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 3m0y_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 AHMIDQAHNV 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 0.000 176.209 176.600 -0.652 0.000 1.382 3 E CA 0.000 56.183 56.400 -0.361 0.000 0.976 3 E CB 0.000 29.610 29.700 -0.151 0.000 0.812 4 F N 1.645 121.608 119.950 0.022 0.000 2.771 4 F HA 0.310 4.837 4.527 -0.000 0.000 0.365 4 F C 1.105 176.928 175.800 0.039 0.000 1.169 4 F CA -0.775 57.235 58.000 0.018 0.000 1.093 4 F CB 0.911 39.918 39.000 0.013 0.000 1.363 4 F HN 0.235 nan 8.300 nan 0.000 0.496 5 R N 1.217 121.820 120.500 0.171 0.000 2.139 5 R HA -0.033 4.307 4.340 -0.000 0.000 0.243 5 R C 0.420 176.833 176.300 0.188 0.000 1.145 5 R CA 1.041 57.247 56.100 0.176 0.000 0.976 5 R CB -0.053 30.288 30.300 0.068 0.000 0.866 5 R HN 0.295 nan 8.270 nan 0.000 0.449 6 I N 0.860 121.518 120.570 0.147 0.000 2.362 6 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 6 I C 0.150 176.322 176.117 0.090 0.000 0.994 6 I CA -1.762 59.602 61.300 0.106 0.000 1.158 6 I CB 1.129 39.160 38.000 0.051 0.000 1.315 6 I HN -0.094 nan 8.210 nan 0.000 0.451 7 A N 6.092 128.950 122.820 0.063 0.000 2.566 7 A HA -0.003 4.317 4.320 -0.000 0.000 0.245 7 A C 1.295 178.841 177.584 -0.063 0.000 1.056 7 A CA 0.236 52.280 52.037 0.011 0.000 0.757 7 A CB 0.028 19.035 19.000 0.011 0.000 0.979 7 A HN 0.829 nan 8.150 nan 0.000 0.508 8 Q N 1.063 120.766 119.800 -0.162 0.000 2.181 8 Q HA -0.208 4.132 4.340 -0.000 0.000 0.205 8 Q C 1.335 177.254 176.000 -0.135 0.000 0.980 8 Q CA 1.628 57.290 55.803 -0.235 0.000 0.862 8 Q CB -0.072 28.436 28.738 -0.383 0.000 0.905 8 Q HN 0.999 nan 8.270 nan 0.000 0.429 9 D N -0.110 120.235 120.400 -0.092 0.000 2.144 9 D HA -0.121 4.519 4.640 -0.000 0.000 0.200 9 D C 1.833 178.105 176.300 -0.047 0.000 0.978 9 D CA 0.935 54.898 54.000 -0.062 0.000 0.833 9 D CB -0.357 40.416 40.800 -0.044 0.000 0.961 9 D HN 0.108 nan 8.370 nan 0.000 0.470 10 V N 1.028 120.919 119.914 -0.039 0.000 2.358 10 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 10 V C 2.932 179.009 176.094 -0.028 0.000 1.047 10 V CA 1.056 63.340 62.300 -0.026 0.000 1.035 10 V CB -0.271 31.544 31.823 -0.014 0.000 0.658 10 V HN 0.097 nan 8.190 nan 0.000 0.452 11 V N 0.406 120.296 119.914 -0.039 0.000 2.295 11 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 11 V C 2.704 178.773 176.094 -0.042 0.000 1.049 11 V CA 2.045 64.322 62.300 -0.038 0.000 1.024 11 V CB -1.121 30.669 31.823 -0.055 0.000 0.648 11 V HN 0.551 nan 8.190 nan 0.000 0.447 12 A N -0.196 122.591 122.820 -0.055 0.000 1.898 12 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 12 A C 2.420 179.982 177.584 -0.037 0.000 1.181 12 A CA 1.915 53.922 52.037 -0.050 0.000 0.620 12 A CB -0.568 18.398 19.000 -0.058 0.000 0.819 12 A HN 0.449 nan 8.150 nan 0.000 0.442 13 R N -0.443 120.037 120.500 -0.033 0.000 2.080 13 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 13 R C 1.834 178.122 176.300 -0.021 0.000 1.137 13 R CA 1.778 57.863 56.100 -0.025 0.000 0.943 13 R CB -0.238 30.048 30.300 -0.023 0.000 0.846 13 R HN 0.426 nan 8.270 nan 0.000 0.431 14 E N 0.206 120.395 120.200 -0.018 0.000 2.268 14 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 14 E C 1.503 178.094 176.600 -0.015 0.000 0.995 14 E CA 0.951 57.343 56.400 -0.013 0.000 0.836 14 E CB -0.300 29.396 29.700 -0.007 0.000 0.763 14 E HN 0.521 nan 8.360 nan 0.000 0.491 15 N N 0.553 119.241 118.700 -0.020 0.000 2.173 15 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 15 N C 1.266 176.761 175.510 -0.024 0.000 1.025 15 N CA 0.666 53.702 53.050 -0.023 0.000 0.852 15 N CB 0.127 38.596 38.487 -0.030 0.000 0.998 15 N HN 0.050 nan 8.380 nan 0.000 0.427 16 D N 1.006 121.391 120.400 -0.024 0.000 2.149 16 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 16 D C 1.784 178.073 176.300 -0.018 0.000 0.990 16 D CA 0.850 54.836 54.000 -0.022 0.000 0.839 16 D CB -0.171 40.616 40.800 -0.022 0.000 0.948 16 D HN 0.235 nan 8.370 nan 0.000 0.460 17 R N 0.686 121.176 120.500 -0.016 0.000 2.193 17 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 17 R C 1.438 177.731 176.300 -0.011 0.000 1.110 17 R CA 0.938 57.030 56.100 -0.013 0.000 0.988 17 R CB 0.211 30.504 30.300 -0.011 0.000 0.871 17 R HN 0.091 nan 8.270 nan 0.000 0.458 18 R N -1.503 118.989 120.500 -0.013 0.000 2.476 18 R HA 0.255 4.595 4.340 -0.000 0.000 0.276 18 R C 1.733 178.025 176.300 -0.013 0.000 0.941 18 R CA 0.401 56.494 56.100 -0.011 0.000 1.088 18 R CB 0.625 30.919 30.300 -0.010 0.000 1.216 18 R HN 0.085 nan 8.270 nan 0.000 0.533 19 A N 1.078 123.888 122.820 -0.018 0.000 1.892 19 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 19 A C 2.139 179.713 177.584 -0.015 0.000 1.188 19 A CA 2.203 54.227 52.037 -0.022 0.000 0.631 19 A CB -0.644 18.341 19.000 -0.026 0.000 0.822 19 A HN 0.263 nan 8.150 nan 0.000 0.447 20 S N -0.566 115.127 115.700 -0.011 0.000 2.351 20 S HA -0.114 4.356 4.470 -0.000 0.000 0.220 20 S C 2.232 176.831 174.600 -0.000 0.000 1.035 20 S CA 1.898 60.094 58.200 -0.006 0.000 1.031 20 S CB -0.584 62.612 63.200 -0.006 0.000 0.928 20 S HN 0.924 nan 8.310 nan 0.000 0.433 21 A N 1.210 124.029 122.820 -0.001 0.000 1.940 21 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 21 A C 2.162 179.753 177.584 0.011 0.000 1.176 21 A CA 1.748 53.787 52.037 0.002 0.000 0.631 21 A CB -0.872 18.127 19.000 -0.002 0.000 0.814 21 A HN 0.578 nan 8.150 nan 0.000 0.446 22 L N 0.035 121.263 121.223 0.009 0.000 2.017 22 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 22 L C 2.261 179.162 176.870 0.051 0.000 1.073 22 L CA 2.703 57.557 54.840 0.023 0.000 0.745 22 L CB -0.714 41.343 42.059 -0.003 0.000 0.894 22 L HN 0.455 nan 8.230 nan 0.000 0.432 23 K N -0.848 119.568 120.400 0.027 0.000 2.074 23 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 23 K C 1.968 178.614 176.600 0.076 0.000 1.048 23 K CA 1.650 57.964 56.287 0.046 0.000 0.926 23 K CB -0.052 32.456 32.500 0.015 0.000 0.713 23 K HN 0.376 nan 8.250 nan 0.000 0.444 24 E N 1.114 121.341 120.200 0.045 0.000 2.031 24 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 24 E C 1.842 178.464 176.600 0.037 0.000 0.994 24 E CA 1.230 57.650 56.400 0.033 0.000 0.800 24 E CB -0.321 29.387 29.700 0.014 0.000 0.752 24 E HN 0.415 nan 8.360 nan 0.000 0.447 25 D N -0.114 120.311 120.400 0.041 0.000 2.117 25 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 25 D C 1.943 178.268 176.300 0.042 0.000 0.987 25 D CA 0.827 54.844 54.000 0.027 0.000 0.829 25 D CB -0.388 40.427 40.800 0.025 0.000 0.961 25 D HN 0.202 nan 8.370 nan 0.000 0.460 26 Y N 1.926 122.208 120.300 -0.029 0.000 2.145 26 Y HA -0.158 4.392 4.550 -0.000 0.000 0.286 26 Y C 2.188 178.072 175.900 -0.026 0.000 1.145 26 Y CA 1.592 59.675 58.100 -0.029 0.000 1.148 26 Y CB 0.046 38.491 38.460 -0.024 0.000 0.981 26 Y HN -0.037 nan 8.280 nan 0.000 0.507 27 E N -0.312 119.950 120.200 0.103 0.000 2.110 27 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 27 E C 2.336 178.905 176.600 -0.050 0.000 0.988 27 E CA 0.857 57.273 56.400 0.026 0.000 0.804 27 E CB -0.292 29.442 29.700 0.056 0.000 0.745 27 E HN 0.561 nan 8.360 nan 0.000 0.458 28 A N 1.366 124.160 122.820 -0.044 0.000 1.902 28 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 28 A C 2.177 179.703 177.584 -0.097 0.000 1.181 28 A CA 1.006 53.008 52.037 -0.058 0.000 0.623 28 A CB -0.498 18.477 19.000 -0.043 0.000 0.818 28 A HN 0.216 nan 8.150 nan 0.000 0.443 29 L N 0.150 121.289 121.223 -0.139 0.000 2.056 29 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 29 L C 2.382 179.122 176.870 -0.217 0.000 1.078 29 L CA 2.272 57.004 54.840 -0.180 0.000 0.749 29 L CB -1.083 40.843 42.059 -0.220 0.000 0.901 29 L HN 0.296 nan 8.230 nan 0.000 0.433 30 G N -1.010 107.614 108.800 -0.292 0.000 2.440 30 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 30 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 30 G C 1.592 176.409 174.900 -0.138 0.000 1.154 30 G CA 0.840 45.785 45.100 -0.258 0.000 0.767 30 G HN 0.634 nan 8.290 nan 0.000 0.552 31 A N 1.073 123.830 122.820 -0.105 0.000 1.898 31 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 31 A C 2.225 179.769 177.584 -0.067 0.000 1.181 31 A CA 1.877 53.873 52.037 -0.068 0.000 0.620 31 A CB -0.580 18.390 19.000 -0.051 0.000 0.819 31 A HN 0.449 nan 8.150 nan 0.000 0.442 32 N N 0.434 119.087 118.700 -0.079 0.000 2.084 32 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 32 N C 1.779 177.246 175.510 -0.071 0.000 1.030 32 N CA 1.653 54.660 53.050 -0.071 0.000 0.849 32 N CB -0.294 38.146 38.487 -0.079 0.000 1.012 32 N HN 0.493 nan 8.380 nan 0.000 0.423 33 L N 0.829 121.998 121.223 -0.090 0.000 2.083 33 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 33 L C 2.728 179.561 176.870 -0.062 0.000 1.083 33 L CA 1.215 56.005 54.840 -0.082 0.000 0.752 33 L CB -0.538 41.456 42.059 -0.108 0.000 0.899 33 L HN 0.201 nan 8.230 nan 0.000 0.433 34 A N 0.126 122.909 122.820 -0.062 0.000 1.902 34 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 34 A C 2.331 179.894 177.584 -0.035 0.000 1.181 34 A CA 1.416 53.426 52.037 -0.044 0.000 0.623 34 A CB -0.483 18.492 19.000 -0.041 0.000 0.818 34 A HN 0.328 nan 8.150 nan 0.000 0.443 35 R N -0.892 119.586 120.500 -0.037 0.000 2.241 35 R HA -0.024 4.316 4.340 -0.000 0.000 0.224 35 R C 1.375 177.659 176.300 -0.025 0.000 1.101 35 R CA 1.089 57.172 56.100 -0.029 0.000 0.995 35 R CB -0.137 30.145 30.300 -0.030 0.000 0.870 35 R HN 0.436 nan 8.270 nan 0.000 0.463 36 R N -0.568 119.914 120.500 -0.030 0.000 2.427 36 R HA 0.123 4.463 4.340 -0.000 0.000 0.262 36 R C 0.660 176.947 176.300 -0.021 0.000 0.943 36 R CA 0.412 56.498 56.100 -0.024 0.000 1.081 36 R CB 0.911 31.193 30.300 -0.029 0.000 1.166 36 R HN 0.259 nan 8.270 nan 0.000 0.534 37 G N 0.781 109.568 108.800 -0.022 0.000 2.179 37 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 37 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 37 G C -0.049 174.838 174.900 -0.022 0.000 1.010 37 G CA 0.238 45.326 45.100 -0.019 0.000 0.736 37 G HN 0.166 nan 8.290 nan 0.000 0.513 38 V N 0.159 120.054 119.914 -0.031 0.000 2.555 38 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 38 V C -0.212 175.858 176.094 -0.041 0.000 1.038 38 V CA -0.627 61.652 62.300 -0.036 0.000 0.887 38 V CB 2.022 33.818 31.823 -0.045 0.000 0.991 38 V HN 0.322 nan 8.190 nan 0.000 0.434 39 D N 3.355 123.735 120.400 -0.033 0.000 2.411 39 D HA 0.204 4.843 4.640 -0.000 0.000 0.225 39 D C 1.022 177.301 176.300 -0.035 0.000 1.156 39 D CA -0.204 53.780 54.000 -0.028 0.000 0.874 39 D CB 0.907 41.701 40.800 -0.010 0.000 1.034 39 D HN 0.527 nan 8.370 nan 0.000 0.502 40 I N 2.891 123.422 120.570 -0.065 0.000 2.300 40 I HA -0.302 3.868 4.170 -0.000 0.000 0.252 40 I C 1.765 177.884 176.117 0.003 0.000 1.119 40 I CA 1.461 62.706 61.300 -0.092 0.000 1.384 40 I CB 0.265 38.115 38.000 -0.249 0.000 1.062 40 I HN 0.420 nan 8.210 nan 0.000 0.426 41 E N 1.228 121.455 120.200 0.044 0.000 2.110 41 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 41 E C 1.993 178.626 176.600 0.055 0.000 0.988 41 E CA 1.670 58.122 56.400 0.087 0.000 0.804 41 E CB -0.300 29.444 29.700 0.074 0.000 0.745 41 E HN 0.576 nan 8.360 nan 0.000 0.458 42 A N -0.018 122.818 122.820 0.026 0.000 1.933 42 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 42 A C 2.459 180.050 177.584 0.012 0.000 1.175 42 A CA 1.572 53.621 52.037 0.019 0.000 0.628 42 A CB -0.645 18.358 19.000 0.006 0.000 0.814 42 A HN 0.198 nan 8.150 nan 0.000 0.444 43 V N -0.385 119.525 119.914 -0.006 0.000 2.307 43 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 43 V C 2.719 178.815 176.094 0.005 0.000 1.045 43 V CA 2.441 64.722 62.300 -0.032 0.000 1.024 43 V CB -1.380 30.407 31.823 -0.061 0.000 0.651 43 V HN 0.579 nan 8.190 nan 0.000 0.449 44 T N 0.606 115.190 114.554 0.050 0.000 2.759 44 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 44 T C 2.055 176.795 174.700 0.065 0.000 1.042 44 T CA 1.617 63.767 62.100 0.083 0.000 1.140 44 T CB -0.455 68.507 68.868 0.157 0.000 0.864 44 T HN 0.567 nan 8.240 nan 0.000 0.455 45 A N 1.646 124.502 122.820 0.060 0.000 1.933 45 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 45 A C 2.283 179.906 177.584 0.064 0.000 1.175 45 A CA 1.496 53.566 52.037 0.056 0.000 0.628 45 A CB -0.369 18.662 19.000 0.051 0.000 0.814 45 A HN 0.449 nan 8.150 nan 0.000 0.444 46 K N -0.592 119.854 120.400 0.078 0.000 2.103 46 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 46 K C 1.847 178.571 176.600 0.207 0.000 1.052 46 K CA 1.133 57.504 56.287 0.140 0.000 0.945 46 K CB -0.258 32.333 32.500 0.151 0.000 0.722 46 K HN 0.290 nan 8.250 nan 0.000 0.443 47 V N 2.249 122.263 119.914 0.166 0.000 2.407 47 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 47 V C 1.854 177.986 176.094 0.063 0.000 1.055 47 V CA 1.779 64.178 62.300 0.165 0.000 1.049 47 V CB -0.461 31.404 31.823 0.071 0.000 0.662 47 V HN 0.344 nan 8.190 nan 0.000 0.455 48 E N 0.050 120.273 120.200 0.039 0.000 2.204 48 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 48 E C 1.825 178.374 176.600 -0.085 0.000 0.990 48 E CA 0.939 57.354 56.400 0.025 0.000 0.821 48 E CB -0.125 29.607 29.700 0.053 0.000 0.750 48 E HN 0.596 nan 8.360 nan 0.000 0.477 49 K N 0.094 120.387 120.400 -0.179 0.000 2.374 49 K HA 0.080 4.400 4.320 -0.000 0.000 0.196 49 K C -0.060 175.943 176.600 -0.995 0.000 1.023 49 K CA -0.259 55.743 56.287 -0.476 0.000 1.103 49 K CB 0.240 32.654 32.500 -0.143 0.000 0.848 49 K HN -0.022 nan 8.250 nan 0.000 0.528 50 F N 1.445 120.874 119.950 -0.867 0.000 2.411 50 F HA 0.318 4.845 4.527 -0.000 0.000 0.350 50 F C -0.666 174.646 175.800 -0.814 0.000 1.114 50 F CA -0.996 56.507 58.000 -0.828 0.000 1.135 50 F CB 0.397 38.934 39.000 -0.770 0.000 1.120 50 F HN -0.228 nan 8.300 nan 0.000 0.495 51 F N 5.120 124.677 119.950 -0.656 0.000 2.563 51 F HA 0.684 5.211 4.527 -0.000 0.000 0.316 51 F C -0.641 174.915 175.800 -0.407 0.000 1.076 51 F CA -1.438 56.353 58.000 -0.349 0.000 0.921 51 F CB 1.638 40.521 39.000 -0.194 0.000 1.209 51 F HN 0.241 nan 8.300 nan 0.000 0.462 52 V N 1.959 121.926 119.914 0.089 0.000 2.686 52 V HA 0.847 4.967 4.120 -0.000 0.000 0.306 52 V C -0.665 175.504 176.094 0.126 0.000 1.065 52 V CA -0.765 61.624 62.300 0.148 0.000 0.894 52 V CB 1.429 33.391 31.823 0.231 0.000 1.004 52 V HN 1.064 nan 8.190 nan 0.000 0.424 53 A N 5.820 128.715 122.820 0.125 0.000 2.407 53 A HA 0.642 4.962 4.320 -0.000 0.000 0.248 53 A C 0.019 177.616 177.584 0.022 0.000 1.082 53 A CA 0.271 52.343 52.037 0.058 0.000 0.785 53 A CB 0.661 19.703 19.000 0.070 0.000 1.020 53 A HN 1.846 nan 8.150 nan 0.000 0.489 54 V N 0.203 120.092 119.914 -0.041 0.000 2.612 54 V HA 0.697 4.817 4.120 -0.000 0.000 0.301 54 V C -2.553 173.409 176.094 -0.220 0.000 1.046 54 V CA -2.428 59.809 62.300 -0.106 0.000 0.946 54 V CB 1.481 33.246 31.823 -0.098 0.000 1.003 54 V HN 0.776 nan 8.190 nan 0.000 0.459 55 P HA 0.216 nan 4.420 nan 0.000 0.287 55 P C 0.860 177.760 177.300 -0.665 0.000 1.294 55 P CA -0.052 62.464 63.100 -0.973 0.000 0.776 55 P CB 1.748 32.448 31.700 -1.667 0.000 0.889 56 S N 3.253 118.766 115.700 -0.312 0.000 2.387 56 S HA -0.198 4.272 4.470 -0.000 0.000 0.230 56 S C 1.447 176.103 174.600 0.095 0.000 1.035 