 0.000 1.076 432 I HN -0.013 nan 8.210 nan 0.000 0.415 433 D N -0.802 119.587 120.400 -0.020 0.000 2.591 433 D HA 0.169 4.809 4.640 0.000 0.000 0.222 433 D C -2.279 174.017 176.300 -0.005 0.000 1.360 433 D CA -1.594 52.399 54.000 -0.013 0.000 0.967 433 D CB 1.627 42.415 40.800 -0.019 0.000 1.456 433 D HN -0.207 nan 8.370 nan 0.000 0.588 434 P HA -0.047 nan 4.420 nan 0.000 0.231 434 P C 0.848 178.151 177.300 0.004 0.000 1.158 434 P CA 0.598 63.702 63.100 0.008 0.000 0.763 434 P CB 0.367 32.076 31.700 0.014 0.000 0.805 435 K N -0.741 119.658 120.400 -0.002 0.000 2.367 435 K HA 0.066 4.386 4.320 0.000 0.000 0.194 435 K C 0.742 177.338 176.600 -0.007 0.000 1.027 435 K CA -0.001 56.283 56.287 -0.004 0.000 1.075 435 K CB 0.027 32.522 32.500 -0.008 0.000 0.845 435 K HN 0.203 nan 8.250 nan 0.000 0.529 436 K N 2.146 122.541 120.400 -0.009 0.000 2.383 436 K HA 0.047 4.367 4.320 0.000 0.000 0.286 436 K C -0.369 176.235 176.600 0.007 0.000 1.051 436 K CA 0.008 56.286 56.287 -0.014 0.000 0.974 436 K CB 0.459 32.946 32.500 -0.022 0.000 0.968 436 K HN -0.049 nan 8.250 nan 0.000 0.475 437 R N 2.230 122.734 120.500 0.007 0.000 2.459 437 R HA 0.281 4.622 4.340 0.000 0.000 0.281 437 R C -0.650 175.687 176.300 0.062 0.000 1.050 437 R CA -0.796 55.345 56.100 0.068 0.000 1.055 437 R CB 1.311 31.634 30.300 0.038 0.000 1.045 437 R HN 0.260 nan 8.270 nan 0.000 0.495 438 V N 4.744 124.735 119.914 0.129 0.000 2.378 438 V HA 0.371 4.491 4.120 0.000 0.000 0.288 438 V C -0.196 176.003 176.094 0.175 0.000 1.016 438 V CA -0.547 61.816 62.300 0.105 0.000 0.840 438 V CB 1.342 33.201 31.823 0.061 0.000 0.994 438 V HN 0.589 nan 8.190 nan 0.000 0.431 439 I N 6.118 126.763 120.570 0.125 0.000 2.382 439 I HA 0.429 4.599 4.170 0.000 0.000 0.286 439 I C -0.726 175.414 176.117 0.038 0.000 1.002 439 I CA -0.584 60.794 61.300 0.130 0.000 1.135 439 I CB 1.769 39.836 38.000 0.112 0.000 1.288 439 I HN 0.414 nan 8.210 nan 0.000 0.448 440 L N 7.428 128.666 121.223 0.025 0.000 2.295 440 L HA 0.589 4.929 4.340 0.000 0.000 0.285 440 L C -1.410 175.396 176.870 -0.106 0.000 1.035 440 L CA 0.110 54.966 54.840 0.026 0.000 0.806 440 L CB 0.854 42.958 42.059 0.075 0.000 1.214 440 L HN 0.252 nan 8.230 nan 0.000 0.426 441 F N 6.708 126.855 119.950 0.329 0.000 2.347 441 F HA 0.539 5.066 4.527 0.000 0.000 0.366 441 F C 0.027 175.998 175.800 0.284 0.000 1.107 441 F CA -0.344 57.877 58.000 0.369 0.000 1.058 441 F CB 1.084 40.361 39.000 0.462 0.000 1.236 441 F HN 0.337 nan 8.300 nan 0.000 0.456 442 I N 1.923 122.726 120.570 0.389 0.000 2.582 442 I HA 0.664 4.834 4.170 0.000 0.000 0.292 442 I C 0.263 176.530 176.117 0.250 0.000 1.066 442 I CA -0.613 60.849 61.300 0.269 0.000 1.053 442 I CB 1.581 39.692 38.000 0.186 0.000 1.241 442 I HN 0.601 nan 8.210 nan 0.000 0.421 443 G N 4.116 113.049 108.800 0.222 0.000 2.491 443 G HA2 0.032 3.992 3.960 0.000 0.000 0.242 443 G HA3 0.032 3.992 3.960 0.000 0.000 0.242 443 G C 0.767 175.747 174.900 0.134 0.000 1.266 443 G CA 0.175 45.389 45.100 0.190 0.000 0.844 443 G HN 0.845 nan 8.290 nan 0.000 0.571 444 D N 1.231 121.688 120.400 0.096 0.000 2.172 444 D HA -0.157 4.483 4.640 0.000 0.000 0.196 444 D C 2.084 178.427 176.300 0.070 0.000 0.999 444 D CA 1.776 55.817 54.000 0.069 0.000 0.856 444 D CB -0.825 40.036 40.800 0.100 0.000 0.934 444 D HN 0.468 nan 8.370 nan 0.000 0.453 445 G N -0.118 108.774 108.800 0.155 0.000 2.404 445 G HA2 -0.174 3.786 3.960 0.000 0.000 0.213 445 G HA3 -0.174 3.786 3.960 0.000 0.000 0.213 445 G C 1.863 176.903 174.900 0.233 0.000 1.189 445 G CA 0.887 46.165 45.100 0.296 0.000 0.796 445 G HN 0.354 nan 8.290 nan 0.000 0.532 446 S N 0.383 116.187 115.700 0.172 0.000 2.374 446 S HA -0.066 4.404 4.470 0.000 0.000 0.227 446 S C 2.188 176.864 174.600 0.126 0.000 1.037 446 S CA 0.790 59.059 58.200 0.116 0.000 1.024 446 S CB -0.331 62.932 63.200 0.105 0.000 0.861 446 S HN 0.283 nan 8.310 nan 0.000 0.456 447 L N 1.555 122.857 121.223 0.132 0.000 2.079 447 L HA -0.223 4.118 4.340 0.000 0.000 0.210 447 L C 2.542 179.540 176.870 0.214 0.000 1.081 447 L CA 1.396 56.342 54.840 0.177 0.000 0.752 447 L CB -0.486 41.696 42.059 0.205 0.000 0.896 447 L HN 0.462 nan 8.230 nan 0.000 0.433 448 Q N -0.637 119.202 119.800 0.066 0.000 2.135 448 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 448 Q C 2.097 178.260 176.000 0.272 0.000 0.981 448 Q CA 1.276 57.102 55.803 0.038 0.000 0.856 448 Q CB -0.199 28.336 28.738 -0.338 0.000 0.902 448 Q HN 0.418 nan 8.270 nan 