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_D DATA FIRST_RESID 2 DATA SEQUENCE SEITLGRYLF ERLKQVEVQT IFGLPGDFNL SLLDNIYEVP GMRWAGNANE DATA SEQUENCE LNAAYAADGY ARLKGMSCII TTFGVGELSA LNGIAGSYAE HVGVLHVVGV DATA SEQUENCE PSVXXQAKQL 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 QAQLTAATNA KN 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 0.000 174.612 174.600 0.019 0.000 1.055 2 S CA 0.000 58.209 58.200 0.014 0.000 1.107 2 S CB 0.000 63.210 63.200 0.016 0.000 0.593 3 E N 2.953 123.165 120.200 0.020 0.000 2.272 3 E HA 0.567 4.916 4.350 -0.002 0.000 0.269 3 E C -0.788 175.830 176.600 0.030 0.000 0.877 3 E CA -0.664 55.749 56.400 0.022 0.000 0.755 3 E CB 2.128 31.834 29.700 0.010 0.000 1.192 3 E HN 0.714 nan 8.360 nan 0.000 0.422 4 I N -1.609 118.987 120.570 0.044 0.000 2.846 4 I HA 0.530 4.699 4.170 -0.002 0.000 0.307 4 I C 0.533 176.681 176.117 0.052 0.000 1.053 4 I CA -0.936 60.398 61.300 0.057 0.000 1.050 4 I CB 1.856 39.907 38.000 0.085 0.000 1.239 4 I HN 0.334 nan 8.210 nan 0.000 0.439 5 T N 1.076 115.661 114.554 0.052 0.000 2.856 5 T HA 0.123 4.472 4.350 -0.002 0.000 0.306 5 T C 0.915 175.649 174.700 0.056 0.000 1.062 5 T CA -0.504 61.619 62.100 0.039 0.000 1.083 5 T CB 1.242 70.133 68.868 0.037 0.000 0.984 5 T HN 0.696 nan 8.240 nan 0.000 0.542 6 L N 2.719 123.950 121.223 0.013 0.000 2.081 6 L HA 0.101 4.440 4.340 -0.002 0.000 0.212 6 L C 2.558 179.455 176.870 0.046 0.000 1.080 6 L CA 2.512 57.351 54.840 -0.001 0.000 0.754 6 L CB -1.347 40.673 42.059 -0.064 0.000 0.893 6 L HN 1.004 nan 8.230 nan 0.000 0.433 7 G N -1.119 107.702 108.800 0.035 0.000 2.418 7 G HA2 -0.357 3.601 3.960 -0.002 0.000 0.217 7 G HA3 -0.357 3.601 3.960 -0.002 0.000 0.217 7 G C 1.740 176.715 174.900 0.124 0.000 1.158 7 G CA 0.864 45.990 45.100 0.044 0.000 0.771 7 G HN 0.402 nan 8.290 nan 0.000 0.545 8 R N -0.540 120.054 120.500 0.157 0.000 2.081 8 R HA -0.099 4.240 4.340 -0.002 0.000 0.235 8 R C 2.185 178.573 176.300 0.146 0.000 1.131 8 R CA 1.423 57.633 56.100 0.183 0.000 0.960 8 R CB -0.990 29.383 30.300 0.121 0.000 0.856 8 R HN 0.429 nan 8.270 nan 0.000 0.436 9 Y N 0.493 120.791 120.300 -0.004 0.000 2.081 9 Y HA -0.306 4.242 4.550 -0.002 0.000 0.280 9 Y C 1.888 177.738 175.900 -0.083 0.000 1.163 9 Y CA 2.143 60.223 58.100 -0.034 0.000 1.135 9 Y CB -0.516 37.918 38.460 -0.044 0.000 0.970 9 Y HN 0.233 nan 8.280 nan 0.000 0.498 10 L N -0.333 120.889 121.223 -0.001 0.000 1.990 10 L HA -0.264 4.075 4.340 -0.002 0.000 0.213 10 L C 2.019 178.677 176.870 -0.353 0.000 1.072 10 L CA 2.089 56.777 54.840 -0.254 0.000 0.755 10 L CB -1.203 40.560 42.059 -0.493 0.000 0.889 10 L HN 0.242 nan 8.230 nan 0.000 0.432 11 F N 0.047 119.960 119.950 -0.061 0.000 2.186 11 F HA -0.098 4.428 4.527 -0.002 0.000 0.299 11 F C 2.544 178.281 175.800 -0.104 0.000 1.090 11 F CA 1.145 59.095 58.000 -0.082 0.000 1.307 11 F CB -0.767 38.183 39.000 -0.084 0.000 1.019 11 F HN 0.153 nan 8.300 nan 0.000 0.489 12 E N 0.136 120.348 120.200 0.021 0.000 2.077 12 E HA -0.152 4.197 4.350 -0.002 0.000 0.193 12 E C 2.428 178.942 176.600 -0.144 0.000 0.989 12 E CA 0.705 57.066 56.400 -0.065 0.000 0.800 12 E CB -0.274 29.365 29.700 -0.103 0.000 0.746 12 E HN 0.228 nan 8.360 nan 0.000 0.452 13 R N 0.665 121.002 120.500 -0.272 0.000 2.091 13 R HA -0.062 4.277 4.340 -0.002 0.000 0.238 13 R C 2.599 178.822 176.300 -0.129 0.000 1.136 13 R CA 0.675 56.619 56.100 -0.260 0.000 0.959 13 R CB -1.037 29.052 30.300 -0.351 0.000 0.856 13 R HN 0.249 nan 8.270 nan 0.000 0.437 14 L N 0.650 121.824 121.223 -0.083 0.000 2.017 14 L HA -0.184 4.155 4.340 -0.002 0.000 0.208 14 L C 2.674 179.549 176.870 0.008 0.000 1.073 14 L CA 1.525 56.358 54.840 -0.011 0.000 0.745 14 L CB -0.480 41.605 42.059 0.043 0.000 0.894 14 L HN 0.187 nan 8.230 nan 0.000 0.432 15 K N 0.090 120.497 120.400 0.011 0.000 2.074 15 K HA -0.273 4.046 4.320 -0.002 0.000 0.209 15 K C 2.093 178.683 176.600 -0.017 0.000 1.048 15 K CA 1.731 58.021 56.287 0.004 0.000 0.926 15 K CB -0.084 32.417 32.500 0.002 0.000 0.713 15 K HN 0.358 nan 8.250 nan 0.000 0.444 16 Q N -0.054 119.719 119.800 -0.046 0.000 2.197 16 Q HA -0.133 4.206 4.340 -0.002 0.000 0.207 16 Q C 1.589 177.551 176.000 -0.064 0.000 0.984 16 Q CA 1.651 57.418 55.803 -0.061 0.000 0.869 16 Q CB 0.039 28.724 28.738 -0.089 0.000 0.906 16 Q HN 0.383 nan 8.270 nan 0.000 0.426 17 V N -2.661 117.220 119.914 -0.056 0.000 3.249 17 V HA 0.187 4.306 4.120 -0.002 0.000 0.338 17 V C -0.172 175.925 176.094 0.005 0.000 1.363 17 V CA -0.080 62.179 62.300 -0.069 0.000 1.205 17 V CB -0.488 31.272 31.823 -0.104 0.000 1.164 17 V HN 0.315 nan 8.190 nan 0.000 0.458 18 E N -1.514 118.697 120.200 0.019 0.000 3.181 18 E HA -0.159 4.190 4.350 -0.002 0.000 0.293 18 E C -0.001 176.672 176.600 0.120 0.000 0.936 18 E CA 0.617 57.046 56.400 0.049 0.000 0.975 18 E CB -1.654 28.065 29.700 0.033 0.000 1.496 18 E HN 0.584 nan 8.360 nan 0.000 0.429 19 V N 1.341 121.336 119.914 0.134 0.000 2.385 19 V HA 0.050 4.168 4.120 -0.002 0.000 0.269 19 V C 1.166 177.313 176.094 0.088 0.000 1.043 19 V CA 0.481 62.903 62.300 0.203 0.000 0.906 19 V CB 1.327 33.239 31.823 0.149 0.000 0.995 19 V HN 0.227 nan 8.190 nan 0.000 0.467 20 Q N 1.915 121.770 119.800 0.091 0.000 2.391 20 Q HA 0.158 4.497 4.340 -0.002 0.000 0.243 20 Q C 0.275 176.118 176.000 -0.261 0.000 0.874 20 Q CA 0.311 56.087 55.803 -0.046 0.000 0.950 20 Q CB 0.911 29.653 28.738 0.007 0.000 1.103 20 Q HN 0.728 nan 8.270 nan 0.000 0.544 21 T N 1.596 115.851 114.554 -0.498 0.000 2.794 21 T HA 0.433 4.781 4.350 -0.002 0.000 0.280 21 T C -0.536 173.481 174.700 -1.138 0.000 0.987 21 T CA -0.382 61.119 62.100 -0.998 0.000 0.993 21 T CB 1.320 69.318 68.868 -1.450 0.000 0.939 21 T HN -0.030 nan 8.240 nan 0.000 0.449 22 I N 3.603 123.596 120.570 -0.962 0.000 2.406 22 I HA 0.469 4.638 4.170 -0.002 0.000 0.290 22 I C -0.488 175.096 176.117 -0.888 0.000 0.999 22 I CA -0.965 59.988 61.300 -0.578 0.000 1.124 22 I CB 0.998 38.975 38.000 -0.039 0.000 1.289 22 I HN 0.538 nan 8.210 nan 0.000 0.441 23 F N 2.899 122.615 119.950 -0.390 0.000 2.457 23 F HA 0.841 5.366 4.527 -0.002 0.000 0.330 23 F C 1.065 176.590 175.800 -0.458 0.000 1.069 23 F CA 0.040 57.740 58.000 -0.501 0.000 1.009 23 F CB 1.597 40.406 39.000 -0.318 0.000 1.276 23 F HN 0.682 nan 8.300 nan 0.000 0.492 24 G N 0.179 108.810 108.800 -0.281 0.000 2.331 24 G HA2 0.262 4.221 3.960 -0.002 0.000 0.479 24 G HA3 0.262 4.221 3.960 -0.002 0.000 0.479 24 G C -2.382 172.518 174.900 0.000 0.000 1.262 24 G CA -1.175 43.901 45.100 -0.041 0.000 1.029 24 G HN 0.552 nan 8.290 nan 0.000 0.487 25 L N 1.455 122.908 121.223 0.383 0.000 2.409 25 L HA 0.695 5.034 4.340 -0.002 0.000 0.262 25 L C -2.019 175.132 176.870 0.468 0.000 0.992 25 L CA -1.482 53.635 54.840 0.461 0.000 0.817 25 L CB 2.537 44.727 42.059 0.220 0.000 1.350 25 L HN 0.558 nan 8.230 nan 0.000 0.411 26 P HA 0.500 nan 4.420 nan 0.000 0.273 26 P C -0.517 176.833 177.300 0.083 0.000 1.250 26 P CA -0.159 63.006 63.100 0.108 0.000 0.793 26 P CB 1.189 32.903 31.700 0.023 0.000 1.011 27 G N -0.304 108.506 108.800 0.017 0.000 2.489 27 G HA2 0.156 4.115 3.960 -0.002 0.000 0.305 27 G HA3 0.156 4.115 3.960 -0.002 0.000 0.305 27 G C -0.114 174.717 174.900 -0.115 0.000 1.311 27 G CA -0.384 44.710 45.100 -0.009 0.000 0.813 27 G HN 0.267 nan 8.290 nan 0.000 0.480 28 D N -0.681 119.571 120.400 -0.246 0.000 2.158 28 D HA -0.033 4.605 4.640 -0.002 0.000 0.197 28 D C 1.293 177.119 176.300 -0.790 0.000 0.995 28 D CA 1.462 55.078 54.000 -0.640 0.000 0.846 28 D CB -0.055 40.094 40.800 -1.084 0.000 0.941 28 D HN 0.239 nan 8.370 nan 0.000 0.456 29 F N -0.562 119.375 119.950 -0.021 0.000 2.735 29 F HA 0.191 4.717 4.527 -0.002 0.000 0.304 29 F C 0.902 176.676 175.800 -0.043 0.000 1.119 29 F CA -0.519 57.447 58.000 -0.057 0.000 1.280 29 F CB 0.229 39.188 39.000 -0.068 0.000 0.994 29 F HN -0.121 nan 8.300 nan 0.000 0.520 30 N N -0.558 118.172 118.700 0.051 0.000 2.118 30 N HA 0.080 4.819 4.740 -0.002 0.000 0.226 30 N C 0.895 176.367 175.510 -0.063 0.000 1.305 30 N CA 0.046 53.105 53.050 0.015 0.000 0.890 30 N CB -0.580 37.929 38.487 0.037 0.000 1.118 30 N HN 0.247 nan 8.380 nan 0.000 0.511 31 L N -0.020 121.155 121.223 -0.078 0.000 2.027 31 L HA -0.004 4.335 4.340 -0.002 0.000 0.206 31 L C 1.884 178.700 176.870 -0.090 0.000 1.074 31 L CA 1.281 56.055 54.840 -0.110 0.000 0.745 31 L CB -0.587 41.415 42.059 -0.095 0.000 0.898 31 L HN 0.120 nan 8.230 nan 0.000 0.433 32 S N 0.383 116.052 115.700 -0.051 0.000 2.370 32 S HA -0.189 4.280 4.470 -0.002 0.000 0.226 32 S C 1.873 176.461 174.600 -0.019 0.000 1.033 32 S CA 1.356 59.538 58.200 -0.030 0.000 1.011 32 S CB -0.402 62.790 63.200 -0.013 0.000 0.852 32 S HN 0.244 nan 8.310 nan 0.000 0.457 33 L N 2.233 123.451 121.223 -0.009 0.000 1.989 33 L HA -0.064 4.274 4.340 -0.002 0.000 0.211 33 L C 1.954 178.853 176.870 0.048 0.000 1.071 33 L CA 1.723 56.595 54.840 0.053 0.000 0.749 33 L CB -0.782 41.306 42.059 0.049 0.000 0.890 33 L HN 0.293 nan 8.230 nan 0.000 0.431 34 L N -0.589 120.546 121.223 -0.146 0.000 2.187 34 L HA -0.232 4.107 4.340 -0.002 0.000 0.213 34 L C 2.130 178.713 176.870 -0.479 0.000 1.100 34 L CA 1.114 55.695 54.840 -0.432 0.000 0.765 34 L CB -1.049 40.587 42.059 -0.705 0.000 0.904 34 L HN 0.325 nan 8.230 nan 0.000 0.437 35 D N 0.131 120.401 120.400 -0.216 0.000 2.221 35 D HA -0.165 4.474 4.640 -0.002 0.000 0.204 35 D C 1.904 178.115 176.300 -0.148 0.000 0.982 35 D CA 0.919 54.871 54.000 -0.080 0.000 0.857 35 D CB -0.243 40.557 40.800 -0.002 0.000 0.934 35 D HN 0.376 nan 8.370 nan 0.000 0.475 36 N N 0.475 119.073 118.700 -0.170 0.000 2.331 36 N HA -0.033 4.706 4.740 -0.002 0.000 0.180 36 N C 2.056 177.357 175.510 -0.347 0.000 1.019 36 N CA 0.152 53.143 53.050 -0.099 0.000 0.881 36 N CB 0.222 38.805 38.487 0.159 0.000 0.972 36 N HN 0.300 nan 8.380 nan 0.000 0.435 37 I N 0.688 120.742 120.570 -0.860 0.000 2.118 37 I HA -0.321 3.848 4.170 -0.002 0.000 0.241 37 I C 1.647 177.434 176.117 -0.550 0.000 1.070 37 I CA 1.460 62.124 61.300 -1.060 0.000 1.327 37 I CB -0.510 36.729 38.000 -1.268 0.000 1.034 37 I HN 0.082 nan 8.210 nan 0.000 0.405 38 Y N 0.864 121.035 120.300 -0.215 0.000 2.403 38 Y HA -0.148 4.401 4.550 -0.002 0.000 0.291 38 Y C 2.382 178.235 175.900 -0.078 0.000 1.143 38 Y CA 0.558 58.590 58.100 -0.114 0.000 1.257 38 Y CB -0.702 37.704 38.460 -0.089 0.000 0.984 38 Y HN 0.204 nan 8.280 nan 0.000 0.550 39 E N -0.160 120.054 120.200 0.024 0.000 2.435 39 E HA 0.045 4.394 4.350 -0.002 0.000 0.195 39 E C 0.033 176.637 176.600 0.007 0.000 1.029 39 E CA 0.283 56.696 56.400 0.023 0.000 0.865 39 E CB 0.068 29.781 29.700 0.021 0.000 0.833 39 E HN 0.117 nan 8.360 nan 0.000 0.510 40 V N 3.628 123.527 119.914 -0.024 0.000 2.347 40 V HA 0.208 4.327 4.120 -0.002 0.000 0.280 40 V C -2.286 173.802 176.094 -0.011 0.000 1.021 40 V CA -2.064 60.229 62.300 -0.012 0.000 0.847 40 V CB 1.260 33.078 31.823 -0.007 0.000 0.990 40 V HN -0.086 nan 8.190 nan 0.000 0.444 41 P HA 0.185 nan 4.420 nan 0.000 0.265 41 P C 1.103 178.406 177.300 0.004 0.000 1.187 41 P CA 1.456 64.563 63.100 0.011 0.000 0.766 41 P CB 0.628 32.336 31.700 0.013 0.000 0.820 42 G N 1.451 110.257 108.800 0.011 0.000 2.267 42 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.257 42 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.257 42 G C 0.202 175.085 174.900 -0.029 0.000 0.998 42 G CA -0.189 44.913 45.100 0.003 0.000 0.620 42 G HN 0.433 nan 8.290 nan 0.000 0.529 43 M N 1.003 120.573 119.600 -0.051 0.000 2.249 43 M HA 0.531 5.010 4.480 -0.002 0.000 0.351 43 M C 0.798 177.022 176.300 -0.127 0.000 1.180 43 M CA -0.137 55.089 55.300 -0.123 0.000 1.127 43 M CB 1.072 33.567 32.600 -0.174 0.000 1.546 43 M HN 0.598 nan 8.290 nan 0.000 0.461 44 R N 1.497 121.861 120.500 -0.226 0.000 2.771 44 R HA 0.529 4.868 4.340 -0.002 0.000 0.274 44 R C -1.676 174.472 176.300 -0.252 0.000 0.987 44 R CA -0.901 55.099 56.100 -0.167 0.000 0.908 44 R CB 1.983 32.102 30.300 -0.301 0.000 1.213 44 R HN 0.859 nan 8.270 nan 0.000 0.468 45 W N 3.056 124.225 121.300 -0.219 0.000 2.349 45 W HA 0.393 5.052 4.660 -0.002 0.000 0.309 45 W C -0.056 176.391 176.519 -0.120 0.000 1.083 45 W CA -0.285 56.916 57.345 -0.240 0.000 1.224 45 W CB 1.796 31.186 29.460 -0.117 0.000 1.256 45 W HN 0.952 nan 8.180 nan 0.000 0.461 46 A N 4.724 127.021 122.820 -0.871 0.000 1.908 46 A HA 0.064 4.383 4.320 -0.002 0.000 0.218 46 A C 1.500 179.016 177.584 -0.114 0.000 1.181 46 A CA 1.609 53.275 52.037 -0.618 0.000 0.627 46 A CB -1.234 17.321 19.000 -0.742 0.000 0.818 46 A HN 1.568 nan 8.150 nan 0.000 0.445 47 G N -0.137 108.251 108.800 -0.686 0.000 2.422 47 G HA2 -0.224 3.734 3.960 -0.002 0.000 0.290 47 G HA3 -0.224 3.734 3.960 -0.002 0.000 0.290 47 G C -0.354 174.504 174.900 -0.069 0.000 1.059 47 G CA 0.261 45.226 45.100 -0.225 0.000 1.242 47 G HN 0.712 nan 8.290 nan 0.000 0.520 48 N N -0.368 118.243 118.700 -0.149 0.000 2.424 48 N HA 0.585 5.323 4.740 -0.002 0.000 0.257 48 N C 1.500 177.013 175.510 0.006 0.000 1.250 48 N CA 0.234 53.268 53.050 -0.026 0.000 0.946 48 N CB 0.769 39.238 38.487 -0.030 0.000 1.175 48 N HN 0.543 nan 8.380 nan 0.000 0.477 49 A N 0.485 123.306 122.820 0.001 0.000 2.132 49 A HA 0.071 4.390 4.320 -0.002 0.000 0.213 49 A C 0.085 177.672 177.584 0.006 0.000 1.154 49 A CA 0.835 52.864 52.037 -0.013 0.000 0.753 49 A CB -0.673 18.285 19.000 -0.071 0.000 0.826 49 A HN 0.859 nan 8.150 nan 0.000 0.469 50 N N -2.896 115.811 118.700 0.012 0.000 2.961 50 N HA 0.250 4.988 4.740 -0.002 0.000 0.245 50 N C -0.450 175.059 175.510 -0.001 0.000 1.404 50 N CA -0.364 52.696 53.050 0.017 0.000 0.880 50 N CB 0.295 38.795 38.487 0.023 0.000 1.461 50 N HN -0.163 nan 8.380 nan 0.000 0.510 51 E N -0.243 119.957 120.200 -0.000 0.000 2.150 51 E HA -0.028 4.321 4.350 -0.002 0.000 0.193 51 E C 1.346 177.886 176.600 -0.099 0.000 0.985 51 E CA 0.893 57.281 56.400 -0.021 0.000 0.814 51 E CB -0.107 29.600 29.700 0.011 0.000 0.752 51 E HN 0.513 nan 8.360 nan 0.000 0.466 52 L N 1.193 122.339 121.223 -0.128 0.000 1.994 52 L HA -0.165 4.173 4.340 -0.002 0.000 0.208 52 L C 1.385 178.007 176.870 -0.413 0.000 1.071 52 L CA 1.813 56.472 54.840 -0.302 0.000 0.745 52 L CB -0.666 41.243 42.059 -0.250 0.000 0.892 52 L HN 0.048 nan 8.230 nan 0.000 0.431 53 N N 0.292 118.901 118.700 -0.151 0.000 2.149 53 N HA -0.161 4.578 4.740 -0.002 0.000 0.188 53 N C 1.830 177.321 175.510 -0.032 0.000 1.019 53 N CA 1.628 54.681 53.050 0.005 0.000 0.857 53 N CB -0.622 37.903 38.487 0.065 0.000 0.997 53 N HN 0.538 nan 8.380 nan 0.000 0.426 54 A N 0.767 123.545 122.820 -0.070 0.000 1.902 54 A HA 0.037 4.356 4.320 -0.002 0.000 0.217 54 A C 2.350 179.840 177.584 -0.158 0.000 1.181 54 A CA 1.920 53.910 52.037 -0.078 0.000 0.623 54 A CB -0.867 18.111 19.000 -0.038 0.000 0.818 54 A HN 0.321 nan 8.150 nan 0.000 0.443 55 A N -1.248 121.469 122.820 -0.172 0.000 1.902 55 A HA -0.057 4.262 4.320 -0.002 0.000 0.217 55 A C 2.084 179.651 177.584 -0.028 0.000 1.181 55 A CA 1.570 53.508 52.037 -0.165 0.000 0.623 55 A CB -0.812 18.056 19.000 -0.221 0.000 0.818 55 A HN 0.525 nan 8.150 nan 0.000 0.443 56 Y N -0.017 120.272 120.300 -0.018 0.000 2.165 56 Y HA -0.153 4.395 4.550 -0.002 0.000 0.286 56 Y C 2.974 178.762 175.900 -0.186 0.000 1.155 56 Y CA 0.461 58.573 58.100 0.019 0.000 1.164 56 Y CB -1.164 37.297 38.460 0.002 0.000 0.978 56 Y HN 0.341 nan 8.280 nan 0.000 0.513 57 A N -0.160 122.575 122.820 -0.141 0.000 1.898 57 A HA -0.043 4.275 4.320 -0.002 0.000 0.216 57 A C 2.527 179.670 177.584 -0.735 0.000 1.181 57 A CA 1.751 53.528 52.037 -0.433 0.000 0.620 57 A CB -1.200 17.483 19.000 -0.529 0.000 0.819 57 A HN 0.366 nan 8.150 nan 0.000 0.442 58 A N -0.058 122.297 122.820 -0.775 0.000 1.940 58 A HA -0.256 4.062 4.320 -0.002 0.000 0.219 58 A C 1.953 179.480 177.584 -0.095 0.000 1.176 58 A CA 2.040 53.782 52.037 -0.491 0.000 0.631 58 A CB -0.648 18.245 19.000 -0.178 0.000 0.814 58 A HN 0.583 nan 8.150 nan 0.000 0.446 59 D N -0.343 120.054 120.400 -0.004 0.000 2.087 59 D HA -0.131 4.508 4.640 -0.002 0.000 0.192 59 D C 2.142 178.526 176.300 0.141 0.000 0.993 59 D CA 1.858 55.945 54.000 0.144 0.000 0.828 59 D CB -0.572 40.436 40.800 0.347 0.000 0.968 59 D HN 0.324 nan 8.370 nan 0.000 0.448 60 G N -0.769 108.068 108.800 0.062 0.000 2.440 60 G HA2 -0.322 3.636 3.960 -0.002 0.000 0.218 60 G HA3 -0.322 3.636 3.960 -0.002 0.000 0.218 60 G C 1.690 176.641 174.900 0.084 0.000 1.154 60 G CA 1.048 46.176 45.100 0.047 0.000 0.767 60 G HN 0.395 nan 8.290 nan 0.000 0.552 61 Y N 1.854 122.123 120.300 -0.052 0.000 2.114 61 Y HA -0.016 4.533 4.550 -0.002 0.000 0.284 61 Y C 3.017 178.942 175.900 0.042 0.000 1.143 61 Y CA 1.700 59.827 58.100 0.044 0.000 1.135 61 Y CB -0.420 38.127 38.460 0.144 0.000 0.980 61 Y HN 0.253 nan 8.280 nan 0.000 0.499 62 A N 0.633 123.593 122.820 0.233 0.000 1.917 62 A HA -0.269 4.049 4.320 -0.002 0.000 0.219 62 A C 2.243 179.832 177.584 0.008 0.000 1.182 62 A CA 2.104 54.217 52.037 0.126 0.000 0.633 62 A CB -0.719 18.360 19.000 0.131 0.000 0.819 62 A HN 0.581 nan 8.150 nan 0.000 0.448 63 R N -1.325 119.198 120.500 0.038 0.000 2.105 63 R HA -0.112 4.227 4.340 -0.002 0.000 0.239 63 R C 1.836 178.020 176.300 -0.193 0.000 1.135 63 R CA 1.522 57.650 56.100 0.047 0.000 0.967 63 R CB -0.405 30.041 30.300 0.244 0.000 0.861 63 R HN 0.434 nan 8.270 nan 0.000 0.442 64 L N -0.102 120.951 121.223 -0.285 0.000 2.202 64 L HA -0.003 4.336 4.340 -0.002 0.000 0.205 64 L C 1.972 178.628 176.870 -0.356 0.000 1.083 64 L CA 1.507 56.073 54.840 -0.457 0.000 0.790 64 L CB 0.036 41.877 42.059 -0.363 0.000 0.942 64 L HN -0.102 nan 8.230 nan 0.000 0.452 65 K N -1.592 118.617 120.400 -0.318 0.000 2.354 65 K HA 0.299 4.618 4.320 -0.002 0.000 0.194 65 K C 1.236 177.790 176.600 -0.077 0.000 1.045 65 K CA 0.781 56.912 56.287 -0.261 0.000 1.026 65 K CB 0.597 32.801 32.500 -0.493 0.000 0.866 65 K HN 0.202 nan 8.250 nan 0.000 0.530 66 G N 0.352 109.114 108.800 -0.064 0.000 2.349 66 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.213 66 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.213 66 G C 0.114 175.025 174.900 0.017 0.000 1.044 66 G CA 0.268 45.349 45.100 -0.030 0.000 0.633 66 G HN 0.356 nan 8.290 nan 0.000 0.506 67 M N -1.203 118.489 119.600 0.154 0.000 3.008 67 M HA 0.785 5.264 4.480 -0.002 0.000 0.271 67 M C -0.481 175.991 176.300 0.286 0.000 1.265 67 M CA -0.089 55.323 55.300 0.186 0.000 0.817 67 M CB 1.776 34.515 32.600 0.232 0.000 1.638 67 M HN 1.274 nan 8.290 nan 0.000 0.479 68 S N -0.240 115.613 115.700 0.255 0.000 2.656 68 S HA 0.823 5.291 4.470 -0.002 0.000 0.273 68 S C -1.678 173.023 174.600 0.168 0.000 1.168 68 S CA -0.745 57.626 58.200 0.284 0.000 0.817 68 S CB 1.760 65.153 63.200 0.323 0.000 1.146 68 S HN 1.292 nan 8.310 nan 0.000 0.475 69 C N 1.755 121.138 119.300 0.139 0.000 2.481 69 C HA 0.791 5.250 4.460 -0.002 0.000 0.324 69 C C -0.741 174.350 174.990 0.168 0.000 1.170 69 C CA -0.568 58.525 59.018 0.126 0.000 1.361 69 C CB -0.269 27.529 27.740 0.097 0.000 1.977 69 C HN 0.958 nan 8.230 nan 0.000 0.459 70 I N 7.073 127.737 120.570 0.157 0.000 2.433 70 I HA 0.643 4.811 4.170 -0.002 0.000 0.292 70 I C -1.069 175.194 176.117 0.243 0.000 1.001 70 I CA -0.819 60.578 61.300 0.162 0.000 1.119 70 I CB 1.220 39.238 38.000 0.030 0.000 1.289 70 I HN 0.659 nan 8.210 nan 0.000 0.438 71 I N 7.242 127.994 120.570 0.305 0.000 2.362 71 I HA 0.368 4.537 4.170 -0.002 0.000 0.289 71 I C 0.098 176.420 176.117 0.341 0.000 0.994 71 I CA -0.313 61.184 61.300 0.329 0.000 1.158 71 I CB 1.811 40.033 38.000 0.371 0.000 1.315 71 I HN 0.598 