56 S CA 0.980 59.198 58.200 0.030 0.000 1.014 56 S CB -1.494 61.867 63.200 0.268 0.000 0.836 56 S HN 0.689 nan 8.310 nan 0.000 0.466 57 W N 1.686 123.107 121.300 0.203 0.000 3.077 57 W HA 0.594 5.254 4.660 -0.000 0.000 0.245 57 W C 1.640 178.208 176.519 0.082 0.000 1.316 57 W CA -0.329 57.090 57.345 0.123 0.000 1.537 57 W CB -0.650 28.948 29.460 0.230 0.000 1.131 57 W HN 0.216 nan 8.180 nan 0.000 0.695 58 G N 1.106 109.750 108.800 -0.260 0.000 2.796 58 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.210 58 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.210 58 G C 1.172 176.125 174.900 0.088 0.000 1.146 58 G CA 0.741 45.794 45.100 -0.077 0.000 0.779 58 G HN 0.389 nan 8.290 nan 0.000 0.535 59 V N -1.159 118.761 119.914 0.010 0.000 3.510 59 V HA 0.399 4.519 4.120 -0.000 0.000 0.270 59 V C 1.175 177.301 176.094 0.055 0.000 1.201 59 V CA 0.194 62.499 62.300 0.010 0.000 1.166 59 V CB -0.671 31.156 31.823 0.007 0.000 0.825 59 V HN 0.199 nan 8.190 nan 0.000 0.484 60 G N -0.133 108.716 108.800 0.081 0.000 2.410 60 G HA2 0.502 4.462 3.960 -0.000 0.000 0.330 60 G HA3 0.502 4.462 3.960 -0.000 0.000 0.330 60 G C -0.360 174.604 174.900 0.107 0.000 1.142 60 G CA -0.415 44.730 45.100 0.075 0.000 0.902 60 G HN 0.185 nan 8.290 nan 0.000 0.491 61 T N 0.708 115.319 114.554 0.095 0.000 2.870 61 T HA 0.458 4.808 4.350 -0.000 0.000 0.300 61 T C 1.006 175.760 174.700 0.090 0.000 0.989 61 T CA 0.524 62.694 62.100 0.116 0.000 1.139 61 T CB 1.159 70.093 68.868 0.111 0.000 0.920 61 T HN 0.709 nan 8.240 nan 0.000 0.537 62 G N 1.017 109.878 108.800 0.101 0.000 2.568 62 G HA2 0.764 4.724 3.960 -0.000 0.000 0.293 62 G HA3 0.764 4.724 3.960 -0.000 0.000 0.293 62 G C -0.054 174.886 174.900 0.067 0.000 1.347 62 G CA -0.327 44.811 45.100 0.064 0.000 1.039 62 G HN 0.995 nan 8.290 nan 0.000 0.523 63 G N -2.141 106.690 108.800 0.051 0.000 2.682 63 G HA2 0.690 4.650 3.960 -0.000 0.000 0.303 63 G HA3 0.690 4.650 3.960 -0.000 0.000 0.303 63 G C -0.572 174.366 174.900 0.063 0.000 1.341 63 G CA 0.419 45.553 45.100 0.055 0.000 0.784 63 G HN 1.200 nan 8.290 nan 0.000 0.497 64 T N -3.005 111.596 114.554 0.078 0.000 2.883 64 T HA 0.471 4.821 4.350 -0.000 0.000 0.284 64 T C 1.396 176.115 174.700 0.032 0.000 1.041 64 T CA -0.139 62.019 62.100 0.096 0.000 1.007 64 T CB 1.806 70.798 68.868 0.206 0.000 1.220 64 T HN 0.854 nan 8.240 nan 0.000 0.552 65 R N -0.500 119.971 120.500 -0.048 0.000 2.293 65 R HA 0.047 4.387 4.340 -0.000 0.000 0.219 65 R C 1.009 177.135 176.300 -0.290 0.000 1.091 65 R CA 1.246 57.230 56.100 -0.193 0.000 1.004 65 R CB -0.743 29.377 30.300 -0.301 0.000 0.865 65 R HN 0.518 nan 8.270 nan 0.000 0.469 66 F N 0.764 120.720 119.950 0.011 0.000 2.387 66 F HA 0.383 4.910 4.527 -0.000 0.000 0.294 66 F C 1.131 176.901 175.800 -0.051 0.000 1.093 66 F CA 0.632 58.632 58.000 -0.000 0.000 1.420 66 F CB 0.415 39.430 39.000 0.026 0.000 1.086 66 F HN 0.239 nan 8.300 nan 0.000 0.531 67 A N -0.444 122.413 122.820 0.062 0.000 2.522 67 A HA 0.640 4.960 4.320 -0.000 0.000 0.291 67 A C -1.264 176.145 177.584 -0.291 0.000 1.039 67 A CA -0.863 51.062 52.037 -0.186 0.000 0.643 67 A CB 0.927 19.713 19.000 -0.358 0.000 1.310 67 A HN 0.040 nan 8.150 nan 0.000 0.436 68 R N 0.016 120.231 120.500 -0.475 0.000 2.574 68 R HA 0.697 5.037 4.340 -0.000 0.000 0.288 68 R C -2.142 173.868 176.300 -0.483 0.000 1.004 68 R CA -0.474 55.431 56.100 -0.325 0.000 0.895 68 R CB 0.929 31.146 30.300 -0.137 0.000 1.191 68 R HN 0.587 nan 8.270 nan 0.000 0.444 69 F N 5.601 125.581 119.950 0.049 0.000 2.449 69 F HA 0.342 4.868 4.527 -0.000 0.000 0.344 69 F C -1.693 174.133 175.800 0.044 0.000 1.180 69 F CA -2.065 55.961 58.000 0.044 0.000 1.209 69 F CB 1.058 40.085 39.000 0.045 0.000 1.440 69 F HN 0.288 nan 8.300 nan 0.000 0.526 70 P HA 0.170 nan 4.420 nan 0.000 0.269 70 P C 0.383 177.753 177.300 0.116 0.000 1.209 70 P CA 0.136 63.302 63.100 0.110 0.000 0.776 70 P CB 1.421 33.159 31.700 0.064 0.000 0.876 71 G N 1.313 110.172 108.800 0.099 0.000 2.531 71 G HA2 0.527 4.487 3.960 -0.000 0.000 0.281 71 G HA3 0.527 4.487 3.960 -0.000 0.000 0.281 71 G C -0.295 174.646 174.900 0.068 0.000 1.382 71 G CA -0.395 44.757 45.100 0.087 0.000 1.045 71 G HN 0.659 nan 8.290 nan 0.000 0.533 72 T N -3.599 110.990 114.554 0.059 0.000 2.899 72 T HA 0.466 4.816 4.350 -0.000 0.000 0.284 72 T C 1.169 175.894 174.700 0.041 0.000 1.004 72 T CA 0.670 62.795 62.100 0.042 0.000 1.043 72 T CB 1.155 70.041 68.868 0.030 0.000 1.013 72 T HN 2.164 nan 8.240 nan 0.000 0.518 73 G N 1.205 110.021 108.800 0.025 0.000 2.249 73 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.273 73 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.273 73 G C -0.073 174.852 174.900 0.042 0.000 1.036 73 G CA -0.152 44.959 45.100 0.018 0.000 0.824 73 G HN 0.882 nan 8.290 nan 0.000 0.504 74 E N 0.969 121.197 120.200 0.046 0.000 2.384 74 E HA 0.184 4.534 4.350 -0.000 0.000 0.266 74 E C -1.699 174.933 176.600 0.053 0.000 1.012 74 E CA -1.305 55.127 56.400 0.053 0.000 0.901 74 E CB 0.745 30.472 29.700 0.045 0.000 0.967 74 E HN 0.358 nan 8.360 nan 0.000 0.435 75 P HA 0.099 nan 4.420 nan 0.000 0.271 75 P C 0.196 177.533 177.300 0.062 0.000 1.216 75 P CA 0.035 63.179 63.100 0.073 0.000 0.771 75 P CB 0.845 32.596 31.700 0.086 0.000 0.864 76 R N 1.704 122.247 120.500 0.072 0.000 2.093 76 R HA 0.165 4.505 4.340 -0.000 0.000 0.224 76 R C 1.409 177.754 176.300 0.075 0.000 1.101 76 R CA 1.452 57.593 56.100 0.067 0.000 0.979 76 R CB -0.080 30.266 30.300 0.076 0.000 0.877 76 R HN 0.688 nan 8.270 nan 0.000 0.441 77 G N -1.041 107.817 108.800 0.098 0.000 2.650 77 G HA2 0.143 4.103 3.960 -0.000 0.000 0.310 77 G HA3 0.143 4.103 3.960 -0.000 0.000 0.310 77 G C -0.185 174.760 174.900 0.075 0.000 1.270 77 G CA -0.656 44.499 45.100 0.091 0.000 0.810 77 G HN -0.006 nan 8.290 nan 0.000 0.493 78 I N -0.340 120.230 120.570 0.000 0.000 2.264 78 I HA -0.011 4.159 4.170 -0.000 0.000 0.248 78 I C 2.255 178.305 176.117 -0.111 0.000 1.111 78 I CA 1.572 62.820 61.300 -0.088 0.000 1.382 78 I CB -0.421 37.432 38.000 -0.245 0.000 1.060 78 I HN 0.368 nan 8.210 nan 0.000 0.418 79 F N 0.706 120.722 119.950 0.111 0.000 2.186 79 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 79 F C 2.369 178.226 175.800 0.094 0.000 1.090 79 F CA 1.504 59.564 58.000 0.100 0.000 1.307 79 F CB -0.943 38.105 39.000 0.080 0.000 1.019 79 F HN 0.116 nan 8.300 nan 0.000 0.489 80 D N 0.152 120.700 120.400 0.247 0.000 2.149 80 D HA -0.107 4.533 4.640 -0.000 0.000 0.201 80 D C 2.108 178.501 176.300 0.155 0.000 0.972 80 D CA 0.978 55.086 54.000 0.180 0.000 0.835 80 D CB -0.243 40.640 40.800 0.138 0.000 0.966 80 D HN 0.254 nan 8.370 nan 0.000 0.476 81 K N 0.296 120.773 120.400 0.128 0.000 2.097 81 K HA -0.039 4.281 4.320 -0.000 0.000 0.206 81 K C 2.261 178.920 176.600 0.097 0.000 1.049 81 K CA 0.576 56.925 56.287 0.103 0.000 0.933 81 K CB -0.065 32.491 32.500 0.093 0.000 0.717 81 K HN 0.157 nan 8.250 nan 0.000 0.442 82 L N 1.022 122.314 121.223 0.115 0.000 2.141 82 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 82 L C 1.752 178.682 176.870 0.099 0.000 1.094 82 L CA 0.935 55.838 54.840 0.106 0.000 0.763 82 L CB -0.415 41.736 42.059 0.153 0.000 0.908 82 L HN 0.171 nan 8.230 nan 0.000 0.437 83 D N 0.058 120.544 120.400 0.143 0.000 2.144 83 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 83 D C 1.721 178.113 176.300 0.152 0.000 0.978 83 D CA 1.106 55.199 54.000 0.155 0.000 0.833 83 D CB -0.066 40.854 40.800 0.200 0.000 0.961 83 D HN 0.305 nan 8.370 nan 0.000 0.470 84 D N -0.290 120.201 120.400 0.152 0.000 2.162 84 D HA -0.058 4.582 4.640 -0.000 0.000 0.203 84 D C 2.158 178.450 176.300 -0.014 0.000 0.967 84 D CA 0.368 54.435 54.000 0.112 0.000 0.840 84 D CB -0.441 40.446 40.800 0.144 0.000 0.972 84 D HN 0.191 nan 8.370 nan 0.000 0.482 85 C N 1.268 120.563 119.300 -0.008 0.000 2.422 85 C HA -0.026 4.434 4.460 -0.000 0.000 0.279 85 C C 2.886 177.833 174.990 -0.071 0.000 1.305 85 C CA 0.656 59.643 59.018 -0.052 0.000 1.757 85 C CB -0.956 26.758 27.740 -0.043 0.000 1.962 85 C HN 0.351 nan 8.230 nan 0.000 0.499 86 A N 0.294 123.083 122.820 -0.051 0.000 1.908 86 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 86 A C 2.293 179.829 177.584 -0.081 0.000 1.181 86 A CA 2.160 54.160 52.037 -0.063 0.000 0.627 86 A CB -0.739 18.241 19.000 -0.034 0.000 0.818 86 A HN 0.369 nan 8.150 nan 0.000 0.445 87 V N 0.365 120.201 119.914 -0.130 0.000 2.287 87 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 87 V C 2.436 178.448 176.094 -0.136 0.000 1.053 87 V CA 2.145 64.332 62.300 -0.188 0.000 1.027 87 V CB -0.691 30.891 31.823 -0.401 0.000 0.646 87 V HN 0.598 nan 8.190 nan 0.000 0.447 88 I N -0.108 120.376 120.570 -0.144 0.000 2.163 88 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 88 I C 2.639 178.707 176.117 -0.080 0.000 1.085 88 I CA 1.942 63.165 61.300 -0.129 0.000 1.347 88 I CB -0.476 37.446 38.000 -0.129 0.000 1.044 88 I HN 0.364 nan 8.210 nan 0.000 0.408 89 Q N 1.220 120.976 119.800 -0.074 0.000 2.079 89 Q HA -0.254 4.086 4.340 -0.000 0.000 0.200 89 Q C 2.140 178.123 176.000 -0.028 0.000 0.974 89 Q CA 1.765 57.533 55.803 -0.057 0.000 0.840 89 Q CB -0.410 28.276 28.738 -0.087 0.000 0.898 89 Q HN 0.477 nan 8.270 nan 0.000 0.430 90 Q N -0.594 119.195 119.800 -0.019 0.000 2.084 90 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 90 Q C 1.974 177.989 176.000 0.024 0.000 0.978 90 Q CA 1.657 57.478 55.803 0.029 0.000 0.844 90 Q CB -0.054 28.723 28.738 0.066 0.000 0.898 90 Q HN 0.520 nan 8.270 nan 0.000 0.426 91 L N -0.435 120.788 121.223 -0.001 0.000 2.131 91 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 91 L C 2.592 179.460 176.870 -0.002 0.000 1.087 91 L CA 1.536 56.375 54.840 -0.001 0.000 0.767 91 L CB -0.385 41.667 42.059 -0.011 0.000 0.917 91 L HN 0.373 nan 8.230 nan 0.000 0.441 92 T N -4.909 109.640 114.554 -0.007 0.000 3.040 92 T HA 0.044 4.394 4.350 -0.000 0.000 0.252 92 T C 1.146 175.871 174.700 0.042 0.000 1.064 92 T CA -0.315 61.789 62.100 0.007 0.000 1.110 92 T CB 0.213 69.079 68.868 -0.005 0.000 0.921 92 T HN 0.110 nan 8.240 nan 0.000 0.480 93 R N 0.334 120.861 120.500 0.044 0.000 3.875 93 R HA -0.156 4.184 4.340 -0.000 0.000 0.321 93 R C 0.901 177.310 176.300 0.182 0.000 1.196 93 R CA 0.891 57.041 56.100 0.083 0.000 0.868 93 R CB -2.428 27.930 30.300 0.097 0.000 1.333 93 R HN 0.715 nan 8.270 nan 0.000 0.522 94 A N -0.341 122.571 122.820 0.153 0.000 2.431 94 A HA 0.158 4.478 4.320 -0.000 0.000 0.239 94 A C 0.926 178.637 177.584 0.211 0.000 1.230 94 A CA 0.891 53.082 52.037 0.256 0.000 0.928 94 A CB 0.473 19.564 19.000 0.153 0.000 1.006 94 A HN 0.305 nan 8.150 nan 0.000 0.520 95 T N -2.526 112.068 114.554 0.066 0.000 3.514 95 T HA 0.338 4.688 4.350 -0.000 0.000 0.259 95 T C -1.841 172.795 174.700 -0.105 0.000 1.466 95 T CA -1.014 61.083 62.100 -0.004 0.000 1.562 95 T CB 0.918 69.774 68.868 -0.019 0.000 0.924 95 T HN 0.103 nan 8.240 nan 0.000 0.678 96 P HA 0.007 nan 4.420 nan 0.000 0.226 96 P C -0.240 176.905 177.300 -0.259 0.000 1.153 96 P CA 0.521 63.440 63.100 -0.302 0.000 0.777 96 P CB 0.224 31.592 31.700 -0.554 0.000 0.794 97 N N -0.338 118.244 118.700 -0.195 0.000 2.269 97 N HA 0.326 5.066 4.740 -0.000 0.000 0.304 97 N C -0.834 174.608 175.510 -0.113 0.000 1.072 97 N CA -0.617 52.329 53.050 -0.175 0.000 0.802 97 N CB 2.767 41.186 38.487 -0.114 0.000 1.348 97 N HN -0.245 nan 8.380 nan 0.000 0.484 98 V N 0.379 120.223 119.914 -0.117 0.000 2.581 98 V HA 0.400 4.520 4.120 -0.000 0.000 0.303 98 V C 0.274 176.446 176.094 0.130 0.000 1.041 98 V CA -0.706 61.587 62.300 -0.011 0.000 0.907 98 V CB 1.867 33.691 31.823 0.001 0.000 0.994 98 V HN 0.637 nan 8.190 nan 0.000 0.442 99 S N 4.265 120.032 115.700 0.110 0.000 2.422 99 S HA 0.643 5.113 4.470 -0.000 0.000 0.308 99 S C -0.555 174.248 174.600 0.339 0.000 1.097 99 S CA -0.556 57.773 58.200 0.215 0.000 1.099 99 S CB 0.069 63.385 63.200 0.193 0.000 0.976 99 S HN 0.527 nan 8.310 nan 0.000 0.471 100 L N 4.729 126.163 121.223 0.352 0.000 2.399 100 L HA 0.492 4.832 4.340 -0.000 0.000 0.266 100 L C 0.287 177.401 176.870 0.407 0.000 1.114 100 L CA -0.756 54.299 54.840 0.359 0.000 0.804 100 L CB 0.826 42.986 42.059 0.168 0.000 1.146 100 L HN 0.611 nan 8.230 nan 0.000 0.451 101 H N 3.307 122.602 119.070 0.375 0.000 2.589 101 H HA 0.473 5.029 4.556 -0.000 0.000 0.351 101 H C -1.047 174.324 175.328 0.071 0.000 1.074 101 H CA -0.568 55.593 56.048 0.188 0.000 1.203 101 H CB 1.879 31.767 29.762 0.209 0.000 1.558 101 H HN 0.231 nan 8.280 nan 0.000 0.522 102 I N 6.464 127.047 120.570 0.021 0.000 2.493 102 I HA 0.203 4.373 4.170 -0.000 0.000 0.298 102 I C -1.705 174.429 176.117 0.030 0.000 0.998 102 I CA -2.729 58.598 61.300 0.045 0.000 1.137 102 I CB 1.812 39.791 38.000 -0.035 0.000 1.310 102 I HN 0.461 nan 8.210 nan 0.000 0.445 103 P HA -0.027 nan 4.420 nan 0.000 0.249 103 P C 1.056 178.483 177.300 0.211 0.000 1.229 103 P CA 0.429 63.592 63.100 0.105 0.000 0.788 103 P CB 0.207 31.969 31.700 0.103 0.000 1.072 104 W N 1.978 123.356 121.300 0.129 0.000 2.318 104 W HA -0.110 4.550 4.660 -0.000 0.000 0.313 104 W C 0.995 177.571 176.519 0.095 0.000 1.221 104 W CA 1.181 58.591 57.345 0.108 0.000 1.266 104 W CB -1.682 27.856 29.460 0.130 0.000 1.150 104 W HN 0.117 nan 8.180 nan 0.000 0.496 105 D N -0.260 120.344 120.400 0.340 0.000 2.395 105 D HA 0.024 4.664 4.640 -0.000 0.000 0.226 105 D C 0.372 176.705 176.300 0.056 0.000 1.146 105 D CA 0.093 54.194 54.000 0.168 0.000 0.830 105 D CB -0.304 40.602 40.800 0.177 0.000 0.958 105 D HN 0.070 nan 8.370 nan 0.000 0.501 106 K N 1.198 121.646 120.400 0.080 0.000 2.451 106 K HA 0.329 4.649 4.320 -0.000 0.000 0.280 106 K C -0.402 176.209 176.600 0.018 0.000 1.020 106 K CA 0.051 56.359 56.287 0.035 0.000 1.008 106 K CB 0.422 32.954 32.500 0.054 0.000 0.917 106 K HN 0.089 nan 8.250 nan 0.000 0.478 107 A N 3.440 126.259 122.820 -0.001 0.000 2.515 107 A HA 0.156 4.476 4.320 -0.000 0.000 0.292 107 A C -1.700 175.911 177.584 0.045 0.000 1.065 107 A CA -0.892 51.168 52.037 0.038 0.000 0.641 107 A CB 0.633 19.623 19.000 -0.017 0.000 1.306 107 A HN 0.794 nan 8.150 nan 0.000 0.441 108 D N 0.779 121.243 120.400 0.107 0.000 2.451 108 D HA 0.320 4.960 4.640 -0.000 0.000 0.254 108 D C -1.491 174.848 176.300 0.064 0.000 1.204 108 D CA -0.738 53.311 54.000 0.082 0.000 0.896 108 D CB 0.839 41.700 40.800 0.102 0.000 1.136 108 D HN 0.111 nan 8.370 nan 0.000 0.499 109 P HA -0.211 nan 4.420 nan 0.000 0.217 109 P C 0.850 178.160 177.300 0.016 0.000 1.151 109 P CA 1.560 64.645 63.100 -0.024 0.000 0.849 109 P CB 0.171 31.851 31.700 -0.033 0.000 0.787 110 K N -0.302 120.124 120.400 0.043 0.000 2.057 110 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 110 K C 2.073 178.733 176.600 0.100 0.000 1.049 110 K CA 1.393 57.716 56.287 0.061 0.000 0.931 110 K CB -0.365 32.163 32.500 0.048 0.000 0.714 110 K HN 0.296 nan 8.250 nan 0.000 0.440 111 E N 0.989 121.272 120.200 0.139 0.000 2.047 111 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 111 E C 2.168 178.963 176.600 0.325 0.000 0.987 111 E CA 0.897 57.428 56.400 0.218 0.000 0.799 111 E CB -0.139 29.741 29.700 0.300 0.000 0.752 111 E HN 0.194 nan 8.360 nan 0.000 0.449 112 L N 0.979 122.364 121.223 0.270 0.000 1.990 112 