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 3m0l_1_C DATA FIRST_RESID 3 DATA SEQUENCE EFRIAQDVVA RENDRRASAL KEDYEALGAN LARRGVDIEA VTAKVEKFFV DATA SEQUENCE AVPSWGVGTG GTRFARFPGT GEPRGIFDKL DDCAVIQQLT RATPNVSLHI DATA SEQUENCE PWDKADPKEL KARGDALGLG FDAMNSNTFS DAPGQAHSYK YGSLSHTNAA DATA SEQUENCE TRAQAVEHNL ECIEIGKAIG SKALTVWIGD GSNFPGQSNF TRAFERYLSA DATA SEQUENCE MAEIYKGLPD DWKLFSEHKM YEPAFYSTVV QDWGTNYLIA QTLGPKAQCL DATA SEQUENCE VDLGHHAPNT NIEMIVARLI QFGKLGGFHF NDSKYGDDDL DAGAIEPYRL DATA SEQUENCE FLVFNELVDA EARGVKGFHP AHMIDQFHNV TDPIESLINS ANEIRRAYAQ DATA SEQUENCE ALLVDRAALS GYQEDNDALM ATETLKRAYR TDVEPILAEA RRRTGGAVDP DATA SEQUENCE VATYRASGYR ARVAAERPAS VAGGGGII 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.536 176.600 -0.107 0.000 1.382 3 E CA 0.000 56.440 56.400 0.067 0.000 0.976 3 E CB 0.000 29.711 29.700 0.018 0.000 0.812 4 F N 4.118 124.079 119.950 0.019 0.000 2.434 4 F HA 0.431 4.959 4.527 0.002 0.000 0.355 4 F C 1.443 177.266 175.800 0.038 0.000 1.115 4 F CA -0.870 57.140 58.000 0.016 0.000 1.010 4 F CB 1.188 40.194 39.000 0.010 0.000 1.234 4 F HN 0.422 nan 8.300 nan 0.000 0.439 5 R N 1.808 122.389 120.500 0.135 0.000 2.117 5 R HA -0.060 4.281 4.340 0.002 0.000 0.243 5 R C 0.331 176.745 176.300 0.190 0.000 1.143 5 R CA 1.265 57.461 56.100 0.160 0.000 0.968 5 R CB -0.116 30.214 30.300 0.050 0.000 0.863 5 R HN 0.469 nan 8.270 nan 0.000 0.444 6 I N 0.878 121.534 120.570 0.143 0.000 2.378 6 I HA 0.208 4.379 4.170 0.002 0.000 0.291 6 I C 0.086 176.286 176.117 0.138 0.000 0.992 6 I CA -0.844 60.533 61.300 0.129 0.000 1.154 6 I CB 1.777 39.819 38.000 0.070 0.000 1.315 6 I HN -0.026 nan 8.210 nan 0.000 0.448 7 A N 5.648 128.524 122.820 0.094 0.000 2.584 7 A HA -0.027 4.294 4.320 0.002 0.000 0.239 7 A C 1.152 178.739 177.584 0.004 0.000 1.043 7 A CA 0.332 52.393 52.037 0.040 0.000 0.756 7 A CB 0.094 19.106 19.000 0.020 0.000 0.963 7 A HN 0.905 nan 8.150 nan 0.000 0.511 8 Q N 1.247 120.998 119.800 -0.082 0.000 2.170 8 Q HA -0.237 4.104 4.340 0.002 0.000 0.203 8 Q C 1.418 177.374 176.000 -0.073 0.000 0.976 8 Q CA 1.958 57.686 55.803 -0.125 0.000 0.858 8 Q CB -0.175 28.377 28.738 -0.311 0.000 0.907 8 Q HN 1.065 nan 8.270 nan 0.000 0.433 9 D N -0.503 119.858 120.400 -0.065 0.000 2.178 9 D HA -0.143 4.498 4.640 0.002 0.000 0.201 9 D C 1.647 177.933 176.300 -0.023 0.000 0.980 9 D CA 0.950 54.924 54.000 -0.044 0.000 0.842 9 D CB -0.211 40.565 40.800 -0.039 0.000 0.948 9 D HN 0.015 nan 8.370 nan 0.000 0.472 10 V N 0.396 120.303 119.914 -0.012 0.000 2.379 10 V HA -0.179 3.942 4.120 0.002 0.000 0.245 10 V C 2.640 178.736 176.094 0.004 0.000 1.044 10 V CA 1.129 63.428 62.300 -0.001 0.000 1.036 10 V CB -0.216 31.613 31.823 0.010 0.000 0.664 10 V HN 0.219 nan 8.190 nan 0.000 0.453 11 V N 0.503 120.423 119.914 0.009 0.000 2.343 11 V HA -0.245 3.877 4.120 0.002 0.000 0.247 11 V C 2.713 178.809 176.094 0.002 0.000 1.051 11 V CA 2.022 64.331 62.300 0.015 0.000 1.036 11 V CB -1.160 30.681 31.823 0.030 0.000 0.654 11 V HN 0.546 nan 8.190 nan 0.000 0.451 12 A N -0.025 122.789 122.820 -0.010 0.000 1.877 12 A HA -0.241 4.080 4.320 0.002 0.000 0.216 12 A C 2.435 180.011 177.584 -0.013 0.000 1.186 12 A CA 1.998 54.026 52.037 -0.016 0.000 0.620 12 A CB -0.589 18.394 19.000 -0.027 0.000 0.822 12 A HN 0.450 nan 8.150 nan 0.000 0.443 13 R N -0.450 120.043 120.500 -0.012 0.000 2.080 13 R HA -0.162 4.179 4.340 0.002 0.000 0.236 13 R C 1.725 178.021 176.300 -0.006 0.000 1.137 13 R CA 1.751 57.846 56.100 -0.010 0.000 0.943 13 R CB -0.255 30.039 30.300 -0.009 0.000 0.846 13 R HN 0.426 nan 8.270 nan 0.000 0.431 14 E N 0.211 120.410 120.200 -0.002 0.000 2.338 14 E HA -0.118 4.233 4.350 0.002 0.000 0.197 14 E C 1.369 177.969 176.600 0.000 0.000 1.007 14 E CA 0.868 57.269 56.400 0.002 0.000 0.849 14 E CB -0.244 29.462 29.700 0.009 0.000 0.774 14 E HN 0.538 nan 8.360 nan 0.000 0.506 15 N N 0.448 119.147 118.700 -0.003 0.000 2.220 15 N HA -0.085 4.656 4.740 0.002 0.000 0.182 15 N C 1.199 176.702 175.510 -0.011 0.000 1.023 15 N CA 0.532 53.578 53.050 -0.007 0.000 0.856 15 N CB 0.187 38.669 38.487 -0.009 0.000 0.997 15 N HN 0.027 nan 8.380 nan 0.000 0.429 16 D N 1.162 121.555 120.400 -0.011 0.000 2.149 16 D HA -0.177 4.465 4.640 0.002 0.000 0.198 16 D C 1.776 178.070 176.300 -0.010 0.000 0.990 16 D CA 0.855 54.847 54.000 -0.012 0.000 0.839 16 D CB -0.203 40.590 40.800 -0.012 0.000 0.948 16 D HN 0.216 nan 8.370 nan 0.000 0.460 17 R N 0.698 121.193 120.500 -0.007 0.000 2.159 17 R HA -0.068 4.273 4.340 0.002 0.000 0.237 17 R C 1.364 177.661 176.300 -0.005 0.000 1.131 17 R CA 1.077 57.173 56.100 -0.005 0.000 0.982 17 R CB 0.187 30.485 30.300 -0.004 0.000 0.868 17 R HN 0.111 nan 8.270 nan 0.000 0.453 18 R N -1.523 118.974 120.500 -0.006 0.000 2.476 18 R HA 0.254 4.595 4.340 0.002 0.000 0.276 18 R C 1.604 177.899 176.300 -0.008 0.000 0.941 18 R CA 0.367 56.464 56.100 -0.005 0.000 1.088 18 R CB 0.736 31.034 30.300 -0.004 0.000 1.216 18 R HN 0.087 nan 8.270 nan 0.000 0.533 19 A N 0.969 123.782 122.820 -0.012 0.000 1.902 19 A HA -0.200 4.122 4.320 0.002 0.000 0.217 19 A C 2.139 179.717 177.584 -0.011 0.000 1.181 19 A CA 2.020 54.047 52.037 -0.017 0.000 0.623 19 A CB -0.472 18.516 19.000 -0.020 0.000 0.818 19 A HN 0.255 nan 8.150 nan 0.000 0.443 20 S N -0.452 115.244 115.700 -0.007 0.000 2.356 20 S HA -0.075 4.396 4.470 0.002 0.000 0.223 20 S C 2.207 176.809 174.600 0.003 0.000 1.032 20 S CA 1.717 59.916 58.200 -0.003 0.000 1.005 20 S CB -0.503 62.695 63.200 -0.003 0.000 0.867 20 S HN 0.842 nan 8.310 nan 0.000 0.449 21 A N 1.298 124.119 122.820 0.002 0.000 1.902 21 A HA 0.012 4.333 4.320 0.002 0.000 0.217 21 A C 2.152 179.744 177.584 0.014 0.000 1.181 21 A CA 1.634 53.674 52.037 0.005 0.000 0.623 21 A CB -0.878 18.122 19.000 0.002 0.000 0.818 21 A HN 0.578 nan 8.150 nan 0.000 0.443 22 L N 0.141 121.372 121.223 0.012 0.000 2.017 22 L HA -0.140 4.201 4.340 0.002 0.000 0.208 22 L C 2.235 179.135 176.870 0.051 0.000 1.073 22 L CA 2.719 57.574 54.840 0.024 0.000 0.745 22 L CB -0.705 41.352 42.059 -0.003 0.000 0.894 22 L HN 0.462 nan 8.230 nan 0.000 0.432 23 K N -0.801 119.615 120.400 0.027 0.000 2.032 23 K HA -0.210 4.111 4.320 0.002 0.000 0.209 23 K C 1.967 178.612 176.600 0.075 0.000 1.048 23 K CA 1.720 58.034 56.287 0.045 0.000 0.927 23 K CB -0.082 32.428 32.500 0.017 0.000 0.712 23 K HN 0.370 nan 8.250 nan 0.000 0.441 24 E N 1.125 121.352 120.200 0.045 0.000 2.051 24 E HA -0.189 4.162 4.350 0.002 0.000 0.192 24 E C 1.846 178.469 176.600 0.039 0.000 0.991 24 E CA 1.249 57.670 56.400 0.034 0.000 0.799 24 E CB -0.336 29.373 29.700 0.016 0.000 0.748 24 E HN 0.435 nan 8.360 nan 0.000 0.449 25 D N -0.094 120.333 120.400 0.045 0.000 2.117 25 D HA -0.157 4.484 4.640 0.002 0.000 0.197 25 D C 1.953 178.284 176.300 0.051 0.000 0.987 25 D CA 0.807 54.827 54.000 0.034 0.000 0.829 25 D CB -0.425 40.393 40.800 0.030 0.000 0.961 25 D HN 0.205 nan 8.370 nan 0.000 0.460 26 Y N 1.965 122.249 120.300 -0.026 0.000 2.181 26 Y HA -0.160 4.391 4.550 0.002 0.000 0.288 26 Y C 2.146 178.031 175.900 -0.024 0.000 1.146 26 Y CA 1.598 59.682 58.100 -0.026 0.000 1.164 26 Y CB 0.076 38.523 38.460 -0.021 0.000 0.982 26 Y HN -0.026 nan 8.280 nan 0.000 0.515 27 E N -0.332 119.932 120.200 0.107 0.000 2.106 27 E HA -0.166 4.185 4.350 0.002 0.000 0.192 27 E C 2.341 178.913 176.600 -0.047 0.000 0.984 27 E CA 0.786 57.203 56.400 0.029 0.000 0.806 27 E CB -0.272 29.465 29.700 0.062 0.000 0.750 27 E HN 0.555 nan 8.360 nan 0.000 0.458 28 A N 1.531 124.328 122.820 -0.039 0.000 1.873 28 A HA -0.158 4.163 4.320 0.002 0.000 0.215 28 A C 2.191 179.720 177.584 -0.092 0.000 1.186 28 A CA 1.010 53.015 52.037 -0.053 0.000 0.616 28 A CB -0.531 18.446 19.000 -0.038 0.000 0.823 28 A HN 0.219 nan 8.150 nan 0.000 0.442 29 L N 0.238 121.384 121.223 -0.130 0.000 2.083 29 L HA -0.001 4.340 4.340 0.002 0.000 0.209 29 L C 2.344 179.085 176.870 -0.215 0.000 1.083 29 L CA 2.246 56.983 54.840 -0.172 0.000 0.752 29 L CB -1.069 40.867 42.059 -0.205 0.000 0.899 29 L HN 0.298 nan 8.230 nan 0.000 0.433 30 G N -1.078 107.551 108.800 -0.285 0.000 2.422 30 G HA2 -0.242 3.719 3.960 0.002 0.000 0.218 30 G HA3 -0.242 3.719 3.960 0.002 0.000 0.218 30 G C 1.588 176.405 174.900 -0.139 0.000 1.146 30 G CA 0.782 45.727 45.100 -0.259 0.000 0.769 30 G HN 0.627 nan 8.290 nan 0.000 0.547 31 A N 1.130 123.887 122.820 -0.105 0.000 1.898 31 A HA -0.101 4.220 4.320 0.002 0.000 0.216 31 A C 2.213 179.757 177.584 -0.067 0.000 1.181 31 A CA 1.849 53.845 52.037 -0.068 0.000 0.620 31 A CB -0.583 18.386 19.000 -0.051 0.000 0.819 31 A HN 0.455 nan 8.150 nan 0.000 0.442 32 N N 0.420 119.073 118.700 -0.079 0.000 2.084 32 N HA -0.122 4.619 4.740 0.002 0.000 0.190 32 N C 1.776 177.243 175.510 -0.072 0.000 1.030 32 N CA 1.634 54.642 53.050 -0.071 0.000 0.849 32 N CB -0.268 38.172 38.487 -0.078 0.000 1.012 32 N HN 0.495 nan 8.380 nan 0.000 0.423 33 L N 0.831 122.000 121.223 -0.091 0.000 2.083 33 L HA -0.094 4.247 4.340 0.002 0.000 0.209 33 L C 2.781 179.613 176.870 -0.063 0.000 1.083 33 L CA 1.143 55.934 54.840 -0.082 0.000 0.752 33 L CB -0.578 41.416 42.059 -0.107 0.000 0.899 33 L HN 0.192 nan 8.230 nan 0.000 0.433 34 A N 0.195 122.977 122.820 -0.063 0.000 1.908 34 A HA -0.226 4.095 4.320 0.002 0.000 0.218 34 A C 2.369 179.932 177.584 -0.036 0.000 1.181 34 A CA 1.544 53.554 52.037 -0.046 0.000 0.627 34 A CB -0.507 18.467 19.000 -0.042 0.000 0.818 34 A HN 0.326 nan 8.150 nan 0.000 0.445 35 R N -0.888 119.589 120.500 -0.038 0.000 2.152 35 R HA -0.047 4.294 4.340 0.002 0.000 0.232 35 R C 1.702 177.987 176.300 -0.026 0.000 1.117 35 R CA 1.302 57.384 56.100 -0.030 0.000 0.981 35 R CB -0.166 30.115 30.300 -0.031 0.000 0.870 35 R HN 0.460 nan 8.270 nan 0.000 0.451 36 R N -0.556 119.925 120.500 -0.031 0.000 2.334 36 R HA 0.105 4.446 4.340 0.002 0.000 0.220 36 R C 0.738 177.025 176.300 -0.022 0.000 0.917 36 R CA 0.477 56.562 56.100 -0.025 0.000 1.073 36 R CB 0.712 30.994 30.300 -0.030 0.000 1.056 36 R HN 0.304 nan 8.270 nan 0.000 0.506 37 G N 0.635 109.421 108.800 -0.024 0.000 2.147 37 G HA2 -0.241 3.720 3.960 0.002 0.000 0.244 37 G HA3 -0.241 3.720 3.960 0.002 0.000 0.244 37 G C -0.096 174.789 174.900 -0.024 0.000 1.005 37 G CA 0.084 45.172 45.100 -0.021 0.000 0.713 37 G HN 0.155 nan 8.290 nan 0.000 0.515 38 V N 0.269 120.164 119.914 -0.033 0.000 2.495 38 V HA 0.544 4.665 4.120 0.002 0.000 0.298 38 V C -0.214 175.854 176.094 -0.044 0.000 1.031 38 V CA -0.702 61.575 62.300 -0.038 0.000 0.871 38 V CB 1.999 33.794 31.823 -0.047 0.000 0.988 38 V HN 0.322 nan 8.190 nan 0.000 0.432 39 D N 3.389 123.769 120.400 -0.034 0.000 2.411 39 D HA 0.197 4.838 4.640 0.002 0.000 0.225 39 D C 1.021 177.298 176.300 -0.038 0.000 1.156 39 D CA -0.147 53.835 54.000 -0.030 0.000 0.874 39 D CB 0.961 41.755 40.800 -0.011 0.000 1.034 39 D HN 0.533 nan 8.370 nan 0.000 0.502 40 I N 2.984 123.511 120.570 -0.071 0.000 2.236 40 I HA -0.297 3.874 4.170 0.002 0.000 0.249 40 I C 1.777 177.889 176.117 -0.009 0.000 1.102 40 I CA 1.429 62.666 61.300 -0.105 0.000 1.365 40 I CB 0.251 38.091 38.000 -0.266 0.000 1.051 40 I HN 0.432 nan 8.210 nan 0.000 0.420 41 E N 1.317 121.540 120.200 0.038 0.000 2.110 41 E HA -0.211 4.140 4.350 0.002 0.000 0.193 41 E C 1.966 178.601 176.600 0.058 0.000 0.988 41 E CA 1.731 58.184 56.400 0.088 0.000 0.804 41 E CB -0.304 29.442 29.700 0.076 0.000 0.745 41 E HN 0.562 nan 8.360 nan 0.000 0.458 42 A N -0.055 122.783 122.820 0.029 0.000 1.969 42 A HA -0.077 4.244 4.320 0.002 0.000 0.218 42 A C 2.415 180.009 177.584 0.017 0.000 1.169 42 A CA 1.443 53.493 52.037 0.023 0.000 0.635 42 A CB -0.477 18.529 19.000 0.010 0.000 0.810 42 A HN 0.199 nan 8.150 nan 0.000 0.445 43 V N -0.549 119.365 119.914 -0.001 0.000 2.323 43 V HA -0.183 3.938 4.120 0.002 0.000 0.244 43 V C 2.683 178.786 176.094 0.015 0.000 1.041 43 V CA 2.365 64.650 62.300 -0.025 0.000 1.025 43 V CB -1.345 30.443 31.823 -0.059 0.000 0.656 43 V HN 0.556 nan 8.190 nan 0.000 0.451 44 T N 0.702 115.290 114.554 0.056 0.000 2.759 44 T HA -0.165 4.186 4.350 0.002 0.000 0.269 44 T C 2.062 176.805 174.700 0.073 0.000 1.042 44 T CA 1.603 63.757 62.100 0.090 0.000 1.140 44 T CB -0.431 68.534 68.868 0.162 0.000 0.864 44 T HN 0.558 nan 8.240 nan 0.000 0.455 45 A N 1.665 124.525 122.820 0.067 0.000 1.933 45 A HA -0.116 4.205 4.320 0.002 0.000 0.218 45 A C 2.285 179.913 177.584 0.073 0.000 1.175 45 A CA 1.451 53.526 52.037 0.063 0.000 0.628 45 A CB -0.348 18.687 19.000 0.057 0.000 0.814 45 A HN 0.444 nan 8.150 nan 0.000 0.444 46 K N -0.586 119.868 120.400 0.090 0.000 2.076 46 K HA 0.012 4.333 4.320 0.002 0.000 0.204 46 K C 1.867 178.603 176.600 0.226 0.000 1.051 46 K CA 1.134 57.515 56.287 0.157 0.000 0.949 46 K CB -0.280 32.320 32.500 0.167 0.000 0.726 46 K HN 0.284 nan 8.250 nan 0.000 0.443 47 V N 2.085 122.110 119.914 0.185 0.000 2.332 47 V HA -0.246 3.875 4.120 0.002 0.000 0.248 47 V C 1.890 178.028 176.094 0.073 0.000 1.055 47 V CA 1.788 64.197 62.300 0.181 0.000 1.038 47 V CB -0.449 31.423 31.823 0.082 0.000 0.651 47 V HN 0.338 nan 8.190 nan 0.000 0.450 48 E N -0.123 120.105 120.200 0.046 0.000 2.209 48 E HA -0.221 4.130 4.350 0.002 0.000 0.196 48 E C 1.808 178.360 176.600 -0.079 0.000 0.993 48 E CA 1.040 57.455 56.400 0.025 0.000 0.819 48 E CB -0.078 29.652 29.700 0.051 0.000 0.745 48 E HN 0.587 nan 8.360 nan 0.000 0.477 49 K N -0.128 120.169 120.400 -0.172 0.000 2.387 49 K HA 0.082 4.403 4.320 0.002 0.000 0.198 49 K C -0.227 175.771 176.600 -1.004 0.000 1.022 49 K CA -0.316 55.681 56.287 -0.483 0.000 1.128 49 K CB 0.313 32.727 32.500 -0.143 0.000 0.853 49 K HN -0.019 nan 8.250 nan 0.000 0.523 50 F N 1.578 121.015 119.950 -0.855 0.000 2.404 50 F HA 0.327 4.855 4.527 0.002 0.000 0.358 50 F C -0.764 174.587 175.800 -0.748 0.000 1.120 50 F CA -1.146 56.382 58.000 -0.787 0.000 1.144 50 F CB 0.346 38.910 39.000 -0.726 0.000 1.133 50 F HN -0.216 nan 8.300 nan 0.000 0.495 51 F N 5.335 124.916 119.950 -0.616 0.000 2.522 51 F HA 0.680 5.208 4.527 0.002 0.000 0.324 51 F C -0.533 175.038 175.800 -0.381 0.000 1.077 51 F CA -1.439 56.357 58.000 -0.340 0.000 0.944 51 F CB 1.600 40.476 39.000 -0.207 0.000 1.175 51 F HN 0.236 nan 8.300 nan 0.000 0.468 52 V N 2.051 122.023 119.914 0.096 0.000 2.686 52 V HA 0.849 4.970 4.120 0.002 0.000 0.306 52 V C -0.680 175.477 176.094 0.106 0.000 1.065 52 V CA -0.810 61.580 62.300 0.150 0.000 0.894 52 V CB 1.475 33.446 31.823 0.247 0.000 1.004 52 V HN 1.048 nan 8.190 nan 0.000 0.424 53 A N 5.844 128.720 122.820 0.095 0.000 2.440 53 A HA 0.629 4.950 4.320 0.002 0.000 0.251 53 A C -0.226 177.341 177.584 -0.028 0.000 1.089 53 A CA -0.076 51.971 52.037 0.017 0.000 0.779 53 A CB 0.649 19.663 19.000 0.023 0.000 1.022 53 A HN 1.078 nan 8.150 nan 0.000 0.492 54 V N 5.355 125.214 119.914 -0.092 0.000 2.481 54 V HA 0.390 4.511 4.120 0.002 0.000 0.286 54 V C -1.912 174.008 176.094 -0.290 0.000 1.042 54 V CA -1.390 60.812 62.300 -0.163 0.000 0.928 54 V CB 1.694 33.431 31.823 -0.144 0.000 0.986 