0.000 0.425 449 L N -0.040 121.307 121.223 0.208 0.000 2.141 449 L HA -0.094 4.246 4.340 0.000 0.000 0.209 449 L C 1.953 178.967 176.870 0.240 0.000 1.094 449 L CA 1.799 56.769 54.840 0.216 0.000 0.763 449 L CB -0.222 41.950 42.059 0.189 0.000 0.908 449 L HN 0.327 nan 8.230 nan 0.000 0.437 450 T N -6.512 108.190 114.554 0.246 0.000 3.275 450 T HA 0.121 4.471 4.350 0.000 0.000 0.298 450 T C 1.278 176.103 174.700 0.208 0.000 0.988 450 T CA 0.253 62.490 62.100 0.228 0.000 0.936 450 T CB -0.273 68.746 68.868 0.252 0.000 1.159 450 T HN -0.102 nan 8.240 nan 0.000 0.519 451 V N 2.621 122.708 119.914 0.289 0.000 2.568 451 V HA -0.230 3.890 4.120 0.000 0.000 0.253 451 V C 2.674 178.889 176.094 0.201 0.000 1.072 451 V CA 2.532 65.042 62.300 0.349 0.000 1.084 451 V CB -0.430 31.752 31.823 0.597 0.000 0.676 451 V HN 0.742 nan 8.190 nan 0.000 0.469 452 Q N -0.737 119.081 119.800 0.029 0.000 2.364 452 Q HA -0.224 4.116 4.340 0.000 0.000 0.207 452 Q C 1.732 177.540 176.000 -0.319 0.000 0.970 452 Q CA 1.665 57.252 55.803 -0.360 0.000 0.888 452 Q CB -0.418 28.178 28.738 -0.236 0.000 0.951 452 Q HN 0.606 nan 8.270 nan 0.000 0.469 453 E N 1.220 121.366 120.200 -0.090 0.000 2.347 453 E HA 0.057 4.407 4.350 0.000 0.000 0.196 453 E C 1.729 178.302 176.600 -0.046 0.000 1.008 453 E CA 0.264 56.636 56.400 -0.047 0.000 0.852 453 E CB -0.296 29.418 29.700 0.022 0.000 0.783 453 E HN 0.469 nan 8.360 nan 0.000 0.505 454 I N -0.190 120.362 120.570 -0.031 0.000 2.335 454 I HA -0.303 3.867 4.170 0.000 0.000 0.251 454 I C 2.341 178.447 176.117 -0.018 0.000 1.129 454 I CA 1.209 62.533 61.300 0.039 0.000 1.402 454 I CB -0.304 37.825 38.000 0.216 0.000 1.069 454 I HN 0.119 nan 8.210 nan 0.000 0.424 455 S N 0.332 115.893 115.700 -0.233 0.000 2.370 455 S HA -0.209 4.261 4.470 0.000 0.000 0.226 455 S C 2.061 176.628 174.600 -0.055 0.000 1.033 455 S CA 2.321 60.396 58.200 -0.209 0.000 1.011 455 S CB -0.396 62.517 63.200 -0.479 0.000 0.852 455 S HN 0.470 nan 8.310 nan 0.000 0.457 456 T N 2.397 116.939 114.554 -0.021 0.000 2.867 456 T HA 0.001 4.351 4.350 0.000 0.000 0.268 456 T C 1.833 176.617 174.700 0.140 0.000 1.057 456 T CA 1.559 63.728 62.100 0.114 0.000 1.136 456 T CB -0.330 68.633 68.868 0.158 0.000 0.874 456 T HN 0.427 nan 8.240 nan 0.000 0.466 457 M N 0.548 120.167 119.600 0.032 0.000 2.065 457 M HA -0.035 4.445 4.480 0.000 0.000 0.259 457 M C 2.243 178.550 176.300 0.012 0.000 1.069 457 M CA 1.784 57.067 55.300 -0.029 0.000 1.110 457 M CB -0.722 31.854 32.600 -0.040 0.000 1.328 457 M HN 0.194 nan 8.290 nan 0.000 0.405 458 I N -0.571 120.011 120.570 0.021 0.000 2.163 458 I HA -0.318 3.852 4.170 0.000 0.000 0.243 458 I C 2.757 178.880 176.117 0.010 0.000 1.085 458 I CA 1.337 62.649 61.300 0.019 0.000 1.347 458 I CB -0.607 37.410 38.000 0.028 0.000 1.044 458 I HN 0.313 nan 8.210 nan 0.000 0.408 459 R N 0.239 120.743 120.500 0.006 0.000 2.117 459 R HA -0.208 4.133 4.340 0.000 0.000 0.243 459 R C 1.521 177.703 176.300 -0.196 0.000 1.143 459 R CA 1.884 57.926 56.100 -0.096 0.000 0.968 459 R CB -0.209 30.033 30.300 -0.097 0.000 0.863 459 R HN 0.409 nan 8.270 nan 0.000 0.444 460 W N -0.236 121.068 121.300 0.005 0.000 3.330 460 W HA 0.267 4.927 4.660 0.000 0.000 0.348 460 W C 0.840 177.342 176.519 -0.029 0.000 1.205 460 W CA 0.375 57.734 57.345 0.024 0.000 1.841 460 W CB 0.516 30.010 29.460 0.056 0.000 1.084 460 W HN 0.315 nan 8.180 nan 0.000 0.665 461 G N 1.682 110.545 108.800 0.105 0.000 2.305 461 G HA2 -0.323 3.637 3.960 0.000 0.000 0.287 461 G HA3 -0.323 3.637 3.960 0.000 0.000 0.287 461 G C 0.000 174.918 174.900 0.029 0.000 1.036 461 G CA -0.090 45.043 45.100 0.055 0.000 0.887 461 G HN 0.218 nan 8.290 nan 0.000 0.505 462 L N -1.227 119.988 121.223 -0.013 0.000 2.418 462 L HA 0.484 4.824 4.340 0.000 0.000 0.265 462 L C 1.029 177.851 176.870 -0.080 0.000 1.143 462 L CA -0.304 54.486 54.840 -0.083 0.000 0.809 462 L CB 1.072 43.005 42.059 -0.210 0.000 1.124 462 L HN 0.104 nan 8.230 nan 0.000 0.456 463 K N 2.203 122.549 120.400 -0.090 0.000 3.237 463 K HA 0.276 4.596 4.320 0.000 0.000 0.197 463 K C -2.450 174.044 176.600 -0.177 0.000 1.133 463 K CA -1.306 54.900 56.287 -0.136 0.000 0.944 463 K CB 0.425 32.847 32.500 -0.130 0.000 0.952 463 K HN 0.332 nan 8.250 nan 0.000 0.515 464 P HA -0.000 nan 4.420 nan 0.000 0.274 464 P C -0.846 176.360 177.300 -0.158 0.000 1.256 464 P CA -0.190 62.885 63.100 -0.043 0.000 0.795 464 P CB 0.560 32.253 31.700 -0.012 0.000 1.038 465 Y N 0.107 120.361 