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 2on3_1_B DATA FIRST_RESID 7 DATA SEQUENCE EEFDCHFLDE GFTAKDILDQ KINEVSSSDD KDAFYVADLG DILKKHLRWL DATA SEQUENCE KALPRVTPFY AVKCNDSKAI VKTLAATGTG FDCASKTEIQ LVQSLGVPPE DATA SEQUENCE RIIYANPCKQ VSQIKYAANN GVQMMTFDSE VELMKVARAH PKAKLVLRIA DATA SEQUENCE TXXXXXXXXX XVKFGATLRT SRLLLERAKE LNIDVVGVSF HVGSGCTDPE DATA SEQUENCE TFVQAISDAR CVFDMGAEVG FSMYLLDIGG GFPGSEDVKL KFEEITGVIN DATA SEQUENCE PALDKYFPSD SGVRIIAEPG RYYVASAFTL AVNIIAKKIV LXXXXXXXXX DATA SEQUENCE XXXXEQTFMY YVNDGVYGSF NCILYDHAHV KPLLQKRPKP DEKYYSSSIW DATA SEQUENCE GPTCDGLDRI VERCDLPEMH VGDWMLFENM GAYTVAAAST FNGFQRPTIY DATA SEQUENCE YVMSGPAWQL MQQFQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.299 176.600 -0.502 0.000 1.382 7 E CA 0.000 55.948 56.400 -0.754 0.000 0.976 7 E CB 0.000 29.083 29.700 -1.029 0.000 0.812 8 E N 0.783 120.682 120.200 -0.502 0.000 2.887 8 E HA 0.287 4.651 4.350 0.023 0.000 0.206 8 E C -0.918 175.689 176.600 0.011 0.000 0.983 8 E CA -0.096 56.216 56.400 -0.147 0.000 1.141 8 E CB 0.217 29.917 29.700 0.001 0.000 1.061 8 E HN 0.468 nan 8.360 nan 0.000 0.468 9 F N -1.969 117.959 119.950 -0.038 0.000 2.601 9 F HA 0.466 5.005 4.527 0.020 0.000 0.309 9 F C -0.057 175.756 175.800 0.022 0.000 1.089 9 F CA -1.472 56.529 58.000 0.001 0.000 0.940 9 F CB 0.872 39.831 39.000 -0.067 0.000 1.273 9 F HN -0.361 nan 8.300 nan 0.000 0.450 10 D N 2.451 123.033 120.400 0.304 0.000 2.541 10 D HA 0.019 4.672 4.640 0.023 0.000 0.231 10 D C -0.787 175.692 176.300 0.298 0.000 1.163 10 D CA 0.399 54.534 54.000 0.225 0.000 1.077 10 D CB 0.100 41.035 40.800 0.226 0.000 1.110 10 D HN 0.701 nan 8.370 nan 0.000 0.499 11 C N 4.476 123.838 119.300 0.104 0.000 2.265 11 C HA 0.436 4.909 4.460 0.023 0.000 0.332 11 C C -0.224 174.601 174.990 -0.275 0.000 1.248 11 C CA -0.472 58.582 59.018 0.061 0.000 1.727 11 C CB -0.853 26.927 27.740 0.065 0.000 2.348 11 C HN 0.551 nan 8.230 nan 0.000 0.519 12 H N 3.003 122.027 119.070 -0.076 0.000 2.569 12 H HA 0.478 5.046 4.556 0.019 0.000 0.357 12 H C -0.804 174.478 175.328 -0.077 0.000 1.153 12 H CA -0.230 55.716 56.048 -0.170 0.000 1.193 12 H CB 1.355 31.070 29.762 -0.078 0.000 1.602 12 H HN 0.665 nan 8.280 nan 0.000 0.523 13 F N 3.207 123.219 119.950 0.103 0.000 2.371 13 F HA 0.200 4.744 4.527 0.028 0.000 0.363 13 F C -0.005 175.816 175.800 0.035 0.000 1.122 13 F CA -0.964 57.064 58.000 0.047 0.000 1.129 13 F CB 0.601 39.582 39.000 -0.032 0.000 1.173 13 F HN 0.148 nan 8.300 nan 0.000 0.489 14 L N 4.362 125.734 121.223 0.247 0.000 2.540 14 L HA -0.023 4.331 4.340 0.023 0.000 0.276 14 L C 0.319 177.274 176.870 0.140 0.000 1.212 14 L CA -0.057 54.867 54.840 0.139 0.000 0.893 14 L CB -0.117 42.048 42.059 0.175 0.000 1.138 14 L HN 0.533 nan 8.230 nan 0.000 0.491 15 D N 1.602 122.071 120.400 0.115 0.000 2.393 15 D HA -0.000 4.653 4.640 0.023 0.000 0.246 15 D C 1.061 177.508 176.300 0.245 0.000 1.275 15 D CA -0.238 53.866 54.000 0.172 0.000 0.979 15 D CB 0.493 41.406 40.800 0.188 0.000 1.101 15 D HN 0.675 nan 8.370 nan 0.000 0.505 16 E N -0.049 120.256 120.200 0.175 0.000 2.054 16 E HA -0.229 4.134 4.350 0.023 0.000 0.225 16 E C 1.506 178.168 176.600 0.103 0.000 1.048 16 E CA 1.848 58.315 56.400 0.111 0.000 0.899 16 E CB -0.785 28.955 29.700 0.067 0.000 0.801 16 E HN 0.429 nan 8.360 nan 0.000 0.495 17 G N -0.523 108.307 108.800 0.049 0.000 3.210 17 G HA2 0.141 4.114 3.960 0.023 0.000 0.220 17 G HA3 0.141 4.114 3.960 0.023 0.000 0.220 17 G C -0.553 174.278 174.900 -0.114 0.000 1.200 17 G CA -0.535 44.533 45.100 -0.054 0.000 0.834 17 G HN 0.104 nan 8.290 nan 0.000 0.524 18 F N 1.597 121.557 119.950 0.017 0.000 2.404 18 F HA 0.430 4.973 4.527 0.026 0.000 0.345 18 F C 1.170 176.986 175.800 0.027 0.000 1.110 18 F CA -0.467 57.543 58.000 0.017 0.000 1.130 18 F CB 1.702 40.711 39.000 0.015 0.000 1.129 18 F HN -0.004 nan 8.300 nan 0.000 0.500 19 T N -0.181 114.488 114.554 0.192 0.000 2.948 19 T HA 0.619 4.983 4.350 0.023 0.000 0.285 19 T C 1.048 175.836 174.700 0.147 0.000 1.019 19 T CA -0.335 61.848 62.100 0.137 0.000 1.013 19 T CB 1.595 70.509 68.868 0.077 0.000 1.117 19 T HN 0.611 nan 8.240 nan 0.000 0.533 20 A N 0.859 123.745 122.820 0.109 0.000 1.873 20 A HA -0.136 4.198 4.320 0.023 0.000 0.218 20 A C 2.281 179.913 177.584 0.080 0.000 1.193 20 A CA 2.377 54.468 52.037 0.089 0.000 0.629 20 A CB -1.151 17.893 19.000 0.073 0.000 0.826 20 A HN 0.979 nan 8.150 nan 0.000 0.447 21 K N -0.671 119.771 120.400 0.070 0.000 2.147 21 K HA -0.180 4.153 4.320 0.023 0.000 0.205 21 K C 1.335 177.970 176.600 0.059 0.000 1.049 21 K CA 1.615 57.934 56.287 0.052 0.000 0.936 21 K CB -0.158 32.364 32.500 0.036 0.000 0.722 21 K HN 0.432 nan 8.250 nan 0.000 0.446 22 D N 0.657 121.113 120.400 0.093 0.000 2.144 22 D HA -0.151 4.503 4.640 0.023 0.000 0.199 22 D C 1.831 178.233 176.300 0.171 0.000 0.984 22 D CA 0.863 54.947 54.000 0.141 0.000 0.834 22 D CB 0.020 40.932 40.800 0.188 0.000 0.955 22 D HN 0.201 nan 8.370 nan 0.000 0.465 23 I N 0.789 121.439 120.570 0.132 0.000 2.252 23 I HA -0.189 3.994 4.170 0.023 0.000 0.245 23 I C 2.505 178.595 176.117 -0.045 0.000 1.102 23 I CA 0.507 61.807 61.300 -0.001 0.000 1.385 23 I CB -0.773 37.194 38.000 -0.055 0.000 1.064 23 I HN 0.041 nan 8.210 nan 0.000 0.414 24 L N 1.229 122.465 121.223 0.021 0.000 1.971 24 L HA -0.267 4.086 4.340 0.023 0.000 0.215 24 L C 2.098 178.961 176.870 -0.011 0.000 1.072 24 L CA 2.123 57.003 54.840 0.066 0.000 0.758 24 L CB -0.769 41.330 42.059 0.067 0.000 0.889 24 L HN 0.133 nan 8.230 nan 0.000 0.433 25 D N -0.862 119.529 120.400 -0.015 0.000 2.149 25 D HA -0.281 4.372 4.640 0.023 0.000 0.194 25 D C 2.090 178.362 176.300 -0.048 0.000 1.001 25 D CA 1.668 55.648 54.000 -0.033 0.000 0.849 25 D CB -0.121 40.678 40.800 -0.001 0.000 0.939 25 D HN 0.620 nan 8.370 nan 0.000 0.449 26 Q N 0.400 120.180 119.800 -0.032 0.000 2.016 26 Q HA -0.169 4.185 4.340 0.023 0.000 0.200 26 Q C 2.090 177.997 176.000 -0.155 0.000 0.978 26 Q CA 1.379 57.147 55.803 -0.059 0.000 0.833 26 Q CB -0.004 28.709 28.738 -0.041 0.000 0.895 26 Q HN 0.061 nan 8.270 nan 0.000 0.427 27 K N 0.157 120.409 120.400 -0.246 0.000 2.147 27 K HA -0.167 4.166 4.320 0.023 0.000 0.205 27 K C 2.079 178.460 176.600 -0.365 0.000 1.049 27 K CA 1.369 57.413 56.287 -0.405 0.000 0.936 27 K CB -0.264 31.806 32.500 -0.717 0.000 0.722 27 K HN 0.453 nan 8.250 nan 0.000 0.446 28 I N -1.093 119.293 120.570 -0.305 0.000 2.439 28 I HA -0.175 4.009 4.170 0.023 0.000 0.251 28 I C 1.416 177.446 176.117 -0.146 0.000 1.139 28 I CA 1.569 62.636 61.300 -0.387 0.000 1.438 28 I CB -0.355 37.181 38.000 -0.774 0.000 1.085 28 I HN 0.127 nan 8.210 nan 0.000 0.427 29 N N 0.825 119.461 118.700 -0.106 0.000 2.270 29 N HA -0.117 4.637 4.740 0.023 0.000 0.181 29 N C 1.186 176.677 175.510 -0.032 0.000 1.016 29 N CA 1.121 54.150 53.050 -0.036 0.000 0.870 29 N CB -0.023 38.446 38.487 -0.029 0.000 0.979 29 N HN 0.523 nan 8.380 nan 0.000 0.431 30 E N 0.567 120.720 120.200 -0.077 0.000 2.511 30 E HA 0.006 4.370 4.350 0.023 0.000 0.196 30 E C 0.168 176.742 176.600 -0.043 0.000 1.066 30 E CA 0.333 56.689 56.400 -0.074 0.000 0.871 30 E CB 0.310 29.935 29.700 -0.125 0.000 0.863 30 E HN 0.106 nan 8.360 nan 0.000 0.520 31 V N 1.932 121.841 119.914 -0.009 0.000 2.320 31 V HA 0.109 4.242 4.120 0.023 0.000 0.257 31 V C 0.674 176.848 176.094 0.134 0.000 0.996 31 V CA 0.063 62.400 62.300 0.063 0.000 0.928 31 V CB 0.699 32.583 31.823 0.102 0.000 1.169 31 V HN 0.146 nan 8.190 nan 0.000 0.475 32 S N -0.745 115.011 115.700 0.094 0.000 2.628 32 S HA 0.165 4.649 4.470 0.023 0.000 0.246 32 S C 1.083 175.729 174.600 0.076 0.000 1.062 32 S CA 0.125 58.390 58.200 0.109 0.000 1.028 32 S CB 0.566 63.820 63.200 0.091 0.000 0.985 32 S HN 0.420 nan 8.310 nan 0.000 0.551 33 S N 2.405 118.138 115.700 0.055 0.000 2.078 33 S HA 0.289 4.772 4.470 0.023 0.000 0.194 33 S C 0.632 175.259 174.600 0.045 0.000 1.346 33 S CA 0.163 58.387 58.200 0.040 0.000 1.309 33 S CB -0.468 62.749 63.200 0.027 0.000 0.721 33 S HN 0.552 nan 8.310 nan 0.000 0.396 34 S N 2.353 118.074 115.700 0.036 0.000 3.205 34 S HA -0.070 4.414 4.470 0.023 0.000 0.381 34 S C 0.551 175.182 174.600 0.052 0.000 1.122 34 S CA -0.022 58.200 58.200 0.036 0.000 1.485 34 S CB -1.220 61.997 63.200 0.028 0.000 1.058 34 S HN 0.538 nan 8.310 nan 0.000 0.570 35 D N 3.951 124.385 120.400 0.057 0.000 1.544 35 D HA -0.087 4.567 4.640 0.023 0.000 0.318 35 D C 0.183 176.540 176.300 0.094 0.000 1.307 35 D CA 1.089 55.137 54.000 0.079 0.000 1.092 35 D CB -0.701 40.134 40.800 0.059 0.000 1.993 35 D HN 0.683 nan 8.370 nan 0.000 0.653 36 D N -1.959 118.492 120.400 0.085 0.000 3.515 36 D HA -0.125 4.529 4.640 0.023 0.000 0.247 36 D C -1.167 175.233 176.300 0.167 0.000 1.084 36 D CA 0.324 54.387 54.000 0.105 0.000 1.030 36 D CB -0.531 40.327 40.800 0.096 0.000 0.946 36 D HN 0.386 nan 8.370 nan 0.000 0.420 37 K N 2.324 122.806 120.400 0.138 0.000 2.655 37 K HA 0.173 4.506 4.320 0.023 0.000 0.213 37 K C -0.617 176.055 176.600 0.121 0.000 1.126 37 K CA -0.674 55.714 56.287 0.169 0.000 1.076 37 K CB 0.639 33.056 32.500 -0.140 0.000 1.644 37 K HN 0.294 nan 8.250 nan 0.000 0.523 38 D N 1.564 122.156 120.400 0.320 0.000 2.302 38 D HA 0.121 4.774 4.640 0.023 0.000 0.248 38 D C 0.287 176.900 176.300 0.522 0.000 1.094 38 D CA -0.066 54.121 54.000 0.313 0.000 0.897 38 D CB 1.422 42.386 40.800 0.274 0.000 1.200 38 D HN 0.358 nan 8.370 nan 0.000 0.429 39 A N 2.204 125.239 122.820 0.359 0.000 2.520 39 A HA 0.362 4.696 4.320 0.023 0.000 0.235 39 A C -0.332 177.485 177.584 0.389 0.000 1.065 39 A CA 0.316 52.558 52.037 0.341 0.000 0.764 39 A CB -0.291 18.791 19.000 0.137 0.000 1.002 39 A HN 0.523 nan 8.150 nan 0.000 0.502 40 F N -0.715 119.362 119.950 0.211 0.000 2.654 40 F HA 0.695 5.241 4.527 0.031 0.000 0.308 40 F C -1.366 174.488 175.800 0.090 0.000 1.108 40 F CA -1.429 56.684 58.000 0.188 0.000 0.957 40 F CB 0.948 40.147 39.000 0.332 0.000 1.309 40 F HN 0.453 nan 8.300 nan 0.000 0.446 41 Y N 1.186 121.640 120.300 0.257 0.000 2.387 41 Y HA 0.668 5.229 4.550 0.019 0.000 0.330 41 Y C -0.363 175.640 175.900 0.172 0.000 1.133 41 Y CA -0.983 57.190 58.100 0.122 0.000 1.152 41 Y CB 2.183 40.699 38.460 0.092 0.000 1.215 41 Y HN 0.538 nan 8.280 nan 0.000 0.466 42 V N 3.004 123.043 119.914 0.209 0.000 2.326 42 V HA 0.586 4.720 4.120 0.023 0.000 0.281 42 V C -0.394 175.591 176.094 -0.182 0.000 1.015 42 V CA -0.978 61.366 62.300 0.074 0.000 0.823 42 V CB 0.927 32.832 31.823 0.136 0.000 1.009 42 V HN 0.836 nan 8.190 nan 0.000 0.436 43 A N 3.123 125.652 122.820 -0.485 0.000 2.280 43 A HA 0.553 4.887 4.320 0.023 0.000 0.320 43 A C -0.232 177.209 177.584 -0.239 0.000 1.366 43 A CA -0.370 51.172 52.037 -0.825 0.000 0.938 43 A CB 0.316 18.387 19.000 -1.547 0.000 1.157 43 A HN 0.755 nan 8.150 nan 0.000 0.536 44 D N 3.130 123.479 120.400 -0.085 0.000 2.365 44 D HA 0.251 4.905 4.640 0.023 0.000 0.237 44 D C 0.850 177.203 176.300 0.087 0.000 1.190 44 D CA -0.139 53.889 54.000 0.046 0.000 0.867 44 D CB 0.473 41.311 40.800 0.064 0.000 1.050 44 D HN 0.460 nan 8.370 nan 0.000 0.491 45 L N 2.947 124.249 121.223 0.132 0.000 2.291 45 L HA 0.079 4.433 4.340 0.023 0.000 0.214 45 L C 2.307 179.247 176.870 0.116 0.000 1.120 45 L CA 0.670 55.589 54.840 0.132 0.000 0.799 45 L CB -0.072 42.078 42.059 0.151 0.000 0.925 45 L HN 0.498 nan 8.230 nan 0.000 0.446 46 G N 0.009 108.887 108.800 0.129 0.000 2.418 46 G HA2 -0.327 3.647 3.960 0.023 0.000 0.217 46 G HA3 -0.327 3.647 3.960 0.023 0.000 0.217 46 G C 1.170 176.123 174.900 0.089 0.000 1.158 46 G CA 0.953 46.124 45.100 0.119 0.000 0.771 46 G HN 0.350 nan 8.290 nan 0.000 0.545 47 D N 0.292 120.738 120.400 0.077 0.000 2.149 47 D HA -0.100 4.554 4.640 0.023 0.000 0.198 47 D C 2.400 178.711 176.300 0.018 0.000 0.990 47 D CA 0.719 54.748 54.000 0.047 0.000 0.839 47 D CB -0.171 40.662 40.800 0.054 0.000 0.948 47 D HN 0.393 nan 8.370 nan 0.000 0.460 48 I N -0.208 120.387 120.570 0.041 0.000 2.202 48 I HA -0.225 3.959 4.170 0.023 0.000 0.242 48 I C 2.106 178.252 176.117 0.050 0.000 1.091 48 I CA 0.288 61.609 61.300 0.034 0.000 1.368 48 I CB -0.138 37.885 38.000 0.038 0.000 1.058 48 I HN 0.163 nan 8.210 nan 0.000 0.410 49 L N 0.637 121.897 121.223 0.062 0.000 1.956 49 L HA -0.280 4.074 4.340 0.023 0.000 0.216 49 L C 2.531 179.476 176.870 0.126 0.000 1.073 49 L CA 1.971 56.870 54.840 0.098 0.000 0.762 49 L CB -1.458 40.681 42.059 0.133 0.000 0.889 49 L HN 0.168 nan 8.230 nan 0.000 0.433 50 K N 0.013 120.469 120.400 0.093 0.000 2.097 50 K HA -0.232 4.101 4.320 0.023 0.000 0.214 50 K C 2.044 178.662 176.600 0.030 0.000 1.052 50 K CA 1.525 57.855 56.287 0.071 0.000 0.932 50 K CB -0.217 32.307 32.500 0.039 0.000 0.716 50 K HN 0.140 nan 8.250 nan 0.000 0.455 51 K N -0.839 119.516 120.400 -0.075 0.000 2.057 51 K HA -0.167 4.167 4.320 0.023 0.000 0.207 51 K C 2.261 178.794 176.600 -0.111 0.000 1.049 51 K CA 1.688 57.815 56.287 -0.267 0.000 0.931 51 K CB -0.477 31.625 32.500 -0.663 0.000 0.714 51 K HN 0.416 nan 8.250 nan 0.000 0.440 52 H N 1.058 120.068 119.070 -0.100 0.000 2.389 52 H HA 0.033 4.603 4.556 0.023 0.000 0.299 52 H C 1.969 177.359 175.328 0.104 0.000 1.081 52 H CA 1.136 57.195 56.048 0.018 0.000 1.345 52 H CB -0.037 29.706 29.762 -0.031 0.000 1.393 52 H HN 0.024 nan 8.280 nan 0.000 0.520 53 L N 0.332 121.663 121.223 0.179 0.000 2.027 53 L HA -0.143 4.211 4.340 0.023 0.000 0.206 53 L C 2.538 179.497 176.870 0.148 0.000 1.074 53 L CA 1.751 56.732 54.840 0.235 0.000 0.745 53 L CB -0.482 41.741 42.059 0.274 0.000 0.898 