54 V HN 0.878 nan 8.190 nan 0.000 0.462 55 P HA 0.162 nan 4.420 nan 0.000 0.285 55 P C 0.592 177.468 177.300 -0.708 0.000 1.259 55 P CA -0.220 62.247 63.100 -1.055 0.000 0.794 55 P CB 1.473 32.042 31.700 -1.884 0.000 0.940 56 S N 2.439 117.890 115.700 -0.415 0.000 2.402 56 S HA -0.153 4.319 4.470 0.002 0.000 0.229 56 S C 1.481 176.105 174.600 0.040 0.000 1.021 56 S CA 0.504 58.678 58.200 -0.044 0.000 0.974 56 S CB -1.354 61.961 63.200 0.190 0.000 0.800 56 S HN 0.696 nan 8.310 nan 0.000 0.484 57 W N 1.822 123.205 121.300 0.138 0.000 3.077 57 W HA 0.567 5.228 4.660 0.002 0.000 0.245 57 W C 1.623 178.095 176.519 -0.080 0.000 1.316 57 W CA -0.279 57.108 57.345 0.070 0.000 1.537 57 W CB -0.696 28.893 29.460 0.215 0.000 1.131 57 W HN 0.208 nan 8.180 nan 0.000 0.695 58 G N 1.209 109.790 108.800 -0.366 0.000 2.662 58 G HA2 -0.066 3.895 3.960 0.002 0.000 0.212 58 G HA3 -0.066 3.895 3.960 0.002 0.000 0.212 58 G C 1.234 176.167 174.900 0.055 0.000 1.141 58 G CA 0.883 45.861 45.100 -0.204 0.000 0.797 58 G HN 0.410 nan 8.290 nan 0.000 0.531 59 V N -1.289 118.621 119.914 -0.006 0.000 3.461 59 V HA 0.417 4.538 4.120 0.002 0.000 0.267 59 V C 1.135 177.278 176.094 0.081 0.000 1.186 59 V CA 0.280 62.593 62.300 0.021 0.000 1.154 59 V CB -0.552 31.275 31.823 0.007 0.000 0.802 59 V HN 0.210 nan 8.190 nan 0.000 0.474 60 G N -0.032 108.835 108.800 0.112 0.000 2.400 60 G HA2 0.498 4.459 3.960 0.002 0.000 0.333 60 G HA3 0.498 4.459 3.960 0.002 0.000 0.333 60 G C -0.307 174.695 174.900 0.170 0.000 1.143 60 G CA -0.407 44.766 45.100 0.122 0.000 0.914 60 G HN 0.171 nan 8.290 nan 0.000 0.480 61 T N 1.093 115.742 114.554 0.158 0.000 2.902 61 T HA 0.401 4.752 4.350 0.002 0.000 0.301 61 T C 1.098 175.917 174.700 0.197 0.000 1.012 61 T CA 0.682 62.895 62.100 0.189 0.000 1.151 61 T CB 1.010 69.975 68.868 0.161 0.000 0.946 61 T HN 0.709 nan 8.240 nan 0.000 0.542 62 G N 1.084 110.038 108.800 0.257 0.000 2.537 62 G HA2 0.727 4.688 3.960 0.002 0.000 0.297 62 G HA3 0.727 4.688 3.960 0.002 0.000 0.297 62 G C -0.016 174.946 174.900 0.103 0.000 1.310 62 G CA -0.337 44.916 45.100 0.254 0.000 1.027 62 G HN 0.989 nan 8.290 nan 0.000 0.505 63 G N -2.101 106.686 108.800 -0.022 0.000 2.687 63 G HA2 0.690 4.652 3.960 0.002 0.000 0.291 63 G HA3 0.690 4.652 3.960 0.002 0.000 0.291 63 G C -0.482 174.367 174.900 -0.085 0.000 1.420 63 G CA 0.363 45.439 45.100 -0.039 0.000 0.796 63 G HN 1.114 nan 8.290 nan 0.000 0.485 64 T N -2.951 111.584 114.554 -0.032 0.000 2.905 64 T HA 0.454 4.805 4.350 0.002 0.000 0.283 64 T C 1.432 176.090 174.700 -0.071 0.000 1.031 64 T CA -0.228 61.862 62.100 -0.016 0.000 1.002 64 T CB 1.714 70.658 68.868 0.126 0.000 1.200 64 T HN 0.803 nan 8.240 nan 0.000 0.560 65 R N -0.628 119.790 120.500 -0.137 0.000 2.285 65 R HA 0.094 4.435 4.340 0.002 0.000 0.213 65 R C 1.086 177.178 176.300 -0.347 0.000 1.068 65 R CA 1.129 57.067 56.100 -0.269 0.000 1.004 65 R CB -0.686 29.395 30.300 -0.367 0.000 0.873 65 R HN 0.503 nan 8.270 nan 0.000 0.467 66 F N 0.809 120.745 119.950 -0.023 0.000 2.446 66 F HA 0.398 4.926 4.527 0.001 0.000 0.292 66 F C 1.096 176.853 175.800 -0.071 0.000 1.096 66 F CA 0.551 58.538 58.000 -0.022 0.000 1.438 66 F CB 0.420 39.428 39.000 0.013 0.000 1.107 66 F HN 0.218 nan 8.300 nan 0.000 0.546 67 A N -0.421 122.417 122.820 0.029 0.000 2.567 67 A HA 0.662 4.983 4.320 0.002 0.000 0.291 67 A C -1.221 176.138 177.584 -0.375 0.000 1.048 67 A CA -0.840 51.049 52.037 -0.246 0.000 0.661 67 A CB 1.088 19.837 19.000 -0.417 0.000 1.288 67 A HN 0.039 nan 8.150 nan 0.000 0.424 68 R N 0.265 120.421 120.500 -0.574 0.000 2.538 68 R HA 0.671 5.012 4.340 0.002 0.000 0.292 68 R C -2.143 173.826 176.300 -0.552 0.000 1.008 68 R CA -0.462 55.404 56.100 -0.389 0.000 0.896 68 R CB 0.875 31.063 30.300 -0.186 0.000 1.187 68 R HN 0.569 nan 8.270 nan 0.000 0.440 69 F N 5.746 125.727 119.950 0.052 0.000 2.366 69 F HA 0.343 4.871 4.527 0.001 0.000 0.357 69 F C -1.722 174.113 175.800 0.057 0.000 1.107 69 F CA -2.162 55.870 58.000 0.052 0.000 1.208 69 F CB 1.130 40.162 39.000 0.054 0.000 1.464 69 F HN 0.274 nan 8.300 nan 0.000 0.501 70 P HA 0.183 nan 4.420 nan 0.000 0.268 70 P C 0.358 177.737 177.300 0.131 0.000 1.205 70 P CA 0.151 63.325 63.100 0.123 0.000 0.771 70 P CB 1.553 33.298 31.700 0.075 0.000 0.858 71 G N 1.695 110.566 108.800 0.119 0.000 2.543 71 G HA2 0.502 4.463 3.960 0.002 0.000 0.267 71 G HA3 0.502 4.463 3.960 0.002 0.000 0.267 71 G C -0.207 174.743 174.900 0.083 0.000 1.406 71 G CA -0.363 44.800 45.100 0.104 0.000 1.048 71 G HN 0.648 nan 8.290 nan 0.000 0.548 72 T N -3.505 111.092 114.554 0.072 0.000 2.882 72 T HA 0.444 4.795 4.350 0.002 0.000 0.287 72 T C 1.234 175.966 174.700 0.054 0.000 1.014 72 T CA 0.752 62.884 62.100 0.054 0.000 1.049 72 T CB 1.011 69.903 68.868 0.040 0.000 1.001 72 T HN 2.166 nan 8.240 nan 0.000 0.525 73 G N 1.333 110.155 108.800 0.036 0.000 2.323 73 G HA2 -0.197 3.764 3.960 0.002 0.000 0.292 73 G HA3 -0.197 3.764 3.960 0.002 0.000 0.292 73 G C -0.054 174.878 174.900 0.053 0.000 1.040 73 G CA -0.101 45.015 45.100 0.028 0.000 0.942 73 G HN 0.885 nan 8.290 nan 0.000 0.506 74 E N 0.922 121.158 120.200 0.059 0.000 2.376 74 E HA 0.178 4.529 4.350 0.002 0.000 0.266 74 E C -1.606 175.035 176.600 0.069 0.000 1.009 74 E CA -1.438 55.005 56.400 0.070 0.000 0.902 74 E CB 0.771 30.509 29.700 0.064 0.000 0.972 74 E HN 0.361 nan 8.360 nan 0.000 0.439 75 P HA 0.071 nan 4.420 nan 0.000 0.268 75 P C 0.241 177.588 177.300 0.079 0.000 1.204 75 P CA 0.091 63.243 63.100 0.088 0.000 0.768 75 P CB 0.896 32.657 31.700 0.101 0.000 0.842 76 R N 1.885 122.436 120.500 0.085 0.000 2.062 76 R HA 0.147 4.488 4.340 0.002 0.000 0.226 76 R C 1.455 177.809 176.300 0.090 0.000 1.125 76 R CA 1.568 57.716 56.100 0.081 0.000 0.966 76 R CB -0.205 30.147 30.300 0.086 0.000 0.861 76 R HN 0.657 nan 8.270 nan 0.000 0.433 77 G N -0.980 107.887 108.800 0.112 0.000 2.911 77 G HA2 0.212 4.173 3.960 0.002 0.000 0.299 77 G HA3 0.212 4.173 3.960 0.002 0.000 0.299 77 G C -0.087 174.858 174.900 0.076 0.000 1.283 77 G CA -0.647 44.515 45.100 0.102 0.000 0.805 77 G HN 0.023 nan 8.290 nan 0.000 0.548 78 I N -0.464 120.098 120.570 -0.014 0.000 2.264 78 I HA -0.036 4.135 4.170 0.002 0.000 0.248 78 I C 2.207 178.243 176.117 -0.134 0.000 1.111 78 I CA 1.494 62.729 61.300 -0.109 0.000 1.382 78 I CB -0.436 37.400 38.000 -0.274 0.000 1.060 78 I HN 0.365 nan 8.210 nan 0.000 0.418 79 F N 0.644 120.662 119.950 0.114 0.000 2.186 79 F HA -0.140 4.388 4.527 0.002 0.000 0.299 79 F C 2.359 178.217 175.800 0.096 0.000 1.090 79 F CA 1.453 59.515 58.000 0.102 0.000 1.307 79 F CB -1.007 38.044 39.000 0.084 0.000 1.019 79 F HN 0.103 nan 8.300 nan 0.000 0.489 80 D N 0.288 120.836 120.400 0.247 0.000 2.117 80 D HA -0.118 4.523 4.640 0.002 0.000 0.198 80 D C 2.138 178.530 176.300 0.155 0.000 0.982 80 D CA 1.125 55.233 54.000 0.181 0.000 0.828 80 D CB -0.252 40.634 40.800 0.143 0.000 0.967 80 D HN 0.206 nan 8.370 nan 0.000 0.464 81 K N 0.214 120.690 120.400 0.127 0.000 2.063 81 K HA -0.076 4.245 4.320 0.002 0.000 0.208 81 K C 2.288 178.941 176.600 0.089 0.000 1.048 81 K CA 0.594 56.941 56.287 0.101 0.000 0.928 81 K CB -0.125 32.430 32.500 0.092 0.000 0.713 81 K HN 0.162 nan 8.250 nan 0.000 0.442 82 L N 1.091 122.377 121.223 0.105 0.000 2.046 82 L HA -0.221 4.120 4.340 0.002 0.000 0.208 82 L C 1.884 178.805 176.870 0.084 0.000 1.077 82 L CA 1.105 56.001 54.840 0.094 0.000 0.747 82 L CB -0.461 41.685 42.059 0.146 0.000 0.896 82 L HN 0.193 nan 8.230 nan 0.000 0.432 83 D N 0.073 120.553 120.400 0.133 0.000 2.123 83 D HA -0.186 4.455 4.640 0.002 0.000 0.196 83 D C 1.753 178.136 176.300 0.138 0.000 0.992 83 D CA 1.262 55.349 54.000 0.144 0.000 0.833 83 D CB -0.189 40.727 40.800 0.193 0.000 0.954 83 D HN 0.310 nan 8.370 nan 0.000 0.455 84 D N -0.410 120.080 120.400 0.149 0.000 2.183 84 D HA -0.065 4.576 4.640 0.002 0.000 0.203 84 D C 2.105 178.389 176.300 -0.026 0.000 0.969 84 D CA 0.363 54.430 54.000 0.113 0.000 0.842 84 D CB -0.440 40.452 40.800 0.154 0.000 0.957 84 D HN 0.220 nan 8.370 nan 0.000 0.484 85 C N 1.025 120.310 119.300 -0.026 0.000 2.435 85 C HA 0.044 4.505 4.460 0.002 0.000 0.279 85 C C 2.839 177.767 174.990 -0.103 0.000 1.321 85 C CA 0.531 59.502 59.018 -0.078 0.000 1.752 85 C CB -0.924 26.773 27.740 -0.072 0.000 1.959 85 C HN 0.347 nan 8.230 nan 0.000 0.500 86 A N 0.300 123.070 122.820 -0.084 0.000 1.972 86 A HA -0.092 4.229 4.320 0.002 0.000 0.219 86 A C 2.257 179.761 177.584 -0.133 0.000 1.169 86 A CA 1.947 53.919 52.037 -0.108 0.000 0.635 86 A CB -0.587 18.368 19.000 -0.075 0.000 0.810 86 A HN 0.376 nan 8.150 nan 0.000 0.446 87 V N 0.197 120.010 119.914 -0.167 0.000 2.358 87 V HA -0.260 3.861 4.120 0.002 0.000 0.246 87 V C 2.402 178.392 176.094 -0.173 0.000 1.047 87 V CA 2.023 64.188 62.300 -0.226 0.000 1.035 87 V CB -0.650 30.910 31.823 -0.438 0.000 0.658 87 V HN 0.590 nan 8.190 nan 0.000 0.452 88 I N 0.000 120.465 120.570 -0.176 0.000 2.226 88 I HA -0.278 3.893 4.170 0.002 0.000 0.245 88 I C 2.621 178.671 176.117 -0.111 0.000 1.100 88 I CA 1.738 62.944 61.300 -0.157 0.000 1.374 88 I CB -0.388 37.518 38.000 -0.157 0.000 1.057 88 I HN 0.354 nan 8.210 nan 0.000 0.413 89 Q N 1.107 120.839 119.800 -0.113 0.000 2.119 89 Q HA -0.240 4.101 4.340 0.002 0.000 0.201 89 Q C 2.131 178.081 176.000 -0.084 0.000 0.972 89 Q CA 1.669 57.411 55.803 -0.101 0.000 0.847 89 Q CB -0.341 28.314 28.738 -0.137 0.000 0.903 89 Q HN 0.472 nan 8.270 nan 0.000 0.433 90 Q N -0.662 119.083 119.800 -0.091 0.000 2.119 90 Q HA -0.085 4.256 4.340 0.002 0.000 0.201 90 Q C 1.855 177.846 176.000 -0.016 0.000 0.972 90 Q CA 1.328 57.096 55.803 -0.057 0.000 0.847 90 Q CB 0.059 28.766 28.738 -0.051 0.000 0.903 90 Q HN 0.504 nan 8.270 nan 0.000 0.433 91 L N -0.529 120.677 121.223 -0.029 0.000 2.249 91 L HA -0.030 4.311 4.340 0.002 0.000 0.207 91 L C 2.494 179.358 176.870 -0.011 0.000 1.090 91 L CA 1.445 56.279 54.840 -0.011 0.000 0.802 91 L CB -0.250 41.800 42.059 -0.016 0.000 0.947 91 L HN 0.324 nan 8.230 nan 0.000 0.453 92 T N -4.872 109.669 114.554 -0.022 0.000 3.040 92 T HA 0.053 4.404 4.350 0.002 0.000 0.252 92 T C 1.156 175.873 174.700 0.028 0.000 1.064 92 T CA -0.331 61.766 62.100 -0.005 0.000 1.110 92 T CB 0.221 69.078 68.868 -0.018 0.000 0.921 92 T HN 0.102 nan 8.240 nan 0.000 0.480 93 R N 0.379 120.893 120.500 0.023 0.000 3.863 93 R HA -0.161 4.180 4.340 0.002 0.000 0.313 93 R C 0.887 177.284 176.300 0.162 0.000 1.202 93 R CA 0.883 57.018 56.100 0.058 0.000 0.852 93 R CB -2.408 27.937 30.300 0.075 0.000 1.292 93 R HN 0.715 nan 8.270 nan 0.000 0.519 94 A N -0.342 122.562 122.820 0.140 0.000 2.469 94 A HA 0.151 4.472 4.320 0.002 0.000 0.245 94 A C 0.895 178.604 177.584 0.209 0.000 1.221 94 A CA 0.855 53.045 52.037 0.256 0.000 0.946 94 A CB 0.502 19.596 19.000 0.155 0.000 1.049 94 A HN 0.296 nan 8.150 nan 0.000 0.529 95 T N -2.373 112.212 114.554 0.051 0.000 3.514 95 T HA 0.355 4.706 4.350 0.002 0.000 0.259 95 T C -1.902 172.718 174.700 -0.132 0.000 1.466 95 T CA -1.077 61.008 62.100 -0.026 0.000 1.562 95 T CB 1.014 69.855 68.868 -0.045 0.000 0.924 95 T HN 0.099 nan 8.240 nan 0.000 0.678 96 P HA 0.041 nan 4.420 nan 0.000 0.229 96 P C -0.255 176.872 177.300 -0.288 0.000 1.160 96 P CA 0.382 63.287 63.100 -0.324 0.000 0.777 96 P CB 0.263 31.634 31.700 -0.548 0.000 0.814 97 N N -0.219 118.345 118.700 -0.226 0.000 2.314 97 N HA 0.317 5.058 4.740 0.002 0.000 0.304 97 N C -0.887 174.534 175.510 -0.149 0.000 1.073 97 N CA -0.597 52.330 53.050 -0.206 0.000 0.822 97 N CB 2.780 41.180 38.487 -0.145 0.000 1.280 97 N HN -0.245 nan 8.380 nan 0.000 0.489 98 V N 0.565 120.389 119.914 -0.149 0.000 2.513 98 V HA 0.345 4.466 4.120 0.002 0.000 0.299 98 V C 0.325 176.471 176.094 0.088 0.000 1.035 98 V CA -0.689 61.581 62.300 -0.050 0.000 0.889 98 V CB 1.773 33.577 31.823 -0.031 0.000 0.988 98 V HN 0.620 nan 8.190 nan 0.000 0.440 99 S N 4.813 120.534 115.700 0.035 0.000 2.457 99 S HA 0.673 5.144 4.470 0.002 0.000 0.289 99 S C -0.508 174.226 174.600 0.224 0.000 1.163 99 S CA -0.519 57.755 58.200 0.123 0.000 1.078 99 S CB 0.123 63.371 63.200 0.080 0.000 0.987 99 S HN 0.520 nan 8.310 nan 0.000 0.482 100 L N 4.497 125.885 121.223 0.275 0.000 2.360 100 L HA 0.524 4.865 4.340 0.002 0.000 0.271 100 L C 0.131 177.223 176.870 0.371 0.000 1.057 100 L CA -0.875 54.149 54.840 0.306 0.000 0.803 100 L CB 0.959 43.101 42.059 0.138 0.000 1.207 100 L HN 0.603 nan 8.230 nan 0.000 0.445 101 H N 3.222 122.503 119.070 0.351 0.000 2.658 101 H HA 0.445 5.002 4.556 0.002 0.000 0.337 101 H C -1.045 174.302 175.328 0.031 0.000 1.009 101 H CA -0.571 55.575 56.048 0.163 0.000 1.231 101 H CB 1.652 31.491 29.762 0.128 0.000 1.508 101 H HN 0.230 nan 8.280 nan 0.000 0.517 102 I N 7.029 127.655 120.570 0.094 0.000 2.392 102 I HA 0.193 4.364 4.170 0.002 0.000 0.295 102 I C -1.648 174.512 176.117 0.072 0.000 0.985 102 I CA -2.679 58.675 61.300 0.091 0.000 1.221 102 I CB 1.727 39.744 38.000 0.029 0.000 1.366 102 I HN 0.465 nan 8.210 nan 0.000 0.467 103 P HA -0.001 nan 4.420 nan 0.000 0.257 103 P C 1.011 178.438 177.300 0.212 0.000 1.281 103 P CA 0.269 63.437 63.100 0.112 0.000 0.826 103 P CB 0.194 31.957 31.700 0.105 0.000 1.237 104 W N 1.770 123.148 121.300 0.130 0.000 2.325 104 W HA -0.094 4.567 4.660 0.002 0.000 0.299 104 W C 0.876 177.457 176.519 0.104 0.000 1.215 104 W CA 1.028 58.440 57.345 0.111 0.000 1.244 104 W CB -1.514 28.026 29.460 0.132 0.000 1.140 104 W HN 0.132 nan 8.180 nan 0.000 0.523 105 D N -0.550 120.049 120.400 0.332 0.000 2.424 105 D HA 0.028 4.669 4.640 0.002 0.000 0.220 105 D C 0.390 176.724 176.300 0.056 0.000 1.150 105 D CA 0.000 54.101 54.000 0.168 0.000 0.831 105 D CB -0.090 40.814 40.800 0.173 0.000 0.981 105 D HN 0.060 nan 8.370 nan 0.000 0.500 106 K N 1.263 121.714 120.400 0.084 0.000 2.489 106 K HA 0.297 4.618 4.320 0.002 0.000 0.278 106 K C -0.354 176.259 176.600 0.021 0.000 1.000 106 K CA 0.132 56.444 56.287 0.042 0.000 1.012 106 K CB 0.405 32.945 32.500 0.066 0.000 0.903 106 K HN 0.090 nan 8.250 nan 0.000 0.485 107 A N 3.387 126.210 122.820 0.006 0.000 2.490 107 A HA 0.145 4.466 4.320 0.002 0.000 0.292 107 A C -1.705 175.913 177.584 0.057 0.000 1.047 107 A CA -0.877 51.188 52.037 0.046 0.000 0.632 107 A CB 0.470 19.469 19.000 -0.002 0.000 1.323 107 A HN 0.792 nan 8.150 nan 0.000 0.448 108 D N 0.655 121.127 120.400 0.121 0.000 2.472 108 D HA 0.323 4.964 4.640 0.002 0.000 0.248 108 D C -1.497 174.850 176.300 0.078 0.000 1.174 108 D CA -0.663 53.394 54.000 0.095 0.000 0.883 108 D CB 0.885 41.753 40.800 0.113 0.000 1.149 108 D HN 0.112 nan 8.370 nan 0.000 0.488 109 P HA -0.171 nan 4.420 nan 0.000 0.218 109 P C 0.753 178.070 177.300 0.030 0.000 1.148 109 P CA 1.414 64.507 63.100 -0.012 0.000 0.822 109 P CB 0.188 31.873 31.700 -0.024 0.000 0.784 110 K N -0.297 120.136 120.400 0.055 0.000 2.097 110 K HA -0.116 4.205 4.320 0.002 0.000 0.205 110 K C 1.988 178.653 176.600 0.108 0.000 1.050 110 K CA 1.186 57.514 56.287 0.069 0.000 0.938 