120.300 -0.078 0.000 2.353 465 Y HA 0.344 4.894 4.550 0.000 0.000 0.340 465 Y C 0.469 176.274 175.900 -0.158 0.000 0.972 465 Y CA -0.360 57.640 58.100 -0.167 0.000 1.157 465 Y CB 0.663 39.067 38.460 -0.093 0.000 1.157 465 Y HN 0.022 nan 8.280 nan 0.000 0.495 466 L N 5.487 126.644 121.223 -0.109 0.000 2.297 466 L HA 0.408 4.748 4.340 0.000 0.000 0.277 466 L C -1.079 175.731 176.870 -0.099 0.000 1.040 466 L CA -0.390 54.424 54.840 -0.042 0.000 0.867 466 L CB 0.010 42.063 42.059 -0.011 0.000 1.244 466 L HN 0.466 nan 8.230 nan 0.000 0.433 467 F N 2.396 122.325 119.950 -0.034 0.000 2.424 467 F HA 0.337 4.864 4.527 0.000 0.000 0.356 467 F C 0.367 176.233 175.800 0.111 0.000 1.110 467 F CA -0.503 57.519 58.000 0.037 0.000 1.161 467 F CB 1.394 40.412 39.000 0.030 0.000 1.115 467 F HN 0.048 nan 8.300 nan 0.000 0.507 468 V N 5.591 125.636 119.914 0.218 0.000 2.357 468 V HA 0.243 4.363 4.120 0.000 0.000 0.284 468 V C 0.051 176.221 176.094 0.128 0.000 1.018 468 V CA -0.821 61.539 62.300 0.100 0.000 0.841 468 V CB 1.438 33.176 31.823 -0.141 0.000 0.991 468 V HN 0.504 nan 8.190 nan 0.000 0.437 469 L N 4.804 126.143 121.223 0.193 0.000 2.363 469 L HA 0.312 4.652 4.340 0.000 0.000 0.286 469 L C 0.536 177.478 176.870 0.120 0.000 1.106 469 L CA -0.028 54.929 54.840 0.195 0.000 0.859 469 L CB 0.102 42.319 42.059 0.265 0.000 1.223 469 L HN 0.589 nan 8.230 nan 0.000 0.446 470 N N 4.085 122.843 118.700 0.097 0.000 2.482 470 N HA 0.028 4.769 4.740 0.000 0.000 0.242 470 N C 0.117 175.690 175.510 0.105 0.000 1.100 470 N CA -0.178 52.934 53.050 0.103 0.000 0.946 470 N CB 0.439 39.007 38.487 0.135 0.000 1.227 470 N HN 0.539 nan 8.380 nan 0.000 0.508 471 N N 1.817 120.577 118.700 0.100 0.000 2.351 471 N HA 0.105 4.846 4.740 0.000 0.000 0.254 471 N C -0.530 175.015 175.510 0.058 0.000 1.241 471 N CA -0.466 52.634 53.050 0.083 0.000 0.883 471 N CB 0.069 38.615 38.487 0.099 0.000 1.202 471 N HN 0.306 nan 8.380 nan 0.000 0.512 472 D N -0.866 119.563 120.400 0.049 0.000 2.716 472 D HA -0.056 4.584 4.640 0.000 0.000 0.239 472 D C 0.553 176.831 176.300 -0.036 0.000 1.125 472 D CA 1.867 55.873 54.000 0.009 0.000 0.681 472 D CB -1.181 39.624 40.800 0.007 0.000 1.070 472 D HN 0.900 nan 8.370 nan 0.000 0.432 473 G N -0.719 108.054 108.800 -0.046 0.000 2.297 473 G HA2 -0.013 3.948 3.960 0.000 0.000 0.209 473 G HA3 -0.013 3.948 3.960 0.000 0.000 0.209 473 G C -1.199 173.722 174.900 0.034 0.000 1.267 473 G CA -0.393 44.620 45.100 -0.146 0.000 1.127 473 G HN 0.246 nan 8.290 nan 0.000 0.498 474 Y N 2.153 122.480 120.300 0.046 0.000 2.821 474 Y HA 0.496 5.046 4.550 0.000 0.000 0.331 474 Y C 2.102 178.046 175.900 0.073 0.000 1.251 474 Y CA -0.061 58.080 58.100 0.067 0.000 1.494 474 Y CB 0.191 38.701 38.460 0.083 0.000 1.493 474 Y HN 0.484 nan 8.280 nan 0.000 0.496 475 T N 1.370 116.052 114.554 0.214 0.000 2.746 475 T HA -0.198 4.153 4.350 0.000 0.000 0.267 475 T C 2.163 176.947 174.700 0.140 0.000 1.039 475 T CA 1.396 63.585 62.100 0.149 0.000 1.142 475 T CB -0.134 68.812 68.868 0.130 0.000 0.866 475 T HN 0.663 nan 8.240 nan 0.000 0.444 476 I N 1.030 121.693 120.570 0.156 0.000 2.208 476 I HA -0.203 3.967 4.170 0.000 0.000 0.245 476 I C 2.443 178.630 176.117 0.115 0.000 1.097 476 I CA 1.595 62.972 61.300 0.128 0.000 1.363 476 I CB -0.047 38.050 38.000 0.161 0.000 1.051 476 I HN 0.157 nan 8.210 nan 0.000 0.413 477 E N 0.746 121.035 120.200 0.149 0.000 2.047 477 E HA -0.217 4.133 4.350 0.000 0.000 0.191 477 E C 2.288 178.990 176.600 0.170 0.000 0.987 477 E CA 1.100 57.601 56.400 0.168 0.000 0.799 477 E CB -0.333 29.503 29.700 0.227 0.000 0.752 477 E HN 0.577 nan 8.360 nan 0.000 0.449 478 R N 0.607 121.197 120.500 0.150 0.000 2.119 478 R HA -0.138 4.202 4.340 0.000 0.000 0.246 478 R C 2.618 178.954 176.300 0.060 0.000 1.146 478 R CA 1.210 57.362 56.100 0.086 0.000 0.962 478 R CB -0.586 29.747 30.300 0.055 0.000 0.863 478 R HN 0.169 nan 8.270 nan 0.000 0.442 479 L N 0.231 121.490 121.223 0.060 0.000 2.191 479 L HA -0.155 4.185 4.340 0.000 0.000 0.212 479 L C 2.250 179.146 176.870 0.043 0.000 1.103 479 L CA 1.039 55.900 54.840 0.035 0.000 0.769 479 L CB -0.250 41.821 42.059 0.020 0.000 0.908 479 L HN 0.207 nan 8.230 nan 0.000 0.438 480 I N -2.197 118.418 120.570 0.075 0.000 2.296 480 I HA -0.087 4.083 4.170 0.000 0.000 0.242 480 I C 0.642 176.865 176.117 0.177 0.000 1.087 480 I CA 0.599 61.958 61.300 0.097 0.000 1.393 480 I CB 0.196 38.251 38.000 0.091 0.000 1.093 480 I HN 0.208 nan 8.210 