53 L HN 0.345 nan 8.230 nan 0.000 0.433 54 R N -0.385 120.197 120.500 0.137 0.000 2.148 54 R HA -0.239 4.114 4.340 0.023 0.000 0.227 54 R C 2.228 178.645 176.300 0.195 0.000 1.103 54 R CA 1.411 57.602 56.100 0.152 0.000 0.983 54 R CB -0.450 29.937 30.300 0.144 0.000 0.874 54 R HN 0.625 nan 8.270 nan 0.000 0.451 55 W N 1.350 122.627 121.300 -0.039 0.000 2.418 55 W HA -0.147 4.527 4.660 0.023 0.000 0.292 55 W C 1.420 177.869 176.519 -0.116 0.000 1.213 55 W CA 0.794 58.073 57.345 -0.110 0.000 1.283 55 W CB -0.394 28.891 29.460 -0.292 0.000 1.119 55 W HN 0.104 nan 8.180 nan 0.000 0.542 56 L N 1.016 122.302 121.223 0.105 0.000 2.046 56 L HA -0.248 4.105 4.340 0.023 0.000 0.208 56 L C 2.709 179.581 176.870 0.002 0.000 1.077 56 L CA 1.538 56.414 54.840 0.060 0.000 0.747 56 L CB -0.731 41.374 42.059 0.076 0.000 0.896 56 L HN -0.184 nan 8.230 nan 0.000 0.432 57 K N -0.463 119.946 120.400 0.015 0.000 2.148 57 K HA -0.122 4.212 4.320 0.023 0.000 0.204 57 K C 2.069 178.620 176.600 -0.083 0.000 1.050 57 K CA 1.337 57.618 56.287 -0.009 0.000 0.942 57 K CB -0.069 32.447 32.500 0.027 0.000 0.724 57 K HN 0.318 nan 8.250 nan 0.000 0.446 58 A N 0.699 123.430 122.820 -0.148 0.000 1.887 58 A HA 0.097 4.431 4.320 0.023 0.000 0.212 58 A C 1.030 178.367 177.584 -0.411 0.000 1.198 58 A CA 0.482 52.350 52.037 -0.281 0.000 0.628 58 A CB 0.186 18.988 19.000 -0.328 0.000 0.847 58 A HN 0.132 nan 8.150 nan 0.000 0.449 59 L N 0.344 121.236 121.223 -0.552 0.000 2.435 59 L HA 0.320 4.674 4.340 0.023 0.000 0.253 59 L C -2.189 174.517 176.870 -0.273 0.000 1.087 59 L CA -1.410 53.125 54.840 -0.508 0.000 0.950 59 L CB 1.789 43.343 42.059 -0.840 0.000 1.304 59 L HN 0.121 nan 8.230 nan 0.000 0.453 60 P HA 0.010 nan 4.420 nan 0.000 0.231 60 P C 1.219 178.524 177.300 0.009 0.000 1.168 60 P CA 0.740 63.814 63.100 -0.043 0.000 0.779 60 P CB 0.207 31.888 31.700 -0.032 0.000 0.844 61 R N -0.564 119.933 120.500 -0.004 0.000 2.148 61 R HA 0.083 4.437 4.340 0.023 0.000 0.223 61 R C 0.221 176.573 176.300 0.086 0.000 1.088 61 R CA 0.591 56.715 56.100 0.040 0.000 0.985 61 R CB -0.406 29.911 30.300 0.028 0.000 0.880 61 R HN 0.084 nan 8.270 nan 0.000 0.451 62 V N 2.366 122.338 119.914 0.096 0.000 2.350 62 V HA 0.117 4.250 4.120 0.023 0.000 0.276 62 V C 0.109 176.424 176.094 0.369 0.000 1.028 62 V CA -0.419 62.002 62.300 0.203 0.000 0.860 62 V CB 1.467 33.389 31.823 0.165 0.000 0.990 62 V HN 0.087 nan 8.190 nan 0.000 0.453 63 T N 8.937 123.676 114.554 0.308 0.000 2.834 63 T HA 0.260 4.624 4.350 0.023 0.000 0.298 63 T C -2.399 172.450 174.700 0.248 0.000 0.966 63 T CA -0.575 61.688 62.100 0.271 0.000 1.141 63 T CB 0.905 69.948 68.868 0.293 0.000 0.905 63 T HN 0.483 nan 8.240 nan 0.000 0.535 64 P HA 0.436 nan 4.420 nan 0.000 0.297 64 P C -1.047 176.074 177.300 -0.299 0.000 1.319 64 P CA -0.688 62.211 63.100 -0.336 0.000 0.810 64 P CB 0.402 31.528 31.700 -0.957 0.000 0.947 65 F N 3.090 122.897 119.950 -0.238 0.000 2.359 65 F HA 0.236 4.777 4.527 0.023 0.000 0.369 65 F C 0.478 176.154 175.800 -0.206 0.000 1.084 65 F CA -0.869 57.001 58.000 -0.217 0.000 1.096 65 F CB 0.382 39.330 39.000 -0.087 0.000 1.335 65 F HN 0.277 nan 8.300 nan 0.000 0.457 66 Y N 3.223 123.248 120.300 -0.460 0.000 2.721 66 Y HA 0.281 4.845 4.550 0.022 0.000 0.329 66 Y C 0.288 176.123 175.900 -0.109 0.000 1.211 66 Y CA -1.151 56.707 58.100 -0.403 0.000 1.512 66 Y CB 0.410 38.448 38.460 -0.703 0.000 1.249 66 Y HN 0.611 nan 8.280 nan 0.000 0.549 67 A N 7.284 129.848 122.820 -0.427 0.000 2.666 67 A HA 0.334 4.668 4.320 0.023 0.000 0.301 67 A C 1.066 178.093 177.584 -0.929 0.000 1.470 67 A CA -0.014 51.759 52.037 -0.439 0.000 1.159 67 A CB -0.935 18.000 19.000 -0.109 0.000 1.116 67 A HN 0.887 nan 8.150 nan 0.000 0.548 68 V N 4.048 123.535 119.914 -0.713 0.000 2.278 68 V HA -0.421 3.713 4.120 0.023 0.000 0.251 68 V C 2.730 178.583 176.094 -0.403 0.000 1.062 68 V CA 2.640 64.602 62.300 -0.564 0.000 1.038 68 V CB -1.007 30.697 31.823 -0.199 0.000 0.646 68 V HN 1.088 nan 8.190 nan 0.000 0.447 69 K N 0.387 120.626 120.400 -0.268 0.000 2.127 69 K HA -0.361 3.972 4.320 0.023 0.000 0.212 69 K C 2.226 178.670 176.600 -0.261 0.000 1.050 69 K CA 2.389 58.572 56.287 -0.175 0.000 0.929 69 K CB -1.407 31.056 32.500 -0.060 0.000 0.715 69 K HN 0.535 nan 8.250 nan 0.000 0.457 70 C N 1.093 120.129 119.300 -0.440 0.000 2.429 70 C HA -0.017 4.456 4.460 0.023 0.000 0.277 70 C C 0.763 175.442 174.990 -0.520 0.000 1.262 70 C CA 0.995 59.511 59.018 -0.837 0.000 1.733 70 C CB -1.087 26.194 27.740 -0.765 0.000 2.010 70 C HN 0.708 nan 8.230 nan 0.000 0.483 71 N N 0.242 118.793 118.700 -0.249 0.000 2.701 71 N HA 0.151 4.905 4.740 0.023 0.000 0.258 71 N C -0.722 174.760 175.510 -0.046 0.000 1.262 71 N CA -0.040 52.907 53.050 -0.172 0.000 0.780 71 N CB 0.683 39.039 38.487 -0.219 0.000 1.380 71 N HN 0.512 nan 8.380 nan 0.000 0.548 72 D N -0.032 120.313 120.400 -0.091 0.000 2.358 72 D HA 0.025 4.679 4.640 0.023 0.000 0.241 72 D C 0.069 176.348 176.300 -0.034 0.000 1.094 72 D CA 0.137 54.101 54.000 -0.061 0.000 0.907 72 D CB -0.129 40.620 40.800 -0.085 0.000 0.893 72 D HN 0.089 nan 8.370 nan 0.000 0.528 73 S N 0.355 116.048 115.700 -0.012 0.000 2.560 73 S HA -0.012 4.471 4.470 0.023 0.000 0.284 73 S C 1.194 175.737 174.600 -0.095 0.000 1.327 73 S CA -0.502 57.699 58.200 0.001 0.000 1.055 73 S CB 1.673 64.964 63.200 0.151 0.000 0.868 73 S HN 0.168 nan 8.310 nan 0.000 0.506 74 K N 1.887 122.190 120.400 -0.160 0.000 2.097 74 K HA -0.102 4.231 4.320 0.023 0.000 0.205 74 K C 2.102 178.373 176.600 -0.548 0.000 1.050 74 K CA 1.129 57.267 56.287 -0.248 0.000 0.938 74 K CB -0.309 32.118 32.500 -0.123 0.000 0.718 74 K HN 0.703 nan 8.250 nan 0.000 0.442 75 A N 1.353 123.575 122.820 -0.997 0.000 1.930 75 A HA -0.121 4.213 4.320 0.023 0.000 0.217 75 A C 1.915 179.107 177.584 -0.653 0.000 1.175 75 A CA 0.976 52.152 52.037 -1.435 0.000 0.627 75 A CB -0.304 17.329 19.000 -2.279 0.000 0.815 75 A HN 0.168 nan 8.150 nan 0.000 0.443 76 I N -0.184 120.174 120.570 -0.352 0.000 2.202 76 I HA -0.151 4.032 4.170 0.023 0.000 0.242 76 I C 2.527 178.559 176.117 -0.143 0.000 1.091 76 I CA 1.057 62.264 61.300 -0.154 0.000 1.368 76 I CB -1.560 36.429 38.000 -0.017 0.000 1.058 76 I HN 0.125 nan 8.210 nan 0.000 0.410 77 V N 1.180 121.053 119.914 -0.069 0.000 2.261 77 V HA -0.301 3.832 4.120 0.023 0.000 0.246 77 V C 2.674 178.748 176.094 -0.033 0.000 1.047 77 V CA 2.113 64.436 62.300 0.038 0.000 1.015 77 V CB -0.745 31.041 31.823 -0.062 0.000 0.642 77 V HN 0.376 nan 8.190 nan 0.000 0.446 78 K N -0.439 119.880 120.400 -0.136 0.000 2.063 78 K HA -0.203 4.130 4.320 0.023 0.000 0.208 78 K C 2.212 178.775 176.600 -0.062 0.000 1.048 78 K CA 2.083 58.318 56.287 -0.087 0.000 0.928 78 K CB -0.390 32.080 32.500 -0.050 0.000 0.713 78 K HN 0.496 nan 8.250 nan 0.000 0.442 79 T N 1.452 115.939 114.554 -0.112 0.000 2.684 79 T HA -0.135 4.229 4.350 0.023 0.000 0.267 79 T C 1.704 176.318 174.700 -0.143 0.000 1.036 79 T CA 1.410 63.452 62.100 -0.098 0.000 1.148 79 T CB -0.132 68.673 68.868 -0.106 0.000 0.863 79 T HN 0.157 nan 8.240 nan 0.000 0.436 80 L N 0.452 121.573 121.223 -0.170 0.000 2.093 80 L HA -0.062 4.292 4.340 0.023 0.000 0.208 80 L C 3.009 179.782 176.870 -0.161 0.000 1.085 80 L CA 1.057 55.721 54.840 -0.293 0.000 0.755 80 L CB -0.661 41.129 42.059 -0.449 0.000 0.904 80 L HN 0.251 nan 8.230 nan 0.000 0.435 81 A N 0.277 123.175 122.820 0.130 0.000 1.851 81 A HA -0.251 4.082 4.320 0.023 0.000 0.216 81 A C 2.544 180.118 177.584 -0.017 0.000 1.195 81 A CA 1.926 54.068 52.037 0.175 0.000 0.622 81 A CB -0.956 18.084 19.000 0.066 0.000 0.831 81 A HN 0.400 nan 8.150 nan 0.000 0.444 82 A N -1.256 121.536 122.820 -0.047 0.000 1.997 82 A HA -0.191 4.143 4.320 0.023 0.000 0.221 82 A C 2.222 179.743 177.584 -0.105 0.000 1.172 82 A CA 2.549 54.550 52.037 -0.061 0.000 0.645 82 A CB -1.322 17.647 19.000 -0.051 0.000 0.813 82 A HN 0.477 nan 8.150 nan 0.000 0.454 83 T N -1.591 112.820 114.554 -0.239 0.000 3.023 83 T HA 0.319 4.682 4.350 0.023 0.000 0.266 83 T C 1.402 175.855 174.700 -0.410 0.000 1.093 83 T CA 1.450 63.277 62.100 -0.455 0.000 1.129 83 T CB -0.084 68.225 68.868 -0.932 0.000 0.899 83 T HN 1.574 nan 8.240 nan 0.000 0.491 84 G N 2.325 110.951 108.800 -0.291 0.000 2.134 84 G HA2 -0.225 3.749 3.960 0.023 0.000 0.209 84 G HA3 -0.225 3.749 3.960 0.023 0.000 0.209 84 G C 0.311 175.040 174.900 -0.286 0.000 0.993 84 G CA 0.101 45.083 45.100 -0.196 0.000 0.669 84 G HN 0.783 nan 8.290 nan 0.000 0.519 85 T N -0.896 113.379 114.554 -0.464 0.000 2.813 85 T HA 0.608 4.972 4.350 0.023 0.000 0.297 85 T C 1.207 175.457 174.700 -0.751 0.000 1.036 85 T CA 0.508 62.241 62.100 -0.611 0.000 1.044 85 T CB 1.899 70.254 68.868 -0.856 0.000 0.993 85 T HN 1.439 nan 8.240 nan 0.000 0.535 86 G N -0.075 108.076 108.800 -1.082 0.000 2.557 86 G HA2 0.596 4.570 3.960 0.023 0.000 0.292 86 G HA3 0.596 4.570 3.960 0.023 0.000 0.292 86 G C -1.252 173.072 174.900 -0.961 0.000 1.237 86 G CA -1.047 43.269 45.100 -1.308 0.000 0.978 86 G HN 0.644 nan 8.290 nan 0.000 0.498 87 F N -1.048 118.875 119.950 -0.045 0.000 2.565 87 F HA 0.324 4.864 4.527 0.022 0.000 0.313 87 F C -0.531 175.394 175.800 0.208 0.000 1.091 87 F CA -0.908 57.137 58.000 0.075 0.000 0.915 87 F CB 2.686 41.681 39.000 -0.009 0.000 1.208 87 F HN 0.297 nan 8.300 nan 0.000 0.453 88 D N 2.719 123.254 120.400 0.226 0.000 2.454 88 D HA 0.348 5.002 4.640 0.023 0.000 0.225 88 D C -1.096 175.232 176.300 0.047 0.000 1.081 88 D CA -0.067 54.009 54.000 0.126 0.000 0.864 88 D CB 0.601 41.438 40.800 0.063 0.000 1.040 88 D HN 0.435 nan 8.370 nan 0.000 0.517 89 C N 2.741 122.071 119.300 0.050 0.000 2.358 89 C HA 0.830 5.303 4.460 0.023 0.000 0.342 89 C C 1.345 176.332 174.990 -0.004 0.000 1.234 89 C CA -0.587 58.407 59.018 -0.040 0.000 1.969 89 C CB 0.827 28.493 27.740 -0.124 0.000 2.346 89 C HN 0.744 nan 8.230 nan 0.000 0.525 90 A N 1.341 124.150 122.820 -0.017 0.000 2.508 90 A HA 0.511 4.844 4.320 0.023 0.000 0.250 90 A C 0.601 178.261 177.584 0.127 0.000 1.208 90 A CA 0.363 52.474 52.037 0.123 0.000 0.960 90 A CB -0.013 19.029 19.000 0.070 0.000 1.099 90 A HN 1.030 nan 8.150 nan 0.000 0.542 91 S N -1.390 114.252 115.700 -0.097 0.000 2.588 91 S HA 0.423 4.907 4.470 0.023 0.000 0.275 91 S C 0.629 175.051 174.600 -0.297 0.000 1.130 91 S CA 0.045 58.174 58.200 -0.117 0.000 0.855 91 S CB 1.546 64.707 63.200 -0.065 0.000 1.116 91 S HN 0.200 nan 8.310 nan 0.000 0.472 92 K N 0.507 120.750 120.400 -0.262 0.000 2.077 92 K HA -0.228 4.106 4.320 0.023 0.000 0.213 92 K C 1.983 178.347 176.600 -0.392 0.000 1.051 92 K CA 2.615 58.665 56.287 -0.395 0.000 0.929 92 K CB -1.082 31.161 32.500 -0.428 0.000 0.715 92 K HN 0.865 nan 8.250 nan 0.000 0.451 93 T N -2.093 112.299 114.554 -0.271 0.000 2.904 93 T HA -0.061 4.303 4.350 0.023 0.000 0.267 93 T C 1.650 176.241 174.700 -0.183 0.000 1.059 93 T CA 1.256 63.224 62.100 -0.220 0.000 1.137 93 T CB -0.055 68.720 68.868 -0.156 0.000 0.879 93 T HN 0.376 nan 8.240 nan 0.000 0.467 94 E N 0.620 120.713 120.200 -0.177 0.000 2.077 94 E HA 0.003 4.367 4.350 0.023 0.000 0.193 94 E C 2.117 178.617 176.600 -0.165 0.000 0.989 94 E CA 1.261 57.566 56.400 -0.159 0.000 0.800 94 E CB -0.304 29.310 29.700 -0.144 0.000 0.746 94 E HN 0.556 nan 8.360 nan 0.000 0.452 95 I N 1.248 121.705 120.570 -0.188 0.000 2.163 95 I HA -0.360 3.824 4.170 0.023 0.000 0.243 95 I C 2.505 178.579 176.117 -0.071 0.000 1.085 95 I CA 1.357 62.583 61.300 -0.122 0.000 1.347 95 I CB -0.245 37.706 38.000 -0.082 0.000 1.044 95 I HN 0.168 nan 8.210 nan 0.000 0.408 96 Q N -0.051 119.687 119.800 -0.104 0.000 2.084 96 Q HA -0.245 4.109 4.340 0.023 0.000 0.202 96 Q C 2.306 178.256 176.000 -0.083 0.000 0.978 96 Q CA 1.476 57.241 55.803 -0.063 0.000 0.844 96 Q CB -0.347 28.312 28.738 -0.131 0.000 0.898 96 Q HN 0.399 nan 8.270 nan 0.000 0.426 97 L N 0.577 121.730 121.223 -0.118 0.000 1.970 97 L HA -0.190 4.164 4.340 0.023 0.000 0.212 97 L C 2.245 179.016 176.870 -0.165 0.000 1.071 97 L CA 1.608 56.373 54.840 -0.125 0.000 0.751 97 L CB -0.848 41.133 42.059 -0.130 0.000 0.889 97 L HN -0.020 nan 8.230 nan 0.000 0.432 98 V N -0.250 119.529 119.914 -0.226 0.000 2.250 98 V HA -0.430 3.704 4.120 0.023 0.000 0.250 98 V C 2.647 178.594 176.094 -0.246 0.000 1.060 98 V CA 2.453 64.541 62.300 -0.353 0.000 1.030 98 V CB -0.785 30.798 31.823 -0.401 0.000 0.643 98 V HN 0.615 nan 8.190 nan 0.000 0.445 99 Q N -0.103 119.613 119.800 -0.141 0.000 2.167 99 Q HA -0.146 4.208 4.340 0.023 0.000 0.202 99 Q C 2.309 178.266 176.000 -0.071 0.000 0.970 99 Q CA 1.648 57.400 55.803 -0.084 0.000 0.855 99 Q CB -0.242 28.480 28.738 -0.028 0.000 0.911 99 Q HN 0.819 nan 8.270 nan 0.000 0.438 100 S N -0.204 115.454 115.700 -0.071 0.000 2.595 100 S HA -0.004 4.480 4.470 0.023 0.000 0.235 100 S C 1.307 175.872 174.600 -0.059 0.000 0.974 100 S CA 0.474 58.642 58.200 -0.052 0.000 0.942 100 S CB 0.003 63.175 63.200 -0.046 0.000 0.766 100 S HN 0.303 nan 8.310 nan 0.000 0.536 101 L N 0.466 121.633 121.223 -0.093 0.000 2.910 101 L HA 0.405 4.759 4.340 0.023 0.000 0.252 101 L C 1.613 178.435 176.870 -0.081 0.000 1.195 101 L CA 0.253 55.041 54.840 -0.086 0.000 1.003 101 L CB -0.490 41.491 42.059 -0.130 0.000 1.328 101 L HN 0.543 nan 8.230 nan 0.000 0.540 102 G N 0.529 109.288 108.800 -0.070 0.000 2.179 102 G HA2 -0.273 3.700 3.960 0.023 0.000 0.260 102 G HA3 -0.273 3.700 3.960 0.023 0.000 0.260 102 G C 0.386 175.256 174.900 -0.050 0.000 0.977 102 G CA 0.154 45.226 45.100 -0.047 0.000 0.641 102 G HN 0.143 nan 8.290 nan 0.000 