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 112 L C 2.610 179.671 176.870 0.317 0.000 1.072 112 L CA 1.348 56.308 54.840 0.199 0.000 0.755 112 L CB -0.491 41.487 42.059 -0.134 0.000 0.889 112 L HN 0.047 nan 8.230 nan 0.000 0.432 113 K N 0.367 120.897 120.400 0.216 0.000 2.032 113 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 113 K C 2.025 178.768 176.600 0.238 0.000 1.048 113 K CA 1.697 58.167 56.287 0.304 0.000 0.927 113 K CB -0.498 32.103 32.500 0.167 0.000 0.712 113 K HN 0.265 nan 8.250 nan 0.000 0.441 114 A N 0.661 123.587 122.820 0.176 0.000 1.865 114 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 114 A C 2.227 179.891 177.584 0.132 0.000 1.191 114 A CA 2.110 54.222 52.037 0.125 0.000 0.623 114 A CB -0.682 18.376 19.000 0.096 0.000 0.826 114 A HN 0.321 nan 8.150 nan 0.000 0.444 115 R N -0.051 120.570 120.500 0.202 0.000 2.081 115 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 115 R C 2.176 178.561 176.300 0.143 0.000 1.131 115 R CA 1.891 58.110 56.100 0.199 0.000 0.960 115 R CB -1.384 29.134 30.300 0.363 0.000 0.856 115 R HN 0.429 nan 8.270 nan 0.000 0.436 116 G N 0.139 109.047 108.800 0.179 0.000 2.418 116 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 116 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 116 G C 0.999 175.867 174.900 -0.053 0.000 1.158 116 G CA 0.970 46.068 45.100 -0.004 0.000 0.771 116 G HN 0.343 nan 8.290 nan 0.000 0.545 117 D N 1.095 121.501 120.400 0.011 0.000 2.144 117 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 117 D C 2.798 179.074 176.300 -0.040 0.000 0.984 117 D CA 1.186 55.175 54.000 -0.018 0.000 0.834 117 D CB -0.331 40.479 40.800 0.016 0.000 0.955 117 D HN 0.329 nan 8.370 nan 0.000 0.465 118 A N 0.648 123.456 122.820 -0.020 0.000 1.930 118 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 118 A C 2.264 179.796 177.584 -0.087 0.000 1.175 118 A CA 0.724 52.735 52.037 -0.044 0.000 0.627 118 A CB -0.524 18.467 19.000 -0.015 0.000 0.815 118 A HN 0.197 nan 8.150 nan 0.000 0.443 119 L N -1.311 119.869 121.223 -0.071 0.000 2.558 119 L HA 0.212 4.552 4.340 -0.000 0.000 0.225 119 L C 1.485 178.273 176.870 -0.136 0.000 1.128 119 L CA 0.473 55.255 54.840 -0.098 0.000 0.868 119 L CB -0.210 41.819 42.059 -0.050 0.000 1.006 119 L HN 0.558 nan 8.230 nan 0.000 0.454 120 G N 1.175 109.893 108.800 -0.136 0.000 2.212 120 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.255 120 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.255 120 G C -0.214 174.580 174.900 -0.177 0.000 1.062 120 G CA -0.111 44.900 45.100 -0.148 0.000 0.815 120 G HN 0.222 nan 8.290 nan 0.000 0.497 121 L N -0.402 120.693 121.223 -0.213 0.000 2.362 121 L HA 0.823 5.163 4.340 -0.000 0.000 0.271 121 L C 0.981 177.580 176.870 -0.452 0.000 1.002 121 L CA -0.569 54.086 54.840 -0.309 0.000 0.818 121 L CB 2.045 43.915 42.059 -0.315 0.000 1.298 121 L HN 0.244 nan 8.230 nan 0.000 0.420 122 G N 0.524 109.044 108.800 -0.467 0.000 2.705 122 G HA2 0.722 4.682 3.960 -0.000 0.000 0.299 122 G HA3 0.722 4.682 3.960 -0.000 0.000 0.299 122 G C -1.532 172.950 174.900 -0.698 0.000 1.315 122 G CA -0.366 44.450 45.100 -0.475 0.000 1.045 122 G HN 0.256 nan 8.290 nan 0.000 0.517 123 F N -0.013 119.919 119.950 -0.030 0.000 2.518 123 F HA 0.366 4.893 4.527 -0.000 0.000 0.323 123 F C 0.377 176.158 175.800 -0.032 0.000 1.129 123 F CA -0.927 57.063 58.000 -0.016 0.000 0.920 123 F CB 2.148 41.150 39.000 0.004 0.000 1.160 123 F HN 0.373 nan 8.300 nan 0.000 0.440 124 D N 1.277 121.769 120.400 0.154 0.000 2.399 124 D HA 0.499 5.139 4.640 -0.000 0.000 0.288 124 D C -0.051 176.292 176.300 0.072 0.000 1.197 124 D CA -0.224 53.824 54.000 0.081 0.000 1.081 124 D CB 1.227 42.080 40.800 0.087 0.000 1.139 124 D HN 0.597 nan 8.370 nan 0.000 0.554 125 A N 0.657 123.525 122.820 0.081 0.000 2.540 125 A HA 0.159 4.479 4.320 -0.000 0.000 0.239 125 A C 0.574 178.228 177.584 0.116 0.000 1.061 125 A CA 0.101 52.177 52.037 0.064 0.000 0.758 125 A CB 0.024 19.150 19.000 0.211 0.000 0.991 125 A HN 0.404 nan 8.150 nan 0.000 0.502 126 M N 2.306 121.945 119.600 0.064 0.000 2.241 126 M HA 0.199 4.679 4.480 -0.000 0.000 0.335 126 M C 0.018 176.354 176.300 0.061 0.000 1.122 126 M CA 0.167 55.518 55.300 0.086 0.000 1.164 126 M CB 0.233 32.897 32.600 0.107 0.000 1.459 126 M HN 0.659 nan 8.290 nan 0.000 0.461 127 N N 1.077 119.748 118.700 -0.048 0.000 2.399 127 N HA 0.325 5.065 4.740 -0.000 0.000 0.280 127 N C -0.894 174.360 175.510 -0.427 0.000 1.008 127 N CA -0.237 52.657 53.050 -0.260 0.000 0.894 127 N CB 1.816 39.990 38.487 -0.523 0.000 1.273 127 N HN 0.612 nan 8.380 nan 0.000 0.486 128 S N 1.488 117.066 115.700 -0.203 0.000 2.610 128 S HA 0.339 4.809 4.470 -0.000 0.000 0.273 128 S C -0.042 174.527 174.600 -0.051 0.000 1.274 128 S CA -0.775 57.413 58.200 -0.020 0.000 1.023 128 S CB 1.630 64.876 63.200 0.077 0.000 0.962 128 S HN 0.531 nan 8.310 nan 0.000 0.523 129 N N 1.019 119.691 118.700 -0.046 0.000 2.623 129 N HA 0.253 4.993 4.740 -0.000 0.000 0.256 129 N C -0.526 174.516 175.510 -0.779 0.000 1.045 129 N CA -0.390 52.316 53.050 -0.573 0.000 0.863 129 N CB 1.294 39.333 38.487 -0.747 0.000 1.182 129 N HN 0.861 nan 8.380 nan 0.000 0.523 130 T N 0.031 114.180 114.554 -0.675 0.000 3.380 130 T HA 0.214 4.564 4.350 -0.000 0.000 0.289 130 T C 0.382 174.723 174.700 -0.599 0.000 1.012 130 T CA -0.484 61.099 62.100 -0.863 0.000 0.944 130 T CB -1.170 67.085 68.868 -1.021 0.000 1.172 130 T HN 0.266 nan 8.240 nan 0.000 0.502 131 F N 0.525 120.330 119.950 -0.242 0.000 2.683 131 F HA 0.684 5.211 4.527 -0.000 0.000 0.306 131 F C 0.064 175.875 175.800 0.019 0.000 1.102 131 F CA -1.168 56.743 58.000 -0.147 0.000 1.244 131 F CB -0.232 38.651 39.000 -0.195 0.000 1.029 131 F HN 0.296 nan 8.300 nan 0.000 0.545 132 S N -1.353 114.316 115.700 -0.052 0.000 2.565 132 S HA 0.476 4.946 4.470 -0.000 0.000 0.269 132 S C -1.774 172.853 174.600 0.045 0.000 1.153 132 S CA -0.944 57.289 58.200 0.054 0.000 0.835 132 S CB 2.041 65.274 63.200 0.054 0.000 1.122 132 S HN 0.022 nan 8.310 nan 0.000 0.462 133 D N 1.218 121.634 120.400 0.026 0.000 2.177 133 D HA 0.696 5.336 4.640 -0.000 0.000 0.247 133 D C 0.003 176.282 176.300 -0.035 0.000 1.063 133 D CA 0.002 53.971 54.000 -0.052 0.000 0.867 133 D CB 1.750 42.500 40.800 -0.083 0.000 1.168 133 D HN 0.862 nan 8.370 nan 0.000 0.445 134 A N 2.848 125.631 122.820 -0.062 0.000 2.306 134 A HA 0.654 4.974 4.320 -0.000 0.000 0.330 134 A C -2.374 175.190 177.584 -0.033 0.000 1.146 134 A CA -1.439 50.584 52.037 -0.023 0.000 0.827 134 A CB 0.385 19.374 19.000 -0.018 0.000 1.178 134 A HN 0.315 nan 8.150 nan 0.000 0.490 135 P HA 0.253 nan 4.420 nan 0.000 0.264 135 P C 0.963 178.245 177.300 -0.031 0.000 1.183 135 P CA 1.995 65.086 63.100 -0.015 0.000 0.763 135 P CB 0.524 32.226 31.700 0.005 0.000 0.807 136 G N 1.394 110.168 108.800 -0.045 0.000 2.155 136 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 136 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 136 G C 0.264 175.113 174.900 -0.086 0.000 0.983 136 G CA -0.019 45.047 45.100 -0.057 0.000 0.676 136 G HN 0.667 nan 8.290 nan 0.000 0.528 137 Q N -0.158 119.576 119.800 -0.109 0.000 2.311 137 Q HA 0.596 4.936 4.340 -0.000 0.000 0.272 137 Q C 1.697 177.572 176.000 -0.209 0.000 1.012 137 Q CA 0.515 56.221 55.803 -0.160 0.000 0.891 137 Q CB 0.773 29.386 28.738 -0.209 0.000 1.201 137 Q HN 0.619 nan 8.270 nan 0.000 0.391 138 A N 4.993 127.661 122.820 -0.254 0.000 1.872 138 A HA -0.055 4.265 4.320 -0.000 0.000 0.214 138 A C 0.208 177.424 177.584 -0.614 0.000 1.187 138 A CA 0.987 52.773 52.037 -0.418 0.000 0.614 138 A CB 0.015 18.740 19.000 -0.459 0.000 0.826 138 A HN 0.791 nan 8.150 nan 0.000 0.442 139 H N -0.567 118.367 119.070 -0.228 0.000 2.529 139 H HA 0.418 4.974 4.556 -0.000 0.000 0.348 139 H C -0.636 174.436 175.328 -0.426 0.000 1.079 139 H CA -0.514 55.374 56.048 -0.267 0.000 1.198 139 H CB 1.516 31.128 29.762 -0.251 0.000 1.521 139 H HN 0.257 nan 8.280 nan 0.000 0.514 140 S N 1.785 117.370 115.700 -0.192 0.000 2.580 140 S HA 0.064 4.534 4.470 -0.000 0.000 0.274 140 S C 0.125 174.623 174.600 -0.169 0.000 1.329 140 S CA -0.344 57.715 58.200 -0.235 0.000 1.036 140 S CB 0.257 63.401 63.200 -0.094 0.000 0.919 140 S HN 0.448 nan 8.310 nan 0.000 0.515 141 Y N 2.626 122.923 120.300 -0.005 0.000 2.532 141 Y HA 0.304 4.854 4.550 -0.000 0.000 0.283 141 Y C 1.778 177.695 175.900 0.027 0.000 1.181 141 Y CA -0.533 57.590 58.100 0.038 0.000 1.256 141 Y CB -0.499 37.946 38.460 -0.025 0.000 1.112 141 Y HN 0.733 nan 8.280 nan 0.000 0.521 142 K N 0.055 120.485 120.400 0.049 0.000 2.089 142 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 142 K C 0.220 176.671 176.600 -0.250 0.000 1.048 142 K CA 1.935 58.103 56.287 -0.199 0.000 0.926 142 K CB -0.173 32.034 32.500 -0.488 0.000 0.714 142 K HN 0.307 nan 8.250 nan 0.000 0.448 143 Y N -0.152 120.253 120.300 0.176 0.000 2.625 143 Y HA 0.349 4.899 4.550 0.000 0.000 0.285 143 Y C 0.598 176.472 175.900 -0.042 0.000 1.168 143 Y CA 0.119 58.229 58.100 0.017 0.000 1.250 143 Y CB 0.950 39.340 38.460 -0.118 0.000 1.130 143 Y HN 0.313 nan 8.280 nan 0.000 0.526 144 G N -0.604 108.345 108.800 0.247 0.000 2.371 144 G HA2 0.181 4.141 3.960 -0.000 0.000 0.663 144 G HA3 0.181 4.141 3.960 -0.000 0.000 0.663 144 G C 0.026 175.131 174.900 0.341 0.000 1.311 144 G CA -0.246 44.973 45.100 0.199 0.000 0.985 144 G HN 0.308 nan 8.290 nan 0.000 0.566 145 S N -1.230 114.545 115.700 0.126 0.000 4.163 145 S HA 0.351 4.821 4.470 -0.000 0.000 0.164 145 S C 2.038 176.656 174.600 0.031 0.000 0.896 145 S CA 0.576 58.761 58.200 -0.024 0.000 1.125 145 S CB -0.221 62.621 63.200 -0.597 0.000 1.698 145 S HN 0.900 nan 8.310 nan 0.000 0.817 146 L N 2.825 124.021 121.223 -0.045 0.000 2.265 146 L HA 0.045 4.385 4.340 -0.000 0.000 0.215 146 L C 2.186 179.091 176.870 0.059 0.000 1.117 146 L CA 1.493 56.316 54.840 -0.028 0.000 0.782 146 L CB -0.508 41.485 42.059 -0.110 0.000 0.914 146 L HN 0.703 nan 8.230 nan 0.000 0.441 147 S N -3.260 112.523 115.700 0.140 0.000 2.578 147 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 147 S C 0.718 175.405 174.600 0.145 0.000 0.994 147 S CA -0.597 57.702 58.200 0.164 0.000 0.956 147 S CB -0.298 63.028 63.200 0.209 0.000 0.870 147 S HN 0.298 nan 8.310 nan 0.000 0.494 148 H N 2.837 121.951 119.070 0.074 0.000 2.948 148 H HA 0.044 4.600 4.556 -0.000 0.000 0.351 148 H C 1.626 176.987 175.328 0.055 0.000 1.079 148 H CA 1.717 57.818 56.048 0.087 0.000 1.407 148 H CB 1.424 31.252 29.762 0.110 0.000 1.373 148 H HN 0.463 nan 8.280 nan 0.000 0.605 149 T N 0.858 115.467 114.554 0.092 0.000 2.995 149 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 149 T C 0.899 175.707 174.700 0.180 0.000 1.091 149 T CA 0.473 62.634 62.100 0.102 0.000 1.128 149 T CB -0.048 68.820 68.868 -0.001 0.000 0.891 149 T HN 0.434 nan 8.240 nan 0.000 0.492 150 N N 1.014 119.947 118.700 0.389 0.000 2.408 150 N HA 0.536 5.276 4.740 -0.000 0.000 0.257 150 N C 1.157 176.663 175.510 -0.007 0.000 1.064 150 N CA 0.304 53.425 53.050 0.119 0.000 0.952 150 N CB 1.086 39.580 38.487 0.012 0.000 1.093 150 N HN 0.197 nan 8.380 nan 0.000 0.490 151 A N 4.104 126.904 122.820 -0.032 0.000 1.917 151 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 151 A C 2.115 179.631 177.584 -0.112 0.000 1.182 151 A CA 2.066 54.072 52.037 -0.052 0.000 0.633 151 A CB -1.267 17.708 19.000 -0.041 0.000 0.819 151 A HN 0.791 nan 8.150 nan 0.000 0.448 152 A N -1.207 121.492 122.820 -0.201 0.000 1.940 152 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 152 A C 2.286 179.641 177.584 -0.382 0.000 1.176 152 A CA 2.320 54.173 52.037 -0.306 0.000 0.631 152 A CB -1.212 17.503 19.000 -0.475 0.000 0.814 152 A HN 0.463 nan 8.150 nan 0.000 0.446 153 T N -0.394 113.889 114.554 -0.451 0.000 2.821 153 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 153 T C 2.042 176.715 174.700 -0.044 0.000 1.046 153 T CA 1.381 63.297 62.100 -0.306 0.000 1.139 153 T CB -0.202 68.327 68.868 -0.564 0.000 0.871 153 T HN 0.524 nan 8.240 nan 0.000 0.454 154 R N 1.108 121.586 120.500 -0.037 0.000 2.075 154 R HA 0.084 4.424 4.340 -0.000 0.000 0.232 154 R C 2.886 179.184 176.300 -0.003 0.000 1.126 154 R CA 1.222 57.328 56.100 0.010 0.000 0.963 154 R CB -0.537 29.767 30.300 0.007 0.000 0.858 154 R HN 0.353 nan 8.270 nan 0.000 0.435 155 A N 1.342 124.147 122.820 -0.024 0.000 1.908 155 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 155 A C 2.151 179.747 177.584 0.019 0.000 1.181 155 A CA 1.576 53.604 52.037 -0.015 0.000 0.627 155 A CB -0.582 18.402 19.000 -0.026 0.000 0.818 155 A HN 0.408 nan 8.150 nan 0.000 0.445 156 Q N -0.581 119.247 119.800 0.047 0.000 2.084 156 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 156 Q C 2.183 178.272 176.000 0.150 0.000 0.978 156 Q CA 1.641 57.507 55.803 0.105 0.000 0.844 156 Q CB -0.348 28.475 28.738 0.140 0.000 0.898 156 Q HN 0.600 nan 8.270 nan 0.000 0.426 157 A N 0.017 122.930 122.820 0.155 0.000 1.902 157 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 157 A C 2.214 179.826 177.584 0.047 0.000 1.181 157 A CA 1.480 53.565 52.037 0.080 0.000 0.623 157 A CB -0.721 18.242 19.000 -0.062 0.000 0.818 157 A HN 0.307 nan 8.150 nan 0.000 0.443 158 V N 0.113 120.034 119.914 0.012 0.000 2.295 158 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 158 V C 2.642 178.733 176.094 -0.005 0.000 1.049 158 V CA 2.441 64.730 62.300 -0.018 0.000 1.024 158 V CB -0.723 31.078 31.823 -0.036 0.000 0.648 158 V HN 0.693 nan 8.190 nan 0.000 0.447 159 E N -0.008 120.202 120.200 0.017 0.000 2.085 159 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 159 E C 2.234 178.842 176.600 0.012 0.000 0.994 159 E CA 1.801 58.205 56.400 0.007 0.000 0.801 159 E CB -0.556 29.158 29.700 0.023 0.000 0.743 159 E HN 0.746 nan 8.360 nan 0.000 0.453 160 H N 0.192 119.248 119.070 -0.024 0.000 2.352 160 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 160 H C 1.695 176.986 175.328 -0.062 0.000 1.097 160 H CA 1.746 57.774 56.048 -0.033 0.000 1.311 160 H CB -0.021 29.733 29.762 -0.013 0.000 1.377 160 H HN 0.197 nan 8.280 nan 0.000 0.504 161 N N 0.620 119.277 118.700 -0.072 0.000 2.166 161 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 161 N C 2.356 177.766 175.510 -0.167 0.000 1.019 161 N CA 0.908 53.880 53.050 -0.130 0.000 0.856 161 N CB -0.031 38.431 38.487 -0.043 0.000 0.993 161 N HN 0.382 nan 8.380 nan 0.000 0.426 162 L N 1.173 122.312 121.223 -0.140 0.000 2.093 162 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 162 L C 2.459 179.219 176.870 -0.183 0.000 1.085 162 L CA 0.998 55.745 54.840 -0.156 0.000 0.755 162 L CB -0.348 41.638 42.059 -0.121 0.000 0.904 162 L HN 0.217 nan 8.230 nan 0.000 0.435 163 E N -0.234 119.853 120.200 -0.188 0.000 2.106 163 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 163 E C 2.320 178.795 176.600 -0.208 0.000 0.984 163 E CA 1.416 57.705 56.400 -0.185 0.000 0.806 163 E CB 0.030 29.624 29.700 -0.177 0.000 0.750 163 E HN 0.540 nan 8.360 nan 0.000 0.458 164 C N 0.452 119.590 119.300 -0.271 0.000 2.425 164 C HA -0.090 4.370 4.460 -0.000 0.000 0.277 164 C C 2.519 177.449 174.990 -0.099 0.000 1.280 164 C CA 0.396 59.292 59.018 -0.203 0.000 1.744 164 C CB -0.834 26.769 27.740 -0.229 0.000 1.989 164 C HN 0.497 