nan 0.000 0.421 481 H N -0.800 118.315 119.070 0.076 0.000 3.140 481 H HA 0.433 4.989 4.556 0.000 0.000 0.336 481 H C -0.177 175.241 175.328 0.151 0.000 1.142 481 H CA -0.257 55.852 56.048 0.100 0.000 1.308 481 H CB 1.338 31.162 29.762 0.104 0.000 1.970 481 H HN 0.200 nan 8.280 nan 0.000 0.521 482 G N 3.609 112.192 108.800 -0.362 0.000 2.341 482 G HA2 -0.278 3.682 3.960 0.000 0.000 0.278 482 G HA3 -0.278 3.682 3.960 0.000 0.000 0.278 482 G C 0.869 175.671 174.900 -0.164 0.000 1.111 482 G CA 0.612 45.569 45.100 -0.239 0.000 0.982 482 G HN 0.826 nan 8.290 nan 0.000 0.502 483 E N -0.308 119.812 120.200 -0.133 0.000 2.130 483 E HA -0.185 4.165 4.350 0.000 0.000 0.196 483 E C 2.121 178.664 176.600 -0.095 0.000 0.998 483 E CA 2.077 58.430 56.400 -0.078 0.000 0.806 483 E CB -0.015 29.647 29.700 -0.063 0.000 0.738 483 E HN 0.868 nan 8.360 nan 0.000 0.459 484 T N -2.595 111.878 114.554 -0.135 0.000 3.200 484 T HA 0.581 4.931 4.350 0.000 0.000 0.284 484 T C 0.099 174.679 174.700 -0.200 0.000 1.009 484 T CA -0.093 61.926 62.100 -0.134 0.000 0.907 484 T CB 0.794 69.603 68.868 -0.098 0.000 1.120 484 T HN 0.274 nan 8.240 nan 0.000 0.534 485 A N 1.729 124.352 122.820 -0.330 0.000 2.462 485 A HA 0.343 4.663 4.320 0.000 0.000 0.243 485 A C 1.655 178.959 177.584 -0.466 0.000 1.076 485 A CA -0.401 51.316 52.037 -0.534 0.000 0.773 485 A CB 0.396 18.696 19.000 -1.166 0.000 1.010 485 A HN 0.375 nan 8.150 nan 0.000 0.493 486 Q N 1.562 121.173 119.800 -0.314 0.000 2.226 486 Q HA -0.224 4.117 4.340 0.000 0.000 0.204 486 Q C 1.356 177.293 176.000 -0.105 0.000 0.975 486 Q CA 2.515 58.222 55.803 -0.160 0.000 0.866 486 Q CB -0.311 28.389 28.738 -0.064 0.000 0.915 486 Q HN 1.022 nan 8.270 nan 0.000 0.440 487 Y N -0.871 119.448 120.300 0.031 0.000 2.497 487 Y HA 0.100 4.650 4.550 0.000 0.000 0.292 487 Y C 1.141 177.099 175.900 0.096 0.000 1.137 487 Y CA 0.776 58.918 58.100 0.070 0.000 1.285 487 Y CB -0.624 37.896 38.460 0.100 0.000 0.991 487 Y HN 0.047 nan 8.280 nan 0.000 0.556 488 N N -0.388 118.324 118.700 0.020 0.000 2.280 488 N HA 0.098 4.838 4.740 0.000 0.000 0.192 488 N C -0.457 174.927 175.510 -0.211 0.000 1.109 488 N CA 0.155 53.250 53.050 0.075 0.000 0.855 488 N CB -0.026 38.507 38.487 0.077 0.000 0.974 488 N HN 0.258 nan 8.380 nan 0.000 0.482 489 C N 0.889 120.049 119.300 -0.233 0.000 2.335 489 C HA 0.697 5.157 4.460 0.000 0.000 0.363 489 C C 0.607 175.384 174.990 -0.356 0.000 1.198 489 C CA -0.937 57.925 59.018 -0.259 0.000 2.279 489 C CB 0.554 28.203 27.740 -0.152 0.000 2.334 489 C HN 0.303 nan 8.230 nan 0.000 0.559 490 I N -0.514 119.872 120.570 -0.306 0.000 2.865 490 I HA 0.527 4.697 4.170 0.000 0.000 0.302 490 I C -0.783 175.230 176.117 -0.173 0.000 1.140 490 I CA -0.689 60.435 61.300 -0.294 0.000 1.021 490 I CB 1.437 39.197 38.000 -0.400 0.000 1.233 490 I HN 0.475 nan 8.210 nan 0.000 0.427 491 Q N 3.401 123.128 119.800 -0.123 0.000 2.286 491 Q HA 0.137 4.477 4.340 0.000 0.000 0.290 491 Q C -0.953 174.995 176.000 -0.086 0.000 1.049 491 Q CA 0.856 56.642 55.803 -0.028 0.000 0.923 491 Q CB 0.191 29.000 28.738 0.118 0.000 1.183 491 Q HN 0.722 nan 8.270 nan 0.000 0.383 492 N N 4.217 122.925 118.700 0.014 0.000 2.442 492 N HA 0.175 4.915 4.740 0.000 0.000 0.265 492 N C -1.231 174.385 175.510 0.176 0.000 1.138 492 N CA -0.298 52.764 53.050 0.020 0.000 0.956 492 N CB 0.485 38.985 38.487 0.023 0.000 1.067 492 N HN 0.454 nan 8.380 nan 0.000 0.474 493 W N 0.733 121.899 121.300 -0.223 0.000 2.509 493 W HA 0.313 4.973 4.660 0.000 0.000 0.351 493 W C 0.208 176.470 176.519 -0.430 0.000 1.107 493 W CA -0.745 56.410 57.345 -0.317 0.000 1.264 493 W CB 0.548 29.791 29.460 -0.363 0.000 1.312 493 W HN 0.266 nan 8.180 nan 0.000 0.608 494 Q N 2.288 122.039 119.800 -0.082 0.000 2.553 494 Q HA 0.048 4.389 4.340 0.000 0.000 0.221 494 Q C 0.775 176.733 176.000 -0.070 0.000 1.219 494 Q CA 0.071 55.823 55.803 -0.085 0.000 0.955 494 Q CB -0.048 28.646 28.738 -0.073 0.000 1.399 494 Q HN 0.632 nan 8.270 nan 0.000 0.551 495 H N 0.794 119.931 119.070 0.112 0.000 2.387 495 H HA -0.103 4.453 4.556 0.000 0.000 0.299 495 H C 1.575 176.920 175.328 0.030 0.000 1.090 495 H CA 1.169 57.280 56.048 0.104 0.000 1.332 495 H CB 0.356 30.197 29.762 0.132 0.000 1.386 495 H HN 0.370 nan 8.280 nan 0.000 0.516 496 L N 0.532 121.834 121.223 0.131 0.000 2.376 496 L HA -0.095 4.246 4.340 0.000 0.000 0.219 496 L C 1.481 178.353 176.870 0.003 0.000 1.133 496 L CA 0.625 55.511 54.840 0.077 0.000 0.816 496 L CB -0.039 42.068 42.059 0.081 0.000 0.933 496 L HN 0.311 nan 8.230 nan 0.000 0.449 497 E N 0.036 120.206 120.200 -0.050 0.000 2.474 497 E HA 0.035 4.385 4.350 0.000 0.000 0.194 497 E C 2.239 178.681 176.600 -0.263 0.000 1.041 497 E CA 0.232 56.552 56.400 -0.134 0.000 0.874 497 E CB 0.155 29.776 29.700 -0.131 0.000 0.914 497 E HN 0.475 nan 8.360 nan 0.000 0.498 498 L N 0.224 121.296 121.223 -0.251 0.000 1.989 498 L HA -0.209 4.132 4.340 0.000 0.000 0.211 498 L C 2.426 178.996 176.870 -0.499 0.000 1.071 498 L CA 1.185 55.765 54.840 -0.434 0.000 0.749 498 L CB -0.585 41.360 42.059 -0.190 0.000 0.890 498 L HN 0.139 nan 8.230 nan 0.000 0.431 499 L N -0.316 120.689 121.223 -0.364 0.000 1.970 499 L HA -0.174 4.166 4.340 0.000 0.000 0.212 499 L C -0.117 176.447 176.870 -0.509 0.000 1.071 499 L CA 1.672 56.246 54.840 -0.442 0.000 0.751 499 L CB -1.930 39.731 42.059 -0.663 0.000 0.889 499 L HN 0.251 nan 8.230 nan 0.000 0.432 500 P HA -0.124 nan 4.420 nan 0.000 0.218 500 P C 1.521 178.698 177.300 -0.205 0.000 1.149 500 P CA 1.476 64.377 63.100 -0.331 0.000 0.817 500 P CB -0.182 31.416 31.700 -0.170 0.000 0.785 501 T N -0.396 113.983 114.554 -0.292 0.000 2.833 501 T HA -0.085 4.265 4.350 0.000 0.000 0.269 501 T C 0.947 175.546 174.700 -0.168 0.000 1.054 501 T CA 1.118 63.044 62.100 -0.290 0.000 1.135 501 T CB -0.653 67.931 68.868 -0.473 0.000 0.869 501 T HN -0.000 nan 8.240 nan 0.000 0.466 502 F N 0.685 120.568 119.950 -0.112 0.000 2.731 502 F HA 0.422 4.949 4.527 0.000 0.000 0.304 502 F C 1.865 177.619 175.800 -0.076 0.000 1.133 502 F CA -0.693 57.257 58.000 -0.083 0.000 1.380 502 F CB -0.742 38.215 39.000 -0.072 0.000 1.079 502 F HN 0.270 nan 8.300 nan 0.000 0.550 503 G N -0.162 108.672 108.800 0.057 0.000 2.157 503 G HA2 -0.103 3.857 3.960 0.000 0.000 0.239 503 G HA3 -0.103 3.857 3.960 0.000 0.000 0.239 503 G C 0.451 175.361 174.900 0.016 0.000 0.982 503 G CA -0.201 44.917 45.100 0.030 0.000 0.650 503 G HN 0.638 nan 8.290 nan 0.000 0.527 504 A N -0.045 122.758 122.820 -0.029 0.000 2.488 504 A HA 0.623 4.943 4.320 0.000 0.000 0.249 504 A C 1.362 179.035 177.584 0.149 0.000 1.083 504 A CA 0.997 53.036 52.037 0.003 0.000 0.768 504 A CB 0.441 19.345 19.000 -0.161 0.000 1.017 504 A HN 0.189 nan 8.150 nan 0.000 0.496 505 K N 0.980 121.486 120.400 0.176 0.000 2.329 505 K HA 0.072 4.392 4.320 0.000 0.000 0.198 505 K C -0.296 176.394 176.600 0.150 0.000 1.085 505 K CA 0.532 56.920 56.287 0.167 0.000 0.961 505 K CB 0.189 32.731 32.500 0.070 0.000 0.971 505 K HN 0.751 nan 8.250 nan 0.000 0.502 506 D N 0.814 121.293 120.400 0.133 0.000 2.454 506 D HA 0.218 4.858 4.640 0.000 0.000 0.225 506 D C -1.131 175.234 176.300 0.107 0.000 1.081 506 D CA -0.535 53.493 54.000 0.046 0.000 0.864 506 D CB -0.028 40.781 40.800 0.014 0.000 1.040 506 D HN 0.046 nan 8.370 nan 0.000 0.517 507 Y N -0.318 119.956 120.300 -0.044 0.000 2.702 507 Y HA 0.575 5.126 4.550 0.000 0.000 0.336 507 Y C -1.469 174.401 175.900 -0.050 0.000 1.203 507 Y CA -1.158 56.908 58.100 -0.057 0.000 1.072 507 Y CB 0.769 39.202 38.460 -0.046 0.000 1.327 507 Y HN 0.053 nan 8.280 nan 0.000 0.456 508 E N 1.252 121.460 120.200 0.014 0.000 2.256 508 E HA 0.841 5.191 4.350 0.000 0.000 0.267 508 E C -1.467 175.260 176.600 0.212 0.000 0.892 508 E CA -1.424 54.970 56.400 -0.010 0.000 0.775 508 E CB 2.372 32.062 29.700 -0.016 0.000 1.207 508 E HN 0.870 nan 8.360 nan 0.000 0.420 509 A N 1.724 124.658 122.820 0.190 0.000 2.385 509 A HA 0.602 4.922 4.320 0.000 0.000 0.290 509 A C -0.959 176.670 177.584 0.075 0.000 1.094 509 A CA -0.678 51.450 52.037 0.152 0.000 0.729 509 A CB 0.785 19.913 19.000 0.213 0.000 1.194 509 A HN 0.422 nan 8.150 nan 0.000 0.442 510 V N 0.064 119.994 119.914 0.028 0.000 2.925 510 V HA 0.831 4.951 4.120 0.000 0.000 0.311 510 V C -0.448 175.650 176.094 0.007 0.000 1.104 510 V CA -1.029 61.272 62.300 0.002 0.000 0.954 510 V CB 1.754 33.550 31.823 -0.046 0.000 1.022 510 V HN 1.023 nan 8.190 nan 0.000 0.427 511 R N 2.365 122.878 120.500 0.022 0.000 2.407 511 R HA 0.851 5.191 4.340 0.000 0.000 0.303 511 R C -1.011 175.312 176.300 0.038 0.000 0.981 511 R CA -0.385 55.743 56.100 0.046 0.000 0.905 511 R CB 1.940 32.276 30.300 0.060 0.000 1.099 511 R HN 1.220 nan 8.270 nan 0.000 0.459 512 V N 0.813 120.773 119.914 0.076 0.000 2.656 512 V HA 0.560 4.681 4.120 0.000 0.000 0.307 512 V C -0.373 175.794 176.094 0.121 0.000 1.051 512 V CA -0.491 61.870 62.300 0.100 0.000 0.893 512 V CB 2.147 34.063 31.823 0.155 0.000 