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 1gk1_1_D DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRMGITNTV NGMVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGML DATA SEQUENCE EQYFDMITAD SFDDYEAALA RMQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LMSENDDLTL ERFMALQLSH DATA SEQUENCE RAVMADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRMILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAM IEFSTPVRAY GLMSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.299 174.600 -0.501 0.000 1.055 1 S CA 0.000 57.838 58.200 -0.603 0.000 1.107 1 S CB 0.000 63.078 63.200 -0.203 0.000 0.593 2 N N 1.436 119.741 118.700 -0.658 0.000 2.362 2 N HA 0.813 5.560 4.740 0.012 0.000 0.299 2 N C -1.105 174.224 175.510 -0.302 0.000 1.170 2 N CA -0.684 52.060 53.050 -0.509 0.000 0.825 2 N CB 1.983 39.915 38.487 -0.924 0.000 1.299 2 N HN 0.778 nan 8.380 nan 0.000 0.502 3 S N -0.353 115.243 115.700 -0.173 0.000 2.584 3 S HA 0.575 5.052 4.470 0.012 0.000 0.280 3 S C -1.965 172.770 174.600 0.226 0.000 1.162 3 S CA -0.962 57.253 58.200 0.024 0.000 0.951 3 S CB 0.917 64.198 63.200 0.136 0.000 1.108 3 S HN 0.455 nan 8.310 nan 0.000 0.464 4 W N 1.229 122.666 121.300 0.229 0.000 2.915 4 W HA 0.823 5.489 4.660 0.011 0.000 0.337 4 W C -0.519 176.178 176.519 0.297 0.000 1.102 4 W CA -1.154 56.361 57.345 0.284 0.000 1.224 4 W CB 2.249 31.899 29.460 0.317 0.000 1.416 4 W HN 1.159 nan 8.180 nan 0.000 0.503 5 A N 2.305 125.413 122.820 0.479 0.000 2.402 5 A HA 0.745 5.072 4.320 0.012 0.000 0.291 5 A C -1.754 175.953 177.584 0.204 0.000 1.051 5 A CA -0.528 51.675 52.037 0.277 0.000 0.716 5 A CB 1.216 20.348 19.000 0.219 0.000 1.223 5 A HN 0.259 nan 8.150 nan 0.000 0.425 6 V N 2.059 122.012 119.914 0.066 0.000 2.495 6 V HA 0.705 4.832 4.120 0.012 0.000 0.298 6 V C 0.808 176.888 176.094 -0.024 0.000 1.031 6 V CA -0.296 62.013 62.300 0.014 0.000 0.871 6 V CB 1.482 33.231 31.823 -0.122 0.000 0.988 6 V HN 1.279 nan 8.190 nan 0.000 0.432 7 A N 6.113 128.934 122.820 0.002 0.000 2.332 7 A HA 0.567 4.894 4.320 0.012 0.000 0.258 7 A C -1.486 176.074 177.584 -0.039 0.000 1.087 7 A CA -1.079 50.944 52.037 -0.024 0.000 0.802 7 A CB 0.077 19.068 19.000 -0.015 0.000 1.042 7 A HN 0.695 nan 8.150 nan 0.000 0.489 8 P HA -0.144 nan 4.420 nan 0.000 0.216 8 P C 1.599 178.877 177.300 -0.037 0.000 1.153 8 P CA 2.031 65.106 63.100 -0.042 0.000 0.858 8 P CB 0.046 31.726 31.700 -0.034 0.000 0.789 9 G N -0.532 108.251 108.800 -0.028 0.000 2.501 9 G HA2 -0.259 3.708 3.960 0.012 0.000 0.220 9 G HA3 -0.259 3.708 3.960 0.012 0.000 0.220 9 G C 1.464 176.350 174.900 -0.023 0.000 1.114 9 G CA 0.598 45.684 45.100 -0.023 0.000 0.757 9 G HN 0.311 nan 8.290 nan 0.000 0.559 10 K N 0.209 120.593 120.400 -0.027 0.000 2.358 10 K HA 0.117 4.444 4.320 0.012 0.000 0.197 10 K C 0.710 177.275 176.600 -0.059 0.000 1.025 10 K CA 0.276 56.544 56.287 -0.031 0.000 1.104 10 K CB 0.314 32.807 32.500 -0.011 0.000 0.855 10 K HN 0.372 nan 8.250 nan 0.000 0.531 11 T N -4.012 110.503 114.554 -0.065 0.000 2.952 11 T HA 0.527 4.884 4.350 0.012 0.000 0.286 11 T C 1.078 175.741 174.700 -0.061 0.000 1.024 11 T CA -0.528 61.523 62.100 -0.081 0.000 1.029 11 T CB 1.865 70.672 68.868 -0.102 0.000 1.094 11 T HN -0.029 nan 8.240 nan 0.000 0.515 12 A N 1.404 124.186 122.820 -0.062 0.000 1.897 12 A HA 0.026 4.353 4.320 0.012 0.000 0.215 12 A C 2.052 179.610 177.584 -0.042 0.000 1.181 12 A CA 0.816 52.824 52.037 -0.048 0.000 0.620 12 A CB -0.733 18.239 19.000 -0.047 0.000 0.821 12 A HN 0.818 nan 8.150 nan 0.000 0.443 13 N N -0.977 117.695 118.700 -0.047 0.000 2.353 13 N HA 0.149 4.896 4.740 0.012 0.000 0.185 13 N C 1.048 176.537 175.510 -0.035 0.000 1.098 13 N CA 1.024 54.050 53.050 -0.038 0.000 0.872 13 N CB 0.492 38.956 38.487 -0.040 0.000 0.970 13 N HN 0.660 nan 8.380 nan 0.000 0.467 14 G N 0.826 109.602 108.800 -0.040 0.000 2.132 14 G HA2 -0.248 3.720 3.960 0.012 0.000 0.234 14 G HA3 -0.248 3.720 3.960 0.012 0.000 0.234 14 G C -0.421 174.461 174.900 -0.030 0.000 0.989 14 G CA -0.264 44.816 45.100 -0.033 0.000 0.676 14 G HN 0.423 nan 8.290 nan 0.000 0.522 15 N N 0.132 118.809 118.700 -0.039 0.000 2.370 15 N HA 0.705 5.452 4.740 0.012 0.000 0.303 15 N C 0.308 175.797 175.510 -0.036 0.000 1.103 15 N CA -0.161 52.877 53.050 -0.020 0.000 0.848 15 N CB 1.592 40.069 38.487 -0.016 0.000 1.235 15 N HN 0.549 nan 8.380 nan 0.000 0.496 16 A N 1.618 124.444 122.820 0.009 0.000 2.407 16 A HA 0.435 4.762 4.320 0.012 0.000 0.248 16 A C -0.461 177.129 177.584 0.010 0.000 1.082 16 A CA -0.028 52.006 52.037 -0.005 