nan 8.230 nan 0.000 0.491 165 I N 0.689 121.163 120.570 -0.161 0.000 2.315 165 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 165 I C 2.562 178.478 176.117 -0.334 0.000 1.117 165 I CA 1.275 62.387 61.300 -0.313 0.000 1.404 165 I CB -0.585 37.120 38.000 -0.491 0.000 1.071 165 I HN 0.338 nan 8.210 nan 0.000 0.419 166 E N 0.814 120.871 120.200 -0.239 0.000 2.072 166 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 166 E C 2.314 178.849 176.600 -0.108 0.000 0.985 166 E CA 1.146 57.435 56.400 -0.184 0.000 0.801 166 E CB -0.114 29.497 29.700 -0.148 0.000 0.750 166 E HN 0.414 nan 8.360 nan 0.000 0.452 167 I N 0.551 121.069 120.570 -0.086 0.000 2.252 167 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 167 I C 2.437 178.546 176.117 -0.014 0.000 1.102 167 I CA 1.353 62.617 61.300 -0.060 0.000 1.385 167 I CB -1.665 36.290 38.000 -0.075 0.000 1.064 167 I HN 0.075 nan 8.210 nan 0.000 0.414 168 G N 1.123 109.974 108.800 0.084 0.000 2.422 168 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 168 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 168 G C 1.798 176.904 174.900 0.344 0.000 1.146 168 G CA 0.427 45.687 45.100 0.267 0.000 0.769 168 G HN 0.362 nan 8.290 nan 0.000 0.547 169 K N 0.560 121.111 120.400 0.250 0.000 2.057 169 K HA 0.049 4.369 4.320 -0.000 0.000 0.207 169 K C 2.889 179.553 176.600 0.106 0.000 1.049 169 K CA 0.980 57.384 56.287 0.194 0.000 0.931 169 K CB -0.196 32.268 32.500 -0.060 0.000 0.714 169 K HN 0.274 nan 8.250 nan 0.000 0.440 170 A N 1.779 124.622 122.820 0.038 0.000 2.015 170 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 170 A C 2.013 179.610 177.584 0.023 0.000 1.163 170 A CA 1.107 53.154 52.037 0.016 0.000 0.646 170 A CB -0.578 18.413 19.000 -0.015 0.000 0.806 170 A HN 0.478 nan 8.150 nan 0.000 0.448 171 I N -5.835 114.739 120.570 0.007 0.000 3.968 171 I HA 0.504 4.674 4.170 -0.000 0.000 0.328 171 I C 1.133 177.333 176.117 0.139 0.000 1.290 171 I CA 0.688 61.978 61.300 -0.017 0.000 1.163 171 I CB 0.352 38.141 38.000 -0.353 0.000 1.024 171 I HN 0.314 nan 8.210 nan 0.000 0.413 172 G N 1.426 110.310 108.800 0.141 0.000 2.163 172 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.213 172 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.213 172 G C 0.292 175.255 174.900 0.105 0.000 0.991 172 G CA 0.198 45.387 45.100 0.148 0.000 0.653 172 G HN 0.521 nan 8.290 nan 0.000 0.518 173 S N -0.327 115.432 115.700 0.098 0.000 2.603 173 S HA 0.627 5.097 4.470 -0.000 0.000 0.268 173 S C 0.961 175.259 174.600 -0.505 0.000 1.317 173 S CA 0.192 58.330 58.200 -0.104 0.000 1.012 173 S CB 0.802 63.969 63.200 -0.055 0.000 0.926 173 S HN 0.183 nan 8.310 nan 0.000 0.539 174 K N 1.210 121.023 120.400 -0.979 0.000 2.564 174 K HA 0.458 4.778 4.320 -0.000 0.000 0.201 174 K C -0.541 174.964 176.600 -1.825 0.000 1.086 174 K CA -0.009 55.286 56.287 -1.653 0.000 1.062 174 K CB 0.804 32.883 32.500 -0.702 0.000 0.849 174 K HN 0.588 nan 8.250 nan 0.000 0.529 175 A N 0.725 122.566 122.820 -1.633 0.000 2.612 175 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 175 A C -2.079 175.291 177.584 -0.357 0.000 1.075 175 A CA -0.720 50.815 52.037 -0.837 0.000 0.680 175 A CB 1.354 19.995 19.000 -0.597 0.000 1.279 175 A HN 0.087 nan 8.150 nan 0.000 0.411 176 L N 0.705 121.867 121.223 -0.101 0.000 2.381 176 L HA 0.781 5.121 4.340 -0.000 0.000 0.274 176 L C -0.558 176.343 176.870 0.051 0.000 0.988 176 L CA 0.261 55.144 54.840 0.071 0.000 0.824 176 L CB 2.118 44.267 42.059 0.150 0.000 1.263 176 L HN 0.643 nan 8.230 nan 0.000 0.410 177 T N 4.556 119.197 114.554 0.145 0.000 2.767 177 T HA 0.568 4.918 4.350 -0.000 0.000 0.284 177 T C -0.630 174.176 174.700 0.178 0.000 0.973 177 T CA -0.316 61.925 62.100 0.234 0.000 0.996 177 T CB 1.246 70.297 68.868 0.304 0.000 0.927 177 T HN 0.361 nan 8.240 nan 0.000 0.456 178 V N 4.553 124.584 119.914 0.195 0.000 2.313 178 V HA 0.436 4.556 4.120 -0.000 0.000 0.278 178 V C -0.893 175.350 176.094 0.249 0.000 1.017 178 V CA -0.952 61.454 62.300 0.177 0.000 0.823 178 V CB 0.729 32.626 31.823 0.124 0.000 1.010 178 V HN 0.911 nan 8.190 nan 0.000 0.443 179 W N 8.455 129.823 121.300 0.113 0.000 2.538 179 W HA 0.799 5.459 4.660 -0.000 0.000 0.322 179 W C -0.755 175.838 176.519 0.124 0.000 1.028 179 W CA -0.882 56.521 57.345 0.098 0.000 1.228 179 W CB 1.268 30.772 29.460 0.073 0.000 1.356 179 W HN 0.586 nan 8.180 nan 0.000 0.452 180 I N 2.874 122.843 120.570 -1.001 0.000 2.846 180 I HA 0.798 4.968 4.170 -0.000 0.000 0.307 180 I C 0.829 176.148 176.117 -1.330 0.000 1.053 180 I CA -1.159 59.580 61.300 -0.935 0.000 1.050 180 I CB 2.114 39.896 38.000 -0.362 0.000 1.239 180 I HN 0.645 nan 8.210 nan 0.000 0.439 181 G N 1.294 109.566 108.800 -0.880 0.000 3.042 181 G HA2 0.030 3.990 3.960 -0.000 0.000 0.212 181 G HA3 0.030 3.990 3.960 -0.000 0.000 0.212 181 G C 0.028 174.747 174.900 -0.301 0.000 1.166 181 G CA -0.130 44.626 45.100 -0.574 0.000 0.767 181 G HN 0.740 nan 8.290 nan 0.000 0.546 182 D N 0.997 121.246 120.400 -0.251 0.000 2.772 182 D HA 0.389 5.029 4.640 -0.000 0.000 0.227 182 D C 0.910 177.151 176.300 -0.099 0.000 1.114 182 D CA 1.807 55.737 54.000 -0.116 0.000 0.832 182 D CB 0.601 41.365 40.800 -0.061 0.000 1.154 182 D HN 0.378 nan 8.370 nan 0.000 0.514 183 G N 0.225 109.003 108.800 -0.037 0.000 2.348 183 G HA2 0.540 4.499 3.960 -0.000 0.000 0.296 183 G HA3 0.540 4.499 3.960 -0.000 0.000 0.296 183 G C -1.359 173.580 174.900 0.065 0.000 1.258 183 G CA -0.246 44.849 45.100 -0.008 0.000 0.868 183 G HN 0.671 nan 8.290 nan 0.000 0.488 184 S N -1.265 114.503 115.700 0.113 0.000 2.595 184 S HA 0.643 5.113 4.470 -0.000 0.000 0.281 184 S C -0.295 174.422 174.600 0.194 0.000 1.117 184 S CA -0.754 57.565 58.200 0.198 0.000 0.873 184 S CB 2.275 65.655 63.200 0.300 0.000 1.108 184 S HN 0.391 nan 8.310 nan 0.000 0.477 185 N N -0.451 118.329 118.700 0.133 0.000 2.220 185 N HA 0.414 5.154 4.740 -0.000 0.000 0.195 185 N C -1.405 173.779 175.510 -0.545 0.000 1.123 185 N CA 0.228 53.196 53.050 -0.137 0.000 0.874 185 N CB 0.049 38.384 38.487 -0.254 0.000 0.995 185 N HN 0.591 nan 8.380 nan 0.000 0.498 186 F N -0.051 119.971 119.950 0.120 0.000 2.578 186 F HA 0.463 4.990 4.527 -0.000 0.000 0.311 186 F C -2.265 173.326 175.800 -0.349 0.000 1.094 186 F CA -2.506 55.422 58.000 -0.121 0.000 0.923 186 F CB 1.875 40.839 39.000 -0.061 0.000 1.230 186 F HN -0.300 nan 8.300 nan 0.000 0.450 187 P HA 0.228 nan 4.420 nan 0.000 0.268 187 P C 0.684 177.882 177.300 -0.170 0.000 1.205 187 P CA 1.204 63.963 63.100 -0.569 0.000 0.771 187 P CB 0.788 32.190 31.700 -0.496 0.000 0.858 188 G N 2.203 110.922 108.800 -0.136 0.000 2.320 188 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.242 188 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.242 188 G C 1.319 176.173 174.900 -0.075 0.000 1.033 188 G CA 0.545 45.575 45.100 -0.115 0.000 0.620 188 G HN 0.571 nan 8.290 nan 0.000 0.517 189 Q N 0.673 120.470 119.800 -0.004 0.000 2.112 189 Q HA 0.034 4.374 4.340 -0.000 0.000 0.206 189 Q C 0.876 176.874 176.000 -0.002 0.000 0.987 189 Q CA 1.849 57.671 55.803 0.031 0.000 0.858 189 Q CB -0.112 28.722 28.738 0.161 0.000 0.905 189 Q HN 0.569 nan 8.270 nan 0.000 0.420 190 S N 0.702 116.404 115.700 0.003 0.000 2.536 190 S HA 0.300 4.770 4.470 -0.000 0.000 0.298 190 S C -0.873 173.641 174.600 -0.143 0.000 1.083 190 S CA -0.921 57.270 58.200 -0.015 0.000 0.995 190 S CB 1.574 64.829 63.200 0.092 0.000 1.058 190 S HN 0.327 nan 8.310 nan 0.000 0.488 191 N N 1.839 120.482 118.700 -0.096 0.000 2.420 191 N HA 0.163 4.903 4.740 -0.000 0.000 0.249 191 N C 0.317 175.822 175.510 -0.009 0.000 1.033 191 N CA -0.334 52.632 53.050 -0.140 0.000 0.944 191 N CB 0.169 38.621 38.487 -0.058 0.000 1.113 191 N HN 0.376 nan 8.380 nan 0.000 0.502 192 F N 2.176 122.151 119.950 0.041 0.000 2.063 192 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 192 F C 2.467 178.301 175.800 0.057 0.000 1.109 192 F CA 1.271 59.284 58.000 0.022 0.000 1.212 192 F CB -1.235 37.759 39.000 -0.011 0.000 0.973 192 F HN 0.431 nan 8.300 nan 0.000 0.480 193 T N -0.050 114.660 114.554 0.261 0.000 2.737 193 T HA -0.152 4.198 4.350 -0.000 0.000 0.265 193 T C 2.111 176.919 174.700 0.180 0.000 1.038 193 T CA 1.428 63.657 62.100 0.214 0.000 1.144 193 T CB -0.242 68.713 68.868 0.146 0.000 0.866 193 T HN 0.171 nan 8.240 nan 0.000 0.434 194 R N 0.944 121.515 120.500 0.118 0.000 2.096 194 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 194 R C 2.802 179.167 176.300 0.109 0.000 1.127 194 R CA 1.235 57.385 56.100 0.083 0.000 0.968 194 R CB -0.448 29.878 30.300 0.043 0.000 0.861 194 R HN 0.353 nan 8.270 nan 0.000 0.440 195 A N 0.866 123.770 122.820 0.141 0.000 1.902 195 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 195 A C 1.928 179.656 177.584 0.241 0.000 1.181 195 A CA 1.064 53.196 52.037 0.159 0.000 0.623 195 A CB -0.597 18.495 19.000 0.154 0.000 0.818 195 A HN 0.318 nan 8.150 nan 0.000 0.443 196 F N 1.191 121.181 119.950 0.067 0.000 2.134 196 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 196 F C 2.146 178.010 175.800 0.107 0.000 1.097 196 F CA 1.806 59.840 58.000 0.057 0.000 1.264 196 F CB -0.598 38.406 39.000 0.007 0.000 1.001 196 F HN 0.407 nan 8.300 nan 0.000 0.479 197 E N -0.200 120.025 120.200 0.042 0.000 2.085 197 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 197 E C 2.349 178.921 176.600 -0.047 0.000 0.994 197 E CA 1.326 57.677 56.400 -0.082 0.000 0.801 197 E CB -0.220 29.468 29.700 -0.020 0.000 0.743 197 E HN 0.421 nan 8.360 nan 0.000 0.453 198 R N -0.054 120.466 120.500 0.033 0.000 2.081 198 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 198 R C 2.381 178.703 176.300 0.036 0.000 1.131 198 R CA 1.515 57.635 56.100 0.033 0.000 0.960 198 R CB -0.524 29.817 30.300 0.068 0.000 0.856 198 R HN 0.282 nan 8.270 nan 0.000 0.436 199 Y N 1.814 122.098 120.300 -0.026 0.000 2.128 199 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 199 Y C 2.031 177.873 175.900 -0.097 0.000 1.154 199 Y CA 1.563 59.649 58.100 -0.023 0.000 1.149 199 Y CB -0.367 38.139 38.460 0.076 0.000 0.976 199 Y HN -0.055 nan 8.280 nan 0.000 0.505 200 L N -0.779 120.406 121.223 -0.062 0.000 2.042 200 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 200 L C 2.851 179.594 176.870 -0.211 0.000 1.076 200 L CA 1.728 56.444 54.840 -0.207 0.000 0.749 200 L CB -0.893 40.962 42.059 -0.340 0.000 0.893 200 L HN 0.281 nan 8.230 nan 0.000 0.432 201 S N -0.470 115.132 115.700 -0.163 0.000 2.368 201 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 201 S C 2.105 176.622 174.600 -0.139 0.000 1.030 201 S CA 1.234 59.355 58.200 -0.131 0.000 0.999 201 S CB -0.063 63.083 63.200 -0.091 0.000 0.844 201 S HN 0.438 nan 8.310 nan 0.000 0.459 202 A N 1.914 124.635 122.820 -0.164 0.000 1.873 202 A HA 0.022 4.342 4.320 -0.000 0.000 0.215 202 A C 2.271 179.733 177.584 -0.203 0.000 1.186 202 A CA 1.578 53.516 52.037 -0.166 0.000 0.616 202 A CB -0.627 18.271 19.000 -0.169 0.000 0.823 202 A HN 0.542 nan 8.150 nan 0.000 0.442 203 M N -0.276 119.130 119.600 -0.324 0.000 2.267 203 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 203 M C 2.413 178.641 176.300 -0.119 0.000 1.063 203 M CA 1.433 56.568 55.300 -0.276 0.000 1.090 203 M CB -1.352 31.000 32.600 -0.412 0.000 1.392 203 M HN 0.520 nan 8.290 nan 0.000 0.422 204 A N 0.054 122.794 122.820 -0.132 0.000 1.930 204 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 204 A C 2.054 179.620 177.584 -0.029 0.000 1.175 204 A CA 1.475 53.456 52.037 -0.093 0.000 0.627 204 A CB -0.549 18.373 19.000 -0.130 0.000 0.815 204 A HN 0.564 nan 8.150 nan 0.000 0.443 205 E N -0.313 119.854 120.200 -0.055 0.000 2.106 205 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 205 E C 1.852 178.435 176.600 -0.030 0.000 0.984 205 E CA 1.079 57.454 56.400 -0.041 0.000 0.806 205 E CB -0.253 29.413 29.700 -0.058 0.000 0.750 205 E HN 0.705 nan 8.360 nan 0.000 0.458 206 I N 0.323 120.871 120.570 -0.038 0.000 2.252 206 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 206 I C 2.396 178.503 176.117 -0.017 0.000 1.102 206 I CA 0.990 62.263 61.300 -0.046 0.000 1.385 206 I CB -0.299 37.666 38.000 -0.059 0.000 1.064 206 I HN 0.113 nan 8.210 nan 0.000 0.414 207 Y N 2.259 122.501 120.300 -0.096 0.000 2.151 207 Y HA -0.302 4.248 4.550 0.000 0.000 0.284 207 Y C 2.430 178.281 175.900 -0.082 0.000 1.166 207 Y CA 1.721 59.773 58.100 -0.079 0.000 1.163 207 Y CB -0.231 38.185 38.460 -0.072 0.000 0.974 207 Y HN 0.011 nan 8.280 nan 0.000 0.511 208 K N -0.952 119.531 120.400 0.138 0.000 2.281 208 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 208 K C 1.857 178.420 176.600 -0.060 0.000 1.046 208 K CA 1.017 57.335 56.287 0.053 0.000 0.938 208 K CB -0.475 32.038 32.500 0.021 0.000 0.737 208 K HN 0.452 nan 8.250 nan 0.000 0.458 209 G N 0.602 109.335 108.800 -0.111 0.000 3.233 209 G HA2 0.117 4.077 3.960 -0.000 0.000 0.227 209 G HA3 0.117 4.077 3.960 -0.000 0.000 0.227 209 G C 0.187 174.920 174.900 -0.278 0.000 1.175 209 G CA -0.329 44.664 45.100 -0.179 0.000 0.781 209 G HN 0.015 nan 8.290 nan 0.000 0.542 210 L N 1.357 122.407 121.223 -0.290 0.000 2.331 210 L HA 0.305 4.645 4.340 -0.000 0.000 0.278 210 L C -2.020 174.665 176.870 -0.308 0.000 1.106 210 L CA -1.823 52.806 54.840 -0.350 0.000 0.824 210 L CB 1.469 43.307 42.059 -0.367 0.000 1.142 210 L HN -0.089 nan 8.230 nan 0.000 0.443 211 P HA 0.027 nan 4.420 nan 0.000 0.271 211 P C 0.027 177.284 177.300 -0.070 0.000 1.233 211 P CA -0.345 62.612 63.100 -0.238 0.000 0.789 211 P CB 0.607 32.112 31.700 -0.325 0.000 0.951 212 D N 0.427 120.807 120.400 -0.033 0.000 2.221 212 D HA -0.148 4.492 4.640 -0.000 0.000 0.204 212 D C 0.777 177.098 176.300 0.034 0.000 0.982 212 D CA 1.410 55.407 54.000 -0.005 0.000 0.857 212 D CB -0.299 40.500 40.800 -0.001 0.000 0.934 212 D HN 0.534 nan 8.370 nan 0.000 0.475 213 D N -1.533 118.925 120.400 0.096 0.000 2.424 213 D HA -0.027 4.613 4.640 -0.000 0.000 0.220 213 D C 0.005 176.382 176.300 0.129 0.000 1.150 213 D CA -0.473 53.583 54.000 0.093 0.000 0.831 213 D CB -0.572 40.275 40.800 0.078 0.000 0.981 213 D HN 0.048 nan 8.370 nan 0.000 0.500 214 W N 1.128 122.343 121.300 -0.142 0.000 2.497 214 W HA 0.521 5.181 4.660 -0.000 0.000 0.359 214 W C 0.410 176.779 176.519 -0.250 0.000 1.131 214 W CA -0.671 56.562 57.345 -0.186 0.000 1.280 214 W CB 1.314 30.654 29.460 -0.200 0.000 1.319 214 W HN -0.399 nan 8.180 nan 0.000 0.626 215 K N 1.546 121.831 120.400 -0.191 0.000 2.375 215 K HA 0.596 4.916 4.320 -0.000 0.000 0.249 215 K C -1.782 174.502 176.600 -0.527 0.000 0.942 215 K CA -1.300 54.753 56.287 -0.390 0.000 0.806 215 K CB 2.399 34.562 32.500 -0.562 0.000 1.227 215 K HN 0.226 nan 8.250 nan 0.000 0.430 216 L N 3.098 124.074 121.223 -0.413 0.000 2.319 216 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 216 L C -1.694 175.079 176.870 -0.162 0.000 1.005 216 L CA -0.260 54.426 54.840 -0.258 0.000 0.828 216 L CB 0.437 42.455 42.059 -0.068 0.000 1.227 216 L HN 0.370 nan 8.230 nan 0.000 0.415 217 F N 2.905 122.886 119.950 0.052 0.000 2.404 217 F HA 0.565 5.092 4.527 -0.000 0.000 0.354 217 F C 0.571 176.416 175.800 0.076 0.000 1.122 217 F CA -0.875 57.150 58.000 0.041 0.000 1.080 217 F CB 1.566 40.560 39.000 -0.010 0.000 1.131 217 F HN 0.525 nan 8.300 nan 