0.999 512 V HN 0.854 nan 8.190 nan 0.000 0.426 513 S N 1.562 117.308 115.700 0.078 0.000 2.651 513 S HA 0.241 4.711 4.470 0.000 0.000 0.259 513 S C 0.719 175.313 174.600 -0.010 0.000 1.073 513 S CA 0.510 58.734 58.200 0.041 0.000 1.090 513 S CB 0.683 63.898 63.200 0.024 0.000 1.042 513 S HN 1.187 nan 8.310 nan 0.000 0.581 514 T N -1.293 113.253 114.554 -0.014 0.000 2.930 514 T HA 0.462 4.813 4.350 0.000 0.000 0.290 514 T C 0.879 175.503 174.700 -0.127 0.000 1.052 514 T CA -0.299 61.742 62.100 -0.098 0.000 1.017 514 T CB 1.406 70.224 68.868 -0.084 0.000 1.137 514 T HN -0.200 nan 8.240 nan 0.000 0.511 515 T N 1.093 115.430 114.554 -0.362 0.000 2.720 515 T HA 0.010 4.360 4.350 0.000 0.000 0.268 515 T C 2.098 176.756 174.700 -0.070 0.000 1.037 515 T CA 2.281 64.031 62.100 -0.584 0.000 1.144 515 T CB -1.040 67.288 68.868 -0.900 0.000 0.864 515 T HN 0.848 nan 8.240 nan 0.000 0.444 516 G N 0.587 109.361 108.800 -0.043 0.000 2.394 516 G HA2 -0.114 3.846 3.960 0.000 0.000 0.215 516 G HA3 -0.114 3.846 3.960 0.000 0.000 0.215 516 G C 1.452 176.396 174.900 0.073 0.000 1.165 516 G CA 0.538 45.662 45.100 0.040 0.000 0.784 516 G HN 0.525 nan 8.290 nan 0.000 0.535 517 E N -0.562 119.670 120.200 0.054 0.000 2.118 517 E HA -0.150 4.200 4.350 0.000 0.000 0.195 517 E C 2.009 178.665 176.600 0.093 0.000 0.992 517 E CA 0.774 57.205 56.400 0.053 0.000 0.804 517 E CB -0.233 29.491 29.700 0.040 0.000 0.741 517 E HN 0.614 nan 8.360 nan 0.000 0.458 518 W N 2.336 123.641 121.300 0.008 0.000 2.354 518 W HA -0.169 4.491 4.660 0.000 0.000 0.315 518 W C 1.494 178.051 176.519 0.063 0.000 1.206 518 W CA 1.352 58.740 57.345 0.071 0.000 1.290 518 W CB -0.388 29.214 29.460 0.237 0.000 1.152 518 W HN 0.043 nan 8.180 nan 0.000 0.489 519 N N 0.797 119.764 118.700 0.445 0.000 2.120 519 N HA -0.179 4.561 4.740 0.000 0.000 0.188 519 N C 1.687 177.254 175.510 0.095 0.000 1.024 519 N CA 1.967 55.203 53.050 0.309 0.000 0.852 519 N CB -0.690 37.991 38.487 0.323 0.000 1.003 519 N HN 0.278 nan 8.380 nan 0.000 0.424 520 K N 0.329 120.756 120.400 0.045 0.000 2.063 520 K HA -0.127 4.193 4.320 0.000 0.000 0.208 520 K C 1.941 178.471 176.600 -0.116 0.000 1.048 520 K CA 0.786 57.063 56.287 -0.018 0.000 0.928 520 K CB -0.232 32.258 32.500 -0.016 0.000 0.713 520 K HN 0.050 nan 8.250 nan 0.000 0.442 521 L N 1.036 122.106 121.223 -0.256 0.000 2.005 521 L HA -0.149 4.191 4.340 0.000 0.000 0.207 521 L C 2.441 178.868 176.870 -0.739 0.000 1.072 521 L CA 2.161 56.660 54.840 -0.569 0.000 0.744 521 L CB -0.811 40.788 42.059 -0.767 0.000 0.895 521 L HN 0.309 nan 8.230 nan 0.000 0.433 522 T N -4.896 109.306 114.554 -0.586 0.000 3.023 522 T HA -0.092 4.258 4.350 0.000 0.000 0.266 522 T C 1.552 176.368 174.700 0.193 0.000 1.093 522 T CA 1.051 62.971 62.100 -0.301 0.000 1.129 522 T CB -0.978 67.621 68.868 -0.449 0.000 0.899 522 T HN 0.514 nan 8.240 nan 0.000 0.491 523 T N -0.979 113.642 114.554 0.112 0.000 3.107 523 T HA 0.134 4.485 4.350 0.000 0.000 0.249 523 T C 0.330 175.125 174.700 0.158 0.000 1.096 523 T CA -0.192 62.012 62.100 0.172 0.000 1.012 523 T CB -0.562 68.389 68.868 0.139 0.000 0.977 523 T HN 0.449 nan 8.240 nan 0.000 0.527 524 D N 1.211 121.698 120.400 0.146 0.000 2.383 524 D HA 0.093 4.733 4.640 0.000 0.000 0.252 524 D C 1.238 177.668 176.300 0.217 0.000 1.166 524 D CA -0.173 53.915 54.000 0.146 0.000 0.879 524 D CB 0.816 41.685 40.800 0.115 0.000 1.164 524 D HN 0.145 nan 8.370 nan 0.000 0.462 525 E N 2.632 122.924 120.200 0.153 0.000 2.110 525 E HA -0.201 4.149 4.350 0.000 0.000 0.193 525 E C 1.369 178.060 176.600 0.151 0.000 0.988 525 E CA 0.983 57.467 56.400 0.141 0.000 0.804 525 E CB 0.229 29.984 29.700 0.091 0.000 0.745 525 E HN 0.540 nan 8.360 nan 0.000 0.458 526 K N -0.088 120.400 120.400 0.145 0.000 2.148 526 K HA -0.142 4.179 4.320 0.000 0.000 0.204 526 K C 2.022 178.731 176.600 0.183 0.000 1.050 526 K CA 0.860 57.224 56.287 0.128 0.000 0.942 526 K CB -0.254 32.304 32.500 0.096 0.000 0.724 526 K HN 0.133 nan 8.250 nan 0.000 0.446 527 F N 2.615 122.633 119.950 0.113 0.000 2.234 527 F HA -0.130 4.397 4.527 0.000 0.000 0.299 527 F C 1.907 177.918 175.800 0.353 0.000 1.087 527 F CA 1.277 59.383 58.000 0.177 0.000 1.340 527 F CB 0.006 39.084 39.000 0.131 0.000 1.031 527 F HN -0.034 nan 8.300 nan 0.000 0.500 528 Q N -0.211 119.784 119.800 0.325 0.000 2.500 528 Q HA -0.111 4.229 4.340 0.000 0.000 0.213 528 Q C -0.151 175.903 176.000 0.091 0.000 0.974 528 Q CA 0.615 56.543 55.803 0.209 