0.000 0.785 16 A CB -0.001 18.983 19.000 -0.028 0.000 1.020 16 A HN 0.607 nan 8.150 nan 0.000 0.489 17 L N 1.376 122.514 121.223 -0.140 0.000 2.362 17 L HA 0.678 5.025 4.340 0.012 0.000 0.271 17 L C -0.791 175.988 176.870 -0.151 0.000 1.002 17 L CA -0.771 53.856 54.840 -0.354 0.000 0.818 17 L CB 1.803 43.261 42.059 -1.003 0.000 1.298 17 L HN 0.681 nan 8.230 nan 0.000 0.420 18 L N 3.318 124.537 121.223 -0.007 0.000 2.422 18 L HA 0.674 5.021 4.340 0.012 0.000 0.264 18 L C -1.666 175.398 176.870 0.323 0.000 0.984 18 L CA -0.467 54.505 54.840 0.219 0.000 0.819 18 L CB 2.117 44.328 42.059 0.254 0.000 1.330 18 L HN 0.485 nan 8.230 nan 0.000 0.410 19 L N 3.788 125.248 121.223 0.394 0.000 2.349 19 L HA 0.586 4.933 4.340 0.012 0.000 0.278 19 L C -1.095 175.834 176.870 0.098 0.000 0.996 19 L CA 0.086 55.060 54.840 0.223 0.000 0.825 19 L CB 1.716 43.869 42.059 0.157 0.000 1.243 19 L HN 0.717 nan 8.230 nan 0.000 0.412 20 Q N 4.701 124.512 119.800 0.017 0.000 2.314 20 Q HA 0.375 4.722 4.340 0.012 0.000 0.259 20 Q C -0.635 175.251 176.000 -0.190 0.000 0.951 20 Q CA -0.076 55.773 55.803 0.075 0.000 0.909 20 Q CB 1.225 30.122 28.738 0.265 0.000 1.236 20 Q HN 0.719 nan 8.270 nan 0.000 0.444 21 N N 2.909 121.479 118.700 -0.218 0.000 2.673 21 N HA 0.171 4.918 4.740 0.012 0.000 0.265 21 N C -2.728 172.480 175.510 -0.504 0.000 1.709 21 N CA -1.294 51.513 53.050 -0.405 0.000 0.792 21 N CB 1.049 39.253 38.487 -0.472 0.000 1.286 21 N HN 0.334 nan 8.380 nan 0.000 0.506 22 P HA 0.086 nan 4.420 nan 0.000 0.276 22 P C -1.127 176.017 177.300 -0.261 0.000 1.230 22 P CA 0.441 63.317 63.100 -0.374 0.000 0.776 22 P CB 0.882 32.236 31.700 -0.577 0.000 0.888 23 H N 1.960 120.933 119.070 -0.162 0.000 2.511 23 H HA 0.555 5.118 4.556 0.012 0.000 0.328 23 H C -0.258 174.948 175.328 -0.204 0.000 1.044 23 H CA -0.839 55.036 56.048 -0.288 0.000 1.212 23 H CB 1.281 30.841 29.762 -0.336 0.000 1.428 23 H HN 0.258 nan 8.280 nan 0.000 0.483 24 L N 1.072 122.253 121.223 -0.070 0.000 2.600 24 L HA 0.253 4.600 4.340 0.012 0.000 0.257 24 L C -0.198 176.811 176.870 0.232 0.000 1.048 24 L CA -0.571 54.301 54.840 0.053 0.000 0.869 24 L CB 2.323 44.370 42.059 -0.021 0.000 1.482 24 L HN 0.557 nan 8.230 nan 0.000 0.408 25 S N 0.234 116.125 115.700 0.317 0.000 2.558 25 S HA -0.005 4.472 4.470 0.012 0.000 0.288 25 S C 0.058 174.950 174.600 0.487 0.000 1.318 25 S CA 0.365 58.802 58.200 0.395 0.000 1.056 25 S CB 0.170 63.585 63.200 0.358 0.000 0.853 25 S HN 0.455 nan 8.310 nan 0.000 0.505 26 W N 2.373 123.772 121.300 0.165 0.000 3.256 26 W HA 0.182 4.849 4.660 0.012 0.000 0.269 26 W C 2.234 178.769 176.519 0.028 0.000 1.310 26 W CA 0.495 57.950 57.345 0.185 0.000 1.673 26 W CB -0.798 28.797 29.460 0.224 0.000 1.115 26 W HN 0.950 nan 8.180 nan 0.000 0.686 27 T N -6.234 108.450 114.554 0.217 0.000 2.954 27 T HA 0.114 4.471 4.350 0.012 0.000 0.252 27 T C 0.821 175.496 174.700 -0.042 0.000 0.983 27 T CA 0.110 62.255 62.100 0.075 0.000 0.941 27 T CB -0.220 68.702 68.868 0.090 0.000 1.141 27 T HN -0.280 nan 8.240 nan 0.000 0.500 28 T N 4.510 119.031 114.554 -0.055 0.000 2.784 28 T HA 0.156 4.513 4.350 0.012 0.000 0.291 28 T C 1.040 175.519 174.700 -0.368 0.000 0.942 28 T CA 0.170 62.099 62.100 -0.286 0.000 1.161 28 T CB 0.931 69.563 68.868 -0.393 0.000 0.885 28 T HN 0.500 nan 8.240 nan 0.000 0.534 29 D N 3.382 123.554 120.400 -0.381 0.000 2.116 29 D HA -0.269 4.378 4.640 0.012 0.000 0.193 29 D C 1.619 177.778 176.300 -0.236 0.000 0.998 29 D CA 1.724 55.563 54.000 -0.269 0.000 0.836 29 D CB -0.725 39.969 40.800 -0.176 0.000 0.951 29 D HN 0.826 nan 8.370 nan 0.000 0.449 30 Y N -2.139 118.055 120.300 -0.178 0.000 2.632 30 Y HA 0.233 4.790 4.550 0.012 0.000 0.301 30 Y C 1.062 176.909 175.900 -0.088 0.000 1.172 30 Y CA -0.305 57.688 58.100 -0.178 0.000 1.328 30 Y CB -0.687 37.627 38.460 -0.245 0.000 1.016 30 Y HN -0.149 nan 8.280 nan 0.000 0.529 31 F N 0.371 120.215 119.950 -0.177 0.000 2.695 31 F HA 0.254 4.788 4.527 0.012 0.000 0.303 31 F C 0.542 176.132 175.800 -0.351 0.000 1.091 31 F CA -1.108 56.785 58.000 -0.179 0.000 1.300 31 F CB -0.509 38.416 39.000 -0.125 0.000 1.071 31 F HN -0.183 nan 8.300 nan 0.000 0.578 32 T N 1.374 115.860 114.554 -0.114 0.000 2.834 32 T HA 0.083 4.441 4.350 0.012 0.000 0.298 32 T C -0.489 174.137 174.700 -0.122 0.000 0.966 32 T CA 0.387 62.386 62.100 -0.169 0.000 1.141 32 T CB 0.133 68.882 68.868 -0.198 0.000 0.905 32 T HN -0.117 nan 8.240 nan 0.000 0.535 33 Y N 1.965 122.408 120.300 0.239 0.000 2.320 33 Y HA 0.469 5.026 4.550 0.012 0.000 0.324 33 Y C -0.121 