0.000 0.471 218 S N 1.593 117.475 115.700 0.303 0.000 2.462 218 S HA 0.510 4.980 4.470 -0.000 0.000 0.294 218 S C -0.628 174.105 174.600 0.222 0.000 1.144 218 S CA -0.897 57.464 58.200 0.268 0.000 1.088 218 S CB 1.799 65.177 63.200 0.297 0.000 1.009 218 S HN 0.694 nan 8.310 nan 0.000 0.484 219 E N 3.095 123.426 120.200 0.218 0.000 2.129 219 E HA 0.203 4.553 4.350 -0.000 0.000 0.268 219 E C -0.166 176.574 176.600 0.233 0.000 0.900 219 E CA -0.781 55.708 56.400 0.149 0.000 0.755 219 E CB 0.560 30.327 29.700 0.113 0.000 1.117 219 E HN 0.910 nan 8.360 nan 0.000 0.410 220 H N 3.303 122.475 119.070 0.170 0.000 2.547 220 H HA 0.499 5.055 4.556 -0.000 0.000 0.362 220 H C -0.858 174.565 175.328 0.159 0.000 1.181 220 H CA -0.694 55.428 56.048 0.122 0.000 1.376 220 H CB 1.306 31.110 29.762 0.069 0.000 1.488 220 H HN 0.415 nan 8.280 nan 0.000 0.583 221 K N 2.652 123.123 120.400 0.118 0.000 2.571 221 K HA 0.099 4.419 4.320 -0.000 0.000 0.252 221 K C 0.675 177.234 176.600 -0.069 0.000 0.956 221 K CA -0.593 55.620 56.287 -0.124 0.000 0.822 221 K CB 2.581 34.904 32.500 -0.295 0.000 1.286 221 K HN 0.710 nan 8.250 nan 0.000 0.439 222 M N 3.378 122.945 119.600 -0.055 0.000 2.117 222 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 222 M C -0.437 175.946 176.300 0.138 0.000 1.065 222 M CA 1.698 57.039 55.300 0.070 0.000 1.114 222 M CB 0.120 32.843 32.600 0.206 0.000 1.361 222 M HN 0.613 nan 8.290 nan 0.000 0.408 223 Y N -2.480 117.764 120.300 -0.092 0.000 2.713 223 Y HA 0.500 5.050 4.550 -0.000 0.000 0.335 223 Y C -1.147 174.674 175.900 -0.133 0.000 1.222 223 Y CA -1.697 56.341 58.100 -0.104 0.000 1.061 223 Y CB 0.254 38.715 38.460 0.001 0.000 1.314 223 Y HN 0.320 nan 8.280 nan 0.000 0.453 224 E N 1.690 121.742 120.200 -0.248 0.000 7.504 224 E HA -0.113 4.237 4.350 -0.000 0.000 0.337 224 E C -2.382 174.094 176.600 -0.206 0.000 0.701 224 E CA 0.472 56.644 56.400 -0.379 0.000 1.302 224 E CB 0.189 29.778 29.700 -0.184 0.000 0.927 224 E HN 0.655 nan 8.360 nan 0.000 0.263 225 P HA -0.020 nan 4.420 nan 0.000 0.233 225 P C 0.242 177.048 177.300 -0.823 0.000 1.167 225 P CA 1.147 63.990 63.100 -0.429 0.000 0.770 225 P CB 0.209 31.827 31.700 -0.136 0.000 0.837 226 A N -0.225 122.259 122.820 -0.559 0.000 2.366 226 A HA 0.404 4.724 4.320 -0.000 0.000 0.272 226 A C -0.064 177.218 177.584 -0.503 0.000 1.135 226 A CA -0.351 51.431 52.037 -0.426 0.000 0.804 226 A CB -0.309 18.584 19.000 -0.178 0.000 1.064 226 A HN -0.031 nan 8.150 nan 0.000 0.499 227 F N 1.135 121.119 119.950 0.058 0.000 2.639 227 F HA 0.203 4.730 4.527 -0.000 0.000 0.302 227 F C 0.903 176.724 175.800 0.036 0.000 1.097 227 F CA 0.090 58.116 58.000 0.044 0.000 1.294 227 F CB -0.056 38.946 39.000 0.003 0.000 1.027 227 F HN 0.805 nan 8.300 nan 0.000 0.550 228 Y N -0.065 120.263 120.300 0.046 0.000 2.817 228 Y HA 0.364 4.914 4.550 -0.000 0.000 0.257 228 Y C 0.527 176.455 175.900 0.047 0.000 1.055 228 Y CA 0.326 58.445 58.100 0.031 0.000 1.319 228 Y CB 0.247 38.713 38.460 0.011 0.000 1.481 228 Y HN -0.144 nan 8.280 nan 0.000 0.471 229 S N -0.167 115.386 115.700 -0.246 0.000 2.564 229 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 229 S C -1.084 173.436 174.600 -0.134 0.000 1.124 229 S CA -0.430 57.582 58.200 -0.313 0.000 0.869 229 S CB 2.131 65.178 63.200 -0.255 0.000 1.105 229 S HN 0.113 nan 8.310 nan 0.000 0.472 230 T N 2.179 116.624 114.554 -0.183 0.000 2.861 230 T HA 0.433 4.783 4.350 -0.000 0.000 0.287 230 T C 1.240 175.817 174.700 -0.205 0.000 1.003 230 T CA -0.630 61.377 62.100 -0.156 0.000 0.977 230 T CB 1.638 70.422 68.868 -0.140 0.000 0.996 230 T HN 0.523 nan 8.240 nan 0.000 0.448 231 V N 2.648 122.450 119.914 -0.185 0.000 2.233 231 V HA -0.082 4.038 4.120 -0.000 0.000 0.247 231 V C 1.297 177.160 176.094 -0.385 0.000 1.050 231 V CA 1.466 63.618 62.300 -0.246 0.000 1.010 231 V CB -0.248 31.462 31.823 -0.188 0.000 0.637 231 V HN 0.727 nan 8.190 nan 0.000 0.444 232 V N 3.142 122.851 119.914 -0.342 0.000 2.125 232 V HA 0.127 4.247 4.120 -0.000 0.000 0.263 232 V C 1.326 177.338 176.094 -0.136 0.000 1.365 232 V CA -0.003 62.130 62.300 -0.279 0.000 1.276 232 V CB 0.468 32.159 31.823 -0.220 0.000 1.350 232 V HN 0.632 nan 8.190 nan 0.000 0.487 233 Q N 2.011 121.698 119.800 -0.189 0.000 2.212 233 Q HA -0.016 4.324 4.340 -0.000 0.000 0.199 233 Q C 0.179 176.165 176.000 -0.022 0.000 0.950 233 Q CA 1.508 57.242 55.803 -0.115 0.000 0.863 233 Q CB 0.428 29.050 28.738 -0.194 0.000 0.944 233 Q HN 0.777 nan 8.270 nan 0.000 0.465 234 D N -2.025 118.322 120.400 -0.088 0.000 2.664 234 D HA 0.037 4.677 4.640 -0.000 0.000 0.292 234 D C 0.827 176.873 176.300 -0.423 0.000 1.214 234 D CA -0.514 53.409 54.000 -0.129 0.000 0.932 234 D CB -0.875 39.878 40.800 -0.078 0.000 1.420 234 D HN 0.128 nan 8.370 nan 0.000 0.471 235 W N 0.662 121.511 121.300 -0.752 0.000 2.421 235 W HA 0.103 4.763 4.660 0.000 0.000 0.270 235 W C 1.001 177.393 176.519 -0.211 0.000 1.233 235 W CA 1.110 58.094 57.345 -0.602 0.000 1.226 235 W CB -1.296 27.935 29.460 -0.381 0.000 1.121 235 W HN 0.448 nan 8.180 nan 0.000 0.579 236 G N 1.635 109.798 108.800 -1.062 0.000 2.414 236 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 236 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 236 G C 1.509 176.139 174.900 -0.449 0.000 1.188 236 G CA 2.185 46.693 45.100 -0.986 0.000 0.783 236 G HN 0.281 nan 8.290 nan 0.000 0.537 237 T N 1.085 115.408 114.554 -0.385 0.000 2.746 237 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 237 T C 2.343 176.974 174.700 -0.115 0.000 1.039 237 T CA 1.323 63.229 62.100 -0.324 0.000 1.142 237 T CB -0.299 68.272 68.868 -0.495 0.000 0.866 237 T HN 0.229 nan 8.240 nan 0.000 0.444 238 N N 0.444 119.095 118.700 -0.082 0.000 2.104 238 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 238 N C 1.574 177.146 175.510 0.104 0.000 1.024 238 N CA 1.184 54.280 53.050 0.076 0.000 0.853 238 N CB -0.463 38.122 38.487 0.163 0.000 1.008 238 N HN 0.511 nan 8.380 nan 0.000 0.424 239 Y N 1.099 121.375 120.300 -0.039 0.000 2.181 239 Y HA -0.055 4.495 4.550 -0.000 0.000 0.288 239 Y C 2.139 178.039 175.900 0.000 0.000 1.146 239 Y CA 1.365 59.456 58.100 -0.014 0.000 1.164 239 Y CB -0.409 37.966 38.460 -0.141 0.000 0.982 239 Y HN 0.043 nan 8.280 nan 0.000 0.515 240 L N -0.454 120.735 121.223 -0.057 0.000 2.083 240 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 240 L C 2.396 179.253 176.870 -0.021 0.000 1.083 240 L CA 1.425 56.242 54.840 -0.038 0.000 0.752 240 L CB -0.584 41.566 42.059 0.152 0.000 0.899 240 L HN 0.284 nan 8.230 nan 0.000 0.433 241 I N -0.103 120.527 120.570 0.101 0.000 2.113 241 I HA -0.301 3.869 4.170 -0.000 0.000 0.238 241 I C 2.849 178.972 176.117 0.009 0.000 1.070 241 I CA 1.326 62.706 61.300 0.132 0.000 1.332 241 I CB -0.507 37.661 38.000 0.281 0.000 1.044 241 I HN 0.193 nan 8.210 nan 0.000 0.402 242 A N 0.027 122.836 122.820 -0.018 0.000 1.908 242 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 242 A C 2.229 179.730 177.584 -0.139 0.000 1.181 242 A CA 2.178 54.195 52.037 -0.033 0.000 0.627 242 A CB -0.720 18.283 19.000 0.005 0.000 0.818 242 A HN 0.446 nan 8.150 nan 0.000 0.445 243 Q N -0.457 119.138 119.800 -0.343 0.000 2.124 243 Q HA -0.097 4.242 4.340 -0.000 0.000 0.202 243 Q C 1.999 177.888 176.000 -0.184 0.000 0.977 243 Q CA 2.472 58.080 55.803 -0.325 0.000 0.850 243 Q CB -0.840 27.560 28.738 -0.565 0.000 0.901 243 Q HN 0.592 nan 8.270 nan 0.000 0.429 244 T N 0.514 114.966 114.554 -0.171 0.000 2.812 244 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 244 T C 1.709 176.290 174.700 -0.199 0.000 1.042 244 T CA 1.060 63.068 62.100 -0.154 0.000 1.140 244 T CB -0.147 68.635 68.868 -0.144 0.000 0.870 244 T HN 0.197 nan 8.240 nan 0.000 0.445 245 L N 0.195 121.296 121.223 -0.203 0.000 2.027 245 L HA 0.209 4.549 4.340 -0.000 0.000 0.206 245 L C 1.509 177.990 176.870 -0.648 0.000 1.074 245 L CA 0.950 55.572 54.840 -0.364 0.000 0.745 245 L CB -0.616 41.345 42.059 -0.164 0.000 0.898 245 L HN 0.510 nan 8.230 nan 0.000 0.433 246 G N -2.710 105.914 108.800 -0.293 0.000 2.368 246 G HA2 0.016 3.976 3.960 -0.000 0.000 0.302 246 G HA3 0.016 3.976 3.960 -0.000 0.000 0.302 246 G C -2.629 172.358 174.900 0.145 0.000 1.329 246 G CA -0.582 44.424 45.100 -0.156 0.000 0.935 246 G HN -0.266 nan 8.290 nan 0.000 0.590 247 P HA -0.034 nan 4.420 nan 0.000 0.217 247 P C 1.497 178.904 177.300 0.179 0.000 1.148 247 P CA 1.436 64.635 63.100 0.165 0.000 0.828 247 P CB 0.107 31.889 31.700 0.137 0.000 0.783 248 K N -1.227 119.315 120.400 0.237 0.000 2.459 248 K HA 0.222 4.542 4.320 -0.000 0.000 0.193 248 K C 0.676 177.326 176.600 0.084 0.000 1.030 248 K CA -0.059 56.265 56.287 0.063 0.000 1.026 248 K CB 0.147 32.529 32.500 -0.195 0.000 0.809 248 K HN 0.064 nan 8.250 nan 0.000 0.504 249 A N 1.831 124.809 122.820 0.263 0.000 2.260 249 A HA 0.318 4.638 4.320 -0.000 0.000 0.308 249 A C -0.508 177.192 177.584 0.194 0.000 1.254 249 A CA -0.420 51.750 52.037 0.222 0.000 0.874 249 A CB 0.536 19.704 19.000 0.280 0.000 1.153 249 A HN 0.107 nan 8.150 nan 0.000 0.527 250 Q N 0.485 120.436 119.800 0.252 0.000 2.544 250 Q HA 0.486 4.826 4.340 -0.000 0.000 0.291 250 Q C -1.313 174.866 176.000 0.299 0.000 1.068 250 Q CA -0.833 55.142 55.803 0.285 0.000 0.785 250 Q CB 2.206 31.147 28.738 0.339 0.000 1.481 250 Q HN 0.764 nan 8.270 nan 0.000 0.430 251 C N 1.363 120.777 119.300 0.191 0.000 2.350 251 C HA 0.617 5.077 4.460 -0.000 0.000 0.348 251 C C -0.216 174.740 174.990 -0.056 0.000 1.260 251 C CA -0.651 58.454 59.018 0.146 0.000 1.966 251 C CB -0.242 27.627 27.740 0.215 0.000 2.380 251 C HN 0.640 nan 8.230 nan 0.000 0.535 252 L N 3.417 124.586 121.223 -0.090 0.000 2.296 252 L HA 0.660 5.000 4.340 -0.000 0.000 0.286 252 L C -0.739 175.953 176.870 -0.297 0.000 1.023 252 L CA -0.088 54.541 54.840 -0.351 0.000 0.812 252 L CB 1.066 42.876 42.059 -0.415 0.000 1.223 252 L HN 0.557 nan 8.230 nan 0.000 0.421 253 V N 4.381 124.074 119.914 -0.368 0.000 2.318 253 V HA 0.270 4.390 4.120 -0.000 0.000 0.271 253 V C -0.285 175.684 176.094 -0.208 0.000 1.030 253 V CA -0.570 61.613 62.300 -0.196 0.000 0.844 253 V CB 1.066 32.847 31.823 -0.070 0.000 1.015 253 V HN 0.662 nan 8.190 nan 0.000 0.460 254 D N 4.411 124.606 120.400 -0.341 0.000 2.317 254 D HA 0.279 4.919 4.640 -0.000 0.000 0.234 254 D C 1.153 177.338 176.300 -0.191 0.000 1.112 254 D CA -0.333 53.431 54.000 -0.393 0.000 0.840 254 D CB 1.694 41.896 40.800 -0.997 0.000 1.078 254 D HN 0.375 nan 8.370 nan 0.000 0.486 255 L N 3.061 124.276 121.223 -0.015 0.000 2.051 255 L HA -0.170 4.170 4.340 -0.000 0.000 0.214 255 L C 2.118 179.112 176.870 0.206 0.000 1.076 255 L CA 1.708 56.631 54.840 0.139 0.000 0.758 255 L CB -0.395 41.735 42.059 0.118 0.000 0.890 255 L HN 0.493 nan 8.230 nan 0.000 0.433 256 G N -2.464 106.381 108.800 0.075 0.000 3.262 256 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.228 256 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.228 256 G C 0.744 175.755 174.900 0.185 0.000 1.197 256 G CA -0.245 44.938 45.100 0.137 0.000 0.819 256 G HN 0.544 nan 8.290 nan 0.000 0.531 257 H N -0.120 118.853 119.070 -0.162 0.000 2.507 257 H HA 0.183 4.739 4.556 -0.000 0.000 0.294 257 H C -0.030 175.020 175.328 -0.463 0.000 1.064 257 H CA -0.482 55.351 56.048 -0.358 0.000 1.138 257 H CB 0.379 29.858 29.762 -0.472 0.000 1.515 257 H HN 0.355 nan 8.280 nan 0.000 0.547 258 H N -0.134 119.059 119.070 0.205 0.000 2.670 258 H HA 0.436 4.992 4.556 -0.000 0.000 0.361 258 H C 0.042 175.477 175.328 0.179 0.000 1.169 258 H CA -0.857 55.309 56.048 0.198 0.000 1.198 258 H CB 1.597 31.460 29.762 0.169 0.000 1.700 258 H HN 0.227 nan 8.280 nan 0.000 0.542 259 A N 2.344 125.329 122.820 0.276 0.000 2.448 259 A HA 0.216 4.536 4.320 -0.000 0.000 0.239 259 A C -2.135 175.555 177.584 0.176 0.000 1.080 259 A CA -0.983 51.176 52.037 0.204 0.000 0.779 259 A CB -0.679 18.409 19.000 0.147 0.000 1.026 259 A HN 0.409 nan 8.150 nan 0.000 0.499 260 P HA 0.034 nan 4.420 nan 0.000 0.264 260 P C 0.023 177.373 177.300 0.084 0.000 1.183 260 P CA 0.655 63.821 63.100 0.109 0.000 0.763 260 P CB 0.202 31.957 31.700 0.092 0.000 0.807 261 N N -1.373 117.367 118.700 0.066 0.000 2.900 261 N HA -0.144 4.596 4.740 -0.000 0.000 0.240 261 N C -0.378 175.155 175.510 0.038 0.000 0.953 261 N CA 1.211 54.288 53.050 0.045 0.000 0.950 261 N CB -2.367 36.143 38.487 0.038 0.000 1.102 261 N HN 0.389 nan 8.380 nan 0.000 0.593 262 T N 1.794 116.383 114.554 0.058 0.000 2.934 262 T HA -0.031 4.319 4.350 -0.000 0.000 0.306 262 T C 0.810 175.492 174.700 -0.030 0.000 1.042 262 T CA -0.083 62.039 62.100 0.036 0.000 1.145 262 T CB 0.572 69.492 68.868 0.088 0.000 0.982 262 T HN 0.145 nan 8.240 nan 0.000 0.544 263 N N 3.262 121.928 118.700 -0.056 0.000 2.555 263 N HA 0.106 4.846 4.740 -0.000 0.000 0.244 263 N C 1.038 176.442 175.510 -0.178 0.000 1.114 263 N CA -0.154 52.839 53.050 -0.096 0.000 0.963 263 N CB 0.005 38.443 38.487 -0.081 0.000 1.276 263 N HN 0.560 nan 8.380 nan 0.000 0.510 264 I N 1.858 122.302 120.570 -0.210 0.000 2.315 264 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 264 I C 2.204 178.180 176.117 -0.235 0.000 1.117 264 I CA 0.735 61.845 61.300 -0.317 0.000 1.404 264 I CB -0.017 37.795 38.000 -0.313 0.000 1.071 264 I HN 0.524 nan 8.210 nan 0.000 0.419 265 E N 1.529 121.625 120.200 -0.173 0.000 2.204 265 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 265 E C 2.100 178.600 176.600 -0.167 0.000 0.990 265 E CA 1.337 57.648 56.400 -0.149 0.000 0.821 265 E CB -0.630 28.979 29.700 -0.152 0.000 0.750 265 E HN 0.574 nan 8.360 nan 0.000 0.477 266 M N 0.920 120.402 119.600 -0.197 0.000 2.132 266 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 266 M C 2.307 178.395 176.300 -0.353 0.000 1.065 266 M CA 1.307 56.477 55.300 -0.218 0.000 1.122 266 M CB -0.072 32.416 32.600 -0.187 0.000 1.365 266 M HN 0.010 nan 8.290 nan 0.000 0.411 267 I N -0.255 120.018 120.570 -0.495 0.000 2.208 267 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 267 I C 2.234 178.054 176.117 -0.496 0.000 1.097 267 I CA 1.188 61.990 61.300 -0.830 0.000 1.363 267 I CB -0.548 36.971 38.000 -0.802 0.000 1.051 267 I HN 0.177 nan 8.210 nan 0.000 0.413 268 V N 1.071 120.839 119.914 -0.243 0.000 2.287 268 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 268 V C 2.735 178.793 176.094 -0.060 0.000 1.053 268 V CA 2.119 64.379 62.300 -0.066 0.000 1.027 268 V CB -1.051 30.831 31.823 0.098 0.000 0.646 268 V HN 0.520 nan 8.190 nan 0.000 0.447 269 A N -0.261 122.498 122.820 -0.101 0.000 1.902 269 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 269 A C 2.363 179.913 177.584 -0.056 0.000 1.181 269 A CA 1.520 53.511 52.037 -0.076 0.000 0.623 269 A CB -0.457 18.488 19.000 -0.091 0.000 0.818 269 A HN 0.409 nan 8.150 nan 0.000 0.443 270 R N -0.394 120.026 120.500 -0.134 0.000 2.073 270 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 270 R C 2.091 178.472 176.300 0.136 0.000 1.134 270 R CA 1.316 57.395 56.100 -0.035 0.000 0.952 270 R CB -1.013 29.092 30.300 -0.326 0.000 0.850 270 R HN 0.590 nan 8.270 nan 0.000 0.433 271 L N 0.324 121.569 121.223 0.036 0.000 2.131 271 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 271 L C 2.437 179.430 176.870 0.206 0.000 1.092 271 L CA 0.975 55.927 54.840 