0.533 103 V N 3.676 123.537 119.914 -0.088 0.000 2.434 103 V HA 0.254 4.388 4.120 0.023 0.000 0.281 103 V C -0.676 175.397 176.094 -0.035 0.000 1.005 103 V CA -0.480 61.775 62.300 -0.075 0.000 1.089 103 V CB 0.406 32.114 31.823 -0.191 0.000 0.978 103 V HN 0.350 nan 8.190 nan 0.000 0.474 104 P HA 0.144 nan 4.420 nan 0.000 0.269 104 P C -1.950 175.375 177.300 0.041 0.000 1.215 104 P CA -1.555 61.555 63.100 0.017 0.000 0.780 104 P CB 0.374 32.091 31.700 0.027 0.000 0.898 105 P HA -0.193 nan 4.420 nan 0.000 0.218 105 P C 1.294 178.663 177.300 0.115 0.000 1.148 105 P CA 1.557 64.698 63.100 0.067 0.000 0.822 105 P CB -0.098 31.630 31.700 0.047 0.000 0.784 106 E N 0.979 121.245 120.200 0.110 0.000 2.273 106 E HA -0.198 4.166 4.350 0.023 0.000 0.198 106 E C 1.377 178.106 176.600 0.213 0.000 1.002 106 E CA 1.024 57.511 56.400 0.144 0.000 0.828 106 E CB -0.839 28.930 29.700 0.115 0.000 0.747 106 E HN 0.371 nan 8.360 nan 0.000 0.491 107 R N 0.407 121.025 120.500 0.196 0.000 2.426 107 R HA 0.388 4.741 4.340 0.023 0.000 0.263 107 R C 0.107 176.632 176.300 0.375 0.000 0.961 107 R CA -0.065 56.172 56.100 0.228 0.000 1.086 107 R CB 0.298 30.668 30.300 0.117 0.000 1.186 107 R HN 0.130 nan 8.270 nan 0.000 0.537 108 I N 0.883 121.676 120.570 0.372 0.000 2.498 108 I HA 0.347 4.531 4.170 0.023 0.000 0.290 108 I C -0.735 175.551 176.117 0.281 0.000 1.032 108 I CA -0.931 60.569 61.300 0.334 0.000 1.073 108 I CB 2.485 40.589 38.000 0.172 0.000 1.251 108 I HN -0.008 nan 8.210 nan 0.000 0.426 109 I N 6.203 126.912 120.570 0.233 0.000 2.382 109 I HA 0.296 4.480 4.170 0.023 0.000 0.286 109 I C -1.085 175.121 176.117 0.148 0.000 1.002 109 I CA -0.659 60.691 61.300 0.084 0.000 1.135 109 I CB 1.056 38.967 38.000 -0.150 0.000 1.288 109 I HN 0.523 nan 8.210 nan 0.000 0.448 110 Y N 7.747 128.060 120.300 0.021 0.000 2.576 110 Y HA 0.293 4.857 4.550 0.023 0.000 0.348 110 Y C 0.941 176.822 175.900 -0.031 0.000 1.212 110 Y CA -0.559 57.549 58.100 0.014 0.000 1.683 110 Y CB 0.510 38.995 38.460 0.042 0.000 1.484 110 Y HN 0.702 nan 8.280 nan 0.000 0.477 111 A N 4.056 126.996 122.820 0.200 0.000 2.218 111 A HA -0.052 4.281 4.320 0.023 0.000 0.209 111 A C 1.063 178.594 177.584 -0.088 0.000 1.168 111 A CA 0.008 52.053 52.037 0.013 0.000 0.804 111 A CB -0.437 18.556 19.000 -0.012 0.000 0.834 111 A HN 0.625 nan 8.150 nan 0.000 0.482 112 N N 1.114 119.799 118.700 -0.026 0.000 2.427 112 N HA 0.124 4.877 4.740 0.023 0.000 0.269 112 N C -2.109 173.199 175.510 -0.337 0.000 1.235 112 N CA -1.834 51.110 53.050 -0.176 0.000 0.934 112 N CB 0.986 39.483 38.487 0.016 0.000 1.121 112 N HN 0.003 nan 8.380 nan 0.000 0.480 113 P HA 0.081 nan 4.420 nan 0.000 0.233 113 P C -0.403 176.743 177.300 -0.257 0.000 1.167 113 P CA 0.566 63.407 63.100 -0.430 0.000 0.770 113 P CB 0.309 31.622 31.700 -0.645 0.000 0.837 114 C N 0.884 120.051 119.300 -0.222 0.000 2.647 114 C HA 0.360 4.833 4.460 0.023 0.000 0.273 114 C C 0.314 175.273 174.990 -0.051 0.000 1.088 114 C CA -0.879 58.109 59.018 -0.049 0.000 1.529 114 C CB -0.653 27.152 27.740 0.108 0.000 1.810 114 C HN 0.086 nan 8.230 nan 0.000 0.422 115 K N 1.290 121.626 120.400 -0.107 0.000 2.130 115 K HA 0.365 4.699 4.320 0.023 0.000 0.268 115 K C 0.065 176.656 176.600 -0.015 0.000 0.983 115 K CA -0.227 56.002 56.287 -0.096 0.000 0.893 115 K CB 1.081 33.398 32.500 -0.305 0.000 1.066 115 K HN 0.610 nan 8.250 nan 0.000 0.450 116 Q N 2.064 121.887 119.800 0.039 0.000 2.313 116 Q HA 0.015 4.368 4.340 0.023 0.000 0.266 116 Q C 0.769 176.799 176.000 0.050 0.000 0.989 116 Q CA -0.227 55.602 55.803 0.043 0.000 0.890 116 Q CB 0.988 29.756 28.738 0.050 0.000 1.200 116 Q HN 0.530 nan 8.270 nan 0.000 0.396 117 V N 2.946 122.881 119.914 0.035 0.000 2.370 117 V HA -0.346 3.788 4.120 0.023 0.000 0.252 117 V C 2.205 178.331 176.094 0.054 0.000 1.068 117 V CA 2.358 64.680 62.300 0.036 0.000 1.061 117 V CB -0.855 30.983 31.823 0.025 0.000 0.656 117 V HN 0.950 nan 8.190 nan 0.000 0.455 118 S N -0.647 115.088 115.700 0.057 0.000 2.428 118 S HA -0.209 4.275 4.470 0.023 0.000 0.230 118 S C 1.833 176.501 174.600 0.112 0.000 1.014 118 S CA 1.260 59.501 58.200 0.068 0.000 0.957 118 S CB -0.297 62.933 63.200 0.051 0.000 0.784 118 S HN 0.726 nan 8.310 nan 0.000 0.499 119 Q N 0.527 120.407 119.800 0.134 0.000 2.212 119 Q HA 0.191 4.544 4.340 0.023 0.000 0.199 119 Q C 2.207 178.404 176.000 0.329 0.000 0.950 119 Q CA 1.012 56.944 55.803 0.215 0.000 0.863 119 Q CB -0.303 28.563 28.738 0.214 0.000 0.944 119 Q HN 0.597 nan 8.270 nan 0.000 0.465 120 I N 1.211 121.923 120.570 0.236 0.000 2.118 120 I HA -0.333 3.850 4.170 0.023 0.000 0.241 120 I C 2.105 178.280 176.117 0.097 0.000 1.070 120 I CA 1.489 62.899 61.300 0.184 0.000 1.327 120 I CB -0.402 37.642 38.000 0.074 0.000 1.034 120 I HN 0.157 nan 8.210 nan 0.000 0.405 121 K N 0.023 120.464 120.400 0.068 0.000 2.103 121 K HA -0.247 4.087 4.320 0.023 0.000 0.207 121 K C 2.210 178.809 176.600 -0.002 0.000 1.048 121 K CA 1.763 58.053 56.287 0.005 0.000 0.930 121 K CB -0.425 32.090 32.500 0.024 0.000 0.716 121 K HN 0.274 nan 8.250 nan 0.000 0.444 122 Y N 1.403 121.692 120.300 -0.019 0.000 2.114 122 Y HA -0.283 4.281 4.550 0.023 0.000 0.284 122 Y C 2.254 178.119 175.900 -0.058 0.000 1.143 122 Y CA 1.585 59.664 58.100 -0.035 0.000 1.135 122 Y CB -0.462 37.982 38.460 -0.027 0.000 0.980 122 Y HN 0.050 nan 8.280 nan 0.000 0.499 123 A N 0.673 123.541 122.820 0.079 0.000 1.908 123 A HA -0.202 4.132 4.320 0.023 0.000 0.218 123 A C 2.426 179.877 177.584 -0.223 0.000 1.181 123 A CA 2.252 54.296 52.037 0.012 0.000 0.627 123 A CB -1.620 17.567 19.000 0.312 0.000 0.818 123 A HN 0.661 nan 8.150 nan 0.000 0.445 124 A N 0.375 122.929 122.820 -0.444 0.000 1.933 124 A HA -0.195 4.139 4.320 0.023 0.000 0.218 124 A C 1.628 178.992 177.584 -0.367 0.000 1.175 124 A CA 1.595 53.166 52.037 -0.776 0.000 0.628 124 A CB -0.835 17.651 19.000 -0.857 0.000 0.814 124 A HN 0.746 nan 8.150 nan 0.000 0.444 125 N N -0.056 118.457 118.700 -0.311 0.000 2.434 125 N HA 0.050 4.804 4.740 0.023 0.000 0.196 125 N C 0.331 175.660 175.510 -0.303 0.000 1.183 125 N CA 0.131 53.026 53.050 -0.258 0.000 0.849 125 N CB 0.102 38.456 38.487 -0.221 0.000 0.992 125 N HN 0.461 nan 8.380 nan 0.000 0.460 126 N N -0.279 118.223 118.700 -0.330 0.000 2.143 126 N HA 0.084 4.837 4.740 0.023 0.000 0.229 126 N C 0.525 175.953 175.510 -0.137 0.000 1.294 126 N CA 0.262 53.137 53.050 -0.292 0.000 0.883 126 N CB 1.441 39.627 38.487 -0.500 0.000 1.148 126 N HN 0.246 nan 8.380 nan 0.000 0.511 127 G N 1.021 109.769 108.800 -0.085 0.000 2.132 127 G HA2 -0.243 3.731 3.960 0.023 0.000 0.234 127 G HA3 -0.243 3.731 3.960 0.023 0.000 0.234 127 G C -0.049 174.887 174.900 0.060 0.000 0.989 127 G CA -0.073 45.027 45.100 -0.000 0.000 0.676 127 G HN 0.147 nan 8.290 nan 0.000 0.522 128 V N 1.873 121.835 119.914 0.079 0.000 2.339 128 V HA 0.283 4.417 4.120 0.023 0.000 0.261 128 V C 1.165 177.429 176.094 0.284 0.000 1.058 128 V CA -0.059 62.334 62.300 0.155 0.000 0.897 128 V CB 1.358 33.264 31.823 0.137 0.000 1.052 128 V HN 0.372 nan 8.190 nan 0.000 0.480 129 Q N 2.937 122.856 119.800 0.198 0.000 2.339 129 Q HA 0.222 4.575 4.340 0.023 0.000 0.205 129 Q C 0.747 176.765 176.000 0.030 0.000 0.925 129 Q CA 0.396 56.274 55.803 0.125 0.000 0.898 129 Q CB 0.496 29.282 28.738 0.079 0.000 1.013 129 Q HN 0.694 nan 8.270 nan 0.000 0.504 130 M N 1.353 120.998 119.600 0.074 0.000 2.084 130 M HA 0.333 4.827 4.480 0.023 0.000 0.351 130 M C -0.888 175.441 176.300 0.048 0.000 1.240 130 M CA 0.190 55.504 55.300 0.024 0.000 1.083 130 M CB 0.430 33.036 32.600 0.010 0.000 1.593 130 M HN -0.033 nan 8.290 nan 0.000 0.463 131 M N 1.590 121.186 119.600 -0.007 0.000 2.745 131 M HA 0.595 5.088 4.480 0.023 0.000 0.290 131 M C -0.594 175.685 176.300 -0.036 0.000 1.262 131 M CA -0.910 54.378 55.300 -0.021 0.000 0.795 131 M CB 2.715 35.264 32.600 -0.086 0.000 1.758 131 M HN 0.420 nan 8.290 nan 0.000 0.461 132 T N 0.955 115.472 114.554 -0.063 0.000 2.908 132 T HA 0.849 5.213 4.350 0.023 0.000 0.290 132 T C -1.491 173.235 174.700 0.043 0.000 1.034 132 T CA -0.402 61.671 62.100 -0.045 0.000 1.010 132 T CB 1.562 70.349 68.868 -0.135 0.000 1.068 132 T HN 0.527 nan 8.240 nan 0.000 0.481 133 F N 0.490 120.332 119.950 -0.181 0.000 2.741 133 F HA 0.716 5.257 4.527 0.022 0.000 0.313 133 F C -0.991 174.739 175.800 -0.117 0.000 1.153 133 F CA -1.172 56.733 58.000 -0.158 0.000 0.931 133 F CB 1.299 40.215 39.000 -0.139 0.000 1.335 133 F HN 0.519 nan 8.300 nan 0.000 0.460 134 D N -0.475 119.825 120.400 -0.166 0.000 2.742 134 D HA 0.187 4.841 4.640 0.023 0.000 0.302 134 D C -1.137 175.171 176.300 0.013 0.000 1.588 134 D CA 0.490 54.347 54.000 -0.237 0.000 0.873 134 D CB -0.353 40.344 40.800 -0.172 0.000 1.418 134 D HN 0.755 nan 8.370 nan 0.000 0.420 135 S N -0.464 115.334 115.700 0.162 0.000 2.549 135 S HA 0.432 4.916 4.470 0.023 0.000 0.280 135 S C 1.002 175.698 174.600 0.159 0.000 1.109 135 S CA -0.398 57.883 58.200 0.134 0.000 0.905 135 S CB 2.347 65.604 63.200 0.094 0.000 1.081 135 S HN 0.098 nan 8.310 nan 0.000 0.477 136 E N 1.581 121.844 120.200 0.106 0.000 2.085 136 E HA -0.149 4.215 4.350 0.023 0.000 0.194 136 E C 1.335 177.959 176.600 0.039 0.000 0.994 136 E CA 1.429 57.873 56.400 0.074 0.000 0.801 136 E CB -0.646 29.086 29.700 0.053 0.000 0.743 136 E HN 0.393 nan 8.360 nan 0.000 0.453 137 V N 1.250 121.188 119.914 0.040 0.000 2.332 137 V HA -0.290 3.844 4.120 0.023 0.000 0.248 137 V C 2.475 178.576 176.094 0.013 0.000 1.055 137 V CA 2.214 64.528 62.300 0.023 0.000 1.038 137 V CB -0.751 31.088 31.823 0.027 0.000 0.651 137 V HN 0.294 nan 8.190 nan 0.000 0.450 138 E N 0.357 120.578 120.200 0.035 0.000 2.049 138 E HA -0.242 4.122 4.350 0.023 0.000 0.198 138 E C 2.034 178.602 176.600 -0.055 0.000 1.007 138 E CA 1.706 58.117 56.400 0.018 0.000 0.809 138 E CB -0.512 29.246 29.700 0.097 0.000 0.749 138 E HN 0.527 nan 8.360 nan 0.000 0.450 139 L N -0.496 120.669 121.223 -0.096 0.000 2.013 139 L HA -0.264 4.090 4.340 0.023 0.000 0.212 139 L C 2.675 179.472 176.870 -0.122 0.000 1.073 139 L CA 1.829 56.542 54.840 -0.211 0.000 0.753 139 L CB -0.354 41.574 42.059 -0.218 0.000 0.890 139 L HN 0.283 nan 8.230 nan 0.000 0.432 140 M N -0.956 118.606 119.600 -0.063 0.000 2.080 140 M HA -0.291 4.203 4.480 0.023 0.000 0.260 140 M C 2.294 178.572 176.300 -0.036 0.000 1.068 140 M CA 1.836 57.112 55.300 -0.040 0.000 1.109 140 M CB -0.289 32.300 32.600 -0.018 0.000 1.342 140 M HN 0.044 nan 8.290 nan 0.000 0.405 141 K N -0.420 119.960 120.400 -0.033 0.000 2.074 141 K HA -0.176 4.158 4.320 0.023 0.000 0.209 141 K C 1.723 178.307 176.600 -0.027 0.000 1.048 141 K CA 1.571 57.844 56.287 -0.024 0.000 0.926 141 K CB -0.318 32.169 32.500 -0.022 0.000 0.713 141 K HN 0.173 nan 8.250 nan 0.000 0.444 142 V N 0.632 120.509 119.914 -0.062 0.000 2.453 142 V HA -0.200 3.934 4.120 0.023 0.000 0.247 142 V C 2.175 178.242 176.094 -0.045 0.000 1.048 142 V CA 1.723 63.984 62.300 -0.065 0.000 1.049 142 V CB -0.528 31.201 31.823 -0.157 0.000 0.672 142 V HN 0.386 nan 8.190 nan 0.000 0.457 143 A N 0.394 123.177 122.820 -0.062 0.000 1.849 143 A HA -0.321 4.013 4.320 0.023 0.000 0.217 143 A C 2.378 179.956 177.584 -0.010 0.000 1.202 143 A CA 2.479 54.492 52.037 -0.040 0.000 0.629 143 A CB -0.701 18.275 19.000 -0.041 0.000 0.834 143 A HN 0.455 nan 8.150 nan 0.000 0.447 144 R N -0.920 119.576 120.500 -0.007 0.000 2.103 144 R HA -0.154 4.200 4.340 0.023 0.000 0.242 144 R C 2.083 178.394 176.300 0.019 0.000 1.142 144 R CA 1.774 57.877 56.100 0.004 0.000 0.960 144 R CB -0.292 30.010 30.300 0.002 0.000 0.858 144 R HN 0.514 nan 8.270 nan 0.000 0.439 145 A N -1.923 120.916 122.820 0.031 0.000 2.140 145 A HA 0.032 4.365 4.320 0.023 0.000 0.209 145 A C 0.296 177.941 177.584 0.102 0.000 1.181 145 A CA 0.394 52.459 52.037 0.047 0.000 0.824 145 A CB 0.436 19.459 19.000 0.039 0.000 0.879 145 A HN 0.423 nan 8.150 nan 0.000 0.480 146 H N -0.928 118.129 119.070 -0.022 0.000 3.080 146 H HA 0.224 4.793 4.556 0.023 0.000 0.211 146 H C -2.576 172.733 175.328 -0.031 0.000 1.359 146 H CA -1.561 54.475 56.048 -0.019 0.000 1.322 146 H CB 0.653 30.406 29.762 -0.014 0.000 2.164 146 H HN 0.126 nan 8.280 nan 0.000 0.526 147 P HA -0.097 nan 4.420 nan 0.000 0.220 147 P C 1.122 178.392 177.300 -0.051 0.000 1.148 147 P CA 0.702 63.795 63.100 -0.012 0.000 0.803 147 P CB 0.704 32.410 31.700 0.009 0.000 0.782 148 K N -0.093 120.290 120.400 -0.029 0.000 2.459 148 K HA 0.215 4.548 4.320 0.023 0.000 0.193 148 K C 0.989 177.488 176.600 -0.169 0.000 1.030 148 K CA -0.073 56.184 56.287 -0.049 0.000 1.026 148 K CB -0.852 31.665 32.500 0.029 0.000 0.809 148 K HN 0.081 nan 8.250 nan 0.000 0.504 149 A N 1.256 123.821 122.820 -0.425 0.000 2.555 149 A HA 0.066 4.400 4.320 0.023 0.000 0.233 149 A C -0.278 177.154 177.584 -0.253 0.000 1.060 149 A CA 0.247 51.952 52.037 -0.553 0.000 0.759 149 A CB 0.189 18.711 19.000 -0.797 0.000 0.995 149 A HN -0.038 nan 8.150 nan 0.000 0.506 150 K N 2.310 122.605 120.400 -0.175 0.000 2.292 150 K HA 0.404 4.738 4.320 0.023 0.000 0.270 150 K C -0.695 175.827 176.600 -0.131 0.000 1.062 150 K CA 0.068 56.288 56.287 -0.111 0.000 0.916 150 K CB 0.826 33.307 32.500 -0.031 0.000 1.166 150 K HN 0.590 nan 8.250 nan 0.000 0.458 151 L N 2.928 124.057 121.223 -0.157 0.000 2.326 151 L HA 0.363 4.717 4.340 0.023 0.000 0.278 151 L C -0.026 176.828 176.870 -0.026 0.000 1.092 151 L CA -1.096 53.695 54.840 -0.082 0.000 0.810 151 L CB 1.246 43.192 42.059 -0.188 0.000 1.153 151 L HN 0.112 nan 8.230 nan 0.000 0.439 152 V