110 K CB -0.263 32.268 32.500 0.052 0.000 0.718 110 K HN 0.296 nan 8.250 nan 0.000 0.442 111 E N 0.990 121.279 120.200 0.149 0.000 2.072 111 E HA -0.105 4.246 4.350 0.002 0.000 0.190 111 E C 2.130 178.951 176.600 0.369 0.000 0.982 111 E CA 0.663 57.195 56.400 0.220 0.000 0.803 111 E CB -0.049 29.810 29.700 0.266 0.000 0.755 111 E HN 0.195 nan 8.360 nan 0.000 0.453 112 L N 1.006 122.416 121.223 0.312 0.000 1.976 112 L HA -0.218 4.123 4.340 0.002 0.000 0.209 112 L C 2.592 179.664 176.870 0.337 0.000 1.071 112 L CA 1.197 56.183 54.840 0.244 0.000 0.746 112 L CB -0.409 41.589 42.059 -0.103 0.000 0.890 112 L HN 0.027 nan 8.230 nan 0.000 0.432 113 K N 0.493 121.028 120.400 0.226 0.000 2.103 113 K HA -0.152 4.170 4.320 0.002 0.000 0.207 113 K C 1.953 178.693 176.600 0.234 0.000 1.048 113 K CA 1.601 58.070 56.287 0.304 0.000 0.930 113 K CB -0.365 32.237 32.500 0.170 0.000 0.716 113 K HN 0.280 nan 8.250 nan 0.000 0.444 114 A N 0.366 123.296 122.820 0.184 0.000 1.898 114 A HA -0.120 4.202 4.320 0.002 0.000 0.216 114 A C 2.197 179.863 177.584 0.136 0.000 1.181 114 A CA 1.753 53.867 52.037 0.129 0.000 0.620 114 A CB -0.543 18.515 19.000 0.096 0.000 0.819 114 A HN 0.287 nan 8.150 nan 0.000 0.442 115 R N 0.010 120.636 120.500 0.211 0.000 2.075 115 R HA -0.018 4.323 4.340 0.002 0.000 0.232 115 R C 2.178 178.565 176.300 0.145 0.000 1.126 115 R CA 1.789 58.011 56.100 0.204 0.000 0.963 115 R CB -1.364 29.160 30.300 0.374 0.000 0.858 115 R HN 0.395 nan 8.270 nan 0.000 0.435 116 G N 0.439 109.348 108.800 0.182 0.000 2.446 116 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 116 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 116 G C 1.005 175.867 174.900 -0.063 0.000 1.168 116 G CA 1.109 46.197 45.100 -0.021 0.000 0.771 116 G HN 0.346 nan 8.290 nan 0.000 0.551 117 D N 1.111 121.515 120.400 0.006 0.000 2.123 117 D HA -0.075 4.566 4.640 0.002 0.000 0.196 117 D C 2.811 179.090 176.300 -0.034 0.000 0.992 117 D CA 1.349 55.337 54.000 -0.020 0.000 0.833 117 D CB -0.524 40.287 40.800 0.017 0.000 0.954 117 D HN 0.327 nan 8.370 nan 0.000 0.455 118 A N 0.402 123.217 122.820 -0.008 0.000 2.015 118 A HA -0.064 4.257 4.320 0.002 0.000 0.219 118 A C 2.282 179.833 177.584 -0.056 0.000 1.163 118 A CA 0.776 52.803 52.037 -0.018 0.000 0.646 118 A CB -0.505 18.501 19.000 0.010 0.000 0.806 118 A HN 0.216 nan 8.150 nan 0.000 0.448 119 L N -1.654 119.532 121.223 -0.063 0.000 2.529 119 L HA 0.221 4.562 4.340 0.002 0.000 0.223 119 L C 1.527 178.298 176.870 -0.165 0.000 1.113 119 L CA 0.519 55.297 54.840 -0.104 0.000 0.861 119 L CB -0.096 41.924 42.059 -0.065 0.000 1.012 119 L HN 0.553 nan 8.230 nan 0.000 0.461 120 G N 1.128 109.833 108.800 -0.160 0.000 2.171 120 G HA2 -0.244 3.717 3.960 0.002 0.000 0.238 120 G HA3 -0.244 3.717 3.960 0.002 0.000 0.238 120 G C -0.209 174.559 174.900 -0.220 0.000 1.039 120 G CA -0.192 44.797 45.100 -0.186 0.000 0.759 120 G HN 0.200 nan 8.290 nan 0.000 0.501 121 L N -0.117 120.957 121.223 -0.248 0.000 2.346 121 L HA 0.797 5.139 4.340 0.002 0.000 0.276 121 L C 1.000 177.575 176.870 -0.492 0.000 1.006 121 L CA -0.529 54.105 54.840 -0.344 0.000 0.817 121 L CB 1.989 43.842 42.059 -0.343 0.000 1.272 121 L HN 0.236 nan 8.230 nan 0.000 0.421 122 G N 0.859 109.363 108.800 -0.493 0.000 2.705 122 G HA2 0.715 4.676 3.960 0.002 0.000 0.299 122 G HA3 0.715 4.676 3.960 0.002 0.000 0.299 122 G C -1.451 173.027 174.900 -0.704 0.000 1.315 122 G CA -0.374 44.425 45.100 -0.501 0.000 1.045 122 G HN 0.264 nan 8.290 nan 0.000 0.517 123 F N -0.673 119.240 119.950 -0.060 0.000 2.518 123 F HA 0.395 4.923 4.527 0.002 0.000 0.323 123 F C 0.269 176.029 175.800 -0.068 0.000 1.129 123 F CA -0.706 57.264 58.000 -0.049 0.000 0.920 123 F CB 2.333 41.319 39.000 -0.024 0.000 1.160 123 F HN 0.523 nan 8.300 nan 0.000 0.440 124 D N 1.106 121.573 120.400 0.112 0.000 2.399 124 D HA 0.626 5.267 4.640 0.002 0.000 0.288 124 D C -0.186 176.131 176.300 0.028 0.000 1.197 124 D CA -0.189 53.834 54.000 0.038 0.000 1.081 124 D CB 0.649 41.474 40.800 0.042 0.000 1.139 124 D HN 0.644 nan 8.370 nan 0.000 0.554 125 A N 0.318 123.158 122.820 0.033 0.000 2.498 125 A HA 0.258 4.579 4.320 0.002 0.000 0.239 125 A C 0.006 177.631 177.584 0.069 0.000 1.068 125 A CA -0.036 52.006 52.037 0.009 0.000 0.766 125 A CB 0.001 19.088 19.000 0.145 0.000 1.003 125 A HN 0.443 nan 8.150 nan 0.000 0.497 126 M N 2.052 121.670 119.600 0.030 0.000 2.241 126 M HA 0.213 4.694 4.480 0.002 0.000 0.335 126 M C -0.012 176.316 176.300 0.047 0.000 1.122 126 M CA 0.183 55.521 55.300 0.063 0.000 1.164 126 M CB 0.181 32.837 32.600 0.094 0.000 1.459 126 M HN 0.662 nan 8.290 nan 0.000 0.461 127 N N 0.942 119.611 118.700 -0.051 0.000 2.399 127 N HA 0.310 5.051 4.740 0.002 0.000 0.284 127 N C -0.971 174.322 175.510 -0.361 0.000 1.025 127 N CA -0.240 52.662 53.050 -0.247 0.000 0.885 127 N CB 1.872 40.026 38.487 -0.554 0.000 1.339 127 N HN 0.622 nan 8.380 nan 0.000 0.487 128 S N 1.487 117.093 115.700 -0.157 0.000 2.632 128 S HA 0.345 4.816 4.470 0.002 0.000 0.271 128 S C -0.049 174.592 174.600 0.070 0.000 1.260 128 S CA -0.757 57.452 58.200 0.015 0.000 1.010 128 S CB 1.664 64.894 63.200 0.050 0.000 0.965 128 S HN 0.536 nan 8.310 nan 0.000 0.534 129 N N 1.007 119.771 118.700 0.107 0.000 2.623 129 N HA 0.251 4.992 4.740 0.002 0.000 0.256 129 N C -0.564 174.534 175.510 -0.686 0.000 1.045 129 N CA -0.398 52.358 53.050 -0.490 0.000 0.863 129 N CB 1.300 39.350 38.487 -0.729 0.000 1.182 129 N HN 0.860 nan 8.380 nan 0.000 0.523 130 T N 0.158 114.359 114.554 -0.589 0.000 3.380 130 T HA 0.226 4.577 4.350 0.002 0.000 0.289 130 T C 0.361 174.737 174.700 -0.539 0.000 1.012 130 T CA -0.508 61.126 62.100 -0.778 0.000 0.944 130 T CB -1.222 67.071 68.868 -0.958 0.000 1.172 130 T HN 0.268 nan 8.240 nan 0.000 0.502 131 F N 0.361 120.192 119.950 -0.198 0.000 2.683 131 F HA 0.664 5.192 4.527 0.002 0.000 0.306 131 F C 0.132 175.953 175.800 0.035 0.000 1.102 131 F CA -1.090 56.833 58.000 -0.128 0.000 1.244 131 F CB -0.208 38.673 39.000 -0.199 0.000 1.029 131 F HN 0.307 nan 8.300 nan 0.000 0.545 132 S N -1.300 114.395 115.700 -0.008 0.000 2.570 132 S HA 0.538 5.009 4.470 0.002 0.000 0.270 132 S C -1.743 172.893 174.600 0.059 0.000 1.149 132 S CA -0.895 57.347 58.200 0.070 0.000 0.837 132 S CB 2.216 65.447 63.200 0.052 0.000 1.124 132 S HN 0.001 nan 8.310 nan 0.000 0.465 133 D N 1.006 121.415 120.400 0.016 0.000 2.168 133 D HA 0.745 5.386 4.640 0.002 0.000 0.246 133 D C 0.006 176.276 176.300 -0.051 0.000 1.050 133 D CA -0.030 53.927 54.000 -0.072 0.000 0.857 133 D CB 1.763 42.503 40.800 -0.100 0.000 1.169 133 D HN 0.855 nan 8.370 nan 0.000 0.453 134 A N 2.571 125.343 122.820 -0.079 0.000 2.288 134 A HA 0.731 5.052 4.320 0.002 0.000 0.328 134 A C -2.409 175.147 177.584 -0.047 0.000 1.123 134 A CA -1.407 50.607 52.037 -0.038 0.000 0.861 134 A CB 0.292 19.273 19.000 -0.033 0.000 1.272 134 A HN 0.345 nan 8.150 nan 0.000 0.490 135 P HA 0.333 nan 4.420 nan 0.000 0.268 135 P C 0.889 178.165 177.300 -0.040 0.000 1.204 135 P CA 1.737 64.822 63.100 -0.026 0.000 0.768 135 P CB 0.683 32.380 31.700 -0.005 0.000 0.842 136 G N 1.473 110.242 108.800 -0.052 0.000 2.189 136 G HA2 -0.329 3.632 3.960 0.002 0.000 0.267 136 G HA3 -0.329 3.632 3.960 0.002 0.000 0.267 136 G C 0.350 175.194 174.900 -0.092 0.000 0.975 136 G CA 0.044 45.106 45.100 -0.062 0.000 0.644 136 G HN 0.670 nan 8.290 nan 0.000 0.537 137 Q N 0.181 119.912 119.800 -0.115 0.000 2.263 137 Q HA 0.504 4.846 4.340 0.002 0.000 0.289 137 Q C 1.765 177.638 176.000 -0.212 0.000 1.061 137 Q CA 0.639 56.343 55.803 -0.166 0.000 0.927 137 Q CB 0.623 29.228 28.738 -0.221 0.000 1.154 137 Q HN 0.717 nan 8.270 nan 0.000 0.378 138 A N 5.246 127.918 122.820 -0.247 0.000 1.929 138 A HA -0.071 4.250 4.320 0.002 0.000 0.216 138 A C 0.145 177.328 177.584 -0.668 0.000 1.176 138 A CA 1.020 52.807 52.037 -0.418 0.000 0.628 138 A CB 0.057 18.805 19.000 -0.420 0.000 0.816 138 A HN 0.799 nan 8.150 nan 0.000 0.444 139 H N -0.839 118.098 119.070 -0.221 0.000 2.667 139 H HA 0.392 4.949 4.556 0.002 0.000 0.353 139 H C -0.760 174.316 175.328 -0.421 0.000 1.072 139 H CA -0.562 55.331 56.048 -0.259 0.000 1.214 139 H CB 1.564 31.185 29.762 -0.235 0.000 1.600 139 H HN 0.216 nan 8.280 nan 0.000 0.527 140 S N 1.696 117.282 115.700 -0.190 0.000 2.580 140 S HA 0.082 4.554 4.470 0.002 0.000 0.274 140 S C 0.074 174.579 174.600 -0.157 0.000 1.329 140 S CA -0.336 57.724 58.200 -0.233 0.000 1.036 140 S CB 0.264 63.406 63.200 -0.095 0.000 0.919 140 S HN 0.447 nan 8.310 nan 0.000 0.515 141 Y N 2.689 122.987 120.300 -0.003 0.000 2.532 141 Y HA 0.306 4.857 4.550 0.002 0.000 0.283 141 Y C 1.765 177.677 175.900 0.019 0.000 1.181 141 Y CA -0.563 57.557 58.100 0.034 0.000 1.256 141 Y CB -0.526 37.923 38.460 -0.020 0.000 1.112 141 Y HN 0.740 nan 8.280 nan 0.000 0.521 142 K N 0.070 120.496 120.400 0.043 0.000 2.059 142 K HA -0.225 4.096 4.320 0.002 0.000 0.212 142 K C 0.251 176.701 176.600 -0.250 0.000 1.050 142 K CA 1.963 58.129 56.287 -0.202 0.000 0.927 142 K CB -0.180 32.028 32.500 -0.487 0.000 0.714 142 K HN 0.301 nan 8.250 nan 0.000 0.447 143 Y N -0.187 120.221 120.300 0.180 0.000 2.625 143 Y HA 0.353 4.904 4.550 0.001 0.000 0.285 143 Y C 0.599 176.501 175.900 0.003 0.000 1.168 143 Y CA 0.124 58.246 58.100 0.038 0.000 1.250 143 Y CB 0.991 39.387 38.460 -0.106 0.000 1.130 143 Y HN 0.317 nan 8.280 nan 0.000 0.526 144 G N -0.647 108.311 108.800 0.263 0.000 2.354 144 G HA2 0.211 4.172 3.960 0.002 0.000 0.582 144 G HA3 0.211 4.172 3.960 0.002 0.000 0.582 144 G C -0.024 175.057 174.900 0.302 0.000 1.316 144 G CA -0.245 44.978 45.100 0.205 0.000 0.995 144 G HN 0.303 nan 8.290 nan 0.000 0.573 145 S N -1.270 114.496 115.700 0.110 0.000 4.002 145 S HA 0.357 4.828 4.470 0.002 0.000 0.167 145 S C 1.999 176.609 174.600 0.016 0.000 0.914 145 S CA 0.556 58.724 58.200 -0.053 0.000 1.110 145 S CB -0.246 62.616 63.200 -0.564 0.000 1.714 145 S HN 0.934 nan 8.310 nan 0.000 0.858 146 L N 2.803 123.997 121.223 -0.049 0.000 2.353 146 L HA 0.057 4.398 4.340 0.002 0.000 0.220 146 L C 2.003 178.905 176.870 0.054 0.000 1.133 146 L CA 1.445 56.265 54.840 -0.034 0.000 0.798 146 L CB -0.524 41.460 42.059 -0.125 0.000 0.922 146 L HN 0.719 nan 8.230 nan 0.000 0.445 147 S N -3.366 112.414 115.700 0.135 0.000 2.650 147 S HA 0.060 4.532 4.470 0.002 0.000 0.240 147 S C 0.622 175.311 174.600 0.149 0.000 1.007 147 S CA -0.634 57.663 58.200 0.162 0.000 0.984 147 S CB -0.260 63.069 63.200 0.214 0.000 0.910 147 S HN 0.296 nan 8.310 nan 0.000 0.509 148 H N 2.790 121.905 119.070 0.075 0.000 2.871 148 H HA 0.078 4.635 4.556 0.002 0.000 0.355 148 H C 1.587 176.949 175.328 0.057 0.000 1.092 148 H CA 1.674 57.776 56.048 0.090 0.000 1.420 148 H CB 1.496 31.326 29.762 0.112 0.000 1.400 148 H HN 0.442 nan 8.280 nan 0.000 0.604 149 T N 1.015 115.614 114.554 0.075 0.000 2.915 149 T HA -0.162 4.189 4.350 0.002 0.000 0.269 149 T C 0.960 175.783 174.700 0.206 0.000 1.071 149 T CA 0.651 62.814 62.100 0.106 0.000 1.132 149 T CB -0.116 68.750 68.868 -0.004 0.000 0.878 149 T HN 0.451 nan 8.240 nan 0.000 0.479 150 N N 1.166 120.145 118.700 0.465 0.000 2.420 150 N HA 0.499 5.240 4.740 0.002 0.000 0.262 150 N C 1.145 176.654 175.510 -0.003 0.000 1.144 150 N CA 0.371 53.506 53.050 0.142 0.000 0.952 150 N CB 0.975 39.450 38.487 -0.021 0.000 1.081 150 N HN 0.230 nan 8.380 nan 0.000 0.480 151 A N 4.222 127.023 122.820 -0.031 0.000 1.892 151 A HA -0.173 4.148 4.320 0.002 0.000 0.218 151 A C 2.145 179.656 177.584 -0.122 0.000 1.188 151 A CA 2.040 54.044 52.037 -0.054 0.000 0.631 151 A CB -1.338 17.637 19.000 -0.042 0.000 0.822 151 A HN 0.796 nan 8.150 nan 0.000 0.447 152 A N -1.128 121.565 122.820 -0.212 0.000 1.908 152 A HA -0.132 4.189 4.320 0.002 0.000 0.218 152 A C 2.308 179.632 177.584 -0.433 0.000 1.181 152 A CA 2.461 54.297 52.037 -0.336 0.000 0.627 152 A CB -1.341 17.355 19.000 -0.505 0.000 0.818 152 A HN 0.472 nan 8.150 nan 0.000 0.445 153 T N -0.345 113.905 114.554 -0.506 0.000 2.746 153 T HA -0.132 4.219 4.350 0.002 0.000 0.267 153 T C 2.045 176.713 174.700 -0.054 0.000 1.039 153 T CA 1.451 63.357 62.100 -0.323 0.000 1.142 153 T CB -0.244 68.311 68.868 -0.522 0.000 0.866 153 T HN 0.527 nan 8.240 nan 0.000 0.444 154 R N 1.104 121.575 120.500 -0.048 0.000 2.081 154 R HA 0.017 4.358 4.340 0.002 0.000 0.235 154 R C 2.849 179.141 176.300 -0.013 0.000 1.131 154 R CA 1.325 57.425 56.100 -0.002 0.000 0.960 154 R CB -0.561 29.738 30.300 -0.002 0.000 0.856 154 R HN 0.373 nan 8.270 nan 0.000 0.436 155 A N 1.248 124.047 122.820 -0.034 0.000 1.933 155 A HA -0.251 4.070 4.320 0.002 0.000 0.218 155 A C 2.143 179.735 177.584 0.014 0.000 1.175 155 A CA 1.485 53.509 52.037 -0.022 0.000 0.628 155 A CB -0.530 18.450 19.000 -0.034 0.000 0.814 155 A HN 0.416 nan 8.150 nan 0.000 0.444 156 Q N -0.510 119.314 119.800 0.040 0.000 2.124 156 Q HA -0.108 4.233 4.340 0.002 0.000 0.202 156 Q C 2.119 178.213 176.000 0.156 0.000 0.977 156 Q CA 1.550 57.417 55.803 0.107 0.000 0.850 156 Q CB -0.333 28.495 28.738 0.150 0.000 0.901 156 Q HN 0.587 nan 8.270 nan 0.000 0.429 157 A N 0.024 122.933 122.820 0.147 0.000 1.898 157 A HA -0.095 4.226 4.320 0.002 0.000 0.216 157 A C 2.202 179.814 177.584 0.046 0.000 1.181 157 A CA 1.339 53.420 52.037 0.074 0.000 0.620 157 A CB -0.644 18.306 19.000 -0.083 0.000 0.819 157 A HN 0.294 nan 8.150 nan 0.000 0.442 158 V N 0.168 120.086 119.914 0.006 0.000 2.295 158 V HA -0.242 3.879 4.120 0.002 0.000 0.246 158 V C 2.645 178.730 176.094 -0.015 0.000 1.049 158 V CA 2.432 64.716 62.300 -0.027 0.000 1.024 158 V CB -0.697 31.099 31.823 -0.044 0.000 0.648 158 V HN 0.691 nan 8.190 nan 0.000 0.447 159 E N -0.048 120.159 120.200 0.012 0.000 2.085 159 E HA -0.264 4.087 4.350 0.002 0.000 0.194 159 E C 2.215 178.822 176.600 0.013 0.000 0.994 159 E CA 1.779 58.182 56.400 0.005 0.000 0.801 159 E CB -0.541 29.173 29.700 0.024 0.000 0.743 159 E HN 0.755 nan 8.360 nan 0.000 0.453 160 H N 0.113 119.172 119.070 -0.019 0.000 2.321 160 H HA -0.081 4.476 4.556 0.002 0.000 0.300 160 H C 1.695 176.993 175.328 -0.051 0.000 1.087 160 H CA 1.690 57.724 56.048 -0.024 0.000 1.319 160 H CB 0.012 29.774 29.762 -0.001 0.000 1.379 160 H HN 0.199 nan 8.280 nan 0.000 0.501 161 N N 0.721 119.323 118.700 -0.163 0.000 2.120 161 N HA -0.124 4.617 4.740 0.002 0.000 0.188 161 N C 2.358 177.745 175.510 -0.205 0.000 1.024 161 N CA 1.034 53.960 53.050 -0.207 0.000 0.852 161 N CB -0.096 38.338 38.487 -0.089 0.000 1.003 161 N HN 0.379 nan 8.380 nan 0.000 0.424 162 L N 1.234 122.361 121.223 -0.160 0.000 2.131 162 L HA -0.138 4.203 4.340 0.002 0.000 0.210 162 L C 2.444 179.203 176.870 -0.186 0.000 1.092 162 L CA 1.057 55.796 54.840 -0.168 0.000 0.759 162 L CB -0.349 41.634 42.059 -0.128 0.000 0.903 162 L HN 0.242 nan 8.230 nan 0.000 0.435 163 E N -0.358 119.732 120.200 -0.183 0.000 2.152 163 E HA -0.201 4.150 4.350 0.002 0.000 0.192 163 E C 2.317 178.804 176.600 -0.189 0.000 0.983 163 E CA 1.174 57.474 56.400 -0.166 0.000 