nan 8.210 nan 0.000 0.451 72 T N 0.831 115.556 114.554 0.284 0.000 2.883 72 T HA 0.654 5.002 4.350 -0.002 0.000 0.284 72 T C -0.023 174.786 174.700 0.182 0.000 1.041 72 T CA -0.737 61.515 62.100 0.254 0.000 1.007 72 T CB 1.915 70.969 68.868 0.309 0.000 1.220 72 T HN 0.556 nan 8.240 nan 0.000 0.552 73 T N -0.978 113.682 114.554 0.176 0.000 2.925 73 T HA 0.582 4.931 4.350 -0.002 0.000 0.285 73 T C -0.202 174.641 174.700 0.238 0.000 1.021 73 T CA -0.853 61.380 62.100 0.221 0.000 1.042 73 T CB 0.573 69.569 68.868 0.214 0.000 1.037 73 T HN 0.610 nan 8.240 nan 0.000 0.481 74 F N 2.555 122.613 119.950 0.180 0.000 2.480 74 F HA 0.241 4.766 4.527 -0.002 0.000 0.409 74 F C 1.574 177.396 175.800 0.036 0.000 0.979 74 F CA 1.862 59.958 58.000 0.160 0.000 1.184 74 F CB -0.687 38.438 39.000 0.208 0.000 0.925 74 F HN 1.272 nan 8.300 nan 0.000 0.543 75 G N 4.064 112.318 108.800 -0.911 0.000 4.430 75 G HA2 -0.413 3.546 3.960 -0.002 0.000 0.332 75 G HA3 -0.413 3.546 3.960 -0.002 0.000 0.332 75 G C 1.165 175.698 174.900 -0.612 0.000 1.338 75 G CA 1.547 45.838 45.100 -1.349 0.000 1.024 75 G HN 1.671 nan 8.290 nan 0.000 0.750 76 V N -0.124 119.617 119.914 -0.289 0.000 2.392 76 V HA 0.173 4.292 4.120 -0.002 0.000 0.249 76 V C 2.743 178.798 176.094 -0.065 0.000 1.059 76 V CA 2.912 65.135 62.300 -0.128 0.000 1.051 76 V CB -1.484 30.321 31.823 -0.029 0.000 0.658 76 V HN 1.584 nan 8.190 nan 0.000 0.455 77 G N 1.291 110.080 108.800 -0.019 0.000 2.404 77 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.213 77 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.213 77 G C 1.494 176.436 174.900 0.070 0.000 1.189 77 G CA 0.771 45.901 45.100 0.049 0.000 0.796 77 G HN 0.765 nan 8.290 nan 0.000 0.532 78 E N 0.509 120.748 120.200 0.066 0.000 2.110 78 E HA -0.062 4.287 4.350 -0.002 0.000 0.193 78 E C 2.397 179.076 176.600 0.132 0.000 0.988 78 E CA 0.684 57.200 56.400 0.193 0.000 0.804 78 E CB -0.512 29.267 29.700 0.132 0.000 0.745 78 E HN 0.406 nan 8.360 nan 0.000 0.458 79 L N 1.351 122.558 121.223 -0.027 0.000 2.131 79 L HA -0.124 4.215 4.340 -0.002 0.000 0.210 79 L C 2.521 179.394 176.870 0.006 0.000 1.092 79 L CA 1.148 55.974 54.840 -0.023 0.000 0.759 79 L CB -0.302 41.686 42.059 -0.119 0.000 0.903 79 L HN 0.167 nan 8.230 nan 0.000 0.435 80 S N -0.053 115.645 115.700 -0.003 0.000 2.423 80 S HA -0.100 4.369 4.470 -0.002 0.000 0.231 80 S C 2.053 176.637 174.600 -0.027 0.000 1.014 80 S CA 1.073 59.270 58.200 -0.005 0.000 0.965 80 S CB -0.127 63.072 63.200 -0.002 0.000 0.785 80 S HN 0.504 nan 8.310 nan 0.000 0.495 81 A N 0.892 123.702 122.820 -0.018 0.000 2.119 81 A HA 0.165 4.483 4.320 -0.002 0.000 0.216 81 A C 1.808 179.352 177.584 -0.067 0.000 1.152 81 A CA 0.439 52.423 52.037 -0.090 0.000 0.708 81 A CB -0.377 18.536 19.000 -0.145 0.000 0.805 81 A HN 0.334 nan 8.150 nan 0.000 0.460 82 L N 0.579 121.810 121.223 0.013 0.000 2.043 82 L HA -0.217 4.122 4.340 -0.002 0.000 0.212 82 L C 2.185 179.075 176.870 0.034 0.000 1.075 82 L CA 2.211 57.076 54.840 0.042 0.000 0.752 82 L CB -1.204 40.898 42.059 0.071 0.000 0.891 82 L HN 0.590 nan 8.230 nan 0.000 0.432 83 N N -0.545 118.195 118.700 0.066 0.000 2.244 83 N HA -0.117 4.622 4.740 -0.002 0.000 0.183 83 N C 1.904 177.518 175.510 0.174 0.000 1.016 83 N CA 1.276 54.441 53.050 0.192 0.000 0.866 83 N CB -0.299 38.347 38.487 0.265 0.000 0.980 83 N HN 0.292 nan 8.380 nan 0.000 0.430 84 G N 0.733 109.522 108.800 -0.017 0.000 2.418 84 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.217 84 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.217 84 G C 1.377 176.274 174.900 -0.006 0.000 1.158 84 G CA 0.681 45.794 45.100 0.022 0.000 0.771 84 G HN 0.265 nan 8.290 nan 0.000 0.545 85 I N 1.877 122.407 120.570 -0.067 0.000 2.286 85 I HA -0.109 4.059 4.170 -0.002 0.000 0.248 85 I C 3.234 179.272 176.117 -0.132 0.000 1.115 85 I CA 1.168 62.431 61.300 -0.063 0.000 1.392 85 I CB -1.313 36.681 38.000 -0.010 0.000 1.065 85 I HN 0.259 nan 8.210 nan 0.000 0.418 86 A N 1.171 123.846 122.820 -0.240 0.000 1.902 86 A HA -0.099 4.219 4.320 -0.002 0.000 0.217 86 A C 2.541 179.499 177.584 -1.043 0.000 1.181 86 A CA 1.842 53.559 52.037 -0.533 0.000 0.623 86 A CB -1.370 17.335 19.000 -0.491 0.000 0.818 86 A HN 0.414 nan 8.150 nan 0.000 0.443 87 G N -0.509 107.554 108.800 -1.230 0.000 2.476 87 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.218 87 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.218 87 G C 1.818 176.449 174.900 -0.450 0.000 1.164 87 G CA 1.460 45.868 45.100 -1.152 0.000 0.768 87 G HN 0.506 nan 8.290 nan 0.000 0.560 88 S N -0.584 114.982 115.700 -0.224 0.000 2.402 88 S HA -0.091 4.377 4.470 -0.002 0.000 0.229 88 S C 1.917 176.462 174.600 -0.091 0.000 1.021 88 S CA 1.053 59.202 58.200 -0.084 0.000 0.974 88 S CB -0.368 62.828 63.200 -0.006 0.000 0.800 88 S HN 0.544 nan 8.310 nan 0.000 0.484 89 Y N 2.252 122.403 120.300 -0.248 0.000 2.163 89 Y HA -0.050 4.498 4.550 -0.002 0.000 0.288 89 Y C 2.431 178.204 175.900 -0.212 0.000 1.136 89 Y CA 1.048 59.008 58.100 -0.233 0.000 1.147 89 Y CB -0.611 37.709 38.460 -0.233 0.000 0.987 89 Y HN 0.222 nan 8.280 nan 0.000 0.509 90 A N 0.094 122.848 122.820 -0.110 0.000 1.933 90 A HA -0.157 4.162 4.320 -0.002 0.000 0.218 90 A C 1.823 179.435 177.584 0.046 0.000 1.175 90 A CA 1.894 53.910 52.037 -0.034 0.000 0.628 90 A CB -0.459 18.507 19.000 -0.057 0.000 0.814 90 A HN 0.629 nan 8.150 nan 0.000 0.444 91 E N -0.994 119.203 120.200 -0.005 0.000 2.476 91 E HA 0.093 4.442 4.350 -0.002 0.000 0.196 91 E C -0.967 175.705 176.600 0.121 0.000 1.029 91 E CA -0.283 56.132 56.400 0.025 0.000 0.896 91 E CB -0.124 29.543 29.700 -0.055 0.000 1.012 91 E HN 0.743 nan 8.360 nan 0.000 0.475 92 H N -0.225 118.756 119.070 -0.149 0.000 2.702 92 H HA -0.119 4.435 4.556 -0.002 0.000 0.328 92 H C -0.758 174.508 175.328 -0.103 0.000 1.111 92 H CA -0.152 55.815 56.048 -0.135 0.000 1.109 92 H CB -1.615 28.100 29.762 -0.078 0.000 1.606 92 H HN -0.045 nan 8.280 nan 0.000 0.399 93 V N 0.527 120.440 119.914 -0.001 0.000 2.459 93 V HA 0.391 4.510 4.120 -0.002 0.000 0.295 93 V C 1.100 177.191 176.094 -0.005 0.000 1.029 93 V CA -0.121 62.182 62.300 0.005 0.000 0.874 93 V CB 2.040 33.891 31.823 0.047 0.000 0.985 93 V HN 0.602 nan 8.190 nan 0.000 0.438 94 G N 3.704 112.499 108.800 -0.009 0.000 2.519 94 G HA2 0.467 4.426 3.960 -0.002 0.000 0.306 94 G HA3 0.467 4.426 3.960 -0.002 0.000 0.306 94 G C -0.603 174.338 174.900 0.068 0.000 0.965 94 G CA -0.057 45.053 45.100 0.017 0.000 1.291 94 G HN 0.516 nan 8.290 nan 0.000 0.450 95 V N 4.301 124.260 119.914 0.075 0.000 2.444 95 V HA 0.303 4.422 4.120 -0.002 0.000 0.294 95 V C -0.258 175.900 176.094 0.107 0.000 1.022 95 V CA -0.900 61.454 62.300 0.090 0.000 0.850 95 V CB 1.618 33.478 31.823 0.062 0.000 0.992 95 V HN 0.638 nan 8.190 nan 0.000 0.426 96 L N 5.248 126.540 121.223 0.115 0.000 2.265 96 L HA 0.477 4.816 4.340 -0.002 0.000 0.288 96 L C -0.180 176.777 176.870 0.145 0.000 1.058 96 L CA 0.309 55.218 54.840 0.116 0.000 0.809 96 L CB 0.564 42.675 42.059 0.086 0.000 1.179 96 L HN 0.750 nan 8.230 nan 0.000 0.429 97 H N 4.711 123.790 119.070 0.014 0.000 2.595 97 H HA 0.522 5.077 4.556 -0.002 0.000 0.313 97 H C -1.301 173.943 175.328 -0.140 0.000 1.023 97 H CA -1.009 55.025 56.048 -0.023 0.000 1.218 97 H CB 1.130 30.901 29.762 0.015 0.000 1.403 97 H HN 0.507 nan 8.280 nan 0.000 0.477 98 V N 6.566 126.498 119.914 0.031 0.000 2.439 98 V HA 0.172 4.291 4.120 -0.002 0.000 0.282 98 V C -0.156 175.813 176.094 -0.209 0.000 1.039 98 V CA -0.676 61.532 62.300 -0.155 0.000 0.913 98 V CB 1.426 33.209 31.823 -0.066 0.000 0.983 98 V HN 0.484 nan 8.190 nan 0.000 0.460 99 V N 3.725 123.404 119.914 -0.392 0.000 2.409 99 V HA 0.588 4.707 4.120 -0.002 0.000 0.291 99 V C 0.786 176.831 176.094 -0.082 0.000 1.020 99 V CA -0.542 61.614 62.300 -0.239 0.000 0.848 99 V CB 1.629 33.238 31.823 -0.355 0.000 0.990 99 V HN 0.962 nan 8.190 nan 0.000 0.430 100 G N 3.724 112.547 108.800 0.039 0.000 2.361 100 G HA2 0.508 4.467 3.960 -0.002 0.000 0.260 100 G HA3 0.508 4.467 3.960 -0.002 0.000 0.260 100 G C -0.210 174.765 174.900 0.125 0.000 1.261 100 G CA 0.054 45.200 45.100 0.078 0.000 0.897 100 G HN 0.986 nan 8.290 nan 0.000 0.499 101 V N 0.747 120.638 119.914 -0.039 0.000 3.113 101 V HA 0.816 4.935 4.120 -0.002 0.000 0.316 101 V C -2.614 173.041 176.094 -0.732 0.000 1.125 101 V CA -2.936 59.179 62.300 -0.308 0.000 1.026 101 V CB 2.070 33.794 31.823 -0.165 0.000 1.080 101 V HN 0.479 nan 8.190 nan 0.000 0.444 102 P HA 0.240 nan 4.420 nan 0.000 0.270 102 P C -0.083 176.904 177.300 -0.522 0.000 1.223 102 P CA 0.263 62.652 63.100 -1.185 0.000 0.785 102 P CB 0.345 31.373 31.700 -1.121 0.000 0.923 103 S N -0.127 115.393 115.700 -0.302 0.000 2.580 103 S HA 0.217 4.686 4.470 -0.002 0.000 0.266 103 S C 0.617 175.105 174.600 -0.187 0.000 1.354 103 S CA -0.603 57.491 58.200 -0.178 0.000 1.008 103 S CB -0.010 63.139 63.200 -0.084 0.000 0.898 103 S HN 0.382 nan 8.310 nan 0.000 0.555 108 A N 0.589 123.345 122.820 -0.107 0.000 2.910 108 A HA -0.432 3.886 4.320 -0.002 0.000 0.267 108 A C 1.406 178.880 177.584 -0.184 0.000 1.310 108 A CA 1.985 53.885 52.037 -0.228 0.000 0.934 108 A CB -1.901 16.866 19.000 -0.388 0.000 1.057 108 A HN 0.300 nan 8.150 nan 0.000 0.742 109 K N -1.232 119.114 120.400 -0.090 0.000 2.097 109 K HA -0.293 4.026 4.320 -0.002 0.000 0.214 109 K C 2.079 178.644 176.600 -0.058 0.000 1.052 109 K CA 2.369 58.625 56.287 -0.051 0.000 0.932 109 K CB -0.139 32.342 32.500 -0.031 0.000 0.716 109 K HN 0.631 nan 8.250 nan 0.000 0.455 110 Q N -0.207 119.553 119.800 -0.067 0.000 2.137 110 Q HA -0.066 4.273 4.340 -0.002 0.000 0.198 110 Q C 2.007 178.007 176.000 0.001 0.000 0.960 110 Q CA 0.762 56.566 55.803 0.001 0.000 0.847 110 Q CB -0.360 28.395 28.738 0.029 0.000 0.915 110 Q HN 0.264 nan 8.270 nan 0.000 0.448 111 L N 0.549 121.657 121.223 -0.192 0.000 2.042 111 L HA -0.152 4.186 4.340 -0.002 0.000 0.210 111 L C 1.880 178.658 176.870 -0.154 0.000 1.076 111 L CA 1.468 56.100 54.840 -0.346 0.000 0.749 111 L CB -0.887 40.746 42.059 -0.711 0.000 0.893 111 L HN 0.160 nan 8.230 nan 0.000 0.432 112 L N -0.951 120.214 121.223 -0.097 0.000 2.046 112 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 112 L C 2.581 179.513 176.870 0.104 0.000 1.077 112 L CA 1.599 56.497 54.840 0.097 0.000 0.747 112 L CB -1.323 40.789 42.059 0.089 0.000 0.896 112 L HN 0.315 nan 8.230 nan 0.000 0.432 113 L N -1.407 119.823 121.223 0.013 0.000 2.017 113 L HA -0.247 4.091 4.340 -0.002 0.000 0.208 113 L C 2.413 179.244 176.870 -0.065 0.000 1.073 113 L CA 1.331 56.130 54.840 -0.069 0.000 0.745 113 L CB -0.651 41.294 42.059 -0.190 0.000 0.894 113 L HN 0.342 nan 8.230 nan 0.000 0.432 114 H N -2.973 116.161 119.070 0.107 0.000 2.547 114 H HA -0.054 4.500 4.556 -0.002 0.000 0.272 114 H C 0.455 175.976 175.328 0.322 0.000 0.989 114 H CA 0.163 56.327 56.048 0.194 0.000 1.214 114 H CB -0.061 29.803 29.762 0.170 0.000 1.389 114 H HN 0.237 nan 8.280 nan 0.000 0.577 115 H N 0.159 119.421 119.070 0.321 0.000 2.820 115 H HA 0.153 4.708 4.556 -0.002 0.000 0.278 115 H C 0.291 175.814 175.328 0.324 0.000 1.142 115 H CA -0.197 56.124 56.048 0.456 0.000 1.346 115 H CB 0.569 30.592 29.762 0.435 0.000 1.438 115 H HN 0.014 nan 8.280 nan 0.000 0.473 116 T N 5.500 120.038 114.554 -0.026 0.000 3.069 116 T HA -0.041 4.308 4.350 -0.002 0.000 0.252 116 T C 1.889 176.502 174.700 -0.145 0.000 1.053 116 T CA -0.077 61.998 62.100 -0.042 0.000 0.964 116 T CB -0.001 68.914 68.868 0.078 0.000 1.005 116 T HN 0.439 nan 8.240 nan 0.000 0.532 117 L N 2.179 123.190 121.223 -0.353 0.000 2.137 117 L HA -0.003 4.336 4.340 -0.002 0.000 0.213 117 L C 1.784 178.608 176.870 -0.077 0.000 1.085 117 L CA 2.168 56.916 54.840 -0.153 0.000 0.760 117 L CB -0.787 41.255 42.059 -0.028 0.000 0.893 117 L HN 0.500 nan 8.230 nan 0.000 0.434 118 G N -1.530 107.215 108.800 -0.092 0.000 2.132 118 G HA2 -0.302 3.656 3.960 -0.002 0.000 0.234 118 G HA3 -0.302 3.656 3.960 -0.002 0.000 0.234 118 G C 0.062 174.981 174.900 0.031 0.000 0.989 118 G CA 0.430 45.529 45.100 -0.001 0.000 0.676 118 G HN 0.760 nan 8.290 nan 0.000 0.522 119 N N -0.048 118.690 118.700 0.063 0.000 2.566 119 N HA 0.659 5.398 4.740 -0.002 0.000 0.299 119 N C 0.679 176.244 175.510 0.092 0.000 1.277 119 N CA -0.403 52.684 53.050 0.061 0.000 0.965 119 N CB 0.432 38.939 38.487 0.033 0.000 1.142 119 N HN 0.644 nan 8.380 nan 0.000 0.596 120 G N -1.209 107.602 108.800 0.019 0.000 4.477 120 G HA2 0.345 4.304 3.960 -0.002 0.000 0.319 120 G HA3 0.345 4.304 3.960 -0.002 0.000 0.319 120 G C -1.094 173.710 174.900 -0.161 0.000 1.391 120 G CA -0.201 44.890 45.100 -0.015 0.000 1.261 120 G HN 0.644 nan 8.290 nan 0.000 0.556 121 D N 0.975 121.240 120.400 -0.224 0.000 2.684 121 D HA 0.027 4.666 4.640 -0.002 0.000 0.233 121 D C 0.804 176.706 176.300 -0.663 0.000 1.374 121 D CA -0.696 53.008 54.000 -0.492 0.000 0.906 121 D CB -0.255 40.360 40.800 -0.308 0.000 1.526 121 D HN 0.138 nan 8.370 nan 0.000 0.518 122 F N 0.319 119.939 119.950 -0.551 0.000 2.802 122 F HA 0.131 4.657 4.527 -0.002 0.000 0.300 122 F C 1.910 177.537 175.800 -0.289 0.000 1.168 122 F CA 0.658 58.231 58.000 -0.712 0.000 1.433 122 F CB -0.941 37.823 39.000 -0.393 0.000 1.115 122 F HN 0.190 nan 8.300 nan 0.000 0.582 123 T N -3.225 111.198 114.554 -0.218 0.000 3.129 123 T HA 0.051 4.400 4.350 -0.002 0.000 0.251 123 T C 1.810 176.399 174.700 -0.184 0.000 1.117 123 T CA 0.636 62.697 62.100 -0.064 0.000 1.034 123 T CB -0.530 68.257 68.868 -0.135 0.000 0.968 123 T HN 0.228 nan 8.240 nan 0.000 0.526 124 V N 1.033 120.727 119.914 -0.367 0.000 2.287 124 V HA -0.113 4.006 4.120 -0.002 0.000 0.248 124 V C 2.027 177.952 176.094 -0.283 0.000 1.053 124 V CA 1.890 63.956 62.300 -0.391 0.000 1.027 124 V CB -0.836 30.693 31.823 -0.490 0.000 0.646 124 V HN 0.519 nan 8.190 nan 0.000 0.447 125 F N 0.433 120.394 119.950 0.018 0.000 2.146 125 F HA -0.058 4.468 4.527 -0.002 0.000 0.298 125 F C 2.451 178.239 175.800 -0.021 0.000 1.096 125 F CA 1.807 59.809 58.000 0.003 0.000 1.275 125 F CB -1.593 37.387 39.000 -0.032 0.000 1.008 125 F HN 0.404 nan 8.300 nan 0.000 0.480 126 H N 0.668 119.728 119.070 -0.017 0.000 2.352 126 H HA -0.120 4.435 4.556 -0.002 0.000 0.299 126 H C 2.368 177.482 175.328 -0.356 0.000 1.097 126 H CA 1.537 57.353 56.048 -0.387 0.000 1.311 126 H CB 0.056 29.734 29.762 -0.141 0.000 1.377 126 H HN 0.168 nan 8.280 nan 0.000 0.504 127 R N -0.229 120.099 120.500 -0.287 0.000 2.092 127 R HA -0.090 4.248 4.340 -0.002 0.000 0.231 127 R C 2.649 178.841 176.300 -0.181 0.000 1.119 127 R CA 1.459 57.376 56.100 -0.304 0.000 0.970 127 R CB -0.046 30.097 30.300 -0.261 0.000 0.864 127 R HN 0.407 nan 8.270 nan 0.000 0.440 128 M N -0.214 119.326 119.600 -0.101 0.000 2.086 128 M HA -0.173 4.305 4.480 -0.002 0.000 0.261 128 M C 2.279 178.539 176.300 -0.067 0.000 1.067 128 M CA 1.605 56.877 55.300 -0.046 0.000 1.116 128 M CB -0.140 32.486 32.600 0.044 0.000 1.348 128 M HN 0.033 nan 8.290 nan 0.000 0.407 129 S N 0.287 115.934 115.700 -0.089 0.000 2.399 129 S HA -0.120 4.348 4.470 -0.002 0.000 0.231 129 S C 1.982 176.506 174.600 -0.127 0.000 1.022 129 S CA 1.558 59.703 58.200 -0.092 0.000 0.983 129 S CB -0.403 62.706 63.200 -0.151 0.000 0.803 129 S HN 0.653 nan 8.310 nan 0.000 0.480 130 S N 2.439 118.037 115.700 -0.170 0.000 2.442 130 S HA -0.087 4.382 4.470 -0.002 0.000 0.236 130 S C 1.511 176.026 174.600 -0.141 0.000 1.007 130 S CA 0.881 59.006 58.200 -0.125 0.000 0.965 130 S CB -0.489 62.619 63.200 -0.153 0.000 0.773 130 S HN 0.463 nan 8.310 nan 0.000 0.504 131 N N 1.990 120.591 118.700 -0.166 0.000 2.381 131 N HA 0.029 4.768 4.740 -0.002 0.000 0.182 131 N C 1.405 176.683 175.510 -0.386 0.000 1.025 131 N CA 1.602 54.526 53.050 -0.209 0.000 0.888 131 N CB -0.216 38.176 38.487 -0.158 0.000 0.965 131 N HN 0.840 nan 8.380 nan 0.000 0.438 132 I N -3.157 117.186 120.570 -0.378 0.000 3.833 132 I HA 0.350 4.519 4.170 -0.002 0.000 0.328 132 I C -0.488 175.404 176.117 -0.374 0.000 1.554 132 I CA -0.375 60.548 61.300 -0.629 0.000 1.116 132 I CB 0.491 38.276 38.000 -0.359 0.000 1.182 132 I HN -0.293 nan 8.210 nan 0.000 0.459 133 S N 1.010 116.603 115.700 -0.178 0.000 2.532 133 S HA 0.284 4.752 4.470 -0.002 0.000 0.301 133 S C 0.681 175.399 174.600 0.196 0.000 1.083 133 S CA -0.409 57.850 58.200 0.098 0.000 1.025 133 S CB 2.609 65.875 63.200 0.109 0.000 1.056 133 S HN 0.361 nan 8.310 nan 0.000 0.494 134 E N 1.943 122.289 120.200 0.243 0.000 2.072 134 E HA -0.054 4.295 4.350 -0.002 0.000 0.191 134 E C 0.789 177.465 176.600 0.126 0.000 0.985 134 E CA 1.464 57.974 56.400 0.183 0.000 0.801 134 E CB 0.176 29.940 29.700 0.107 0.000 0.750 134 E HN 0.789 nan 8.360 nan 0.000 0.452 135 T N -3.520 111.108 114.554 0.124 0.000 2.739 135 T HA 0.589 4.937 4.350 -0.002 0.000 0.303 135 T C -0.514 174.271 174.700 0.141 0.000 1.389 135 T CA -0.353 61.814 62.100 0.111 0.000 1.001 135 T CB 1.470 70.396 68.868 0.095 0.000 1.436 135 T HN 0.145 nan 8.240 nan 0.000 0.500 136 T N -1.722 112.921 114.554 0.149 0.000 2.883 136 T HA 0.860 5.209 4.350 -0.002 0.000 0.301 136 T C -0.910 173.879 174.700 0.148 0.000 1.158 136 T CA -0.484 61.734 62.100 0.198 0.000 1.007 136 T CB 1.494 70.524 68.868 0.269 0.000 1.186 136 T HN 1.758 nan 8.240 nan 0.000 0.499 137 A N 2.555 125.440 122.820 0.107 0.000 2.515 137 A HA 0.816 5.135 4.320 -0.002 0.000 0.298 137 A C -0.990 176.577 177.584 -0.028 0.000 1.059 137 A CA -0.927 51.138 52.037 0.046 0.000 0.698 137 A CB 1.942 20.961 19.000 0.031 0.000 1.289 137 A HN 0.805 nan 8.150 nan 0.000 0.404 138 M N 3.471 123.058 119.600 -0.021 0.000 2.067 138 M HA 0.317 4.796 4.480 -0.002 0.000 0.286 138 M C -0.941 175.347 176.300 -0.021 0.000 0.922 138 M CA -0.444 54.830 55.300 -0.043 0.000 0.937 138 M CB 1.052 33.643 32.600 -0.014 0.000 1.550 138 M HN 0.587 nan 8.290 nan 0.000 0.433 139 I N 3.546 124.090 120.570 -0.044 0.000 2.618 139 I HA 0.091 4.260 4.170 -0.002 0.000 0.284 139 I C 1.461 177.550 176.117 -0.047 0.000 1.146 139 I CA 0.617 61.889 61.300 -0.046 0.000 1.425 139 I CB 0.541 38.503 38.000 -0.062 0.000 1.383 139 I HN 0.722 nan 8.210 nan 0.000 0.562 140 T N -0.212 114.317 114.554 -0.040 0.000 2.966 140 T HA 0.149 4.498 4.350 -0.002 0.000 0.254 140 T C 0.240 174.913 174.700 -0.046 0.000 0.961 140 T CA -0.191 61.883 62.100 -0.043 0.000 0.915 140 T CB 0.585 69.437 68.868 -0.026 0.000 1.186 140 T HN 0.482 nan 8.240 nan 0.000 0.505 141 D N 0.324 120.697 120.400 -0.046 0.000 2.629 141 D HA 0.385 5.023 4.640 -0.002 0.000 0.250 141 D C 0.470 176.734 176.300 -0.061 0.000 1.126 141 D CA -0.807 53.165 54.000 -0.047 0.000 0.852 141 D CB 2.084 42.862 40.800 -0.037 0.000 1.335 141 D HN -0.000 nan 8.370 nan 0.000 0.518 142 I N 3.849 124.380 120.570 -0.064 0.000 2.493 142 I HA -0.119 4.050 4.170 -0.002 0.000 0.254 142 I C 1.350 177.413 176.117 -0.091 0.000 1.160 142 I CA 1.111 62.362 61.300 -0.081 0.000 1.445 142 I CB -0.169 37.788 38.000 -0.071 0.000 1.086 142 I HN 0.341 nan 8.210 nan 0.000 0.433 143 N N -0.088 118.570 118.700 -0.070 0.000 2.331 143 N HA -0.093 4.646 4.740 -0.002 0.000 0.180 143 N C 1.687 177.154 175.510 -0.072 0.000 1.019 143 N CA 1.795 54.805 53.050 -0.067 0.000 0.881 143 N CB -0.504 37.955 38.487 -0.047 0.000 0.972 143 N HN 0.565 nan 8.380 nan 0.000 0.435 144 T N -3.046 111.468 114.554 -0.067 0.000 3.023 144 T HA 0.437 4.785 4.350 -0.002 0.000 0.253 144 T C 1.870 176.524 174.700 -0.075 0.000 1.038 144 T CA 0.309 62.374 62.100 -0.058 0.000 0.962 144 T CB 0.229 69.075 68.868 -0.035 0.000 1.018 144 T HN 0.079 nan 8.240 nan 0.000 0.521 