N 4.939 124.862 119.914 0.016 0.000 2.370 152 V HA 0.261 4.395 4.120 0.023 0.000 0.283 152 V C 0.173 176.198 176.094 -0.115 0.000 1.023 152 V CA -0.506 61.754 62.300 -0.067 0.000 0.857 152 V CB 1.829 33.581 31.823 -0.117 0.000 0.985 152 V HN 0.544 nan 8.190 nan 0.000 0.443 153 L N 5.955 127.019 121.223 -0.266 0.000 2.313 153 L HA 0.456 4.810 4.340 0.023 0.000 0.282 153 L C 0.619 177.243 176.870 -0.409 0.000 1.092 153 L CA -0.341 54.087 54.840 -0.687 0.000 0.831 153 L CB 0.456 42.203 42.059 -0.520 0.000 1.159 153 L HN 0.723 nan 8.230 nan 0.000 0.442 154 R N 6.910 127.149 120.500 -0.435 0.000 2.202 154 R HA 0.414 4.768 4.340 0.023 0.000 0.334 154 R C -0.218 175.998 176.300 -0.139 0.000 1.036 154 R CA -0.517 55.455 56.100 -0.213 0.000 0.878 154 R CB 0.526 30.709 30.300 -0.195 0.000 1.067 154 R HN 0.734 nan 8.270 nan 0.000 0.457 155 I N 1.125 121.675 120.570 -0.034 0.000 2.934 155 I HA 0.623 4.807 4.170 0.023 0.000 0.315 155 I C -0.115 176.022 176.117 0.033 0.000 0.997 155 I CA -1.007 60.289 61.300 -0.007 0.000 1.184 155 I CB 1.542 39.551 38.000 0.016 0.000 1.400 155 I HN 0.658 nan 8.210 nan 0.000 0.549 156 A N 2.622 125.448 122.820 0.009 0.000 2.304 156 A HA 0.696 5.030 4.320 0.023 0.000 0.271 156 A C 0.183 177.759 177.584 -0.013 0.000 1.091 156 A CA 0.186 52.230 52.037 0.011 0.000 0.812 156 A CB 0.476 19.474 19.000 -0.003 0.000 1.056 156 A HN 0.977 nan 8.150 nan 0.000 0.489 169 K N 3.464 123.712 120.400 -0.253 0.000 2.057 169 K HA 0.106 4.440 4.320 0.023 0.000 0.206 169 K C -0.124 176.159 176.600 -0.528 0.000 1.050 169 K CA 1.591 57.581 56.287 -0.494 0.000 0.935 169 K CB 0.081 32.106 32.500 -0.791 0.000 0.715 169 K HN 0.499 nan 8.250 nan 0.000 0.439 170 F N -0.767 119.164 119.950 -0.033 0.000 2.593 170 F HA 0.540 5.080 4.527 0.022 0.000 0.320 170 F C 0.028 175.806 175.800 -0.037 0.000 1.060 170 F CA -0.891 57.085 58.000 -0.040 0.000 0.940 170 F CB 2.210 41.179 39.000 -0.050 0.000 1.268 170 F HN 0.122 nan 8.300 nan 0.000 0.475 171 G N 0.984 109.884 108.800 0.167 0.000 3.152 171 G HA2 0.493 4.466 3.960 0.023 0.000 0.666 171 G HA3 0.493 4.466 3.960 0.023 0.000 0.666 171 G C -1.004 173.903 174.900 0.013 0.000 1.205 171 G CA -0.771 44.366 45.100 0.061 0.000 1.178 171 G HN 1.033 nan 8.290 nan 0.000 0.510 172 A N 2.738 125.536 122.820 -0.036 0.000 2.440 172 A HA 0.825 5.158 4.320 0.023 0.000 0.251 172 A C 1.301 178.867 177.584 -0.031 0.000 1.089 172 A CA 0.863 52.873 52.037 -0.045 0.000 0.779 172 A CB 0.187 19.128 19.000 -0.098 0.000 1.022 172 A HN 2.204 nan 8.150 nan 0.000 0.492 173 T N 0.761 115.305 114.554 -0.017 0.000 2.732 173 T HA 0.351 4.715 4.350 0.023 0.000 0.287 173 T C 1.321 176.014 174.700 -0.012 0.000 0.993 173 T CA -0.469 61.622 62.100 -0.014 0.000 0.966 173 T CB 0.246 69.109 68.868 -0.009 0.000 1.047 173 T HN 0.392 nan 8.240 nan 0.000 0.527 174 L N -0.107 121.111 121.223 -0.007 0.000 2.141 174 L HA -0.045 4.309 4.340 0.023 0.000 0.209 174 L C 3.135 180.010 176.870 0.009 0.000 1.094 174 L CA 1.169 56.010 54.840 0.002 0.000 0.763 174 L CB -0.497 41.566 42.059 0.005 0.000 0.908 174 L HN 0.636 nan 8.230 nan 0.000 0.437 175 R N -0.256 120.249 120.500 0.008 0.000 2.080 175 R HA -0.130 4.223 4.340 0.023 0.000 0.236 175 R C 2.271 178.581 176.300 0.016 0.000 1.137 175 R CA 2.071 58.178 56.100 0.013 0.000 0.943 175 R CB -1.196 29.110 30.300 0.010 0.000 0.846 175 R HN 0.281 nan 8.270 nan 0.000 0.431 176 T N 0.255 114.815 114.554 0.010 0.000 2.759 176 T HA -0.130 4.233 4.350 0.023 0.000 0.269 176 T C 2.009 176.719 174.700 0.017 0.000 1.042 176 T CA 1.677 63.786 62.100 0.014 0.000 1.140 176 T CB -0.303 68.569 68.868 0.005 0.000 0.864 176 T HN 0.169 nan 8.240 nan 0.000 0.455 177 S N 1.048 116.749 115.700 0.002 0.000 2.368 177 S HA -0.100 4.384 4.470 0.023 0.000 0.225 177 S C 2.131 176.750 174.600 0.032 0.000 1.030 177 S CA 1.205 59.404 58.200 -0.003 0.000 0.999 177 S CB -0.269 62.921 63.200 -0.017 0.000 0.844 177 S HN 0.364 nan 8.310 nan 0.000 0.459 178 R N 1.767 122.289 120.500 0.037 0.000 2.080 178 R HA -0.000 4.353 4.340 0.023 0.000 0.236 178 R C 2.010 178.346 176.300 0.060 0.000 1.137 178 R CA 1.528 57.658 56.100 0.050 0.000 0.943 178 R CB -0.896 29.428 30.300 0.041 0.000 0.846 178 R HN 0.406 nan 8.270 nan 0.000 0.431 179 L N 0.052 121.306 121.223 0.052 0.000 2.131 179 L HA -0.140 4.213 4.340 0.023 0.000 0.210 179 L C 2.359 179.276 176.870 0.077 0.000 1.092 179 L CA 1.040 55.914 54.840 0.056 0.000 0.759 179 L CB -0.493 41.592 42.059 0.044 0.000 0.903 179 L HN 0.231 nan 8.230 nan 0.000 0.435 180 L N -0.612 120.668 121.223 0.095 0.000 2.131 180 L HA -0.154 4.199 4.340 0.023 0.000 0.206 180 L C 2.488 179.455 176.870 0.163 0.000 1.087 180 L CA 0.868 55.799 54.840 0.152 0.000 0.767 180 L CB -0.242 41.946 42.059 0.215 0.000 0.917 180 L HN 0.225 nan 8.230 nan 0.000 0.441 181 L N -0.516 120.796 121.223 0.149 0.000 2.056 181 L HA -0.208 4.145 4.340 0.023 0.000 0.207 181 L C 2.463 179.478 176.870 0.242 0.000 1.078 181 L CA 1.190 56.148 54.840 0.196 0.000 0.749 181 L CB -0.323 41.849 42.059 0.188 0.000 0.901 181 L HN 0.243 nan 8.230 nan 0.000 0.433 182 E N -0.131 120.158 120.200 0.149 0.000 2.038 182 E HA -0.280 4.084 4.350 0.023 0.000 0.195 182 E C 2.237 178.890 176.600 0.089 0.000 1.000 182 E CA 1.248 57.711 56.400 0.104 0.000 0.803 182 E CB -0.009 29.732 29.700 0.068 0.000 0.750 182 E HN 0.139 nan 8.360 nan 0.000 0.448 183 R N 0.214 120.761 120.500 0.078 0.000 2.152 183 R HA -0.074 4.279 4.340 0.023 0.000 0.232 183 R C 1.709 178.036 176.300 0.044 0.000 1.117 183 R CA 1.337 57.468 56.100 0.052 0.000 0.981 183 R CB -0.221 30.108 30.300 0.047 0.000 0.870 183 R HN 0.173 nan 8.270 nan 0.000 0.451 184 A N -0.574 122.291 122.820 0.076 0.000 2.123 184 A HA 0.013 4.346 4.320 0.023 0.000 0.214 184 A C 1.876 179.566 177.584 0.177 0.000 1.152 184 A CA 0.955 53.026 52.037 0.058 0.000 0.728 184 A CB -0.181 18.812 19.000 -0.010 0.000 0.814 184 A HN 0.216 nan 8.150 nan 0.000 0.464 185 K N 1.205 121.718 120.400 0.188 0.000 2.021 185 K HA -0.119 4.215 4.320 0.023 0.000 0.205 185 K C 1.922 178.536 176.600 0.023 0.000 1.047 185 K CA 1.671 58.007 56.287 0.081 0.000 0.943 185 K CB -0.302 32.193 32.500 -0.007 0.000 0.725 185 K HN 0.636 nan 8.250 nan 0.000 0.439 186 E N 0.507 120.720 120.200 0.022 0.000 2.265 186 E HA -0.189 4.175 4.350 0.023 0.000 0.196 186 E C 1.556 178.158 176.600 0.003 0.000 0.996 186 E CA 0.999 57.402 56.400 0.005 0.000 0.832 186 E CB -0.244 29.461 29.700 0.007 0.000 0.756 186 E HN 0.330 nan 8.360 nan 0.000 0.491 187 L N 0.444 121.672 121.223 0.008 0.000 2.529 187 L HA 0.064 4.418 4.340 0.023 0.000 0.223 187 L C 0.060 176.929 176.870 -0.003 0.000 1.113 187 L CA -0.170 54.667 54.840 -0.006 0.000 0.861 187 L CB -0.385 41.659 42.059 -0.026 0.000 1.012 187 L HN 0.038 nan 8.230 nan 0.000 0.461 188 N N 1.468 120.177 118.700 0.015 0.000 2.696 188 N HA -0.179 4.575 4.740 0.023 0.000 0.256 188 N C -0.659 174.865 175.510 0.022 0.000 1.031 188 N CA 0.899 53.962 53.050 0.021 0.000 0.730 188 N CB -1.223 37.266 38.487 0.003 0.000 0.894 188 N HN 0.288 nan 8.380 nan 0.000 0.544 189 I N -0.185 120.408 120.570 0.038 0.000 2.441 189 I HA 0.193 4.377 4.170 0.023 0.000 0.295 189 I C 0.483 176.640 176.117 0.067 0.000 0.994 189 I CA -0.848 60.440 61.300 -0.019 0.000 1.144 189 I CB 1.678 39.594 38.000 -0.141 0.000 1.314 189 I HN -0.092 nan 8.210 nan 0.000 0.445 190 D N 5.269 125.682 120.400 0.022 0.000 2.312 190 D HA 0.231 4.885 4.640 0.023 0.000 0.252 190 D C -0.794 175.389 176.300 -0.195 0.000 1.150 190 D CA -0.026 54.020 54.000 0.078 0.000 0.870 190 D CB 1.302 42.147 40.800 0.074 0.000 1.153 190 D HN 0.079 nan 8.370 nan 0.000 0.457 191 V N 5.557 125.132 119.914 -0.565 0.000 2.318 191 V HA 0.073 4.206 4.120 0.023 0.000 0.271 191 V C 1.532 177.346 176.094 -0.466 0.000 1.030 191 V CA -0.596 61.328 62.300 -0.626 0.000 0.844 191 V CB 1.044 32.332 31.823 -0.891 0.000 1.015 191 V HN 0.546 nan 8.190 nan 0.000 0.460 192 V N 2.112 121.818 119.914 -0.346 0.000 3.461 192 V HA 0.619 4.753 4.120 0.023 0.000 0.267 192 V C 0.867 176.620 176.094 -0.568 0.000 1.186 192 V CA 1.301 63.316 62.300 -0.475 0.000 1.154 192 V CB -0.596 30.834 31.823 -0.653 0.000 0.802 192 V HN 1.014 nan 8.190 nan 0.000 0.474 193 G N -0.972 107.553 108.800 -0.459 0.000 2.336 193 G HA2 0.441 4.414 3.960 0.023 0.000 0.286 193 G HA3 0.441 4.414 3.960 0.023 0.000 0.286 193 G C -1.514 173.218 174.900 -0.279 0.000 1.269 193 G CA 0.055 44.869 45.100 -0.478 0.000 0.873 193 G HN 0.431 nan 8.290 nan 0.000 0.494 194 V N 0.164 120.036 119.914 -0.068 0.000 2.864 194 V HA 0.859 4.992 4.120 0.023 0.000 0.314 194 V C 0.059 176.175 176.094 0.036 0.000 1.073 194 V CA -0.151 62.164 62.300 0.026 0.000 0.956 194 V CB 1.646 33.597 31.823 0.213 0.000 1.023 194 V HN 1.434 nan 8.190 nan 0.000 0.435 195 S N 2.968 118.662 115.700 -0.011 0.000 2.541 195 S HA 0.896 5.379 4.470 0.023 0.000 0.280 195 S C -1.181 173.439 174.600 0.034 0.000 1.112 195 S CA -0.557 57.601 58.200 -0.071 0.000 0.925 195 S CB 1.630 64.754 63.200 -0.126 0.000 1.067 195 S HN 0.887 nan 8.310 nan 0.000 0.479 196 F N 0.752 120.685 119.950 -0.027 0.000 2.620 196 F HA 0.774 5.315 4.527 0.023 0.000 0.320 196 F C -0.864 174.944 175.800 0.014 0.000 1.069 196 F CA -1.049 56.935 58.000 -0.028 0.000 0.953 196 F CB 1.200 40.155 39.000 -0.075 0.000 1.322 196 F HN 0.758 nan 8.300 nan 0.000 0.479 197 H N 0.854 119.987 119.070 0.105 0.000 2.823 197 H HA 0.528 5.098 4.556 0.023 0.000 0.332 197 H C -0.167 175.179 175.328 0.030 0.000 0.980 197 H CA -0.685 55.375 56.048 0.019 0.000 1.286 197 H CB 1.992 31.766 29.762 0.021 0.000 1.541 197 H HN 0.586 nan 8.280 nan 0.000 0.521 198 V N 3.713 123.489 119.914 -0.230 0.000 2.307 198 V HA 0.121 4.254 4.120 0.023 0.000 0.245 198 V C 1.261 177.304 176.094 -0.084 0.000 1.045 198 V CA 1.458 63.596 62.300 -0.270 0.000 1.024 198 V CB -0.966 30.427 31.823 -0.717 0.000 0.651 198 V HN 1.136 nan 8.190 nan 0.000 0.449 199 G N -0.688 108.106 108.800 -0.011 0.000 2.650 199 G HA2 -0.125 3.848 3.960 0.023 0.000 0.686 199 G HA3 -0.125 3.848 3.960 0.023 0.000 0.686 199 G C 0.274 175.218 174.900 0.074 0.000 1.205 199 G CA -0.142 45.052 45.100 0.157 0.000 0.781 199 G HN 0.174 nan 8.290 nan 0.000 0.648 200 S N 0.273 116.045 115.700 0.120 0.000 2.402 200 S HA 0.069 4.553 4.470 0.023 0.000 0.229 200 S C 2.273 176.923 174.600 0.082 0.000 1.021 200 S CA 1.583 59.851 58.200 0.114 0.000 0.974 200 S CB 0.008 63.286 63.200 0.128 0.000 0.800 200 S HN 1.879 nan 8.310 nan 0.000 0.484 201 G N 1.439 110.274 108.800 0.057 0.000 3.352 201 G HA2 0.109 4.083 3.960 0.023 0.000 0.236 201 G HA3 0.109 4.083 3.960 0.023 0.000 0.236 201 G C 0.287 175.200 174.900 0.023 0.000 1.324 201 G CA -0.251 44.870 45.100 0.035 0.000 1.404 201 G HN 0.599 nan 8.290 nan 0.000 0.542 202 C N 0.683 120.001 119.300 0.031 0.000 2.322 202 C HA 0.610 5.084 4.460 0.023 0.000 0.343 202 C C 1.751 176.765 174.990 0.039 0.000 1.190 202 C CA 0.114 59.143 59.018 0.019 0.000 1.704 202 C CB -0.019 27.729 27.740 0.012 0.000 2.293 202 C HN 0.314 nan 8.230 nan 0.000 0.523 203 T N 2.078 116.647 114.554 0.026 0.000 2.866 203 T HA 0.042 4.406 4.350 0.023 0.000 0.250 203 T C 0.519 175.239 174.700 0.033 0.000 1.033 203 T CA 0.997 63.115 62.100 0.030 0.000 1.145 203 T CB -0.381 68.498 68.868 0.017 0.000 0.866 203 T HN 0.833 nan 8.240 nan 0.000 0.434 204 D N 1.232 121.647 120.400 0.025 0.000 2.308 204 D HA 0.269 4.923 4.640 0.023 0.000 0.251 204 D C -1.718 174.621 176.300 0.066 0.000 1.127 204 D CA -2.242 51.775 54.000 0.028 0.000 0.876 204 D CB 1.814 42.620 40.800 0.009 0.000 1.176 204 D HN 0.115 nan 8.370 nan 0.000 0.446 205 P HA -0.068 nan 4.420 nan 0.000 0.221 205 P C 0.993 178.374 177.300 0.136 0.000 1.150 205 P CA 0.471 63.639 63.100 0.113 0.000 0.800 205 P CB 0.397 32.107 31.700 0.017 0.000 0.787 206 E N -0.383 119.854 120.200 0.062 0.000 2.147 206 E HA -0.169 4.194 4.350 0.023 0.000 0.199 206 E C 1.834 178.443 176.600 0.016 0.000 1.005 206 E CA 1.542 57.961 56.400 0.033 0.000 0.810 206 E CB -1.326 28.377 29.700 0.006 0.000 0.736 206 E HN 0.277 nan 8.360 nan 0.000 0.460 207 T N 0.811 115.365 114.554 0.001 0.000 2.737 207 T HA -0.175 4.189 4.350 0.023 0.000 0.269 207 T C 1.686 176.270 174.700 -0.195 0.000 1.040 207 T CA 1.283 63.317 62.100 -0.109 0.000 1.142 207 T CB -0.434 68.346 68.868 -0.146 0.000 0.861 207 T HN 0.111 nan 8.240 nan 0.000 0.456 208 F N 1.143 121.020 119.950 -0.121 0.000 2.069 208 F HA -0.159 4.381 4.527 0.022 0.000 0.298 208 F C 2.601 178.270 175.800 -0.218 0.000 1.113 208 F CA 1.010 58.940 58.000 -0.118 0.000 1.214 208 F CB -0.988 37.993 39.000 -0.032 0.000 0.978 208 F HN -0.043 nan 8.300 nan 0.000 0.474 209 V N -0.205 119.734 119.914 0.042 0.000 2.255 209 V HA -0.362 3.772 4.120 0.023 0.000 0.247 209 V C 2.278 178.247 176.094 -0.207 0.000 1.051 209 V CA 2.151 64.417 62.300 -0.057 0.000 1.018 209 V CB -1.063 30.763 31.823 0.005 0.000 0.641 209 V HN 0.318 nan 8.190 nan 0.000 0.445 210 Q N 1.139 120.832 119.800 -0.178 0.000 2.062 210 Q HA -0.255 4.099 4.340 0.023 0.000 0.209 210 Q C 2.056 177.850 176.000 -0.343 0.000 0.996 210 Q CA 2.848 58.520 55.803 -0.218 0.000 0.859 210 Q CB -0.714 27.924 28.738 -0.166 0.000 0.920 210 Q HN 0.608 nan 8.270 nan 0.000 0.415 211 A N -0.525 121.995 122.820 -0.501 0.000 1.968 211 A HA -0.026 4.308 4.320 0.023 0.000 0.217 211 A C 2.106 179.155 177.584 -0.892 0.000 1.169 211 A CA 1.210 52.747 52.037 -0.834 0.000 0.638 211 A CB -0.516 17.641 19.000 -1.404 0.000 0.812 211 A HN 0.480 nan 8.150 nan 0.000 0.446 212 I N -0.925 119.237 120.570 -0.680 0.000 2.315 212 I HA -0.176 4.008 4.170 0.023 0.000 0.248 212 I C 2.765 178.671 176.117 -0.353 0.000 1.117 212 I CA 1.329 62.413 61.300 -0.361 0.000 1.404 212 I CB -0.171 37.713 38.000 -0.193 0.000 1.071 212 I HN 0.347 nan 8.210 nan 0.000 0.419 213 S N 0.477 115.796 115.700 -0.635 0.000 2.368 213 S HA -0.222 4.261 4.470 0.023 0.000 0.225 213 S C 1.779 176.237 174.600 -0.237 0.000 1.030 213 S CA 1.807 59.566 58.200 -0.735 0.000 0.999 213 S CB -0.289 62.570 63.200 -0.570 0.000 0.844 213 S HN 0.384 nan 8.310 nan 0.000 0.459 214 D N 1.197 121.477 120.400 -0.199 0.000 2.144 214 D HA 0.016 4.670 4.640 0.023 0.000 0.200 214 D C 2.188 178.506 176.300 0.030 0.000 0.978 214 D CA 1.231 55.183 54.000 -0.081 0.000 0.833 214 D CB -0.554 40.175 40.800 -0.117 0.000 0.961 214 D HN 0.498 nan 8.370 nan 0.000 0.470 215 A N 1.069 123.921 122.820 0.052 0.000 1.930 215 A HA -0.173 4.161 4.320 0.023 0.000 0.217 215 A C 2.167 180.059 177.584 0.513 0.000 1.175 215 A CA 1.519 53.725 52.037 0.283 0.000 0.627 215 A CB -0.347 18.823 19.000 0.285 0.000 0.815 215 A HN 0.054 nan 8.150 nan 0.000 0.443 216 R N 0.191 120.944 120.500 0.422 0.000 2.081 216 R HA -0.156 4.198 4.340 0.023 0.000 0.235 216 R C 2.183 178.601 176.300 0.197 0.000 1.131 216 R CA 2.051 58.275 56.100 0.207 0.000 0.960 216 R CB -1.702 28.696 30.300 0.162 0.000 0.856 216 R HN 0.602 nan 8.270 nan 0.000 0.436 217 C N -0.824 118.580 119.300 0.172 0.000 2.432 217 C HA -0.029 4.445 4.460 0.023 0.000 0.277 217 C C 2.481 177.569 174.990 0.163 0.000 1.249 217 C CA 1.036 60.135 59.018 0.136 0.000 1.725 217 C CB -1.001 26.791 27.740 0.087 0.000 2.028 217 C HN 0.383 nan 8.230 nan 0.000 0.477 218 V N 0.340 120.368 119.914 0.191 0.000 2.407 218 V HA -0.160 3.974 4.120 0.023 0.000 0.248 218 V C 2.290 178.499 176.094 0.192 0.000 1.055 218 V CA 2.357 64.752 62.300 0.157 0.000 1.049 218 V CB -1.040 30.850 31.823 0.112 0.000 0.662 218 V HN 0.537 nan 8.190 nan 0.000 0.455 219 F N 0.773 120.788 119.950 0.108 0.000 2.161 219 F HA -0.167 4.373 4.527 0.023 0.000 0.300 219 F C 2.216 178.057 175.800 0.069 0.000 1.089 219 F CA 1.843 59.904 58.000 0.100 0.000 1.282 219 F CB -0.401 38.654 39.000 0.092 0.000 1.010 219 F HN 0.245 nan 8.300 nan 0.000 0.485 220 D N -0.341 120.203 120.400 0.238 0.000 2.077 220 D HA -0.175 4.479 4.640 0.023 0.000 0.196 220 D C 2.498 178.867 176.300 0.115 0.000 0.986 220 D CA 1.194 55.279 54.000 0.142 0.000 0.829 220 D CB -0.622 40.238 40.800 0.101 0.000 0.983 220 D HN 0.163 nan 8.370 nan 0.000 0.453 221 M N 0.542 120.205 119.600 0.106 0.000 2.128 221 M HA -0.199 4.294 4.480 0.023 0.000 0.253 221 M C 2.196 178.560 176.300 0.106 0.000 1.079 221 M CA 2.067 57.421 55.300 0.090 0.000 1.082 221 M CB -0.715 31.933 32.600 0.080 0.000 1.335 221 M HN 0.108 nan 8.290 nan 0.000 0.401 222 G N -1.092 107.777 108.800 0.114 0.000 2.430 222 G HA2 0.046 4.020 3.960 0.023 0.000 0.216 222 G HA3 0.046 4.020 3.960 0.023 0.000 0.216 222 G C 1.557 176.572 174.900 0.192 0.000 1.146 222 G CA 0.777 45.975 45.100 0.163 0.000 0.793 222 G HN 0.568 nan 8.290 nan 0.000 0.537 223 A N 0.884 123.787 122.820 0.138 0.000 1.929 223 A HA 0.064 4.397 4.320 0.023 0.000 0.216 223 A C 2.054 179.679 177.584 0.068 0.000 1.176 223 A CA 1.651 53.755 52.037 0.111 0.000 0.628 223 A CB -0.357 18.710 19.000 0.112 0.000 0.816 223 A HN 0.398 nan 8.150 nan 0.000 0.444 224 E N -0.258 119.983 120.200 0.067 0.000 2.147 224 E HA -0.184 4.180 4.350 0.023 0.000 0.199 224 E C 1.291 177.904 176.600 0.021 0.000 1.005 224 E CA 1.855 58.281 56.400 0.043 0.000 0.810 224 E CB -0.256 29.473 29.700 0.049 0.000 0.736 224 E HN 0.617 nan 8.360 nan 0.000 0.460 225 V N -3.052 116.878 119.914 0.027 0.000 3.177 225 V HA 0.446 4.579 4.120 0.023 0.000 0.342 225 V C 0.817 176.817 176.094 -0.157 0.000 1.379 225 V CA 0.117 62.397 62.300 -0.035 0.000 1.191 225 V CB 0.026 31.851 31.823 0.003 0.000 1.167 225 V HN 0.234 nan 8.190 nan 0.000 0.471 226 G N 0.313 109.053 108.800 -0.099 0.000 2.212 226 G HA2 -0.255 3.718 3.960 0.023 0.000 0.255 226 G HA3 -0.255 3.718 3.960 0.023 0.000 0.255 226 G C -0.480 174.274 174.900 -0.243 0.000 1.062 226 G CA -0.101 44.910 45.100 -0.147 0.000 0.815 226 G HN 0.420 nan 8.290 nan 0.000 0.497 227 F N 0.745 120.696 119.950 0.003 0.000 2.410 227 F HA 0.615 5.156 4.527 0.023 0.000 0.349 227 F C 1.046 176.850 175.800 0.007 0.000 1.117 227 F CA -0.836 57.158 58.000 -0.009 0.000 1.104 227 F CB 2.203 41.177 39.000 -0.043 0.000 1.122 227 F HN 0.034 nan 8.300 nan 0.000 0.483 228 S N 5.901 121.758 115.700 0.261 0.000 3.965 228 S HA 0.360 4.843 4.470 0.023 0.000 0.195 228 S C -0.016 174.724 174.600 0.232 0.000 1.449 228 S CA -0.553 57.773 58.200 0.210 0.000 0.965 228 S CB -0.762 62.551 63.200 0.188 0.000 1.459 228 S HN 0.464 nan 8.310 nan 0.000 0.476 229 M N 3.512 123.192 119.600 0.134 0.000 2.185 229 M HA 0.227 4.721 4.480 0.023 0.000 0.357 229 M C 0.061 176.516 176.300 0.257 0.000 1.260 229 M CA -0.166 55.090 55.300 -0.074 0.000 1.124 229 M CB 0.732 32.950 32.600 -0.636 0.000 1.600 229 M HN 0.712 nan 8.290 nan 0.000 0.467 230 Y N 1.763 122.194 120.300 0.218 0.000 2.626 230 Y HA 0.658 5.222 4.550 0.023 0.000 0.248 230 Y C -0.885 175.243 175.900 0.380 0.000 1.147 230 Y CA -0.779 57.529 58.100 0.346 0.000 1.219 230 Y CB 0.335 38.916 38.460 0.203 0.000 1.279 230 Y HN 0.519 nan 8.280 nan 0.000 0.541 231 L N 2.285 123.621 121.223 0.188 0.000 2.376 231 L HA 0.632 4.985 4.340 0.023 0.000 0.275 231 L C -1.810 175.257 176.870 0.329 0.000 0.987 231 L CA -1.236 53.697 54.840 0.155 0.000 0.828 231 L CB 2.077 44.027 42.059 -0.182 0.000 1.249 231 L HN 0.276 nan 8.230 nan 0.000 0.409 232 L N 4.800 126.140 121.223 0.196 0.000 2.325 232 L HA 0.585 4.938 4.340 0.023 0.000 0.281 232 L C -1.253 175.579 176.870 -0.064 0.000 1.004 232 L CA 0.010 54.869 54.840 0.032 0.000 0.823 232 L CB 1.529 43.358 42.059 -0.384 0.000 1.236 232 L HN 0.557 nan 8.230 nan 0.000 0.415 233 D N 4.695 125.029 120.400 -0.110 0.000 2.414 233 D HA 0.232 4.885 4.640 0.023 0.000 0.232 233 D C 0.710 176.774 176.300 -0.393 0.000 1.070 233 D CA -0.355 53.537 54.000 -0.181 0.000 0.839 233 D CB 1.141 41.836 40.800 -0.176 0.000 1.079 233 D HN 0.648 nan 8.370 nan 0.000 0.521 234 I N 1.212 121.564 120.570 -0.363 0.000 3.812 234 I HA 0.435 4.619 4.170 0.023 0.000 0.320 234 I C 0.986 176.739 176.117 -0.608 0.000 1.276 234 I CA -0.016 60.822 61.300 -0.770 0.000 1.164 234 I CB -0.250 37.697 38.000 -0.089 0.000 1.009 234 I HN 0.464 nan 8.210 nan 0.000 0.431 235 G N 0.859 109.486 108.800 -0.288 0.000 2.584 235 G HA2 0.008 3.982 3.960 0.023 0.000 0.229 235 G HA3 0.008 3.982 3.960 0.023 0.000 0.229 235 G C -0.075 174.894 174.900 0.116 0.000 1.320 235 G CA -0.411 44.612 45.100 -0.128 0.000 0.891 235 G HN 0.827 nan 8.290 nan 0.000 0.573 236 G N -3.193 105.552 108.800 -0.092 0.000 3.259 236 G HA2 0.777 4.751 3.960 0.023 0.000 0.178 236 G HA3 0.777 4.751 3.960 0.023 0.000 0.178 236 G C 1.223 176.140 174.900 0.028 0.000 1.129 236 G CA 1.167 46.497 45.100 0.383 0.000 0.816 236 G HN 2.651 nan 8.290 nan 0.000 0.634 237 G N -1.564 107.382 108.800 0.242 0.000 2.144 237 G HA2 -0.155 3.819 3.960 0.023 0.000 0.218 237 G HA3 -0.155 3.819 3.960 0.023 0.000 0.218 237 G C 0.047 175.001 174.900 0.090 0.000 0.988 237 G CA 0.025 45.188 45.100 0.105 0.000 0.659 237 G HN 0.570 nan 8.290 nan 0.000 0.522 238 F N 1.174 121.341 119.950 0.363 0.000 2.399 238 F HA 0.518 5.059 4.527 0.022 0.000 0.342 238 F C -1.405 174.627 175.800 0.387 0.000 1.106 238 F CA -2.172 56.063 58.000 0.392 0.000 1.196 238 F CB 0.895 40.157 39.000 0.437 0.000 1.163 238 F HN -0.120 nan 8.300 nan 0.000 0.547 239 P HA 0.191 nan 4.420 nan 0.000 0.277 239 P C 0.312 177.838 177.300 0.377 0.000 1.240 239 P CA -0.213 63.112 63.100 0.376 0.000 0.798 239 P CB 0.913 32.797 31.700 0.307 0.000 0.979 240 G N -0.346 108.605 108.800 0.252 0.000 3.277 240 G HA2 0.291 4.264 3.960 0.023 0.000 0.243 240 G HA3 0.291 4.264 3.960 0.023 0.000 0.243 240 G C -0.056 174.889 174.900 0.075 0.000 1.107 240 G CA 0.106 45.281 45.100 0.126 0.000 0.771 240 G HN 0.635 nan 8.290 nan 0.000 0.544 241 S N -1.373 114.402 115.700 0.124 0.000 2.579 241 S HA 0.440 4.923 4.470 0.023 0.000 0.272 241 S C 0.070 174.742 174.600 0.120 0.000 1.141 241 S CA -0.544 57.719 58.200 0.104 0.000 0.843 241 S CB 1.957 65.224 63.200 0.112 0.000 1.122 241 S HN -0.156 nan 8.310 nan 0.000 0.468 242 E N 0.749 121.009 120.200 0.100 0.000 2.418 242 E HA 0.032 4.396 4.350 0.023 0.000 0.197 242 E C 0.233 176.890 176.600 0.094 0.000 1.026 242 E CA 0.657 57.116 56.400 0.099 0.000 0.862 242 E CB -0.291 29.458 29.700 0.080 0.000 0.799 242 E HN 0.763 nan 8.360 nan 0.000 0.518 243 D N 0.653 121.111 120.400 0.096 0.000 2.881 243 D HA 0.036 4.689 4.640 0.023 0.000 0.240 243 D C -0.254 176.106 176.300 0.100 0.000 1.249 243 D CA -0.268 53.786 54.000 0.090 0.000 0.839 243 D CB -0.210 40.645 40.800 0.091 0.000 1.042 243 D HN -0.114 nan 8.370 nan 0.000 0.475 244 V N -3.145 116.831 119.914 0.103 0.000 3.141 244 V HA 0.490 4.624 4.120 0.023 0.000 0.312 244 V C 1.207 177.353 176.094 0.087 0.000 1.157 244 V CA -0.992 61.371 62.300 0.105 0.000 1.041 244 V CB 2.040 33.941 31.823 0.130 0.000 1.071 244 V HN -0.166 nan 8.190 nan 0.000 0.441 245 K N 0.053 120.499 120.400 0.077 0.000 2.044 245 K HA 0.194 4.528 4.320 0.023 0.000 0.204 245 K C 0.766 177.402 176.600 0.060 0.000 1.045 245 K CA 0.814 57.136 56.287 0.059 0.000 0.951 245 K CB -0.015 32.512 32.500 0.045 0.000 0.738 245 K HN 0.665 nan 8.250 nan 0.000 0.443 246 L N 3.287 124.550 121.223 0.067 0.000 2.342 246 L HA 0.117 4.471 4.340 0.023 0.000 0.285 246 L C -0.748 176.179 176.870 0.094 0.000 1.095 246 L CA 0.158 55.037 54.840 0.065 0.000 0.843 246 L CB 0.398 42.492 42.059 0.059 0.000 1.201 246 L HN -0.025 nan 8.230 nan 0.000 0.445 247 K N 3.891 124.344 120.400 0.088 0.000 2.090 247 K HA 0.103 4.436 4.320 0.023 0.000 0.250 247 K C 0.749 177.450 176.600 0.168 0.000 1.004 247 K CA -0.570 55.800 56.287 0.138 0.000 0.919 247 K CB 0.794 33.363 32.500 0.115 0.000 1.045 247 K HN 0.498 nan 8.250 nan 0.000 0.471 248 F N 2.447 122.457 119.950 0.100 0.000 2.027 248 F HA -0.275 4.266 4.527 0.024 0.000 0.297 248 F C 1.854 177.655 175.800 0.002 0.000 1.129 248 F CA 2.120 60.180 58.000 0.101 0.000 1.195 248 F CB -0.149 38.947 39.000 0.161 0.000 0.960 248 F HN 0.637 nan 8.300 nan 0.000 0.485 249 E N 0.121 120.223 120.200 -0.164 0.000 2.153 249 E HA -0.211 4.152 4.350 0.023 0.000 0.194 249 E C 2.157 178.591 176.600 -0.277 0.000 0.988 249 E CA 1.321 57.512 56.400 -0.349 0.000 0.811 249 E CB -0.379 29.253 29.700 -0.114 0.000 0.746 249 E HN 0.653 nan 8.360 nan 0.000 0.466 250 E N 0.400 120.511 120.200 -0.148 0.000 2.070 250 E HA -0.232 4.132 4.350 0.023 0.000 0.197 250 E C 1.867 178.362 176.600 -0.175 0.000 1.004 250 E CA 1.483 57.812 56.400 -0.118 0.000 0.805 250 E CB -0.155 29.515 29.700 -0.050 0.000 0.744 250 E HN 0.277 nan 8.360 nan 0.000 0.451 251 I N 0.813 121.253 120.570 -0.218 0.000 2.286 251 I HA -0.258 3.926 4.170 0.023 0.000 0.248 251 I C 2.768 178.627 176.117 -0.429 0.000 1.115 251 I CA 1.625 62.733 61.300 -0.319 0.000 1.392 251 I CB -0.648 37.139 38.000 -0.357 0.000 1.065 251 I HN 0.329 nan 8.210 nan 0.000 0.418 252 T N -1.323 112.925 114.554 -0.509 0.000 3.035 252 T HA -0.015 4.349 4.350 0.023 0.000 0.268 252 T C 1.920 176.423 174.700 -0.328 0.000 1.109 252 T CA 0.952 62.745 62.100 -0.512 0.000 1.119 252 T CB -0.602 67.832 68.868 -0.723 0.000 0.900 252 T HN 0.420 nan 8.240 nan 0.000 0.503 253 G N 1.582 110.225 108.800 -0.261 0.000 2.422 253 G HA2 -0.104 3.870 3.960 0.023 0.000 0.218 253 G HA3 -0.104 3.870 3.960 0.023 0.000 0.218 253 G C 1.590 176.410 174.900 -0.132 0.000 1.146 253 G CA 1.142 46.141 45.100 -0.169 0.000 0.769 253 G HN 0.843 nan 8.290 nan 0.000 0.547 254 V N -2.098 117.731 119.914 -0.142 0.000 3.649 254 V HA 0.410 4.543 4.120 0.023 0.000 0.275 254 V C 2.004 178.049 176.094 -0.081 0.000 1.281 254 V CA 0.396 62.643 62.300 -0.089 0.000 1.143 254 V CB -0.107 31.678 31.823 -0.063 0.000 0.892 254 V HN 0.325 nan 8.190 nan 0.000 0.441 255 I N -0.038 120.445 120.570 -0.144 0.000 2.899 255 I HA 0.087 4.270 4.170 0.023 0.000 0.257 255 I C 2.381 178.462 176.117 -0.060 0.000 1.115 255 I CA 0.527 61.760 61.300 -0.111 0.000 1.451 255 I CB -0.176 37.688 38.000 -0.227 0.000 1.251 255 I HN 0.203 nan 8.210 nan 0.000 0.456 256 N N 1.377 120.014 118.700 -0.105 0.000 2.060 256 N HA -0.184 4.570 4.740 0.023 0.000 0.195 256 N C -0.906 174.596 175.510 -0.014 0.000 1.028 256 N CA 1.848 54.857 53.050 -0.069 0.000 0.861 256 N CB -1.823 36.602 38.487 -0.102 0.000 1.029 256 N HN 0.229 nan 8.380 nan 0.000 0.428 257 P HA -0.125 nan 4.420 nan 0.000 0.213 257 P C 1.271 178.621 177.300 0.085 0.000 1.170 257 P CA 2.093 65.207 63.100 0.023 0.000 0.902 257 P CB -0.226 31.482 31.700 0.013 0.000 0.789 258 A N -0.822 122.064 122.820 0.109 0.000 1.917 258 A HA -0.211 4.122 4.320 0.023 0.000 0.219 258 A C 2.312 180.070 177.584 0.290 0.000 1.182 258 A CA 1.736 53.904 52.037 0.218 0.000 0.633 258 A CB -1.733 17.346 19.000 0.132 0.000 0.819 258 A HN 0.101 nan 8.150 nan 0.000 0.448 259 L N -0.698 120.631 121.223 0.176 0.000 2.005 259 L HA -0.184 4.170 4.340 0.023 0.000 0.207 259 L C 2.164 179.159 176.870 0.209 0.000 1.072 259 L CA 1.613 56.570 54.840 0.194 0.000 0.744 259 L CB -0.782 41.331 42.059 0.090 0.000 0.895 259 L HN 0.310 nan 8.230 nan 0.000 0.433 260 D N -0.108 120.363 120.400 0.119 0.000 2.221 260 D HA -0.200 4.454 4.640 0.023 0.000 0.204 260 D C 2.001 178.339 176.300 0.063 0.000 0.982 260 D CA 1.136 55.183 