175.904 175.900 0.209 0.000 1.190 33 Y CA -1.013 57.190 58.100 0.171 0.000 1.215 33 Y CB 0.812 39.318 38.460 0.078 0.000 1.221 33 Y HN 0.596 nan 8.280 nan 0.000 0.486 34 Y N 2.010 122.378 120.300 0.113 0.000 2.406 34 Y HA 0.335 4.892 4.550 0.012 0.000 0.340 34 Y C -0.729 175.062 175.900 -0.180 0.000 0.975 34 Y CA -1.521 56.570 58.100 -0.014 0.000 1.056 34 Y CB 1.375 39.819 38.460 -0.027 0.000 1.210 34 Y HN 0.681 nan 8.280 nan 0.000 0.448 35 E N 4.432 124.232 120.200 -0.667 0.000 2.227 35 E HA 0.740 5.097 4.350 0.012 0.000 0.282 35 E C -1.405 174.630 176.600 -0.942 0.000 1.015 35 E CA -0.403 55.518 56.400 -0.798 0.000 0.823 35 E CB 0.840 30.202 29.700 -0.564 0.000 1.081 35 E HN 0.814 nan 8.360 nan 0.000 0.396 36 A N 4.312 126.648 122.820 -0.807 0.000 2.602 36 A HA 0.428 4.755 4.320 0.012 0.000 0.290 36 A C -1.841 175.349 177.584 -0.657 0.000 1.114 36 A CA -0.623 51.036 52.037 -0.631 0.000 0.683 36 A CB 1.538 20.288 19.000 -0.417 0.000 1.281 36 A HN 0.816 nan 8.150 nan 0.000 0.416 37 H N 0.274 119.045 119.070 -0.498 0.000 2.782 37 H HA 0.621 5.184 4.556 0.012 0.000 0.347 37 H C -2.088 173.172 175.328 -0.114 0.000 1.038 37 H CA -0.713 55.120 56.048 -0.358 0.000 1.255 37 H CB 1.014 30.661 29.762 -0.192 0.000 1.623 37 H HN 0.433 nan 8.280 nan 0.000 0.525 38 L N 5.898 127.159 121.223 0.064 0.000 2.333 38 L HA 0.382 4.729 4.340 0.012 0.000 0.280 38 L C -0.866 175.996 176.870 -0.013 0.000 1.004 38 L CA -0.633 54.222 54.840 0.025 0.000 0.820 38 L CB 1.762 43.941 42.059 0.199 0.000 1.247 38 L HN 0.390 nan 8.230 nan 0.000 0.416 39 V N 2.230 122.048 119.914 -0.160 0.000 2.588 39 V HA 0.766 4.893 4.120 0.012 0.000 0.304 39 V C -0.086 175.863 176.094 -0.242 0.000 1.042 39 V CA -0.369 61.822 62.300 -0.181 0.000 0.877 39 V CB 2.056 33.748 31.823 -0.220 0.000 0.996 39 V HN 0.790 nan 8.190 nan 0.000 0.425 40 T N 4.675 119.001 114.554 -0.380 0.000 2.865 40 T HA 0.467 4.824 4.350 0.012 0.000 0.294 40 T C -2.129 172.391 174.700 -0.300 0.000 1.119 40 T CA -1.103 60.724 62.100 -0.455 0.000 1.007 40 T CB 2.294 70.554 68.868 -1.013 0.000 1.225 40 T HN 0.425 nan 8.240 nan 0.000 0.515 41 P HA 0.041 nan 4.420 nan 0.000 0.220 41 P C 0.544 177.800 177.300 -0.074 0.000 1.148 41 P CA 0.875 63.914 63.100 -0.102 0.000 0.803 41 P CB 0.266 31.929 31.700 -0.063 0.000 0.782 42 D N -1.872 118.461 120.400 -0.111 0.000 2.367 42 D HA 0.130 4.778 4.640 0.012 0.000 0.207 42 D C 0.430 176.822 176.300 0.153 0.000 1.034 42 D CA 0.525 54.546 54.000 0.034 0.000 0.861 42 D CB 0.416 41.301 40.800 0.141 0.000 0.943 42 D HN 0.253 nan 8.370 nan 0.000 0.515 43 F N -0.459 119.529 119.950 0.063 0.000 2.770 43 F HA 0.519 5.053 4.527 0.012 0.000 0.313 43 F C -1.614 174.223 175.800 0.062 0.000 1.154 43 F CA -1.356 56.675 58.000 0.053 0.000 0.923 43 F CB 1.448 40.468 39.000 0.033 0.000 1.301 43 F HN -0.312 nan 8.300 nan 0.000 0.449 44 E N 1.992 122.433 120.200 0.402 0.000 2.290 44 E HA 0.731 5.088 4.350 0.012 0.000 0.274 44 E C -2.061 174.720 176.600 0.302 0.000 0.889 44 E CA -0.698 55.886 56.400 0.308 0.000 0.760 44 E CB 2.306 32.133 29.700 0.213 0.000 1.206 44 E HN 0.757 nan 8.360 nan 0.000 0.419 45 I N 3.580 124.330 120.570 0.299 0.000 2.619 45 I HA 0.424 4.601 4.170 0.012 0.000 0.292 45 I C -1.435 174.752 176.117 0.117 0.000 1.100 45 I CA -1.094 60.303 61.300 0.161 0.000 1.043 45 I CB 1.863 39.937 38.000 0.123 0.000 1.239 45 I HN 0.540 nan 8.210 nan 0.000 0.420 46 Y N 3.670 123.821 120.300 -0.248 0.000 2.477 46 Y HA 0.862 5.419 4.550 0.012 0.000 0.347 46 Y C 0.053 175.694 175.900 -0.432 0.000 0.981 46 Y CA -0.148 57.686 58.100 -0.444 0.000 1.033 46 Y CB 2.250 40.157 38.460 -0.922 0.000 1.245 46 Y HN 0.820 nan 8.280 nan 0.000 0.455 47 G N 1.601 110.125 108.800 -0.460 0.000 2.352 47 G HA2 0.513 4.480 3.960 0.012 0.000 0.283 47 G HA3 0.513 4.480 3.960 0.012 0.000 0.283 47 G C -2.086 172.446 174.900 -0.613 0.000 1.308 47 G CA -0.328 44.621 45.100 -0.251 0.000 0.892 47 G HN 1.068 nan 8.290 nan 0.000 0.504 48 A N -1.251 121.150 122.820 -0.698 0.000 2.330 48 A HA 1.002 5.329 4.320 0.012 0.000 0.329 48 A C 0.032 177.539 177.584 -0.128 0.000 1.135 48 A CA 0.231 51.845 52.037 -0.705 0.000 0.817 48 A CB 2.066 20.215 19.000 -1.418 0.000 1.269 48 A HN 1.955 nan 8.150 nan 0.000 0.469 49 T N -0.338 114.271 114.554 0.092 0.000 2.786 49 T HA 0.409 4.766 4.350 0.012 0.000 0.316 49 T C -1.369 173.522 174.700 0.318 0.000 1.503 49 T CA -0.468 61.796 62.100 0.273 0.000 1.019 49 T CB 1.141 70.062 68.868 0.088 0.000 1.415 49 T HN 0.723 nan 8.240 nan 0.000 0.496 50 Q N 1.982 121.913 119.800 0.219 0.000 