145 A N 3.211 125.969 122.820 -0.102 0.000 1.892 145 A HA 0.052 4.371 4.320 -0.002 0.000 0.218 145 A C 0.190 177.677 177.584 -0.162 0.000 1.188 145 A CA 1.472 53.437 52.037 -0.120 0.000 0.631 145 A CB -1.661 17.257 19.000 -0.137 0.000 0.822 145 A HN 0.472 nan 8.150 nan 0.000 0.447 146 P HA -0.121 nan 4.420 nan 0.000 0.215 146 P C 1.751 179.011 177.300 -0.067 0.000 1.157 146 P CA 1.981 64.833 63.100 -0.413 0.000 0.868 146 P CB -0.168 31.127 31.700 -0.676 0.000 0.788 147 A N -0.059 122.734 122.820 -0.044 0.000 1.940 147 A HA -0.223 4.096 4.320 -0.002 0.000 0.219 147 A C 2.230 179.829 177.584 0.026 0.000 1.176 147 A CA 1.567 53.612 52.037 0.014 0.000 0.631 147 A CB -1.098 17.903 19.000 0.002 0.000 0.814 147 A HN 0.081 nan 8.150 nan 0.000 0.446 148 E N -0.066 120.136 120.200 0.003 0.000 2.072 148 E HA -0.117 4.232 4.350 -0.002 0.000 0.191 148 E C 2.030 178.646 176.600 0.027 0.000 0.985 148 E CA 0.899 57.307 56.400 0.012 0.000 0.801 148 E CB -0.362 29.335 29.700 -0.006 0.000 0.750 148 E HN 0.725 nan 8.360 nan 0.000 0.452 149 I N 1.665 122.256 120.570 0.035 0.000 2.127 149 I HA -0.304 3.864 4.170 -0.002 0.000 0.241 149 I C 1.926 178.093 176.117 0.084 0.000 1.075 149 I CA 1.381 62.722 61.300 0.069 0.000 1.334 149 I CB -0.367 37.723 38.000 0.150 0.000 1.040 149 I HN -0.010 nan 8.210 nan 0.000 0.405 150 D N 0.378 120.848 120.400 0.116 0.000 2.104 150 D HA -0.207 4.432 4.640 -0.002 0.000 0.194 150 D C 2.176 178.512 176.300 0.060 0.000 0.994 150 D CA 1.130 55.181 54.000 0.085 0.000 0.830 150 D CB -0.366 40.493 40.800 0.099 0.000 0.959 150 D HN 0.246 nan 8.370 nan 0.000 0.452 151 R N 0.257 120.792 120.500 0.058 0.000 2.083 151 R HA -0.134 4.205 4.340 -0.002 0.000 0.237 151 R C 2.228 178.566 176.300 0.063 0.000 1.137 151 R CA 1.579 57.713 56.100 0.056 0.000 0.951 151 R CB -0.496 29.834 30.300 0.050 0.000 0.851 151 R HN 0.184 nan 8.270 nan 0.000 0.434 152 C N 0.333 119.667 119.300 0.058 0.000 2.413 152 C HA -0.080 4.379 4.460 -0.002 0.000 0.276 152 C C 2.574 177.607 174.990 0.071 0.000 1.248 152 C CA 0.555 59.611 59.018 0.063 0.000 1.742 152 C CB -0.801 26.966 27.740 0.046 0.000 2.017 152 C HN 0.529 nan 8.230 nan 0.000 0.481 153 I N 0.286 120.892 120.570 0.060 0.000 2.163 153 I HA -0.187 3.982 4.170 -0.002 0.000 0.240 153 I C 2.844 179.018 176.117 0.095 0.000 1.081 153 I CA 1.418 62.757 61.300 0.065 0.000 1.353 153 I CB -0.692 37.322 38.000 0.024 0.000 1.054 153 I HN 0.328 nan 8.210 nan 0.000 0.407 154 R N 0.807 121.354 120.500 0.077 0.000 2.115 154 R HA -0.220 4.119 4.340 -0.002 0.000 0.239 154 R C 2.279 178.665 176.300 0.145 0.000 1.133 154 R CA 2.655 58.814 56.100 0.099 0.000 0.935 154 R CB -0.456 29.888 30.300 0.074 0.000 0.853 154 R HN 0.261 nan 8.270 nan 0.000 0.433 155 T N -0.092 114.532 114.554 0.116 0.000 2.788 155 T HA -0.099 4.250 4.350 -0.002 0.000 0.268 155 T C 1.730 176.502 174.700 0.121 0.000 1.044 155 T CA 1.781 63.949 62.100 0.113 0.000 1.139 155 T CB -0.330 68.594 68.868 0.093 0.000 0.867 155 T HN 0.435 nan 8.240 nan 0.000 0.454 156 T N 0.883 115.513 114.554 0.126 0.000 2.684 156 T HA -0.127 4.221 4.350 -0.002 0.000 0.267 156 T C 1.610 176.389 174.700 0.132 0.000 1.036 156 T CA 1.338 63.510 62.100 0.120 0.000 1.148 156 T CB -0.501 68.442 68.868 0.125 0.000 0.863 156 T HN 0.473 nan 8.240 nan 0.000 0.436 157 Y N 1.299 121.629 120.300 0.051 0.000 2.163 157 Y HA -0.102 4.447 4.550 -0.002 0.000 0.288 157 Y C 2.348 178.285 175.900 0.061 0.000 1.136 157 Y CA 0.903 59.029 58.100 0.045 0.000 1.147 157 Y CB -0.349 38.136 38.460 0.041 0.000 0.987 157 Y HN -0.044 nan 8.280 nan 0.000 0.509 158 V N -0.281 119.778 119.914 0.243 0.000 2.379 158 V HA -0.228 3.891 4.120 -0.002 0.000 0.245 158 V C 2.487 178.676 176.094 0.158 0.000 1.044 158 V CA 1.962 64.378 62.300 0.194 0.000 1.036 158 V CB -0.865 31.081 31.823 0.205 0.000 0.664 158 V HN 0.603 nan 8.190 nan 0.000 0.453 159 S N -1.309 114.466 115.700 0.125 0.000 2.461 159 S HA -0.142 4.327 4.470 -0.002 0.000 0.228 159 S C 1.094 175.754 174.600 0.099 0.000 1.005 159 S CA 0.289 58.556 58.200 0.111 0.000 0.942 159 S CB -0.234 63.001 63.200 0.059 0.000 0.776 159 S HN 0.571 nan 8.310 nan 0.000 0.514 160 Q N 0.694 120.506 119.800 0.021 0.000 2.453 160 Q HA -0.139 4.199 4.340 -0.002 0.000 0.294 160 Q C -0.644 175.309 176.000 -0.078 0.000 1.295 160 Q CA 0.941 56.705 55.803 -0.065 0.000 0.853 160 Q CB -1.342 27.285 28.738 -0.186 0.000 1.193 160 Q HN 0.702 nan 8.270 nan 0.000 0.461 161 R N -0.793 119.663 120.500 -0.074 0.000 2.808 161 R HA 0.556 4.895 4.340 -0.002 0.000 0.272 161 R C -2.571 173.744 176.300 0.024 0.000 0.995 161 R CA -2.099 53.931 56.100 -0.116 0.000 0.917 161 R CB 1.527 31.666 30.300 -0.269 0.000 1.217 161 R HN -0.143 nan 8.270 nan 0.000 0.471 162 P HA 0.107 nan 4.420 nan 0.000 0.269 162 P C -0.773 176.625 177.300 0.163 0.000 1.215 162 P CA -0.215 62.964 63.100 0.132 0.000 0.780 162 P CB 0.629 32.418 31.700 0.149 0.000 0.898 163 V N 2.270 122.284 119.914 0.167 0.000 2.789 163 V HA 0.351 4.470 4.120 -0.002 0.000 0.311 163 V C -1.090 175.136 176.094 0.220 0.000 1.073 163 V CA -0.645 61.761 62.300 0.176 0.000 0.921 163 V CB 1.941 33.842 31.823 0.130 0.000 1.009 163 V HN 0.409 nan 8.190 nan 0.000 0.426 164 Y N 4.700 125.043 120.300 0.071 0.000 2.335 164 Y HA 0.763 5.312 4.550 -0.002 0.000 0.338 164 Y C -0.912 174.962 175.900 -0.042 0.000 0.977 164 Y CA -0.779 57.335 58.100 0.024 0.000 1.114 164 Y CB 1.680 40.152 38.460 0.021 0.000 1.182 164 Y HN 0.580 nan 8.280 nan 0.000 0.463 165 L N 6.842 127.859 121.223 -0.344 0.000 2.377 165 L HA 0.693 5.032 4.340 -0.002 0.000 0.270 165 L C -0.431 176.192 176.870 -0.413 0.000 0.991 165 L CA -0.272 54.419 54.840 -0.249 0.000 0.851 165 L CB 1.243 43.225 42.059 -0.129 0.000 1.218 165 L HN 0.766 nan 8.230 nan 0.000 0.420 166 G N 4.615 113.239 108.800 -0.292 0.000 2.339 166 G HA2 0.506 4.465 3.960 -0.002 0.000 0.287 166 G HA3 0.506 4.465 3.960 -0.002 0.000 0.287 166 G C -1.252 173.566 174.900 -0.137 0.000 1.163 166 G CA -0.326 44.644 45.100 -0.216 0.000 0.872 166 G HN 0.481 nan 8.290 nan 0.000 0.464 167 L N 4.875 126.024 121.223 -0.124 0.000 2.353 167 L HA 0.425 4.764 4.340 -0.002 0.000 0.270 167 L C -2.207 174.611 176.870 -0.087 0.000 1.003 167 L CA -2.173 52.609 54.840 -0.097 0.000 0.862 167 L CB 2.246 44.248 42.059 -0.094 0.000 1.221 167 L HN 0.278 nan 8.230 nan 0.000 0.430 168 P HA 0.110 nan 4.420 nan 0.000 0.267 168 P C 0.315 177.567 177.300 -0.080 0.000 1.205 168 P CA -0.022 63.003 63.100 -0.125 0.000 0.765 168 P CB 0.972 32.592 31.700 -0.133 0.000 0.828 169 A N 4.690 127.475 122.820 -0.058 0.000 1.940 169 A HA -0.244 4.075 4.320 -0.002 0.000 0.219 169 A C 1.928 179.503 177.584 -0.015 0.000 1.176 169 A CA 1.917 53.956 52.037 0.002 0.000 0.631 169 A CB -1.255 17.796 19.000 0.086 0.000 0.814 169 A HN 0.711 nan 8.150 nan 0.000 0.446 170 N N 0.577 119.257 118.700 -0.034 0.000 2.223 170 N HA -0.130 4.608 4.740 -0.002 0.000 0.185 170 N C 1.520 177.008 175.510 -0.036 0.000 1.016 170 N CA 1.589 54.620 53.050 -0.032 0.000 0.863 170 N CB -0.561 37.903 38.487 -0.039 0.000 0.983 170 N HN 0.499 nan 8.380 nan 0.000 0.429 171 L N 0.577 121.771 121.223 -0.047 0.000 2.240 171 L HA 0.025 4.364 4.340 -0.002 0.000 0.211 171 L C 2.310 179.154 176.870 -0.043 0.000 1.106 171 L CA 0.504 55.314 54.840 -0.051 0.000 0.793 171 L CB -0.359 41.662 42.059 -0.063 0.000 0.927 171 L HN 0.011 nan 8.230 nan 0.000 0.446 172 V N -0.249 119.644 119.914 -0.035 0.000 2.594 172 V HA -0.250 3.869 4.120 -0.002 0.000 0.253 172 V C 1.632 177.720 176.094 -0.010 0.000 1.069 172 V CA 1.625 63.912 62.300 -0.023 0.000 1.082 172 V CB -0.395 31.421 31.823 -0.013 0.000 0.680 172 V HN 0.437 nan 8.190 nan 0.000 0.469 173 D N -0.661 119.732 120.400 -0.011 0.000 2.349 173 D HA 0.145 4.783 4.640 -0.002 0.000 0.214 173 D C 0.393 176.687 176.300 -0.010 0.000 1.063 173 D CA -0.065 53.932 54.000 -0.005 0.000 0.847 173 D CB 0.539 41.337 40.800 -0.004 0.000 0.933 173 D HN 0.238 nan 8.370 nan 0.000 0.513 174 L N 1.422 122.633 121.223 -0.020 0.000 2.436 174 L HA 0.158 4.497 4.340 -0.002 0.000 0.265 174 L C 1.222 178.076 176.870 -0.026 0.000 1.168 174 L CA 0.024 54.849 54.840 -0.026 0.000 0.815 174 L CB 1.001 43.036 42.059 -0.039 0.000 1.109 174 L HN -0.066 nan 8.230 nan 0.000 0.462 175 T N 0.028 114.567 114.554 -0.024 0.000 2.943 175 T HA 0.825 5.174 4.350 -0.002 0.000 0.284 175 T C -0.261 174.416 174.700 -0.038 0.000 1.015 175 T CA -0.612 61.477 62.100 -0.019 0.000 1.042 175 T CB 1.719 70.584 68.868 -0.005 0.000 1.055 175 T HN 0.584 nan 8.240 nan 0.000 0.500 176 V N -2.592 117.302 119.914 -0.034 0.000 3.114 176 V HA 0.776 4.895 4.120 -0.002 0.000 0.308 176 V C -3.290 172.799 176.094 -0.009 0.000 1.168 176 V CA -3.243 59.022 62.300 -0.058 0.000 1.015 176 V CB 1.541 33.268 31.823 -0.160 0.000 1.050 176 V HN 0.729 nan 8.190 nan 0.000 0.433 177 P HA 0.298 nan 4.420 nan 0.000 0.267 177 P C 0.640 177.977 177.300 0.061 0.000 1.205 177 P CA 0.523 63.636 63.100 0.021 0.000 0.765 177 P CB 1.182 32.890 31.700 0.013 0.000 0.828 178 A N 3.463 126.320 122.820 0.061 0.000 2.015 178 A HA -0.152 4.167 4.320 -0.002 0.000 0.219 178 A C 2.114 179.742 177.584 0.073 0.000 1.163 178 A CA 1.846 53.931 52.037 0.080 0.000 0.646 178 A CB -1.490 17.541 19.000 0.053 0.000 0.806 178 A HN 0.582 nan 8.150 nan 0.000 0.448 179 S N 0.266 115.998 115.700 0.053 0.000 2.440 179 S HA -0.146 4.322 4.470 -0.002 0.000 0.238 179 S C 1.741 176.377 174.600 0.061 0.000 1.010 179 S CA 1.379 59.605 58.200 0.044 0.000 0.972 179 S CB -0.839 62.379 63.200 0.030 0.000 0.774 179 S HN 0.488 nan 8.310 nan 0.000 0.501 180 L N 0.600 121.880 121.223 0.095 0.000 2.129 180 L HA -0.083 4.256 4.340 -0.002 0.000 0.212 180 L C 2.406 179.363 176.870 0.145 0.000 1.087 180 L CA 1.243 56.166 54.840 0.140 0.000 0.757 180 L CB -0.725 41.458 42.059 0.206 0.000 0.896 180 L HN 0.347 nan 8.230 nan 0.000 0.434 181 L N -0.579 120.710 121.223 0.109 0.000 2.456 181 L HA -0.168 4.170 4.340 -0.002 0.000 0.224 181 L C 1.533 178.399 176.870 -0.006 0.000 1.148 181 L CA 0.504 55.342 54.840 -0.002 0.000 0.825 181 L CB -0.533 41.491 42.059 -0.059 0.000 0.937 181 L HN 0.260 nan 8.230 nan 0.000 0.450 182 D N -0.866 119.544 120.400 0.016 0.000 2.363 182 D HA -0.028 4.611 4.640 -0.002 0.000 0.220 182 D C 0.619 176.924 176.300 0.009 0.000 0.994 182 D CA 0.603 54.608 54.000 0.008 0.000 0.890 182 D CB 0.085 40.893 40.800 0.013 0.000 0.906 182 D HN 0.153 nan 8.370 nan 0.000 0.530 183 T N 3.296 117.860 114.554 0.017 0.000 2.738 183 T HA 0.305 4.654 4.350 -0.002 0.000 0.298 183 T C -2.377 172.324 174.700 0.003 0.000 0.962 183 T CA -1.483 60.626 62.100 0.015 0.000 0.972 183 T CB 1.726 70.611 68.868 0.028 0.000 0.928 183 T HN -0.091 nan 8.240 nan 0.000 0.474 184 P HA 0.155 nan 4.420 nan 0.000 0.267 184 P C 0.052 177.340 177.300 -0.019 0.000 1.200 184 P CA -0.372 62.713 63.100 -0.025 0.000 0.772 184 P CB 0.372 32.057 31.700 -0.025 0.000 0.855 185 I N 1.921 122.469 120.570 -0.036 0.000 2.598 185 I HA -0.037 4.131 4.170 -0.002 0.000 0.284 185 I C 0.986 177.083 176.117 -0.034 0.000 1.140 185 I CA 0.243 61.527 61.300 -0.028 0.000 1.420 185 I CB -0.050 37.923 38.000 -0.046 0.000 1.387 185 I HN 0.293 nan 8.210 nan 0.000 0.553 186 D N 7.286 127.682 120.400 -0.007 0.000 2.336 186 D HA 0.161 4.799 4.640 -0.002 0.000 0.249 186 D C 0.414 176.717 176.300 0.005 0.000 1.213 186 D CA 0.105 54.107 54.000 0.003 0.000 0.870 186 D CB 0.870 41.686 40.800 0.026 0.000 1.076 186 D HN 0.400 nan 8.370 nan 0.000 0.483 187 L N 2.521 123.731 121.223 -0.021 0.000 2.667 187 L HA 0.113 4.451 4.340 -0.002 0.000 0.232 187 L C 0.908 177.844 176.870 0.109 0.000 1.138 187 L CA -0.237 54.599 54.840 -0.007 0.000 0.921 187 L CB -0.128 41.773 42.059 -0.264 0.000 1.180 187 L HN 0.300 nan 8.230 nan 0.000 0.487 188 S N 0.466 116.223 115.700 0.096 0.000 2.601 188 S HA 0.528 4.997 4.470 -0.002 0.000 0.271 188 S C -0.268 174.428 174.600 0.161 0.000 1.305 188 S CA -0.639 57.642 58.200 0.135 0.000 1.022 188 S CB 1.294 64.560 63.200 0.110 0.000 0.940 188 S HN 0.112 nan 8.310 nan 0.000 0.525 189 L N 2.194 123.547 121.223 0.216 0.000 2.334 189 L HA 0.458 4.797 4.340 -0.002 0.000 0.277 189 L C 0.503 177.554 176.870 0.302 0.000 1.075 189 L CA -1.081 53.910 54.840 0.252 0.000 0.804 189 L CB 0.787 42.986 42.059 0.235 0.000 1.174 189 L HN 0.569 nan 8.230 nan 0.000 0.438 190 K N 2.461 122.994 120.400 0.223 0.000 2.295 190 K HA 0.287 4.606 4.320 -0.002 0.000 0.270 190 K C -2.251 174.454 176.600 0.175 0.000 1.011 190 K CA -1.843 54.533 56.287 0.150 0.000 0.953 190 K CB 0.178 32.739 32.500 0.102 0.000 0.956 190 K HN 0.214 nan 8.250 nan 0.000 0.477 191 P HA -0.016 nan 4.420 nan 0.000 0.266 191 P C -0.257 177.066 177.300 0.040 0.000 1.193 191 P CA 0.065 63.071 63.100 -0.158 0.000 0.770 191 P CB 0.365 31.949 31.700 -0.192 0.000 0.836 192 N N 1.529 120.291 118.700 0.103 0.000 2.374 192 N HA -0.045 4.693 4.740 -0.002 0.000 0.241 192 N C 0.024 175.577 175.510 0.070 0.000 1.262 192 N CA 0.263 53.391 53.050 0.130 0.000 0.880 192 N CB -0.137 38.445 38.487 0.158 0.000 1.105 192 N HN 0.504 nan 8.380 nan 0.000 0.438 193 D N 0.978 121.426 120.400 0.079 0.000 2.487 193 D HA 0.048 4.686 4.640 -0.002 0.000 0.243 193 D C -1.634 174.697 176.300 0.052 0.000 1.154 193 D CA -1.031 53.006 54.000 0.060 0.000 0.876 193 D CB 0.871 41.714 40.800 0.071 0.000 1.161 193 D HN 0.260 nan 8.370 nan 0.000 0.478 194 P HA -0.080 nan 4.420 nan 0.000 0.221 194 P C 0.404 177.720 177.300 0.026 0.000 1.150 194 P CA 0.975 64.088 63.100 0.022 0.000 0.800 194 P CB 0.195 31.900 31.700 0.009 0.000 0.787 195 E N -0.218 120.003 120.200 0.035 0.000 2.140 195 E HA 0.033 4.382 4.350 -0.002 0.000 0.191 195 E C 2.101 178.731 176.600 0.051 0.000 0.973 195 E CA 0.736 57.159 56.400 0.039 0.000 0.829 195 E CB -0.614 29.111 29.700 0.042 0.000 0.781 195 E HN 0.099 nan 8.360 nan 0.000 0.466 196 A N 2.120 124.984 122.820 0.073 0.000 1.883 196 A HA -0.283 4.036 4.320 -0.002 0.000 0.217 196 A C 2.119 179.720 177.584 0.029 0.000 1.186 196 A CA 1.803 53.901 52.037 0.102 0.000 0.624 196 A CB -0.554 18.530 19.000 0.140 0.000 0.822 196 A HN 0.237 nan 8.150 nan 0.000 0.444 197 E N -0.824 119.396 120.200 0.034 0.000 2.058 197 E HA -0.272 4.077 4.350 -0.002 0.000 0.194 197 E C 2.059 178.647 176.600 -0.020 0.000 0.997 197 E CA 1.512 57.921 56.400 0.015 0.000 0.801 197 E CB -0.094 29.633 29.700 0.045 0.000 0.746 197 E HN 0.592 nan 8.360 nan 0.000 0.450 198 E N 1.054 121.250 120.200 -0.008 0.000 2.077 198 E HA -0.232 4.117 4.350 -0.002 0.000 0.193 198 E C 1.806 178.383 176.600 -0.038 0.000 0.989 198 E CA 1.679 58.072 56.400 -0.013 0.000 0.800 198 E CB -0.176 29.525 29.700 0.003 0.000 0.746 198 E HN 0.334 nan 8.360 nan 0.000 0.452 199 E N -0.496 119.676 120.200 -0.047 0.000 2.058 199 E HA -0.173 4.176 4.350 -0.002 0.000 0.194 199 E C 2.030 178.505 176.600 -0.209 0.000 0.997 199 E CA 1.608 57.966 56.400 -0.070 0.000 0.801 199 E CB -0.001 29.707 29.700 0.014 0.000 0.746 199 E HN 0.201 nan 8.360 nan 0.000 0.450 200 V N 1.290 120.986 119.914 -0.364 0.000 2.287 200 V HA -0.269 3.849 4.120 -0.002 0.000 0.248 200 V C 2.372 178.345 176.094 -0.202 0.000 1.053 200 V CA 1.306 63.314 62.300 -0.486 0.000 1.027 200 V CB -0.389 31.167 31.823 -0.445 0.000 0.646 200 V HN 0.362 nan 8.190 nan 0.000 0.447 201 I N 0.091 120.604 120.570 -0.094 0.000 2.202 201 I HA -0.172 3.996 4.170 -0.002 0.000 0.242 201 I C 2.470 178.577 176.117 -0.017 0.000 1.091 201 I CA 1.254 62.544 61.300 -0.016 0.000 1.368 201 I CB -1.387 36.617 38.000 0.007 0.000 1.058 201 I HN 0.431 nan 8.210 nan 0.000 0.410 202 E N 0.797 120.980 120.200 -0.028 0.000 2.048 202 E HA -0.276 4.073 4.350 -0.002 0.000 0.202 202 E C 1.941 178.533 176.600 -0.013 0.000 1.021 202 E CA 1.783 58.175 56.400 -0.013 0.000 0.825 202 E CB -0.245 29.450 29.700 -0.009 0.000 0.756 202 E HN 0.458 nan 8.360 nan 0.000 0.454 203 N N 0.276 118.954 118.700 -0.038 0.000 2.061 203 N HA -0.151 4.588 4.740 -0.002 0.000 0.193 203 N C 1.897 177.397 175.510 -0.017 0.000 1.030 203 N CA 1.139 54.173 53.050 -0.026 0.000 0.856 203 N CB -0.576 37.884 38.487 -0.045 0.000 1.023 203 N HN 0.013 nan 8.380 nan 0.000 0.424 204 V N 1.296 121.195 119.914 -0.025 0.000 2.307 204 V HA -0.138 3.981 4.120 -0.002 0.000 0.245 204 V C 2.365 178.481 176.094 0.037 0.000 1.045 204 V CA 1.144 63.451 62.300 0.011 0.000 1.024 204 V CB -0.573 31.288 31.823 0.063 0.000 0.651 204 V HN 0.234 nan 8.190 nan 0.000 0.449 205 L N -0.421 120.823 121.223 0.035 0.000 2.046 205 L HA -0.237 4.102 4.340 -0.002 0.000 0.208 205 L C 2.696 179.587 176.870 0.035 0.000 1.077 205 L CA 1.687 56.551 54.840 0.040 0.000 0.747 205 L CB -0.598 41.478 42.059 0.029 0.000 0.896 205 L HN 0.349 nan 8.230 nan 0.000 0.432 206 Q N 0.118 119.932 119.800 0.023 0.000 2.061 206 Q HA -0.225 4.114 4.340 -0.002 0.000 0.204 206 Q C 2.085 178.096 176.000 0.019 0.000 0.984 206 Q CA 1.818 57.633 55.803 0.021 0.000 0.846 206 Q CB -0.372 28.376 28.738 0.016 0.000 0.902 206 Q HN 0.222 nan 8.270 nan 0.000 0.421 207 L N -0.075 121.157 121.223 0.014 0.000 2.042 207 L HA -0.144 4.195 4.340 -0.002 0.000 0.210 207 L C 2.236 179.106 176.870 0.001 0.000 1.076 207 L CA 1.578 56.419 54.840 0.002 0.000 0.749 207 L CB -0.933 41.122 42.059 -0.007 0.000 0.893 207 L HN 0.334 nan 8.230 nan 0.000 0.432 208 I N -0.970 119.619 120.570 0.031 0.000 2.226 208 I HA -0.324 3.845 4.170 -0.002 0.000 0.245 208 I C 2.343 178.496 176.117 0.060 0.000 1.100 208 I CA 1.094 62.430 61.300 0.060 0.000 1.374 208 I CB -0.238 37.853 38.000 0.153 0.000 1.057 208 I HN 0.214 nan 8.210 nan 0.000 0.413 209 K N 0.718 121.151 120.400 0.056 0.000 2.057 209 K HA -0.198 4.121 4.320 -0.002 0.000 0.207 209 K C 1.908 178.530 176.600 0.036 0.000 1.049 209 K CA 1.537 57.856 56.287 0.054 0.000 0.931 209 K CB -0.145 32.380 32.500 0.042 0.000 0.714 209 K HN 0.379 nan 8.250 nan 0.000 0.440 210 E N 0.503 120.713 120.200 0.017 0.000 2.274 210 E HA -0.032 4.317 4.350 -0.002 0.000 0.194 210 E C 0.187 176.780 176.600 -0.011 0.000 0.996 210 E CA 0.114 56.516 56.400 0.004 0.000 0.840 210 E CB 0.114 29.814 29.700 -0.001 0.000 0.772 210 E HN 0.236 nan 8.360 nan 0.000 0.491 211 A N 1.692 124.492 122.820 -0.033 0.000 2.409 211 A HA 0.093 4.411 4.320 -0.002 0.000 0.262 211 A C 0.900 178.452 177.584 -0.053 0.000 1.113 211 A CA -0.401 51.589 52.037 -0.079 0.000 0.790 211 A CB 0.460 19.358 19.000 -0.170 0.000 1.046 211 A HN -0.005 nan 8.150 nan 0.000 0.496 212 K N 1.310 121.687 120.400 -0.038 0.000 2.284 212 K HA 0.030 4.349 4.320 -0.002 0.000 0.198 212 K C 0.022 176.644 176.600 0.037 0.000 1.048 212 K CA 0.497 56.794 56.287 0.017 0.000 0.987 212 K CB 0.210 32.716 32.500 0.010 0.000 0.800 212 K HN 0.581 nan 8.250 nan 0.000 0.486 213 N N 1.666 120.330 118.700 -0.060 0.000 2.733 213 N HA 0.179 4.918 4.740 -0.002 0.000 0.271 213 N C -2.940 172.431 175.510 -0.231 0.000 1.720 213 N CA -1.965 51.044 53.050 -0.068 0.000 0.803 213 N CB 1.019 39.484 38.487 -0.037 0.000 1.208 213 N HN -0.086 nan 8.380 nan 0.000 0.498 214 P HA 0.292 nan 4.420 nan 0.000 0.279 214 P C -0.596 176.392 177.300 -0.521 0.000 1.252 214 P CA -0.432 62.287 63.100 -0.634 0.000 0.811 214 P CB 1.700 32.702 31.700 -1.163 0.000 1.035 215 V N -0.553 119.191 119.914 -0.283 0.000 3.049 215 V HA 0.628 4.747 4.120 -0.002 0.000 0.309 215 V C -0.687 175.402 176.094 -0.008 0.000 1.148 215 V CA -1.127 61.135 62.300 -0.064 0.000 0.990 215 V CB 1.874 33.725 31.823 0.046 0.000 1.039 215 V HN 0.305 nan 8.190 nan 0.000 0.430 216 I N 3.925 124.542 120.570 0.078 0.000 2.412 216 I HA 0.577 4.745 4.170 -0.002 0.000 0.296 216 I C -0.862 175.316 176.117 