54.000 0.079 0.000 0.857 260 D CB 0.032 40.853 40.800 0.036 0.000 0.934 260 D HN 0.280 nan 8.370 nan 0.000 0.475 261 K N -0.251 120.199 120.400 0.083 0.000 1.980 261 K HA -0.112 4.222 4.320 0.023 0.000 0.208 261 K C 1.866 178.408 176.600 -0.097 0.000 1.043 261 K CA 0.979 57.240 56.287 -0.043 0.000 0.938 261 K CB -0.170 32.275 32.500 -0.091 0.000 0.724 261 K HN 0.127 nan 8.250 nan 0.000 0.438 262 Y N -1.429 118.906 120.300 0.058 0.000 2.544 262 Y HA 0.101 4.665 4.550 0.023 0.000 0.286 262 Y C 0.299 176.051 175.900 -0.247 0.000 1.141 262 Y CA 0.049 58.132 58.100 -0.027 0.000 1.299 262 Y CB 0.450 38.974 38.460 0.108 0.000 1.030 262 Y HN -0.028 nan 8.280 nan 0.000 0.543 263 F N 0.701 120.688 119.950 0.063 0.000 2.576 263 F HA 0.332 4.872 4.527 0.023 0.000 0.365 263 F C -2.443 173.352 175.800 -0.008 0.000 1.506 263 F CA -2.546 55.440 58.000 -0.024 0.000 1.113 263 F CB 0.490 39.456 39.000 -0.057 0.000 1.293 263 F HN -0.194 nan 8.300 nan 0.000 0.540 264 P HA -0.025 nan 4.420 nan 0.000 0.265 264 P C 0.837 178.175 177.300 0.062 0.000 1.187 264 P CA 0.472 63.601 63.100 0.049 0.000 0.766 264 P CB 1.238 32.939 31.700 0.002 0.000 0.820 265 S N 1.099 116.837 115.700 0.063 0.000 2.453 265 S HA -0.157 4.327 4.470 0.023 0.000 0.231 265 S C 1.272 175.908 174.600 0.061 0.000 1.005 265 S CA 1.022 59.265 58.200 0.072 0.000 0.949 265 S CB -0.907 62.331 63.200 0.063 0.000 0.774 265 S HN 0.551 nan 8.310 nan 0.000 0.510 266 D N 2.839 123.264 120.400 0.042 0.000 2.309 266 D HA -0.114 4.540 4.640 0.023 0.000 0.212 266 D C 1.742 178.066 176.300 0.041 0.000 0.968 266 D CA 1.146 55.167 54.000 0.035 0.000 0.882 266 D CB -0.871 39.941 40.800 0.021 0.000 0.918 266 D HN 0.626 nan 8.370 nan 0.000 0.503 267 S N -1.049 114.677 115.700 0.044 0.000 2.660 267 S HA 0.240 4.724 4.470 0.023 0.000 0.223 267 S C 1.886 176.546 174.600 0.100 0.000 0.963 267 S CA 0.365 58.597 58.200 0.053 0.000 0.932 267 S CB -0.856 62.350 63.200 0.011 0.000 0.775 267 S HN 0.547 nan 8.310 nan 0.000 0.531 268 G N 0.599 109.458 108.800 0.099 0.000 2.200 268 G HA2 -0.294 3.679 3.960 0.023 0.000 0.267 268 G HA3 -0.294 3.679 3.960 0.023 0.000 0.267 268 G C 0.276 175.280 174.900 0.174 0.000 0.993 268 G CA 0.419 45.588 45.100 0.115 0.000 0.701 268 G HN 0.908 nan 8.290 nan 0.000 0.524 269 V N 0.154 120.192 119.914 0.207 0.000 3.032 269 V HA 0.422 4.556 4.120 0.023 0.000 0.307 269 V C 1.058 177.300 176.094 0.247 0.000 1.097 269 V CA 0.301 62.772 62.300 0.285 0.000 1.191 269 V CB 1.210 33.219 31.823 0.309 0.000 0.964 269 V HN 0.494 nan 8.190 nan 0.000 0.494 270 R N 5.727 126.401 120.500 0.290 0.000 2.480 270 R HA 0.538 4.892 4.340 0.023 0.000 0.306 270 R C -1.215 175.197 176.300 0.186 0.000 0.958 270 R CA -0.630 55.613 56.100 0.238 0.000 0.861 270 R CB 1.199 31.675 30.300 0.293 0.000 1.171 270 R HN 0.745 nan 8.270 nan 0.000 0.445 271 I N 6.775 127.430 120.570 0.142 0.000 2.378 271 I HA 0.415 4.599 4.170 0.023 0.000 0.291 271 I C 0.363 176.563 176.117 0.138 0.000 0.992 271 I CA -0.977 60.377 61.300 0.090 0.000 1.154 271 I CB 1.573 39.598 38.000 0.042 0.000 1.315 271 I HN 0.576 nan 8.210 nan 0.000 0.448 272 I N 2.688 123.319 120.570 0.101 0.000 3.108 272 I HA 1.033 5.216 4.170 0.023 0.000 0.312 272 I C -0.812 175.385 176.117 0.133 0.000 1.095 272 I CA -0.668 60.730 61.300 0.163 0.000 1.000 272 I CB 2.358 40.382 38.000 0.040 0.000 1.229 272 I HN 0.639 nan 8.210 nan 0.000 0.454 273 A N 2.216 125.165 122.820 0.215 0.000 2.594 273 A HA 0.678 5.011 4.320 0.023 0.000 0.291 273 A C -1.224 176.462 177.584 0.171 0.000 1.105 273 A CA -0.666 51.497 52.037 0.209 0.000 0.694 273 A CB 1.712 20.947 19.000 0.392 0.000 1.291 273 A HN 0.796 nan 8.150 nan 0.000 0.410 274 E N 1.575 121.891 120.200 0.192 0.000 3.170 274 E HA 0.286 4.649 4.350 0.023 0.000 0.212 274 E C -2.657 174.094 176.600 0.253 0.000 1.143 274 E CA -1.605 54.907 56.400 0.186 0.000 1.139 274 E CB 0.941 30.747 29.700 0.177 0.000 1.346 274 E HN 0.438 nan 8.360 nan 0.000 0.432 275 P HA 0.178 nan 4.420 nan 0.000 0.282 275 P C 0.117 177.667 177.300 0.416 0.000 1.249 275 P CA -0.064 63.241 63.100 0.341 0.000 0.806 275 P CB 2.180 33.971 31.700 0.153 0.000 0.984 276 G N 2.873 111.951 108.800 0.463 0.000 2.465 276 G HA2 -0.009 3.965 3.960 0.023 0.000 0.178 276 G HA3 -0.009 3.965 3.960 0.023 0.000 0.178 276 G C 1.218 176.369 174.900 0.419 0.000 1.591 276 G CA -0.142 45.204 45.100 0.409 0.000 0.689 276 G HN 0.480 nan 8.290 nan 0.000 0.708 277 R N -0.486 120.249 120.500 0.392 0.000 2.154 277 R HA -0.181 4.173 4.340 0.023 0.000 0.248 277 R C 2.180 178.650 176.300 0.284 0.000 1.155 277 R CA 1.918 58.215 56.100 0.328 0.000 0.979 277 R CB -1.121 29.420 30.300 0.401 0.000 0.869 277 R HN 0.413 nan 8.270 nan 0.000 0.452 278 Y N 1.109 121.556 120.300 0.246 0.000 2.114 278 Y HA -0.313 4.252 4.550 0.024 0.000 0.282 278 Y C 1.653 177.523 175.900 -0.050 0.000 1.165 278 Y CA 1.623 59.777 58.100 0.091 0.000 1.148 278 Y CB -0.467 38.036 38.460 0.072 0.000 0.972 278 Y HN 0.027 nan 8.280 nan 0.000 0.504 279 Y N -1.021 119.156 120.300 -0.205 0.000 2.337 279 Y HA -0.087 4.476 4.550 0.022 0.000 0.293 279 Y C 2.404 178.146 175.900 -0.263 0.000 1.123 279 Y CA 1.826 59.706 58.100 -0.366 0.000 1.201 279 Y CB 0.059 38.305 38.460 -0.356 0.000 1.011 279 Y HN 0.176 nan 8.280 nan 0.000 0.545 280 V N -4.954 114.971 119.914 0.018 0.000 3.572 280 V HA 0.399 4.532 4.120 0.023 0.000 0.260 280 V C 2.055 178.180 176.094 0.052 0.000 1.324 280 V CA 0.460 62.779 62.300 0.032 0.000 1.068 280 V CB -0.548 31.261 31.823 -0.023 0.000 0.837 280 V HN 0.085 nan 8.190 nan 0.000 0.450 281 A N 2.685 125.533 122.820 0.046 0.000 1.896 281 A HA -0.273 4.061 4.320 0.023 0.000 0.220 281 A C 2.508 180.167 177.584 0.124 0.000 1.206 281 A CA 3.483 55.570 52.037 0.085 0.000 0.647 281 A CB -1.216 17.854 19.000 0.117 0.000 0.828 281 A HN 1.129 nan 8.150 nan 0.000 0.455 282 S N -0.680 115.077 115.700 0.095 0.000 2.496 282 S HA 0.319 4.802 4.470 0.023 0.000 0.224 282 S C 1.903 176.596 174.600 0.155 0.000 0.996 282 S CA 0.967 59.234 58.200 0.111 0.000 0.927 282 S CB -0.408 62.826 63.200 0.057 0.000 0.774 282 S HN 0.988 nan 8.310 nan 0.000 0.524 283 A N 0.480 123.414 122.820 0.192 0.000 2.125 283 A HA 0.272 4.606 4.320 0.023 0.000 0.219 283 A C 0.305 178.065 177.584 0.293 0.000 1.156 283 A CA 0.587 52.766 52.037 0.237 0.000 0.671 283 A CB -0.510 18.647 19.000 0.262 0.000 0.794 283 A HN 0.511 nan 8.150 nan 0.000 0.459 284 F N -0.512 119.499 119.950 0.103 0.000 2.467 284 F HA 0.483 5.023 4.527 0.022 0.000 0.336 284 F C 0.194 176.123 175.800 0.214 0.000 1.123 284 F CA -0.548 57.558 58.000 0.176 0.000 0.964 284 F CB 2.037 41.147 39.000 0.183 0.000 1.136 284 F HN -0.240 nan 8.300 nan 0.000 0.447 285 T N 4.554 119.293 114.554 0.308 0.000 2.856 285 T HA 0.593 4.957 4.350 0.023 0.000 0.283 285 T C -1.346 173.371 174.700 0.029 0.000 1.008 285 T CA -0.535 61.669 62.100 0.173 0.000 0.997 285 T CB 1.697 70.613 68.868 0.081 0.000 0.992 285 T HN 0.407 nan 8.240 nan 0.000 0.454 286 L N 2.831 123.980 121.223 -0.123 0.000 2.313 286 L HA 0.826 5.180 4.340 0.023 0.000 0.283 286 L C -0.570 176.154 176.870 -0.243 0.000 1.013 286 L CA -0.627 53.931 54.840 -0.470 0.000 0.816 286 L CB 0.818 42.492 42.059 -0.641 0.000 1.236 286 L HN 0.732 nan 8.230 nan 0.000 0.419 287 A N 5.939 128.469 122.820 -0.484 0.000 2.256 287 A HA 0.687 5.021 4.320 0.023 0.000 0.317 287 A C -0.553 177.060 177.584 0.048 0.000 1.318 287 A CA -0.278 51.556 52.037 -0.338 0.000 0.894 287 A CB 0.572 18.910 19.000 -1.103 0.000 1.165 287 A HN 0.997 nan 8.150 nan 0.000 0.525 288 V N 0.976 121.060 119.914 0.283 0.000 2.850 288 V HA 0.605 4.738 4.120 0.023 0.000 0.315 288 V C -0.046 176.121 176.094 0.121 0.000 1.064 288 V CA -1.161 61.278 62.300 0.231 0.000 0.979 288 V CB 1.889 33.854 31.823 0.236 0.000 1.039 288 V HN 0.815 nan 8.190 nan 0.000 0.452 289 N N 1.687 120.275 118.700 -0.187 0.000 2.372 289 N HA 0.451 5.204 4.740 0.023 0.000 0.291 289 N C -0.742 174.636 175.510 -0.220 0.000 1.024 289 N CA -0.714 52.034 53.050 -0.503 0.000 0.873 289 N CB 1.694 39.599 38.487 -0.969 0.000 1.206 289 N HN 0.785 nan 8.380 nan 0.000 0.486 290 I N 5.375 125.835 120.570 -0.182 0.000 2.578 290 I HA -0.026 4.158 4.170 0.023 0.000 0.286 290 I C 1.567 177.655 176.117 -0.049 0.000 1.126 290 I CA 0.231 61.493 61.300 -0.063 0.000 1.380 290 I CB 0.304 38.240 38.000 -0.105 0.000 1.408 290 I HN 0.601 nan 8.210 nan 0.000 0.532 291 I N 3.161 123.747 120.570 0.027 0.000 4.139 291 I HA 0.550 4.734 4.170 0.023 0.000 0.320 291 I C 0.773 176.915 176.117 0.042 0.000 1.290 291 I CA -0.030 61.275 61.300 0.009 0.000 1.253 291 I CB 0.359 38.361 38.000 0.003 0.000 1.122 291 I HN 0.484 nan 8.210 nan 0.000 0.421 292 A N 0.997 123.887 122.820 0.116 0.000 2.569 292 A HA 0.851 5.185 4.320 0.023 0.000 0.290 292 A C -1.173 176.574 177.584 0.272 0.000 1.136 292 A CA -0.636 51.456 52.037 0.092 0.000 0.710 292 A CB 1.872 20.792 19.000 -0.133 0.000 1.303 292 A HN 0.163 nan 8.150 nan 0.000 0.413 293 K N 0.396 120.920 120.400 0.206 0.000 2.557 293 K HA 0.510 4.844 4.320 0.023 0.000 0.261 293 K C -1.821 174.878 176.600 0.166 0.000 0.932 293 K CA -0.446 56.002 56.287 0.269 0.000 0.829 293 K CB 1.759 34.411 32.500 0.255 0.000 1.358 293 K HN 0.690 nan 8.250 nan 0.000 0.430 294 K N 3.173 123.670 120.400 0.162 0.000 2.426 294 K HA 0.530 4.863 4.320 0.023 0.000 0.251 294 K C -0.964 175.657 176.600 0.036 0.000 0.941 294 K CA -0.779 55.553 56.287 0.076 0.000 0.808 294 K CB 1.938 34.472 32.500 0.058 0.000 1.265 294 K HN 0.414 nan 8.250 nan 0.000 0.432 295 I N 2.580 123.133 120.570 -0.028 0.000 2.378 295 I HA 0.288 4.472 4.170 0.023 0.000 0.291 295 I C -0.577 175.436 176.117 -0.174 0.000 0.992 295 I CA -1.125 60.071 61.300 -0.173 0.000 1.154 295 I CB 1.736 39.653 38.000 -0.139 0.000 1.315 295 I HN 0.211 nan 8.210 nan 0.000 0.448 296 V N 5.285 125.058 119.914 -0.235 0.000 2.495 296 V HA 0.563 4.697 4.120 0.023 0.000 0.298 296 V C -0.168 175.829 176.094 -0.162 0.000 1.031 296 V CA -0.793 61.414 62.300 -0.154 0.000 0.871 296 V CB 1.622 33.382 31.823 -0.104 0.000 0.988 296 V HN 0.415 nan 8.190 nan 0.000 0.432 312 Q N 0.917 120.534 119.800 -0.305 0.000 2.240 312 Q HA 0.142 4.495 4.340 0.023 0.000 0.194 312 Q C 0.668 176.564 176.000 -0.173 0.000 0.982 312 Q CA 1.844 57.573 55.803 -0.124 0.000 0.842 312 Q CB 0.467 29.171 28.738 -0.057 0.000 0.941 312 Q HN 0.694 nan 8.270 nan 0.000 0.516 313 T N -1.435 112.940 114.554 -0.298 0.000 2.888 313 T HA 0.663 5.027 4.350 0.023 0.000 0.284 313 T C -0.479 173.919 174.700 -0.504 0.000 1.017 313 T CA -0.651 61.308 62.100 -0.235 0.000 1.022 313 T CB 0.995 69.822 68.868 -0.068 0.000 1.013 313 T HN -0.113 nan 8.240 nan 0.000 0.465 314 F N 1.104 120.953 119.950 -0.169 0.000 2.492 314 F HA 0.619 5.160 4.527 0.024 0.000 0.327 314 F C 0.423 175.981 175.800 -0.403 0.000 1.079 314 F CA -1.297 56.471 58.000 -0.387 0.000 0.967 314 F CB 2.190 40.770 39.000 -0.701 0.000 1.169 314 F HN 0.358 nan 8.300 nan 0.000 0.472 315 M N 3.416 122.915 119.600 -0.168 0.000 2.167 315 M HA 0.391 4.885 4.480 0.023 0.000 0.333 315 M C -1.617 174.551 176.300 -0.219 0.000 1.030 315 M CA -0.594 54.635 55.300 -0.118 0.000 0.963 315 M CB 1.230 33.804 32.600 -0.043 0.000 1.589 315 M HN 0.422 nan 8.290 nan 0.000 0.431 316 Y N 1.858 122.231 120.300 0.122 0.000 2.360 316 Y HA 0.468 5.032 4.550 0.023 0.000 0.337 316 Y C -0.943 174.950 175.900 -0.012 0.000 1.039 316 Y CA -0.830 57.330 58.100 0.100 0.000 1.109 316 Y CB 0.950 39.442 38.460 0.054 0.000 1.201 316 Y HN 0.417 nan 8.280 nan 0.000 0.458 317 Y N 2.218 122.675 120.300 0.263 0.000 2.334 317 Y HA 0.528 5.091 4.550 0.022 0.000 0.336 317 Y C 0.134 176.102 175.900 0.113 0.000 0.960 317 Y CA -1.226 56.983 58.100 0.181 0.000 1.164 317 Y CB 1.171 39.681 38.460 0.082 0.000 1.155 317 Y HN 0.441 nan 8.280 nan 0.000 0.478 318 V N 0.178 120.204 119.914 0.186 0.000 2.975 318 V HA 0.546 4.680 4.120 0.023 0.000 0.318 318 V C 0.092 176.224 176.094 0.064 0.000 1.077 318 V CA -1.101 61.263 62.300 0.107 0.000 1.000 318 V CB 2.089 33.982 31.823 0.117 0.000 1.066 318 V HN 0.795 nan 8.190 nan 0.000 0.452 319 N N 0.265 118.980 118.700 0.025 0.000 2.575 319 N HA 0.321 5.074 4.740 0.023 0.000 0.275 319 N C -0.776 174.737 175.510 0.006 0.000 1.202 319 N CA -0.073 52.961 53.050 -0.028 0.000 0.945 319 N CB -0.098 38.383 38.487 -0.010 0.000 1.247 319 N HN 0.852 nan 8.380 nan 0.000 0.510 320 D N -1.556 118.883 120.400 0.065 0.000 2.717 320 D HA 0.670 5.324 4.640 0.023 0.000 0.223 320 D C -0.714 175.736 176.300 0.249 0.000 1.240 320 D CA -0.367 53.702 54.000 0.115 0.000 0.801 320 D CB 1.990 42.828 40.800 0.063 0.000 1.556 320 D HN 0.227 nan 8.370 nan 0.000 0.462 321 G N -0.566 108.391 108.800 0.263 0.000 3.086 321 G HA2 0.439 4.412 3.960 0.023 0.000 0.282 321 G HA3 0.439 4.412 3.960 0.023 0.000 0.282 321 G C 0.666 175.727 174.900 0.268 0.000 1.343 321 G CA -0.073 45.185 45.100 0.263 0.000 0.895 321 G HN 0.667 nan 8.290 nan 0.000 0.557 322 V N -2.343 117.637 119.914 0.110 0.000 3.380 322 V HA 0.145 4.278 4.120 0.023 0.000 0.268 322 V C 1.584 177.624 176.094 -0.091 0.000 1.168 322 V CA 1.156 63.440 62.300 -0.026 0.000 1.156 322 V CB -1.209 30.503 31.823 -0.186 0.000 0.785 322 V HN 0.571 nan 8.190 nan 0.000 0.487 323 Y N 1.533 121.918 120.300 0.141 0.000 2.523 323 Y HA 0.500 5.063 4.550 0.022 0.000 0.279 323 Y C 2.143 178.147 175.900 0.174 0.000 1.139 323 Y CA 0.570 58.772 58.100 0.169 0.000 1.296 323 Y CB 0.274 38.906 38.460 0.286 0.000 1.045 323 Y HN 0.420 nan 8.280 nan 0.000 0.538 324 G N -1.386 107.578 108.800 