0.818 163 E CB 0.068 29.685 29.700 -0.137 0.000 0.758 163 E HN 0.536 nan 8.360 nan 0.000 0.467 164 C N 0.423 119.569 119.300 -0.257 0.000 2.429 164 C HA -0.072 4.389 4.460 0.002 0.000 0.277 164 C C 2.513 177.447 174.990 -0.094 0.000 1.262 164 C CA 0.341 59.242 59.018 -0.194 0.000 1.733 164 C CB -0.784 26.814 27.740 -0.237 0.000 2.010 164 C HN 0.497 nan 8.230 nan 0.000 0.483 165 I N 0.645 121.113 120.570 -0.170 0.000 2.286 165 I HA -0.160 4.011 4.170 0.002 0.000 0.248 165 I C 2.573 178.497 176.117 -0.323 0.000 1.115 165 I CA 1.272 62.364 61.300 -0.347 0.000 1.392 165 I CB -0.538 37.127 38.000 -0.558 0.000 1.065 165 I HN 0.342 nan 8.210 nan 0.000 0.418 166 E N 0.901 120.963 120.200 -0.230 0.000 2.077 166 E HA -0.175 4.176 4.350 0.002 0.000 0.193 166 E C 2.260 178.804 176.600 -0.093 0.000 0.989 166 E CA 1.325 57.624 56.400 -0.168 0.000 0.800 166 E CB -0.203 29.416 29.700 -0.135 0.000 0.746 166 E HN 0.539 nan 8.360 nan 0.000 0.452 167 I N 0.374 120.900 120.570 -0.073 0.000 2.252 167 I HA -0.146 4.025 4.170 0.002 0.000 0.245 167 I C 2.461 178.570 176.117 -0.014 0.000 1.102 167 I CA 1.187 62.456 61.300 -0.052 0.000 1.385 167 I CB -0.556 37.405 38.000 -0.066 0.000 1.064 167 I HN 0.095 nan 8.210 nan 0.000 0.414 168 G N 0.985 109.836 108.800 0.084 0.000 2.432 168 G HA2 -0.200 3.761 3.960 0.002 0.000 0.219 168 G HA3 -0.200 3.761 3.960 0.002 0.000 0.219 168 G C 1.734 176.825 174.900 0.318 0.000 1.135 168 G CA 0.414 45.657 45.100 0.239 0.000 0.767 168 G HN 0.313 nan 8.290 nan 0.000 0.550 169 K N 0.500 121.047 120.400 0.244 0.000 2.148 169 K HA 0.078 4.400 4.320 0.002 0.000 0.204 169 K C 2.796 179.455 176.600 0.099 0.000 1.050 169 K CA 0.895 57.295 56.287 0.188 0.000 0.942 169 K CB -0.101 32.378 32.500 -0.036 0.000 0.724 169 K HN 0.286 nan 8.250 nan 0.000 0.446 170 A N 1.629 124.473 122.820 0.041 0.000 2.067 170 A HA -0.033 4.288 4.320 0.002 0.000 0.217 170 A C 1.929 179.528 177.584 0.024 0.000 1.156 170 A CA 0.748 52.796 52.037 0.019 0.000 0.683 170 A CB -0.443 18.551 19.000 -0.009 0.000 0.808 170 A HN 0.437 nan 8.150 nan 0.000 0.455 171 I N -5.879 114.695 120.570 0.008 0.000 4.018 171 I HA 0.505 4.677 4.170 0.002 0.000 0.337 171 I C 1.096 177.303 176.117 0.150 0.000 1.327 171 I CA 0.623 61.923 61.300 -0.000 0.000 1.100 171 I CB 0.349 38.141 38.000 -0.348 0.000 1.025 171 I HN 0.295 nan 8.210 nan 0.000 0.396 172 G N 1.530 110.409 108.800 0.132 0.000 2.163 172 G HA2 -0.257 3.704 3.960 0.002 0.000 0.213 172 G HA3 -0.257 3.704 3.960 0.002 0.000 0.213 172 G C 0.281 175.229 174.900 0.080 0.000 0.991 172 G CA 0.221 45.398 45.100 0.129 0.000 0.653 172 G HN 0.516 nan 8.290 nan 0.000 0.518 173 S N -0.216 115.527 115.700 0.071 0.000 2.585 173 S HA 0.596 5.067 4.470 0.002 0.000 0.273 173 S C 0.940 175.233 174.600 -0.511 0.000 1.339 173 S CA 0.142 58.266 58.200 -0.127 0.000 1.028 173 S CB 0.727 63.878 63.200 -0.082 0.000 0.906 173 S HN 0.191 nan 8.310 nan 0.000 0.528 174 K N 1.686 121.542 120.400 -0.908 0.000 2.592 174 K HA 0.489 4.810 4.320 0.002 0.000 0.203 174 K C -0.496 175.065 176.600 -1.731 0.000 1.070 174 K CA -0.027 55.371 56.287 -1.482 0.000 1.062 174 K CB 0.655 32.772 32.500 -0.639 0.000 0.814 174 K HN 0.602 nan 8.250 nan 0.000 0.502 175 A N 0.602 122.372 122.820 -1.749 0.000 2.597 175 A HA 0.635 4.956 4.320 0.002 0.000 0.292 175 A C -2.166 175.175 177.584 -0.405 0.000 1.057 175 A CA -0.752 50.743 52.037 -0.904 0.000 0.674 175 A CB 1.160 19.790 19.000 -0.616 0.000 1.278 175 A HN 0.092 nan 8.150 nan 0.000 0.416 176 L N 0.659 121.834 121.223 -0.079 0.000 2.381 176 L HA 0.793 5.135 4.340 0.002 0.000 0.274 176 L C -0.534 176.365 176.870 0.048 0.000 0.988 176 L CA 0.264 55.156 54.840 0.087 0.000 0.824 176 L CB 2.110 44.274 42.059 0.175 0.000 1.263 176 L HN 0.661 nan 8.230 nan 0.000 0.410 177 T N 4.561 119.193 114.554 0.130 0.000 2.767 177 T HA 0.587 4.938 4.350 0.002 0.000 0.284 177 T C -0.682 174.117 174.700 0.165 0.000 0.973 177 T CA -0.303 61.923 62.100 0.211 0.000 0.996 177 T CB 1.213 70.241 68.868 0.267 0.000 0.927 177 T HN 0.364 nan 8.240 nan 0.000 0.456 178 V N 4.549 124.574 119.914 0.185 0.000 2.334 178 V HA 0.458 4.579 4.120 0.002 0.000 0.281 178 V C -0.889 175.357 176.094 0.253 0.000 1.016 178 V CA -0.982 61.424 62.300 0.176 0.000 0.832 178 V CB 0.842 32.738 31.823 0.122 0.000 0.999 178 V HN 0.910 nan 8.190 nan 0.000 0.439 179 W N 8.427 129.804 121.300 0.128 0.000 2.619 179 W HA 0.808 5.469 4.660 0.001 0.000 0.327 179 W C -0.815 175.798 176.519 0.157 0.000 1.027 179 W CA -0.920 56.496 57.345 0.118 0.000 1.233 179 W CB 1.315 30.829 29.460 0.090 0.000 1.370 179 W HN 0.603 nan 8.180 nan 0.000 0.453 180 I N 2.883 122.887 120.570 -0.944 0.000 2.892 180 I HA 0.803 4.974 4.170 0.002 0.000 0.306 180 I C 0.786 176.163 176.117 -1.233 0.000 1.078 180 I CA -1.173 59.607 61.300 -0.867 0.000 1.032 180 I CB 2.197 40.008 38.000 -0.316 0.000 1.229 180 I HN 0.646 nan 8.210 nan 0.000 0.435 181 G N 1.485 109.777 108.800 -0.846 0.000 2.985 181 G HA2 0.039 4.000 3.960 0.002 0.000 0.209 181 G HA3 0.039 4.000 3.960 0.002 0.000 0.209 181 G C 0.025 174.758 174.900 -0.279 0.000 1.165 181 G CA -0.139 44.630 45.100 -0.551 0.000 0.776 181 G HN 0.741 nan 8.290 nan 0.000 0.541 182 D N 0.878 121.144 120.400 -0.224 0.000 2.752 182 D HA 0.390 5.032 4.640 0.002 0.000 0.225 182 D C 0.936 177.188 176.300 -0.080 0.000 1.104 182 D CA 1.872 55.816 54.000 -0.093 0.000 0.832 182 D CB 0.713 41.493 40.800 -0.034 0.000 1.161 182 D HN 0.385 nan 8.370 nan 0.000 0.505 183 G N 0.117 108.904 108.800 -0.020 0.000 2.356 183 G HA2 0.515 4.476 3.960 0.002 0.000 0.281 183 G HA3 0.515 4.476 3.960 0.002 0.000 0.281 183 G C -1.372 173.573 174.900 0.075 0.000 1.246 183 G CA -0.173 44.930 45.100 0.005 0.000 0.889 183 G HN 0.767 nan 8.290 nan 0.000 0.486 184 S N -1.268 114.502 115.700 0.117 0.000 2.588 184 S HA 0.653 5.124 4.470 0.002 0.000 0.275 184 S C -0.363 174.351 174.600 0.189 0.000 1.130 184 S CA -0.728 57.593 58.200 0.201 0.000 0.855 184 S CB 2.235 65.619 63.200 0.306 0.000 1.116 184 S HN 0.413 nan 8.310 nan 0.000 0.472 185 N N -0.431 118.349 118.700 0.132 0.000 2.220 185 N HA 0.423 5.164 4.740 0.002 0.000 0.195 185 N C -1.446 173.743 175.510 -0.536 0.000 1.123 185 N CA 0.191 53.151 53.050 -0.151 0.000 0.874 185 N CB 0.036 38.340 38.487 -0.305 0.000 0.995 185 N HN 0.594 nan 8.380 nan 0.000 0.498 186 F N -0.154 119.873 119.950 0.129 0.000 2.591 186 F HA 0.441 4.969 4.527 0.001 0.000 0.309 186 F C -2.307 173.300 175.800 -0.321 0.000 1.098 186 F CA -2.442 55.492 58.000 -0.110 0.000 0.937 186 F CB 1.843 40.810 39.000 -0.056 0.000 1.250 186 F HN -0.301 nan 8.300 nan 0.000 0.447 187 P HA 0.211 nan 4.420 nan 0.000 0.265 187 P C 0.704 177.914 177.300 -0.150 0.000 1.193 187 P CA 1.307 64.075 63.100 -0.552 0.000 0.765 187 P CB 0.707 32.115 31.700 -0.485 0.000 0.823 188 G N 2.386 111.122 108.800 -0.108 0.000 2.284 188 G HA2 -0.367 3.594 3.960 0.002 0.000 0.247 188 G HA3 -0.367 3.594 3.960 0.002 0.000 0.247 188 G C 1.285 176.150 174.900 -0.058 0.000 1.012 188 G CA 0.513 45.553 45.100 -0.100 0.000 0.618 188 G HN 0.570 nan 8.290 nan 0.000 0.521 189 Q N 0.632 120.443 119.800 0.019 0.000 2.096 189 Q HA 0.064 4.405 4.340 0.002 0.000 0.204 189 Q C 0.980 176.988 176.000 0.013 0.000 0.982 189 Q CA 1.827 57.658 55.803 0.046 0.000 0.850 189 Q CB -0.093 28.752 28.738 0.178 0.000 0.901 189 Q HN 0.562 nan 8.270 nan 0.000 0.422 190 S N 0.525 116.243 115.700 0.030 0.000 2.566 190 S HA 0.319 4.790 4.470 0.002 0.000 0.298 190 S C -0.864 173.671 174.600 -0.109 0.000 1.083 190 S CA -0.907 57.300 58.200 0.013 0.000 0.978 190 S CB 1.562 64.837 63.200 0.125 0.000 1.073 190 S HN 0.333 nan 8.310 nan 0.000 0.491 191 N N 1.585 120.243 118.700 -0.070 0.000 2.457 191 N HA 0.177 4.918 4.740 0.002 0.000 0.250 191 N C 0.261 175.785 175.510 0.023 0.000 0.982 191 N CA -0.346 52.631 53.050 -0.121 0.000 0.941 191 N CB 0.199 38.655 38.487 -0.051 0.000 1.120 191 N HN 0.365 nan 8.380 nan 0.000 0.505 192 F N 2.086 122.062 119.950 0.043 0.000 2.087 192 F HA -0.209 4.319 4.527 0.001 0.000 0.299 192 F C 2.442 178.278 175.800 0.060 0.000 1.100 192 F CA 1.267 59.281 58.000 0.024 0.000 1.226 192 F CB -1.270 37.724 39.000 -0.010 0.000 0.983 192 F HN 0.421 nan 8.300 nan 0.000 0.479 193 T N 0.350 115.057 114.554 0.255 0.000 2.668 193 T HA -0.135 4.217 4.350 0.002 0.000 0.262 193 T C 2.170 176.975 174.700 0.174 0.000 1.045 193 T CA 1.206 63.429 62.100 0.205 0.000 1.152 193 T CB -0.146 68.803 68.868 0.135 0.000 0.864 193 T HN 0.023 nan 8.240 nan 0.000 0.419 194 R N 1.442 122.010 120.500 0.112 0.000 2.091 194 R HA 0.072 4.413 4.340 0.002 0.000 0.238 194 R C 2.678 179.042 176.300 0.105 0.000 1.136 194 R CA 1.426 57.574 56.100 0.080 0.000 0.959 194 R CB -1.264 29.062 30.300 0.043 0.000 0.856 194 R HN 0.463 nan 8.270 nan 0.000 0.437 195 A N 0.471 123.376 122.820 0.141 0.000 1.902 195 A HA -0.163 4.158 4.320 0.002 0.000 0.217 195 A C 2.013 179.739 177.584 0.236 0.000 1.181 195 A CA 1.132 53.266 52.037 0.161 0.000 0.623 195 A CB -0.616 18.482 19.000 0.164 0.000 0.818 195 A HN 0.278 nan 8.150 nan 0.000 0.443 196 F N 1.103 121.092 119.950 0.065 0.000 2.259 196 F HA -0.039 4.489 4.527 0.002 0.000 0.298 196 F C 2.080 177.941 175.800 0.101 0.000 1.088 196 F CA 1.569 59.599 58.000 0.050 0.000 1.358 196 F CB -0.403 38.593 39.000 -0.005 0.000 1.040 196 F HN 0.392 nan 8.300 nan 0.000 0.505 197 E N -0.188 120.024 120.200 0.020 0.000 2.072 197 E HA -0.194 4.157 4.350 0.002 0.000 0.191 197 E C 2.318 178.882 176.600 -0.060 0.000 0.985 197 E CA 1.045 57.386 56.400 -0.097 0.000 0.801 197 E CB -0.184 29.500 29.700 -0.028 0.000 0.750 197 E HN 0.411 nan 8.360 nan 0.000 0.452 198 R N -0.022 120.492 120.500 0.023 0.000 2.081 198 R HA -0.162 4.179 4.340 0.002 0.000 0.235 198 R C 2.344 178.664 176.300 0.032 0.000 1.131 198 R CA 1.375 57.492 56.100 0.029 0.000 0.960 198 R CB -0.427 29.912 30.300 0.065 0.000 0.856 198 R HN 0.276 nan 8.270 nan 0.000 0.436 199 Y N 1.767 122.041 120.300 -0.043 0.000 2.145 199 Y HA -0.189 4.362 4.550 0.002 0.000 0.286 199 Y C 1.988 177.820 175.900 -0.114 0.000 1.145 199 Y CA 1.467 59.545 58.100 -0.037 0.000 1.148 199 Y CB -0.376 38.120 38.460 0.061 0.000 0.981 199 Y HN -0.078 nan 8.280 nan 0.000 0.507 200 L N -0.762 120.427 121.223 -0.057 0.000 2.042 200 L HA -0.252 4.089 4.340 0.002 0.000 0.210 200 L C 2.828 179.573 176.870 -0.209 0.000 1.076 200 L CA 1.727 56.446 54.840 -0.201 0.000 0.749 200 L CB -0.865 40.986 42.059 -0.347 0.000 0.893 200 L HN 0.254 nan 8.230 nan 0.000 0.432 201 S N -0.600 115.002 115.700 -0.164 0.000 2.383 201 S HA -0.119 4.352 4.470 0.002 0.000 0.227 201 S C 2.090 176.607 174.600 -0.138 0.000 1.026 201 S CA 1.123 59.244 58.200 -0.132 0.000 0.981 201 S CB -0.030 63.115 63.200 -0.093 0.000 0.818 201 S HN 0.442 nan 8.310 nan 0.000 0.472 202 A N 1.587 124.307 122.820 -0.167 0.000 1.898 202 A HA 0.054 4.375 4.320 0.002 0.000 0.216 202 A C 2.209 179.668 177.584 -0.208 0.000 1.181 202 A CA 1.318 53.254 52.037 -0.169 0.000 0.620 202 A CB -0.516 18.379 19.000 -0.176 0.000 0.819 202 A HN 0.518 nan 8.150 nan 0.000 0.442 203 M N -0.320 119.088 119.600 -0.320 0.000 2.229 203 M HA -0.088 4.393 4.480 0.002 0.000 0.264 203 M C 2.450 178.682 176.300 -0.115 0.000 1.063 203 M CA 1.384 56.521 55.300 -0.272 0.000 1.114 203 M CB -1.350 31.012 32.600 -0.396 0.000 1.387 203 M HN 0.504 nan 8.290 nan 0.000 0.420 204 A N 0.183 122.927 122.820 -0.128 0.000 1.933 204 A HA -0.171 4.150 4.320 0.002 0.000 0.218 204 A C 2.056 179.625 177.584 -0.025 0.000 1.175 204 A CA 1.587 53.570 52.037 -0.089 0.000 0.628 204 A CB -0.617 18.307 19.000 -0.126 0.000 0.814 204 A HN 0.563 nan 8.150 nan 0.000 0.444 205 E N -0.417 119.750 120.200 -0.055 0.000 2.150 205 E HA -0.111 4.240 4.350 0.002 0.000 0.193 205 E C 1.837 178.415 176.600 -0.035 0.000 0.985 205 E CA 1.047 57.421 56.400 -0.043 0.000 0.814 205 E CB -0.240 29.424 29.700 -0.060 0.000 0.752 205 E HN 0.716 nan 8.360 nan 0.000 0.466 206 I N 0.157 120.701 120.570 -0.043 0.000 2.353 206 I HA -0.245 3.926 4.170 0.002 0.000 0.248 206 I C 2.325 178.425 176.117 -0.028 0.000 1.119 206 I CA 0.825 62.092 61.300 -0.055 0.000 1.417 206 I CB -0.225 37.733 38.000 -0.070 0.000 1.078 206 I HN 0.109 nan 8.210 nan 0.000 0.421 207 Y N 2.292 122.530 120.300 -0.103 0.000 2.224 207 Y HA -0.246 4.305 4.550 0.002 0.000 0.289 207 Y C 2.379 178.227 175.900 -0.087 0.000 1.146 207 Y CA 1.641 59.689 58.100 -0.085 0.000 1.182 207 Y CB -0.163 38.252 38.460 -0.076 0.000 0.983 207 Y HN 0.001 nan 8.280 nan 0.000 0.524 208 K N -0.974 119.505 120.400 0.133 0.000 2.280 208 K HA -0.088 4.233 4.320 0.002 0.000 0.202 208 K C 1.961 178.523 176.600 -0.063 0.000 1.047 208 K CA 1.013 57.330 56.287 0.051 0.000 0.942 208 K CB -0.420 32.092 32.500 0.020 0.000 0.739 208 K HN 0.421 nan 8.250 nan 0.000 0.457 209 G N 0.657 109.388 108.800 -0.114 0.000 3.042 209 G HA2 0.079 4.040 3.960 0.002 0.000 0.212 209 G HA3 0.079 4.040 3.960 0.002 0.000 0.212 209 G C 0.259 174.988 174.900 -0.284 0.000 1.166 209 G CA -0.298 44.693 45.100 -0.181 0.000 0.767 209 G HN 0.026 nan 8.290 nan 0.000 0.546 210 L N 1.438 122.481 121.223 -0.301 0.000 2.331 210 L HA 0.280 4.621 4.340 0.002 0.000 0.278 210 L C -1.924 174.748 176.870 -0.330 0.000 1.106 210 L CA -1.760 52.855 54.840 -0.375 0.000 0.824 210 L CB 1.400 43.229 42.059 -0.385 0.000 1.142 210 L HN -0.067 nan 8.230 nan 0.000 0.443 211 P HA 0.014 nan 4.420 nan 0.000 0.271 211 P C 0.061 177.315 177.300 -0.078 0.000 1.244 211 P CA -0.352 62.598 63.100 -0.250 0.000 0.793 211 P CB 0.586 32.092 31.700 -0.323 0.000 0.984 212 D N 0.368 120.749 120.400 -0.031 0.000 2.218 212 D HA -0.140 4.502 4.640 0.002 0.000 0.204 212 D C 0.663 176.988 176.300 0.041 0.000 0.976 212 D CA 1.384 55.383 54.000 -0.002 0.000 0.853 212 D CB -0.229 40.573 40.800 0.003 0.000 0.939 212 D HN 0.547 nan 8.370 nan 0.000 0.481 213 D N -1.209 119.254 120.400 0.106 0.000 2.491 213 D HA -0.015 4.626 4.640 0.002 0.000 0.228 213 D C -0.172 176.215 176.300 0.146 0.000 1.183 213 D CA -0.484 53.580 54.000 0.106 0.000 0.827 213 D CB -0.614 40.239 40.800 0.089 0.000 0.989 213 D HN 0.039 nan 8.370 nan 0.000 0.494 214 W N 0.961 122.175 121.300 -0.144 0.000 2.647 214 W HA 0.504 5.165 4.660 0.002 0.000 0.353 214 W C 0.280 176.642 176.519 -0.262 0.000 1.080 214 W CA -0.733 56.495 57.345 -0.193 0.000 1.208 214 W CB 1.549 30.885 29.460 -0.207 0.000 1.396 214 W HN -0.385 nan 8.180 nan 0.000 0.573 215 K N 1.834 122.105 120.400 -0.215 0.000 2.375 215 K HA 0.600 4.921 4.320 0.002 0.000 0.249 215 K C -1.714 174.548 176.600 -0.564 0.000 0.942 215 K CA -1.294 54.735 56.287 -0.431 0.000 0.806 215 K CB 2.384 34.490 32.500 -0.656 0.000 1.227 215 K HN 0.236 nan 8.250 nan 0.000 0.430 216 L N 3.402 124.367 121.223 -0.429 0.000 2.294 216 L HA 0.466 4.807 4.340 0.002 0.000 0.283 216 L C -1.671 175.103 176.870 -0.159 0.000 1.015 216 L CA -0.262 54.424 54.840 -0.256 0.000 0.831 216 L CB 0.386 42.401 42.059 -0.074 0.000 1.217 216 L HN 0.373 nan 8.230 nan 0.000 0.420 217 