0.101 0.000 0.987 216 I CA -0.755 60.585 61.300 0.067 0.000 1.180 216 I CB 1.801 39.827 38.000 0.044 0.000 1.340 216 I HN 0.536 nan 8.210 nan 0.000 0.455 217 L N 6.200 127.471 121.223 0.079 0.000 2.438 217 L HA 0.743 5.082 4.340 -0.002 0.000 0.270 217 L C -1.001 175.946 176.870 0.128 0.000 0.972 217 L CA -0.409 54.518 54.840 0.145 0.000 0.831 217 L CB 1.545 43.692 42.059 0.147 0.000 1.273 217 L HN 0.699 nan 8.230 nan 0.000 0.405 218 A N 3.947 126.851 122.820 0.139 0.000 2.276 218 A HA 0.664 4.982 4.320 -0.002 0.000 0.316 218 A C -0.690 176.960 177.584 0.111 0.000 1.229 218 A CA -0.479 51.617 52.037 0.097 0.000 0.851 218 A CB 0.895 19.938 19.000 0.072 0.000 1.165 218 A HN 0.777 nan 8.150 nan 0.000 0.513 219 D N 1.242 121.687 120.400 0.076 0.000 2.654 219 D HA 0.638 5.277 4.640 -0.002 0.000 0.255 219 D C 1.249 177.553 176.300 0.007 0.000 1.101 219 D CA 0.207 54.239 54.000 0.054 0.000 1.116 219 D CB 1.914 42.753 40.800 0.064 0.000 1.348 219 D HN 0.384 nan 8.370 nan 0.000 0.609 220 A N -0.232 122.573 122.820 -0.026 0.000 2.015 220 A HA -0.092 4.227 4.320 -0.002 0.000 0.219 220 A C 2.150 179.721 177.584 -0.021 0.000 1.163 220 A CA 1.068 53.083 52.037 -0.036 0.000 0.646 220 A CB -0.747 18.216 19.000 -0.061 0.000 0.806 220 A HN 0.585 nan 8.150 nan 0.000 0.448 221 C N -1.683 117.607 119.300 -0.018 0.000 2.539 221 C HA -0.007 4.452 4.460 -0.002 0.000 0.271 221 C C 2.703 177.733 174.990 0.066 0.000 1.412 221 C CA 0.071 59.117 59.018 0.048 0.000 1.729 221 C CB -2.319 25.492 27.740 0.119 0.000 1.739 221 C HN 0.801 nan 8.230 nan 0.000 0.570 222 C N 1.663 120.979 119.300 0.026 0.000 2.442 222 C HA -0.097 4.361 4.460 -0.002 0.000 0.279 222 C C 3.124 178.129 174.990 0.025 0.000 1.237 222 C CA 2.266 61.295 59.018 0.018 0.000 1.722 222 C CB -1.146 26.601 27.740 0.011 0.000 2.056 222 C HN 0.712 nan 8.230 nan 0.000 0.469 223 S N -0.145 115.575 115.700 0.033 0.000 2.446 223 S HA -0.025 4.444 4.470 -0.002 0.000 0.225 223 S C 1.936 176.545 174.600 0.016 0.000 1.016 223 S CA 0.886 59.119 58.200 0.054 0.000 0.943 223 S CB -0.621 62.658 63.200 0.133 0.000 0.786 223 S HN 0.619 nan 8.310 nan 0.000 0.508 224 R N 1.159 121.645 120.500 -0.024 0.000 2.105 224 R HA -0.016 4.322 4.340 -0.002 0.000 0.239 224 R C 1.293 177.393 176.300 -0.332 0.000 1.135 224 R CA 1.708 57.705 56.100 -0.173 0.000 0.967 224 R CB -0.399 29.769 30.300 -0.220 0.000 0.861 224 R HN 0.556 nan 8.270 nan 0.000 0.442 225 H N -0.938 118.101 119.070 -0.052 0.000 2.488 225 H HA 0.121 4.676 4.556 -0.002 0.000 0.294 225 H C -0.433 174.847 175.328 -0.080 0.000 1.088 225 H CA 0.207 56.208 56.048 -0.079 0.000 1.086 225 H CB 0.168 29.889 29.762 -0.069 0.000 1.569 225 H HN 0.208 nan 8.280 nan 0.000 0.548 226 D N 0.645 121.048 120.400 0.005 0.000 2.699 226 D HA -0.180 4.458 4.640 -0.002 0.000 0.239 226 D C 0.570 176.861 176.300 -0.015 0.000 1.136 226 D CA 0.725 54.722 54.000 -0.006 0.000 0.668 226 D CB -0.976 39.820 40.800 -0.006 0.000 1.060 226 D HN 0.507 nan 8.370 nan 0.000 0.429 227 A N 0.404 123.216 122.820 -0.014 0.000 2.465 227 A HA 0.174 4.493 4.320 -0.002 0.000 0.255 227 A C 1.822 179.383 177.584 -0.039 0.000 1.274 227 A CA 0.508 52.520 52.037 -0.043 0.000 0.920 227 A CB 0.147 19.111 19.000 -0.060 0.000 1.033 227 A HN 0.283 nan 8.150 nan 0.000 0.516 228 K N 0.502 120.892 120.400 -0.016 0.000 2.026 228 K HA -0.110 4.209 4.320 -0.002 0.000 0.208 228 K C 2.078 178.666 176.600 -0.020 0.000 1.048 228 K CA 1.377 57.657 56.287 -0.011 0.000 0.929 228 K CB -0.262 32.243 32.500 0.009 0.000 0.713 228 K HN 0.365 nan 8.250 nan 0.000 0.439 229 A N 1.246 124.056 122.820 -0.017 0.000 1.883 229 A HA -0.213 4.106 4.320 -0.002 0.000 0.217 229 A C 1.880 179.443 177.584 -0.034 0.000 1.186 229 A CA 2.016 54.043 52.037 -0.017 0.000 0.624 229 A CB -0.609 18.385 19.000 -0.011 0.000 0.822 229 A HN 0.445 nan 8.150 nan 0.000 0.444 230 E N -0.537 119.632 120.200 -0.052 0.000 2.085 230 E HA -0.111 4.238 4.350 -0.002 0.000 0.194 230 E C 2.117 178.655 176.600 -0.103 0.000 0.994 230 E CA 1.800 58.150 56.400 -0.082 0.000 0.801 230 E CB -0.577 29.058 29.700 -0.109 0.000 0.743 230 E HN 0.606 nan 8.360 nan 0.000 0.453 231 T N 0.529 115.027 114.554 -0.094 0.000 2.708 231 T HA -0.190 4.159 4.350 -0.002 0.000 0.266 231 T C 1.795 176.443 174.700 -0.086 0.000 1.037 231 T CA 1.555 63.598 62.100 -0.095 0.000 1.146 231 T CB -0.187 68.641 68.868 -0.067 0.000 0.865 231 T HN 0.137 nan 8.240 nan 0.000 0.435 232 K N 0.909 121.276 120.400 -0.055 0.000 2.063 232 K HA -0.184 4.134 4.320 -0.002 0.000 0.208 232 K C 2.317 178.901 176.600 -0.027 0.000 1.048 232 K CA 1.496 57.765 56.287 -0.029 0.000 0.928 232 K CB -0.074 32.441 32.500 0.025 0.000 0.713 232 K HN 0.011 nan 8.250 nan 0.000 0.442 233 K N 0.957 121.334 120.400 -0.039 0.000 2.097 233 K HA -0.121 4.197 4.320 -0.002 0.000 0.205 233 K C 1.942 178.491 176.600 -0.085 0.000 1.050 233 K CA 1.009 57.270 56.287 -0.044 0.000 0.938 233 K CB -0.409 32.063 32.500 -0.046 0.000 0.718 233 K HN 0.206 nan 8.250 nan 0.000 0.442 234 L N 0.654 121.807 121.223 -0.117 0.000 2.017 234 L HA -0.060 4.278 4.340 -0.002 0.000 0.208 234 L C 1.896 178.645 176.870 -0.203 0.000 1.073 234 L CA 1.663 56.405 54.840 -0.162 0.000 0.745 234 L CB -0.357 41.605 42.059 -0.163 0.000 0.894 234 L HN 0.256 nan 8.230 nan 0.000 0.432 235 I N -0.450 120.011 120.570 -0.181 0.000 2.179 235 I HA -0.283 3.885 4.170 -0.002 0.000 0.242 235 I C 2.121 178.156 176.117 -0.137 0.000 1.088 235 I CA 1.393 62.558 61.300 -0.224 0.000 1.357 235 I CB -0.708 37.061 38.000 -0.386 0.000 1.051 235 I HN 0.258 nan 8.210 nan 0.000 0.409 236 D N 0.973 121.364 120.400 -0.015 0.000 2.104 236 D HA -0.153 4.486 4.640 -0.002 0.000 0.194 236 D C 2.273 178.549 176.300 -0.039 0.000 0.994 236 D CA 1.434 55.467 54.000 0.055 0.000 0.830 236 D CB -0.236 40.596 40.800 0.053 0.000 0.959 236 D HN 0.314 nan 8.370 nan 0.000 0.452 237 L N 0.227 121.388 121.223 -0.102 0.000 2.341 237 L HA -0.022 4.317 4.340 -0.002 0.000 0.214 237 L C 2.256 178.991 176.870 -0.225 0.000 1.115 237 L CA 1.170 55.933 54.840 -0.129 0.000 0.820 237 L CB -0.211 41.776 42.059 -0.120 0.000 0.944 237 L HN 0.153 nan 8.230 nan 0.000 0.452 238 T N -6.005 108.312 114.554 -0.394 0.000 3.018 238 T HA 0.024 4.372 4.350 -0.002 0.000 0.246 238 T C 1.037 175.368 174.700 -0.616 0.000 1.026 238 T CA -0.172 61.438 62.100 -0.816 0.000 1.081 238 T CB 0.360 68.189 68.868 -1.732 0.000 0.970 238 T HN 0.120 nan 8.240 nan 0.000 0.475 239 Q N 0.186 119.800 119.800 -0.310 0.000 2.460 239 Q HA -0.124 4.215 4.340 -0.002 0.000 0.248 239 Q C -0.844 175.240 176.000 0.141 0.000 0.847 239 Q CA 0.446 56.249 55.803 -0.000 0.000 1.214 239 Q CB -2.466 26.366 28.738 0.157 0.000 1.523 239 Q HN 0.573 nan 8.270 nan 0.000 0.602 240 F N 1.388 121.241 119.950 -0.163 0.000 2.506 240 F HA 0.247 4.773 4.527 -0.002 0.000 0.351 240 F C -1.274 174.433 175.800 -0.155 0.000 1.136 240 F CA -2.393 55.435 58.000 -0.286 0.000 1.298 240 F CB -0.732 38.063 39.000 -0.342 0.000 1.145 240 F HN -0.154 nan 8.300 nan 0.000 0.593 241 P HA 0.264 nan 4.420 nan 0.000 0.266 241 P C -1.078 176.053 177.300 -0.283 0.000 1.195 241 P CA -0.055 62.962 63.100 -0.139 0.000 0.768 241 P CB 0.552 32.240 31.700 -0.020 0.000 0.838 242 A N 3.048 125.520 122.820 -0.579 0.000 2.371 242 A HA 0.812 5.131 4.320 -0.002 0.000 0.311 242 A C -1.245 175.866 177.584 -0.789 0.000 1.068 242 A CA -0.408 51.380 52.037 -0.415 0.000 0.744 242 A CB 0.712 19.595 19.000 -0.196 0.000 1.239 242 A HN 0.361 nan 8.150 nan 0.000 0.435 243 F N 0.528 120.437 119.950 -0.070 0.000 2.603 243 F HA 0.638 5.163 4.527 -0.002 0.000 0.317 243 F C 0.270 176.135 175.800 0.107 0.000 1.066 243 F CA -0.829 57.109 58.000 -0.103 0.000 0.941 243 F CB 2.311 41.244 39.000 -0.111 0.000 1.291 243 F HN 0.549 nan 8.300 nan 0.000 0.472 244 V N -1.575 118.555 119.914 0.359 0.000 2.769 244 V HA 0.810 4.928 4.120 -0.002 0.000 0.312 244 V C -0.024 176.227 176.094 0.262 0.000 1.058 244 V CA -0.776 61.693 62.300 0.282 0.000 0.952 244 V CB 1.157 33.117 31.823 0.229 0.000 1.019 244 V HN 0.903 nan 8.190 nan 0.000 0.445 245 T N 0.315 115.007 114.554 0.229 0.000 2.788 245 T HA 0.420 4.769 4.350 -0.002 0.000 0.287 245 T C -1.728 173.004 174.700 0.053 0.000 1.007 245 T CA -1.166 61.053 62.100 0.197 0.000 1.005 245 T CB 0.890 69.838 68.868 0.133 0.000 1.012 245 T HN 0.588 nan 8.240 nan 0.000 0.530 246 P HA 0.046 nan 4.420 nan 0.000 0.218 246 P C 1.519 178.770 177.300 -0.081 0.000 1.149 246 P CA 1.027 64.061 63.100 -0.110 0.000 0.817 246 P CB -0.117 31.456 31.700 -0.210 0.000 0.785 247 M N -1.499 118.068 119.600 -0.056 0.000 2.549 247 M HA 0.040 4.519 4.480 -0.002 0.000 0.260 247 M C 1.626 177.893 176.300 -0.055 0.000 1.076 247 M CA 1.422 56.684 55.300 -0.064 0.000 1.090 247 M CB -0.555 31.997 32.600 -0.081 0.000 1.418 247 M HN -0.050 nan 8.290 nan 0.000 0.486 248 G N -0.663 108.122 108.800 -0.025 0.000 3.324 248 G HA2 0.076 4.034 3.960 -0.002 0.000 0.251 248 G HA3 0.076 4.034 3.960 -0.002 0.000 0.251 248 G C 0.168 175.061 174.900 -0.013 0.000 1.072 248 G CA -0.409 44.685 45.100 -0.010 0.000 0.787 248 G HN 0.205 nan 8.290 nan 0.000 0.537 249 K N 0.780 121.158 120.400 -0.036 0.000 2.447 249 K HA 0.382 4.701 4.320 -0.002 0.000 0.281 249 K C 1.386 178.000 176.600 0.024 0.000 1.031 249 K CA 0.999 57.248 56.287 -0.063 0.000 1.019 249 K CB 0.189 32.580 32.500 -0.180 0.000 0.918 249 K HN 0.246 nan 8.250 nan 0.000 0.476 250 G N 2.086 110.909 108.800 0.039 0.000 2.254 250 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.225 250 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.225 250 G C 0.988 175.897 174.900 0.014 0.000 1.003 250 G CA 0.324 45.490 45.100 0.110 0.000 0.622 250 G HN 0.597 nan 8.290 nan 0.000 0.507 251 S N 0.019 115.712 115.700 -0.012 0.000 2.447 251 S HA 0.267 4.736 4.470 -0.002 0.000 0.233 251 S C 0.962 175.551 174.600 -0.018 0.000 1.006 251 S CA 0.810 59.011 58.200 0.001 0.000 0.957 251 S CB 0.049 63.255 63.200 0.010 0.000 0.773 251 S HN 0.539 nan 8.310 nan 0.000 0.507 252 I N 2.210 122.739 120.570 -0.068 0.000 2.382 252 I HA 0.219 4.388 4.170 -0.002 0.000 0.286 252 I C -1.077 174.886 176.117 -0.257 0.000 1.002 252 I CA -0.806 60.421 61.300 -0.120 0.000 1.135 252 I CB 1.463 39.431 38.000 -0.053 0.000 1.288 252 I HN -0.115 nan 8.210 nan 0.000 0.448 253 D N 6.492 126.806 120.400 -0.143 0.000 2.472 253 D HA -0.024 4.615 4.640 -0.002 0.000 0.248 253 D C 0.953 177.094 176.300 -0.265 0.000 1.174 253 D CA 0.526 54.444 54.000 -0.136 0.000 0.883 253 D CB 0.935 41.714 40.800 -0.036 0.000 1.149 253 D HN 0.543 nan 8.370 nan 0.000 0.488 254 E N 1.455 121.427 120.200 -0.380 0.000 2.511 254 E HA -0.091 4.258 4.350 -0.002 0.000 0.196 254 E C 1.065 177.591 176.600 -0.124 0.000 1.066 254 E CA 0.350 56.380 56.400 -0.615 0.000 0.871 254 E CB 0.385 29.749 29.700 -0.560 0.000 0.863 254 E HN 0.147 nan 8.360 nan 0.000 0.520 255 K N 0.232 120.615 120.400 -0.029 0.000 2.426 255 K HA 0.012 4.330 4.320 -0.002 0.000 0.193 255 K C 0.541 177.189 176.600 0.080 0.000 1.028 255 K CA 0.114 56.429 56.287 0.048 0.000 1.047 255 K CB -0.104 32.408 32.500 0.020 0.000 0.821 255 K HN 0.184 nan 8.250 nan 0.000 0.513 256 H N 2.400 121.475 119.070 0.008 0.000 3.034 256 H HA -0.002 4.553 4.556 -0.002 0.000 0.324 256 H C -1.740 173.633 175.328 0.075 0.000 1.015 256 H CA -1.203 54.865 56.048 0.034 0.000 1.429 256 H CB 1.274 31.053 29.762 0.029 0.000 1.429 256 H HN -0.158 nan 8.280 nan 0.000 0.585 257 P HA -0.102 nan 4.420 nan 0.000 0.221 257 P C 1.078 178.511 177.300 0.221 0.000 1.145 257 P CA 0.995 64.189 63.100 0.158 0.000 0.795 257 P CB 0.406 32.139 31.700 0.054 0.000 0.775 258 R N -1.964 118.770 120.500 0.389 0.000 2.317 258 R HA 0.160 4.498 4.340 -0.002 0.000 0.208 258 R C 0.406 176.669 176.300 -0.061 0.000 0.914 258 R CA -0.356 55.813 56.100 0.114 0.000 1.060 258 R CB -1.098 29.231 30.300 0.048 0.000 1.015 258 R HN 0.254 nan 8.270 nan 0.000 0.498 259 F N 1.369 121.256 119.950 -0.105 0.000 2.519 259 F HA 0.201 4.727 4.527 -0.002 0.000 0.375 259 F C 1.356 177.004 175.800 -0.253 0.000 1.084 259 F CA -0.372 57.501 58.000 -0.211 0.000 1.147 259 F CB 0.786 39.730 39.000 -0.095 0.000 1.088 259 F HN 0.039 nan 8.300 nan 0.000 0.555 260 G N 3.183 111.222 108.800 -1.269 0.000 2.838 260 G HA2 0.439 4.398 3.960 -0.002 0.000 0.210 260 G HA3 0.439 4.398 3.960 -0.002 0.000 0.210 260 G C 0.602 175.076 174.900 -0.709 0.000 1.153 260 G CA 0.399 44.918 45.100 -0.968 0.000 0.778 260 G HN 1.308 nan 8.290 nan 0.000 0.539 261 G N -1.358 106.607 108.800 -1.393 0.000 2.298 261 G HA2 0.122 4.081 3.960 -0.002 0.000 0.309 261 G HA3 0.122 4.081 3.960 -0.002 0.000 0.309 261 G C -1.233 173.581 174.900 -0.144 0.000 1.279 261 G CA -0.324 44.414 45.100 -0.603 0.000 1.042 261 G HN 0.633 nan 8.290 nan 0.000 0.480 262 V N 0.881 120.800 119.914 0.008 0.000 2.370 262 V HA 0.497 4.616 4.120 -0.002 0.000 0.279 262 V C -0.350 175.791 176.094 0.078 0.000 1.029 262 V CA -0.501 61.836 62.300 0.061 0.000 0.870 262 V CB 1.248 33.042 31.823 -0.049 0.000 0.984 262 V HN 0.796 nan 8.190 nan 0.000 0.451 263 Y N 5.113 125.412 120.300 -0.001 0.000 2.452 263 Y HA 0.462 5.011 4.550 -0.002 0.000 0.348 263 Y C 0.302 176.175 175.900 -0.044 0.000 0.985 263 Y CA -0.466 57.586 58.100 -0.081 0.000 1.214 263 Y CB 1.524 39.938 38.460 -0.076 0.000 1.136 263 Y HN 0.368 nan 8.280 nan 0.000 0.523 264 V N 8.020 127.582 119.914 -0.586 0.000 2.699 264 V HA 0.449 4.568 4.120 -0.002 0.000 0.311 264 V C 0.892 176.480 176.094 -0.843 0.000 1.160 264 V CA 0.502 62.405 62.300 -0.662 0.000 1.313 264 V CB -0.802 30.666 31.823 -0.592 0.000 1.553 264 V HN 1.182 nan 8.190 nan 0.000 0.630 265 G N 2.496 110.471 108.800 -1.374 0.000 2.702 265 G HA2 -0.488 3.471 3.960 -0.002 0.000 0.342 265 G HA3 -0.488 3.471 3.960 -0.002 0.000 0.342 265 G C 1.101 175.668 174.900 -0.554 0.000 1.258 265 G CA 1.311 45.732 45.100 -1.130 0.000 0.990 265 G HN 0.633 nan 8.290 nan 0.000 0.548 266 T N 0.759 115.158 114.554 -0.258 0.000 2.759 266 T HA 0.018 4.367 4.350 -0.002 0.000 0.269 266 T C 2.298 176.925 174.700 -0.121 0.000 1.042 266 T CA 1.698 63.725 62.100 -0.122 0.000 1.140 266 T CB -0.205 68.652 68.868 -0.018 0.000 0.864 266 T HN 0.319 nan 8.240 nan 0.000 0.455 267 L N 1.204 122.332 121.223 -0.158 0.000 2.612 267 L HA 0.174 4.513 4.340 -0.002 0.000 0.230 267 L C 0.860 177.631 176.870 -0.166 0.000 1.140 267 L CA -0.348 54.412 54.840 -0.133 0.000 0.896 267 L CB -0.033 41.986 42.059 -0.066 0.000 1.065 267 L HN 0.082 nan 8.230 nan 0.000 0.447 268 S N -0.124 115.443 115.700 -0.222 0.000 2.576 268 S HA 0.046 4.514 4.470 -0.002 0.000 0.272 268 S C 0.654 175.195 174.600 -0.099 0.000 1.352 268 S CA -0.412 57.684 58.200 -0.173 0.000 1.021 268 S CB 0.817 63.925 63.200 -0.154 0.000 0.887 268 S HN 0.433 nan 8.310 nan 0.000 0.542 269 S N 1.731 117.387 115.700 -0.073 0.000 2.563 269 S HA 0.098 4.567 4.470 -0.002 0.000 0.284 269 S C -2.001 172.573 174.600 -0.044 0.000 1.331 269 S CA -0.853 57.318 58.200 -0.048 0.000 1.047 269 S CB 0.086 63.266 63.200 -0.033 0.000 0.859 269 S HN 0.364 nan 8.310 nan 0.000 0.514 270 P HA -0.134 nan 4.420 nan 0.000 0.216 270 P C 1.582 178.864 177.300 -0.029 0.000 1.154 270 P CA 2.132 65.214 63.100 -0.031 0.000 0.865 270 P CB -0.217 31.470 31.700 -0.022 0.000 0.789 271 A N -1.014 121.794 122.820 -0.019 0.000 1.898 271 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 271 A C 2.333 179.904 177.584 -0.023 0.000 1.181 271 A CA 1.652 53.683 52.037 -0.010 0.000 0.620 271 A CB -1.539 17.466 19.000 0.008 0.000 0.819 271 A HN 0.045 nan 8.150 nan 0.000 0.442 272 V N 0.208 120.101 119.914 -0.034 0.000 2.379 272 V HA -0.211 3.908 4.120 -0.002 0.000 0.245 272 V C 2.504 178.501 176.094 -0.162 0.000 1.044 272 V CA 2.179 64.417 62.300 -0.104 0.000 1.036 272 V CB -0.564 31.228 31.823 -0.052 0.000 0.664 272 V HN 0.697 nan 8.190 nan 0.000 0.453 273 K N 0.342 120.702 120.400 -0.066 0.000 2.044 273 K HA -0.301 4.018 4.320 -0.002 0.000 0.210 273 K C 2.171 178.722 176.600 -0.082 0.000 1.049 273 K CA 2.262 58.534 56.287 -0.024 0.000 0.927 273 K CB -0.135 32.346 32.500 -0.032 0.000 0.713 273 K HN 0.398 nan 8.250 nan 0.000 0.443 274 E N 0.479 120.629 120.200 -0.083 0.000 2.077 274 E HA -0.113 4.236 4.350 -0.002 0.000 0.193 274 E C 1.635 178.164 176.600 -0.117 0.000 0.989 274 E CA 1.635 57.987 56.400 -0.080 0.000 0.800 274 E CB -0.301 29.369 29.700 -0.049 0.000 0.746 274 E HN 0.409 nan 8.360 nan 0.000 0.452 275 A N -0.217 122.513 122.820 -0.151 0.000 1.969 275 A HA -0.073 4.245 4.320 -0.002 0.000 0.218 275 A C 2.390 179.798 177.584 -0.294 0.000 1.169 275 A CA 1.544 53.492 52.037 -0.148 0.000 0.635 275 A CB -0.308 18.672 19.000 -0.033 0.000 0.810 275 A HN 0.205 nan 8.150 nan 0.000 0.445 276 V N -0.666 118.947 119.914 -0.502 0.000 2.685 276 V HA -0.093 4.025 4.120 -0.002 0.000 0.244 276 V C 2.254 178.120 176.094 -0.380 0.000 1.054 276 V CA 1.524 63.447 62.300 -0.628 0.000 1.076 276 V CB -0.474 30.671 31.823 -1.129 0.000 0.725 276 V HN 0.560 nan 8.190 nan 0.000 0.467 277 E N 0.819 120.865 120.200 -0.258 0.000 2.107 277 E HA -0.151 4.198 4.350 -0.002 0.000 0.191 277 E C 2.339 178.871 176.600 -0.113 0.000 0.982 277 E CA 1.466 57.782 56.400 -0.140 0.000 0.809 277 E CB -0.098 29.555 29.700 -0.080 0.000 0.756 277 E HN 0.694 nan 8.360 nan 0.000 0.459 278 S N 0.912 116.544 115.700 -0.114 0.000 2.453 278 S HA 0.053 4.522 4.470 -0.002 0.000 0.231 278 S C 1.127 175.671 174.600 -0.094 0.000 1.005 278 S CA 0.276 58.425 58.200 -0.085 0.000 0.949 278 S CB -0.156 63.006 63.200 -0.064 0.000 0.774 278 S HN 0.213 nan 8.310 nan 0.000 0.510 279 A N 2.857 125.598 122.820 -0.131 0.000 2.587 279 A HA 0.193 4.511 4.320 -0.002 0.000 0.235 279 A C 1.039 178.546 177.584 -0.128 0.000 1.044 279 A CA 0.495 52.445 52.037 -0.145 0.000 0.754 279 A CB 0.051 18.932 19.000 -0.198 0.000 0.968 279 A HN 0.650 nan 8.150 nan 0.000 0.509 280 D N 0.634 120.957 120.400 -0.127 0.000 2.398 280 D HA 0.269 4.908 4.640 -0.002 0.000 0.210 280 D C -0.173 176.053 176.300 -0.123 0.000 1.094 280 D CA 0.025 53.962 54.000 -0.106 0.000 0.839 280 D CB 0.102 40.854 40.800 -0.080 0.000 0.963 280 D HN 0.337 nan 8.370 nan 0.000 0.506 281 L N 0.241 121.363 121.223 -0.167 0.000 2.549 281 L HA 0.467 4.806 4.340 -0.002 0.000 0.259 281 L C -2.044 174.698 176.870 -0.214 0.000 0.934 281 L CA -0.752 53.985 54.840 -0.172 0.000 0.865 281 L CB 2.385 44.341 42.059 -0.172 0.000 1.352 281 L HN -0.198 nan 8.230 nan 0.000 0.410 282 V N 5.760 125.538 119.914 -0.225 0.000 2.487 282 V HA 0.506 4.624 4.120 -0.002 0.000 0.298 282 V C -0.399 175.577 176.094 -0.196 0.000 1.028 282 V CA -0.452 61.674 62.300 -0.290 0.000 0.860 282 V CB 1.717 33.198 31.823 -0.570 0.000 0.991 282 V HN 0.630 nan 8.190 nan 0.000 0.427 283 L N 4.074 125.239 121.223 -0.097 0.000 2.277 283 L HA 0.520 4.859 4.340 -0.002 0.000 0.284 283 L C 0.318 177.209 176.870 0.036 0.000 1.028 283 L CA 0.080 54.937 54.840 0.027 0.000 0.835 283 L CB 1.503 43.650 42.059 0.146 0.000 1.215 283 L HN 0.647 nan 8.230 nan 0.000 0.425 284 S N 3.068 118.778 115.700 0.017 0.000 2.442 284 S HA 0.638 5.107 4.470 -0.002 0.000 0.297 284 S C -0.476 174.182 174.600 0.097 0.000 1.131 284 S CA -0.522 57.694 58.200 0.026 0.000 1.092 284 S CB 1.203 64.399 63.200 -0.007 0.000 0.998 284 S HN 0.269 nan 8.310 nan 0.000 0.478 285 V N 4.665 124.627 119.914 0.080 0.000 2.357 285 V HA 0.664 4.783 4.120 -0.002 0.000 0.284 285 V C 1.039 177.128 176.094 -0.008 0.000 1.018 285 V CA 0.122 62.457 62.300 0.059 0.000 0.841 285 V CB 0.580 32.406 31.823 0.004 0.000 0.991 285 V HN 1.307 nan 8.190 nan 0.000 0.437 286 G N 4.167 112.922 108.800 -0.075 0.000 