0.273 0.000 3.434 324 G HA2 0.022 3.996 3.960 0.023 0.000 0.197 324 G HA3 0.022 3.996 3.960 0.023 0.000 0.197 324 G C 1.293 176.244 174.900 0.083 0.000 1.559 324 G CA 0.249 45.459 45.100 0.182 0.000 0.852 324 G HN 0.041 nan 8.290 nan 0.000 0.682 325 S N 0.305 115.981 115.700 -0.039 0.000 2.382 325 S HA -0.032 4.452 4.470 0.023 0.000 0.228 325 S C 1.772 176.234 174.600 -0.229 0.000 1.027 325 S CA 1.138 59.238 58.200 -0.167 0.000 0.991 325 S CB -0.353 62.643 63.200 -0.339 0.000 0.823 325 S HN 0.315 nan 8.310 nan 0.000 0.469 326 F N 2.737 122.677 119.950 -0.017 0.000 2.816 326 F HA 0.104 4.645 4.527 0.023 0.000 0.302 326 F C 1.645 177.411 175.800 -0.057 0.000 1.178 326 F CA -0.099 57.857 58.000 -0.074 0.000 1.421 326 F CB -1.298 37.605 39.000 -0.163 0.000 1.114 326 F HN 0.324 nan 8.300 nan 0.000 0.573 327 N N 0.296 119.062 118.700 0.110 0.000 2.334 327 N HA -0.256 4.498 4.740 0.023 0.000 0.187 327 N C 1.760 177.307 175.510 0.061 0.000 1.016 327 N CA 1.498 54.594 53.050 0.078 0.000 0.879 327 N CB -1.063 37.552 38.487 0.214 0.000 0.965 327 N HN 0.407 nan 8.380 nan 0.000 0.438 328 C N 0.301 119.659 119.300 0.096 0.000 2.419 328 C HA 0.023 4.496 4.460 0.023 0.000 0.281 328 C C 2.533 177.501 174.990 -0.036 0.000 1.336 328 C CA -0.006 59.053 59.018 0.068 0.000 1.770 328 C CB -1.834 25.967 27.740 0.102 0.000 1.929 328 C HN 0.725 nan 8.230 nan 0.000 0.509 329 I N -1.023 119.523 120.570 -0.039 0.000 2.700 329 I HA -0.049 4.135 4.170 0.023 0.000 0.261 329 I C 2.098 178.096 176.117 -0.198 0.000 1.219 329 I CA 1.467 62.704 61.300 -0.106 0.000 1.463 329 I CB -0.295 37.651 38.000 -0.090 0.000 1.092 329 I HN 0.226 nan 8.210 nan 0.000 0.452 330 L N -0.152 120.910 121.223 -0.269 0.000 2.194 330 L HA 0.072 4.425 4.340 0.023 0.000 0.197 330 L C 2.412 178.969 176.870 -0.522 0.000 1.106 330 L CA 1.508 56.094 54.840 -0.424 0.000 0.785 330 L CB -1.088 40.618 42.059 -0.589 0.000 0.960 330 L HN 0.036 nan 8.230 nan 0.000 0.465 331 Y N -0.465 119.668 120.300 -0.279 0.000 2.181 331 Y HA -0.212 4.351 4.550 0.022 0.000 0.288 331 Y C 2.187 177.856 175.900 -0.386 0.000 1.146 331 Y CA 1.591 59.518 58.100 -0.288 0.000 1.164 331 Y CB -0.420 37.950 38.460 -0.151 0.000 0.982 331 Y HN 0.252 nan 8.280 nan 0.000 0.515 332 D N -2.269 118.039 120.400 -0.153 0.000 2.369 332 D HA 0.029 4.683 4.640 0.023 0.000 0.211 332 D C -0.580 175.653 176.300 -0.110 0.000 1.077 332 D CA 0.172 54.082 54.000 -0.150 0.000 0.842 332 D CB -0.265 40.499 40.800 -0.060 0.000 0.947 332 D HN 0.356 nan 8.370 nan 0.000 0.509 333 H N -1.350 117.670 119.070 -0.083 0.000 2.750 333 H HA -0.153 4.417 4.556 0.023 0.000 0.327 333 H C -0.272 174.906 175.328 -0.251 0.000 1.199 333 H CA 0.249 56.201 56.048 -0.159 0.000 1.149 333 H CB -1.621 28.070 29.762 -0.118 0.000 1.543 333 H HN 0.189 nan 8.280 nan 0.000 0.427 334 A N 1.352 124.084 122.820 -0.146 0.000 2.304 334 A HA 0.557 4.891 4.320 0.023 0.000 0.301 334 A C -0.038 177.374 177.584 -0.287 0.000 1.132 334 A CA -0.636 51.325 52.037 -0.126 0.000 0.819 334 A CB 0.778 19.795 19.000 0.029 0.000 1.094 334 A HN 0.513 nan 8.150 nan 0.000 0.492 335 H N 1.181 120.313 119.070 0.103 0.000 2.505 335 H HA 0.455 5.024 4.556 0.023 0.000 0.338 335 H C -0.499 174.903 175.328 0.123 0.000 1.057 335 H CA -0.412 55.686 56.048 0.084 0.000 1.202 335 H CB 1.379 31.180 29.762 0.065 0.000 1.466 335 H HN 0.547 nan 8.280 nan 0.000 0.499 336 V N 0.830 120.883 119.914 0.232 0.000 2.483 336 V HA 0.471 4.604 4.120 0.023 0.000 0.295 336 V C -0.028 176.239 176.094 0.287 0.000 1.035 336 V CA -1.030 61.452 62.300 0.304 0.000 0.896 336 V CB 1.853 33.883 31.823 0.345 0.000 0.986 336 V HN 0.583 nan 8.190 nan 0.000 0.447 337 K N 5.000 125.554 120.400 0.257 0.000 2.316 337 K HA 0.459 4.793 4.320 0.023 0.000 0.267 337 K C -2.814 173.732 176.600 -0.090 0.000 1.025 337 K CA -1.596 54.753 56.287 0.103 0.000 0.896 337 K CB 1.747 34.286 32.500 0.066 0.000 1.124 337 K HN 0.542 nan 8.250 nan 0.000 0.451 338 P HA 0.110 nan 4.420 nan 0.000 0.271 338 P C -0.824 176.250 177.300 -0.376 0.000 1.226 338 P CA -0.434 62.310 63.100 -0.593 0.000 0.765 338 P CB 0.636 32.201 31.700 -0.224 0.000 0.835 339 L N 4.021 124.968 121.223 -0.460 0.000 2.334 339 L HA 0.363 4.717 4.340 0.023 0.000 0.273 339 L C 0.107 176.867 176.870 -0.185 0.000 1.013 339 L CA -0.842 53.860 54.840 -0.230 0.000 0.816 339 L CB 1.275 43.230 42.059 -0.173 0.000 1.278 339 L HN 0.222 nan 8.230 nan 0.000 0.431 340 L N 2.784 123.943 121.223 -0.106 0.000 2.331 340 L HA 0.155 4.509 4.340 0.023 0.000 0.278 340 L C 1.105 177.948 176.870 -0.046 0.000 1.106 340 L CA -0.097 54.697 54.840 -0.078 0.000 0.824 340 L CB 1.198 43.218 42.059 -0.064 0.000 1.142 340 L HN 0.820 nan 8.230 nan 0.000 0.443 341 Q N 3.502 123.293 119.800 -0.016 0.000 2.096 341 Q HA -0.113 4.241 4.340 0.023 0.000 0.197 341 Q C 0.512 176.515 176.000 0.005 0.000 0.964 341 Q CA 1.294 57.097 55.803 0.001 0.000 0.838 341 Q CB 0.017 28.779 28.738 0.040 0.000 0.906 341 Q HN 0.355 nan 8.270 nan 0.000 0.444 342 K N 1.864 122.273 120.400 0.015 0.000 2.363 342 K HA 0.128 4.461 4.320 0.023 0.000 0.289 342 K C -0.751 175.849 176.600 -0.001 0.000 1.063 342 K CA -0.140 56.155 56.287 0.013 0.000 0.967 342 K CB 0.387 32.899 32.500 0.020 0.000 0.987 342 K HN 0.196 nan 8.250 nan 0.000 0.473 343 R N 5.156 125.657 120.500 0.002 0.000 2.485 343 R HA -0.035 4.318 4.340 0.023 0.000 0.304 343 R C -1.798 174.505 176.300 0.005 0.000 0.934 343 R CA -0.810 55.292 56.100 0.003 0.000 1.102 343 R CB -0.337 29.966 30.300 0.005 0.000 0.906 343 R HN 0.546 nan 8.270 nan 0.000 0.407 344 P HA 0.091 nan 4.420 nan 0.000 0.274 344 P C -0.785 176.527 177.300 0.021 0.000 1.231 344 P CA -0.300 62.804 63.100 0.007 0.000 0.790 344 P CB 0.780 32.498 31.700 0.030 0.000 0.951 345 K N 2.126 122.537 120.400 0.019 0.000 2.219 345 K HA 0.181 4.515 4.320 0.023 0.000 0.258 345 K C -1.429 175.199 176.600 0.047 0.000 1.008 345 K CA -1.208 55.096 56.287 0.029 0.000 0.928 345 K CB -0.161 32.355 32.500 0.027 0.000 0.983 345 K HN 0.379 nan 8.250 nan 0.000 0.484 346 P HA -0.008 nan 4.420 nan 0.000 0.269 346 P C -1.298 176.033 177.300 0.052 0.000 1.461 346 P CA 0.573 63.698 63.100 0.042 0.000 0.809 346 P CB -0.285 31.433 31.700 0.029 0.000 1.503 347 D N -1.039 119.407 120.400 0.077 0.000 3.703 347 D HA -0.041 4.613 4.640 0.023 0.000 0.140 347 D C -0.247 176.107 176.300 0.091 0.000 1.008 347 D CA -0.142 53.911 54.000 0.089 0.000 1.610 347 D CB -0.567 40.265 40.800 0.053 0.000 4.109 347 D HN -0.028 nan 8.370 nan 0.000 0.782 348 E N 1.959 122.238 120.200 0.131 0.000 2.673 348 E HA 0.096 4.459 4.350 0.023 0.000 0.215 348 E C -0.773 175.867 176.600 0.068 0.000 0.935 348 E CA -0.229 56.219 56.400 0.081 0.000 1.341 348 E CB 0.372 30.087 29.700 0.026 0.000 1.277 348 E HN 0.368 nan 8.360 nan 0.000 0.667 349 K N 0.528 120.994 120.400 0.111 0.000 6.074 349 K HA -0.153 4.180 4.320 0.023 0.000 0.850 349 K C -2.032 174.503 176.600 -0.109 0.000 2.043 349 K CA 0.315 56.591 56.287 -0.017 0.000 1.609 349 K CB -1.492 30.960 32.500 -0.079 0.000 2.376 349 K HN 0.073 nan 8.250 nan 0.000 0.262 350 Y N 3.412 123.545 120.300 -0.278 0.000 2.432 350 Y HA 0.645 5.209 4.550 0.023 0.000 0.322 350 Y C 0.422 176.103 175.900 -0.365 0.000 1.246 350 Y CA -0.090 57.912 58.100 -0.163 0.000 1.268 350 Y CB 1.053 39.481 38.460 -0.053 0.000 1.276 350 Y HN 0.437 nan 8.280 nan 0.000 0.499 351 Y N -1.469 118.995 120.300 0.274 0.000 2.605 351 Y HA 0.387 4.951 4.550 0.023 0.000 0.343 351 Y C -0.125 175.914 175.900 0.232 0.000 1.036 351 Y CA -1.371 56.886 58.100 0.262 0.000 1.065 351 Y CB 1.665 40.362 38.460 0.395 0.000 1.288 351 Y HN 0.340 nan 8.280 nan 0.000 0.481 352 S N 1.267 117.164 115.700 0.329 0.000 2.481 352 S HA 0.501 4.985 4.470 0.023 0.000 0.276 352 S C -0.766 173.966 174.600 0.219 0.000 1.247 352 S CA -0.217 58.109 58.200 0.209 0.000 1.053 352 S CB -0.241 63.034 63.200 0.125 0.000 0.925 352 S HN 0.567 nan 8.310 nan 0.000 0.491 353 S N 2.828 118.650 115.700 0.204 0.000 2.548 353 S HA 0.673 5.156 4.470 0.023 0.000 0.286 353 S C -0.781 173.885 174.600 0.111 0.000 1.098 353 S CA -0.943 57.364 58.200 0.178 0.000 0.930 353 S CB 1.964 65.364 63.200 0.332 0.000 1.070 353 S HN 0.774 nan 8.310 nan 0.000 0.480 354 S N 1.104 116.847 115.700 0.071 0.000 2.568 354 S HA 0.817 5.301 4.470 0.023 0.000 0.302 354 S C -0.733 173.858 174.600 -0.015 0.000 1.082 354 S CA -0.766 57.422 58.200 -0.020 0.000 1.009 354 S CB 0.724 63.901 63.200 -0.037 0.000 1.069 354 S HN 0.549 nan 8.310 nan 0.000 0.500 355 I N 1.386 121.831 120.570 -0.208 0.000 2.441 355 I HA 0.573 4.757 4.170 0.023 0.000 0.295 355 I C -1.226 174.621 176.117 -0.450 0.000 0.994 355 I CA -0.377 60.840 61.300 -0.139 0.000 1.144 355 I CB 1.395 39.373 38.000 -0.037 0.000 1.314 355 I HN 0.694 nan 8.210 nan 0.000 0.445 356 W N 3.175 124.315 121.300 -0.267 0.000 2.950 356 W HA 0.706 5.379 4.660 0.021 0.000 0.340 356 W C 0.413 176.852 176.519 -0.134 0.000 1.139 356 W CA -0.682 56.503 57.345 -0.267 0.000 1.188 356 W CB 1.188 30.356 29.460 -0.486 0.000 1.426 356 W HN 0.497 nan 8.180 nan 0.000 0.531 357 G N 1.281 110.181 108.800 0.167 0.000 2.621 357 G HA2 0.430 4.404 3.960 0.023 0.000 0.271 357 G HA3 0.430 4.404 3.960 0.023 0.000 0.271 357 G C -1.938 173.046 174.900 0.141 0.000 1.236 357 G CA -0.956 44.221 45.100 0.129 0.000 0.958 357 G HN 0.317 nan 8.290 nan 0.000 0.512 358 P HA 0.112 nan 4.420 nan 0.000 0.261 358 P C 0.897 178.049 177.300 -0.245 0.000 1.268 358 P CA 0.240 63.174 63.100 -0.277 0.000 0.833 358 P CB 0.159 31.374 31.700 -0.808 0.000 1.231 359 T N -2.851 111.701 114.554 -0.002 0.000 2.849 359 T HA 0.142 4.505 4.350 0.023 0.000 0.284 359 T C 1.066 175.890 174.700 0.207 0.000 1.004 359 T CA -0.386 61.829 62.100 0.191 0.000 1.021 359 T CB 0.294 69.362 68.868 0.332 0.000 1.013 359 T HN -0.053 nan 8.240 nan 0.000 0.527 360 C N 1.057 120.462 119.300 0.176 0.000 2.525 360 C HA 0.132 4.605 4.460 0.023 0.000 0.279 360 C C 1.091 176.199 174.990 0.197 0.000 1.437 360 C CA -0.164 58.938 59.018 0.140 0.000 1.704 360 C CB -1.851 25.936 27.740 0.079 0.000 1.672 360 C HN 0.820 nan 8.230 nan 0.000 0.582 361 D N 0.595 121.179 120.400 0.307 0.000 2.374 361 D HA 0.118 4.772 4.640 0.023 0.000 0.240 361 D C 1.416 177.885 176.300 0.282 0.000 1.229 361 D CA 0.335 54.548 54.000 0.355 0.000 0.895 361 D CB 1.149 42.307 40.800 0.597 0.000 1.046 361 D HN 0.403 nan 8.370 nan 0.000 0.498 362 G N 3.542 112.467 108.800 0.208 0.000 2.606 362 G HA2 -0.272 3.701 3.960 0.023 0.000 0.223 362 G HA3 -0.272 3.701 3.960 0.023 0.000 0.223 362 G C 1.470 176.529 174.900 0.266 0.000 1.106 362 G CA 0.495 45.711 45.100 0.194 0.000 0.745 362 G HN 0.571 nan 8.290 nan 0.000 0.597 363 L N 0.290 121.637 121.223 0.207 0.000 2.599 363 L HA 0.174 4.528 4.340 0.023 0.000 0.230 363 L C 0.717 177.651 176.870 0.107 0.000 1.141 363 L CA -0.077 54.847 54.840 0.139 0.000 0.877 363 L CB 0.233 42.324 42.059 0.053 0.000 1.009 363 L HN 0.020 nan 8.230 nan 0.000 0.447 364 D N 1.519 122.045 120.400 0.211 0.000 2.508 364 D HA 0.059 4.713 4.640 0.023 0.000 0.224 364 D C -0.048 176.347 176.300 0.158 0.000 1.171 364 D CA 0.062 54.160 54.000 0.164 0.000 1.006 364 D CB 0.137 41.115 40.800 0.297 0.000 1.073 364 D HN 0.007 nan 8.370 nan 0.000 0.513 365 R N 3.735 124.174 120.500 -0.102 0.000 2.532 365 R HA 0.378 4.732 4.340 0.023 0.000 0.297 365 R C 0.516 176.543 176.300 -0.455 0.000 0.984 365 R CA -0.624 55.196 56.100 -0.466 0.000 0.884 365 R CB 0.972 30.798 30.300 -0.791 0.000 1.182 365 R HN 0.259 nan 8.270 nan 0.000 0.442 366 I N 2.588 122.842 120.570 -0.528 0.000 2.499 366 I HA 0.071 4.254 4.170 0.023 0.000 0.243 366 I C 0.116 175.972 176.117 -0.435 0.000 1.085 366 I CA 0.431 61.398 61.300 -0.555 0.000 1.422 366 I CB 0.447 37.951 38.000 -0.827 0.000 1.165 366 I HN 0.225 nan 8.210 nan 0.000 0.440 367 V N 1.423 121.099 119.914 -0.397 0.000 2.417 367 V HA 0.128 4.262 4.120 0.023 0.000 0.291 367 V C 0.879 176.774 176.094 -0.331 0.000 1.024 367 V CA -0.382 61.767 62.300 -0.253 0.000 0.861 367 V CB 1.685 33.443 31.823 -0.110 0.000 0.985 367 V HN 0.254 nan 8.190 nan 0.000 0.436 368 E N 3.998 124.047 120.200 -0.251 0.000 2.076 368 E HA 0.039 4.403 4.350 0.023 0.000 0.190 368 E C 0.908 177.419 176.600 -0.149 0.000 0.979 368 E CA 0.583 56.828 56.400 -0.258 0.000 0.807 368 E CB 0.426 30.023 29.700 -0.172 0.000 0.761 368 E HN 0.537 nan 8.360 nan 0.000 0.454 369 R N -0.352 120.100 120.500 -0.080 0.000 2.604 369 R HA 0.341 4.695 4.340 0.023 0.000 0.270 369 R C -1.418 174.887 176.300 0.009 0.000 1.052 369 R CA -0.347 55.741 56.100 -0.020 0.000 0.902 369 R CB 1.559 31.857 30.300 -0.004 0.000 1.233 369 R HN 0.339 nan 8.270 nan 0.000 0.455 370 C N -0.586 118.745 119.300 0.052 0.000 3.293 370 C HA 0.644 5.118 4.460 0.023 0.000 0.362 370 C C -1.583 173.486 174.990 0.132 0.000 1.539 370 C CA -0.906 58.159 59.018 0.078 0.000 1.201 370 C CB 1.858 29.643 27.740 0.075 0.000 1.770 370 C HN 0.711 nan 8.230 nan 0.000 0.440 371 D N 1.405 121.902 120.400 0.162 0.000 2.481 371 D HA 0.728 5.381 4.640 0.023 0.000 0.246 371 D C -1.094 175.441 176.300 0.391 0.000 1.109 371 D CA 0.226 54.385 54.000 0.266 0.000 0.845 371 D CB 1.670 42.591 40.800 0.201 0.000 1.160 371 D HN 0.577 nan 8.370 nan 0.000 0.534 372 L N 2.554 123.966 121.223 0.315 0.000 2.472 372 L HA 0.352 4.706 4.340 0.023 0.000 0.260 372 L C -2.554 174.248 176.870 -0.113 0.000 0.963 372 L CA -2.041 52.831 54.840 0.052 0.000 0.829 372 L CB 3.004 45.124 42.059 0.101 0.000 1.348 372 L HN -0.042 nan 8.230 nan 0.000 0.408 373 P HA -0.094 nan 4.420 nan 0.000 0.269 373 