2.352 50 Q HA 0.455 4.802 4.340 0.012 0.000 0.260 50 Q C 0.494 176.527 176.000 0.055 0.000 0.976 50 Q CA -0.194 55.643 55.803 0.057 0.000 0.881 50 Q CB 0.324 29.090 28.738 0.048 0.000 1.235 50 Q HN 0.640 nan 8.270 nan 0.000 0.419 51 I N -1.132 119.446 120.570 0.012 0.000 2.815 51 I HA 0.211 4.388 4.170 0.012 0.000 0.291 51 I C 1.126 177.221 176.117 -0.037 0.000 1.209 51 I CA 0.690 61.964 61.300 -0.044 0.000 1.431 51 I CB 0.014 37.951 38.000 -0.105 0.000 1.351 51 I HN 0.806 nan 8.210 nan 0.000 0.585 52 G N 4.086 112.850 108.800 -0.060 0.000 2.241 52 G HA2 -0.225 3.742 3.960 0.012 0.000 0.244 52 G HA3 -0.225 3.742 3.960 0.012 0.000 0.244 52 G C -0.125 174.758 174.900 -0.028 0.000 0.998 52 G CA -0.051 45.020 45.100 -0.048 0.000 0.621 52 G HN 0.582 nan 8.290 nan 0.000 0.519 53 L N 2.534 123.751 121.223 -0.009 0.000 2.305 53 L HA 0.516 4.863 4.340 0.012 0.000 0.281 53 L C -0.176 176.688 176.870 -0.010 0.000 1.085 53 L CA -1.496 53.342 54.840 -0.003 0.000 0.813 53 L CB 1.075 43.139 42.059 0.009 0.000 1.157 53 L HN 0.039 nan 8.230 nan 0.000 0.436 54 P HA 0.036 nan 4.420 nan 0.000 0.245 54 P C -0.296 176.999 177.300 -0.008 0.000 1.206 54 P CA 0.386 63.469 63.100 -0.027 0.000 0.781 54 P CB 0.389 32.058 31.700 -0.052 0.000 0.994 55 V N -2.577 117.336 119.914 -0.001 0.000 2.769 55 V HA 0.510 4.637 4.120 0.012 0.000 0.312 55 V C -0.114 175.960 176.094 -0.033 0.000 1.061 55 V CA -1.473 60.842 62.300 0.025 0.000 0.931 55 V CB 2.245 34.111 31.823 0.072 0.000 1.010 55 V HN -0.228 nan 8.190 nan 0.000 0.433 56 I N 4.135 124.696 120.570 -0.014 0.000 2.379 56 I HA 0.394 4.571 4.170 0.012 0.000 0.290 56 I C 1.434 177.481 176.117 -0.117 0.000 1.063 56 I CA -0.155 61.117 61.300 -0.047 0.000 1.351 56 I CB 1.042 39.022 38.000 -0.033 0.000 1.410 56 I HN 0.742 nan 8.210 nan 0.000 0.505 57 R N 4.208 124.586 120.500 -0.203 0.000 2.127 57 R HA 0.081 4.428 4.340 0.012 0.000 0.217 57 R C -0.115 175.961 176.300 -0.374 0.000 1.074 57 R CA 1.019 56.837 56.100 -0.471 0.000 0.991 57 R CB 0.110 30.041 30.300 -0.616 0.000 0.895 57 R HN 0.384 nan 8.270 nan 0.000 0.450 58 F N 1.014 120.936 119.950 -0.048 0.000 2.318 58 F HA 0.431 4.965 4.527 0.011 0.000 0.356 58 F C 0.142 176.021 175.800 0.131 0.000 1.109 58 F CA -0.776 57.266 58.000 0.070 0.000 1.234 58 F CB 1.026 40.055 39.000 0.049 0.000 1.545 58 F HN -0.057 nan 8.300 nan 0.000 0.534 59 A N 2.998 125.969 122.820 0.253 0.000 2.354 59 A HA 0.970 5.297 4.320 0.012 0.000 0.321 59 A C -1.169 176.641 177.584 0.376 0.000 1.125 59 A CA -0.582 51.594 52.037 0.232 0.000 0.799 59 A CB 1.645 20.710 19.000 0.109 0.000 1.293 59 A HN 0.574 nan 8.150 nan 0.000 0.452 60 F N -0.203 119.879 119.950 0.219 0.000 2.719 60 F HA 0.743 5.277 4.527 0.012 0.000 0.309 60 F C -0.893 175.026 175.800 0.199 0.000 1.138 60 F CA -0.926 57.207 58.000 0.221 0.000 0.943 60 F CB 0.898 40.036 39.000 0.231 0.000 1.304 60 F HN 0.780 nan 8.300 nan 0.000 0.445 61 N N -0.640 118.289 118.700 0.382 0.000 3.522 61 N HA 0.245 4.993 4.740 0.012 0.000 0.328 61 N C -0.170 175.542 175.510 0.337 0.000 1.623 61 N CA -0.664 52.518 53.050 0.220 0.000 0.812 61 N CB 0.185 38.771 38.487 0.165 0.000 2.008 61 N HN 0.531 nan 8.380 nan 0.000 0.601 62 Q N -0.632 119.301 119.800 0.222 0.000 2.364 62 Q HA -0.011 4.336 4.340 0.012 0.000 0.207 62 Q C 1.053 177.212 176.000 0.266 0.000 0.970 62 Q CA 1.066 56.990 55.803 0.202 0.000 0.888 62 Q CB 0.051 28.867 28.738 0.130 0.000 0.951 62 Q HN 0.632 nan 8.270 nan 0.000 0.469 63 R N -0.733 119.923 120.500 0.260 0.000 2.225 63 R HA 0.186 4.533 4.340 0.012 0.000 0.194 63 R C 0.731 177.036 176.300 0.008 0.000 0.949 63 R CA 0.357 56.558 56.100 0.168 0.000 1.088 63 R CB 0.608 30.968 30.300 0.100 0.000 1.106 63 R HN 0.234 nan 8.270 nan 0.000 0.566 64 M N -2.467 117.162 119.600 0.048 0.000 2.843 64 M HA 0.694 5.182 4.480 0.012 0.000 0.273 64 M C -1.020 175.292 176.300 0.020 0.000 1.286 64 M CA -0.960 54.124 55.300 -0.361 0.000 0.807 64 M CB 2.385 34.781 32.600 -0.340 0.000 1.684 64 M HN -0.046 nan 8.290 nan 0.000 0.458 65 G N 0.684 109.351 108.800 -0.222 0.000 2.667 65 G HA2 0.656 4.624 3.960 0.012 0.000 0.294 65 G HA3 0.656 4.624 3.960 0.012 0.000 0.294 65 G C -1.869 173.005 174.900 -0.044 0.000 1.467 65 G CA -0.788 44.407 45.100 0.160 0.000 0.852 65 G HN 1.316 nan 8.290 nan 0.000 0.521 66 I N -2.045 118.599 120.570 0.123 0.000 3.174 66 I HA 0.966 5.144 4.170 0.012 0.000 0.313 66 I C -0.746 175.465 176.117 0.156 0.000 1.155 66 I CA -1.006 60.364 61.300 0.116 0.000 0.977 66 I CB 2.484 40.583 38.000 0.164 0.000 1.248 66 I HN 0.688 nan 8.210 