2.225 286 G HA2 -0.056 3.903 3.960 -0.002 0.000 0.264 286 G HA3 -0.056 3.903 3.960 -0.002 0.000 0.264 286 G C 0.366 175.209 174.900 -0.095 0.000 1.060 286 G CA 0.068 45.120 45.100 -0.080 0.000 0.833 286 G HN 1.514 nan 8.290 nan 0.000 0.498 287 A N -0.377 122.333 122.820 -0.184 0.000 2.511 287 A HA 0.624 4.943 4.320 -0.002 0.000 0.242 287 A C 1.408 179.017 177.584 0.043 0.000 1.069 287 A CA 0.382 52.396 52.037 -0.038 0.000 0.763 287 A CB 0.340 19.356 19.000 0.027 0.000 1.001 287 A HN 0.574 nan 8.150 nan 0.000 0.498 288 L N 0.886 122.099 121.223 -0.017 0.000 2.130 288 L HA 0.242 4.581 4.340 -0.002 0.000 0.200 288 L C -0.180 176.698 176.870 0.014 0.000 1.075 288 L CA 1.281 56.044 54.840 -0.129 0.000 0.768 288 L CB -0.510 41.409 42.059 -0.233 0.000 0.933 288 L HN 0.588 nan 8.230 nan 0.000 0.451 289 L N -1.898 119.354 121.223 0.048 0.000 2.505 289 L HA 0.276 4.614 4.340 -0.002 0.000 0.266 289 L C 0.776 177.818 176.870 0.287 0.000 0.954 289 L CA 0.249 55.176 54.840 0.146 0.000 0.852 289 L CB 1.854 43.940 42.059 0.043 0.000 1.282 289 L HN -0.218 nan 8.230 nan 0.000 0.403 290 S N 0.369 116.260 115.700 0.318 0.000 2.486 290 S HA 0.224 4.692 4.470 -0.002 0.000 0.220 290 S C -0.156 174.624 174.600 0.300 0.000 1.011 290 S CA 0.195 58.615 58.200 0.366 0.000 0.921 290 S CB 0.185 63.624 63.200 0.398 0.000 0.785 290 S HN 0.586 nan 8.310 nan 0.000 0.517 291 D N 1.033 121.593 120.400 0.267 0.000 2.471 291 D HA 0.483 5.122 4.640 -0.002 0.000 0.245 291 D C -1.032 175.420 176.300 0.253 0.000 1.116 291 D CA -0.239 53.864 54.000 0.172 0.000 0.853 291 D CB 1.533 42.402 40.800 0.116 0.000 1.123 291 D HN 0.290 nan 8.370 nan 0.000 0.540 292 F N -0.046 119.944 119.950 0.067 0.000 2.668 292 F HA 0.562 5.088 4.527 -0.002 0.000 0.309 292 F C -1.670 174.092 175.800 -0.063 0.000 1.117 292 F CA -1.009 56.986 58.000 -0.008 0.000 0.951 292 F CB 1.367 40.341 39.000 -0.043 0.000 1.323 292 F HN -0.126 nan 8.300 nan 0.000 0.451 293 N N 0.472 119.203 118.700 0.052 0.000 2.272 293 N HA 0.728 5.466 4.740 -0.002 0.000 0.305 293 N C -1.158 174.275 175.510 -0.127 0.000 1.103 293 N CA -0.499 52.463 53.050 -0.147 0.000 0.791 293 N CB 2.501 40.922 38.487 -0.110 0.000 1.356 293 N HN 0.804 nan 8.380 nan 0.000 0.486 294 T N -0.862 113.477 114.554 -0.359 0.000 2.927 294 T HA 0.446 4.795 4.350 -0.002 0.000 0.286 294 T C 1.373 175.964 174.700 -0.182 0.000 1.040 294 T CA -0.553 61.367 62.100 -0.301 0.000 1.010 294 T CB 1.423 69.956 68.868 -0.558 0.000 1.177 294 T HN 0.521 nan 8.240 nan 0.000 0.546 295 G N 0.260 109.000 108.800 -0.099 0.000 2.471 295 G HA2 -0.102 3.857 3.960 -0.002 0.000 0.219 295 G HA3 -0.102 3.857 3.960 -0.002 0.000 0.219 295 G C 1.443 176.320 174.900 -0.039 0.000 1.125 295 G CA 0.632 45.695 45.100 -0.062 0.000 0.775 295 G HN 0.580 nan 8.290 nan 0.000 0.548 296 S N -0.750 114.952 115.700 0.002 0.000 2.468 296 S HA 0.351 4.819 4.470 -0.002 0.000 0.226 296 S C 0.227 174.912 174.600 0.141 0.000 1.051 296 S CA 0.086 58.308 58.200 0.035 0.000 0.943 296 S CB 0.099 63.292 63.200 -0.011 0.000 0.810 296 S HN 0.489 nan 8.310 nan 0.000 0.509 297 F N -0.093 119.888 119.950 0.052 0.000 2.626 297 F HA 0.808 5.334 4.527 -0.002 0.000 0.311 297 F C -0.629 175.135 175.800 -0.060 0.000 1.088 297 F CA -1.320 56.679 58.000 -0.003 0.000 0.949 297 F CB 1.313 40.338 39.000 0.042 0.000 1.322 297 F HN -0.210 nan 8.300 nan 0.000 0.461 298 S N 1.603 117.330 115.700 0.044 0.000 2.437 298 S HA 0.482 4.950 4.470 -0.002 0.000 0.305 298 S C -1.778 172.798 174.600 -0.041 0.000 1.109 298 S CA -0.330 57.815 58.200 -0.092 0.000 1.099 298 S CB 0.358 63.506 63.200 -0.087 0.000 1.004 298 S HN 0.687 nan 8.310 nan 0.000 0.475 299 Y N 4.738 124.805 120.300 -0.389 0.000 2.356 299 Y HA 0.562 5.110 4.550 -0.002 0.000 0.334 299 Y C 0.080 175.721 175.900 -0.432 0.000 0.958 299 Y CA -0.032 57.774 58.100 -0.489 0.000 1.196 299 Y CB 0.756 38.648 38.460 -0.947 0.000 1.137 299 Y HN 0.851 nan 8.280 nan 0.000 0.485 300 S N 3.468 118.847 115.700 -0.535 0.000 2.819 300 S HA 0.659 5.128 4.470 -0.002 0.000 0.299 300 S C -1.813 172.440 174.600 -0.579 0.000 1.192 300 S CA -0.896 57.026 58.200 -0.464 0.000 0.847 300 S CB 1.643 64.734 63.200 -0.182 0.000 1.224 300 S HN 0.463 nan 8.310 nan 0.000 0.537 301 Y N 0.702 120.960 120.300 -0.069 0.000 2.499 301 Y HA 0.506 5.055 4.550 -0.002 0.000 0.347 301 Y C 1.060 176.914 175.900 -0.076 0.000 0.987 301 Y CA -1.256 56.782 58.100 -0.103 0.000 1.044 301 Y CB 2.199 40.597 38.460 -0.104 0.000 1.245 301 Y HN 0.855 nan 8.280 nan 0.000 0.461 302 K N -1.220 119.219 120.400 0.064 0.000 2.305 302 K HA 0.067 4.386 4.320 -0.002 0.000 0.199 302 K C 0.333 176.943 176.600 0.017 0.000 1.047 302 K CA 0.599 56.898 56.287 0.019 0.000 0.976 302 K CB -0.158 32.335 32.500 -0.011 0.000 0.765 302 K HN 0.572 nan 8.250 nan 0.000 0.474 303 T N -0.627 113.935 114.554 0.013 0.000 2.910 303 T HA 0.254 4.603 4.350 -0.002 0.000 0.293 303 T C 0.509 175.225 174.700 0.026 0.000 1.015 303 T CA -0.894 61.204 62.100 -0.003 0.000 1.094 303 T CB 1.724 70.565 68.868 -0.044 0.000 0.968 303 T HN 0.054 nan 8.240 nan 0.000 0.521 304 K N 0.535 120.945 120.400 0.017 0.000 2.426 304 K HA 0.067 4.386 4.320 -0.002 0.000 0.193 304 K C 0.597 177.204 176.600 0.012 0.000 1.028 304 K CA -0.063 56.243 56.287 0.031 0.000 1.047 304 K CB -0.003 32.513 32.500 0.026 0.000 0.821 304 K HN 0.449 nan 8.250 nan 0.000 0.513 305 N N 1.863 120.553 118.700 -0.016 0.000 2.739 305 N HA 0.045 4.783 4.740 -0.002 0.000 0.266 305 N C -1.368 174.099 175.510 -0.071 0.000 1.168 305 N CA 0.198 53.225 53.050 -0.037 0.000 1.055 305 N CB 0.075 38.533 38.487 -0.048 0.000 1.393 305 N HN -0.028 nan 8.380 nan 0.000 0.514 306 I N 2.455 122.992 120.570 -0.056 0.000 2.499 306 I HA 0.317 4.486 4.170 -0.002 0.000 0.288 306 I C -0.371 175.695 176.117 -0.086 0.000 1.048 306 I CA -0.981 60.261 61.300 -0.096 0.000 1.062 306 I CB 1.550 39.527 38.000 -0.038 0.000 1.238 306 I HN -0.109 nan 8.210 nan 0.000 0.426 307 V N 5.831 125.662 119.914 -0.138 0.000 2.398 307 V HA 0.384 4.503 4.120 -0.002 0.000 0.286 307 V C 0.111 176.034 176.094 -0.286 0.000 1.026 307 V CA -0.643 61.519 62.300 -0.231 0.000 0.868 307 V CB 1.751 33.404 31.823 -0.284 0.000 0.982 307 V HN 0.647 nan 8.190 nan 0.000 0.443 308 E N 4.050 124.056 120.200 -0.324 0.000 2.145 308 E HA 0.444 4.793 4.350 -0.002 0.000 0.262 308 E C -1.444 174.850 176.600 -0.511 0.000 0.883 308 E CA -0.401 55.809 56.400 -0.317 0.000 0.748 308 E CB 1.545 31.165 29.700 -0.134 0.000 1.140 308 E HN 0.542 nan 8.360 nan 0.000 0.417 309 F N 3.174 122.951 119.950 -0.289 0.000 2.411 309 F HA 0.250 4.776 4.527 -0.002 0.000 0.355 309 F C 0.921 176.444 175.800 -0.462 0.000 1.117 309 F CA -0.273 57.565 58.000 -0.271 0.000 1.139 309 F CB 0.629 39.528 39.000 -0.167 0.000 1.120 309 F HN 0.361 nan 8.300 nan 0.000 0.493 310 H N 0.502 119.454 119.070 -0.196 0.000 2.710 310 H HA 0.184 4.739 4.556 -0.002 0.000 0.361 310 H C 1.023 176.208 175.328 -0.238 0.000 1.175 310 H CA -0.047 55.818 56.048 -0.305 0.000 1.206 310 H CB 1.882 31.210 29.762 -0.724 0.000 1.750 310 H HN 0.603 nan 8.280 nan 0.000 0.553 311 S N 0.713 116.325 115.700 -0.147 0.000 2.393 311 S HA -0.257 4.211 4.470 -0.002 0.000 0.234 311 S C 0.917 175.411 174.600 -0.176 0.000 1.064 311 S CA 2.186 60.149 58.200 -0.395 0.000 1.088 311 S CB -0.198 62.510 63.200 -0.820 0.000 0.939 311 S HN 0.822 nan 8.310 nan 0.000 0.448 312 D N -0.977 119.416 120.400 -0.012 0.000 2.520 312 D HA 0.204 4.843 4.640 -0.002 0.000 0.223 312 D C 0.141 176.590 176.300 0.247 0.000 1.186 312 D CA -0.475 53.586 54.000 0.101 0.000 0.821 312 D CB -0.221 40.653 40.800 0.122 0.000 1.072 312 D HN 0.702 nan 8.370 nan 0.000 0.518 313 Y N -1.243 119.112 120.300 0.092 0.000 2.656 313 Y HA 0.619 5.167 4.550 -0.002 0.000 0.334 313 Y C -1.324 174.682 175.900 0.177 0.000 1.179 313 Y CA -1.231 56.941 58.100 0.120 0.000 1.050 313 Y CB 1.249 39.752 38.460 0.072 0.000 1.308 313 Y HN -0.147 nan 8.280 nan 0.000 0.456 314 T N 1.178 115.884 114.554 0.254 0.000 2.841 314 T HA 0.524 4.873 4.350 -0.002 0.000 0.283 314 T C -1.530 173.354 174.700 0.307 0.000 1.000 314 T CA -0.768 61.386 62.100 0.091 0.000 0.977 314 T CB 1.452 70.239 68.868 -0.135 0.000 0.979 314 T HN 0.901 nan 8.240 nan 0.000 0.446 315 K N 4.108 124.626 120.400 0.196 0.000 2.182 315 K HA 0.703 5.022 4.320 -0.002 0.000 0.262 315 K C -1.054 175.607 176.600 0.102 0.000 0.957 315 K CA -0.884 55.556 56.287 0.255 0.000 0.842 315 K CB 0.971 33.648 32.500 0.296 0.000 1.099 315 K HN 0.659 nan 8.250 nan 0.000 0.438 316 I N 5.569 126.247 120.570 0.181 0.000 2.439 316 I HA 0.303 4.472 4.170 -0.002 0.000 0.285 316 I C 0.510 176.687 176.117 0.100 0.000 1.021 316 I CA -0.731 60.627 61.300 0.097 0.000 1.091 316 I CB 1.625 39.710 38.000 0.142 0.000 1.242 316 I HN 0.887 nan 8.210 nan 0.000 0.439 317 R N 2.789 123.320 120.500 0.052 0.000 3.830 317 R HA -0.277 4.062 4.340 -0.002 0.000 0.431 317 R C 0.956 177.294 176.300 0.065 0.000 0.243 317 R CA 1.961 58.090 56.100 0.049 0.000 1.371 317 R CB -1.290 29.034 30.300 0.039 0.000 0.946 317 R HN 0.595 nan 8.270 nan 0.000 0.585 318 S N 0.440 116.170 115.700 0.050 0.000 2.540 318 S HA 0.324 4.792 4.470 -0.002 0.000 0.218 318 S C -0.057 174.549 174.600 0.010 0.000 0.977 318 S CA 0.167 58.389 58.200 0.037 0.000 0.918 318 S CB 1.065 64.278 63.200 0.021 0.000 0.806 318 S HN 0.576 nan 8.310 nan 0.000 0.496 319 A N 2.180 125.006 122.820 0.010 0.000 2.310 319 A HA 0.504 4.823 4.320 -0.002 0.000 0.300 319 A C 0.309 177.851 177.584 -0.070 0.000 1.269 319 A CA -0.155 51.816 52.037 -0.110 0.000 0.909 319 A CB -0.061 18.846 19.000 -0.155 0.000 1.144 319 A HN 0.180 nan 8.150 nan 0.000 0.540 320 T N 2.855 117.336 114.554 -0.121 0.000 2.869 320 T HA 0.429 4.778 4.350 -0.002 0.000 0.295 320 T C -0.682 173.911 174.700 -0.178 0.000 0.987 320 T CA 0.692 62.789 62.100 -0.004 0.000 1.109 320 T CB -0.143 68.681 68.868 -0.073 0.000 0.932 320 T HN 0.336 nan 8.240 nan 0.000 0.518 321 F N 4.310 124.332 119.950 0.119 0.000 2.359 321 F HA 0.344 4.870 4.527 -0.002 0.000 0.370 321 F C -2.093 173.786 175.800 0.131 0.000 1.077 321 F CA -2.726 55.331 58.000 0.095 0.000 1.136 321 F CB 0.825 39.874 39.000 0.082 0.000 1.387 321 F HN 0.306 nan 8.300 nan 0.000 0.468 322 P HA 0.033 nan 4.420 nan 0.000 0.263 322 P C 0.903 178.311 177.300 0.181 0.000 1.168 322 P CA 1.092 64.278 63.100 0.143 0.000 0.759 322 P CB 0.572 32.305 31.700 0.055 0.000 0.782 323 G N 1.602 110.511 108.800 0.183 0.000 2.168 323 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.257 323 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.257 323 G C 0.054 175.055 174.900 0.169 0.000 0.997 323 G CA -0.021 45.174 45.100 0.158 0.000 0.708 323 G HN 0.521 nan 8.290 nan 0.000 0.520 324 V N 1.548 121.581 119.914 0.197 0.000 2.320 324 V HA 0.307 4.426 4.120 -0.002 0.000 0.265 324 V C 0.660 176.846 176.094 0.153 0.000 1.048 324 V CA -0.298 62.104 62.300 0.170 0.000 0.865 324 V CB 1.061 32.971 31.823 0.146 0.000 1.043 324 V HN 0.479 nan 8.190 nan 0.000 0.474 325 Q N 3.650 123.531 119.800 0.135 0.000 2.288 325 Q HA 0.302 4.640 4.340 -0.002 0.000 0.254 325 Q C 1.226 177.242 176.000 0.026 0.000 0.932 325 Q CA -0.332 55.502 55.803 0.052 0.000 0.902 325 Q CB 1.600 30.347 28.738 0.014 0.000 1.203 325 Q HN 0.726 nan 8.270 nan 0.000 0.415 326 M N 2.875 122.467 119.600 -0.013 0.000 2.088 326 M HA -0.322 4.157 4.480 -0.002 0.000 0.256 326 M C 1.959 178.191 176.300 -0.113 0.000 1.071 326 M CA 2.050 57.346 55.300 -0.006 0.000 1.097 326 M CB -0.056 32.514 32.600 -0.050 0.000 1.315 326 M HN 0.644 nan 8.290 nan 0.000 0.406 327 K N -0.547 119.720 120.400 -0.222 0.000 2.001 327 K HA -0.147 4.172 4.320 -0.002 0.000 0.208 327 K C 1.602 178.109 176.600 -0.156 0.000 1.048 327 K CA 1.727 57.855 56.287 -0.265 0.000 0.932 327 K CB -0.182 32.084 32.500 -0.389 0.000 0.715 327 K HN 0.267 nan 8.250 nan 0.000 0.437 328 F N 0.772 120.717 119.950 -0.009 0.000 2.234 328 F HA 0.005 4.531 4.527 -0.002 0.000 0.299 328 F C 2.356 178.147 175.800 -0.014 0.000 1.087 328 F CA 0.780 58.776 58.000 -0.006 0.000 1.340 328 F CB -0.972 38.036 39.000 0.013 0.000 1.031 328 F HN 0.127 nan 8.300 nan 0.000 0.500 329 A N 0.178 123.086 122.820 0.145 0.000 1.897 329 A HA -0.033 4.285 4.320 -0.002 0.000 0.215 329 A C 2.264 179.839 177.584 -0.015 0.000 1.181 329 A CA 0.990 53.094 52.037 0.112 0.000 0.620 329 A CB -1.014 18.107 19.000 0.200 0.000 0.821 329 A HN 0.339 nan 8.150 nan 0.000 0.443 330 L N -0.775 120.341 121.223 -0.178 0.000 2.083 330 L HA -0.257 4.082 4.340 -0.002 0.000 0.209 330 L C 2.866 179.649 176.870 -0.144 0.000 1.083 330 L CA 1.561 56.208 54.840 -0.320 0.000 0.752 330 L CB -0.555 41.257 42.059 -0.411 0.000 0.899 330 L HN 0.469 nan 8.230 nan 0.000 0.433 331 Q N -0.214 119.556 119.800 -0.049 0.000 2.084 331 Q HA -0.262 4.077 4.340 -0.002 0.000 0.202 331 Q C 2.285 178.286 176.000 0.000 0.000 0.978 331 Q CA 1.637 57.440 55.803 -0.000 0.000 0.844 331 Q CB -0.057 28.730 28.738 0.081 0.000 0.898 331 Q HN 0.339 nan 8.270 nan 0.000 0.426 332 K N 0.675 121.086 120.400 0.019 0.000 2.025 332 K HA -0.129 4.190 4.320 -0.002 0.000 0.207 332 K C 2.084 178.681 176.600 -0.005 0.000 1.049 332 K CA 0.694 56.989 56.287 0.013 0.000 0.933 332 K CB -0.157 32.361 32.500 0.030 0.000 0.714 332 K HN 0.212 nan 8.250 nan 0.000 0.438 333 L N 1.362 122.573 121.223 -0.019 0.000 1.997 333 L HA -0.261 4.078 4.340 -0.002 0.000 0.216 333 L C 2.284 179.128 176.870 -0.042 0.000 1.074 333 L CA 1.525 56.349 54.840 -0.026 0.000 0.763 333 L CB -0.391 41.629 42.059 -0.066 0.000 0.890 333 L HN 0.334 nan 8.230 nan 0.000 0.434 334 L N -0.430 120.754 121.223 -0.065 0.000 2.129 334 L HA -0.259 4.079 4.340 -0.002 0.000 0.212 334 L C 2.631 179.476 176.870 -0.042 0.000 1.087 334 L CA 1.925 56.726 54.840 -0.064 0.000 0.757 334 L CB -1.057 40.962 42.059 -0.067 0.000 0.896 334 L HN 0.516 nan 8.230 nan 0.000 0.434 335 T N -3.231 111.306 114.554 -0.028 0.000 2.962 335 T HA -0.159 4.189 4.350 -0.002 0.000 0.270 335 T C 1.577 176.267 174.700 -0.017 0.000 1.088 335 T CA 1.002 63.090 62.100 -0.019 0.000 1.127 335 T CB -0.052 68.809 68.868 -0.012 0.000 0.883 335 T HN 0.381 nan 8.240 nan 0.000 0.493 336 K N -0.258 120.133 120.400 -0.016 0.000 2.402 336 K HA 0.379 4.698 4.320 -0.002 0.000 0.203 336 K C 1.846 178.439 176.600 -0.012 0.000 1.077 336 K CA -0.025 56.256 56.287 -0.009 0.000 1.051 336 K CB 0.645 33.144 32.500 -0.001 0.000 0.907 336 K HN 0.127 nan 8.250 nan 0.000 0.554 337 V N 1.612 121.508 119.914 -0.028 0.000 2.358 337 V HA -0.194 3.924 4.120 -0.002 0.000 0.246 337 V C 2.195 178.256 176.094 -0.055 0.000 1.047 337 V CA 2.156 64.431 62.300 -0.042 0.000 1.035 337 V CB -0.087 31.690 31.823 -0.076 0.000 0.658 337 V HN 0.341 nan 8.190 nan 0.000 0.452 338 A N -0.474 122.311 122.820 -0.058 0.000 1.883 338 A HA -0.259 4.059 4.320 -0.002 0.000 0.217 338 A C 1.982 179.555 177.584 -0.018 0.000 1.186 338 A CA 2.162 54.166 52.037 -0.054 0.000 0.624 338 A CB -0.731 18.244 19.000 -0.043 0.000 0.822 338 A HN 0.598 nan 8.150 nan 0.000 0.444 339 D N -0.143 120.253 120.400 -0.006 0.000 2.117 339 D HA -0.013 4.625 4.640 -0.002 0.000 0.198 339 D C 2.234 178.550 176.300 0.026 0.000 0.982 339 D CA 1.460 55.466 54.000 0.011 0.000 0.828 339 D CB -0.435 40.370 40.800 0.009 0.000 0.967 339 D HN 0.410 nan 8.370 nan 0.000 0.464 340 A N 0.749 123.586 122.820 0.027 0.000 1.972 340 A HA -0.012 4.306 4.320 -0.002 0.000 0.219 340 A C 2.087 179.725 177.584 0.091 0.000 1.169 340 A CA 1.808 53.876 52.037 0.051 0.000 0.635 340 A CB -0.350 18.679 19.000 0.048 0.000 0.810 340 A HN 0.217 nan 8.150 nan 0.000 0.446 341 A N 0.145 123.014 122.820 0.082 0.000 2.307 341 A HA 0.187 4.506 4.320 -0.002 0.000 0.218 341 A C 1.728 179.410 177.584 0.164 0.000 1.228 341 A CA 0.811 52.942 52.037 0.157 0.000 0.857 341 A CB -0.480 18.506 19.000 -0.023 0.000 0.897 341 A HN 0.703 nan 8.150 nan 0.000 0.495 342 K N -0.625 119.837 120.400 0.103 0.000 2.152 342 K HA -0.074 4.245 4.320 -0.002 0.000 0.206 342 K C 1.517 178.184 176.600 0.111 0.000 1.048 342 K CA 1.654 57.994 56.287 0.089 0.000 0.933 342 K CB -0.639 31.893 32.500 0.053 0.000 0.721 342 K HN 0.187 nan 8.250 nan 0.000 0.447 343 G N 0.230 109.108 108.800 0.129 0.000 2.776 343 G HA2 -0.173 3.785 3.960 -0.002 0.000 0.209 343 G HA3 -0.173 3.785 3.960 -0.002 0.000 0.209 343 G C -0.290 174.706 174.900 0.160 0.000 1.145 343 G CA -0.160 45.010 45.100 0.117 0.000 0.791 343 G HN 0.419 nan 8.290 nan 0.000 0.530 344 Y N 1.806 122.170 120.300 0.106 0.000 2.335 344 Y HA 0.427 4.976 4.550 -0.002 0.000 0.331 344 Y C 0.195 176.151 175.900 0.093 0.000 1.094 344 Y CA -1.119 57.059 58.100 0.129 0.000 1.253 344 Y CB 0.732 39.376 38.460 0.307 0.000 1.203 344 Y HN -0.138 nan 8.280 nan 0.000 0.508 345 K N 8.705 128.767 120.400 -0.562 0.000 2.268 345 K HA 0.280 4.598 4.320 -0.002 0.000 0.276 345 K C -2.616 173.501 176.600 -0.805 0.000 1.080 345 K CA -1.785 54.200 56.287 -0.503 0.000 0.910 345 K CB 0.690 33.034 32.500 -0.261 0.000 1.163 345 K HN 0.505 nan 8.250 nan 0.000 0.465 346 P HA -0.100 nan 4.420 nan 0.000 0.258 346 P C -0.161 177.043 177.300 -0.160 0.000 1.187 346 P CA -0.245 62.664 63.100 -0.319 0.000 0.767 346 P CB 0.248 31.953 31.700 0.009 0.000 0.770 347 V N 3.609 123.489 119.914 -0.057 0.000 2.614 347 V HA 0.415 4.534 4.120 -0.002 0.000 0.291 347 V C -1.857 174.278 176.094 0.068 0.000 1.049 347 V CA -1.866 60.449 62.300 0.025 0.000 1.038 347 V CB 0.070 31.940 31.823 0.079 0.000 0.980 347 V HN 0.390 nan 8.190 nan 0.000 0.481 348 P HA 0.336 nan 4.420 nan 0.000 0.274 348 P C -0.282 177.048 177.300 0.050 0.000 1.231 348 P CA -0.121 63.003 63.100 0.041 0.000 0.790 348 P CB 1.385 33.101 31.700 0.027 0.000 0.951 349 V N -0.668 119.265 119.914 0.032 0.000 2.713 349 V HA 0.558 4.677 4.120 -0.002 0.000 0.307 349 V C -2.309 173.798 176.094 0.022 0.000 1.052 349 V CA -2.331 59.975 62.300 0.011 0.000 0.967 349 V CB 0.062 31.822 31.823 -0.104 0.000 1.019 349 V HN 0.390 nan 8.190 nan 0.000 0.459 350 P HA 0.390 nan 4.420 nan 0.000 0.272 350 P C -0.493 176.813 177.300 0.010 0.000 1.248 350 P CA -0.018 63.110 63.100 0.048 0.000 0.799 350 P CB 0.465 32.221 31.700 0.094 0.000 0.997 351 S N -0.757 114.958 115.700 0.024 0.000 2.537 351 S HA 0.318 4.787 4.470 -0.002 0.000 0.271 351 S C -1.557 173.077 174.600 0.055 0.000 1.148 351 S CA -0.751 57.478 58.200 0.048 0.000 0.868 351 S CB 0.885 64.129 63.200 0.074 0.000 1.115 351 S HN 0.275 nan 8.310 nan 0.000 0.461 352 E N 2.823 123.077 120.200 0.090 0.000 2.212 352 E HA 0.479 4.827 4.350 -0.002 0.000 0.270 352 E C -2.498 174.249 176.600 0.244 0.000 0.956 352 E CA -2.238 54.233 56.400 0.119 0.000 0.825 352 E CB 1.362 31.086 29.700 0.039 0.000 1.167 352 E HN 0.482 nan 8.360 nan 0.000 0.400 353 P HA 0.067 nan 4.420 nan 0.000 0.268 353 P C 0.240 177.496 177.300 -0.073 0.000 1.205 353 P CA 0.123 63.246 63.100 0.037 0.000 0.771 353 P CB 1.082 32.794 31.700 0.021 0.000 0.858 354 E N 0.583 120.571 120.200 -0.353 0.000 2.299 354 E HA -0.051 4.298 4.350 -0.002 0.000 0.193 354 E C 0.207 176.298 176.600 -0.848 0.000 0.998 354 E CA 0.880 56.789 56.400 -0.818 0.000 0.851 354 E CB 0.181 29.294 29.700 -0.979 0.000 0.795 354 E HN 0.588 nan 8.360 nan 0.000 0.492 355 H N -0.701 118.312 119.070 -0.094 0.000 2.928 355 H HA 0.305 4.859 4.556 -0.002 0.000 0.371 355 H C -0.292 174.993 175.328 -0.072 0.000 1.186 355 H CA -0.784 55.214 56.048 -0.082 0.000 1.134 355 H CB 1.019 30.751 29.762 -0.050 0.000 1.824 355 H HN -0.105 nan 8.280 nan 0.000 0.554 356 N N 1.048 119.764 118.700 0.027 0.000 2.524 356 N HA 0.057 4.796 4.740 -0.002 0.000 0.283 356 N C 0.031 