F N 3.079 123.056 119.950 0.045 0.000 2.385 217 F HA 0.515 5.043 4.527 0.002 0.000 0.360 217 F C 0.634 176.473 175.800 0.065 0.000 1.122 217 F CA -0.860 57.158 58.000 0.030 0.000 1.090 217 F CB 1.302 40.286 39.000 -0.026 0.000 1.150 217 F HN 0.520 nan 8.300 nan 0.000 0.472 218 S N 1.679 117.554 115.700 0.292 0.000 2.508 218 S HA 0.473 4.944 4.470 0.002 0.000 0.284 218 S C -0.511 174.216 174.600 0.212 0.000 1.192 218 S CA -0.900 57.458 58.200 0.263 0.000 1.070 218 S CB 1.791 65.171 63.200 0.300 0.000 1.004 218 S HN 0.690 nan 8.310 nan 0.000 0.493 219 E N 2.916 123.240 120.200 0.208 0.000 2.129 219 E HA 0.190 4.541 4.350 0.002 0.000 0.268 219 E C -0.155 176.582 176.600 0.228 0.000 0.900 219 E CA -0.787 55.688 56.400 0.126 0.000 0.755 219 E CB 0.545 30.294 29.700 0.083 0.000 1.117 219 E HN 0.913 nan 8.360 nan 0.000 0.410 220 H N 3.264 122.432 119.070 0.163 0.000 2.547 220 H HA 0.501 5.058 4.556 0.002 0.000 0.362 220 H C -0.824 174.625 175.328 0.203 0.000 1.181 220 H CA -0.668 55.461 56.048 0.135 0.000 1.376 220 H CB 1.294 31.095 29.762 0.066 0.000 1.488 220 H HN 0.398 nan 8.280 nan 0.000 0.583 221 K N 2.409 122.926 120.400 0.194 0.000 2.571 221 K HA 0.097 4.418 4.320 0.002 0.000 0.252 221 K C 0.668 177.253 176.600 -0.025 0.000 0.956 221 K CA -0.584 55.684 56.287 -0.031 0.000 0.822 221 K CB 2.611 35.015 32.500 -0.160 0.000 1.286 221 K HN 0.703 nan 8.250 nan 0.000 0.439 222 M N 3.251 122.831 119.600 -0.033 0.000 2.086 222 M HA -0.114 4.367 4.480 0.002 0.000 0.261 222 M C -0.361 176.026 176.300 0.144 0.000 1.067 222 M CA 1.734 57.082 55.300 0.079 0.000 1.116 222 M CB 0.126 32.853 32.600 0.213 0.000 1.348 222 M HN 0.617 nan 8.290 nan 0.000 0.407 223 Y N -2.548 117.720 120.300 -0.054 0.000 2.750 223 Y HA 0.511 5.062 4.550 0.003 0.000 0.335 223 Y C -1.114 174.746 175.900 -0.066 0.000 1.252 223 Y CA -1.688 56.382 58.100 -0.051 0.000 1.064 223 Y CB 0.302 38.793 38.460 0.052 0.000 1.321 223 Y HN 0.313 nan 8.280 nan 0.000 0.451 224 E N 1.568 121.703 120.200 -0.108 0.000 7.504 224 E HA -0.113 4.238 4.350 0.002 0.000 0.337 224 E C -2.386 174.122 176.600 -0.154 0.000 0.701 224 E CA 0.464 56.720 56.400 -0.241 0.000 1.302 224 E CB 0.168 29.810 29.700 -0.096 0.000 0.927 224 E HN 0.667 nan 8.360 nan 0.000 0.263 225 P HA -0.003 nan 4.420 nan 0.000 0.233 225 P C 0.221 176.990 177.300 -0.886 0.000 1.167 225 P CA 1.070 63.898 63.100 -0.453 0.000 0.770 225 P CB 0.228 31.824 31.700 -0.174 0.000 0.837 226 A N -0.172 122.305 122.820 -0.572 0.000 2.366 226 A HA 0.412 4.734 4.320 0.002 0.000 0.272 226 A C -0.077 177.217 177.584 -0.485 0.000 1.135 226 A CA -0.340 51.431 52.037 -0.444 0.000 0.804 226 A CB -0.256 18.639 19.000 -0.176 0.000 1.064 226 A HN -0.034 nan 8.150 nan 0.000 0.499 227 F N 1.064 121.046 119.950 0.053 0.000 2.639 227 F HA 0.208 4.736 4.527 0.002 0.000 0.302 227 F C 0.873 176.697 175.800 0.040 0.000 1.097 227 F CA 0.022 58.045 58.000 0.038 0.000 1.294 227 F CB -0.082 38.911 39.000 -0.012 0.000 1.027 227 F HN 0.799 nan 8.300 nan 0.000 0.550 228 Y N -0.082 120.252 120.300 0.056 0.000 2.846 228 Y HA 0.365 4.916 4.550 0.002 0.000 0.258 228 Y C 0.493 176.425 175.900 0.054 0.000 1.077 228 Y CA 0.319 58.444 58.100 0.043 0.000 1.270 228 Y CB 0.295 38.774 38.460 0.031 0.000 1.476 228 Y HN -0.137 nan 8.280 nan 0.000 0.460 229 S N -0.223 115.346 115.700 -0.218 0.000 2.556 229 S HA 0.746 5.217 4.470 0.002 0.000 0.271 229 S C -1.097 173.423 174.600 -0.134 0.000 1.135 229 S CA -0.424 57.589 58.200 -0.310 0.000 0.858 229 S CB 2.136 65.169 63.200 -0.278 0.000 1.114 229 S HN 0.091 nan 8.310 nan 0.000 0.468 230 T N 2.181 116.625 114.554 -0.184 0.000 2.886 230 T HA 0.421 4.772 4.350 0.002 0.000 0.292 230 T C 1.213 175.792 174.700 -0.201 0.000 1.012 230 T CA -0.623 61.389 62.100 -0.147 0.000 0.982 230 T CB 1.634 70.431 68.868 -0.120 0.000 1.018 230 T HN 0.528 nan 8.240 nan 0.000 0.451 231 V N 2.721 122.530 119.914 -0.175 0.000 2.255 231 V HA -0.083 4.038 4.120 0.002 0.000 0.247 231 V C 1.310 177.177 176.094 -0.378 0.000 1.051 231 V CA 1.479 63.639 62.300 -0.233 0.000 1.018 231 V CB -0.233 31.495 31.823 -0.159 0.000 0.641 231 V HN 0.726 nan 8.190 nan 0.000 0.445 232 V N 3.077 122.798 119.914 -0.322 0.000 2.154 232 V HA 0.123 4.244 4.120 0.002 0.000 0.265 232 V C 1.365 177.385 176.094 -0.124 0.000 1.293 232 V CA -0.007 62.133 62.300 -0.267 0.000 1.205 232 V CB 0.498 32.203 31.823 -0.196 0.000 1.306 232 V HN 0.625 nan 8.190 nan 0.000 0.479 233 Q N 1.998 121.685 119.800 -0.189 0.000 2.187 233 Q HA -0.040 4.301 4.340 0.002 0.000 0.199 233 Q C 0.209 176.191 176.000 -0.029 0.000 0.957 233 Q CA 1.696 57.430 55.803 -0.115 0.000 0.857 233 Q CB 0.406 29.025 28.738 -0.199 0.000 0.929 233 Q HN 0.779 nan 8.270 nan 0.000 0.453 234 D N -2.093 118.239 120.400 -0.112 0.000 2.759 234 D HA 0.031 4.673 4.640 0.002 0.000 0.321 234 D C 0.851 176.846 176.300 -0.507 0.000 1.267 234 D CA -0.441 53.448 54.000 -0.185 0.000 0.933 234 D CB -0.933 39.807 40.800 -0.099 0.000 1.431 234 D HN 0.139 nan 8.370 nan 0.000 0.504 235 W N 0.589 121.386 121.300 -0.839 0.000 2.465 235 W HA 0.124 4.785 4.660 0.002 0.000 0.268 235 W C 1.037 177.424 176.519 -0.219 0.000 1.242 235 W CA 1.082 58.059 57.345 -0.613 0.000 1.248 235 W CB -1.305 27.938 29.460 -0.362 0.000 1.118 235 W HN 0.444 nan 8.180 nan 0.000 0.587 236 G N 1.576 109.749 108.800 -1.044 0.000 2.404 236 G HA2 -0.250 3.711 3.960 0.002 0.000 0.215 236 G HA3 -0.250 3.711 3.960 0.002 0.000 0.215 236 G C 1.506 176.131 174.900 -0.457 0.000 1.174 236 G CA 2.057 46.573 45.100 -0.974 0.000 0.780 236 G HN 0.288 nan 8.290 nan 0.000 0.537 237 T N 0.958 115.274 114.554 -0.397 0.000 2.821 237 T HA -0.119 4.232 4.350 0.002 0.000 0.267 237 T C 2.341 176.960 174.700 -0.135 0.000 1.046 237 T CA 1.199 63.089 62.100 -0.350 0.000 1.139 237 T CB -0.268 68.280 68.868 -0.534 0.000 0.871 237 T HN 0.223 nan 8.240 nan 0.000 0.454 238 N N 0.556 119.202 118.700 -0.089 0.000 2.104 238 N HA -0.122 4.620 4.740 0.002 0.000 0.190 238 N C 1.571 177.150 175.510 0.114 0.000 1.024 238 N CA 1.210 54.308 53.050 0.081 0.000 0.853 238 N CB -0.462 38.136 38.487 0.185 0.000 1.008 238 N HN 0.486 nan 8.380 nan 0.000 0.424 239 Y N 1.168 121.450 120.300 -0.031 0.000 2.145 239 Y HA -0.062 4.489 4.550 0.002 0.000 0.286 239 Y C 2.175 178.078 175.900 0.006 0.000 1.145 239 Y CA 1.382 59.479 58.100 -0.005 0.000 1.148 239 Y CB -0.485 37.901 38.460 -0.124 0.000 0.981 239 Y HN 0.045 nan 8.280 nan 0.000 0.507 240 L N -0.398 120.785 121.223 -0.066 0.000 2.042 240 L HA -0.280 4.062 4.340 0.002 0.000 0.210 240 L C 2.424 179.277 176.870 -0.027 0.000 1.076 240 L CA 1.662 56.471 54.840 -0.051 0.000 0.749 240 L CB -0.662 41.475 42.059 0.130 0.000 0.893 240 L HN 0.299 nan 8.230 nan 0.000 0.432 241 I N -0.168 120.466 120.570 0.106 0.000 2.090 241 I HA -0.314 3.857 4.170 0.002 0.000 0.236 241 I C 2.854 178.979 176.117 0.013 0.000 1.064 241 I CA 1.367 62.750 61.300 0.139 0.000 1.324 241 I CB -0.553 37.618 38.000 0.286 0.000 1.044 241 I HN 0.200 nan 8.210 nan 0.000 0.399 242 A N 0.027 122.845 122.820 -0.003 0.000 1.917 242 A HA -0.331 3.990 4.320 0.002 0.000 0.219 242 A C 2.224 179.733 177.584 -0.125 0.000 1.182 242 A CA 2.291 54.320 52.037 -0.014 0.000 0.633 242 A CB -0.761 18.260 19.000 0.035 0.000 0.819 242 A HN 0.473 nan 8.150 nan 0.000 0.448 243 Q N -0.536 119.063 119.800 -0.335 0.000 2.124 243 Q HA -0.102 4.239 4.340 0.002 0.000 0.202 243 Q C 2.030 177.916 176.000 -0.190 0.000 0.977 243 Q CA 2.482 58.082 55.803 -0.339 0.000 0.850 243 Q CB -0.821 27.537 28.738 -0.632 0.000 0.901 243 Q HN 0.599 nan 8.270 nan 0.000 0.429 244 T N 0.567 115.016 114.554 -0.174 0.000 2.770 244 T HA -0.026 4.326 4.350 0.002 0.000 0.263 244 T C 1.714 176.296 174.700 -0.196 0.000 1.039 244 T CA 1.197 63.206 62.100 -0.152 0.000 1.142 244 T CB -0.203 68.583 68.868 -0.136 0.000 0.868 244 T HN 0.204 nan 8.240 nan 0.000 0.435 245 L N 0.208 121.310 121.223 -0.202 0.000 2.017 245 L HA 0.188 4.530 4.340 0.002 0.000 0.208 245 L C 1.527 178.022 176.870 -0.625 0.000 1.073 245 L CA 0.985 55.603 54.840 -0.370 0.000 0.745 245 L CB -0.659 41.297 42.059 -0.171 0.000 0.894 245 L HN 0.532 nan 8.230 nan 0.000 0.432 246 G N -2.707 105.934 108.800 -0.265 0.000 2.369 246 G HA2 -0.022 3.939 3.960 0.002 0.000 0.307 246 G HA3 -0.022 3.939 3.960 0.002 0.000 0.307 246 G C -2.600 172.388 174.900 0.146 0.000 1.327 246 G CA -0.531 44.494 45.100 -0.125 0.000 0.963 246 G HN -0.244 nan 8.290 nan 0.000 0.590 247 P HA -0.057 nan 4.420 nan 0.000 0.216 247 P C 1.537 178.941 177.300 0.174 0.000 1.150 247 P CA 1.607 64.805 63.100 0.163 0.000 0.843 247 P CB 0.075 31.856 31.700 0.135 0.000 0.787 248 K N -1.251 119.284 120.400 0.225 0.000 2.459 248 K HA 0.203 4.524 4.320 0.002 0.000 0.193 248 K C 0.681 177.321 176.600 0.067 0.000 1.030 248 K CA -0.048 56.267 56.287 0.046 0.000 1.026 248 K CB 0.086 32.457 32.500 -0.214 0.000 0.809 248 K HN 0.078 nan 8.250 nan 0.000 0.504 249 A N 1.726 124.698 122.820 0.252 0.000 2.274 249 A HA 0.340 4.661 4.320 0.002 0.000 0.309 249 A C -0.528 177.172 177.584 0.192 0.000 1.226 249 A CA -0.418 51.750 52.037 0.218 0.000 0.853 249 A CB 0.581 19.749 19.000 0.280 0.000 1.146 249 A HN 0.108 nan 8.150 nan 0.000 0.518 250 Q N 0.408 120.359 119.800 0.251 0.000 2.553 250 Q HA 0.469 4.810 4.340 0.002 0.000 0.293 250 Q C -1.398 174.784 176.000 0.304 0.000 1.038 250 Q CA -0.835 55.142 55.803 0.289 0.000 0.777 250 Q CB 2.215 31.159 28.738 0.343 0.000 1.487 250 Q HN 0.771 nan 8.270 nan 0.000 0.426 251 C N 1.400 120.816 119.300 0.193 0.000 2.350 251 C HA 0.616 5.077 4.460 0.002 0.000 0.348 251 C C -0.174 174.773 174.990 -0.072 0.000 1.260 251 C CA -0.678 58.425 59.018 0.141 0.000 1.966 251 C CB -0.348 27.521 27.740 0.216 0.000 2.380 251 C HN 0.643 nan 8.230 nan 0.000 0.535 252 L N 3.504 124.656 121.223 -0.118 0.000 2.307 252 L HA 0.675 5.016 4.340 0.002 0.000 0.284 252 L C -0.710 175.947 176.870 -0.354 0.000 1.023 252 L CA -0.073 54.537 54.840 -0.384 0.000 0.810 252 L CB 1.029 42.828 42.059 -0.433 0.000 1.231 252 L HN 0.558 nan 8.230 nan 0.000 0.423 253 V N 4.388 124.033 119.914 -0.448 0.000 2.328 253 V HA 0.285 4.407 4.120 0.002 0.000 0.278 253 V C -0.380 175.561 176.094 -0.256 0.000 1.021 253 V CA -0.581 61.546 62.300 -0.288 0.000 0.838 253 V CB 1.183 32.891 31.823 -0.193 0.000 0.999 253 V HN 0.662 nan 8.190 nan 0.000 0.447 254 D N 4.908 125.082 120.400 -0.376 0.000 2.317 254 D HA 0.205 4.846 4.640 0.002 0.000 0.234 254 D C 1.009 177.221 176.300 -0.147 0.000 1.112 254 D CA -0.560 53.205 54.000 -0.392 0.000 0.840 254 D CB 1.738 41.900 40.800 -1.063 0.000 1.078 254 D HN 0.187 nan 8.370 nan 0.000 0.486 255 L N 3.644 124.891 121.223 0.042 0.000 2.051 255 L HA -0.125 4.217 4.340 0.002 0.000 0.214 255 L C 2.196 179.221 176.870 0.257 0.000 1.076 255 L CA 1.866 56.819 54.840 0.190 0.000 0.758 255 L CB -1.630 40.523 42.059 0.158 0.000 0.890 255 L HN 0.575 nan 8.230 nan 0.000 0.433 256 G N -2.430 106.463 108.800 0.154 0.000 3.124 256 G HA2 -0.097 3.864 3.960 0.002 0.000 0.212 256 G HA3 -0.097 3.864 3.960 0.002 0.000 0.212 256 G C 0.944 175.988 174.900 0.240 0.000 1.181 256 G CA -0.229 44.992 45.100 0.202 0.000 0.803 256 G HN 0.563 nan 8.290 nan 0.000 0.529 257 H N -0.168 118.825 119.070 -0.127 0.000 2.507 257 H HA 0.179 4.736 4.556 0.002 0.000 0.294 257 H C -0.026 175.060 175.328 -0.404 0.000 1.064 257 H CA -0.449 55.407 56.048 -0.319 0.000 1.138 257 H CB 0.399 29.897 29.762 -0.440 0.000 1.515 257 H HN 0.363 nan 8.280 nan 0.000 0.547 258 H N -0.135 119.059 119.070 0.206 0.000 2.710 258 H HA 0.434 4.991 4.556 0.002 0.000 0.361 258 H C 0.077 175.511 175.328 0.177 0.000 1.175 258 H CA -0.839 55.329 56.048 0.200 0.000 1.206 258 H CB 1.593 31.459 29.762 0.174 0.000 1.750 258 H HN 0.221 nan 8.280 nan 0.000 0.553 259 A N 2.172 125.163 122.820 0.284 0.000 2.448 259 A HA 0.211 4.532 4.320 0.002 0.000 0.239 259 A C -2.139 175.553 177.584 0.181 0.000 1.080 259 A CA -0.958 51.205 52.037 0.210 0.000 0.779 259 A CB -0.701 18.391 19.000 0.154 0.000 1.026 259 A HN 0.403 nan 8.150 nan 0.000 0.499 260 P HA 0.071 nan 4.420 nan 0.000 0.264 260 P C 0.003 177.355 177.300 0.087 0.000 1.183 260 P CA 0.506 63.675 63.100 0.114 0.000 0.763 260 P CB 0.222 31.981 31.700 0.098 0.000 0.807 261 N N -1.367 117.375 118.700 0.069 0.000 2.863 261 N HA -0.138 4.603 4.740 0.002 0.000 0.245 261 N C -0.364 175.169 175.510 0.038 0.000 1.001 261 N CA 1.170 54.247 53.050 0.046 0.000 0.901 261 N CB -2.321 36.190 38.487 0.040 0.000 1.124 261 N HN 0.389 nan 8.380 nan 0.000 0.582 262 T N 1.625 116.213 114.554 0.056 0.000 2.946 262 T HA -0.025 4.326 4.350 0.002 0.000 0.311 262 T C 0.802 175.482 174.700 -0.033 0.000 1.063 262 T CA -0.055 62.064 62.100 0.032 0.000 1.139 262 T CB 0.577 69.492 68.868 0.077 0.000 0.994 262 T HN 0.144 nan 8.240 nan 0.000 0.547 263 N N 3.047 121.711 118.700 -0.060 0.000 2.482 263 N HA 0.127 4.868 4.740 0.002 0.000 0.242 263 N C 1.017 176.420 175.510 -0.178 0.000 1.100 263 N CA -0.157 52.834 53.050 -0.098 0.000 0.946 263 N CB 0.040 38.477 38.487 -0.082 0.000 1.227 263 N HN 0.552 nan 8.380 nan 0.000 0.508 264 I N 1.900 122.343 120.570 -0.211 0.000 2.286 264 I HA -0.227 3.944 4.170 0.002 0.000 0.245 264 I C 2.210 178.189 176.117 -0.230 0.000 1.104 264 I CA 0.750 61.862 61.300 -0.315 0.000 1.397 264 I CB -0.027 37.787 38.000 -0.310 0.000 1.072 264 I HN 0.534 nan 8.210 nan 0.000 0.417 265 E N 1.510 121.609 120.200 -0.168 0.000 2.267 265 E HA -0.301 4.050 4.350 0.002 0.000 0.197 265 E C 2.060 178.564 176.600 -0.160 0.000 0.998 265 E CA 1.390 57.704 56.400 -0.143 0.000 0.830 265 E CB -0.633 28.975 29.700 -0.153 0.000 0.751 265 E HN 0.587 nan 8.360 nan 0.000 0.491 266 M N 0.704 120.188 119.600 -0.193 0.000 2.200 266 M HA -0.017 4.464 4.480 0.002 0.000 0.265 266 M C 2.227 178.321 176.300 -0.344 0.000 1.066 266 M CA 1.084 56.257 55.300 -0.212 0.000 1.127 266 M CB -0.005 32.488 32.600 -0.180 0.000 1.379 266 M HN 0.005 nan 8.290 nan 0.000 0.420 267 I N -0.210 120.073 120.570 -0.478 0.000 2.226 267 I HA -0.267 3.904 4.170 0.002 0.000 0.245 267 I C 2.209 178.032 176.117 -0.490 0.000 1.100 267 I CA 1.003 61.817 61.300 -0.810 0.000 1.374 267 I CB -0.450 37.076 38.000 -0.790 0.000 1.057 267 I HN 0.155 nan 8.210 nan 0.000 0.413 268 V N 1.108 120.878 119.914 -0.240 0.000 2.287 268 V HA -0.327 3.794 4.120 0.002 0.000 0.248 268 V C 2.749 178.810 176.094 -0.055 0.000 1.053 268 V CA 2.096 64.355 62.300 -0.069 0.000 1.027 268 V CB -1.058 30.831 31.823 0.110 0.000 0.646 268 V HN 0.509 nan 8.190 nan 0.000 0.447 269 A N -0.123 122.642 122.820 -0.093 0.000 1.883 269 A HA -0.218 4.103 4.320 0.002 0.000 0.217 269 A C 2.366 179.925 177.584 -0.042 0.000 1.186 269 A CA 1.661 53.660 52.037 -0.063 0.000 0.624 269 A CB -0.492 18.459 19.000 -0.082 0.000 0.822 269 A HN 0.419 nan 8.150 nan 0.000 0.444 270 R N -0.446 119.980 120.500 -0.123 0.000 2.081 270 R HA -0.067 4.274 4.340 0.002 0.000 0.235 270 R C 2.112 178.486 176.300 0.123 0.000 1.131 270 R CA 1.352 57.433 56.100 -0.032 0.000 