0.000 0.918 528 Q CB -0.236 28.616 28.738 0.190 0.000 0.980 528 Q HN 0.272 nan 8.270 nan 0.000 0.505 529 D N 1.004 121.461 120.400 0.096 0.000 2.193 529 D HA 0.005 4.645 4.640 0.000 0.000 0.244 529 D C -0.513 175.818 176.300 0.052 0.000 1.064 529 D CA -0.726 53.309 54.000 0.059 0.000 0.845 529 D CB 0.685 41.508 40.800 0.039 0.000 1.148 529 D HN 0.064 nan 8.370 nan 0.000 0.464 530 N N 2.539 121.273 118.700 0.057 0.000 3.193 530 N HA -0.034 4.707 4.740 0.000 0.000 0.312 530 N C 0.304 175.773 175.510 -0.068 0.000 1.261 530 N CA -0.091 52.960 53.050 0.003 0.000 1.208 530 N CB 0.405 38.935 38.487 0.071 0.000 1.471 530 N HN 0.192 nan 8.380 nan 0.000 0.548 531 T N -0.135 114.362 114.554 -0.094 0.000 3.051 531 T HA 0.068 4.418 4.350 0.000 0.000 0.255 531 T C 0.498 175.146 174.700 -0.086 0.000 1.085 531 T CA 0.323 62.383 62.100 -0.067 0.000 1.109 531 T CB 0.280 69.121 68.868 -0.044 0.000 0.921 531 T HN 0.722 nan 8.240 nan 0.000 0.488 532 R N -0.430 119.983 120.500 -0.144 0.000 2.716 532 R HA 0.491 4.831 4.340 0.000 0.000 0.271 532 R C -1.307 174.878 176.300 -0.192 0.000 1.028 532 R CA -0.921 55.107 56.100 -0.120 0.000 0.883 532 R CB 0.519 30.772 30.300 -0.077 0.000 1.250 532 R HN 0.122 nan 8.270 nan 0.000 0.465 533 I N 1.268 121.768 120.570 -0.118 0.000 2.692 533 I HA 0.188 4.358 4.170 0.000 0.000 0.284 533 I C -0.464 175.578 176.117 -0.125 0.000 1.159 533 I CA 0.008 61.224 61.300 -0.140 0.000 1.423 533 I CB 0.365 38.331 38.000 -0.057 0.000 1.380 533 I HN 0.546 nan 8.210 nan 0.000 0.580 534 R N 7.121 127.490 120.500 -0.217 0.000 2.651 534 R HA 0.576 4.917 4.340 0.000 0.000 0.278 534 R C -1.604 174.607 176.300 -0.148 0.000 1.010 534 R CA -0.916 55.083 56.100 -0.168 0.000 0.896 534 R CB 2.163 32.287 30.300 -0.293 0.000 1.211 534 R HN 0.560 nan 8.270 nan 0.000 0.456 535 L N 3.443 124.623 121.223 -0.072 0.000 2.356 535 L HA 0.596 4.936 4.340 0.000 0.000 0.277 535 L C -1.502 175.308 176.870 -0.100 0.000 0.996 535 L CA -0.870 53.920 54.840 -0.083 0.000 0.822 535 L CB 1.427 43.482 42.059 -0.008 0.000 1.256 535 L HN 0.569 nan 8.230 nan 0.000 0.413 536 I N 4.394 124.848 120.570 -0.193 0.000 2.420 536 I HA 0.295 4.465 4.170 0.000 0.000 0.282 536 I C -0.174 175.940 176.117 -0.006 0.000 1.019 536 I CA -0.138 61.054 61.300 -0.179 0.000 1.130 536 I CB 1.728 39.417 38.000 -0.519 0.000 1.262 536 I HN 0.545 nan 8.210 nan 0.000 0.454 537 E N 6.047 126.274 120.200 0.045 0.000 2.129 537 E HA 0.336 4.686 4.350 0.000 0.000 0.283 537 E C -1.106 175.581 176.600 0.146 0.000 1.080 537 E CA -0.419 56.033 56.400 0.087 0.000 0.867 537 E CB 0.871 30.637 29.700 0.111 0.000 1.056 537 E HN 0.395 nan 8.360 nan 0.000 0.404 538 V N 6.632 126.669 119.914 0.205 0.000 2.334 538 V HA 0.162 4.282 4.120 0.000 0.000 0.267 538 V C 0.230 176.426 176.094 0.169 0.000 1.040 538 V CA -0.570 61.885 62.300 0.258 0.000 0.866 538 V CB 0.917 32.968 31.823 0.380 0.000 1.019 538 V HN 0.759 nan 8.190 nan 0.000 0.468 539 M N 6.857 126.539 119.600 0.136 0.000 2.143 539 M HA 0.500 4.981 4.480 0.000 0.000 0.348 539 M C -0.618 175.724 176.300 0.070 0.000 1.375 539 M CA 0.216 55.574 55.300 0.097 0.000 1.124 539 M CB 0.364 33.011 32.600 0.078 0.000 1.669 539 M HN 0.420 nan 8.290 nan 0.000 0.469 540 L N 4.614 125.877 121.223 0.067 0.000 2.350 540 L HA 0.629 4.969 4.340 0.000 0.000 0.260 540 L C -2.178 174.717 176.870 0.041 0.000 1.015 540 L CA -1.990 52.877 54.840 0.046 0.000 0.821 540 L CB 2.310 44.404 42.059 0.059 0.000 1.370 540 L HN 0.421 nan 8.230 nan 0.000 0.416 541 P HA 0.023 nan 4.420 nan 0.000 0.269 541 P C 0.424 177.746 177.300 0.038 0.000 1.215 541 P CA -0.171 62.944 63.100 0.025 0.000 0.780 541 P CB 0.757 32.466 31.700 0.015 0.000 0.898 542 T N 0.546 115.118 114.554 0.030 0.000 2.821 542 T HA -0.064 4.286 4.350 0.000 0.000 0.267 542 T C 1.309 176.033 174.700 0.040 0.000 1.046 542 T CA 1.303 63.422 62.100 0.033 0.000 1.139 542 T CB -0.382 68.496 68.868 0.015 0.000 0.871 542 T HN 0.142 nan 8.240 nan 0.000 0.454 543 M N 1.528 121.147 119.600 0.031 0.000 2.419 543 M HA 0.337 4.818 4.480 0.000 0.000 0.252 543 M C 0.058 176.382 176.300 0.040 0.000 1.143 543 M CA -0.163 55.156 55.300 0.032 0.000 0.985 543 M CB -0.511 32.099 32.600 0.016 0.000 1.489 543 M HN 0.261 nan 8.290 nan 0.000 0.484 544 D N 1.460 121.890 120.400 0.049 0.000 2.264 544 D HA 0.627 5.267 4.640 0.000 0.000 0.249 544 D C -0.836 175.517 176.300 0.088 0.000 1.070 544 D CA 0.030 54.063 54.000 0.057 0.000 0.912 544 D CB 1.289 42.117 40.800 0.047 