0.187 0.000 0.759 271 L CB -0.341 41.786 42.059 0.114 0.000 0.903 271 L HN 0.121 nan 8.230 nan 0.000 0.435 272 I N -0.584 120.065 120.570 0.130 0.000 2.202 272 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 272 I C 2.697 178.855 176.117 0.068 0.000 1.091 272 I CA 1.204 62.574 61.300 0.117 0.000 1.368 272 I CB -0.282 37.726 38.000 0.013 0.000 1.058 272 I HN 0.369 nan 8.210 nan 0.000 0.410 273 Q N 1.031 120.858 119.800 0.046 0.000 2.152 273 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 273 Q C 1.431 177.312 176.000 -0.198 0.000 0.985 273 Q CA 1.977 57.730 55.803 -0.084 0.000 0.863 273 Q CB -0.039 28.656 28.738 -0.071 0.000 0.904 273 Q HN 0.477 nan 8.270 nan 0.000 0.422 274 F N -0.668 119.333 119.950 0.084 0.000 2.639 274 F HA 0.333 4.860 4.527 -0.000 0.000 0.300 274 F C 1.144 177.061 175.800 0.195 0.000 1.109 274 F CA 0.256 58.344 58.000 0.146 0.000 1.335 274 F CB 0.830 39.932 39.000 0.170 0.000 1.014 274 F HN 0.203 nan 8.300 nan 0.000 0.537 275 G N 0.995 109.947 108.800 0.254 0.000 2.305 275 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.287 275 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.287 275 G C 0.884 175.936 174.900 0.254 0.000 1.036 275 G CA 0.191 45.428 45.100 0.229 0.000 0.887 275 G HN 0.246 nan 8.290 nan 0.000 0.505 276 K N -0.889 119.684 120.400 0.288 0.000 2.564 276 K HA 0.258 4.578 4.320 -0.000 0.000 0.205 276 K C 0.491 177.200 176.600 0.181 0.000 1.053 276 K CA -0.575 55.867 56.287 0.258 0.000 1.072 276 K CB 0.670 33.375 32.500 0.341 0.000 0.822 276 K HN 0.386 nan 8.250 nan 0.000 0.497 277 L N 1.295 122.594 121.223 0.126 0.000 2.356 277 L HA 0.281 4.621 4.340 -0.000 0.000 0.282 277 L C 1.157 177.939 176.870 -0.147 0.000 1.132 277 L CA 0.223 55.040 54.840 -0.037 0.000 0.923 277 L CB 0.521 42.577 42.059 -0.006 0.000 1.278 277 L HN 0.231 nan 8.230 nan 0.000 0.436 278 G N 2.928 111.604 108.800 -0.206 0.000 2.394 278 G HA2 0.371 4.331 3.960 -0.000 0.000 0.215 278 G HA3 0.371 4.331 3.960 -0.000 0.000 0.215 278 G C 0.580 174.966 174.900 -0.856 0.000 1.165 278 G CA 0.686 45.569 45.100 -0.362 0.000 0.784 278 G HN 0.955 nan 8.290 nan 0.000 0.535 279 G N -2.032 106.214 108.800 -0.922 0.000 2.340 279 G HA2 0.468 4.428 3.960 -0.000 0.000 0.299 279 G HA3 0.468 4.428 3.960 -0.000 0.000 0.299 279 G C -1.851 172.479 174.900 -0.950 0.000 1.291 279 G CA -1.023 43.539 45.100 -0.897 0.000 0.841 279 G HN 0.055 nan 8.290 nan 0.000 0.500 280 F N -0.493 119.202 119.950 -0.425 0.000 2.579 280 F HA 0.638 5.165 4.527 -0.000 0.000 0.324 280 F C 0.207 175.820 175.800 -0.312 0.000 1.058 280 F CA -0.560 57.137 58.000 -0.505 0.000 0.944 280 F CB 2.533 40.976 39.000 -0.929 0.000 1.245 280 F HN 0.368 nan 8.300 nan 0.000 0.477 281 H N 1.840 120.735 119.070 -0.291 0.000 2.866 281 H HA 0.310 4.866 4.556 -0.000 0.000 0.287 281 H C -1.181 174.025 175.328 -0.203 0.000 1.106 281 H CA -0.724 55.218 56.048 -0.177 0.000 1.396 281 H CB 0.831 30.486 29.762 -0.179 0.000 1.469 281 H HN 0.330 nan 8.280 nan 0.000 0.500 282 F N 3.108 123.170 119.950 0.187 0.000 2.429 282 F HA 0.136 4.663 4.527 -0.000 0.000 0.348 282 F C 0.690 176.532 175.800 0.069 0.000 1.109 282 F CA -0.003 58.070 58.000 0.121 0.000 1.232 282 F CB 0.801 39.882 39.000 0.134 0.000 1.157 282 F HN 0.707 nan 8.300 nan 0.000 0.564 283 N N -0.662 118.201 118.700 0.272 0.000 3.717 283 N HA 0.290 5.030 4.740 -0.000 0.000 0.239 283 N C -2.232 173.366 175.510 0.146 0.000 1.388 283 N CA -0.991 52.154 53.050 0.158 0.000 0.828 283 N CB 0.863 39.400 38.487 0.084 0.000 1.468 283 N HN 0.324 nan 8.380 nan 0.000 0.445 284 D N -1.594 118.871 120.400 0.108 0.000 2.531 284 D HA 0.824 5.464 4.640 -0.000 0.000 0.244 284 D C -1.240 175.109 176.300 0.083 0.000 1.090 284 D CA -0.047 54.012 54.000 0.098 0.000 0.989 284 D CB 2.109 42.962 40.800 0.090 0.000 1.433 284 D HN 0.838 nan 8.370 nan 0.000 0.492 285 S N -0.275 115.467 115.700 0.070 0.000 2.615 285 S HA 0.414 4.884 4.470 -0.000 0.000 0.268 285 S C -0.090 174.510 174.600 -0.001 0.000 1.146 285 S CA -0.765 57.473 58.200 0.062 0.000 0.818 285 S CB 2.399 65.652 63.200 0.090 0.000 1.111 285 S HN 0.474 nan 8.310 nan 0.000 0.465 286 K N -1.040 119.315 120.400 -0.076 0.000 2.550 286 K HA 0.336 4.656 4.320 -0.000 0.000 0.205 286 K C 0.178 176.489 176.600 -0.482 0.000 1.429 286 K CA 0.004 56.090 56.287 -0.335 0.000 0.997 286 K CB 0.182 32.346 32.500 -0.562 0.000 1.328 286 K HN 0.665 nan 8.250 nan 0.000 0.546 287 Y N -0.600 119.760 120.300 0.101 0.000 2.569 287 Y HA 0.402 4.951 4.550 -0.000 0.000 0.278 287 Y C 1.433 177.429 175.900 0.159 0.000 1.130 287 Y CA 0.318 58.487 58.100 0.116 0.000 1.280 287 Y CB 0.285 38.809 38.460 0.107 0.000 1.379 287 Y HN 0.095 nan 8.280 nan 0.000 0.508 288 G N -0.972 108.023 108.800 0.326 0.000 3.214 288 G HA2 0.177 4.137 3.960 -0.000 0.000 0.188 288 G HA3 0.177 4.137 3.960 -0.000 0.000 0.188 288 G C -1.308 173.681 174.900 0.148 0.000 1.126 288 G CA -0.344 44.920 45.100 0.273 0.000 0.796 288 G HN -0.042 nan 8.290 nan 0.000 0.631 289 D N 0.611 121.034 120.400 0.039 0.000 2.688 289 D HA 0.203 4.843 4.640 -0.000 0.000 0.228 289 D C 0.578 176.912 176.300 0.057 0.000 1.116 289 D CA -0.288 53.731 54.000 0.032 0.000 1.023 289 D CB -0.056 40.689 40.800 -0.091 0.000 1.100 289 D HN 0.150 nan 8.370 nan 0.000 0.487 290 D N 1.018 121.479 120.400 0.101 0.000 2.218 290 D HA -0.138 4.502 4.640 -0.000 0.000 0.204 290 D C 0.340 176.681 176.300 0.069 0.000 0.976 290 D CA 0.553 54.619 54.000 0.110 0.000 0.853 290 D CB -0.013 40.876 40.800 0.149 0.000 0.939 290 D HN 0.433 nan 8.370 nan 0.000 0.481 291 D N -0.153 120.278 120.400 0.051 0.000 2.723 291 D HA -0.177 4.463 4.640 -0.000 0.000 0.236 291 D C -0.037 176.264 176.300 0.002 0.000 1.138 291 D CA 0.373 54.383 54.000 0.017 0.000 0.676 291 D CB -1.206 39.589 40.800 -0.008 0.000 1.069 291 D HN 0.318 nan 8.370 nan 0.000 0.430 292 L N 0.085 121.333 121.223 0.043 0.000 2.454 292 L HA 0.231 4.571 4.340 -0.000 0.000 0.256 292 L C 0.950 177.861 176.870 0.068 0.000 1.136 292 L CA -0.736 54.136 54.840 0.054 0.000 0.804 292 L CB 0.434 42.539 42.059 0.077 0.000 1.181 292 L HN -0.190 nan 8.230 nan 0.000 0.469 293 D N 1.282 121.739 120.400 0.093 0.000 2.533 293 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 293 D C 0.190 176.546 176.300 0.093 0.000 1.137 293 D CA 0.260 54.327 54.000 0.110 0.000 0.867 293 D CB 0.558 41.422 40.800 0.105 0.000 1.170 293 D HN 0.589 nan 8.370 nan 0.000 0.474 294 A N 2.129 125.009 122.820 0.100 0.000 2.567 294 A HA 0.422 4.742 4.320 -0.000 0.000 0.240 294 A C 1.685 179.311 177.584 0.070 0.000 1.053 294 A CA 0.437 52.535 52.037 0.102 0.000 0.755 294 A CB -0.322 18.735 19.000 0.096 0.000 0.978 294 A HN 1.014 nan 8.150 nan 0.000 0.507 295 G N 0.912 109.763 108.800 0.084 0.000 2.196 295 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.268 295 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.268 295 G C 1.105 176.047 174.900 0.070 0.000 0.975 295 G CA 1.208 46.355 45.100 0.079 0.000 0.648 295 G HN 2.067 nan 8.290 nan 0.000 0.538 296 A N -0.653 122.206 122.820 0.065 0.000 2.119 296 A HA 0.459 4.779 4.320 -0.000 0.000 0.216 296 A C 2.175 179.793 177.584 0.056 0.000 1.152 296 A CA 1.797 53.868 52.037 0.056 0.000 0.708 296 A CB -0.127 18.908 19.000 0.059 0.000 0.805 296 A HN 0.506 nan 8.150 nan 0.000 0.460 297 I N -1.493 119.113 120.570 0.059 0.000 3.366 297 I HA 0.153 4.323 4.170 -0.000 0.000 0.267 297 I C 0.273 176.421 176.117 0.053 0.000 1.149 297 I CA 0.746 62.074 61.300 0.047 0.000 1.436 297 I CB -0.732 37.288 38.000 0.033 0.000 1.379 297 I HN 0.215 nan 8.210 nan 0.000 0.460 298 E N 2.408 122.650 120.200 0.069 0.000 2.873 298 E HA 0.194 4.544 4.350 -0.000 0.000 0.232 298 E C -1.807 174.865 176.600 0.120 0.000 1.123 298 E CA -1.419 55.032 56.400 0.085 0.000 0.809 298 E CB 1.904 31.643 29.700 0.065 0.000 1.366 298 E HN 0.116 nan 8.360 nan 0.000 0.400 299 P HA -0.205 nan 4.420 nan 0.000 0.219 299 P C 1.231 178.693 177.300 0.269 0.000 1.150 299 P CA 0.930 64.162 63.100 0.220 0.000 0.814 299 P CB 0.253 32.105 31.700 0.253 0.000 0.787 300 Y N 1.951 122.239 120.300 -0.020 0.000 2.181 300 Y HA -0.129 4.421 4.550 -0.000 0.000 0.288 300 Y C 2.889 178.748 175.900 -0.068 0.000 1.146 300 Y CA 1.300 59.194 58.100 -0.342 0.000 1.164 300 Y CB -0.879 37.304 38.460 -0.462 0.000 0.982 300 Y HN -0.212 nan 8.280 nan 0.000 0.515 301 R N -0.364 120.134 120.500 -0.003 0.000 2.096 301 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 301 R C 2.167 178.453 176.300 -0.023 0.000 1.127 301 R CA 1.634 57.696 56.100 -0.064 0.000 0.968 301 R CB -0.612 29.690 30.300 0.003 0.000 0.861 301 R HN 0.417 nan 8.270 nan 0.000 0.440 302 L N 0.408 121.678 121.223 0.079 0.000 2.046 302 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 302 L C 1.972 178.954 176.870 0.186 0.000 1.077 302 L CA 1.642 56.571 54.840 0.148 0.000 0.747 302 L CB -0.742 41.416 42.059 0.165 0.000 0.896 302 L HN 0.244 nan 8.230 nan 0.000 0.432 303 F N -0.340 119.615 119.950 0.008 0.000 2.134 303 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 303 F C 2.021 177.768 175.800 -0.088 0.000 1.097 303 F CA 1.740 59.741 58.000 0.001 0.000 1.264 303 F CB -0.368 38.623 39.000 -0.016 0.000 1.001 303 F HN 0.043 nan 8.300 nan 0.000 0.479 304 L N -0.556 120.449 121.223 -0.363 0.000 2.131 304 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 304 L C 2.364 179.043 176.870 -0.318 0.000 1.092 304 L CA 0.833 55.401 54.840 -0.454 0.000 0.759 304 L CB -0.849 40.967 42.059 -0.404 0.000 0.903 304 L HN 0.077 nan 8.230 nan 0.000 0.435 305 V N -0.741 119.045 119.914 -0.214 0.000 2.307 305 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 305 V C 2.197 178.117 176.094 -0.291 0.000 1.045 305 V CA 1.772 63.941 62.300 -0.219 0.000 1.024 305 V CB -0.512 31.178 31.823 -0.220 0.000 0.651 305 V HN 0.220 nan 8.190 nan 0.000 0.449 306 F N 0.891 120.698 119.950 -0.239 0.000 2.293 306 F HA -0.123 4.404 4.527 0.000 0.000 0.300 306 F C 2.269 177.917 175.800 -0.254 0.000 1.086 306 F CA 1.695 59.575 58.000 -0.201 0.000 1.375 306 F CB -0.551 38.322 39.000 -0.213 0.000 1.045 306 F HN 0.250 nan 8.300 nan 0.000 0.516 307 N N 0.296 118.803 118.700 -0.321 0.000 2.166 307 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 307 N C 1.725 177.133 175.510 -0.170 0.000 1.019 307 N CA 1.463 54.298 53.050 -0.359 0.000 0.856 307 N CB -0.090 38.068 38.487 -0.549 0.000 0.993 307 N HN 0.074 nan 8.380 nan 0.000 0.426 308 E N 0.275 120.387 120.200 -0.147 0.000 2.107 308 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 308 E C 2.114 178.706 176.600 -0.012 0.000 0.982 308 E CA 0.506 56.857 56.400 -0.082 0.000 0.809 308 E CB -0.294 29.365 29.700 -0.068 0.000 0.756 308 E HN 0.475 nan 8.360 nan 0.000 0.459 309 L N 0.337 121.585 121.223 0.042 0.000 2.017 309 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 309 L C 2.522 179.533 176.870 0.234 0.000 1.073 309 L CA 0.854 55.828 54.840 0.224 0.000 0.745 309 L CB -0.520 41.652 42.059 0.188 0.000 0.894 309 L HN -0.015 nan 8.230 nan 0.000 0.432 310 V N -0.217 119.798 119.914 0.169 0.000 2.427 310 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 310 V C 2.316 178.435 176.094 0.042 0.000 1.051 310 V CA 1.936 64.319 62.300 0.138 0.000 1.048 310 V CB -0.559 31.299 31.823 0.058 0.000 0.666 310 V HN 0.567 nan 8.190 nan 0.000 0.456 311 D N 0.675 121.066 120.400 -0.014 0.000 2.097 311 D HA -0.191 4.449 4.640 -0.000 0.000 0.195 311 D C 2.133 178.378 176.300 -0.091 0.000 0.989 311 D CA 1.746 55.716 54.000 -0.051 0.000 0.827 311 D CB 0.226 40.985 40.800 -0.069 0.000 0.966 311 D HN 0.407 nan 8.370 nan 0.000 0.456 312 A N 0.990 123.715 122.820 -0.158 0.000 1.930 312 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 312 A C 2.157 179.573 177.584 -0.279 0.000 1.175 312 A CA 1.671 53.500 52.037 -0.347 0.000 0.627 312 A CB -0.586 17.966 19.000 -0.747 0.000 0.815 312 A HN 0.455 nan 8.150 nan 0.000 0.443 313 E N 0.120 120.272 120.200 -0.081 0.000 2.047 313 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 313 E C 2.153 178.771 176.600 0.031 0.000 0.987 313 E CA 1.071 57.516 56.400 0.075 0.000 0.799 313 E CB -0.298 29.534 29.700 0.221 0.000 0.752 313 E HN 0.487 nan 8.360 nan 0.000 0.449 314 A N 2.195 125.023 122.820 0.013 0.000 1.908 314 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 314 A C 1.971 179.546 177.584 -0.015 0.000 1.181 314 A CA 1.711 53.749 52.037 0.003 0.000 0.627 314 A CB -0.658 18.337 19.000 -0.008 0.000 0.818 314 A HN 0.397 nan 8.150 nan 0.000 0.445 315 R N -0.496 119.978 120.500 -0.043 0.000 3.541 315 R HA 0.354 4.694 4.340 -0.000 0.000 0.277 315 R C 0.868 177.141 176.300 -0.045 0.000 1.539 315 R CA 0.348 56.420 56.100 -0.047 0.000 1.338 315 R CB -1.176 29.084 30.300 -0.065 0.000 1.343 315 R HN 0.524 nan 8.270 nan 0.000 0.623 316 G N 0.946 109.734 108.800 -0.019 0.000 2.393 316 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.304 316 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.304 316 G C 0.430 175.327 174.900 -0.006 0.000 0.977 316 G CA 0.523 45.624 45.100 0.002 0.000 0.803 316 G HN 0.372 nan 8.290 nan 0.000 0.511 317 V N 0.536 120.411 119.914 -0.065 0.000 2.655 317 V HA -0.043 4.077 4.120 -0.000 0.000 0.273 317 V C 1.344 177.463 176.094 0.042 0.000 0.957 317 V CA 0.984 63.233 62.300 -0.085 0.000 1.167 317 V CB -0.375 31.261 31.823 -0.311 0.000 0.923 317 V HN 0.506 nan 8.190 nan 0.000 0.462 318 K N 3.680 124.120 120.400 0.067 0.000 2.319 318 K HA 0.394 4.714 4.320 -0.000 0.000 0.265 318 K C 1.244 177.956 176.600 0.186 0.000 1.000 318 K CA 0.611 56.972 56.287 0.123 0.000 0.943 318 K CB 0.337 32.892 32.500 0.091 0.000 0.950 318 K HN 0.966 nan 8.250 nan 0.000 0.485 319 G N 1.933 110.880 108.800 0.245 0.000 2.273 319 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 319 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 319 G C -0.587 174.533 174.900 0.366 0.000 1.047 319 G CA -0.105 45.169 45.100 0.291 0.000 0.869 319 G HN 0.463 nan 8.290 nan 0.000 0.502 320 F N 1.540 121.568 119.950 0.129 0.000 2.359 320 F HA 0.626 5.153 4.527 -0.000 0.000 0.370 320 F C 0.084 175.763 175.800 -0.202 0.000 1.077 320 F CA -1.747 56.257 58.000 0.005 0.000 1.136 320 F CB 0.749 39.728 39.000 -0.034 0.000 1.387 320 F HN 0.174 nan 8.300 nan 0.000 0.468 321 H N 4.139 123.032 119.070 -0.295 0.000 2.380 321 H HA 0.347 4.903 4.556 -0.000 0.000 0.231 321 H C -2.461 172.638 175.328 -0.382 0.000 1.415 321 H CA -1.865 54.009 56.048 -0.290 0.000 1.433 321 H CB 0.150 29.851 29.762 -0.102 0.000 1.544 321 H HN 0.356 nan 8.280 nan 0.000 0.503 322 P HA 0.171 nan 4.420 nan 0.000 0.268 322 P C -0.271 176.688 177.300 -0.567 0.000 1.204 322 P CA -0.275 62.481 63.100 -0.573 0.000 0.768 322 P CB 0.905 32.221 31.700 -0.640 0.000 0.842 323 A N 3.202 125.755 122.820 -0.446 0.000 2.354 323 A HA 0.251 4.571 4.320 -0.000 0.000 0.281 323 A C -0.475 176.942 177.584 -0.278 0.000 1.174 323 A CA -0.188 51.678 52.037 -0.284 0.000 0.828 323 A CB -0.549 18.367 19.000 -0.140 0.000 1.099 323 A HN 0.626 nan 8.150 nan 0.000 0.516 324 H N 1.570 120.697 119.070 0.095 0.000 2.488 324 H HA 0.617 5.173 4.556 -0.000 0.000 0.322 324 H C -0.313 175.163 175.328 0.247 0.000 1.078 324 H CA -0.021 56.194 56.048 0.278 0.000 1.260 324 H CB 1.330 31.304 29.762 0.352 0.000 1.425 324 H HN 