nan 0.000 0.453 67 T N 1.259 115.883 114.554 0.117 0.000 2.853 67 T HA 0.565 4.922 4.350 0.012 0.000 0.311 67 T C -1.572 173.108 174.700 -0.033 0.000 1.307 67 T CA -0.639 61.509 62.100 0.080 0.000 1.019 67 T CB 1.660 70.683 68.868 0.258 0.000 1.264 67 T HN 0.889 nan 8.240 nan 0.000 0.497 68 N N 0.581 119.175 118.700 -0.176 0.000 2.265 68 N HA 0.784 5.531 4.740 0.012 0.000 0.300 68 N C -1.122 174.455 175.510 0.112 0.000 1.148 68 N CA -0.739 52.240 53.050 -0.119 0.000 0.772 68 N CB 2.236 40.418 38.487 -0.509 0.000 1.434 68 N HN 0.781 nan 8.380 nan 0.000 0.481 69 T N -3.164 111.471 114.554 0.134 0.000 2.864 69 T HA 0.555 4.912 4.350 0.012 0.000 0.299 69 T C -0.840 174.006 174.700 0.244 0.000 1.166 69 T CA -0.773 61.422 62.100 0.158 0.000 1.007 69 T CB 0.747 69.686 68.868 0.118 0.000 1.219 69 T HN 0.125 nan 8.240 nan 0.000 0.506 70 V N 3.623 123.675 119.914 0.230 0.000 2.488 70 V HA 0.274 4.401 4.120 0.012 0.000 0.277 70 V C 1.079 177.250 176.094 0.129 0.000 1.046 70 V CA -0.333 62.115 62.300 0.246 0.000 0.986 70 V CB 0.605 32.546 31.823 0.197 0.000 0.989 70 V HN 1.045 nan 8.190 nan 0.000 0.475 71 N N 3.017 121.743 118.700 0.042 0.000 2.197 71 N HA 0.120 4.867 4.740 0.012 0.000 0.201 71 N C 1.152 176.638 175.510 -0.040 0.000 1.148 71 N CA 0.549 53.575 53.050 -0.039 0.000 0.883 71 N CB 0.640 38.925 38.487 -0.336 0.000 1.012 71 N HN 0.929 nan 8.380 nan 0.000 0.507 72 G N 1.412 110.182 108.800 -0.051 0.000 2.273 72 G HA2 -0.341 3.626 3.960 0.012 0.000 0.280 72 G HA3 -0.341 3.626 3.960 0.012 0.000 0.280 72 G C -0.018 174.853 174.900 -0.047 0.000 1.047 72 G CA 0.431 45.513 45.100 -0.029 0.000 0.869 72 G HN 0.564 nan 8.290 nan 0.000 0.502 73 M N 0.361 119.869 119.600 -0.154 0.000 2.336 73 M HA 0.274 4.761 4.480 0.012 0.000 0.371 73 M C 0.649 176.912 176.300 -0.062 0.000 1.542 73 M CA 0.336 55.554 55.300 -0.137 0.000 0.959 73 M CB 0.623 33.073 32.600 -0.250 0.000 2.033 73 M HN 0.234 nan 8.290 nan 0.000 0.472 74 V N 7.185 127.100 119.914 0.003 0.000 2.229 74 V HA 0.254 4.381 4.120 0.012 0.000 0.245 74 V C 1.339 177.396 176.094 -0.061 0.000 1.243 74 V CA 0.480 62.782 62.300 0.004 0.000 1.176 74 V CB -0.860 31.003 31.823 0.065 0.000 1.323 74 V HN 1.065 nan 8.190 nan 0.000 0.499 75 G N 2.702 111.459 108.800 -0.072 0.000 3.284 75 G HA2 0.535 4.502 3.960 0.012 0.000 0.236 75 G HA3 0.535 4.502 3.960 0.012 0.000 0.236 75 G C 0.371 175.259 174.900 -0.019 0.000 1.158 75 G CA 0.645 45.680 45.100 -0.108 0.000 0.774 75 G HN 0.789 nan 8.290 nan 0.000 0.545 76 A N -0.412 122.440 122.820 0.053 0.000 2.475 76 A HA 0.812 5.139 4.320 0.012 0.000 0.301 76 A C -0.627 177.085 177.584 0.213 0.000 1.059 76 A CA -0.428 51.719 52.037 0.184 0.000 0.710 76 A CB 1.661 20.729 19.000 0.114 0.000 1.288 76 A HN 0.036 nan 8.150 nan 0.000 0.408 77 T N 2.234 116.986 114.554 0.329 0.000 2.841 77 T HA 0.453 4.810 4.350 0.012 0.000 0.283 77 T C -0.724 173.977 174.700 0.001 0.000 1.000 77 T CA -0.659 61.541 62.100 0.166 0.000 0.977 77 T CB 1.042 70.070 68.868 0.266 0.000 0.979 77 T HN 0.562 nan 8.240 nan 0.000 0.446 78 N N 2.350 120.966 118.700 -0.139 0.000 2.437 78 N HA 0.329 5.076 4.740 0.012 0.000 0.259 78 N C -1.364 174.011 175.510 -0.226 0.000 0.983 78 N CA -0.301 52.691 53.050 -0.096 0.000 0.937 78 N CB 1.052 39.493 38.487 -0.077 0.000 1.122 78 N HN 0.527 nan 8.380 nan 0.000 0.499 79 Y N 0.494 120.728 120.300 -0.111 0.000 2.330 79 Y HA 0.318 4.876 4.550 0.012 0.000 0.336 79 Y C 1.022 176.816 175.900 -0.176 0.000 1.036 79 Y CA -0.803 57.176 58.100 -0.202 0.000 1.125 79 Y CB 1.446 39.652 38.460 -0.424 0.000 1.194 79 Y HN 0.180 nan 8.280 nan 0.000 0.469 80 R N 4.521 125.027 120.500 0.011 0.000 2.216 80 R HA 0.394 4.741 4.340 0.012 0.000 0.332 80 R C -1.213 175.108 176.300 0.035 0.000 1.056 80 R CA -0.198 55.907 56.100 0.008 0.000 0.901 80 R CB 0.124 30.418 30.300 -0.011 0.000 1.039 80 R HN 0.775 nan 8.270 nan 0.000 0.456 81 L N 2.885 124.132 121.223 0.041 0.000 2.399 81 L HA 0.353 4.700 4.340 0.012 0.000 0.265 81 L C 0.225 177.172 176.870 0.127 0.000 1.089 81 L CA -0.585 54.306 54.840 0.084 0.000 0.802 81 L CB 1.885 44.000 42.059 0.093 0.000 1.180 81 L HN 0.585 nan 8.230 nan 0.000 0.454 82 T N 3.291 117.946 114.554 0.169 0.000 2.874 82 T HA 0.446 4.803 4.350 0.012 0.000 0.321 82 T C -0.028 174.773 174.700 0.168 0.000 1.075 82 T CA -0.467 61.720 62.100 0.146 0.000 0.966 82 T CB 0.262 69.208 68.868 0.130 0.000 1.001 82 T HN 0.249 nan 8.240 nan 0.000 0.476 83 L N 3.547 124.868 121.223 0.164 0.000 2.380 83 L HA 0.531 4.878 4.340 0.012 0.000 0.273 83 L C 0.336 177.273 