175.611 175.510 0.117 0.000 1.142 356 N CA -0.350 52.711 53.050 0.018 0.000 0.984 356 N CB 1.403 39.801 38.487 -0.148 0.000 1.155 356 N HN 0.543 nan 8.380 nan 0.000 0.467 357 E N 0.415 120.694 120.200 0.132 0.000 2.413 357 E HA 0.225 4.574 4.350 -0.002 0.000 0.263 357 E C -0.259 176.433 176.600 0.154 0.000 1.015 357 E CA -0.295 56.176 56.400 0.119 0.000 0.916 357 E CB 0.519 30.278 29.700 0.098 0.000 0.947 357 E HN 0.555 nan 8.360 nan 0.000 0.440 358 A N 2.912 125.799 122.820 0.113 0.000 2.540 358 A HA 0.354 4.673 4.320 -0.002 0.000 0.239 358 A C -0.181 177.457 177.584 0.091 0.000 1.061 358 A CA 0.125 52.229 52.037 0.112 0.000 0.758 358 A CB -0.190 18.852 19.000 0.071 0.000 0.991 358 A HN 0.527 nan 8.150 nan 0.000 0.502 359 V N -1.143 118.819 119.914 0.080 0.000 3.181 359 V HA 0.893 5.012 4.120 -0.002 0.000 0.308 359 V C 0.310 176.391 176.094 -0.021 0.000 1.214 359 V CA -0.749 61.557 62.300 0.009 0.000 1.053 359 V CB 1.016 32.811 31.823 -0.047 0.000 1.069 359 V HN 1.891 nan 8.190 nan 0.000 0.441 360 A N 0.551 123.344 122.820 -0.045 0.000 2.498 360 A HA 0.302 4.621 4.320 -0.002 0.000 0.239 360 A C 0.797 178.338 177.584 -0.073 0.000 1.068 360 A CA 0.366 52.376 52.037 -0.045 0.000 0.766 360 A CB -0.293 18.679 19.000 -0.046 0.000 1.003 360 A HN 0.973 nan 8.150 nan 0.000 0.497 361 D N 1.120 121.493 120.400 -0.045 0.000 2.309 361 D HA -0.114 4.525 4.640 -0.002 0.000 0.212 361 D C 2.040 178.295 176.300 -0.074 0.000 0.968 361 D CA 1.831 55.802 54.000 -0.049 0.000 0.882 361 D CB -0.031 40.762 40.800 -0.012 0.000 0.918 361 D HN 0.653 nan 8.370 nan 0.000 0.503 362 S N -0.884 114.773 115.700 -0.073 0.000 2.558 362 S HA -0.012 4.457 4.470 -0.002 0.000 0.217 362 S C 0.860 175.394 174.600 -0.109 0.000 0.975 362 S CA -0.245 57.911 58.200 -0.074 0.000 0.912 362 S CB -0.341 62.828 63.200 -0.052 0.000 0.776 362 S HN -0.069 nan 8.310 nan 0.000 0.526 363 T N 5.356 119.815 114.554 -0.157 0.000 2.792 363 T HA 0.194 4.543 4.350 -0.002 0.000 0.286 363 T C -2.591 171.967 174.700 -0.238 0.000 0.970 363 T CA -0.568 61.406 62.100 -0.209 0.000 1.187 363 T CB 0.206 68.899 68.868 -0.291 0.000 0.915 363 T HN 0.270 nan 8.240 nan 0.000 0.529 364 P HA 0.132 nan 4.420 nan 0.000 0.268 364 P C 0.099 177.274 177.300 -0.207 0.000 1.205 364 P CA -0.366 62.646 63.100 -0.146 0.000 0.771 364 P CB 0.412 32.057 31.700 -0.091 0.000 0.858 365 L N 3.362 124.478 121.223 -0.178 0.000 2.456 365 L HA 0.157 4.496 4.340 -0.002 0.000 0.272 365 L C 1.067 177.866 176.870 -0.117 0.000 1.189 365 L CA 0.639 55.362 54.840 -0.195 0.000 0.846 365 L CB 0.027 42.032 42.059 -0.090 0.000 1.111 365 L HN 0.273 nan 8.230 nan 0.000 0.475 366 K N 2.279 122.623 120.400 -0.093 0.000 2.502 366 K HA 0.228 4.547 4.320 -0.002 0.000 0.257 366 K C 0.111 176.697 176.600 -0.024 0.000 0.938 366 K CA -0.777 55.493 56.287 -0.030 0.000 0.819 366 K CB 2.227 34.721 32.500 -0.009 0.000 1.333 366 K HN 0.531 nan 8.250 nan 0.000 0.434 367 Q N 0.815 120.616 119.800 0.002 0.000 2.061 367 Q HA -0.235 4.104 4.340 -0.002 0.000 0.204 367 Q C 1.381 177.401 176.000 0.034 0.000 0.984 367 Q CA 1.874 57.672 55.803 -0.008 0.000 0.846 367 Q CB 0.114 28.993 28.738 0.235 0.000 0.902 367 Q HN 0.543 nan 8.270 nan 0.000 0.421 368 E N 0.302 120.575 120.200 0.122 0.000 2.097 368 E HA -0.215 4.134 4.350 -0.002 0.000 0.196 368 E C 1.457 178.103 176.600 0.075 0.000 1.000 368 E CA 1.473 57.956 56.400 0.137 0.000 0.804 368 E CB -0.340 29.426 29.700 0.110 0.000 0.740 368 E HN 0.431 nan 8.360 nan 0.000 0.454 369 W N -0.307 120.910 121.300 -0.137 0.000 2.378 369 W HA -0.179 4.479 4.660 -0.002 0.000 0.313 369 W C 2.056 178.360 176.519 -0.358 0.000 1.197 369 W CA 1.777 59.002 57.345 -0.199 0.000 1.304 369 W CB -0.539 28.795 29.460 -0.209 0.000 1.148 369 W HN -0.066 nan 8.180 nan 0.000 0.494 370 V N 0.415 120.129 119.914 -0.333 0.000 2.231 370 V HA -0.380 3.739 4.120 -0.002 0.000 0.248 370 V C 1.883 177.447 176.094 -0.883 0.000 1.054 370 V CA 2.496 64.257 62.300 -0.899 0.000 1.015 370 V CB -1.373 29.801 31.823 -1.081 0.000 0.638 370 V HN 0.390 nan 8.190 nan 0.000 0.444 371 W N -0.276 120.844 121.300 -0.301 0.000 2.350 371 W HA -0.211 4.448 4.660 -0.002 0.000 0.289 371 W C 2.840 179.229 176.519 -0.216 0.000 1.215 371 W CA 1.365 58.557 57.345 -0.255 0.000 1.236 371 W CB -0.855 28.497 29.460 -0.180 0.000 1.130 371 W HN 0.196 nan 8.180 nan 0.000 0.541 372 T N -0.397 114.103 114.554 -0.090 0.000 2.812 372 T HA -0.222 4.127 4.350 -0.002 0.000 0.264 372 T C 1.849 176.407 174.700 -0.237 0.000 1.042 372 T CA 1.688 63.718 62.100 -0.117 0.000 1.140 372 T CB -0.222 68.552 68.868 -0.157 0.000 0.870 372 T HN -0.009 nan 8.240 nan 0.000 0.445 373 Q N 0.564 120.028 119.800 -0.560 0.000 2.197 373 Q HA -0.060 4.279 4.340 -0.002 0.000 0.207 373 Q C 2.127 178.060 176.000 -0.112 0.000 0.984 373 Q CA 1.486 56.937 55.803 -0.586 0.000 0.869 373 Q CB -0.711 27.222 28.738 -1.341 0.000 0.906 373 Q HN 0.473 nan 8.270 nan 0.000 0.426 374 V N -0.392 119.496 119.914 -0.044 0.000 2.469 374 V HA -0.250 3.869 4.120 -0.002 0.000 0.251 374 V C 2.117 178.383 176.094 0.287 0.000 1.064 374 V CA 1.792 64.233 62.300 0.234 0.000 1.066 374 V CB -1.272 30.655 31.823 0.174 0.000 0.667 374 V HN 0.593 nan 8.190 nan 0.000 0.461 375 G N -0.125 108.790 108.800 0.192 0.000 2.450 375 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.220 375 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.220 375 G C 1.414 176.412 174.900 0.163 0.000 1.130 375 G CA 0.706 45.920 45.100 0.189 0.000 0.760 375 G HN 0.535 nan 8.290 nan 0.000 0.557 376 E N -0.078 120.226 120.200 0.175 0.000 2.150 376 E HA -0.083 4.266 4.350 -0.002 0.000 0.193 376 E C 1.999 178.741 176.600 0.237 0.000 0.985 376 E CA 0.499 57.017 56.400 0.197 0.000 0.814 376 E CB -0.297 29.528 29.700 0.208 0.000 0.752 376 E HN 0.561 nan 8.360 nan 0.000 0.466 377 F N 1.351 121.388 119.950 0.145 0.000 2.270 377 F HA 0.100 4.626 4.527 -0.002 0.000 0.295 377 F C 0.949 176.792 175.800 0.072 0.000 1.087 377 F CA 0.127 58.206 58.000 0.133 0.000 1.365 377 F CB 0.089 39.202 39.000 0.189 0.000 1.056 377 F HN -0.203 nan 8.300 nan 0.000 0.506 378 L N 2.620 123.821 121.223 -0.036 0.000 2.483 378 L HA 0.169 4.508 4.340 -0.002 0.000 0.275 378 L C 0.349 177.103 176.870 -0.193 0.000 1.220 378 L CA -0.043 54.690 54.840 -0.178 0.000 0.833 378 L CB 0.226 42.275 42.059 -0.018 0.000 1.102 378 L HN 0.189 nan 8.230 nan 0.000 0.490 379 R N 0.642 121.007 120.500 -0.225 0.000 2.836 379 R HA 0.474 4.812 4.340 -0.002 0.000 0.269 379 R C -1.065 175.166 176.300 -0.116 0.000 1.010 379 R CA -0.991 55.018 56.100 -0.151 0.000 0.930 379 R CB 1.314 31.510 30.300 -0.175 0.000 1.218 379 R HN 0.498 nan 8.270 nan 0.000 0.473 380 E N -0.017 120.138 120.200 -0.074 0.000 2.414 380 E HA 0.171 4.519 4.350 -0.002 0.000 0.263 380 E C 0.453 177.016 176.600 -0.062 0.000 1.000 380 E CA 1.247 57.614 56.400 -0.056 0.000 0.914 380 E CB 0.545 30.225 29.700 -0.034 0.000 0.948 380 E HN 0.907 nan 8.360 nan 0.000 0.444 381 G N 2.996 111.764 108.800 -0.053 0.000 2.194 381 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.236 381 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.236 381 G C -0.063 174.805 174.900 -0.053 0.000 0.987 381 G CA -0.105 44.968 45.100 -0.044 0.000 0.635 381 G HN 0.562 nan 8.290 nan 0.000 0.520 382 D N 0.255 120.603 120.400 -0.088 0.000 2.399 382 D HA 0.436 5.075 4.640 -0.002 0.000 0.241 382 D C 0.561 176.826 176.300 -0.059 0.000 1.133 382 D CA 0.180 54.122 54.000 -0.096 0.000 0.890 382 D CB 1.668 42.372 40.800 -0.161 0.000 1.201 382 D HN 0.158 nan 8.370 nan 0.000 0.432 383 V N 2.500 122.408 119.914 -0.010 0.000 2.370 383 V HA 0.232 4.351 4.120 -0.002 0.000 0.279 383 V C 0.119 176.229 176.094 0.027 0.000 1.029 383 V CA -0.692 61.640 62.300 0.054 0.000 0.870 383 V CB 1.695 33.575 31.823 0.095 0.000 0.984 383 V HN 0.212 nan 8.190 nan 0.000 0.451 384 V N 7.117 127.024 119.914 -0.012 0.000 2.334 384 V HA 0.487 4.605 4.120 -0.002 0.000 0.281 384 V C -0.148 176.034 176.094 0.148 0.000 1.016 384 V CA -0.304 62.024 62.300 0.047 0.000 0.832 384 V CB 1.338 33.093 31.823 -0.114 0.000 0.999 384 V HN 0.673 nan 8.190 nan 0.000 0.439 385 I N 4.997 125.686 120.570 0.197 0.000 2.339 385 I HA 0.547 4.716 4.170 -0.002 0.000 0.290 385 I C 0.249 176.532 176.117 0.277 0.000 0.994 385 I CA -0.176 61.238 61.300 0.190 0.000 1.191 385 I CB 2.071 40.141 38.000 0.116 0.000 1.343 385 I HN 0.674 nan 8.210 nan 0.000 0.458 386 T N 1.088 115.785 114.554 0.239 0.000 2.848 386 T HA 0.492 4.840 4.350 -0.002 0.000 0.285 386 T C -0.554 174.254 174.700 0.180 0.000 0.995 386 T CA -0.888 61.359 62.100 0.246 0.000 0.970 386 T CB 2.195 71.142 68.868 0.132 0.000 0.976 386 T HN 0.399 nan 8.240 nan 0.000 0.441 387 E N 1.930 122.249 120.200 0.198 0.000 2.343 387 E HA 0.378 4.727 4.350 -0.002 0.000 0.269 387 E C -0.095 176.577 176.600 0.120 0.000 1.047 387 E CA -0.214 56.286 56.400 0.165 0.000 0.874 387 E CB 0.661 30.463 29.700 0.170 0.000 1.033 387 E HN 0.705 nan 8.360 nan 0.000 0.409 388 T N 2.674 117.284 114.554 0.094 0.000 2.923 388 T HA 0.439 4.788 4.350 -0.002 0.000 0.304 388 T C 0.350 175.120 174.700 0.117 0.000 1.044 388 T CA 0.954 63.099 62.100 0.076 0.000 1.141 388 T CB -0.144 68.743 68.868 0.032 0.000 1.023 388 T HN 0.760 nan 8.240 nan 0.000 0.533 389 G N 2.319 111.227 108.800 0.179 0.000 2.343 389 G HA2 -0.013 3.945 3.960 -0.002 0.000 0.562 389 G HA3 -0.013 3.945 3.960 -0.002 0.000 0.562 389 G C 0.876 175.944 174.900 0.280 0.000 1.269 389 G CA 0.344 45.567 45.100 0.205 0.000 1.011 389 G HN 0.932 nan 8.290 nan 0.000 0.498 390 T N -1.774 112.922 114.554 0.236 0.000 2.778 390 T HA -0.106 4.242 4.350 -0.002 0.000 0.269 390 T C 2.405 177.204 174.700 0.165 0.000 1.050 390 T CA 2.864 65.103 62.100 0.232 0.000 1.137 390 T CB -0.495 68.505 68.868 0.221 0.000 0.860 390 T HN 0.981 nan 8.240 nan 0.000 0.468 391 S N 2.096 117.899 115.700 0.173 0.000 2.359 391 S HA 0.017 4.486 4.470 -0.002 0.000 0.224 391 S C 2.666 177.064 174.600 -0.337 0.000 1.035 391 S CA 1.141 59.326 58.200 -0.024 0.000 1.018 391 S CB -0.982 62.383 63.200 0.274 0.000 0.876 391 S HN 0.824 nan 8.310 nan 0.000 0.448 392 A N 0.632 123.370 122.820 -0.137 0.000 1.940 392 A HA -0.053 4.265 4.320 -0.002 0.000 0.219 392 A C 1.825 179.120 177.584 -0.483 0.000 1.176 392 A CA 1.397 53.270 52.037 -0.273 0.000 0.631 392 A CB -0.807 18.051 19.000 -0.237 0.000 0.814 392 A HN 0.499 nan 8.150 nan 0.000 0.446 393 F N -0.174 119.619 119.950 -0.262 0.000 2.367 393 F HA 0.108 4.634 4.527 -0.002 0.000 0.298 393 F C 2.549 178.060 175.800 -0.482 0.000 1.094 393 F CA 0.791 58.617 58.000 -0.290 0.000 1.409 393 F CB -0.539 38.362 39.000 -0.166 0.000 1.064 393 F HN 0.279 nan 8.300 nan 0.000 0.528 394 G N -0.099 108.272 108.800 -0.714 0.000 2.394 394 G HA2 -0.213 3.745 3.960 -0.002 0.000 0.215 394 G HA3 -0.213 3.745 3.960 -0.002 0.000 0.215 394 G C 1.614 175.762 174.900 -1.255 0.000 1.165 394 G CA 0.523 44.719 45.100 -1.506 0.000 0.784 394 G HN 0.278 nan 8.290 nan 0.000 0.535 395 I N 1.604 121.493 120.570 -1.136 0.000 2.567 395 I HA -0.100 4.068 4.170 -0.002 0.000 0.257 395 I C 1.880 177.780 176.117 -0.362 0.000 1.184 395 I CA 0.660 61.616 61.300 -0.574 0.000 1.451 395 I CB -0.171 37.629 38.000 -0.333 0.000 1.089 395 I HN 0.017 nan 8.210 nan 0.000 0.441 396 N N 0.344 118.818 118.700 -0.378 0.000 2.430 396 N HA -0.198 4.540 4.740 -0.002 0.000 0.186 396 N C 1.432 176.801 175.510 -0.235 0.000 1.032 396 N CA 0.905 53.778 53.050 -0.295 0.000 0.893 396 N CB -0.135 38.193 38.487 -0.266 0.000 0.957 396 N HN 0.497 nan 8.380 nan 0.000 0.442 397 Q N -0.676 119.010 119.800 -0.190 0.000 2.319 397 Q HA 0.190 4.529 4.340 -0.002 0.000 0.202 397 Q C -0.201 175.765 176.000 -0.056 0.000 0.896 397 Q CA 0.197 55.939 55.803 -0.101 0.000 0.942 397 Q CB 0.580 29.305 28.738 -0.022 0.000 1.083 397 Q HN 0.077 nan 8.270 nan 0.000 0.510 398 T N 1.179 115.697 114.554 -0.060 0.000 2.817 398 T HA 0.173 4.522 4.350 -0.002 0.000 0.293 398 T C -0.361 174.333 174.700 -0.009 0.000 0.964 398 T CA -0.390 61.751 62.100 0.068 0.000 1.085 398 T CB 0.469 69.461 68.868 0.207 0.000 0.921 398 T HN 0.163 nan 8.240 nan 0.000 0.502 399 H N 2.713 121.821 119.070 0.063 0.000 2.767 399 H HA 0.165 4.720 4.556 -0.002 0.000 0.316 399 H C -0.417 175.067 175.328 0.260 0.000 1.059 399 H CA -0.019 56.073 56.048 0.073 0.000 1.461 399 H CB 0.386 30.170 29.762 0.037 0.000 1.475 399 H HN 0.338 nan 8.280 nan 0.000 0.531 400 F N 4.057 124.033 119.950 0.044 0.000 2.404 400 F HA 0.257 4.782 4.527 -0.002 0.000 0.339 400 F C -1.635 174.163 175.800 -0.004 0.000 1.105 400 F CA -3.324 54.682 58.000 0.010 0.000 1.087 400 F CB 0.789 39.760 39.000 -0.048 0.000 1.143 400 F HN 0.367 nan 8.300 nan 0.000 0.491 401 P HA -0.033 nan 4.420 nan 0.000 0.271 401 P C -0.247 177.082 177.300 0.048 0.000 1.233 401 P CA -0.125 63.015 63.100 0.066 0.000 0.795 401 P CB 0.467 32.170 31.700 0.005 0.000 0.936 402 N N 1.490 120.200 118.700 0.017 0.000 2.374 402 N HA -0.053 4.685 4.740 -0.002 0.000 0.241 402 N C 0.552 176.062 175.510 -0.000 0.000 1.262 402 N CA 0.484 53.535 53.050 0.003 0.000 0.880 402 N CB -0.878 37.606 38.487 -0.004 0.000 1.105 402 N HN 0.471 nan 8.380 nan 0.000 0.438 403 N N -0.757 117.946 118.700 0.006 0.000 2.738 403 N HA -0.191 4.547 4.740 -0.002 0.000 0.249 403 N C -1.406 174.108 175.510 0.005 0.000 1.047 403 N CA 0.716 53.773 53.050 0.012 0.000 0.707 403 N CB -1.051 37.435 38.487 -0.001 0.000 0.937 403 N HN 0.470 nan 8.380 nan 0.000 0.545 404 T N 1.663 116.221 114.554 0.007 0.000 2.771 404 T HA 0.251 4.600 4.350 -0.002 0.000 0.281 404 T C -0.599 174.107 174.700 0.010 0.000 0.982 404 T CA -0.321 61.732 62.100 -0.078 0.000 0.978 404 T CB 0.803 69.499 68.868 -0.287 0.000 0.930 404 T HN 0.226 nan 8.240 nan 0.000 0.447 405 Y N 2.643 122.885 120.300 -0.098 0.000 2.385 405 Y HA 0.544 5.093 4.550 -0.002 0.000 0.341 405 Y C 0.538 176.428 175.900 -0.017 0.000 0.965 405 Y CA -0.747 57.336 58.100 -0.030 0.000 1.180 405 Y CB 0.503 38.946 38.460 -0.029 0.000 1.139 405 Y HN 0.763 nan 8.280 nan 0.000 0.502 406 G N 6.686 115.269 108.800 -0.362 0.000 2.372 406 G HA2 0.492 4.450 3.960 -0.002 0.000 0.283 406 G HA3 0.492 4.450 3.960 -0.002 0.000 0.283 406 G C -0.991 173.713 174.900 -0.326 0.000 1.177 406 G CA -0.624 44.387 45.100 -0.148 0.000 0.842 406 G HN 0.713 nan 8.290 nan 0.000 0.503 407 I N 1.458 122.000 120.570 -0.047 0.000 2.411 407 I HA 0.352 4.520 4.170 -0.002 0.000 0.284 407 I C -0.153 176.031 176.117 0.111 0.000 1.012 407 I CA -0.396 60.933 61.300 0.049 0.000 1.119 407 I CB 2.034 40.143 38.000 0.182 0.000 1.261 407 I HN 0.422 nan 8.210 nan 0.000 0.448 408 S N 5.525 121.268 115.700 0.073 0.000 2.737 408 S HA 0.155 4.624 4.470 -0.002 0.000 0.269 408 S C -0.441 174.160 174.600 0.002 0.000 1.150 408 S CA -0.510 57.723 58.200 0.054 0.000 1.077 408 S CB 1.123 64.316 63.200 -0.013 0.000 1.075 408 S HN 0.673 nan 8.310 nan 0.000 0.476 409 Q N 4.809 124.609 119.800 0.001 0.000 3.254 409 Q HA 0.190 4.529 4.340 -0.002 0.000 0.315 409 Q C 0.543 176.479 176.000 -0.106 0.000 1.405 409 Q CA -0.112 55.603 55.803 -0.146 0.000 0.966 409 Q CB -0.160 28.294 28.738 -0.472 0.000 1.706 409 Q HN 0.700 nan 8.270 nan 0.000 0.525 410 V N 2.133 121.996 119.914 -0.086 0.000 2.809 410 V HA -0.206 3.912 4.120 -0.002 0.000 0.256 410 V C 1.679 177.730 176.094 -0.072 0.000 1.080 410 V CA 0.982 63.251 62.300 -0.051 0.000 1.102 410 V CB -0.184 31.631 31.823 -0.014 0.000 0.705 410 V HN 0.562 nan 8.190 nan 0.000 0.475 411 L N -0.963 120.164 121.223 -0.159 0.000 2.121 411 L HA 0.039 4.378 4.340 -0.002 0.000 0.200 411 L C 2.096 178.924 176.870 -0.070 0.000 1.077 411 L CA 1.798 56.478 54.840 -0.266 0.000 0.766 411 L CB -0.554 41.281 42.059 -0.373 0.000 0.931 411 L HN 0.424 nan 8.230 nan 0.000 0.452 412 W N 0.811 121.984 121.300 -0.211 0.000 2.407 412 W HA 0.019 4.677 4.660 -0.003 0.000 0.305 412 W C 1.157 177.596 176.519 -0.133 0.000 1.196 412 W CA 1.260 58.510 57.345 -0.158 0.000 1.311 412 W CB -0.103 29.258 29.460 -0.164 0.000 1.135 412 W HN 0.402 nan 8.180 nan 0.000 0.514 413 G N 1.750 110.465 108.800 -0.142 0.000 2.314 413 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.292 413 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.292 413 G C -0.103 174.649 174.900 -0.247 0.000 1.059 413 G CA 0.549 45.540 45.100 -0.181 0.000 0.982 413 G HN 0.303 nan 8.290 nan 0.000 0.505 414 S N 0.115 115.693 115.700 -0.203 0.000 2.400 414 S HA 0.538 5.007 4.470 -0.002 0.000 0.295 414 S C 1.181 175.770 174.600 -0.017 0.000 1.113 414 S CA -0.388 57.754 58.200 -0.098 0.000 1.064 414 S CB -0.331 62.962 63.200 0.155 0.000 0.990 414 S HN 1.134 nan 8.310 nan 0.000 0.502 415 I N 2.734 123.289 120.570 -0.026 0.000 2.752 415 I HA 0.541 4.710 4.170 -0.002 0.000 0.287 415 I C 1.334 177.478 176.117 0.045 0.000 1.188 415 I CA 0.574 61.879 61.300 0.009 0.000 1.427 415 I CB 0.048 38.033 38.000 -0.026 0.000 1.365 415 I HN 0.765 nan 8.210 nan 0.000 0.585 416 G N 4.335 113.160 108.800 0.042 0.000 2.284 416 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.216 416 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.216 416 G C 0.537 175.344 174.900 -0.155 0.000 1.009 416 G CA 0.422 45.553 45.100 0.052 0.000 0.625 416 G HN 0.870 nan 8.290 nan 0.000 0.501 417 F N 3.146 122.690 119.950 -0.677 0.000 2.082 417 F HA -0.236 4.290 4.527 -0.002 0.000 0.298 417 F C 2.845 178.386 175.800 -0.433 0.000 1.091 417 F CA 3.711 61.047 58.000 -1.107 0.000 1.230 417 F CB -0.696 37.932 39.000 -0.619 0.000 0.983 417 F HN 0.499 nan 8.300 nan 0.000 0.485 418 T N -3.504 110.857 114.554 -0.323 0.000 2.995 418 T HA -0.102 4.246 4.350 -0.002 0.000 0.269 418 T C 1.771 176.345 174.700 -0.211 0.000 1.091 418 T CA 1.450 63.356 62.100 -0.324 0.000 1.128 418 T CB -1.021 67.832 68.868 -0.025 0.000 0.891 418 T HN 0.365 nan 8.240 nan 0.000 0.492 419 T N 1.501 115.990 114.554 -0.109 0.000 2.737 419 T HA 0.094 4.443 4.350 -0.002 0.000 0.265 419 T C 2.310 176.979 174.700 -0.051 0.000 1.038 419 T CA 1.242 63.332 62.100 -0.018 0.000 1.144 419 T CB -1.013 67.898 68.868 0.073 0.000 0.866 419 T HN 0.577 nan 8.240 nan 0.000 0.434 420 G N 1.192 109.960 108.800 -0.053 0.000 2.404 420 G HA2 0.020 3.978 3.960 -0.002 0.000 0.215 420 G HA3 0.020 3.978 3.960 -0.002 0.000 0.215 420 G C 1.897 176.683 174.900 -0.191 0.000 1.174 420 G CA 0.827 45.908 45.100 -0.033 0.000 0.780 420 G HN 0.562 nan 8.290 nan 0.000 0.537 421 A N 0.517 123.051 122.820 -0.476 0.000 1.917 421 A HA -0.118 4.201 4.320 -0.002 0.000 0.219 421 A C 2.521 179.980 177.584 -0.209 0.000 1.182 421 A CA 2.677 54.420 52.037 -0.490 0.000 0.633 421 A CB -1.171 17.260 19.000 -0.949 0.000 0.819 421 A HN 0.319 nan 8.150 nan 0.000 0.448 422 T N 0.026 114.481 114.554 -0.165 0.000 2.635 422 T HA -0.199 4.149 4.350 -0.002 0.000 0.267 422 T C 1.842 176.516 174.700 -0.044 0.000 1.040 422 T CA 1.628 63.691 62.100 -0.063 0.000 1.156 422 T CB -0.498 68.350 68.868 -0.033 0.000 0.863 422 T HN 0.388 nan 8.240 nan 0.000 0.430 423 L N 1.295 122.491 121.223 -0.046 0.000 1.990 423 L HA -0.028 4.311 4.340 -0.002 0.000 0.213 423 L C 2.628 179.553 176.870 0.092 0.000 1.072 423 L CA 2.331 57.156 54.840 -0.026 0.000 0.755 423 L CB -1.164 40.920 42.059 0.042 0.000 0.889 423 L HN 0.309 nan 8.230 nan 0.000 0.432 424 G N -1.357 107.492 108.800 0.081 0.000 2.418 424 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.217 424 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.217 424 G C 1.571 176.648 174.900 0.295 0.000 1.158 424 G CA 0.810 46.035 45.100 0.209 0.000 0.771 424 G HN 0.671 nan 8.290 nan 0.000 0.545 425 A N 0.904 123.786 122.820 0.104 0.000 