0.695 nan 8.280 nan 0.000 0.471 325 M N 2.604 122.452 119.600 0.413 0.000 2.531 325 M HA 0.407 4.887 4.480 -0.000 0.000 0.286 325 M C -1.058 175.411 176.300 0.282 0.000 1.232 325 M CA -0.359 55.108 55.300 0.279 0.000 0.877 325 M CB 2.618 35.345 32.600 0.213 0.000 1.726 325 M HN 0.388 nan 8.290 nan 0.000 0.463 326 I N 1.228 121.884 120.570 0.145 0.000 2.353 326 I HA 0.340 4.510 4.170 -0.000 0.000 0.293 326 I C -0.754 175.319 176.117 -0.074 0.000 0.992 326 I CA -0.188 61.181 61.300 0.115 0.000 1.268 326 I CB 1.187 39.240 38.000 0.087 0.000 1.387 326 I HN 0.593 nan 8.210 nan 0.000 0.478 327 D N 6.722 127.087 120.400 -0.059 0.000 2.375 327 D HA 0.348 4.988 4.640 -0.000 0.000 0.259 327 D C -0.876 175.424 176.300 0.002 0.000 1.235 327 D CA -0.211 53.743 54.000 -0.076 0.000 0.924 327 D CB 0.766 41.422 40.800 -0.239 0.000 1.143 327 D HN 0.474 nan 8.370 nan 0.000 0.529 328 Q N 0.558 120.339 119.800 -0.033 0.000 2.528 328 Q HA 0.890 5.230 4.340 -0.000 0.000 0.289 328 Q C -1.215 174.623 176.000 -0.270 0.000 1.091 328 Q CA -1.404 54.321 55.803 -0.130 0.000 0.797 328 Q CB 2.422 31.074 28.738 -0.144 0.000 1.466 328 Q HN 0.380 nan 8.270 nan 0.000 0.436 329 A N 0.810 123.399 122.820 -0.385 0.000 2.374 329 A HA 0.647 4.967 4.320 -0.000 0.000 0.305 329 A C -1.757 175.535 177.584 -0.486 0.000 1.053 329 A CA -0.591 51.252 52.037 -0.323 0.000 0.726 329 A CB 0.491 19.446 19.000 -0.074 0.000 1.229 329 A HN 0.768 nan 8.150 nan 0.000 0.431 330 H N 2.362 121.469 119.070 0.062 0.000 2.673 330 H HA 0.333 4.889 4.556 -0.000 0.000 0.293 330 H C 0.215 175.588 175.328 0.076 0.000 1.065 330 H CA -0.782 55.301 56.048 0.058 0.000 1.236 330 H CB 0.945 30.728 29.762 0.035 0.000 1.389 330 H HN 0.623 nan 8.280 nan 0.000 0.481 331 N N 1.991 120.780 118.700 0.148 0.000 2.388 331 N HA -0.027 4.713 4.740 -0.000 0.000 0.176 331 N C 0.796 176.404 175.510 0.162 0.000 1.062 331 N CA 0.572 53.718 53.050 0.160 0.000 0.895 331 N CB 1.182 39.762 38.487 0.156 0.000 1.018 331 N HN 0.478 nan 8.380 nan 0.000 0.456 332 V N -2.055 117.938 119.914 0.132 0.000 3.017 332 V HA 0.445 4.565 4.120 -0.000 0.000 0.354 332 V C -0.038 176.105 176.094 0.082 0.000 1.389 332 V CA -0.328 62.027 62.300 0.092 0.000 1.163 332 V CB -0.145 31.715 31.823 0.062 0.000 1.178 332 V HN 0.137 nan 8.190 nan 0.000 0.547 333 T N -3.800 110.815 114.554 0.103 0.000 2.816 333 T HA 0.461 4.811 4.350 -0.000 0.000 0.299 333 T C -1.248 173.491 174.700 0.065 0.000 1.230 333 T CA -0.329 61.816 62.100 0.075 0.000 1.007 333 T CB 2.159 71.067 68.868 0.067 0.000 1.289 333 T HN 0.172 nan 8.240 nan 0.000 0.508 334 D N 1.370 121.793 120.400 0.038 0.000 2.358 334 D HA 0.226 4.866 4.640 -0.000 0.000 0.258 334 D C -1.492 174.754 176.300 -0.090 0.000 1.223 334 D CA -1.839 52.179 54.000 0.030 0.000 0.886 334 D CB 1.403 42.257 40.800 0.090 0.000 1.120 334 D HN 0.120 nan 8.370 nan 0.000 0.482 335 P HA -0.164 nan 4.420 nan 0.000 0.217 335 P C 1.581 178.617 177.300 -0.440 0.000 1.151 335 P CA 1.110 64.004 63.100 -0.342 0.000 0.849 335 P CB 0.244 31.887 31.700 -0.096 0.000 0.787 336 I N -0.761 119.635 120.570 -0.291 0.000 2.315 336 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 336 I C 2.216 178.046 176.117 -0.479 0.000 1.117 336 I CA 1.449 62.517 61.300 -0.386 0.000 1.404 336 I CB -0.616 37.114 38.000 -0.450 0.000 1.071 336 I HN 0.029 nan 8.210 nan 0.000 0.419 337 E N 0.420 120.347 120.200 -0.456 0.000 2.072 337 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 337 E C 2.349 178.815 176.600 -0.223 0.000 0.985 337 E CA 1.287 57.484 56.400 -0.338 0.000 0.801 337 E CB -0.061 29.533 29.700 -0.177 0.000 0.750 337 E HN 0.325 nan 8.360 nan 0.000 0.452 338 S N 1.071 116.628 115.700 -0.238 0.000 2.356 338 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 338 S C 2.042 176.550 174.600 -0.153 0.000 1.032 338 S CA 0.770 58.872 58.200 -0.163 0.000 1.005 338 S CB -0.160 62.952 63.200 -0.147 0.000 0.867 338 S HN 0.168 nan 8.310 nan 0.000 0.449 339 L N 0.893 121.952 121.223 -0.273 0.000 2.083 339 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 339 L C 2.163 178.965 176.870 -0.113 0.000 1.083 339 L CA 1.002 55.753 54.840 -0.149 0.000 0.752 339 L CB -0.519 41.427 42.059 -0.188 0.000 0.899 339 L HN 0.315 nan 8.230 nan 0.000 0.433 340 I N -0.054 120.421 120.570 -0.160 0.000 2.142 340 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 340 I C 2.113 178.182 176.117 -0.081 0.000 1.078 340 I CA 1.305 62.529 61.300 -0.127 0.000 1.343 340 I CB -0.320 37.578 38.000 -0.171 0.000 1.046 340 I HN 0.340 nan 8.210 nan 0.000 0.405 341 N N 0.283 118.938 118.700 -0.076 0.000 2.331 341 N HA -0.094 4.646 4.740 -0.000 0.000 0.180 341 N C 1.953 177.444 175.510 -0.033 0.000 1.019 341 N CA 0.988 54.010 53.050 -0.047 0.000 0.881 341 N CB -0.161 38.305 38.487 -0.035 0.000 0.972 341 N HN 0.190 nan 8.380 nan 0.000 0.435 342 S N 0.556 116.244 115.700 -0.020 0.000 2.371 342 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 342 S C 2.066 176.651 174.600 -0.024 0.000 1.029 342 S CA 0.943 59.145 58.200 0.003 0.000 0.978 342 S CB -0.219 63.012 63.200 0.051 0.000 0.833 342 S HN 0.474 nan 8.310 nan 0.000 0.466 343 A N 2.207 125.013 122.820 -0.023 0.000 1.933 343 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 343 A C 1.862 179.415 177.584 -0.052 0.000 1.175 343 A CA 1.595 53.621 52.037 -0.019 0.000 0.628 343 A CB -0.825 18.174 19.000 -0.002 0.000 0.814 343 A HN 0.609 nan 8.150 nan 0.000 0.444 344 N N -0.644 118.023 118.700 -0.055 0.000 2.058 344 N HA -0.156 4.584 4.740 -0.000 0.000 0.191 344 N C 1.660 177.105 175.510 -0.108 0.000 1.037 344 N CA 1.137 54.146 53.050 -0.069 0.000 0.848 344 N CB -0.162 38.293 38.487 -0.053 0.000 1.021 344 N HN 0.356 nan 8.380 nan 0.000 0.422 345 E N 1.170 121.313 120.200 -0.096 0.000 2.130 345 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 345 E C 2.037 178.512 176.600 -0.208 0.000 0.998 345 E CA 0.805 57.140 56.400 -0.109 0.000 0.806 345 E CB -0.235 29.432 29.700 -0.055 0.000 0.738 345 E HN 0.477 nan 8.360 nan 0.000 0.459 346 I N 0.309 120.719 120.570 -0.266 0.000 2.226 346 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 346 I C 2.559 178.239 176.117 -0.728 0.000 1.100 346 I CA 0.990 61.989 61.300 -0.501 0.000 1.374 346 I CB -0.202 37.540 38.000 -0.431 0.000 1.057 346 I HN -0.023 nan 8.210 nan 0.000 0.413 347 R N 0.152 120.373 120.500 -0.464 0.000 2.148 347 R HA -0.112 4.228 4.340 -0.000 0.000 0.227 347 R C 2.406 178.489 176.300 -0.361 0.000 1.103 347 R CA 0.763 56.594 56.100 -0.448 0.000 0.983 347 R CB -0.217 29.969 30.300 -0.190 0.000 0.874 347 R HN 0.326 nan 8.270 nan 0.000 0.451 348 R N 0.530 120.856 120.500 -0.289 0.000 2.066 348 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 348 R C 2.098 178.267 176.300 -0.219 0.000 1.131 348 R CA 1.497 57.474 56.100 -0.205 0.000 0.955 348 R CB -0.181 30.035 30.300 -0.141 0.000 0.851 348 R HN 0.169 nan 8.270 nan 0.000 0.432 349 A N 0.103 122.744 122.820 -0.298 0.000 1.902 349 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 349 A C 2.009 179.336 177.584 -0.429 0.000 1.181 349 A CA 1.332 53.243 52.037 -0.211 0.000 0.623 349 A CB -0.876 17.982 19.000 -0.236 0.000 0.818 349 A HN 0.619 nan 8.150 nan 0.000 0.443 350 Y N 0.776 120.389 120.300 -1.144 0.000 2.145 350 Y HA -0.099 4.451 4.550 -0.000 0.000 0.286 350 Y C 2.612 178.248 175.900 -0.441 0.000 1.145 350 Y CA 1.247 58.717 58.100 -1.050 0.000 1.148 350 Y CB -0.712 36.832 38.460 -1.527 0.000 0.981 350 Y HN 0.292 nan 8.280 nan 0.000 0.507 351 A N 0.216 122.749 122.820 -0.478 0.000 1.902 351 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 351 A C 2.115 179.562 177.584 -0.229 0.000 1.181 351 A CA 1.933 53.741 52.037 -0.382 0.000 0.623 351 A CB -0.726 18.145 19.000 -0.215 0.000 0.818 351 A HN 0.690 nan 8.150 nan 0.000 0.443 352 Q N -0.738 119.008 119.800 -0.090 0.000 2.119 352 Q HA -0.024 4.316 4.340 -0.000 0.000 0.201 352 Q C 2.361 178.530 176.000 0.281 0.000 0.972 352 Q CA 1.161 57.021 55.803 0.094 0.000 0.847 352 Q CB -0.360 28.475 28.738 0.161 0.000 0.903 352 Q HN 0.680 nan 8.270 nan 0.000 0.433 353 A N 0.858 123.781 122.820 0.172 0.000 1.972 353 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 353 A C 1.988 179.533 177.584 -0.065 0.000 1.169 353 A CA 0.949 52.988 52.037 0.004 0.000 0.635 353 A CB -0.515 18.398 19.000 -0.145 0.000 0.810 353 A HN 0.289 nan 8.150 nan 0.000 0.446 354 L N -0.703 120.402 121.223 -0.197 0.000 2.291 354 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 354 L C 1.992 178.805 176.870 -0.095 0.000 1.120 354 L CA 0.522 55.237 54.840 -0.208 0.000 0.799 354 L CB -0.310 41.531 42.059 -0.364 0.000 0.925 354 L HN 0.372 nan 8.230 nan 0.000 0.446 355 L N -0.857 120.339 121.223 -0.046 0.000 2.492 355 L HA 0.023 4.363 4.340 -0.000 0.000 0.223 355 L C 0.758 177.646 176.870 0.029 0.000 1.132 355 L CA -0.271 54.560 54.840 -0.016 0.000 0.850 355 L CB -0.097 41.951 42.059 -0.018 0.000 0.966 355 L HN -0.050 nan 8.230 nan 0.000 0.454 356 V N 1.373 121.327 119.914 0.066 0.000 2.540 356 V HA -0.119 4.001 4.120 -0.000 0.000 0.297 356 V C 0.523 176.645 176.094 0.047 0.000 1.024 356 V CA 0.133 62.487 62.300 0.090 0.000 1.105 356 V CB 0.602 32.488 31.823 0.105 0.000 0.938 356 V HN 0.151 nan 8.190 nan 0.000 0.482 357 D N 5.865 126.298 120.400 0.055 0.000 2.416 357 D HA 0.055 4.695 4.640 -0.000 0.000 0.240 357 D C 1.411 177.728 176.300 0.029 0.000 1.250 357 D CA -0.264 53.757 54.000 0.034 0.000 0.967 357 D CB 0.455 41.281 40.800 0.042 0.000 1.059 357 D HN 0.352 nan 8.370 nan 0.000 0.512 358 R N 2.825 123.331 120.500 0.011 0.000 2.105 358 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 358 R C 1.787 178.077 176.300 -0.015 0.000 1.135 358 R CA 1.265 57.366 56.100 0.001 0.000 0.967 358 R CB -0.871 29.423 30.300 -0.010 0.000 0.861 358 R HN 0.484 nan 8.270 nan 0.000 0.442 359 A N 1.207 124.011 122.820 -0.027 0.000 1.873 359 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 359 A C 2.436 179.964 177.584 -0.093 0.000 1.186 359 A CA 1.794 53.799 52.037 -0.052 0.000 0.616 359 A CB -0.631 18.340 19.000 -0.049 0.000 0.823 359 A HN 0.340 nan 8.150 nan 0.000 0.442 360 A N -0.561 122.207 122.820 -0.087 0.000 1.902 360 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 360 A C 2.144 179.622 177.584 -0.177 0.000 1.181 360 A CA 1.754 53.681 52.037 -0.184 0.000 0.623 360 A CB -0.656 18.328 19.000 -0.026 0.000 0.818 360 A HN 0.663 nan 8.150 nan 0.000 0.443 361 L N -0.054 121.184 121.223 0.026 0.000 2.012 361 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 361 L C 2.626 179.519 176.870 0.038 0.000 1.073 361 L CA 2.651 57.560 54.840 0.114 0.000 0.748 361 L CB -0.847 41.267 42.059 0.091 0.000 0.891 361 L HN 0.362 nan 8.230 nan 0.000 0.431 362 S N -0.676 115.011 115.700 -0.021 0.000 2.383 362 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 362 S C 2.049 176.611 174.600 -0.064 0.000 1.030 362 S CA 1.335 59.515 58.200 -0.033 0.000 1.002 362 S CB -0.884 62.290 63.200 -0.043 0.000 0.829 362 S HN 0.676 nan 8.310 nan 0.000 0.467 363 G N -0.530 108.176 108.800 -0.155 0.000 2.421 363 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.216 363 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.216 363 G C 1.130 175.927 174.900 -0.171 0.000 1.171 363 G CA 0.908 45.875 45.100 -0.222 0.000 0.775 363 G HN 0.600 nan 8.290 nan 0.000 0.543 364 Y N 0.998 121.299 120.300 0.002 0.000 2.293 364 Y HA -0.019 4.531 4.550 -0.000 0.000 0.291 364 Y C 3.085 178.987 175.900 0.002 0.000 1.137 364 Y CA 1.009 59.111 58.100 0.004 0.000 1.202 364 Y CB -0.429 38.035 38.460 0.008 0.000 0.990 364 Y HN 0.292 nan 8.280 nan 0.000 0.537 365 Q N -0.159 119.718 119.800 0.129 0.000 2.046 365 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 365 Q C 1.974 178.001 176.000 0.045 0.000 0.975 365 Q CA 1.265 57.112 55.803 0.074 0.000 0.836 365 Q CB -0.098 28.666 28.738 0.043 0.000 0.896 365 Q HN 0.390 nan 8.270 nan 0.000 0.428 366 E N 0.971 121.184 120.200 0.022 0.000 2.153 366 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 366 E C 1.135 177.748 176.600 0.021 0.000 0.988 366 E CA 0.945 57.351 56.400 0.010 0.000 0.811 366 E CB -0.067 29.626 29.700 -0.011 0.000 0.746 366 E HN 0.374 nan 8.360 nan 0.000 0.466 367 D N 0.129 120.552 120.400 0.039 0.000 2.340 367 D HA -0.005 4.635 4.640 -0.000 0.000 0.220 367 D C -0.221 176.116 176.300 0.061 0.000 1.039 367 D CA 0.012 54.043 54.000 0.051 0.000 0.866 367 D CB -0.239 40.605 40.800 0.073 0.000 0.913 367 D HN 0.146 nan 8.370 nan 0.000 0.523 368 N N 1.267 120.004 118.700 0.061 0.000 2.740 368 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 368 N C -0.718 174.825 175.510 0.056 0.000 1.062 368 N CA 0.418 53.499 53.050 0.050 0.000 0.704 368 N CB -0.680 37.826 38.487 0.032 0.000 0.968 368 N HN 0.075 nan 8.380 nan 0.000 0.547 369 D N -0.016 120.439 120.400 0.092 0.000 2.564 369 D HA 0.460 5.100 4.640 -0.000 0.000 0.226 369 D C 1.137 177.441 176.300 0.006 0.000 1.149 369 D CA 0.326 54.363 54.000 0.062 0.000 0.994 369 D CB 0.092 40.982 40.800 0.149 0.000 1.029 369 D HN 0.380 nan 8.370 nan 0.000 0.517 370 A N 3.251 126.071 122.820 0.001 0.000 1.892 370 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 370 A C 2.077 179.633 177.584 -0.048 0.000 1.188 370 A CA 1.172 53.203 52.037 -0.009 0.000 0.631 370 A CB -0.584 18.414 19.000 -0.002 0.000 0.822 370 A HN 0.583 nan 8.150 nan 0.000 0.447 371 L N -1.306 119.874 121.223 -0.072 0.000 1.989 371 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 371 L C 2.489 179.254 176.870 -0.175 0.000 1.071 371 L CA 2.104 56.886 54.840 -0.097 0.000 0.749 371 L CB -0.248 41.758 42.059 -0.089 0.000 0.890 371 L HN 0.307 nan 8.230 nan 0.000 0.431 372 M N -0.806 118.599 119.600 -0.325 0.000 2.319 372 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 372 M C 2.385 178.351 176.300 -0.556 0.000 1.068 372 M CA 1.501 56.411 55.300 -0.650 0.000 1.118 372 M CB -1.566 30.208 32.600 -1.378 0.000 1.395 372 M HN 0.474 nan 8.290 nan 0.000 0.435 373 A N -0.677 121.985 122.820 -0.264 0.000 1.873 373 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 373 A C 2.392 179.992 177.584 0.026 0.000 1.186 373 A CA 2.341 54.388 52.037 0.016 0.000 0.616 373 A CB -1.167 17.883 19.000 0.084 0.000 0.823 373 A HN 0.421 nan 8.150 nan 0.000 0.442 374 T N -1.015 113.538 114.554 -0.001 0.000 2.867 374 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 374 T C 1.898 176.622 174.700 0.041 0.000 1.057 374 T CA 1.785 63.912 62.100 0.046 0.000 1.136 374 T CB -0.214 68.676 68.868 0.036 0.000 0.874 374 T HN 0.598 nan 8.240 nan 0.000 0.466 375 E N 0.422 120.604 120.200 -0.030 0.000 2.150 375 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 375 E C 2.121 178.725 176.600 0.008 0.000 0.985 375 E CA 1.444 57.823 56.400 -0.034 0.000 0.814 375 E CB -0.607 29.037 29.700 -0.093 0.000 0.752 375 E HN 0.382 nan 8.360 nan 0.000 0.466 376 T N 0.820 115.391 114.554 0.030 0.000 2.821 376 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 376 T C 1.711 176.495 174.700 0.139 0.000 1.046 376 T CA 1.188 63.351 62.100 0.105 0.000 1.139 376 T CB -0.147 68.836 68.868 0.192 0.000 0.871 376 T HN 0.142 nan 8.240 nan 0.000 0.454 377 L N 0.298 121.627 121.223 0.176 0.000 2.072 377 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 377 L