0.960 270 R CB -0.972 29.134 30.300 -0.323 0.000 0.856 270 R HN 0.594 nan 8.270 nan 0.000 0.436 271 L N 0.308 121.545 121.223 0.023 0.000 2.093 271 L HA -0.133 4.208 4.340 0.002 0.000 0.208 271 L C 2.466 179.459 176.870 0.206 0.000 1.085 271 L CA 1.038 55.980 54.840 0.169 0.000 0.755 271 L CB -0.371 41.744 42.059 0.094 0.000 0.904 271 L HN 0.115 nan 8.230 nan 0.000 0.435 272 I N -0.550 120.110 120.570 0.150 0.000 2.202 272 I HA -0.323 3.848 4.170 0.002 0.000 0.242 272 I C 2.708 178.893 176.117 0.114 0.000 1.091 272 I CA 1.278 62.683 61.300 0.175 0.000 1.368 272 I CB -0.326 37.748 38.000 0.123 0.000 1.058 272 I HN 0.375 nan 8.210 nan 0.000 0.410 273 Q N 0.982 120.828 119.800 0.077 0.000 2.152 273 Q HA -0.219 4.122 4.340 0.002 0.000 0.206 273 Q C 1.478 177.375 176.000 -0.171 0.000 0.985 273 Q CA 1.959 57.732 55.803 -0.050 0.000 0.863 273 Q CB -0.034 28.686 28.738 -0.030 0.000 0.904 273 Q HN 0.479 nan 8.270 nan 0.000 0.422 274 F N -0.728 119.268 119.950 0.077 0.000 2.639 274 F HA 0.321 4.849 4.527 0.002 0.000 0.300 274 F C 1.198 177.111 175.800 0.190 0.000 1.109 274 F CA 0.294 58.372 58.000 0.130 0.000 1.335 274 F CB 0.798 39.867 39.000 0.115 0.000 1.014 274 F HN 0.215 nan 8.300 nan 0.000 0.537 275 G N 0.816 109.765 108.800 0.249 0.000 2.258 275 G HA2 -0.323 3.638 3.960 0.002 0.000 0.274 275 G HA3 -0.323 3.638 3.960 0.002 0.000 0.274 275 G C 0.961 176.008 174.900 0.246 0.000 1.021 275 G CA 0.202 45.436 45.100 0.224 0.000 0.798 275 G HN 0.238 nan 8.290 nan 0.000 0.507 276 K N -0.822 119.752 120.400 0.289 0.000 2.537 276 K HA 0.284 4.605 4.320 0.002 0.000 0.206 276 K C 0.498 177.204 176.600 0.176 0.000 1.041 276 K CA -0.559 55.886 56.287 0.264 0.000 1.090 276 K CB 0.626 33.354 32.500 0.379 0.000 0.833 276 K HN 0.390 nan 8.250 nan 0.000 0.493 277 L N 1.117 122.404 121.223 0.107 0.000 2.356 277 L HA 0.278 4.619 4.340 0.002 0.000 0.282 277 L C 1.171 177.939 176.870 -0.171 0.000 1.132 277 L CA 0.162 54.968 54.840 -0.056 0.000 0.923 277 L CB 0.599 42.636 42.059 -0.036 0.000 1.278 277 L HN 0.228 nan 8.230 nan 0.000 0.436 278 G N 2.951 111.618 108.800 -0.223 0.000 2.414 278 G HA2 0.349 4.310 3.960 0.002 0.000 0.215 278 G HA3 0.349 4.310 3.960 0.002 0.000 0.215 278 G C 0.568 174.942 174.900 -0.876 0.000 1.188 278 G CA 0.713 45.572 45.100 -0.402 0.000 0.783 278 G HN 0.925 nan 8.290 nan 0.000 0.537 279 G N -2.076 106.163 108.800 -0.934 0.000 2.427 279 G HA2 0.484 4.445 3.960 0.002 0.000 0.306 279 G HA3 0.484 4.445 3.960 0.002 0.000 0.306 279 G C -1.911 172.477 174.900 -0.852 0.000 1.280 279 G CA -0.973 43.639 45.100 -0.814 0.000 0.837 279 G HN 0.059 nan 8.290 nan 0.000 0.482 280 F N -0.500 119.219 119.950 -0.387 0.000 2.593 280 F HA 0.615 5.143 4.527 0.002 0.000 0.320 280 F C 0.065 175.683 175.800 -0.304 0.000 1.060 280 F CA -0.545 57.167 58.000 -0.479 0.000 0.940 280 F CB 2.634 41.097 39.000 -0.895 0.000 1.268 280 F HN 0.364 nan 8.300 nan 0.000 0.475 281 H N 2.172 121.080 119.070 -0.271 0.000 2.866 281 H HA 0.308 4.865 4.556 0.002 0.000 0.287 281 H C -1.144 174.078 175.328 -0.177 0.000 1.106 281 H CA -0.712 55.233 56.048 -0.171 0.000 1.396 281 H CB 0.829 30.482 29.762 -0.182 0.000 1.469 281 H HN 0.319 nan 8.280 nan 0.000 0.500 282 F N 3.086 123.139 119.950 0.171 0.000 2.429 282 F HA 0.135 4.663 4.527 0.002 0.000 0.348 282 F C 0.675 176.515 175.800 0.068 0.000 1.109 282 F CA -0.017 58.047 58.000 0.105 0.000 1.232 282 F CB 0.816 39.875 39.000 0.097 0.000 1.157 282 F HN 0.710 nan 8.300 nan 0.000 0.564 283 N N -0.670 118.205 118.700 0.291 0.000 4.016 283 N HA 0.252 4.993 4.740 0.002 0.000 0.227 283 N C -2.272 173.341 175.510 0.171 0.000 1.337 283 N CA -0.985 52.176 53.050 0.185 0.000 0.817 283 N CB 0.771 39.337 38.487 0.132 0.000 1.469 283 N HN 0.313 nan 8.380 nan 0.000 0.448 284 D N -1.476 119.008 120.400 0.140 0.000 2.493 284 D HA 0.832 5.473 4.640 0.002 0.000 0.239 284 D C -1.153 175.216 176.300 0.115 0.000 1.049 284 D CA -0.028 54.046 54.000 0.124 0.000 1.008 284 D CB 2.088 42.954 40.800 0.109 0.000 1.398 284 D HN 0.826 nan 8.370 nan 0.000 0.513 285 S N -0.110 115.647 115.700 0.096 0.000 2.615 285 S HA 0.416 4.887 4.470 0.002 0.000 0.268 285 S C -0.036 174.572 174.600 0.014 0.000 1.146 285 S CA -0.779 57.473 58.200 0.087 0.000 0.818 285 S CB 2.452 65.722 63.200 0.117 0.000 1.111 285 S HN 0.465 nan 8.310 nan 0.000 0.465 286 K N -1.098 119.264 120.400 -0.063 0.000 2.550 286 K HA 0.331 4.652 4.320 0.002 0.000 0.205 286 K C 0.129 176.441 176.600 -0.480 0.000 1.429 286 K CA 0.000 56.089 56.287 -0.330 0.000 0.997 286 K CB 0.187 32.347 32.500 -0.567 0.000 1.328 286 K HN 0.666 nan 8.250 nan 0.000 0.546 287 Y N -0.614 119.751 120.300 0.107 0.000 2.583 287 Y HA 0.399 4.951 4.550 0.002 0.000 0.270 287 Y C 1.519 177.514 175.900 0.158 0.000 1.113 287 Y CA 0.333 58.504 58.100 0.118 0.000 1.307 287 Y CB 0.108 38.632 38.460 0.107 0.000 1.369 287 Y HN 0.088 nan 8.280 nan 0.000 0.506 288 G N -0.949 108.051 108.800 0.333 0.000 3.291 288 G HA2 0.167 4.129 3.960 0.002 0.000 0.173 288 G HA3 0.167 4.129 3.960 0.002 0.000 0.173 288 G C -1.175 173.814 174.900 0.150 0.000 1.099 288 G CA -0.213 45.051 45.100 0.274 0.000 0.794 288 G HN -0.001 nan 8.290 nan 0.000 0.651 289 D N 0.653 121.077 120.400 0.041 0.000 2.845 289 D HA 0.211 4.852 4.640 0.002 0.000 0.235 289 D C 0.577 176.928 176.300 0.085 0.000 1.158 289 D CA -0.339 53.680 54.000 0.032 0.000 0.990 289 D CB -0.097 40.623 40.800 -0.134 0.000 1.094 289 D HN 0.135 nan 8.370 nan 0.000 0.486 290 D N 0.823 121.305 120.400 0.136 0.000 2.263 290 D HA -0.153 4.488 4.640 0.002 0.000 0.208 290 D C 0.319 176.709 176.300 0.150 0.000 0.971 290 D CA 0.550 54.642 54.000 0.153 0.000 0.867 290 D CB -0.035 40.876 40.800 0.186 0.000 0.929 290 D HN 0.408 nan 8.370 nan 0.000 0.492 291 D N -0.087 120.405 120.400 0.154 0.000 2.708 291 D HA -0.184 4.458 4.640 0.002 0.000 0.236 291 D C 0.067 176.441 176.300 0.122 0.000 1.146 291 D CA 0.397 54.496 54.000 0.166 0.000 0.662 291 D CB -1.215 39.760 40.800 0.291 0.000 1.059 291 D HN 0.333 nan 8.370 nan 0.000 0.428 292 L N 0.012 121.309 121.223 0.124 0.000 2.468 292 L HA 0.219 4.560 4.340 0.002 0.000 0.254 292 L C 0.948 177.892 176.870 0.123 0.000 1.171 292 L CA -0.689 54.224 54.840 0.121 0.000 0.809 292 L CB 0.405 42.540 42.059 0.126 0.000 1.155 292 L HN -0.198 nan 8.230 nan 0.000 0.473 293 D N 1.303 121.789 120.400 0.144 0.000 2.487 293 D HA 0.203 4.844 4.640 0.002 0.000 0.243 293 D C 0.176 176.543 176.300 0.112 0.000 1.154 293 D CA 0.236 54.322 54.000 0.143 0.000 0.876 293 D CB 0.640 41.517 40.800 0.127 0.000 1.161 293 D HN 0.589 nan 8.370 nan 0.000 0.478 294 A N 2.352 125.238 122.820 0.111 0.000 2.584 294 A HA 0.396 4.717 4.320 0.002 0.000 0.239 294 A C 1.714 179.342 177.584 0.073 0.000 1.043 294 A CA 0.526 52.625 52.037 0.103 0.000 0.756 294 A CB -0.401 18.648 19.000 0.081 0.000 0.963 294 A HN 1.015 nan 8.150 nan 0.000 0.511 295 G N 1.057 109.910 108.800 0.088 0.000 2.189 295 G HA2 -0.094 3.867 3.960 0.002 0.000 0.267 295 G HA3 -0.094 3.867 3.960 0.002 0.000 0.267 295 G C 1.167 176.114 174.900 0.078 0.000 0.975 295 G CA 1.253 46.404 45.100 0.085 0.000 0.644 295 G HN 2.096 nan 8.290 nan 0.000 0.537 296 A N -0.533 122.332 122.820 0.075 0.000 2.066 296 A HA 0.410 4.731 4.320 0.002 0.000 0.218 296 A C 2.201 179.825 177.584 0.067 0.000 1.157 296 A CA 1.862 53.940 52.037 0.068 0.000 0.670 296 A CB -0.154 18.890 19.000 0.073 0.000 0.804 296 A HN 0.528 nan 8.150 nan 0.000 0.453 297 I N -1.539 119.073 120.570 0.070 0.000 3.194 297 I HA 0.144 4.315 4.170 0.002 0.000 0.271 297 I C 0.269 176.422 176.117 0.060 0.000 1.150 297 I CA 0.745 62.078 61.300 0.056 0.000 1.440 297 I CB -0.694 37.332 38.000 0.043 0.000 1.276 297 I HN 0.224 nan 8.210 nan 0.000 0.457 298 E N 2.379 122.624 120.200 0.076 0.000 2.873 298 E HA 0.191 4.542 4.350 0.002 0.000 0.232 298 E C -1.824 174.850 176.600 0.123 0.000 1.123 298 E CA -1.382 55.071 56.400 0.089 0.000 0.809 298 E CB 1.852 31.593 29.700 0.068 0.000 1.366 298 E HN 0.115 nan 8.360 nan 0.000 0.400 299 P HA -0.204 nan 4.420 nan 0.000 0.218 299 P C 1.196 178.664 177.300 0.281 0.000 1.149 299 P CA 0.939 64.176 63.100 0.227 0.000 0.817 299 P CB 0.266 32.121 31.700 0.259 0.000 0.785 300 Y N 1.911 122.199 120.300 -0.019 0.000 2.200 300 Y HA -0.099 4.452 4.550 0.002 0.000 0.290 300 Y C 2.892 178.750 175.900 -0.069 0.000 1.137 300 Y CA 1.187 59.081 58.100 -0.343 0.000 1.163 300 Y CB -0.890 37.280 38.460 -0.483 0.000 0.988 300 Y HN -0.223 nan 8.280 nan 0.000 0.518 301 R N -0.283 120.208 120.500 -0.015 0.000 2.091 301 R HA -0.202 4.139 4.340 0.002 0.000 0.238 301 R C 2.181 178.459 176.300 -0.036 0.000 1.136 301 R CA 1.770 57.825 56.100 -0.073 0.000 0.959 301 R CB -0.664 29.634 30.300 -0.004 0.000 0.856 301 R HN 0.420 nan 8.270 nan 0.000 0.437 302 L N 0.406 121.669 121.223 0.067 0.000 2.046 302 L HA -0.121 4.220 4.340 0.002 0.000 0.208 302 L C 2.011 178.983 176.870 0.169 0.000 1.077 302 L CA 1.692 56.609 54.840 0.128 0.000 0.747 302 L CB -0.765 41.388 42.059 0.157 0.000 0.896 302 L HN 0.268 nan 8.230 nan 0.000 0.432 303 F N -0.389 119.574 119.950 0.021 0.000 2.134 303 F HA -0.204 4.324 4.527 0.002 0.000 0.299 303 F C 2.000 177.757 175.800 -0.071 0.000 1.097 303 F CA 1.730 59.746 58.000 0.026 0.000 1.264 303 F CB -0.363 38.666 39.000 0.049 0.000 1.001 303 F HN 0.050 nan 8.300 nan 0.000 0.479 304 L N -0.534 120.460 121.223 -0.382 0.000 2.131 304 L HA -0.193 4.148 4.340 0.002 0.000 0.210 304 L C 2.377 179.043 176.870 -0.339 0.000 1.092 304 L CA 0.810 55.359 54.840 -0.484 0.000 0.759 304 L CB -0.808 40.996 42.059 -0.424 0.000 0.903 304 L HN 0.075 nan 8.230 nan 0.000 0.435 305 V N -0.789 118.985 119.914 -0.233 0.000 2.358 305 V HA -0.256 3.865 4.120 0.002 0.000 0.246 305 V C 2.186 178.101 176.094 -0.297 0.000 1.047 305 V CA 1.739 63.901 62.300 -0.230 0.000 1.035 305 V CB -0.495 31.189 31.823 -0.232 0.000 0.658 305 V HN 0.225 nan 8.190 nan 0.000 0.452 306 F N 0.867 120.665 119.950 -0.255 0.000 2.293 306 F HA -0.103 4.425 4.527 0.002 0.000 0.300 306 F C 2.247 177.891 175.800 -0.261 0.000 1.086 306 F CA 1.617 59.489 58.000 -0.214 0.000 1.375 306 F CB -0.536 38.329 39.000 -0.224 0.000 1.045 306 F HN 0.249 nan 8.300 nan 0.000 0.516 307 N N 0.267 118.774 118.700 -0.322 0.000 2.166 307 N HA -0.177 4.564 4.740 0.002 0.000 0.186 307 N C 1.729 177.135 175.510 -0.172 0.000 1.019 307 N CA 1.422 54.256 53.050 -0.359 0.000 0.856 307 N CB -0.080 38.071 38.487 -0.561 0.000 0.993 307 N HN 0.060 nan 8.380 nan 0.000 0.426 308 E N 0.322 120.433 120.200 -0.149 0.000 2.106 308 E HA -0.077 4.274 4.350 0.002 0.000 0.192 308 E C 2.106 178.692 176.600 -0.023 0.000 0.984 308 E CA 0.552 56.902 56.400 -0.084 0.000 0.806 308 E CB -0.305 29.356 29.700 -0.066 0.000 0.750 308 E HN 0.478 nan 8.360 nan 0.000 0.458 309 L N 0.304 121.554 121.223 0.045 0.000 2.017 309 L HA -0.146 4.196 4.340 0.002 0.000 0.208 309 L C 2.541 179.522 176.870 0.185 0.000 1.073 309 L CA 0.840 55.811 54.840 0.217 0.000 0.745 309 L CB -0.609 41.605 42.059 0.259 0.000 0.894 309 L HN -0.020 nan 8.230 nan 0.000 0.432 310 V N -0.028 119.978 119.914 0.154 0.000 2.427 310 V HA -0.299 3.823 4.120 0.002 0.000 0.248 310 V C 2.344 178.444 176.094 0.011 0.000 1.051 310 V CA 2.023 64.394 62.300 0.119 0.000 1.048 310 V CB -0.563 31.290 31.823 0.050 0.000 0.666 310 V HN 0.574 nan 8.190 nan 0.000 0.456 311 D N 0.486 120.860 120.400 -0.042 0.000 2.117 311 D HA -0.170 4.471 4.640 0.002 0.000 0.197 311 D C 2.139 178.362 176.300 -0.127 0.000 0.987 311 D CA 1.612 55.567 54.000 -0.075 0.000 0.829 311 D CB 0.244 40.995 40.800 -0.081 0.000 0.961 311 D HN 0.406 nan 8.370 nan 0.000 0.460 312 A N 1.130 123.822 122.820 -0.214 0.000 1.902 312 A HA -0.194 4.127 4.320 0.002 0.000 0.217 312 A C 2.174 179.527 177.584 -0.385 0.000 1.181 312 A CA 1.713 53.497 52.037 -0.421 0.000 0.623 312 A CB -0.637 17.855 19.000 -0.848 0.000 0.818 312 A HN 0.443 nan 8.150 nan 0.000 0.443 313 E N 0.098 120.163 120.200 -0.225 0.000 2.051 313 E HA -0.131 4.220 4.350 0.002 0.000 0.192 313 E C 2.105 178.691 176.600 -0.023 0.000 0.991 313 E CA 1.072 57.450 56.400 -0.038 0.000 0.799 313 E CB -0.294 29.498 29.700 0.153 0.000 0.748 313 E HN 0.488 nan 8.360 nan 0.000 0.449 314 A N 1.865 124.670 122.820 -0.026 0.000 2.024 314 A HA -0.184 4.137 4.320 0.002 0.000 0.220 314 A C 1.901 179.463 177.584 -0.036 0.000 1.164 314 A CA 1.567 53.592 52.037 -0.020 0.000 0.643 314 A CB -0.501 18.485 19.000 -0.024 0.000 0.806 314 A HN 0.385 nan 8.150 nan 0.000 0.451 315 R N -0.650 119.809 120.500 -0.068 0.000 2.935 315 R HA 0.408 4.749 4.340 0.002 0.000 0.354 315 R C 0.513 176.770 176.300 -0.072 0.000 1.206 315 R CA 0.005 56.065 56.100 -0.065 0.000 1.082 315 R CB -0.964 29.290 30.300 -0.076 0.000 1.431 315 R HN 0.366 nan 8.270 nan 0.000 0.582 316 G N 1.278 110.046 108.800 -0.053 0.000 2.580 316 G HA2 -0.234 3.727 3.960 0.002 0.000 0.289 316 G HA3 -0.234 3.727 3.960 0.002 0.000 0.289 316 G C -0.278 174.590 174.900 -0.053 0.000 0.118 316 G CA 0.533 45.610 45.100 -0.037 0.000 1.158 316 G HN 0.370 nan 8.290 nan 0.000 0.544 317 V N 3.856 123.726 119.914 -0.074 0.000 2.769 317 V HA 0.691 4.812 4.120 0.002 0.000 0.312 317 V C 0.805 176.928 176.094 0.048 0.000 1.061 317 V CA -0.768 61.499 62.300 -0.056 0.000 0.931 317 V CB 1.534 33.253 31.823 -0.173 0.000 1.010 317 V HN 1.218 nan 8.190 nan 0.000 0.433 318 K N 4.791 125.228 120.400 0.062 0.000 3.538 318 K HA -0.133 4.188 4.320 0.002 0.000 0.251 318 K C 0.917 177.593 176.600 0.127 0.000 1.061 318 K CA 1.026 57.367 56.287 0.090 0.000 1.095 318 K CB -1.744 30.806 32.500 0.083 0.000 1.448 318 K HN 1.751 nan 8.250 nan 0.000 0.483 319 G N 2.881 111.746 108.800 0.107 0.000 2.429 319 G HA2 -0.370 3.591 3.960 0.002 0.000 0.314 319 G HA3 -0.370 3.591 3.960 0.002 0.000 0.314 319 G C 0.040 174.988 174.900 0.080 0.000 0.957 319 G CA 0.410 45.587 45.100 0.127 0.000 0.806 319 G HN 0.822 nan 8.290 nan 0.000 0.511 320 F N 1.830 121.701 119.950 -0.132 0.000 2.392 320 F HA 0.140 4.668 4.527 0.002 0.000 0.385 320 F C 0.617 176.191 175.800 -0.377 0.000 1.032 320 F CA 0.488 58.391 58.000 -0.161 0.000 1.008 320 F CB 0.172 39.103 39.000 -0.115 0.000 0.915 320 F HN 0.291 nan 8.300 nan 0.000 0.532 321 H N 6.682 125.534 119.070 -0.364 0.000 2.562 321 H HA 0.200 4.757 4.556 0.002 0.000 0.230 321 H C -2.235 172.837 175.328 -0.428 0.000 1.415 321 H CA -1.242 54.605 56.048 -0.336 0.000 1.454 321 H CB 0.284 29.974 29.762 -0.122 0.000 1.716 321 H HN 0.481 nan 8.280 nan 0.000 0.538 322 P HA 0.194 nan 4.420 nan 0.000 0.269 322 P C -0.014 176.961 177.300 -0.542 0.000 1.209 322 P CA -0.375 62.408 63.100 -0.528 0.000 0.776 322 P CB 1.283 32.647 31.700 -0.560 0.000 0.876 323 A N 2.948 125.511 122.820 -0.429 0.000 2.362 323 A HA 0.249 4.570 4.320 0.002 0.000 0.276 323 A C -0.276 177.155 177.584 -0.255 0.000 1.153 323 A CA -0.334 51.523 52.037 -0.301 0.000 0.813 323 A CB -0.532 18.381 19.000 -0.144 0.000 1.081 323 A HN 0.664 nan 8.150 nan 0.000 0.507 324 H N 1.588 120.702 119.070 0.072 