176.870 0.112 0.000 1.138 83 L CA -0.216 54.733 54.840 0.180 0.000 0.832 83 L CB 0.661 42.842 42.059 0.203 0.000 1.124 83 L HN 0.584 nan 8.230 nan 0.000 0.454 84 Q N 2.345 122.195 119.800 0.082 0.000 2.443 84 Q HA 0.110 4.457 4.340 0.012 0.000 0.258 84 Q C -1.418 174.592 176.000 0.016 0.000 0.967 84 Q CA -0.632 55.196 55.803 0.042 0.000 0.951 84 Q CB 1.609 30.362 28.738 0.024 0.000 1.459 84 Q HN 0.701 nan 8.270 nan 0.000 0.415 85 D N 2.895 123.308 120.400 0.022 0.000 2.708 85 D HA -0.224 4.423 4.640 0.012 0.000 0.236 85 D C 0.691 177.001 176.300 0.017 0.000 1.146 85 D CA 2.000 56.007 54.000 0.011 0.000 0.662 85 D CB -1.295 39.498 40.800 -0.012 0.000 1.059 85 D HN 1.149 nan 8.370 nan 0.000 0.428 86 G N -1.796 107.039 108.800 0.059 0.000 2.179 86 G HA2 -0.157 3.810 3.960 0.012 0.000 0.260 86 G HA3 -0.157 3.810 3.960 0.012 0.000 0.260 86 G C 0.658 175.628 174.900 0.117 0.000 0.977 86 G CA 0.726 45.885 45.100 0.099 0.000 0.641 86 G HN 1.036 nan 8.290 nan 0.000 0.533 87 G N -0.981 107.816 108.800 -0.004 0.000 3.183 87 G HA2 0.854 4.821 3.960 0.012 0.000 0.247 87 G HA3 0.854 4.821 3.960 0.012 0.000 0.247 87 G C -0.777 173.955 174.900 -0.279 0.000 1.211 87 G CA -0.155 44.782 45.100 -0.271 0.000 0.835 87 G HN 1.326 nan 8.290 nan 0.000 0.604 88 Y N -1.470 118.544 120.300 -0.476 0.000 2.553 88 Y HA 0.761 5.318 4.550 0.012 0.000 0.347 88 Y C -0.717 175.123 175.900 -0.101 0.000 1.019 88 Y CA -1.589 56.358 58.100 -0.255 0.000 1.032 88 Y CB 1.433 39.701 38.460 -0.320 0.000 1.284 88 Y HN 0.429 nan 8.280 nan 0.000 0.466 89 L N 3.761 125.037 121.223 0.088 0.000 2.367 89 L HA 0.251 4.598 4.340 0.012 0.000 0.275 89 L C -1.368 175.644 176.870 0.237 0.000 1.129 89 L CA -0.308 54.575 54.840 0.072 0.000 0.839 89 L CB 0.543 42.655 42.059 0.087 0.000 1.133 89 L HN 0.836 nan 8.230 nan 0.000 0.453 90 Y N 3.708 123.983 120.300 -0.041 0.000 2.307 90 Y HA 0.171 4.728 4.550 0.012 0.000 0.323 90 Y C -0.311 175.576 175.900 -0.021 0.000 1.100 90 Y CA -1.232 56.879 58.100 0.018 0.000 1.140 90 Y CB 0.780 39.237 38.460 -0.005 0.000 1.159 90 Y HN 0.669 nan 8.280 nan 0.000 0.436 91 D N 4.333 124.577 120.400 -0.260 0.000 2.723 91 D HA -0.172 4.475 4.640 0.012 0.000 0.236 91 D C 1.227 177.470 176.300 -0.095 0.000 1.138 91 D CA 2.178 56.044 54.000 -0.223 0.000 0.676 91 D CB -1.109 39.508 40.800 -0.304 0.000 1.069 91 D HN 1.285 nan 8.370 nan 0.000 0.430 92 G N -0.806 107.964 108.800 -0.050 0.000 2.184 92 G HA2 -0.354 3.613 3.960 0.012 0.000 0.264 92 G HA3 -0.354 3.613 3.960 0.012 0.000 0.264 92 G C 0.209 175.091 174.900 -0.030 0.000 0.975 92 G CA 0.736 45.818 45.100 -0.030 0.000 0.642 92 G HN 0.534 nan 8.290 nan 0.000 0.536 93 Q N -0.747 119.032 119.800 -0.034 0.000 2.377 93 Q HA 0.614 4.961 4.340 0.012 0.000 0.271 93 Q C -0.305 175.637 176.000 -0.098 0.000 1.077 93 Q CA -1.007 54.764 55.803 -0.054 0.000 0.820 93 Q CB 3.012 31.720 28.738 -0.050 0.000 1.347 93 Q HN 0.119 nan 8.270 nan 0.000 0.444 94 V N 3.262 123.100 119.914 -0.127 0.000 2.439 94 V HA 0.191 4.318 4.120 0.012 0.000 0.271 94 V C 0.075 175.978 176.094 -0.318 0.000 1.040 94 V CA -0.100 62.074 62.300 -0.210 0.000 1.002 94 V CB 0.137 31.872 31.823 -0.146 0.000 1.000 94 V HN 0.539 nan 8.190 nan 0.000 0.477 95 R N 6.557 126.690 120.500 -0.611 0.000 2.540 95 R HA 0.513 4.860 4.340 0.012 0.000 0.287 95 R C -2.599 173.257 176.300 -0.740 0.000 0.980 95 R CA -2.196 53.467 56.100 -0.729 0.000 0.966 95 R CB 1.965 31.602 30.300 -1.105 0.000 1.106 95 R HN 0.406 nan 8.270 nan 0.000 0.480 96 P HA 0.250 nan 4.420 nan 0.000 0.286 96 P C -0.684 176.576 177.300 -0.067 0.000 1.261 96 P CA -0.418 62.557 63.100 -0.209 0.000 0.821 96 P CB 0.603 32.250 31.700 -0.089 0.000 1.013 97 F N 0.389 120.415 119.950 0.126 0.000 2.406 97 F HA 0.233 4.767 4.527 0.012 0.000 0.327 97 F C 1.523 177.353 175.800 0.050 0.000 1.153 97 F CA 0.042 58.125 58.000 0.138 0.000 1.218 97 F CB 0.408 39.460 39.000 0.086 0.000 1.215 97 F HN 0.323 nan 8.300 nan 0.000 0.570 98 E N 2.371 122.721 120.200 0.250 0.000 2.146 98 E HA 0.341 4.698 4.350 0.012 0.000 0.282 98 E C -0.767 175.881 176.600 0.079 0.000 0.989 98 E CA -0.591 55.876 56.400 0.112 0.000 0.799 98 E CB 0.694 30.431 29.700 0.062 0.000 1.088 98 E HN 0.505 nan 8.360 nan 0.000 0.397 99 R N 3.180 123.709 120.500 0.049 0.000 2.664 99 R HA 0.521 4.868 4.340 0.012 0.000 0.286 99 R C -0.443 175.853 176.300 -0.007 0.000 0.967 99 R CA -0.838 55.268 56.100 0.009 0.000 0.933 99 R CB 1.577 31.885 30.300 0.015 0.000 1.146 99 R HN 0.389 nan 8.270 nan 0.000 0.468 100 R N 1.928 122.412 120.500 -0.026 0.000 2.574 100 