1.969 425 A HA 0.380 4.698 4.320 -0.002 0.000 0.218 425 A C 2.746 180.361 177.584 0.052 0.000 1.169 425 A CA 1.982 54.055 52.037 0.059 0.000 0.635 425 A CB -0.547 18.478 19.000 0.042 0.000 0.810 425 A HN 0.702 nan 8.150 nan 0.000 0.445 426 A N -1.073 121.764 122.820 0.029 0.000 1.929 426 A HA 0.103 4.422 4.320 -0.002 0.000 0.216 426 A C 1.872 179.451 177.584 -0.008 0.000 1.176 426 A CA 1.254 53.272 52.037 -0.031 0.000 0.628 426 A CB -0.669 18.261 19.000 -0.116 0.000 0.816 426 A HN 0.410 nan 8.150 nan 0.000 0.444 427 F N 0.426 120.445 119.950 0.115 0.000 2.095 427 F HA -0.137 4.388 4.527 -0.002 0.000 0.298 427 F C 2.824 178.693 175.800 0.114 0.000 1.104 427 F CA 1.060 59.132 58.000 0.119 0.000 1.232 427 F CB -0.790 38.326 39.000 0.193 0.000 0.987 427 F HN 0.259 nan 8.300 nan 0.000 0.475 428 A N -0.038 122.943 122.820 0.268 0.000 1.858 428 A HA -0.085 4.233 4.320 -0.002 0.000 0.216 428 A C 2.420 179.968 177.584 -0.060 0.000 1.190 428 A CA 1.964 53.932 52.037 -0.115 0.000 0.617 428 A CB -1.429 17.334 19.000 -0.395 0.000 0.827 428 A HN 0.312 nan 8.150 nan 0.000 0.443 429 A N -0.499 122.304 122.820 -0.027 0.000 1.978 429 A HA -0.204 4.115 4.320 -0.002 0.000 0.220 429 A C 2.038 179.620 177.584 -0.003 0.000 1.170 429 A CA 1.862 53.880 52.037 -0.030 0.000 0.636 429 A CB -0.536 18.455 19.000 -0.015 0.000 0.810 429 A HN 0.709 nan 8.150 nan 0.000 0.448 430 E N -0.150 120.069 120.200 0.031 0.000 2.106 430 E HA -0.217 4.132 4.350 -0.002 0.000 0.192 430 E C 1.815 178.441 176.600 0.044 0.000 0.984 430 E CA 1.350 57.777 56.400 0.044 0.000 0.806 430 E CB -0.110 29.634 29.700 0.074 0.000 0.750 430 E HN 0.765 nan 8.360 nan 0.000 0.458 431 E N 0.166 120.396 120.200 0.050 0.000 2.152 431 E HA -0.112 4.237 4.350 -0.002 0.000 0.192 431 E C 2.127 178.728 176.600 0.002 0.000 0.983 431 E CA 0.867 57.289 56.400 0.036 0.000 0.818 431 E CB 0.070 29.800 29.700 0.050 0.000 0.758 431 E HN 0.358 nan 8.360 nan 0.000 0.467 432 I N 0.507 121.063 120.570 -0.022 0.000 2.193 432 I HA -0.117 4.052 4.170 -0.002 0.000 0.240 432 I C 0.606 176.710 176.117 -0.021 0.000 1.084 432 I CA 0.734 62.012 61.300 -0.037 0.000 1.365 432 I CB 0.303 38.262 38.000 -0.070 0.000 1.064 432 I HN 0.030 nan 8.210 nan 0.000 0.410 433 D N -1.003 119.389 120.400 -0.014 0.000 2.614 433 D HA 0.133 4.772 4.640 -0.002 0.000 0.203 433 D C -2.324 173.975 176.300 -0.001 0.000 1.312 433 D CA -1.424 52.572 54.000 -0.008 0.000 0.889 433 D CB 1.480 42.271 40.800 -0.016 0.000 1.615 433 D HN -0.230 nan 8.370 nan 0.000 0.567 434 P HA -0.084 nan 4.420 nan 0.000 0.223 434 P C 0.963 178.268 177.300 0.008 0.000 1.144 434 P CA 0.708 63.816 63.100 0.013 0.000 0.783 434 P CB 0.356 32.067 31.700 0.018 0.000 0.771 435 K N -0.425 119.976 120.400 0.002 0.000 2.418 435 K HA 0.006 4.325 4.320 -0.002 0.000 0.195 435 K C 0.815 177.412 176.600 -0.004 0.000 1.035 435 K CA 0.144 56.431 56.287 -0.001 0.000 1.003 435 K CB -0.273 32.223 32.500 -0.007 0.000 0.793 435 K HN 0.225 nan 8.250 nan 0.000 0.494 436 K N 2.105 122.501 120.400 -0.005 0.000 2.378 436 K HA 0.032 4.350 4.320 -0.002 0.000 0.288 436 K C -0.492 176.114 176.600 0.011 0.000 1.057 436 K CA -0.023 56.258 56.287 -0.010 0.000 0.971 436 K CB 0.415 32.905 32.500 -0.016 0.000 0.975 436 K HN -0.062 nan 8.250 nan 0.000 0.475 437 R N 2.454 122.960 120.500 0.010 0.000 2.390 437 R HA 0.209 4.548 4.340 -0.002 0.000 0.291 437 R C -0.612 175.728 176.300 0.067 0.000 1.070 437 R CA -0.705 55.436 56.100 0.067 0.000 1.014 437 R CB 1.189 31.509 30.300 0.032 0.000 1.007 437 R HN 0.269 nan 8.270 nan 0.000 0.466 438 V N 5.481 125.471 119.914 0.127 0.000 2.357 438 V HA 0.344 4.463 4.120 -0.002 0.000 0.284 438 V C 0.007 176.211 176.094 0.183 0.000 1.018 438 V CA -0.504 61.861 62.300 0.109 0.000 0.841 438 V CB 1.202 33.064 31.823 0.066 0.000 0.991 438 V HN 0.612 nan 8.190 nan 0.000 0.437 439 I N 6.114 126.768 120.570 0.141 0.000 2.382 439 I HA 0.403 4.571 4.170 -0.002 0.000 0.286 439 I C -0.727 175.423 176.117 0.056 0.000 1.002 439 I CA -0.628 60.761 61.300 0.149 0.000 1.135 439 I CB 1.760 39.836 38.000 0.126 0.000 1.288 439 I HN 0.401 nan 8.210 nan 0.000 0.448 440 L N 7.758 129.001 121.223 0.033 0.000 2.295 440 L HA 0.581 4.920 4.340 -0.002 0.000 0.285 440 L C -1.434 175.379 176.870 -0.094 0.000 1.035 440 L CA 0.067 54.927 54.840 0.033 0.000 0.806 440 L CB 0.839 42.946 42.059 0.079 0.000 1.214 440 L HN 0.242 nan 8.230 nan 0.000 0.426 441 F N 6.589 126.724 119.950 0.308 0.000 2.403 441 F HA 0.570 5.096 4.527 -0.002 0.000 0.355 441 F C -0.053 175.914 175.800 0.277 0.000 1.119 441 F CA -0.382 57.828 58.000 0.349 0.000 1.007 441 F CB 1.382 40.638 39.000 0.428 0.000 1.194 441 F HN 0.349 nan 8.300 nan 0.000 0.443 442 I N 2.087 122.889 120.570 0.387 0.000 2.533 442 I HA 0.679 4.848 4.170 -0.002 0.000 0.290 442 I C 0.163 176.424 176.117 0.241 0.000 1.056 442 I CA -0.512 60.948 61.300 0.267 0.000 1.057 442 I CB 1.548 39.659 38.000 0.185 0.000 1.240 442 I HN 0.615 nan 8.210 nan 0.000 0.423 443 G N 4.131 113.061 108.800 0.217 0.000 2.544 443 G HA2 0.060 4.019 3.960 -0.002 0.000 0.242 443 G HA3 0.060 4.019 3.960 -0.002 0.000 0.242 443 G C 0.659 175.637 174.900 0.129 0.000 1.247 443 G CA 0.134 45.347 45.100 0.187 0.000 0.840 443 G HN 0.827 nan 8.290 nan 0.000 0.578 444 D N 1.048 121.500 120.400 0.087 0.000 2.182 444 D HA -0.130 4.509 4.640 -0.002 0.000 0.201 444 D C 2.150 178.481 176.300 0.052 0.000 0.986 444 D CA 1.478 55.505 54.000 0.045 0.000 0.847 444 D CB -0.862 39.977 40.800 0.065 0.000 0.942 444 D HN 0.468 nan 8.370 nan 0.000 0.467 445 G N 0.272 109.155 108.800 0.138 0.000 2.414 445 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.215 445 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.215 445 G C 1.863 176.902 174.900 0.231 0.000 1.188 445 G CA 1.142 46.415 45.100 0.288 0.000 0.783 445 G HN 0.358 nan 8.290 nan 0.000 0.537 446 S N 0.428 116.232 115.700 0.174 0.000 2.382 446 S HA -0.121 4.347 4.470 -0.002 0.000 0.228 446 S C 2.180 176.855 174.600 0.124 0.000 1.027 446 S CA 1.117 59.390 58.200 0.122 0.000 0.991 446 S CB -0.312 62.954 63.200 0.110 0.000 0.823 446 S HN 0.254 nan 8.310 nan 0.000 0.469 447 L N 2.199 123.495 121.223 0.122 0.000 2.081 447 L HA -0.200 4.139 4.340 -0.002 0.000 0.212 447 L C 2.192 179.174 176.870 0.186 0.000 1.080 447 L CA 1.788 56.723 54.840 0.158 0.000 0.754 447 L CB -0.775 41.391 42.059 0.177 0.000 0.893 447 L HN 0.320 nan 8.230 nan 0.000 0.433 448 Q N -1.061 118.753 119.800 0.024 0.000 2.181 448 Q HA -0.227 4.112 4.340 -0.002 0.000 0.205 448 Q C 2.200 178.347 176.000 0.246 0.000 0.980 448 Q CA 1.623 57.415 55.803 -0.019 0.000 0.862 448 Q CB -0.328 28.159 28.738 -0.419 0.000 0.905 448 Q HN 0.445 nan 8.270 nan 0.000 0.429 449 L N 0.037 121.377 121.223 0.195 0.000 2.131 449 L HA -0.124 4.214 4.340 -0.002 0.000 0.210 449 L C 2.022 179.038 176.870 0.244 0.000 1.092 449 L CA 1.875 56.845 54.840 0.217 0.000 0.759 449 L CB -0.200 41.976 42.059 0.195 0.000 0.903 449 L HN 0.343 nan 8.230 nan 0.000 0.435 450 T N -6.712 107.991 114.554 0.248 0.000 3.209 450 T HA 0.117 4.465 4.350 -0.002 0.000 0.295 450 T C 1.352 176.181 174.700 0.215 0.000 0.977 450 T CA 0.227 62.466 62.100 0.233 0.000 0.922 450 T CB -0.243 68.778 68.868 0.254 0.000 1.152 450 T HN -0.107 nan 8.240 nan 0.000 0.527 451 V N 2.777 122.871 119.914 0.299 0.000 2.439 451 V HA -0.281 3.838 4.120 -0.002 0.000 0.253 451 V C 2.779 179.000 176.094 0.211 0.000 1.074 451 V CA 2.737 65.256 62.300 0.365 0.000 1.076 451 V CB -0.411 31.791 31.823 0.632 0.000 0.664 451 V HN 0.770 nan 8.190 nan 0.000 0.461 452 Q N -0.953 118.878 119.800 0.052 0.000 2.369 452 Q HA -0.219 4.120 4.340 -0.002 0.000 0.206 452 Q C 1.787 177.614 176.000 -0.289 0.000 0.963 452 Q CA 1.624 57.241 55.803 -0.310 0.000 0.894 452 Q CB -0.453 28.158 28.738 -0.211 0.000 0.965 452 Q HN 0.599 nan 8.270 nan 0.000 0.475 453 E N 1.352 121.505 120.200 -0.077 0.000 2.333 453 E HA -0.018 4.331 4.350 -0.002 0.000 0.198 453 E C 1.815 178.388 176.600 -0.046 0.000 1.007 453 E CA 0.509 56.886 56.400 -0.038 0.000 0.845 453 E CB -0.367 29.353 29.700 0.033 0.000 0.766 453 E HN 0.501 nan 8.360 nan 0.000 0.507 454 I N -0.319 120.229 120.570 -0.036 0.000 2.194 454 I HA -0.354 3.814 4.170 -0.002 0.000 0.246 454 I C 2.405 178.497 176.117 -0.042 0.000 1.093 454 I CA 1.346 62.659 61.300 0.023 0.000 1.355 454 I CB -0.536 37.584 38.000 0.201 0.000 1.046 454 I HN 0.124 nan 8.210 nan 0.000 0.413 455 S N 0.450 115.989 115.700 -0.269 0.000 2.372 455 S HA -0.262 4.207 4.470 -0.002 0.000 0.227 455 S C 2.021 176.585 174.600 -0.060 0.000 1.044 455 S CA 2.558 60.620 58.200 -0.230 0.000 1.050 455 S CB -0.448 62.474 63.200 -0.465 0.000 0.901 455 S HN 0.513 nan 8.310 nan 0.000 0.447 456 T N 2.079 116.622 114.554 -0.018 0.000 2.904 456 T HA 0.053 4.402 4.350 -0.002 0.000 0.267 456 T C 1.833 176.625 174.700 0.153 0.000 1.059 456 T CA 1.449 63.622 62.100 0.121 0.000 1.137 456 T CB -0.284 68.683 68.868 0.165 0.000 0.879 456 T HN 0.443 nan 8.240 nan 0.000 0.467 457 M N 0.588 120.212 119.600 0.040 0.000 2.086 457 M HA 0.008 4.486 4.480 -0.002 0.000 0.261 457 M C 2.218 178.530 176.300 0.021 0.000 1.067 457 M CA 1.718 57.006 55.300 -0.019 0.000 1.116 457 M CB -0.709 31.867 32.600 -0.041 0.000 1.348 457 M HN 0.172 nan 8.290 nan 0.000 0.407 458 I N -0.468 120.116 120.570 0.023 0.000 2.163 458 I HA -0.310 3.859 4.170 -0.002 0.000 0.243 458 I C 2.787 178.909 176.117 0.009 0.000 1.085 458 I CA 1.288 62.599 61.300 0.019 0.000 1.347 458 I CB -0.571 37.441 38.000 0.021 0.000 1.044 458 I HN 0.308 nan 8.210 nan 0.000 0.408 459 R N 0.294 120.797 120.500 0.005 0.000 2.113 459 R HA -0.230 4.109 4.340 -0.002 0.000 0.244 459 R C 1.765 177.940 176.300 -0.207 0.000 1.142 459 R CA 2.183 58.222 56.100 -0.102 0.000 0.953 459 R CB -0.322 29.922 30.300 -0.092 0.000 0.860 459 R HN 0.405 nan 8.270 nan 0.000 0.438 460 W N -0.425 120.889 121.300 0.023 0.000 3.290 460 W HA 0.240 4.899 4.660 -0.002 0.000 0.287 460 W C 1.027 177.542 176.519 -0.007 0.000 1.288 460 W CA 0.526 57.898 57.345 0.045 0.000 1.725 460 W CB 0.309 29.838 29.460 0.114 0.000 1.103 460 W HN 0.374 nan 8.180 nan 0.000 0.670 461 G N 1.402 110.266 108.800 0.107 0.000 2.249 461 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.273 461 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.273 461 G C 0.096 175.021 174.900 0.042 0.000 1.036 461 G CA -0.096 45.039 45.100 0.058 0.000 0.824 461 G HN 0.199 nan 8.290 nan 0.000 0.504 462 L N -1.435 119.793 121.223 0.007 0.000 2.453 462 L HA 0.519 4.857 4.340 -0.002 0.000 0.261 462 L C 0.954 177.783 176.870 -0.067 0.000 1.179 462 L CA -0.215 54.587 54.840 -0.063 0.000 0.813 462 L CB 0.836 42.780 42.059 -0.193 0.000 1.110 462 L HN 0.056 nan 8.230 nan 0.000 0.466 463 K N 1.346 121.697 120.400 -0.081 0.000 3.167 463 K HA 0.262 4.581 4.320 -0.002 0.000 0.208 463 K C -2.433 174.062 176.600 -0.176 0.000 1.159 463 K CA -1.114 55.097 56.287 -0.126 0.000 1.018 463 K CB 0.168 32.595 32.500 -0.121 0.000 0.927 463 K HN 0.287 nan 8.250 nan 0.000 0.476 464 P HA 0.023 nan 4.420 nan 0.000 0.276 464 P C -0.789 176.403 177.300 -0.180 0.000 1.252 464 P CA -0.311 62.752 63.100 -0.060 0.000 0.802 464 P CB 0.611 32.302 31.700 -0.016 0.000 1.035 465 Y N 0.335 120.594 120.300 -0.068 0.000 2.367 465 Y HA 0.298 4.847 4.550 -0.002 0.000 0.342 465 Y C 0.582 176.404 175.900 -0.130 0.000 0.979 465 Y CA -0.226 57.786 58.100 -0.147 0.000 1.161 465 Y CB 0.468 38.902 38.460 -0.044 0.000 1.155 465 Y HN 0.027 nan 8.280 nan 0.000 0.503 466 L N 5.750 126.911 121.223 -0.103 0.000 2.314 466 L HA 0.369 4.708 4.340 -0.002 0.000 0.275 466 L C -1.033 175.783 176.870 -0.089 0.000 1.068 466 L CA -0.382 54.437 54.840 -0.036 0.000 0.894 466 L CB -0.239 41.816 42.059 -0.006 0.000 1.275 466 L HN 0.458 nan 8.230 nan 0.000 0.432 467 F N 2.090 122.001 119.950 -0.065 0.000 2.420 467 F HA 0.324 4.849 4.527 -0.002 0.000 0.352 467 F C 0.418 176.277 175.800 0.097 0.000 1.108 467 F CA -0.525 57.481 58.000 0.011 0.000 1.162 467 F CB 1.253 40.253 39.000 -0.000 0.000 1.118 467 F HN 0.013 nan 8.300 nan 0.000 0.510 468 V N 5.383 125.432 119.914 0.225 0.000 2.357 468 V HA 0.249 4.367 4.120 -0.002 0.000 0.284 468 V C 0.017 176.188 176.094 0.129 0.000 1.018 468 V CA -0.817 61.548 62.300 0.108 0.000 0.841 468 V CB 1.518 33.268 31.823 -0.121 0.000 0.991 468 V HN 0.502 nan 8.190 nan 0.000 0.437 469 L N 4.775 126.109 121.223 0.184 0.000 2.334 469 L HA 0.315 4.654 4.340 -0.002 0.000 0.286 469 L C 0.489 177.421 176.870 0.103 0.000 1.108 469 L CA 0.004 54.956 54.840 0.188 0.000 0.875 469 L CB 0.279 42.495 42.059 0.262 0.000 1.246 469 L HN 0.624 nan 8.230 nan 0.000 0.439 470 N N 4.036 122.781 118.700 0.076 0.000 2.439 470 N HA 0.019 4.758 4.740 -0.002 0.000 0.243 470 N C 0.220 175.788 175.510 0.096 0.000 1.088 470 N CA -0.137 52.962 53.050 0.081 0.000 0.940 470 N CB 0.435 38.992 38.487 0.117 0.000 1.180 470 N HN 0.531 nan 8.380 nan 0.000 0.505 471 N N 1.805 120.559 118.700 0.090 0.000 2.365 471 N HA 0.107 4.846 4.740 -0.002 0.000 0.257 471 N C -0.546 174.994 175.510 0.051 0.000 1.287 471 N CA -0.430 52.665 53.050 0.076 0.000 0.882 471 N CB 0.099 38.641 38.487 0.092 0.000 1.250 471 N HN 0.277 nan 8.380 nan 0.000 0.507 472 D N -0.835 119.592 120.400 0.044 0.000 2.746 472 D HA -0.052 4.587 4.640 -0.002 0.000 0.236 472 D C 0.505 176.778 176.300 -0.044 0.000 1.129 472 D CA 1.892 55.895 54.000 0.005 0.000 0.691 472 D CB -1.216 39.586 40.800 0.004 0.000 1.077 472 D HN 0.908 nan 8.370 nan 0.000 0.432 473 G N -0.850 107.915 108.800 -0.058 0.000 2.306 473 G HA2 -0.038 3.920 3.960 -0.002 0.000 0.262 473 G HA3 -0.038 3.920 3.960 -0.002 0.000 0.262 473 G C -1.067 173.838 174.900 0.008 0.000 1.263 473 G CA -0.411 44.585 45.100 -0.174 0.000 1.088 473 G HN 0.178 nan 8.290 nan 0.000 0.489 474 Y N 2.363 122.688 120.300 0.040 0.000 2.667 474 Y HA 0.426 4.975 4.550 -0.002 0.000 0.340 474 Y C 2.283 178.218 175.900 0.058 0.000 1.303 474 Y CA 0.048 58.182 58.100 0.057 0.000 1.769 474 Y CB -0.401 38.103 38.460 0.074 0.000 1.804 474 Y HN 0.501 nan 8.280 nan 0.000 0.451 475 T N 1.141 115.814 114.554 0.199 0.000 2.652 475 T HA -0.256 4.093 4.350 -0.002 0.000 0.267 475 T C 2.179 176.943 174.700 0.106 0.000 1.039 475 T CA 1.697 63.873 62.100 0.127 0.000 1.153 475 T CB -0.200 68.733 68.868 0.109 0.000 0.863 475 T HN 0.663 nan 8.240 nan 0.000 0.428 476 I N 0.542 121.177 120.570 0.108 0.000 2.264 476 I HA -0.234 3.934 4.170 -0.002 0.000 0.248 476 I C 2.518 178.667 176.117 0.053 0.000 1.111 476 I CA 1.699 63.030 61.300 0.052 0.000 1.382 476 I CB -0.074 37.963 38.000 0.061 0.000 1.060 476 I HN 0.227 nan 8.210 nan 0.000 0.418 477 E N 0.621 120.881 120.200 0.100 0.000 2.106 477 E HA -0.206 4.143 4.350 -0.002 0.000 0.192 477 E C 2.261 178.946 176.600 0.143 0.000 0.984 477 E CA 1.052 57.525 56.400 0.123 0.000 0.806 477 E CB 0.004 29.801 29.700 0.163 0.000 0.750 477 E HN 0.366 nan 8.360 nan 0.000 0.458 478 R N -0.350 120.227 120.500 0.129 0.000 2.091 478 R HA -0.166 4.173 4.340 -0.002 0.000 0.238 478 R C 1.997 178.326 176.300 0.047 0.000 1.136 478 R CA 1.128 57.276 56.100 0.080 0.000 0.959 478 R CB -0.332 30.001 30.300 0.055 0.000 0.856 478 R HN 0.156 nan 8.270 nan 0.000 0.437 479 L N 0.325 121.570 121.223 0.037 0.000 2.131 479 L HA -0.140 4.199 4.340 -0.002 0.000 0.210 479 L C 2.062 178.945 176.870 0.022 0.000 1.092 479 L CA 1.588 56.435 54.840 0.011 0.000 0.759 479 L CB -0.366 41.682 42.059 -0.018 0.000 0.903 479 L HN 0.187 nan 8.230 nan 0.000 0.435 480 I N -2.826 117.774 120.570 0.051 0.000 2.339 480 I HA -0.086 4.083 4.170 -0.002 0.000 0.245 480 I C 0.354 176.569 176.117 0.164 0.000 1.096 480 I CA 0.433 61.777 61.300 0.073 0.000 1.408 480 I CB 0.197 38.232 38.000 0.058 0.000 1.092 480 I HN 0.247 nan 8.210 nan 0.000 0.423 481 H N -1.001 118.106 119.070 0.062 0.000 3.140 481 H HA 0.428 4.982 4.556 -0.002 0.000 0.336 481 H C -0.177 175.242 175.328 0.152 0.000 1.142 481 H CA -0.249 55.854 56.048 0.091 0.000 1.308 481 H CB 1.283 31.099 29.762 0.091 0.000 1.970 481 H HN 0.148 nan 8.280 nan 0.000 0.521 482 G N 3.443 112.079 108.800 -0.274 0.000 2.370 482 G HA2 -0.271 3.687 3.960 -0.002 0.000 0.268 482 G HA3 -0.271 3.687 3.960 -0.002 0.000 0.268 482 G C 0.859 175.684 174.900 -0.126 0.000 1.122 482 G CA 0.609 45.610 45.100 -0.165 0.000 0.963 482 G HN 0.819 nan 8.290 nan 0.000 0.500 483 E N -0.233 119.897 120.200 -0.116 0.000 2.097 483 E HA -0.181 4.168 4.350 -0.002 0.000 0.196 483 E C 2.023 178.571 176.600 -0.087 0.000 1.000 483 E CA 1.989 58.346 56.400 -0.072 0.000 0.804 483 E CB -0.034 29.628 29.700 -0.062 0.000 0.740 483 E HN 0.853 nan 8.360 nan 0.000 0.454 484 T N -2.165 112.315 114.554 -0.124 0.000 3.331 484 T HA 0.651 5.000 4.350 -0.002 0.000 0.282 484 T C -0.147 174.441 174.700 -0.185 0.000 1.010 484 T CA -0.198 61.828 62.100 -0.123 0.000 0.928 484 T CB 0.937 69.751 68.868 -0.090 0.000 1.154 484 T HN 0.271 nan 8.240 nan 0.000 0.516 485 A N 1.245 123.885 122.820 -0.300 0.000 2.316 485 A HA 0.520 4.839 4.320 -0.002 0.000 0.284 485 A C 1.495 178.794 177.584 -0.474 0.000 1.115 485 A CA -0.652 51.084 52.037 -0.502 0.000 0.812 485 A CB 0.814 19.217 19.000 -0.995 0.000 1.064 485 A HN 0.330 nan 8.150 nan 0.000 0.489 486 Q N 1.099 120.685 119.800 -0.357 0.000 2.167 486 Q HA -0.204 4.135 4.340 -0.002 0.000 0.202 486 Q C 1.388 177.313 176.000 -0.125 0.000 0.970 486 Q CA 2.421 58.116 55.803 -0.180 0.000 0.855 486 Q CB -0.313 28.378 28.738 -0.078 0.000 0.911 486 Q HN 0.996 nan 8.270 nan 0.000 0.438 487 Y N -0.474 119.850 120.300 0.041 0.000 2.403 487 Y HA 0.048 4.597 4.550 -0.002 0.000 0.291 487 Y C 1.233 177.204 175.900 0.118 0.000 1.143 487 Y CA 0.913 59.061 58.100 0.080 0.000 1.257 487 Y CB -0.789 37.733 38.460 0.103 0.000 0.984 487 Y HN 0.062 nan 8.280 nan 0.000 0.550 488 N N -0.310 118.441 118.700 0.085 0.000 2.398 488 N HA 0.062 4.801 4.740 -0.002 0.000 0.188 488 N C -0.394 175.017 175.510 -0.165 0.000 1.122 488 N CA 0.255 53.388 53.050 0.139 0.000 0.866 488 N CB -0.141 38.419 38.487 0.123 0.000 0.970 488 N HN 0.259 nan 8.380 nan 0.000 0.462 489 C N 1.331 120.516 119.300 -0.191 0.000 2.398 489 C HA 0.618 5.076 4.460 -0.002 0.000 0.364 489 C C 0.863 175.661 174.990 -0.320 0.000 1.219 489 C CA -1.041 57.840 59.018 -0.228 0.000 2.312 489 C CB 0.116 27.773 27.740 -0.138 0.000 2.428 489 C HN 0.297 nan 8.230 nan 0.000 0.564 490 I N -0.097 120.288 120.570 -0.308 0.000 2.892 490 I HA 0.560 4.729 4.170 -0.002 0.000 0.306 490 I C -0.643 175.375 176.117 -0.165 0.000 1.078 490 I CA -0.693 60.434 61.300 -0.289 0.000 1.032 490 I CB 1.369 39.122 38.000 -0.412 0.000 1.229 490 I HN 0.470 nan 8.210 nan 0.000 0.435 491 Q N 3.165 122.896 119.800 -0.115 0.000 2.274 491 Q HA 0.149 4.487 4.340 -0.002 0.000 0.280 491 Q C -0.982 174.980 176.000 -0.064 0.000 1.047 491 Q CA 0.812 56.608 55.803 -0.011 0.000 0.907 491 Q CB 0.123 28.950 28.738 0.148 0.000 1.171 491 Q HN 0.718 nan 8.270 nan 0.000 0.381 492 N N 4.275 122.993 118.700 0.031 0.000 2.430 492 N HA 0.164 4.902 4.740 -0.002 0.000 0.265 492 N C -1.191 174.434 175.510 0.193 0.000 1.100 492 N CA -0.390 52.681 53.050 0.035 0.000 0.961 492 N CB 0.515 39.022 38.487 0.033 0.000 1.075 492 N HN 0.449 nan 8.380 nan 0.000 0.478 493 W N 0.762 121.936 121.300 -0.210 0.000 2.509 493 W HA 0.295 4.953 4.660 -0.002 0.000 0.351 493 W C 0.195 176.441 176.519 -0.455 0.000 1.107 493 W CA -0.760 56.397 57.345 -0.313 0.000 1.264 493 W CB 0.467 29.735 29.460 -0.321 0.000 1.312 493 W HN 0.259 nan 8.180 nan 0.000 0.608 494 Q N 2.249 121.994 119.800 -0.091 0.000 2.553 494 Q HA 0.055 4.393 4.340 -0.002 0.000 0.221 494 Q C 0.778 176.725 