0.000 2.519 324 H HA 0.586 5.143 4.556 0.002 0.000 0.316 324 H C -0.289 175.166 175.328 0.211 0.000 1.065 324 H CA -0.144 56.047 56.048 0.239 0.000 1.264 324 H CB 1.227 31.182 29.762 0.320 0.000 1.413 324 H HN 0.686 nan 8.280 nan 0.000 0.465 325 M N 3.125 122.942 119.600 0.362 0.000 2.484 325 M HA 0.401 4.882 4.480 0.002 0.000 0.289 325 M C -0.994 175.448 176.300 0.236 0.000 1.206 325 M CA -0.594 54.846 55.300 0.233 0.000 0.892 325 M CB 2.850 35.549 32.600 0.165 0.000 1.712 325 M HN 0.383 nan 8.290 nan 0.000 0.462 326 I N 1.433 122.069 120.570 0.110 0.000 2.353 326 I HA 0.264 4.435 4.170 0.002 0.000 0.293 326 I C -0.627 175.412 176.117 -0.130 0.000 0.992 326 I CA -0.135 61.211 61.300 0.078 0.000 1.268 326 I CB 1.042 39.068 38.000 0.043 0.000 1.387 326 I HN 0.573 nan 8.210 nan 0.000 0.478 327 D N 7.077 127.417 120.400 -0.100 0.000 2.408 327 D HA 0.356 4.997 4.640 0.002 0.000 0.261 327 D C -0.917 175.360 176.300 -0.038 0.000 1.190 327 D CA -0.214 53.717 54.000 -0.116 0.000 0.910 327 D CB 0.776 41.425 40.800 -0.252 0.000 1.097 327 D HN 0.499 nan 8.370 nan 0.000 0.522 328 Q N 1.394 121.093 119.800 -0.168 0.000 2.495 328 Q HA 0.572 4.913 4.340 0.002 0.000 0.287 328 Q C -1.119 174.515 176.000 -0.610 0.000 1.078 328 Q CA -0.895 54.769 55.803 -0.231 0.000 0.793 328 Q CB 2.428 31.074 28.738 -0.154 0.000 1.459 328 Q HN 0.262 nan 8.270 nan 0.000 0.422 329 F N 0.267 120.007 119.950 -0.350 0.000 2.540 329 F HA 0.395 4.923 4.527 0.002 0.000 0.317 329 F C -0.702 174.784 175.800 -0.523 0.000 1.104 329 F CA -0.651 57.157 58.000 -0.320 0.000 0.913 329 F CB 1.727 40.696 39.000 -0.051 0.000 1.170 329 F HN 0.490 nan 8.300 nan 0.000 0.450 330 H N 2.334 121.549 119.070 0.242 0.000 2.685 330 H HA 0.359 4.916 4.556 0.002 0.000 0.307 330 H C 0.011 175.448 175.328 0.182 0.000 1.017 330 H CA -0.647 55.501 56.048 0.167 0.000 1.237 330 H CB 0.569 30.387 29.762 0.094 0.000 1.409 330 H HN 0.430 nan 8.280 nan 0.000 0.488 331 N N 1.987 120.829 118.700 0.238 0.000 2.356 331 N HA -0.034 4.707 4.740 0.002 0.000 0.178 331 N C 0.918 176.558 175.510 0.216 0.000 1.075 331 N CA 0.605 53.792 53.050 0.229 0.000 0.889 331 N CB 1.106 39.721 38.487 0.214 0.000 0.999 331 N HN 0.484 nan 8.380 nan 0.000 0.464 332 V N -2.222 117.799 119.914 0.178 0.000 3.111 332 V HA 0.423 4.544 4.120 0.002 0.000 0.343 332 V C 0.123 176.282 176.094 0.109 0.000 1.417 332 V CA -0.223 62.151 62.300 0.123 0.000 1.142 332 V CB -0.147 31.728 31.823 0.086 0.000 1.114 332 V HN 0.152 nan 8.190 nan 0.000 0.520 333 T N -3.788 110.846 114.554 0.133 0.000 2.812 333 T HA 0.460 4.811 4.350 0.002 0.000 0.294 333 T C -1.251 173.501 174.700 0.088 0.000 1.159 333 T CA -0.312 61.846 62.100 0.097 0.000 1.008 333 T CB 2.065 70.982 68.868 0.081 0.000 1.289 333 T HN 0.154 nan 8.240 nan 0.000 0.514 334 D N 1.313 121.745 120.400 0.053 0.000 2.339 334 D HA 0.257 4.898 4.640 0.002 0.000 0.256 334 D C -1.520 174.738 176.300 -0.070 0.000 1.214 334 D CA -1.938 52.090 54.000 0.047 0.000 0.877 334 D CB 1.375 42.234 40.800 0.099 0.000 1.111 334 D HN 0.111 nan 8.370 nan 0.000 0.478 335 P HA -0.175 nan 4.420 nan 0.000 0.218 335 P C 1.626 178.699 177.300 -0.377 0.000 1.154 335 P CA 1.181 64.142 63.100 -0.233 0.000 0.872 335 P CB 0.236 31.934 31.700 -0.002 0.000 0.790 336 I N -0.732 119.679 120.570 -0.264 0.000 2.252 336 I HA -0.227 3.944 4.170 0.002 0.000 0.245 336 I C 2.294 178.119 176.117 -0.487 0.000 1.102 336 I CA 1.516 62.587 61.300 -0.381 0.000 1.385 336 I CB -0.675 37.052 38.000 -0.455 0.000 1.064 336 I HN 0.026 nan 8.210 nan 0.000 0.414 337 E N 0.500 120.417 120.200 -0.472 0.000 2.051 337 E HA -0.171 4.180 4.350 0.002 0.000 0.192 337 E C 2.363 178.813 176.600 -0.250 0.000 0.991 337 E CA 1.502 57.691 56.400 -0.352 0.000 0.799 337 E CB -0.132 29.461 29.700 -0.179 0.000 0.748 337 E HN 0.330 nan 8.360 nan 0.000 0.449 338 S N 1.053 116.588 115.700 -0.275 0.000 2.368 338 S HA -0.112 4.359 4.470 0.002 0.000 0.225 338 S C 2.039 176.496 174.600 -0.239 0.000 1.030 338 S CA 0.798 58.855 58.200 -0.238 0.000 0.999 338 S CB -0.185 62.833 63.200 -0.303 0.000 0.844 338 S HN 0.176 nan 8.310 nan 0.000 0.459 339 L N 0.816 121.820 121.223 -0.364 0.000 2.083 339 L HA -0.096 4.245 4.340 0.002 0.000 0.209 339 L C 2.135 178.915 176.870 -0.151 0.000 1.083 339 L CA 0.992 55.705 54.840 -0.212 0.000 0.752 339 L CB -0.480 41.442 42.059 -0.229 0.000 0.899 339 L HN 0.328 nan 8.230 nan 0.000 0.433 340 I N -0.098 120.358 120.570 -0.189 0.000 2.142 340 I HA -0.299 3.872 4.170 0.002 0.000 0.240 340 I C 2.037 178.096 176.117 -0.097 0.000 1.078 340 I CA 1.263 62.475 61.300 -0.147 0.000 1.343 340 I CB -0.324 37.564 38.000 -0.186 0.000 1.046 340 I HN 0.335 nan 8.210 nan 0.000 0.405 341 N N 0.269 118.914 118.700 -0.091 0.000 2.396 341 N HA -0.081 4.660 4.740 0.002 0.000 0.180 341 N C 1.931 177.416 175.510 -0.043 0.000 1.028 341 N CA 0.897 53.912 53.050 -0.057 0.000 0.893 341 N CB -0.103 38.358 38.487 -0.043 0.000 0.967 341 N HN 0.184 nan 8.380 nan 0.000 0.440 342 S N 0.428 116.106 115.700 -0.036 0.000 2.371 342 S HA 0.046 4.517 4.470 0.002 0.000 0.224 342 S C 2.045 176.623 174.600 -0.036 0.000 1.029 342 S CA 0.850 59.044 58.200 -0.010 0.000 0.978 342 S CB -0.144 63.077 63.200 0.034 0.000 0.833 342 S HN 0.463 nan 8.310 nan 0.000 0.466 343 A N 2.246 125.044 122.820 -0.037 0.000 1.933 343 A HA -0.133 4.188 4.320 0.002 0.000 0.218 343 A C 1.835 179.385 177.584 -0.057 0.000 1.175 343 A CA 1.520 53.540 52.037 -0.030 0.000 0.628 343 A CB -0.802 18.189 19.000 -0.014 0.000 0.814 343 A HN 0.605 nan 8.150 nan 0.000 0.444 344 N N -0.577 118.087 118.700 -0.060 0.000 2.120 344 N HA -0.151 4.590 4.740 0.002 0.000 0.188 344 N C 1.624 177.069 175.510 -0.108 0.000 1.024 344 N CA 1.127 54.134 53.050 -0.071 0.000 0.852 344 N CB -0.119 38.334 38.487 -0.056 0.000 1.003 344 N HN 0.367 nan 8.380 nan 0.000 0.424 345 E N 1.083 121.224 120.200 -0.098 0.000 2.110 345 E HA -0.115 4.236 4.350 0.002 0.000 0.193 345 E C 2.030 178.506 176.600 -0.206 0.000 0.988 345 E CA 0.650 56.984 56.400 -0.110 0.000 0.804 345 E CB -0.126 29.541 29.700 -0.055 0.000 0.745 345 E HN 0.479 nan 8.360 nan 0.000 0.458 346 I N 0.353 120.765 120.570 -0.263 0.000 2.252 346 I HA -0.245 3.926 4.170 0.002 0.000 0.245 346 I C 2.567 178.245 176.117 -0.732 0.000 1.102 346 I CA 0.982 61.994 61.300 -0.480 0.000 1.385 346 I CB -0.189 37.572 38.000 -0.397 0.000 1.064 346 I HN -0.019 nan 8.210 nan 0.000 0.414 347 R N 0.158 120.376 120.500 -0.471 0.000 2.115 347 R HA -0.117 4.224 4.340 0.002 0.000 0.230 347 R C 2.430 178.503 176.300 -0.378 0.000 1.111 347 R CA 0.815 56.635 56.100 -0.466 0.000 0.976 347 R CB -0.215 29.970 30.300 -0.192 0.000 0.870 347 R HN 0.306 nan 8.270 nan 0.000 0.445 348 R N 0.503 120.826 120.500 -0.294 0.000 2.073 348 R HA -0.106 4.235 4.340 0.002 0.000 0.234 348 R C 2.077 178.242 176.300 -0.225 0.000 1.134 348 R CA 1.596 57.570 56.100 -0.209 0.000 0.952 348 R CB -0.198 30.017 30.300 -0.142 0.000 0.850 348 R HN 0.181 nan 8.270 nan 0.000 0.433 349 A N -0.010 122.629 122.820 -0.303 0.000 1.930 349 A HA -0.209 4.112 4.320 0.002 0.000 0.217 349 A C 1.986 179.313 177.584 -0.428 0.000 1.175 349 A CA 1.257 53.174 52.037 -0.200 0.000 0.627 349 A CB -0.812 18.088 19.000 -0.167 0.000 0.815 349 A HN 0.614 nan 8.150 nan 0.000 0.443 350 Y N 0.757 120.365 120.300 -1.153 0.000 2.114 350 Y HA -0.086 4.465 4.550 0.002 0.000 0.284 350 Y C 2.646 178.278 175.900 -0.446 0.000 1.143 350 Y CA 1.251 58.711 58.100 -1.067 0.000 1.135 350 Y CB -0.773 36.761 38.460 -1.544 0.000 0.980 350 Y HN 0.294 nan 8.280 nan 0.000 0.499 351 A N 0.351 122.892 122.820 -0.465 0.000 1.908 351 A HA -0.287 4.034 4.320 0.002 0.000 0.218 351 A C 2.123 179.569 177.584 -0.230 0.000 1.181 351 A CA 2.155 53.976 52.037 -0.360 0.000 0.627 351 A CB -0.847 18.032 19.000 -0.202 0.000 0.818 351 A HN 0.705 nan 8.150 nan 0.000 0.445 352 Q N -0.809 118.931 119.800 -0.100 0.000 2.124 352 Q HA -0.067 4.274 4.340 0.002 0.000 0.202 352 Q C 2.394 178.545 176.000 0.251 0.000 0.977 352 Q CA 1.288 57.136 55.803 0.074 0.000 0.850 352 Q CB -0.390 28.433 28.738 0.142 0.000 0.901 352 Q HN 0.691 nan 8.270 nan 0.000 0.429 353 A N 0.880 123.803 122.820 0.171 0.000 1.972 353 A HA -0.136 4.185 4.320 0.002 0.000 0.219 353 A C 2.012 179.555 177.584 -0.068 0.000 1.169 353 A CA 0.983 53.035 52.037 0.025 0.000 0.635 353 A CB -0.560 18.356 19.000 -0.139 0.000 0.810 353 A HN 0.291 nan 8.150 nan 0.000 0.446 354 L N -0.707 120.390 121.223 -0.211 0.000 2.201 354 L HA -0.090 4.251 4.340 0.002 0.000 0.212 354 L C 2.083 178.894 176.870 -0.098 0.000 1.105 354 L CA 0.607 55.317 54.840 -0.217 0.000 0.775 354 L CB -0.381 41.462 42.059 -0.361 0.000 0.913 354 L HN 0.374 nan 8.230 nan 0.000 0.440 355 L N -0.752 120.440 121.223 -0.052 0.000 2.478 355 L HA 0.010 4.352 4.340 0.002 0.000 0.223 355 L C 0.796 177.680 176.870 0.024 0.000 1.140 355 L CA -0.230 54.597 54.840 -0.020 0.000 0.842 355 L CB -0.164 41.880 42.059 -0.025 0.000 0.953 355 L HN -0.032 nan 8.230 nan 0.000 0.452 356 V N 1.216 121.169 119.914 0.065 0.000 2.599 356 V HA -0.117 4.004 4.120 0.002 0.000 0.300 356 V C 0.493 176.615 176.094 0.047 0.000 1.034 356 V CA 0.090 62.444 62.300 0.090 0.000 1.115 356 V CB 0.655 32.547 31.823 0.117 0.000 0.934 356 V HN 0.146 nan 8.190 nan 0.000 0.485 357 D N 5.531 125.963 120.400 0.054 0.000 2.435 357 D HA 0.076 4.717 4.640 0.002 0.000 0.230 357 D C 1.372 177.692 176.300 0.033 0.000 1.215 357 D CA -0.291 53.730 54.000 0.035 0.000 0.947 357 D CB 0.484 41.310 40.800 0.044 0.000 1.048 357 D HN 0.349 nan 8.370 nan 0.000 0.512 358 R N 2.856 123.365 120.500 0.014 0.000 2.105 358 R HA -0.141 4.201 4.340 0.002 0.000 0.239 358 R C 1.811 178.105 176.300 -0.010 0.000 1.135 358 R CA 1.260 57.362 56.100 0.004 0.000 0.967 358 R CB -0.892 29.403 30.300 -0.010 0.000 0.861 358 R HN 0.491 nan 8.270 nan 0.000 0.442 359 A N 1.255 124.061 122.820 -0.023 0.000 1.877 359 A HA -0.068 4.253 4.320 0.002 0.000 0.216 359 A C 2.429 179.963 177.584 -0.083 0.000 1.186 359 A CA 1.906 53.914 52.037 -0.047 0.000 0.620 359 A CB -0.602 18.371 19.000 -0.046 0.000 0.822 359 A HN 0.352 nan 8.150 nan 0.000 0.443 360 A N -0.612 122.163 122.820 -0.074 0.000 1.898 360 A HA 0.000 4.321 4.320 0.002 0.000 0.216 360 A C 2.141 179.650 177.584 -0.125 0.000 1.181 360 A CA 1.677 53.617 52.037 -0.162 0.000 0.620 360 A CB -0.652 18.339 19.000 -0.015 0.000 0.819 360 A HN 0.675 nan 8.150 nan 0.000 0.442 361 L N 0.010 121.268 121.223 0.059 0.000 2.012 361 L HA -0.143 4.199 4.340 0.002 0.000 0.210 361 L C 2.630 179.536 176.870 0.061 0.000 1.073 361 L CA 2.641 57.565 54.840 0.140 0.000 0.748 361 L CB -0.794 41.326 42.059 0.102 0.000 0.891 361 L HN 0.375 nan 8.230 nan 0.000 0.431 362 S N -0.614 115.082 115.700 -0.006 0.000 2.359 362 S HA -0.171 4.300 4.470 0.002 0.000 0.224 362 S C 2.086 176.657 174.600 -0.048 0.000 1.035 362 S CA 1.479 59.665 58.200 -0.023 0.000 1.018 362 S CB -1.006 62.171 63.200 -0.038 0.000 0.876 362 S HN 0.672 nan 8.310 nan 0.000 0.448 363 G N -0.445 108.276 108.800 -0.131 0.000 2.421 363 G HA2 -0.176 3.785 3.960 0.002 0.000 0.216 363 G HA3 -0.176 3.785 3.960 0.002 0.000 0.216 363 G C 1.178 175.997 174.900 -0.135 0.000 1.171 363 G CA 1.031 46.017 45.100 -0.190 0.000 0.775 363 G HN 0.601 nan 8.290 nan 0.000 0.543 364 Y N 1.040 121.340 120.300 0.001 0.000 2.274 364 Y HA -0.067 4.484 4.550 0.002 0.000 0.290 364 Y C 3.109 179.010 175.900 0.002 0.000 1.145 364 Y CA 1.188 59.289 58.100 0.003 0.000 1.203 364 Y CB -0.448 38.016 38.460 0.007 0.000 0.984 364 Y HN 0.311 nan 8.280 nan 0.000 0.533 365 Q N -0.325 119.557 119.800 0.138 0.000 2.083 365 Q HA -0.149 4.192 4.340 0.002 0.000 0.198 365 Q C 1.980 178.009 176.000 0.048 0.000 0.969 365 Q CA 1.203 57.053 55.803 0.078 0.000 0.838 365 Q CB -0.066 28.701 28.738 0.048 0.000 0.900 365 Q HN 0.395 nan 8.270 nan 0.000 0.436 366 E N 0.994 121.210 120.200 0.027 0.000 2.150 366 E HA -0.140 4.211 4.350 0.002 0.000 0.193 366 E C 1.229 177.842 176.600 0.022 0.000 0.985 366 E CA 0.904 57.311 56.400 0.013 0.000 0.814 366 E CB -0.070 29.625 29.700 -0.008 0.000 0.752 366 E HN 0.374 nan 8.360 nan 0.000 0.466 367 D N 0.268 120.692 120.400 0.040 0.000 2.355 367 D HA -0.032 4.609 4.640 0.002 0.000 0.218 367 D C -0.123 176.213 176.300 0.060 0.000 1.004 367 D CA 0.106 54.137 54.000 0.051 0.000 0.880 367 D CB -0.247 40.600 40.800 0.078 0.000 0.911 367 D HN 0.176 nan 8.370 nan 0.000 0.528 368 N N 1.042 119.779 118.700 0.061 0.000 2.754 368 N HA -0.174 4.567 4.740 0.002 0.000 0.248 368 N C -0.695 174.848 175.510 0.054 0.000 1.093 368 N CA 0.425 53.504 53.050 0.049 0.000 0.699 368 N CB -0.676 37.830 38.487 0.032 0.000 1.016 368 N HN 0.074 nan 8.380 nan 0.000 0.552 369 D N 0.090 120.543 120.400 0.089 0.000 2.563 369 D HA 0.442 5.083 4.640 0.002 0.000 0.222 369 D C 1.136 177.440 176.300 0.006 0.000 1.145 369 D CA 0.360 54.397 54.000 0.063 0.000 1.001 369 D CB 0.123 41.015 40.800 0.154 0.000 1.049 369 D HN 0.382 nan 8.370 nan 0.000 0.515 370 A N 3.387 126.207 122.820 -0.000 0.000 1.917 370 A HA -0.203 4.118 4.320 0.002 0.000 0.219 370 A C 2.081 179.636 177.584 -0.049 0.000 1.182 370 A CA 1.133 53.163 52.037 -0.012 0.000 0.633 370 A CB -0.523 18.475 19.000 -0.003 0.000 0.819 370 A HN 0.596 nan 8.150 nan 0.000 0.448 371 L N -1.428 119.752 121.223 -0.072 0.000 2.017 371 L HA -0.172 4.169 4.340 0.002 0.000 0.208 371 L C 2.441 179.203 176.870 -0.180 0.000 1.073 371 L CA 1.892 56.673 54.840 -0.098 0.000 0.745 371 L CB -0.230 41.777 42.059 -0.085 0.000 0.894 371 L HN 0.282 nan 8.230 nan 0.000 0.432 372 M N -0.568 118.835 119.600 -0.327 0.000 2.319 372 M HA -0.060 4.421 4.480 0.002 0.000 0.265 372 M C 2.400 178.344 176.300 -0.592 0.000 1.068 372 M CA 1.477 56.382 55.300 -0.658 0.000 1.118 372 M CB -1.497 30.295 32.600 -1.347 0.000 1.395 372 M HN 0.480 nan 8.290 nan 0.000 0.435 373 A N -0.723 121.917 122.820 -0.300 0.000 1.873 373 A HA -0.155 4.166 4.320 0.002 0.000 0.215 373 A C 2.389 179.975 177.584 0.003 0.000 1.186 373 A CA 2.350 54.373 52.037 -0.024 0.000 0.616 373 A CB -1.143 17.893 19.000 0.060 0.000 0.823 373 A HN 0.427 nan 8.150 nan 0.000 0.442 374 T N -1.067 113.477 114.554 -0.016 0.000 2.867 374 T HA -0.111 4.240 4.350 0.002 0.000 0.268 374 T C 1.893 176.612 174.700 0.032 0.000 1.057 374 T CA 1.776 63.898 62.100 0.037 0.000 1.136 374 T CB -0.211 68.677 68.868 0.032 0.000 0.874 374 T HN 0.591 nan 8.240 nan 0.000 0.466 375 E N 0.371 120.547 120.200 -0.040 0.000 2.204 375 E HA -0.053 4.298 4.350 0.002 0.000 0.194 375 E C 2.120 178.718 176.600 -0.003 0.000 0.989 375 E CA 1.403 57.778 56.400 -0.043 0.000 0.824 375 E CB -0.581 29.060 29.700 -0.098 0.000 0.756 375 E HN 0.380 nan 8.360 nan 0.000 0.477 376 T N 0.599 115.160 114.554 0.011 0.000 2.821 376 T HA -0.090 4.261 4.350 0.002 0.000 0.267 376 T C 1.443 176.220 174.700 0.128 0.000 1.046 376 T CA 1.002 63.156 62.100 0.089 0.000 1.139 376 T CB -0.183 68.789 68.868 0.174 0.000 0.871 376 T HN 0.076 nan 8.240 nan 0.000 0.454 377 L N 0.946 122.266 121.223 