R HA 0.222 4.569 4.340 0.012 0.000 0.288 100 R C -1.083 175.201 176.300 -0.026 0.000 1.004 100 R CA -1.006 55.081 56.100 -0.022 0.000 0.895 100 R CB 2.328 32.612 30.300 -0.026 0.000 1.191 100 R HN 0.416 nan 8.270 nan 0.000 0.444 101 Q N 1.706 121.496 119.800 -0.016 0.000 2.398 101 Q HA 0.503 4.850 4.340 0.012 0.000 0.251 101 Q C -0.503 175.493 176.000 -0.006 0.000 0.999 101 Q CA -0.281 55.514 55.803 -0.015 0.000 0.874 101 Q CB 1.908 30.637 28.738 -0.014 0.000 1.215 101 Q HN 0.687 nan 8.270 nan 0.000 0.470 102 A N 1.695 124.517 122.820 0.003 0.000 2.312 102 A HA 0.882 5.209 4.320 0.012 0.000 0.310 102 A C -0.403 177.202 177.584 0.036 0.000 1.139 102 A CA -0.549 51.503 52.037 0.025 0.000 0.886 102 A CB 1.849 20.873 19.000 0.040 0.000 1.350 102 A HN 0.534 nan 8.150 nan 0.000 0.479 103 S N -1.763 113.974 115.700 0.061 0.000 2.570 103 S HA 0.773 5.250 4.470 0.012 0.000 0.270 103 S C -1.769 172.906 174.600 0.125 0.000 1.149 103 S CA -0.367 57.847 58.200 0.024 0.000 0.837 103 S CB 1.314 64.495 63.200 -0.031 0.000 1.124 103 S HN 1.721 nan 8.310 nan 0.000 0.465 104 Y N -0.089 120.203 120.300 -0.013 0.000 2.624 104 Y HA 0.717 5.274 4.550 0.012 0.000 0.334 104 Y C -1.103 174.791 175.900 -0.010 0.000 1.155 104 Y CA -1.246 56.848 58.100 -0.011 0.000 1.046 104 Y CB 0.634 39.089 38.460 -0.009 0.000 1.316 104 Y HN 0.653 nan 8.280 nan 0.000 0.457 105 R N 1.634 122.218 120.500 0.139 0.000 2.536 105 R HA 0.681 5.028 4.340 0.012 0.000 0.279 105 R C -1.662 174.725 176.300 0.144 0.000 1.001 105 R CA -1.141 54.987 56.100 0.047 0.000 1.027 105 R CB 1.837 32.161 30.300 0.040 0.000 1.096 105 R HN 0.703 nan 8.270 nan 0.000 0.502 106 L N 2.074 123.331 121.223 0.058 0.000 2.343 106 L HA 0.391 4.738 4.340 0.012 0.000 0.278 106 L C -0.529 176.368 176.870 0.044 0.000 0.996 106 L CA -0.711 54.185 54.840 0.093 0.000 0.831 106 L CB 1.438 43.543 42.059 0.076 0.000 1.232 106 L HN 0.420 nan 8.230 nan 0.000 0.413 107 R N 2.959 123.487 120.500 0.045 0.000 2.489 107 R HA 0.256 4.603 4.340 0.012 0.000 0.287 107 R C -0.274 176.036 176.300 0.017 0.000 1.053 107 R CA 0.155 56.270 56.100 0.024 0.000 1.036 107 R CB 0.405 30.717 30.300 0.020 0.000 0.966 107 R HN 0.593 nan 8.270 nan 0.000 0.432 108 Q N 2.254 122.059 119.800 0.009 0.000 2.212 108 Q HA 0.267 4.614 4.340 0.012 0.000 0.238 108 Q C 0.770 176.772 176.000 0.004 0.000 0.955 108 Q CA 0.253 56.059 55.803 0.005 0.000 0.906 108 Q CB 1.414 30.152 28.738 -0.000 0.000 1.215 108 Q HN 0.801 nan 8.270 nan 0.000 0.478 109 A N 1.379 124.200 122.820 0.002 0.000 1.940 109 A HA -0.197 4.130 4.320 0.012 0.000 0.219 109 A C 1.116 178.699 177.584 -0.001 0.000 1.176 109 A CA 2.084 54.121 52.037 0.001 0.000 0.631 109 A CB -0.419 18.581 19.000 0.000 0.000 0.814 109 A HN 0.776 nan 8.150 nan 0.000 0.446 110 D N -1.966 118.434 120.400 -0.001 0.000 2.352 110 D HA 0.256 4.903 4.640 0.012 0.000 0.232 110 D C 1.152 177.451 176.300 -0.002 0.000 1.055 110 D CA 0.994 54.993 54.000 -0.002 0.000 0.891 110 D CB -0.624 40.174 40.800 -0.003 0.000 0.897 110 D HN 0.809 nan 8.370 nan 0.000 0.529 111 G N -0.147 108.652 108.800 -0.001 0.000 2.195 111 G HA2 -0.280 3.687 3.960 0.012 0.000 0.246 111 G HA3 -0.280 3.687 3.960 0.012 0.000 0.246 111 G C 0.562 175.462 174.900 -0.001 0.000 0.984 111 G CA 0.562 45.662 45.100 -0.001 0.000 0.633 111 G HN 0.786 nan 8.290 nan 0.000 0.525 112 T N -0.823 113.730 114.554 -0.002 0.000 2.824 112 T HA 0.707 5.064 4.350 0.012 0.000 0.277 112 T C 0.373 175.072 174.700 -0.001 0.000 0.975 112 T CA 0.651 62.749 62.100 -0.003 0.000 0.966 112 T CB 1.870 70.735 68.868 -0.005 0.000 1.054 112 T HN 1.336 nan 8.240 nan 0.000 0.533 113 T N -1.799 112.752 114.554 -0.004 0.000 2.916 113 T HA 0.701 5.058 4.350 0.012 0.000 0.292 113 T C -0.249 174.441 174.700 -0.016 0.000 1.055 113 T CA -0.689 61.408 62.100 -0.004 0.000 1.009 113 T CB 1.311 70.180 68.868 0.001 0.000 1.118 113 T HN 1.276 nan 8.240 nan 0.000 0.497 114 V N -1.322 118.576 119.914 -0.027 0.000 2.914 114 V HA 0.730 4.857 4.120 0.012 0.000 0.314 114 V C -1.312 174.732 176.094 -0.084 0.000 1.084 114 V CA -1.063 61.208 62.300 -0.048 0.000 0.963 114 V CB 1.946 33.740 31.823 -0.048 0.000 1.025 114 V HN 0.887 nan 8.190 nan 0.000 0.432 115 D N 2.424 122.763 120.400 -0.101 0.000 2.249 115 D HA 0.455 5.102 4.640 0.012 0.000 0.246 115 D C -0.405 175.760 176.300 -0.226 0.000 1.114 115 D CA 0.026 53.935 54.000 -0.152 0.000 0.854 115 D CB 1.706 42.443 40.800 -0.104 0.000 1.132 115 D HN 0.574 nan 8.370 nan 0.000 0.461 116 K N 3.220 123.368 120.400 -0.418 0.000 2.323 116 K HA 0.367 4.694 4.320 