C 2.752 179.766 176.870 0.241 0.000 1.079 377 L CA 0.944 55.965 54.840 0.302 0.000 0.752 377 L CB -0.390 41.895 42.059 0.377 0.000 0.906 377 L HN 0.062 nan 8.230 nan 0.000 0.436 378 K N 0.507 120.996 120.400 0.149 0.000 2.097 378 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 378 K C 2.122 178.725 176.600 0.006 0.000 1.049 378 K CA 1.210 57.531 56.287 0.057 0.000 0.933 378 K CB -0.296 32.199 32.500 -0.007 0.000 0.717 378 K HN 0.303 nan 8.250 nan 0.000 0.442 379 R N 0.171 120.680 120.500 0.016 0.000 2.127 379 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 379 R C 2.259 178.543 176.300 -0.027 0.000 1.134 379 R CA 1.366 57.459 56.100 -0.011 0.000 0.975 379 R CB -0.258 30.047 30.300 0.010 0.000 0.865 379 R HN 0.174 nan 8.270 nan 0.000 0.447 380 A N -0.016 122.813 122.820 0.015 0.000 1.898 380 A HA -0.156 4.164 4.320 -0.000 0.000 0.214 380 A C 1.917 179.428 177.584 -0.121 0.000 1.183 380 A CA 0.748 52.791 52.037 0.011 0.000 0.622 380 A CB -0.601 18.500 19.000 0.168 0.000 0.824 380 A HN 0.399 nan 8.150 nan 0.000 0.444 381 Y N 0.868 120.894 120.300 -0.458 0.000 2.181 381 Y HA -0.148 4.402 4.550 0.000 0.000 0.288 381 Y C 2.351 178.035 175.900 -0.361 0.000 1.146 381 Y CA 1.850 59.524 58.100 -0.709 0.000 1.164 381 Y CB -0.266 37.624 38.460 -0.950 0.000 0.982 381 Y HN 0.224 nan 8.280 nan 0.000 0.515 382 R N -0.218 120.069 120.500 -0.355 0.000 2.241 382 R HA -0.044 4.296 4.340 -0.000 0.000 0.224 382 R C 0.398 176.511 176.300 -0.311 0.000 1.101 382 R CA 1.000 56.883 56.100 -0.361 0.000 0.995 382 R CB -0.643 29.543 30.300 -0.190 0.000 0.870 382 R HN 0.185 nan 8.270 nan 0.000 0.463 383 T N 1.560 115.959 114.554 -0.258 0.000 2.853 383 T HA -0.035 4.315 4.350 -0.000 0.000 0.298 383 T C -0.152 174.416 174.700 -0.219 0.000 0.978 383 T CA -0.070 61.911 62.100 -0.197 0.000 1.152 383 T CB 0.896 69.676 68.868 -0.146 0.000 0.914 383 T HN 0.009 nan 8.240 nan 0.000 0.539 384 D N 3.270 123.563 120.400 -0.180 0.000 2.374 384 D HA 0.118 4.758 4.640 -0.000 0.000 0.240 384 D C 1.033 177.255 176.300 -0.130 0.000 1.229 384 D CA -0.746 53.157 54.000 -0.161 0.000 0.895 384 D CB 0.397 41.118 40.800 -0.131 0.000 1.046 384 D HN 0.330 nan 8.370 nan 0.000 0.498 385 V N 1.659 121.495 119.914 -0.130 0.000 3.577 385 V HA 0.161 4.281 4.120 -0.000 0.000 0.294 385 V C 1.632 177.686 176.094 -0.067 0.000 1.317 385 V CA -0.024 62.215 62.300 -0.102 0.000 1.169 385 V CB 0.032 31.789 31.823 -0.110 0.000 1.011 385 V HN 0.296 nan 8.190 nan 0.000 0.426 386 E N 2.584 122.745 120.200 -0.065 0.000 2.130 386 E HA -0.114 4.236 4.350 -0.000 0.000 0.196 386 E C -0.224 176.376 176.600 0.001 0.000 0.998 386 E CA 2.266 58.642 56.400 -0.040 0.000 0.806 386 E CB -1.384 28.290 29.700 -0.044 0.000 0.738 386 E HN 0.511 nan 8.360 nan 0.000 0.459 387 P HA -0.095 nan 4.420 nan 0.000 0.217 387 P C 1.234 178.662 177.300 0.213 0.000 1.150 387 P CA 1.315 64.485 63.100 0.117 0.000 0.832 387 P CB -0.038 31.727 31.700 0.108 0.000 0.787 388 I N -1.793 118.868 120.570 0.151 0.000 2.226 388 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 388 I C 1.902 178.075 176.117 0.093 0.000 1.100 388 I CA 1.229 62.641 61.300 0.188 0.000 1.374 388 I CB -0.736 37.301 38.000 0.063 0.000 1.057 388 I HN -0.097 nan 8.210 nan 0.000 0.413 389 L N 0.910 122.152 121.223 0.031 0.000 2.046 389 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 389 L C 2.712 179.587 176.870 0.008 0.000 1.077 389 L CA 2.102 56.944 54.840 0.004 0.000 0.747 389 L CB -1.157 40.886 42.059 -0.027 0.000 0.896 389 L HN 0.193 nan 8.230 nan 0.000 0.432 390 A N -0.766 122.063 122.820 0.014 0.000 1.873 390 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 390 A C 2.322 179.893 177.584 -0.023 0.000 1.186 390 A CA 1.578 53.615 52.037 -0.001 0.000 0.616 390 A CB -0.536 18.467 19.000 0.004 0.000 0.823 390 A HN 0.378 nan 8.150 nan 0.000 0.442 391 E N 0.468 120.646 120.200 -0.036 0.000 2.077 391 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 391 E C 1.978 178.523 176.600 -0.090 0.000 0.989 391 E CA 1.667 57.980 56.400 -0.145 0.000 0.800 391 E CB -0.507 28.960 29.700 -0.388 0.000 0.746 391 E HN 0.450 nan 8.360 nan 0.000 0.452 392 A N 0.856 123.661 122.820 -0.025 0.000 1.908 392 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 392 A C 2.258 179.846 177.584 0.006 0.000 1.181 392 A CA 1.819 53.858 52.037 0.002 0.000 0.627 392 A CB -0.522 18.496 19.000 0.029 0.000 0.818 392 A HN 0.232 nan 8.150 nan 0.000 0.445 393 R N -1.181 119.321 120.500 0.004 0.000 2.073 393 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 393 R C 2.572 178.869 176.300 -0.004 0.000 1.134 393 R CA 1.452 57.557 56.100 0.010 0.000 0.952 393 R CB -0.367 29.936 30.300 0.004 0.000 0.850 393 R HN 0.557 nan 8.270 nan 0.000 0.433 394 R N 1.230 121.714 120.500 -0.026 0.000 2.083 394 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 394 R C 2.027 178.305 176.300 -0.037 0.000 1.137 394 R CA 1.625 57.702 56.100 -0.038 0.000 0.951 394 R CB -0.028 30.234 30.300 -0.063 0.000 0.851 394 R HN 0.185 nan 8.270 nan 0.000 0.434 395 R N -0.574 119.901 120.500 -0.042 0.000 2.280 395 R HA -0.025 4.315 4.340 -0.000 0.000 0.207 395 R C 1.328 177.627 176.300 -0.002 0.000 1.043 395 R CA 1.444 57.525 56.100 -0.032 0.000 1.006 395 R CB 0.124 30.398 30.300 -0.044 0.000 0.885 395 R HN 0.360 nan 8.270 nan 0.000 0.467 396 T N -3.772 110.789 114.554 0.013 0.000 3.129 396 T HA 0.303 4.652 4.350 -0.000 0.000 0.267 396 T C 1.095 175.817 174.700 0.036 0.000 1.018 396 T CA 0.213 62.335 62.100 0.036 0.000 0.903 396 T CB 1.177 70.084 68.868 0.066 0.000 1.067 396 T HN 0.301 nan 8.240 nan 0.000 0.549 397 G N 0.065 108.876 108.800 0.017 0.000 2.131 397 G HA2 0.018 3.978 3.960 -0.000 0.000 0.223 397 G HA3 0.018 3.978 3.960 -0.000 0.000 0.223 397 G C 0.371 175.280 174.900 0.015 0.000 0.990 397 G CA -0.310 44.799 45.100 0.015 0.000 0.671 397 G HN 0.999 nan 8.290 nan 0.000 0.521 398 G N -0.711 108.096 108.800 0.012 0.000 2.642 398 G HA2 0.882 4.842 3.960 -0.000 0.000 0.291 398 G HA3 0.882 4.842 3.960 -0.000 0.000 0.291 398 G C 0.094 174.993 174.900 -0.003 0.000 1.345 398 G CA 0.132 45.238 45.100 0.011 0.000 1.043 398 G HN 1.507 nan 8.290 nan 0.000 0.528 399 A N -1.137 121.682 122.820 -0.002 0.000 2.305 399 A HA 0.571 4.891 4.320 -0.000 0.000 0.322 399 A C 1.179 178.758 177.584 -0.008 0.000 1.187 399 A CA -0.492 51.542 52.037 -0.005 0.000 0.825 399 A CB 1.570 20.572 19.000 0.003 0.000 1.164 399 A HN 0.693 nan 8.150 nan 0.000 0.498 400 V N 1.280 121.186 119.914 -0.013 0.000 2.287 400 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 400 V C 0.875 176.964 176.094 -0.008 0.000 1.053 400 V CA 2.400 64.692 62.300 -0.014 0.000 1.027 400 V CB -0.306 31.507 31.823 -0.017 0.000 0.646 400 V HN 0.885 nan 8.190 nan 0.000 0.447 401 D N -1.314 119.083 120.400 -0.004 0.000 2.438 401 D HA 0.237 4.877 4.640 -0.000 0.000 0.257 401 D C -1.953 174.353 176.300 0.010 0.000 1.148 401 D CA -2.046 51.955 54.000 0.001 0.000 0.902 401 D CB 1.930 42.732 40.800 0.003 0.000 1.062 401 D HN 0.064 nan 8.370 nan 0.000 0.518 402 P HA -0.173 nan 4.420 nan 0.000 0.214 402 P C 1.656 178.979 177.300 0.038 0.000 1.163 402 P CA 0.727 63.832 63.100 0.008 0.000 0.889 402 P CB 0.497 32.186 31.700 -0.019 0.000 0.790 403 V N -0.264 119.665 119.914 0.026 0.000 2.427 403 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 403 V C 2.431 178.599 176.094 0.122 0.000 1.051 403 V CA 2.135 64.476 62.300 0.068 0.000 1.048 403 V CB -1.740 30.100 31.823 0.028 0.000 0.666 403 V HN 0.104 nan 8.190 nan 0.000 0.456 404 A N -0.064 122.797 122.820 0.069 0.000 1.877 404 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 404 A C 2.409 180.028 177.584 0.058 0.000 1.186 404 A CA 2.468 54.538 52.037 0.055 0.000 0.620 404 A CB -0.998 18.019 19.000 0.028 0.000 0.822 404 A HN 0.490 nan 8.150 nan 0.000 0.443 405 T N -1.479 113.110 114.554 0.059 0.000 2.788 405 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 405 T C 1.775 176.520 174.700 0.075 0.000 1.044 405 T CA 1.639 63.768 62.100 0.049 0.000 1.139 405 T CB -0.430 68.461 68.868 0.039 0.000 0.867 405 T HN 0.576 nan 8.240 nan 0.000 0.454 406 Y N 2.206 122.499 120.300 -0.012 0.000 2.181 406 Y HA -0.120 4.430 4.550 -0.000 0.000 0.288 406 Y C 2.433 178.349 175.900 0.027 0.000 1.146 406 Y CA 1.259 59.355 58.100 -0.006 0.000 1.164 406 Y CB -0.162 38.284 38.460 -0.023 0.000 0.982 406 Y HN 0.011 nan 8.280 nan 0.000 0.515 407 R N -0.241 120.259 120.500 0.001 0.000 2.090 407 R HA -0.040 4.300 4.340 -0.000 0.000 0.228 407 R C 2.453 178.701 176.300 -0.087 0.000 1.110 407 R CA 0.936 56.986 56.100 -0.083 0.000 0.973 407 R CB -0.517 29.803 30.300 0.034 0.000 0.869 407 R HN 0.416 nan 8.270 nan 0.000 0.440 408 A N 1.112 123.907 122.820 -0.041 0.000 2.015 408 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 408 A C 2.172 179.728 177.584 -0.046 0.000 1.163 408 A CA 1.648 53.666 52.037 -0.033 0.000 0.646 408 A CB -0.354 18.638 19.000 -0.012 0.000 0.806 408 A HN 0.408 nan 8.150 nan 0.000 0.448 409 S N -1.499 114.163 115.700 -0.064 0.000 2.428 409 S HA 0.279 4.749 4.470 -0.000 0.000 0.230 409 S C 1.591 176.158 174.600 -0.055 0.000 1.014 409 S CA 1.232 59.406 58.200 -0.044 0.000 0.957 409 S CB -0.644 62.543 63.200 -0.021 0.000 0.784 409 S HN 1.926 nan 8.310 nan 0.000 0.499 410 G N 0.300 109.028 108.800 -0.120 0.000 2.153 410 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.252 410 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.252 410 G C 0.233 175.072 174.900 -0.102 0.000 0.994 410 G CA 0.470 45.504 45.100 -0.110 0.000 0.698 410 G HN 0.601 nan 8.290 nan 0.000 0.521 411 Y N 0.920 121.055 120.300 -0.275 0.000 2.114 411 Y HA -0.214 4.336 4.550 -0.000 0.000 0.282 411 Y C 2.810 178.636 175.900 -0.122 0.000 1.165 411 Y CA 2.874 60.864 58.100 -0.184 0.000 1.148 411 Y CB -0.186 38.165 38.460 -0.182 0.000 0.972 411 Y HN 0.334 nan 8.280 nan 0.000 0.504 412 R N 0.897 121.348 120.500 -0.081 0.000 2.091 412 R HA -0.161 4.178 4.340 -0.000 0.000 0.238 412 R C 2.253 178.502 176.300 -0.085 0.000 1.136 412 R CA 1.810 57.901 56.100 -0.015 0.000 0.959 412 R CB -1.221 29.117 30.300 0.065 0.000 0.856 412 R HN 0.427 nan 8.270 nan 0.000 0.437 413 A N 0.743 123.508 122.820 -0.092 0.000 1.933 413 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 413 A C 2.273 179.796 177.584 -0.103 0.000 1.175 413 A CA 1.564 53.557 52.037 -0.075 0.000 0.628 413 A CB -0.650 18.313 19.000 -0.061 0.000 0.814 413 A HN 0.443 nan 8.150 nan 0.000 0.444 414 R N 0.264 120.672 120.500 -0.154 0.000 2.088 414 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 414 R C 2.093 178.269 176.300 -0.206 0.000 1.136 414 R CA 2.580 58.574 56.100 -0.177 0.000 0.926 414 R CB -0.729 29.440 30.300 -0.218 0.000 0.837 414 R HN 0.492 nan 8.270 nan 0.000 0.429 415 V N -1.170 118.544 119.914 -0.334 0.000 2.594 415 V HA -0.030 4.090 4.120 -0.000 0.000 0.253 415 V C 2.361 178.384 176.094 -0.118 0.000 1.069 415 V CA 1.635 63.782 62.300 -0.254 0.000 1.082 415 V CB -1.126 30.500 31.823 -0.328 0.000 0.680 415 V HN 0.428 nan 8.190 nan 0.000 0.469 416 A N 0.592 123.354 122.820 -0.096 0.000 2.019 416 A HA 0.189 4.509 4.320 -0.000 0.000 0.219 416 A C 2.373 179.935 177.584 -0.036 0.000 1.164 416 A CA 1.912 53.924 52.037 -0.043 0.000 0.644 416 A CB -0.720 18.263 19.000 -0.029 0.000 0.805 416 A HN 0.932 nan 8.150 nan 0.000 0.449 417 A N -0.416 122.374 122.820 -0.051 0.000 2.072 417 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 417 A C 1.763 179.329 177.584 -0.031 0.000 1.156 417 A CA 1.073 53.089 52.037 -0.036 0.000 0.701 417 A CB -0.187 18.790 19.000 -0.040 0.000 0.816 417 A HN 0.607 nan 8.150 nan 0.000 0.458 418 E N -0.308 119.867 120.200 -0.042 0.000 2.276 418 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 418 E C 0.309 176.901 176.600 -0.013 0.000 0.983 418 E CA 0.117 56.499 56.400 -0.029 0.000 0.861 418 E CB 0.183 29.859 29.700 -0.041 0.000 0.817 418 E HN 0.463 nan 8.360 nan 0.000 0.485 419 R N 1.967 122.460 120.500 -0.012 0.000 2.598 419 R HA 0.301 4.641 4.340 -0.000 0.000 0.279 419 R C -2.335 173.970 176.300 0.009 0.000 0.984 419 R CA -2.044 54.060 56.100 0.006 0.000 0.999 419 R CB 0.453 30.761 30.300 0.013 0.000 1.114 419 R HN -0.036 nan 8.270 nan 0.000 0.493 420 P HA 0.026 nan 4.420 nan 0.000 0.269 420 P C -0.721 176.590 177.300 0.018 0.000 1.215 420 P CA -0.199 62.910 63.100 0.016 0.000 0.780 420 P CB 0.659 32.371 31.700 0.019 0.000 0.898 421 A N 2.456 125.286 122.820 0.017 0.000 2.406 421 A HA 0.411 4.731 4.320 -0.000 0.000 0.243 421 A C 0.490 178.088 177.584 0.023 0.000 1.082 421 A CA 0.047 52.096 52.037 0.021 0.000 0.786 421 A CB -0.255 18.757 19.000 0.020 0.000 1.029 421 A HN 0.569 nan 8.150 nan 0.000 0.495 422 S N -1.420 114.297 115.700 0.028 0.000 2.689 422 S HA 0.702 5.172 4.470 -0.000 0.000 0.306 422 S C -0.365 174.253 174.600 0.029 0.000 1.104 422 S CA -0.122 58.094 58.200 0.027 0.000 0.973 422 S CB 1.674 64.893 63.200 0.031 0.000 1.121 422 S HN 1.516 nan 8.310 nan 0.000 0.523 423 V N -0.970 118.957 119.914 0.022 0.000 2.735 423 V HA 0.978 5.098 4.120 -0.000 0.000 0.310 423 V C 0.022 176.122 176.094 0.010 0.000 1.061 423 V CA -1.170 61.143 62.300 0.022 0.000 0.913 423 V CB 0.882 32.714 31.823 0.015 0.000 1.005 423 V HN 1.020 nan 8.190 nan 0.000 0.428 424 A N 2.627 125.458 122.820 0.017 0.000 2.296 424 A HA 0.980 5.300 4.320 -0.000 0.000 0.264 424 A C 0.685 178.231 177.584 -0.065 0.000 1.097 424 A CA 0.349 52.367 52.037 -0.031 0.000 0.811 424 A CB 0.521 19.536 19.000 0.025 0.000 1.072 424 A HN 2.449 nan 8.150 nan 0.000 0.495 425 G N -1.886 106.829 108.800 -0.142 0.000 2.430 425 G HA2 0.590 4.550 3.960 -0.000 0.000 0.300 425 G HA3 0.590 4.550 3.960 -0.000 0.000 0.300 425 G C -0.290 174.525 174.900 -0.141 0.000 1.330 425 G CA -0.016 45.023 45.100 -0.102 0.000 0.813 425 G HN 1.361 nan 8.290 nan 0.000 0.487 426 G N -1.142 107.612 108.800 -0.075 0.000 2.504 426 G HA2 0.658 4.618 3.960 -0.000 0.000 0.288 426 G HA3 0.658 4.618 3.960 -0.000 0.000 0.288 426 G C 0.630 175.497 174.900 -0.056 0.000 1.182 426 G CA 0.506 45.572 45.100 -0.056 0.000 0.894 426 G HN 1.128 nan 8.290 nan 0.000 0.521 427 G N -0.901 107.871 108.800 -0.048 0.000 2.494 427 G HA2 0.416 4.376 3.960 -0.000 0.000 0.270 427 G HA3 0.416 4.376 3.960 -0.000 0.000 0.270 427 G C 1.237 176.106 174.900 -0.053 0.000 1.423 427 G CA 0.186 45.254 45.100 -0.054 0.000 1.055 427 G HN 1.017 nan 8.290 nan 0.000 0.536 428 G N -0.849 107.922 108.800 -0.048 0.000 2.708 428 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.210 428 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.210 428 G C 1.520 176.385 174.900 -0.057 0.000 1.141 428 G CA 0.597 45.680 45.100 -0.029 0.000 0.788 428 G HN 0.404 nan 8.290 nan 0.000 0.531 429 I N 1.028 121.522 120.570 -0.126 0.000 2.185 429 I HA -0.053 4.117 4.170 -0.000 0.000 0.246 429 I C 1.199 177.280 176.117 -0.059 0.000 1.088 429 I CA 1.102 62.307 61.300 -0.158 0.000 1.347 429 I CB 0.006 37.852 38.000 -0.257 0.000 1.041 429 I HN 0.361 nan 8.210 nan 0.000 0.415 430 I N 0.000 120.552 120.570 -0.030 0.000 2.984 430 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 430 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 430 I CB 0.000 38.006 38.000 0.010 0.000 1.214 430 I HN 0.000 nan 8.210 nan 0.000 0.494