0.162 0.000 2.072 377 L HA 0.076 4.417 4.340 0.002 0.000 0.205 377 L C 2.328 179.333 176.870 0.225 0.000 1.079 377 L CA 1.617 56.629 54.840 0.286 0.000 0.752 377 L CB -0.481 41.782 42.059 0.340 0.000 0.906 377 L HN -0.023 nan 8.230 nan 0.000 0.436 378 K N -0.357 120.124 120.400 0.135 0.000 2.147 378 K HA -0.087 4.234 4.320 0.002 0.000 0.205 378 K C 2.151 178.748 176.600 -0.005 0.000 1.049 378 K CA 0.951 57.267 56.287 0.047 0.000 0.936 378 K CB -0.238 32.255 32.500 -0.013 0.000 0.722 378 K HN 0.338 nan 8.250 nan 0.000 0.446 379 R N 0.108 120.613 120.500 0.007 0.000 2.120 379 R HA -0.061 4.280 4.340 0.002 0.000 0.234 379 R C 2.211 178.488 176.300 -0.038 0.000 1.123 379 R CA 1.193 57.281 56.100 -0.020 0.000 0.975 379 R CB -0.188 30.114 30.300 0.003 0.000 0.866 379 R HN 0.143 nan 8.270 nan 0.000 0.446 380 A N 0.161 122.978 122.820 -0.005 0.000 1.861 380 A HA -0.153 4.168 4.320 0.002 0.000 0.212 380 A C 1.911 179.402 177.584 -0.156 0.000 1.199 380 A CA 0.685 52.714 52.037 -0.014 0.000 0.613 380 A CB -0.680 18.407 19.000 0.145 0.000 0.846 380 A HN 0.378 nan 8.150 nan 0.000 0.446 381 Y N 1.016 121.012 120.300 -0.506 0.000 2.165 381 Y HA -0.193 4.358 4.550 0.002 0.000 0.286 381 Y C 2.366 178.042 175.900 -0.373 0.000 1.155 381 Y CA 2.012 59.666 58.100 -0.743 0.000 1.164 381 Y CB -0.251 37.625 38.460 -0.973 0.000 0.978 381 Y HN 0.232 nan 8.280 nan 0.000 0.513 382 R N -0.341 119.926 120.500 -0.388 0.000 2.189 382 R HA -0.030 4.312 4.340 0.002 0.000 0.223 382 R C 0.476 176.586 176.300 -0.316 0.000 1.092 382 R CA 0.968 56.840 56.100 -0.381 0.000 0.989 382 R CB -0.620 29.559 30.300 -0.202 0.000 0.876 382 R HN 0.174 nan 8.270 nan 0.000 0.457 383 T N 1.730 116.129 114.554 -0.258 0.000 2.867 383 T HA -0.048 4.303 4.350 0.002 0.000 0.297 383 T C -0.123 174.447 174.700 -0.216 0.000 0.989 383 T CA 0.057 62.040 62.100 -0.196 0.000 1.159 383 T CB 0.764 69.543 68.868 -0.148 0.000 0.928 383 T HN 0.008 nan 8.240 nan 0.000 0.538 384 D N 3.248 123.543 120.400 -0.176 0.000 2.374 384 D HA 0.119 4.760 4.640 0.002 0.000 0.240 384 D C 1.054 177.278 176.300 -0.127 0.000 1.229 384 D CA -0.706 53.199 54.000 -0.157 0.000 0.895 384 D CB 0.468 41.192 40.800 -0.126 0.000 1.046 384 D HN 0.334 nan 8.370 nan 0.000 0.498 385 V N 1.654 121.491 119.914 -0.128 0.000 3.633 385 V HA 0.147 4.269 4.120 0.002 0.000 0.283 385 V C 1.681 177.736 176.094 -0.065 0.000 1.305 385 V CA -0.002 62.237 62.300 -0.100 0.000 1.153 385 V CB 0.082 31.838 31.823 -0.112 0.000 0.950 385 V HN 0.291 nan 8.190 nan 0.000 0.432 386 E N 2.629 122.791 120.200 -0.063 0.000 2.130 386 E HA -0.123 4.228 4.350 0.002 0.000 0.196 386 E C -0.194 176.409 176.600 0.004 0.000 0.998 386 E CA 2.367 58.745 56.400 -0.037 0.000 0.806 386 E CB -1.433 28.243 29.700 -0.041 0.000 0.738 386 E HN 0.516 nan 8.360 nan 0.000 0.459 387 P HA -0.123 nan 4.420 nan 0.000 0.217 387 P C 1.129 178.557 177.300 0.213 0.000 1.150 387 P CA 1.044 64.214 63.100 0.117 0.000 0.832 387 P CB 0.014 31.785 31.700 0.119 0.000 0.787 388 I N -1.505 119.156 120.570 0.151 0.000 2.163 388 I HA -0.168 4.004 4.170 0.002 0.000 0.240 388 I C 2.099 178.273 176.117 0.095 0.000 1.081 388 I CA 1.442 62.852 61.300 0.183 0.000 1.353 388 I CB -1.648 36.387 38.000 0.058 0.000 1.054 388 I HN -0.051 nan 8.210 nan 0.000 0.407 389 L N 1.127 122.369 121.223 0.032 0.000 2.012 389 L HA -0.157 4.184 4.340 0.002 0.000 0.210 389 L C 2.732 179.608 176.870 0.010 0.000 1.073 389 L CA 2.173 57.016 54.840 0.006 0.000 0.748 389 L CB -1.347 40.696 42.059 -0.025 0.000 0.891 389 L HN 0.213 nan 8.230 nan 0.000 0.431 390 A N -0.969 121.859 122.820 0.014 0.000 1.898 390 A HA -0.209 4.112 4.320 0.002 0.000 0.216 390 A C 2.322 179.894 177.584 -0.019 0.000 1.181 390 A CA 1.610 53.648 52.037 0.001 0.000 0.620 390 A CB -0.493 18.510 19.000 0.004 0.000 0.819 390 A HN 0.393 nan 8.150 nan 0.000 0.442 391 E N 0.394 120.574 120.200 -0.032 0.000 2.106 391 E HA -0.015 4.336 4.350 0.002 0.000 0.192 391 E C 1.958 178.509 176.600 -0.081 0.000 0.984 391 E CA 1.463 57.782 56.400 -0.135 0.000 0.806 391 E CB -0.475 29.003 29.700 -0.371 0.000 0.750 391 E HN 0.441 nan 8.360 nan 0.000 0.458 392 A N 0.849 123.659 122.820 -0.016 0.000 1.902 392 A HA -0.191 4.130 4.320 0.002 0.000 0.217 392 A C 2.241 179.831 177.584 0.011 0.000 1.181 392 A CA 1.678 53.721 52.037 0.009 0.000 0.623 392 A CB -0.462 18.558 19.000 0.034 0.000 0.818 392 A HN 0.207 nan 8.150 nan 0.000 0.443 393 R N -1.165 119.339 120.500 0.007 0.000 2.066 393 R HA -0.086 4.255 4.340 0.002 0.000 0.232 393 R C 2.558 178.860 176.300 0.004 0.000 1.131 393 R CA 1.416 57.523 56.100 0.013 0.000 0.955 393 R CB -0.346 29.959 30.300 0.008 0.000 0.851 393 R HN 0.540 nan 8.270 nan 0.000 0.432 394 R N 1.091 121.581 120.500 -0.017 0.000 2.105 394 R HA -0.125 4.216 4.340 0.002 0.000 0.239 394 R C 2.068 178.355 176.300 -0.022 0.000 1.135 394 R CA 1.521 57.607 56.100 -0.024 0.000 0.967 394 R CB -0.016 30.254 30.300 -0.050 0.000 0.861 394 R HN 0.153 nan 8.270 nan 0.000 0.442 395 R N -0.699 119.783 120.500 -0.030 0.000 2.235 395 R HA -0.036 4.306 4.340 0.002 0.000 0.213 395 R C 1.329 177.634 176.300 0.008 0.000 1.059 395 R CA 1.559 57.647 56.100 -0.020 0.000 0.997 395 R CB 0.161 30.443 30.300 -0.030 0.000 0.884 395 R HN 0.344 nan 8.270 nan 0.000 0.462 396 T N -3.828 110.740 114.554 0.022 0.000 3.176 396 T HA 0.299 4.650 4.350 0.002 0.000 0.263 396 T C 1.034 175.761 174.700 0.044 0.000 1.021 396 T CA 0.213 62.337 62.100 0.041 0.000 0.905 396 T CB 1.181 70.087 68.868 0.064 0.000 1.057 396 T HN 0.293 nan 8.240 nan 0.000 0.558 397 G N 0.065 108.889 108.800 0.039 0.000 2.141 397 G HA2 -0.029 3.932 3.960 0.002 0.000 0.231 397 G HA3 -0.029 3.932 3.960 0.002 0.000 0.231 397 G C 0.426 175.359 174.900 0.055 0.000 0.984 397 G CA -0.276 44.858 45.100 0.057 0.000 0.660 397 G HN 1.001 nan 8.290 nan 0.000 0.525 398 G N -0.587 108.234 108.800 0.036 0.000 2.583 398 G HA2 0.871 4.832 3.960 0.002 0.000 0.280 398 G HA3 0.871 4.832 3.960 0.002 0.000 0.280 398 G C 0.161 175.074 174.900 0.021 0.000 1.376 398 G CA 0.160 45.277 45.100 0.029 0.000 1.043 398 G HN 1.517 nan 8.290 nan 0.000 0.538 399 A N -1.472 121.358 122.820 0.016 0.000 2.325 399 A HA 0.588 4.909 4.320 0.002 0.000 0.333 399 A C 1.074 178.661 177.584 0.004 0.000 1.155 399 A CA -0.493 51.552 52.037 0.012 0.000 0.814 399 A CB 1.732 20.744 19.000 0.020 0.000 1.206 399 A HN 0.657 nan 8.150 nan 0.000 0.482 400 V N 0.919 120.833 119.914 -0.000 0.000 2.343 400 V HA -0.081 4.040 4.120 0.002 0.000 0.247 400 V C 0.708 176.802 176.094 -0.001 0.000 1.051 400 V CA 2.357 64.654 62.300 -0.005 0.000 1.036 400 V CB -0.288 31.530 31.823 -0.008 0.000 0.654 400 V HN 0.877 nan 8.190 nan 0.000 0.451 401 D N -1.456 118.946 120.400 0.004 0.000 2.408 401 D HA 0.245 4.886 4.640 0.002 0.000 0.261 401 D C -2.000 174.310 176.300 0.017 0.000 1.190 401 D CA -2.029 51.976 54.000 0.007 0.000 0.910 401 D CB 1.968 42.773 40.800 0.009 0.000 1.097 401 D HN 0.048 nan 8.370 nan 0.000 0.522 402 P HA -0.175 nan 4.420 nan 0.000 0.214 402 P C 1.677 179.005 177.300 0.047 0.000 1.163 402 P CA 0.723 63.831 63.100 0.014 0.000 0.889 402 P CB 0.480 32.169 31.700 -0.018 0.000 0.790 403 V N -0.116 119.818 119.914 0.032 0.000 2.343 403 V HA -0.267 3.854 4.120 0.002 0.000 0.247 403 V C 2.459 178.630 176.094 0.129 0.000 1.051 403 V CA 2.236 64.583 62.300 0.079 0.000 1.036 403 V CB -1.780 30.065 31.823 0.036 0.000 0.654 403 V HN 0.112 nan 8.190 nan 0.000 0.451 404 A N -0.354 122.510 122.820 0.073 0.000 1.902 404 A HA -0.227 4.095 4.320 0.002 0.000 0.217 404 A C 2.406 180.027 177.584 0.062 0.000 1.181 404 A CA 2.527 54.599 52.037 0.058 0.000 0.623 404 A CB -0.962 18.058 19.000 0.033 0.000 0.818 404 A HN 0.492 nan 8.150 nan 0.000 0.443 405 T N -1.644 112.950 114.554 0.067 0.000 2.821 405 T HA -0.135 4.216 4.350 0.002 0.000 0.267 405 T C 1.774 176.525 174.700 0.085 0.000 1.046 405 T CA 1.558 63.694 62.100 0.060 0.000 1.139 405 T CB -0.404 68.496 68.868 0.052 0.000 0.871 405 T HN 0.575 nan 8.240 nan 0.000 0.454 406 Y N 2.290 122.586 120.300 -0.007 0.000 2.145 406 Y HA -0.142 4.409 4.550 0.002 0.000 0.286 406 Y C 2.418 178.337 175.900 0.032 0.000 1.145 406 Y CA 1.336 59.434 58.100 -0.004 0.000 1.148 406 Y CB -0.176 38.269 38.460 -0.024 0.000 0.981 406 Y HN 0.014 nan 8.280 nan 0.000 0.507 407 R N -0.198 120.292 120.500 -0.016 0.000 2.090 407 R HA -0.049 4.292 4.340 0.002 0.000 0.228 407 R C 2.473 178.719 176.300 -0.090 0.000 1.110 407 R CA 0.964 57.004 56.100 -0.100 0.000 0.973 407 R CB -0.572 29.744 30.300 0.027 0.000 0.869 407 R HN 0.423 nan 8.270 nan 0.000 0.440 408 A N 1.152 123.950 122.820 -0.038 0.000 2.015 408 A HA -0.152 4.169 4.320 0.002 0.000 0.219 408 A C 2.170 179.731 177.584 -0.038 0.000 1.163 408 A CA 1.729 53.749 52.037 -0.027 0.000 0.646 408 A CB -0.377 18.620 19.000 -0.005 0.000 0.806 408 A HN 0.418 nan 8.150 nan 0.000 0.448 409 S N -1.559 114.108 115.700 -0.055 0.000 2.461 409 S HA 0.293 4.764 4.470 0.002 0.000 0.228 409 S C 1.562 176.134 174.600 -0.046 0.000 1.005 409 S CA 1.180 59.360 58.200 -0.033 0.000 0.942 409 S CB -0.626 62.571 63.200 -0.004 0.000 0.776 409 S HN 1.926 nan 8.310 nan 0.000 0.514 410 G N 0.429 109.162 108.800 -0.112 0.000 2.160 410 G HA2 -0.385 3.576 3.960 0.002 0.000 0.251 410 G HA3 -0.385 3.576 3.960 0.002 0.000 0.251 410 G C 0.218 175.061 174.900 -0.094 0.000 1.008 410 G CA 0.479 45.516 45.100 -0.105 0.000 0.724 410 G HN 0.613 nan 8.290 nan 0.000 0.514 411 Y N 0.813 120.951 120.300 -0.270 0.000 2.114 411 Y HA -0.215 4.337 4.550 0.002 0.000 0.282 411 Y C 2.800 178.634 175.900 -0.111 0.000 1.165 411 Y CA 2.846 60.841 58.100 -0.175 0.000 1.148 411 Y CB -0.172 38.190 38.460 -0.164 0.000 0.972 411 Y HN 0.343 nan 8.280 nan 0.000 0.504 412 R N 0.892 121.353 120.500 -0.065 0.000 2.083 412 R HA -0.142 4.199 4.340 0.002 0.000 0.237 412 R C 2.274 178.527 176.300 -0.077 0.000 1.137 412 R CA 1.814 57.911 56.100 -0.004 0.000 0.951 412 R CB -1.242 29.107 30.300 0.081 0.000 0.851 412 R HN 0.404 nan 8.270 nan 0.000 0.434 413 A N 0.723 123.494 122.820 -0.082 0.000 1.972 413 A HA -0.160 4.161 4.320 0.002 0.000 0.219 413 A C 2.256 179.785 177.584 -0.092 0.000 1.169 413 A CA 1.581 53.578 52.037 -0.066 0.000 0.635 413 A CB -0.626 18.342 19.000 -0.054 0.000 0.810 413 A HN 0.444 nan 8.150 nan 0.000 0.446 414 R N 0.238 120.650 120.500 -0.146 0.000 2.062 414 R HA -0.108 4.233 4.340 0.002 0.000 0.231 414 R C 2.068 178.251 176.300 -0.196 0.000 1.136 414 R CA 2.184 58.184 56.100 -0.167 0.000 0.948 414 R CB -0.611 29.566 30.300 -0.206 0.000 0.845 414 R HN 0.475 nan 8.270 nan 0.000 0.430 415 V N -1.178 118.549 119.914 -0.311 0.000 2.626 415 V HA 0.013 4.134 4.120 0.002 0.000 0.252 415 V C 2.358 178.387 176.094 -0.108 0.000 1.067 415 V CA 1.540 63.695 62.300 -0.241 0.000 1.081 415 V CB -1.013 30.620 31.823 -0.316 0.000 0.686 415 V HN 0.392 nan 8.190 nan 0.000 0.468 416 A N 0.751 123.521 122.820 -0.084 0.000 1.972 416 A HA 0.141 4.462 4.320 0.002 0.000 0.219 416 A C 2.418 179.985 177.584 -0.029 0.000 1.169 416 A CA 2.034 54.051 52.037 -0.034 0.000 0.635 416 A CB -0.839 18.150 19.000 -0.019 0.000 0.810 416 A HN 0.924 nan 8.150 nan 0.000 0.446 417 A N -0.311 122.483 122.820 -0.044 0.000 2.016 417 A HA -0.022 4.300 4.320 0.002 0.000 0.217 417 A C 1.831 179.399 177.584 -0.027 0.000 1.162 417 A CA 1.281 53.299 52.037 -0.031 0.000 0.662 417 A CB -0.271 18.707 19.000 -0.036 0.000 0.812 417 A HN 0.631 nan 8.150 nan 0.000 0.450 418 E N -0.372 119.806 120.200 -0.038 0.000 2.190 418 E HA 0.023 4.374 4.350 0.002 0.000 0.191 418 E C 0.398 176.993 176.600 -0.009 0.000 0.978 418 E CA 0.118 56.503 56.400 -0.025 0.000 0.839 418 E CB 0.138 29.816 29.700 -0.037 0.000 0.787 418 E HN 0.477 nan 8.360 nan 0.000 0.473 419 R N 1.947 122.442 120.500 -0.008 0.000 2.536 419 R HA 0.284 4.625 4.340 0.002 0.000 0.279 419 R C -2.327 173.981 176.300 0.014 0.000 1.001 419 R CA -2.033 54.073 56.100 0.010 0.000 1.027 419 R CB 0.372 30.682 30.300 0.017 0.000 1.096 419 R HN -0.030 nan 8.270 nan 0.000 0.502 420 P HA 0.021 nan 4.420 nan 0.000 0.269 420 P C -0.777 176.537 177.300 0.024 0.000 1.215 420 P CA -0.184 62.929 63.100 0.021 0.000 0.780 420 P CB 0.672 32.386 31.700 0.025 0.000 0.898 421 A N 2.725 125.558 122.820 0.022 0.000 2.425 421 A HA 0.426 4.747 4.320 0.002 0.000 0.242 421 A C 0.731 178.333 177.584 0.030 0.000 1.077 421 A CA -0.108 51.945 52.037 0.026 0.000 0.781 421 A CB -0.364 18.651 19.000 0.024 0.000 1.020 421 A HN 0.635 nan 8.150 nan 0.000 0.494 422 S N -0.439 115.283 115.700 0.036 0.000 2.745 422 S HA 0.755 5.226 4.470 0.002 0.000 0.292 422 S C -0.185 174.437 174.600 0.037 0.000 1.133 422 S CA -0.057 58.165 58.200 0.037 0.000 0.998 422 S CB 1.278 64.505 63.200 0.045 0.000 1.087 422 S HN 1.887 nan 8.310 nan 0.000 0.551 423 V N -2.580 117.353 119.914 0.031 0.000 2.686 423 V HA 0.912 5.033 4.120 0.002 0.000 0.306 423 V C -0.099 176.006 176.094 0.018 0.000 1.065 423 V CA -1.097 61.221 62.300 0.029 0.000 0.894 423 V CB 0.756 32.592 31.823 0.021 0.000 1.004 423 V HN 1.282 nan 8.190 nan 0.000 0.424 424 A N 2.949 125.786 122.820 0.028 0.000 2.287 424 A HA 1.028 5.349 4.320 0.002 0.000 0.273 424 A C 0.742 178.294 177.584 -0.052 0.000 1.091 424 A CA 0.379 52.407 52.037 -0.015 0.000 0.817 424 A CB 0.889 19.925 19.000 0.059 0.000 1.069 424 A HN 2.417 nan 8.150 nan 0.000 0.492 425 G N -1.204 107.514 108.800 -0.136 0.000 2.510 425 G HA2 0.580 4.541 3.960 0.002 0.000 0.277 425 G HA3 0.580 4.541 3.960 0.002 0.000 0.277 425 G C -0.047 174.756 174.900 -0.162 0.000 1.223 425 G CA 0.148 45.184 45.100 -0.106 0.000 0.887 425 G HN 1.389 nan 8.290 nan 0.000 0.485 426 G N -1.168 107.571 108.800 -0.101 0.000 2.537 426 G HA2 0.659 4.620 3.960 0.002 0.000 0.297 426 G HA3 0.659 4.620 3.960 0.002 0.000 0.297 426 G C 0.475 175.311 174.900 -0.107 0.000 1.310 426 G CA 0.504 45.546 45.100 -0.096 0.000 1.027 426 G HN 1.234 nan 8.290 nan 0.000 0.505 427 G N -1.678 107.064 108.800 -0.096 0.000 2.736 427 G HA2 0.448 4.409 3.960 0.002 0.000 0.229 427 G HA3 0.448 4.409 3.960 0.002 0.000 0.229 427 G C 0.812 175.664 174.900 -0.082 0.000 1.380 427 G CA 0.104 45.143 45.100 -0.101 0.000 1.040 427 G HN 1.075 nan 8.290 nan 0.000 0.568 428 G N -0.644 108.110 108.800 -0.076 0.000 3.379 428 G HA2 0.224 4.185 3.960 0.002 0.000 0.253 428 G HA3 0.224 4.185 3.960 0.002 0.000 0.253 428 G C 1.170 176.030 174.900 -0.067 0.000 1.262 428 G CA -0.168 44.900 45.100 -0.052 0.000 0.959 428 G HN 0.323 nan 8.290 nan 0.000 0.524 429 I N 0.811 121.315 120.570 -0.110 0.000 2.194 429 I HA -0.047 4.124 4.170 0.002 0.000 0.246 429 I C 1.030 177.116 176.117 -0.052 0.000 1.093 429 I CA 1.310 62.533 61.300 -0.128 0.000 1.355 429 I CB 0.028 37.921 38.000 -0.179 0.000 1.046 429 I HN 0.383 nan 8.210 nan 0.000 0.413 430 I N 0.000 120.554 120.570 -0.027 0.000 2.984 430 I HA 0.000 4.171 4.170 0.002 0.000 0.288 430 I CA 0.000 61.297 61.300 -0.005 0.000 1.566 430 I CB 0.000 38.005 38.000 0.009 0.000 1.214 430 I HN 0.000 nan 8.210 nan 0.000 0.494