176.000 -0.089 0.000 1.219 494 Q CA 0.066 55.812 55.803 -0.095 0.000 0.955 494 Q CB -0.145 28.549 28.738 -0.074 0.000 1.399 494 Q HN 0.606 nan 8.270 nan 0.000 0.551 495 H N 0.769 119.912 119.070 0.122 0.000 2.421 495 H HA -0.097 4.458 4.556 -0.002 0.000 0.298 495 H C 1.556 176.914 175.328 0.050 0.000 1.087 495 H CA 1.120 57.238 56.048 0.117 0.000 1.330 495 H CB 0.321 30.164 29.762 0.135 0.000 1.388 495 H HN 0.368 nan 8.280 nan 0.000 0.526 496 L N 0.425 121.730 121.223 0.136 0.000 2.275 496 L HA -0.098 4.240 4.340 -0.002 0.000 0.215 496 L C 1.515 178.402 176.870 0.027 0.000 1.119 496 L CA 0.741 55.634 54.840 0.089 0.000 0.790 496 L CB -0.075 42.035 42.059 0.083 0.000 0.919 496 L HN 0.296 nan 8.230 nan 0.000 0.443 497 E N 0.066 120.247 120.200 -0.032 0.000 2.489 497 E HA 0.043 4.391 4.350 -0.002 0.000 0.193 497 E C 2.220 178.682 176.600 -0.229 0.000 1.057 497 E CA 0.245 56.577 56.400 -0.114 0.000 0.866 497 E CB 0.204 29.829 29.700 -0.125 0.000 0.916 497 E HN 0.490 nan 8.360 nan 0.000 0.500 498 L N 0.043 121.143 121.223 -0.206 0.000 2.056 498 L HA -0.144 4.195 4.340 -0.002 0.000 0.207 498 L C 2.320 178.945 176.870 -0.408 0.000 1.078 498 L CA 0.915 55.538 54.840 -0.363 0.000 0.749 498 L CB -0.362 41.626 42.059 -0.119 0.000 0.901 498 L HN 0.145 nan 8.230 nan 0.000 0.433 499 L N -0.130 120.923 121.223 -0.284 0.000 1.994 499 L HA -0.149 4.190 4.340 -0.002 0.000 0.208 499 L C -0.182 176.405 176.870 -0.471 0.000 1.071 499 L CA 1.479 56.105 54.840 -0.358 0.000 0.745 499 L CB -1.847 39.900 42.059 -0.521 0.000 0.892 499 L HN 0.238 nan 8.230 nan 0.000 0.431 500 P HA -0.116 nan 4.420 nan 0.000 0.217 500 P C 1.492 178.659 177.300 -0.222 0.000 1.151 500 P CA 1.424 64.313 63.100 -0.353 0.000 0.828 500 P CB -0.179 31.396 31.700 -0.209 0.000 0.788 501 T N -0.122 114.251 114.554 -0.302 0.000 2.778 501 T HA -0.131 4.218 4.350 -0.002 0.000 0.269 501 T C 0.916 175.495 174.700 -0.201 0.000 1.050 501 T CA 1.264 63.168 62.100 -0.326 0.000 1.137 501 T CB -0.708 67.849 68.868 -0.519 0.000 0.860 501 T HN 0.026 nan 8.240 nan 0.000 0.468 502 F N 0.629 120.512 119.950 -0.112 0.000 2.664 502 F HA 0.451 4.976 4.527 -0.002 0.000 0.301 502 F C 1.807 177.557 175.800 -0.084 0.000 1.126 502 F CA -0.886 57.063 58.000 -0.085 0.000 1.373 502 F CB -0.711 38.246 39.000 -0.071 0.000 1.042 502 F HN 0.262 nan 8.300 nan 0.000 0.535 503 G N 0.078 108.906 108.800 0.048 0.000 2.141 503 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.242 503 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.242 503 G C 0.500 175.395 174.900 -0.008 0.000 0.982 503 G CA -0.115 44.994 45.100 0.014 0.000 0.662 503 G HN 0.670 nan 8.290 nan 0.000 0.527 504 A N -0.353 122.429 122.820 -0.064 0.000 2.511 504 A HA 0.616 4.934 4.320 -0.002 0.000 0.242 504 A C 1.303 178.923 177.584 0.059 0.000 1.069 504 A CA 0.967 52.967 52.037 -0.063 0.000 0.763 504 A CB 0.421 19.268 19.000 -0.256 0.000 1.001 504 A HN 0.188 nan 8.150 nan 0.000 0.498 505 K N 0.544 121.036 120.400 0.154 0.000 2.425 505 K HA 0.121 4.440 4.320 -0.002 0.000 0.201 505 K C -0.554 176.164 176.600 0.198 0.000 1.128 505 K CA 0.405 56.801 56.287 0.182 0.000 1.000 505 K CB 0.591 33.138 32.500 0.079 0.000 0.961 505 K HN 0.759 nan 8.250 nan 0.000 0.555 506 D N 0.666 121.194 120.400 0.214 0.000 2.389 506 D HA 0.229 4.868 4.640 -0.002 0.000 0.256 506 D C -1.250 175.145 176.300 0.158 0.000 1.239 506 D CA -0.559 53.497 54.000 0.094 0.000 0.925 506 D CB 0.227 41.049 40.800 0.037 0.000 1.145 506 D HN 0.034 nan 8.370 nan 0.000 0.542 507 Y N -0.446 119.830 120.300 -0.040 0.000 2.702 507 Y HA 0.616 5.165 4.550 -0.002 0.000 0.336 507 Y C -1.532 174.341 175.900 -0.045 0.000 1.203 507 Y CA -1.118 56.950 58.100 -0.053 0.000 1.072 507 Y CB 0.838 39.273 38.460 -0.042 0.000 1.327 507 Y HN 0.024 nan 8.280 nan 0.000 0.456 508 E N 1.144 121.313 120.200 -0.052 0.000 2.238 508 E HA 0.830 5.179 4.350 -0.002 0.000 0.267 508 E C -1.498 175.173 176.600 0.119 0.000 0.887 508 E CA -1.383 54.968 56.400 -0.083 0.000 0.769 508 E CB 2.375 32.051 29.700 -0.040 0.000 1.187 508 E HN 0.869 nan 8.360 nan 0.000 0.416 509 A N 1.899 124.786 122.820 0.111 0.000 2.385 509 A HA 0.620 4.938 4.320 -0.002 0.000 0.290 509 A C -0.998 176.620 177.584 0.058 0.000 1.094 509 A CA -0.672 51.445 52.037 0.133 0.000 0.729 509 A CB 0.789 19.931 19.000 0.237 0.000 1.194 509 A HN 0.420 nan 8.150 nan 0.000 0.442 510 V N 0.007 119.931 119.914 0.018 0.000 2.925 510 V HA 0.828 4.947 4.120 -0.002 0.000 0.311 510 V C -0.498 175.594 176.094 -0.002 0.000 1.104 510 V CA -1.024 61.271 62.300 -0.010 0.000 0.954 510 V CB 1.754 33.540 31.823 -0.061 0.000 1.022 510 V HN 1.033 nan 8.190 nan 0.000 0.427 511 R N 2.344 122.851 120.500 0.013 0.000 2.407 511 R HA 0.850 5.188 4.340 -0.002 0.000 0.303 511 R C -0.963 175.354 176.300 0.028 0.000 0.981 511 R CA -0.361 55.762 56.100 0.038 0.000 0.905 511 R CB 1.933 32.266 30.300 0.055 0.000 1.099 511 R HN 1.309 nan 8.270 nan 0.000 0.459 512 V N 0.946 120.900 119.914 0.066 0.000 2.656 512 V HA 0.566 4.685 4.120 -0.002 0.000 0.307 512 V C -0.447 175.721 176.094 0.123 0.000 1.051 512 V CA -0.395 61.962 62.300 0.096 0.000 0.893 512 V CB 2.166 34.070 31.823 0.135 0.000 0.999 512 V HN 0.858 nan 8.190 nan 0.000 0.426 513 S N 1.919 117.670 115.700 0.085 0.000 2.653 513 S HA 0.255 4.723 4.470 -0.002 0.000 0.259 513 S C 0.710 175.312 174.600 0.004 0.000 1.076 513 S CA 0.525 58.755 58.200 0.050 0.000 1.051 513 S CB 0.653 63.870 63.200 0.027 0.000 0.994 513 S HN 1.212 nan 8.310 nan 0.000 0.552 514 T N -1.302 113.252 114.554 -0.000 0.000 2.916 514 T HA 0.452 4.801 4.350 -0.002 0.000 0.292 514 T C 0.973 175.603 174.700 -0.117 0.000 1.064 514 T CA -0.270 61.777 62.100 -0.088 0.000 1.011 514 T CB 1.249 70.071 68.868 -0.077 0.000 1.152 514 T HN -0.191 nan 8.240 nan 0.000 0.510 515 T N 1.521 115.859 114.554 -0.359 0.000 2.620 515 T HA -0.113 4.235 4.350 -0.002 0.000 0.267 515 T C 2.142 176.805 174.700 -0.061 0.000 1.044 515 T CA 2.601 64.382 62.100 -0.531 0.000 1.161 515 T CB -1.104 67.349 68.868 -0.692 0.000 0.862 515 T HN 0.886 nan 8.240 nan 0.000 0.438 516 G N 0.380 109.157 108.800 -0.038 0.000 2.402 516 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.216 516 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.216 516 G C 1.466 176.410 174.900 0.073 0.000 1.162 516 G CA 0.772 45.893 45.100 0.036 0.000 0.777 516 G HN 0.531 nan 8.290 nan 0.000 0.539 517 E N -0.715 119.521 120.200 0.060 0.000 2.077 517 E HA -0.119 4.230 4.350 -0.002 0.000 0.193 517 E C 2.009 178.668 176.600 0.097 0.000 0.989 517 E CA 0.665 57.099 56.400 0.056 0.000 0.800 517 E CB -0.212 29.512 29.700 0.040 0.000 0.746 517 E HN 0.586 nan 8.360 nan 0.000 0.452 518 W N 2.249 123.558 121.300 0.015 0.000 2.354 518 W HA -0.186 4.472 4.660 -0.002 0.000 0.315 518 W C 1.507 178.069 176.519 0.072 0.000 1.206 518 W CA 1.408 58.799 57.345 0.077 0.000 1.290 518 W CB -0.439 29.166 29.460 0.242 0.000 1.152 518 W HN 0.060 nan 8.180 nan 0.000 0.489 519 N N 0.911 119.889 118.700 0.463 0.000 2.043 519 N HA -0.231 4.507 4.740 -0.002 0.000 0.193 519 N C 1.690 177.257 175.510 0.094 0.000 1.037 519 N CA 2.143 55.376 53.050 0.305 0.000 0.851 519 N CB -1.005 37.669 38.487 0.311 0.000 1.027 519 N HN 0.195 nan 8.380 nan 0.000 0.422 520 K N 0.147 120.575 120.400 0.048 0.000 2.113 520 K HA -0.115 4.203 4.320 -0.002 0.000 0.208 520 K C 1.891 178.422 176.600 -0.116 0.000 1.047 520 K CA 0.846 57.123 56.287 -0.016 0.000 0.928 520 K CB -0.165 32.327 32.500 -0.013 0.000 0.716 520 K HN 0.021 nan 8.250 nan 0.000 0.446 521 L N 0.287 121.354 121.223 -0.259 0.000 2.049 521 L HA -0.103 4.236 4.340 -0.002 0.000 0.203 521 L C 2.273 178.714 176.870 -0.714 0.000 1.074 521 L CA 2.240 56.736 54.840 -0.573 0.000 0.749 521 L CB -0.834 40.747 42.059 -0.797 0.000 0.907 521 L HN 0.375 nan 8.230 nan 0.000 0.439 522 T N -4.472 109.752 114.554 -0.550 0.000 2.951 522 T HA -0.129 4.220 4.350 -0.002 0.000 0.268 522 T C 1.581 176.409 174.700 0.214 0.000 1.073 522 T CA 1.298 63.247 62.100 -0.252 0.000 1.134 522 T CB -1.108 67.543 68.868 -0.361 0.000 0.884 522 T HN 0.498 nan 8.240 nan 0.000 0.479 523 T N -0.784 113.846 114.554 0.127 0.000 3.129 523 T HA 0.094 4.442 4.350 -0.002 0.000 0.251 523 T C 0.498 175.292 174.700 0.156 0.000 1.117 523 T CA -0.342 61.862 62.100 0.175 0.000 1.034 523 T CB -0.402 68.547 68.868 0.136 0.000 0.968 523 T HN 0.437 nan 8.240 nan 0.000 0.526 524 D N 1.728 122.216 120.400 0.147 0.000 2.390 524 D HA 0.001 4.640 4.640 -0.002 0.000 0.249 524 D C 0.919 177.348 176.300 0.215 0.000 1.144 524 D CA 0.025 54.114 54.000 0.148 0.000 0.880 524 D CB 1.314 42.181 40.800 0.112 0.000 1.182 524 D HN 0.490 nan 8.370 nan 0.000 0.451 525 E N 3.333 123.622 120.200 0.149 0.000 2.107 525 E HA -0.166 4.183 4.350 -0.002 0.000 0.191 525 E C 1.288 177.974 176.600 0.144 0.000 0.982 525 E CA 0.953 57.433 56.400 0.133 0.000 0.809 525 E CB 0.301 30.052 29.700 0.085 0.000 0.756 525 E HN 0.416 nan 8.360 nan 0.000 0.459 526 K N -0.271 120.216 120.400 0.144 0.000 2.116 526 K HA -0.080 4.239 4.320 -0.002 0.000 0.203 526 K C 1.898 178.604 176.600 0.176 0.000 1.052 526 K CA 0.934 57.296 56.287 0.126 0.000 0.952 526 K CB -0.239 32.316 32.500 0.093 0.000 0.729 526 K HN 0.122 nan 8.250 nan 0.000 0.446 527 F N 2.654 122.667 119.950 0.104 0.000 2.202 527 F HA -0.232 4.294 4.527 -0.002 0.000 0.301 527 F C 1.810 177.808 175.800 0.330 0.000 1.082 527 F CA 1.638 59.739 58.000 0.168 0.000 1.313 527 F CB 0.066 39.141 39.000 0.125 0.000 1.024 527 F HN 0.028 nan 8.300 nan 0.000 0.495 528 Q N -0.801 119.162 119.800 0.272 0.000 2.424 528 Q HA -0.041 4.298 4.340 -0.002 0.000 0.204 528 Q C -0.006 176.046 176.000 0.087 0.000 0.933 528 Q CA 0.210 56.130 55.803 0.195 0.000 0.929 528 Q CB -0.010 28.826 28.738 0.164 0.000 1.037 528 Q HN 0.219 nan 8.270 nan 0.000 0.511 529 D N 1.759 122.215 120.400 0.092 0.000 2.264 529 D HA -0.016 4.623 4.640 -0.002 0.000 0.250 529 D C -0.272 176.067 176.300 0.064 0.000 1.113 529 D CA -0.433 53.603 54.000 0.061 0.000 0.871 529 D CB 0.655 41.479 40.800 0.039 0.000 1.167 529 D HN 0.106 nan 8.370 nan 0.000 0.447 530 N N 2.493 121.235 118.700 0.070 0.000 3.193 530 N HA -0.030 4.709 4.740 -0.002 0.000 0.312 530 N C 0.197 175.675 175.510 -0.053 0.000 1.261 530 N CA -0.124 52.934 53.050 0.014 0.000 1.208 530 N CB 0.106 38.640 38.487 0.079 0.000 1.471 530 N HN 0.167 nan 8.380 nan 0.000 0.548 531 T N -0.262 114.245 114.554 -0.077 0.000 3.035 531 T HA 0.030 4.379 4.350 -0.002 0.000 0.259 531 T C 0.755 175.410 174.700 -0.075 0.000 1.078 531 T CA 0.435 62.501 62.100 -0.057 0.000 1.132 531 T CB 0.228 69.075 68.868 -0.035 0.000 0.900 531 T HN 0.662 nan 8.240 nan 0.000 0.480 532 R N -0.197 120.225 120.500 -0.131 0.000 2.734 532 R HA 0.567 4.906 4.340 -0.002 0.000 0.271 532 R C -1.283 174.907 176.300 -0.185 0.000 1.021 532 R CA -0.956 55.077 56.100 -0.112 0.000 0.893 532 R CB 0.815 31.071 30.300 -0.074 0.000 1.244 532 R HN 0.119 nan 8.270 nan 0.000 0.464 533 I N 1.123 121.625 120.570 -0.113 0.000 2.754 533 I HA 0.215 4.384 4.170 -0.002 0.000 0.285 533 I C -0.482 175.551 176.117 -0.141 0.000 1.166 533 I CA -0.159 61.056 61.300 -0.142 0.000 1.417 533 I CB 0.427 38.394 38.000 -0.055 0.000 1.382 533 I HN 0.590 nan 8.210 nan 0.000 0.588 534 R N 6.768 127.133 120.500 -0.224 0.000 2.698 534 R HA 0.588 4.927 4.340 -0.002 0.000 0.275 534 R C -1.673 174.543 176.300 -0.140 0.000 1.001 534 R CA -0.928 55.073 56.100 -0.166 0.000 0.896 534 R CB 2.151 32.279 30.300 -0.287 0.000 1.218 534 R HN 0.556 nan 8.270 nan 0.000 0.462 535 L N 2.692 123.878 121.223 -0.062 0.000 2.385 535 L HA 0.607 4.945 4.340 -0.002 0.000 0.273 535 L C -1.557 175.254 176.870 -0.099 0.000 0.990 535 L CA -0.894 53.904 54.840 -0.070 0.000 0.821 535 L CB 1.615 43.682 42.059 0.015 0.000 1.279 535 L HN 0.559 nan 8.230 nan 0.000 0.412 536 I N 4.175 124.627 120.570 -0.197 0.000 2.420 536 I HA 0.324 4.493 4.170 -0.002 0.000 0.282 536 I C -0.260 175.842 176.117 -0.025 0.000 1.019 536 I CA -0.153 61.027 61.300 -0.200 0.000 1.130 536 I CB 1.724 39.386 38.000 -0.565 0.000 1.262 536 I HN 0.531 nan 8.210 nan 0.000 0.454 537 E N 5.869 126.090 120.200 0.035 0.000 2.194 537 E HA 0.453 4.801 4.350 -0.002 0.000 0.284 537 E C -1.251 175.429 176.600 0.132 0.000 1.035 537 E CA -0.458 55.991 56.400 0.083 0.000 0.836 537 E CB 1.042 30.811 29.700 0.114 0.000 1.070 537 E HN 0.398 nan 8.360 nan 0.000 0.401 538 V N 6.476 126.499 119.914 0.183 0.000 2.328 538 V HA 0.239 4.358 4.120 -0.002 0.000 0.278 538 V C -0.005 176.187 176.094 0.164 0.000 1.021 538 V CA -0.728 61.717 62.300 0.243 0.000 0.838 538 V CB 1.179 33.223 31.823 0.370 0.000 0.999 538 V HN 0.762 nan 8.190 nan 0.000 0.447 539 M N 6.861 126.541 119.600 0.135 0.000 2.144 539 M HA 0.604 5.083 4.480 -0.002 0.000 0.356 539 M C -0.739 175.604 176.300 0.072 0.000 1.217 539 M CA -0.048 55.309 55.300 0.096 0.000 1.087 539 M CB 0.781 33.427 32.600 0.077 0.000 1.609 539 M HN 0.409 nan 8.290 nan 0.000 0.467 540 L N 3.940 125.203 121.223 0.066 0.000 2.424 540 L HA 0.591 4.930 4.340 -0.002 0.000 0.258 540 L C -2.301 174.595 176.870 0.043 0.000 0.995 540 L CA -2.001 52.868 54.840 0.049 0.000 0.821 540 L CB 2.419 44.517 42.059 0.065 0.000 1.383 540 L HN 0.410 nan 8.230 nan 0.000 0.410 541 P HA -0.011 nan 4.420 nan 0.000 0.269 541 P C 0.510 177.831 177.300 0.036 0.000 1.217 541 P CA -0.066 63.048 63.100 0.025 0.000 0.783 541 P CB 0.694 32.403 31.700 0.015 0.000 0.898 542 T N 0.333 114.903 114.554 0.027 0.000 2.777 542 T HA -0.068 4.280 4.350 -0.002 0.000 0.266 542 T C 1.378 176.099 174.700 0.035 0.000 1.040 542 T CA 1.284 63.401 62.100 0.029 0.000 1.141 542 T CB -0.370 68.506 68.868 0.013 0.000 0.868 542 T HN 0.143 nan 8.240 nan 0.000 0.444 543 M N 1.463 121.078 119.600 0.026 0.000 2.431 543 M HA 0.312 4.791 4.480 -0.002 0.000 0.237 543 M C 0.203 176.522 176.300 0.031 0.000 1.130 543 M CA -0.091 55.223 55.300 0.024 0.000 1.002 543 M CB -0.728 31.878 32.600 0.010 0.000 1.524 543 M HN 0.257 nan 8.290 nan 0.000 0.482 544 D N 1.723 122.147 120.400 0.040 0.000 2.382 544 D HA 0.530 5.168 4.640 -0.002 0.000 0.245 544 D C -0.729 175.616 176.300 0.075 0.000 1.120 544 D CA 0.219 54.249 54.000 0.049 0.000 0.890 544 D CB 1.041 41.869 40.800 0.047 0.000 1.201 544 D HN 0.305 nan 8.370 nan 0.000 0.433 545 A N 3.120 125.989 122.820 0.081 0.000 2.601 545 A HA 0.596 4.915 4.320 -0.002 0.000 0.291 545 A C -2.791 174.861 177.584 0.112 0.000 1.075 545 A CA -1.318 50.779 52.037 0.101 0.000 0.671 545 A CB 0.839 19.862 19.000 0.038 0.000 1.277 545 A HN 0.472 nan 8.150 nan 0.000 0.417 546 P HA 0.149 nan 4.420 nan 0.000 0.265 546 P C 0.813 178.140 177.300 0.045 0.000 1.187 546 P CA 0.359 63.526 63.100 0.112 0.000 0.766 546 P CB 0.684 32.420 31.700 0.060 0.000 0.820 547 S N 1.458 117.186 115.700 0.046 0.000 2.400 547 S HA -0.165 4.304 4.470 -0.002 0.000 0.232 547 S C 1.400 175.996 174.600 -0.007 0.000 1.025 547 S CA 1.348 59.560 58.200 0.020 0.000 0.993 547 S CB -0.763 62.452 63.200 0.025 0.000 0.808 547 S HN 0.579 nan 8.310 nan 0.000 0.478 548 N N 0.469 119.159 118.700 -0.016 0.000 2.457 548 N HA 0.031 4.770 4.740 -0.002 0.000 0.180 548 N C 1.427 176.898 175.510 -0.065 0.000 1.050 548 N CA 0.288 53.316 53.050 -0.036 0.000 0.906 548 N CB -0.010 38.453 38.487 -0.039 0.000 0.968 548 N HN 0.196 nan 8.380 nan 0.000 0.445 549 L N 0.582 121.754 121.223 -0.086 0.000 2.249 549 L HA 0.068 4.407 4.340 -0.002 0.000 0.207 549 L C 1.847 178.650 176.870 -0.111 0.000 1.090 549 L CA 0.906 55.648 54.840 -0.164 0.000 0.802 549 L CB -0.102 41.809 42.059 -0.248 0.000 0.947 549 L HN -0.142 nan 8.230 nan 0.000 0.453 550 V N -0.343 119.535 119.914 -0.060 0.000 2.270 550 V HA -0.258 3.861 4.120 -0.002 0.000 0.245 550 V C 2.576 178.648 176.094 -0.036 0.000 1.043 550 V CA 1.847 64.125 62.300 -0.037 0.000 1.014 550 V CB -0.515 31.299 31.823 -0.014 0.000 0.645 550 V HN 0.348 nan 8.190 nan 0.000 0.447 551 K N -0.324 120.056 120.400 -0.033 0.000 2.032 551 K HA -0.218 4.101 4.320 -0.002 0.000 0.209 551 K C 2.294 178.873 176.600 -0.034 0.000 1.048 551 K CA 1.462 57.732 56.287 -0.029 0.000 0.927 551 K CB -0.327 32.157 32.500 -0.025 0.000 0.712 551 K HN 0.292 nan 8.250 nan 0.000 0.441 552 Q N -0.115 119.657 119.800 -0.046 0.000 2.124 552 Q HA -0.032 4.306 4.340 -0.002 0.000 0.202 552 Q C 1.964 177.939 176.000 -0.042 0.000 0.977 552 Q CA 1.719 57.495 55.803 -0.045 0.000 0.850 552 Q CB -0.447 28.259 28.738 -0.054 0.000 0.901 552 Q HN 0.376 nan 8.270 nan 0.000 0.429 553 A N 0.195 122.985 122.820 -0.050 0.000 1.892 553 A HA -0.334 3.985 4.320 -0.002 0.000 0.218 553 A C 2.054 179.624 177.584 -0.022 0.000 1.188 553 A CA 1.973 53.987 52.037 -0.037 0.000 0.631 553 A CB -0.656 18.320 19.000 -0.040 0.000 0.822 553 A HN 0.420 nan 8.150 nan 0.000 0.447 554 Q N -0.519 119.268 119.800 -0.022 0.000 2.096 554 Q HA -0.092 4.247 4.340 -0.002 0.000 0.204 554 Q C 2.102 178.093 176.000 -0.014 0.000 0.982 554 Q CA 1.705 57.499 55.803 -0.015 0.000 0.850 554 Q CB -0.319 28.410 28.738 -0.015 0.000 0.901 554 Q HN 0.726 nan 8.270 nan 0.000 0.422 555 L N -0.218 120.994 121.223 -0.018 0.000 2.027 555 L HA -0.162 4.176 4.340 -0.002 0.000 0.206 555 L C 2.695 179.557 176.870 -0.014 0.000 1.074 555 L CA 1.626 56.456 54.840 -0.016 0.000 0.745 555 L CB -1.122 40.925 42.059 -0.020 0.000 0.898 555 L HN 0.437 nan 8.230 nan 0.000 0.433 556 T N -2.073 112.472 114.554 -0.015 0.000 2.777 556 T HA -0.125 4.224 4.350 -0.002 0.000 0.266 556 T C 2.011 176.709 174.700 -0.002 0.000 1.040 556 T CA 0.953 63.047 62.100 -0.011 0.000 1.141 556 T CB -0.383 68.477 68.868 -0.013 0.000 0.868 556 T HN 0.280 nan 8.240 nan 0.000 0.444 557 A N 1.865 124.685 122.820 0.001 0.000 1.958 557 A HA 0.147 4.466 4.320 -0.002 0.000 0.221 557 A C 2.760 180.347 177.584 0.005 0.000 1.178 557 A CA 2.326 54.368 52.037 0.008 0.000 0.642 557 A CB -1.349 17.654 19.000 0.005 0.000 0.816 557 A HN 0.875 nan 8.150 nan 0.000 0.453 558 A N -1.865 120.954 122.820 -0.001 0.000 1.943 558 A HA 0.227 4.545 4.320 -0.002 0.000 0.213 558 A C 1.636 179.218 177.584 -0.003 0.000 1.181 558 A CA 1.362 53.398 52.037 -0.002 0.000 0.653 558 A CB -0.803 18.193 19.000 -0.005 0.000 0.833 558 A HN 0.458 nan 8.150 nan 0.000 0.451 559 T N -0.194 114.356 114.554 -0.005 0.000 2.898 559 T HA 0.096 4.444 4.350 -0.002 0.000 0.301 559 T C 0.784 175.481 174.700 -0.005 0.000 1.049 559 T CA -0.181 61.914 62.100 -0.007 0.000 1.095 559 T CB 0.143 69.005 68.868 -0.011 0.000 0.976 559 T HN 0.372 nan 8.240 nan 0.000 0.539 560 N N 1.786 120.482 118.700 -0.006 0.000 2.336 560 N HA 0.128 4.867 4.740 -0.002 0.000 0.189 560 N C 0.408 175.913 175.510 -0.009 0.000 1.113 560 N CA -0.090 52.957 53.050 -0.005 0.000 0.858 560 N CB 0.133 38.617 38.487 -0.005 0.000 0.970 560 N HN 0.713 nan 8.380 nan 0.000 0.471 561 A N 1.387 124.200 122.820 -0.011 0.000 2.546 561 A HA 0.115 4.434 4.320 -0.002 0.000 0.243 561 A C 0.150 177.724 177.584 -0.016 0.000 1.063 561 A CA 0.526 52.555 52.037 -0.015 0.000 0.757 561 A CB 0.110 19.100 19.000 -0.017 0.000 0.991 561 A HN 0.012 nan 8.150 nan 0.000 0.503 562 K N 2.809 123.198 120.400 -0.019 0.000 2.530 562 K HA 0.350 4.669 4.320 -0.002 0.000 0.230 562 K C -0.298 176.286 176.600 -0.027 0.000 1.002 562 K CA -0.100 56.173 56.287 -0.023 0.000 1.014 562 K CB 0.282 32.768 32.500 -0.023 0.000 1.286 562 K HN 0.949 nan 8.250 nan 0.000 0.480 563 N N 0.000 118.681 118.700 -0.031 0.000 1.763 563 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 563 N CA 0.000 53.029 53.050 -0.035 0.000 0.885 563 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 563 N HN 0.000 nan 8.380 nan 0.000 0.667