P C -0.778 176.444 177.300 -0.130 0.000 1.205 373 P CA -0.014 62.914 63.100 -0.286 0.000 0.780 373 P CB 0.429 31.921 31.700 -0.347 0.000 0.858 374 E N 2.702 122.853 120.200 -0.083 0.000 2.376 374 E HA 0.157 4.521 4.350 0.023 0.000 0.266 374 E C -0.646 175.590 176.600 -0.608 0.000 1.009 374 E CA 0.236 56.316 56.400 -0.535 0.000 0.902 374 E CB 0.126 29.558 29.700 -0.447 0.000 0.972 374 E HN 0.255 nan 8.360 nan 0.000 0.439 375 M N 2.892 121.984 119.600 -0.846 0.000 2.727 375 M HA 0.409 4.903 4.480 0.023 0.000 0.300 375 M C -0.642 175.059 176.300 -0.997 0.000 1.246 375 M CA -0.969 53.815 55.300 -0.861 0.000 0.835 375 M CB 2.289 34.408 32.600 -0.802 0.000 1.755 375 M HN 0.597 nan 8.290 nan 0.000 0.473 376 H N -0.283 118.674 119.070 -0.188 0.000 2.771 376 H HA 0.403 4.972 4.556 0.022 0.000 0.367 376 H C -1.024 174.260 175.328 -0.074 0.000 1.172 376 H CA -0.796 55.198 56.048 -0.091 0.000 1.186 376 H CB 1.892 31.618 29.762 -0.060 0.000 1.790 376 H HN 0.309 nan 8.280 nan 0.000 0.556 377 V N 1.714 121.685 119.914 0.095 0.000 2.425 377 V HA 0.215 4.348 4.120 0.023 0.000 0.276 377 V C 1.224 177.316 176.094 -0.003 0.000 1.017 377 V CA 1.799 64.117 62.300 0.030 0.000 1.062 377 V CB 0.202 32.051 31.823 0.044 0.000 0.997 377 V HN 1.184 nan 8.190 nan 0.000 0.476 378 G N 4.265 113.017 108.800 -0.079 0.000 2.545 378 G HA2 -0.148 3.826 3.960 0.023 0.000 0.195 378 G HA3 -0.148 3.826 3.960 0.023 0.000 0.195 378 G C -0.041 174.772 174.900 -0.146 0.000 1.009 378 G CA -0.304 44.732 45.100 -0.106 0.000 0.703 378 G HN 0.602 nan 8.290 nan 0.000 0.479 379 D N 0.308 120.658 120.400 -0.085 0.000 2.399 379 D HA 0.460 5.114 4.640 0.023 0.000 0.241 379 D C -0.131 176.106 176.300 -0.104 0.000 1.133 379 D CA 0.370 54.351 54.000 -0.031 0.000 0.890 379 D CB 0.447 41.211 40.800 -0.061 0.000 1.201 379 D HN 0.310 nan 8.370 nan 0.000 0.432 380 W N 1.090 122.377 121.300 -0.022 0.000 2.606 380 W HA 0.487 5.155 4.660 0.012 0.000 0.332 380 W C 0.242 176.728 176.519 -0.055 0.000 1.052 380 W CA -0.700 56.636 57.345 -0.015 0.000 1.223 380 W CB 0.955 30.418 29.460 0.006 0.000 1.383 380 W HN -0.042 nan 8.180 nan 0.000 0.524 381 M N 3.031 122.760 119.600 0.215 0.000 2.528 381 M HA 0.517 5.011 4.480 0.023 0.000 0.321 381 M C -0.839 175.490 176.300 0.048 0.000 1.153 381 M CA -0.808 54.526 55.300 0.056 0.000 0.951 381 M CB 1.617 34.249 32.600 0.053 0.000 1.705 381 M HN 0.185 nan 8.290 nan 0.000 0.451 382 L N 2.303 123.425 121.223 -0.169 0.000 2.334 382 L HA 0.580 4.933 4.340 0.023 0.000 0.276 382 L C -1.471 175.151 176.870 -0.413 0.000 1.014 382 L CA -0.547 54.206 54.840 -0.145 0.000 0.815 382 L CB 1.553 43.549 42.059 -0.106 0.000 1.268 382 L HN 0.584 nan 8.230 nan 0.000 0.428 383 F N 0.968 120.940 119.950 0.037 0.000 2.434 383 F HA 0.353 4.892 4.527 0.021 0.000 0.355 383 F C 0.524 176.369 175.800 0.076 0.000 1.115 383 F CA -0.575 57.480 58.000 0.092 0.000 1.010 383 F CB 1.449 40.558 39.000 0.183 0.000 1.234 383 F HN 0.437 nan 8.300 nan 0.000 0.439 384 E N 1.467 121.768 120.200 0.169 0.000 2.342 384 E HA 0.176 4.540 4.350 0.023 0.000 0.257 384 E C -0.131 176.592 176.600 0.206 0.000 1.150 384 E CA -0.551 55.942 56.400 0.155 0.000 0.926 384 E CB 0.359 30.116 29.700 0.096 0.000 1.074 384 E HN 0.601 nan 8.360 nan 0.000 0.449 385 N N 0.722 119.535 118.700 0.187 0.000 2.714 385 N HA -0.198 4.556 4.740 0.023 0.000 0.252 385 N C -0.193 175.445 175.510 0.213 0.000 1.014 385 N CA -0.045 53.118 53.050 0.188 0.000 0.735 385 N CB -0.311 38.273 38.487 0.162 0.000 0.924 385 N HN 0.312 nan 8.380 nan 0.000 0.540 386 M N -0.781 118.977 119.600 0.263 0.000 2.560 386 M HA 0.162 4.655 4.480 0.023 0.000 0.297 386 M C 1.861 178.258 176.300 0.163 0.000 1.201 386 M CA 0.221 55.677 55.300 0.260 0.000 0.973 386 M CB 0.117 32.915 32.600 0.330 0.000 1.401 386 M HN 0.416 nan 8.290 nan 0.000 0.497 387 G N 0.733 109.565 108.800 0.054 0.000 2.394 387 G HA2 0.134 4.108 3.960 0.023 0.000 0.215 387 G HA3 0.134 4.108 3.960 0.023 0.000 0.215 387 G C 0.640 175.356 174.900 -0.307 0.000 1.165 387 G CA 0.388 45.286 45.100 -0.336 0.000 0.784 387 G HN 0.527 nan 8.290 nan 0.000 0.535 388 A N -0.803 121.972 122.820 -0.074 0.000 2.328 388 A HA 0.574 4.907 4.320 0.023 0.000 0.284 388 A C -0.100 177.523 177.584 0.065 0.000 1.160 388 A CA -0.660 51.351 52.037 -0.043 0.000 0.818 388 A CB -0.187 18.910 19.000 0.161 0.000 1.087 388 A HN 0.719 nan 8.150 nan 0.000 0.504 389 Y N 1.182 121.459 120.300 -0.038 0.000 3.108 389 Y HA -0.318 4.246 4.550 0.023 0.000 0.208 389 Y C 1.640 177.523 175.900 -0.028 0.000 1.245 389 Y CA 1.263 59.346 58.100 -0.027 0.000 1.171 389 Y CB -2.311 36.156 38.460 0.011 0.000 1.331 389 Y HN 0.962 nan 8.280 nan 0.000 0.534 390 T N -5.580 108.973 114.554 -0.001 0.000 3.311 390 T HA 0.073 4.436 4.350 0.023 0.000 0.239 390 T C 1.643 176.316 174.700 -0.045 0.000 0.976 390 T CA 0.555 62.650 62.100 -0.008 0.000 1.283 390 T CB -0.775 68.083 68.868 -0.016 0.000 1.113 390 T HN 0.421 nan 8.240 nan 0.000 0.392 391 V N 1.576 121.396 119.914 -0.157 0.000 2.515 391 V HA 0.275 4.409 4.120 0.023 0.000 0.250 391 V C 2.770 178.816 176.094 -0.080 0.000 1.058 391 V CA 1.581 63.801 62.300 -0.132 0.000 1.064 391 V CB -1.591 30.070 31.823 -0.270 0.000 0.675 391 V HN 0.634 nan 8.190 nan 0.000 0.461 392 A N 0.331 123.086 122.820 -0.109 0.000 2.067 392 A HA 0.427 4.760 4.320 0.023 0.000 0.219 392 A C 2.118 179.677 177.584 -0.042 0.000 1.158 392 A CA 1.530 53.514 52.037 -0.087 0.000 0.661 392 A CB -0.581 18.339 19.000 -0.134 0.000 0.801 392 A HN 1.208 nan 8.150 nan 0.000 0.452 393 A N -1.133 121.681 122.820 -0.010 0.000 2.564 393 A HA 0.684 5.018 4.320 0.023 0.000 0.279 393 A C 0.815 178.438 177.584 0.065 0.000 1.232 393 A CA 0.454 52.490 52.037 -0.002 0.000 0.950 393 A CB -0.526 18.451 19.000 -0.038 0.000 1.138 393 A HN 0.790 nan 8.150 nan 0.000 0.526 394 A N 0.939 123.801 122.820 0.070 0.000 2.363 394 A HA 0.622 4.955 4.320 0.023 0.000 0.270 394 A C 0.614 178.275 177.584 0.129 0.000 1.121 394 A CA 0.332 52.440 52.037 0.117 0.000 0.800 394 A CB 0.161 19.221 19.000 0.100 0.000 1.052 394 A HN 1.048 nan 8.150 nan 0.000 0.493 395 S N 0.447 116.261 115.700 0.190 0.000 2.607 395 S HA 0.619 5.103 4.470 0.023 0.000 0.303 395 S C 0.200 174.937 174.600 0.228 0.000 1.086 395 S CA 0.097 58.411 58.200 0.191 0.000 0.995 395 S CB 1.389 64.718 63.200 0.216 0.000 1.084 395 S HN 1.191 nan 8.310 nan 0.000 0.507 396 T N -0.252 114.415 114.554 0.189 0.000 3.268 396 T HA 0.293 4.657 4.350 0.023 0.000 0.244 396 T C -0.127 174.679 174.700 0.177 0.000 0.915 396 T CA -0.571 61.636 62.100 0.179 0.000 0.935 396 T CB -1.136 67.800 68.868 0.112 0.000 1.110 396 T HN 0.511 nan 8.240 nan 0.000 0.573 397 F N 2.676 122.650 119.950 0.039 0.000 2.629 397 F HA 0.147 4.688 4.527 0.024 0.000 0.369 397 F C 1.211 176.994 175.800 -0.027 0.000 1.125 397 F CA 0.129 58.070 58.000 -0.098 0.000 1.330 397 F CB -0.280 38.465 39.000 -0.425 0.000 1.071 397 F HN 0.611 nan 8.300 nan 0.000 0.595 398 N N 2.144 120.314 118.700 -0.883 0.000 2.936 398 N HA -0.208 4.546 4.740 0.023 0.000 0.236 398 N C 0.709 175.955 175.510 -0.439 0.000 0.930 398 N CA 1.159 53.789 53.050 -0.699 0.000 0.966 398 N CB -1.345 36.872 38.487 -0.450 0.000 1.090 398 N HN 1.435 nan 8.380 nan 0.000 0.592 399 G N -1.824 106.798 108.800 -0.297 0.000 2.143 399 G HA2 -0.310 3.664 3.960 0.023 0.000 0.249 399 G HA3 -0.310 3.664 3.960 0.023 0.000 0.249 399 G C 0.013 174.717 174.900 -0.327 0.000 0.981 399 G CA 0.189 45.115 45.100 -0.289 0.000 0.665 399 G HN 0.367 nan 8.290 nan 0.000 0.528 400 F N 1.353 121.292 119.950 -0.019 0.000 2.410 400 F HA 0.488 5.027 4.527 0.020 0.000 0.348 400 F C 0.998 176.834 175.800 0.060 0.000 1.106 400 F CA -0.621 57.398 58.000 0.031 0.000 1.163 400 F CB 1.010 40.044 39.000 0.057 0.000 1.129 400 F HN -0.022 nan 8.300 nan 0.000 0.516 401 Q N 2.975 122.919 119.800 0.240 0.000 2.340 401 Q HA 0.234 4.588 4.340 0.023 0.000 0.249 401 Q C 0.050 176.159 176.000 0.181 0.000 0.957 401 Q CA -0.329 55.574 55.803 0.167 0.000 0.882 401 Q CB 0.719 29.535 28.738 0.130 0.000 1.235 401 Q HN 0.566 nan 8.270 nan 0.000 0.439 402 R N 2.299 122.887 120.500 0.146 0.000 2.522 402 R HA 0.114 4.468 4.340 0.023 0.000 0.284 402 R C -1.935 174.463 176.300 0.163 0.000 1.032 402 R CA -1.202 54.986 56.100 0.147 0.000 1.049 402 R CB -0.279 30.088 30.300 0.112 0.000 0.956 402 R HN 0.326 nan 8.270 nan 0.000 0.422 403 P HA -0.067 nan 4.420 nan 0.000 0.266 403 P C -0.282 177.153 177.300 0.225 0.000 1.195 403 P CA 0.062 63.304 63.100 0.237 0.000 0.768 403 P CB 0.625 32.488 31.700 0.271 0.000 0.838 404 T N 3.067 117.727 114.554 0.177 0.000 2.916 404 T HA 0.242 4.606 4.350 0.023 0.000 0.303 404 T C 0.009 174.681 174.700 -0.046 0.000 1.025 404 T CA -0.246 61.862 62.100 0.014 0.000 1.142 404 T CB -0.532 68.288 68.868 -0.079 0.000 0.947 404 T HN 0.141 nan 8.240 nan 0.000 0.544 405 I N 5.539 126.000 120.570 -0.182 0.000 2.339 405 I HA 0.282 4.466 4.170 0.023 0.000 0.290 405 I C -0.857 174.961 176.117 -0.500 0.000 0.994 405 I CA -0.975 60.170 61.300 -0.257 0.000 1.191 405 I CB 0.996 38.806 38.000 -0.317 0.000 1.343 405 I HN 0.640 nan 8.210 nan 0.000 0.458 406 Y N 5.819 126.020 120.300 -0.166 0.000 2.385 406 Y HA 0.363 4.918 4.550 0.008 0.000 0.341 406 Y C -0.308 175.433 175.900 -0.266 0.000 0.965 406 Y CA -0.591 57.429 58.100 -0.134 0.000 1.180 406 Y CB 0.384 38.809 38.460 -0.058 0.000 1.139 406 Y HN 0.367 nan 8.280 nan 0.000 0.502 407 Y N 2.710 123.084 120.300 0.124 0.000 2.319 407 Y HA 0.457 5.020 4.550 0.021 0.000 0.328 407 Y C 0.307 176.275 175.900 0.113 0.000 1.133 407 Y CA -0.692 57.443 58.100 0.059 0.000 1.265 407 Y CB 0.903 39.407 38.460 0.073 0.000 1.218 407 Y HN 0.374 nan 8.280 nan 0.000 0.508 408 V N 1.914 121.969 119.914 0.235 0.000 2.925 408 V HA 0.688 4.822 4.120 0.023 0.000 0.311 408 V C -0.821 175.417 176.094 0.240 0.000 1.104 408 V CA -1.158 61.270 62.300 0.213 0.000 0.954 408 V CB 2.269 34.180 31.823 0.146 0.000 1.022 408 V HN 0.851 nan 8.190 nan 0.000 0.427 409 M N 3.705 123.492 119.600 0.312 0.000 2.277 409 M HA 0.515 5.009 4.480 0.023 0.000 0.282 409 M C -0.057 176.442 176.300 0.331 0.000 1.074 409 M CA -0.238 55.266 55.300 0.341 0.000 0.954 409 M CB 2.453 35.330 32.600 0.461 0.000 1.672 409 M HN 1.169 nan 8.290 nan 0.000 0.471 410 S N 2.555 118.384 115.700 0.215 0.000 2.589 410 S HA 0.329 4.813 4.470 0.023 0.000 0.265 410 S C 1.137 175.786 174.600 0.081 0.000 1.342 410 S CA -0.047 58.243 58.200 0.149 0.000 1.005 410 S CB 0.945 64.219 63.200 0.124 0.000 0.909 410 S HN 0.927 nan 8.310 nan 0.000 0.555 411 G N 1.869 110.680 108.800 0.019 0.000 2.545 411 G HA2 -0.146 3.827 3.960 0.023 0.000 0.217 411 G HA3 -0.146 3.827 3.960 0.023 0.000 0.217 411 G C -0.778 174.153 174.900 0.051 0.000 1.218 411 G CA 1.023 46.101 45.100 -0.037 0.000 0.787 411 G HN 0.665 nan 8.290 nan 0.000 0.571 412 P HA -0.249 nan 4.420 nan 0.000 0.214 412 P C 2.247 179.605 177.300 0.097 0.000 1.172 412 P CA 2.599 65.742 63.100 0.071 0.000 0.925 412 P CB -0.563 31.176 31.700 0.064 0.000 0.793 413 A N -0.923 121.966 122.820 0.115 0.000 1.894 413 A HA -0.249 4.085 4.320 0.023 0.000 0.220 413 A C 2.308 179.985 177.584 0.155 0.000 1.237 413 A CA 2.574 54.694 52.037 0.138 0.000 0.660 413 A CB -2.144 16.954 19.000 0.162 0.000 0.835 413 A HN 0.326 nan 8.150 nan 0.000 0.461 414 W N 0.154 121.446 121.300 -0.013 0.000 2.363 414 W HA -0.192 4.482 4.660 0.023 0.000 0.296 414 W C 2.370 178.872 176.519 -0.029 0.000 1.212 414 W CA 2.007 59.330 57.345 -0.036 0.000 1.260 414 W CB -0.156 29.185 29.460 -0.198 0.000 1.131 414 W HN 0.378 nan 8.180 nan 0.000 0.530 415 Q N 0.305 120.208 119.800 0.172 0.000 1.985 415 Q HA -0.257 4.097 4.340 0.023 0.000 0.207 415 Q C 2.253 178.183 176.000 -0.117 0.000 0.996 415 Q CA 2.139 57.966 55.803 0.041 0.000 0.851 415 Q CB -1.541 27.233 28.738 0.059 0.000 0.921 415 Q HN 0.417 nan 8.270 nan 0.000 0.418 416 L N -0.107 121.080 121.223 -0.061 0.000 2.127 416 L HA -0.125 4.229 4.340 0.023 0.000 0.211 416 L C 2.118 178.959 176.870 -0.050 0.000 1.089 416 L CA 1.835 56.626 54.840 -0.083 0.000 0.757 416 L CB -0.487 41.593 42.059 0.035 0.000 0.899 416 L HN 0.362 nan 8.230 nan 0.000 0.434 417 M N -1.721 117.845 119.600 -0.056 0.000 2.374 417 M HA -0.197 4.297 4.480 0.023 0.000 0.264 417 M C 1.998 178.170 176.300 -0.215 0.000 1.067 417 M CA 1.319 56.589 55.300 -0.050 0.000 1.103 417 M CB 0.046 32.544 32.600 -0.170 0.000 1.402 417 M HN 0.362 nan 8.290 nan 0.000 0.444 418 Q N 0.578 120.125 119.800 -0.421 0.000 2.049 418 Q HA -0.135 4.218 4.340 0.023 0.000 0.198 418 Q C 1.908 177.770 176.000 -0.230 0.000 0.971 418 Q CA 1.813 57.371 55.803 -0.409 0.000 0.833 418 Q CB -0.300 28.131 28.738 -0.512 0.000 0.896 418 Q HN 0.589 nan 8.270 nan 0.000 0.434 419 Q N -0.779 118.863 119.800 -0.263 0.000 2.112 419 Q HA -0.195 4.158 4.340 0.023 0.000 0.206 419 Q C 1.883 177.733 176.000 -0.249 0.000 0.987 419 Q CA 1.487 57.116 55.803 -0.290 0.000 0.858 419 Q CB -0.347 28.135 28.738 -0.426 0.000 0.905 419 Q HN 0.417 nan 8.270 nan 0.000 0.420 420 F N 0.930 120.828 119.950 -0.086 0.000 2.325 420 F HA -0.096 4.444 4.527 0.022 0.000 0.299 420 F C 1.621 177.371 175.800 -0.083 0.000 1.090 420 F CA -0.151 57.806 58.000 -0.071 0.000 1.392 420 F CB -0.124 38.821 39.000 -0.092 0.000 1.053 420 F HN 0.074 nan 8.300 nan 0.000 0.521 421 Q N 0.000 119.833 119.800 0.055 0.000 2.315 421 Q HA 0.000 4.354 4.340 0.023 0.000 0.214 421 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 421 Q CB 0.000 28.707 28.738 -0.051 0.000 1.108 421 Q HN 0.000 nan 8.270 nan 0.000 0.481