0.000 1.193 544 D HN 0.275 nan 8.370 nan 0.000 0.427 545 A N 2.890 125.767 122.820 0.096 0.000 2.586 545 A HA 0.625 4.946 4.320 0.000 0.000 0.290 545 A C -2.818 174.848 177.584 0.136 0.000 1.086 545 A CA -1.262 50.853 52.037 0.130 0.000 0.665 545 A CB 0.697 19.747 19.000 0.083 0.000 1.279 545 A HN 0.490 nan 8.150 nan 0.000 0.423 546 P HA 0.229 nan 4.420 nan 0.000 0.270 546 P C 0.879 178.205 177.300 0.044 0.000 1.223 546 P CA 0.180 63.355 63.100 0.125 0.000 0.785 546 P CB 0.614 32.361 31.700 0.078 0.000 0.923 547 S N 1.288 117.011 115.700 0.038 0.000 2.380 547 S HA -0.215 4.256 4.470 0.000 0.000 0.229 547 S C 1.666 176.249 174.600 -0.029 0.000 1.043 547 S CA 1.964 60.169 58.200 0.008 0.000 1.038 547 S CB -1.014 62.193 63.200 0.012 0.000 0.872 547 S HN 0.711 nan 8.310 nan 0.000 0.456 548 N N 1.814 120.483 118.700 -0.052 0.000 2.069 548 N HA -0.115 4.625 4.740 0.000 0.000 0.191 548 N C 1.461 176.886 175.510 -0.142 0.000 1.031 548 N CA 1.175 54.165 53.050 -0.099 0.000 0.852 548 N CB -0.936 37.478 38.487 -0.122 0.000 1.018 548 N HN 0.248 nan 8.380 nan 0.000 0.423 549 L N 0.592 121.710 121.223 -0.175 0.000 2.083 549 L HA 0.007 4.347 4.340 0.000 0.000 0.209 549 L C 2.520 179.334 176.870 -0.095 0.000 1.083 549 L CA 0.660 55.385 54.840 -0.192 0.000 0.752 549 L CB -0.863 41.079 42.059 -0.196 0.000 0.899 549 L HN 0.058 nan 8.230 nan 0.000 0.433 550 V N -0.749 119.134 119.914 -0.052 0.000 2.307 550 V HA -0.262 3.858 4.120 0.000 0.000 0.245 550 V C 2.416 178.491 176.094 -0.032 0.000 1.045 550 V CA 1.491 63.775 62.300 -0.026 0.000 1.024 550 V CB -0.508 31.312 31.823 -0.005 0.000 0.651 550 V HN 0.418 nan 8.190 nan 0.000 0.449 551 K N -0.160 120.217 120.400 -0.038 0.000 2.148 551 K HA -0.226 4.095 4.320 0.000 0.000 0.204 551 K C 2.257 178.831 176.600 -0.043 0.000 1.050 551 K CA 1.450 57.716 56.287 -0.036 0.000 0.942 551 K CB -0.172 32.307 32.500 -0.035 0.000 0.724 551 K HN 0.516 nan 8.250 nan 0.000 0.446 552 Q N 0.821 120.584 119.800 -0.062 0.000 2.084 552 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 552 Q C 2.035 178.010 176.000 -0.043 0.000 0.978 552 Q CA 1.543 57.309 55.803 -0.062 0.000 0.844 552 Q CB -0.095 28.586 28.738 -0.095 0.000 0.898 552 Q HN 0.320 nan 8.270 nan 0.000 0.426 553 A N 0.688 123.485 122.820 -0.039 0.000 1.877 553 A HA -0.240 4.080 4.320 0.000 0.000 0.216 553 A C 1.949 179.524 177.584 -0.014 0.000 1.186 553 A CA 1.689 53.714 52.037 -0.021 0.000 0.620 553 A CB -0.617 18.373 19.000 -0.016 0.000 0.822 553 A HN 0.556 nan 8.150 nan 0.000 0.443 554 Q N -0.730 119.060 119.800 -0.016 0.000 2.226 554 Q HA -0.073 4.267 4.340 0.000 0.000 0.204 554 Q C 2.063 178.055 176.000 -0.012 0.000 0.975 554 Q CA 1.194 56.990 55.803 -0.012 0.000 0.866 554 Q CB -0.220 28.511 28.738 -0.012 0.000 0.915 554 Q HN 0.703 nan 8.270 nan 0.000 0.440 555 L N 0.067 121.280 121.223 -0.017 0.000 2.102 555 L HA 0.024 4.364 4.340 0.000 0.000 0.202 555 L C 0.851 177.713 176.870 -0.013 0.000 1.076 555 L CA 1.460 56.290 54.840 -0.016 0.000 0.761 555 L CB -0.564 41.482 42.059 -0.022 0.000 0.921 555 L HN 0.048 nan 8.230 nan 0.000 0.444 556 T N 1.523 116.070 114.554 -0.013 0.000 3.535 556 T HA 0.414 4.764 4.350 0.000 0.000 0.238 556 T C 0.787 175.489 174.700 0.004 0.000 0.909 556 T CA 0.547 62.644 62.100 -0.005 0.000 0.928 556 T CB -0.314 68.550 68.868 -0.005 0.000 1.134 556 T HN 0.527 nan 8.240 nan 0.000 0.627 557 A N -0.698 122.123 122.820 0.001 0.000 2.733 557 A HA 0.819 5.139 4.320 0.000 0.000 0.232 557 A C 1.331 178.916 177.584 0.000 0.000 1.251 557 A CA 0.321 52.360 52.037 0.003 0.000 1.015 557 A CB 0.143 19.143 19.000 0.001 0.000 1.291 557 A HN 0.516 nan 8.150 nan 0.000 0.595 558 A N -0.699 122.119 122.820 -0.002 0.000 1.876 558 A HA 0.446 4.767 4.320 0.000 0.000 0.193 558 A C 0.758 178.339 177.584 -0.004 0.000 1.883 558 A CA 1.025 53.060 52.037 -0.003 0.000 1.052 558 A CB -0.297 18.700 19.000 -0.005 0.000 1.049 558 A HN 0.302 nan 8.150 nan 0.000 0.615 559 T N 2.690 117.241 114.554 -0.006 0.000 2.848 559 T HA 0.429 4.779 4.350 0.000 0.000 0.283 559 T C -0.020 174.675 174.700 -0.007 0.000 0.919 559 T CA 0.292 62.387 62.100 -0.007 0.000 1.071 559 T CB -0.649 68.213 68.868 -0.010 0.000 0.912 559 T HN 0.529 nan 8.240 nan 0.000 0.570 560 N N 0.000 118.697 118.700 -0.005 0.000 1.763 560 N HA 0.000 4.740 4.740 0.000 0.000 0.220 560 N CA 0.000 53.048 53.050 -0.004 0.000 0.885 560 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 560 N HN 0.000 nan 8.380 nan 0.000 0.667