0.012 0.000 0.259 116 K C -2.463 173.867 176.600 -0.450 0.000 0.947 116 K CA -1.724 54.267 56.287 -0.493 0.000 0.819 116 K CB 2.534 34.566 32.500 -0.779 0.000 1.109 116 K HN 0.233 nan 8.250 nan 0.000 0.429 117 P HA 0.170 nan 4.420 nan 0.000 0.277 117 P C -1.141 176.126 177.300 -0.055 0.000 1.240 117 P CA -0.638 62.390 63.100 -0.120 0.000 0.798 117 P CB 0.976 32.630 31.700 -0.076 0.000 0.979 118 L N 1.119 122.352 121.223 0.016 0.000 2.491 118 L HA 0.398 4.745 4.340 0.012 0.000 0.267 118 L C -0.462 176.415 176.870 0.012 0.000 0.971 118 L CA -0.558 54.326 54.840 0.073 0.000 0.857 118 L CB 1.617 43.806 42.059 0.217 0.000 1.226 118 L HN 0.346 nan 8.230 nan 0.000 0.408 119 E N 4.959 125.144 120.200 -0.026 0.000 2.227 119 E HA 0.454 4.811 4.350 0.012 0.000 0.282 119 E C -1.090 175.449 176.600 -0.102 0.000 1.015 119 E CA -0.480 55.885 56.400 -0.058 0.000 0.823 119 E CB 0.961 30.618 29.700 -0.070 0.000 1.081 119 E HN 0.671 nan 8.360 nan 0.000 0.396 120 I N 5.320 125.828 120.570 -0.103 0.000 2.354 120 I HA 0.336 4.513 4.170 0.012 0.000 0.286 120 I C 0.102 176.126 176.117 -0.156 0.000 1.007 120 I CA -0.494 60.718 61.300 -0.148 0.000 1.167 120 I CB 1.152 39.089 38.000 -0.106 0.000 1.320 120 I HN 0.357 nan 8.210 nan 0.000 0.458 121 R N 3.968 124.325 120.500 -0.237 0.000 2.604 121 R HA 0.729 5.076 4.340 0.012 0.000 0.287 121 R C -0.833 175.360 176.300 -0.179 0.000 0.970 121 R CA -0.646 55.311 56.100 -0.238 0.000 0.946 121 R CB 2.239 32.239 30.300 -0.501 0.000 1.127 121 R HN 0.485 nan 8.270 nan 0.000 0.473 122 S N 0.450 116.142 115.700 -0.013 0.000 2.547 122 S HA 0.338 4.815 4.470 0.012 0.000 0.281 122 S C -0.591 174.098 174.600 0.148 0.000 1.118 122 S CA -0.792 57.424 58.200 0.026 0.000 0.947 122 S CB 1.939 65.134 63.200 -0.008 0.000 1.053 122 S HN 0.711 nan 8.310 nan 0.000 0.482 123 S N 0.868 116.581 115.700 0.023 0.000 2.718 123 S HA 0.506 4.983 4.470 0.012 0.000 0.292 123 S C 1.175 175.652 174.600 -0.205 0.000 1.125 123 S CA -0.504 57.560 58.200 -0.226 0.000 1.013 123 S CB 0.627 63.436 63.200 -0.652 0.000 1.192 123 S HN 0.514 nan 8.310 nan 0.000 0.535 124 V N 1.183 120.873 119.914 -0.375 0.000 2.720 124 V HA -0.135 3.992 4.120 0.012 0.000 0.256 124 V C 1.980 177.786 176.094 -0.480 0.000 1.082 124 V CA 2.131 64.169 62.300 -0.437 0.000 1.101 124 V CB -1.497 29.941 31.823 -0.641 0.000 0.693 124 V HN 0.897 nan 8.190 nan 0.000 0.479 125 H N 0.288 119.119 119.070 -0.399 0.000 2.333 125 H HA 0.469 5.032 4.556 0.012 0.000 0.302 125 H C 1.072 176.272 175.328 -0.214 0.000 1.075 125 H CA 1.004 56.809 56.048 -0.405 0.000 1.348 125 H CB -0.175 29.254 29.762 -0.556 0.000 1.393 125 H HN 0.621 nan 8.280 nan 0.000 0.509 126 G N -1.300 107.500 108.800 -0.001 0.000 2.351 126 G HA2 0.146 4.113 3.960 0.012 0.000 0.279 126 G HA3 0.146 4.113 3.960 0.012 0.000 0.279 126 G C -2.827 172.083 174.900 0.016 0.000 1.297 126 G CA -1.184 43.925 45.100 0.016 0.000 0.886 126 G HN -0.108 nan 8.290 nan 0.000 0.493 127 P HA 0.360 nan 4.420 nan 0.000 0.265 127 P C -0.240 177.004 177.300 -0.094 0.000 1.187 127 P CA -0.111 62.947 63.100 -0.070 0.000 0.766 127 P CB 0.990 32.674 31.700 -0.027 0.000 0.820 128 V N 4.724 124.464 119.914 -0.290 0.000 2.398 128 V HA 0.420 4.547 4.120 0.012 0.000 0.286 128 V C -0.188 175.637 176.094 -0.448 0.000 1.026 128 V CA -0.141 62.014 62.300 -0.241 0.000 0.868 128 V CB 0.373 32.035 31.823 -0.269 0.000 0.982 128 V HN 0.351 nan 8.190 nan 0.000 0.443 129 F N 2.060 121.970 119.950 -0.067 0.000 2.532 129 F HA 0.530 5.064 4.527 0.012 0.000 0.321 129 F C 0.259 176.028 175.800 -0.052 0.000 1.089 129 F CA -0.731 57.235 58.000 -0.058 0.000 0.926 129 F CB 1.801 40.778 39.000 -0.039 0.000 1.168 129 F HN 0.457 nan 8.300 nan 0.000 0.459 130 E N 3.292 123.562 120.200 0.117 0.000 2.175 130 E HA 0.414 4.771 4.350 0.012 0.000 0.278 130 E C -0.534 176.109 176.600 0.072 0.000 0.969 130 E CA -0.644 55.793 56.400 0.061 0.000 0.796 130 E CB 1.043 30.750 29.700 0.012 0.000 1.104 130 E HN 0.606 nan 8.360 nan 0.000 0.395 131 R N 1.962 122.492 120.500 0.051 0.000 2.541 131 R HA 0.331 4.678 4.340 0.012 0.000 0.263 131 R C 1.041 177.356 176.300 0.024 0.000 1.112 131 R CA 0.214 56.334 56.100 0.033 0.000 1.170 131 R CB 0.668 30.980 30.300 0.019 0.000 1.167 131 R HN 0.697 nan 8.270 nan 0.000 0.582 132 A N 1.326 124.156 122.820 0.016 0.000 1.883 132 A HA -0.236 4.091 4.320 0.012 0.000 0.217 132 A C 1.408 178.999 177.584 0.011 0.000 1.186 132 A CA 2.249 54.293 52.037 0.012 0.000 0.624 132 A CB -0.816 18.188 19.000 0.007 0.000 0.822 132 A HN 0.896 nan 8.150 nan 0.000 0.444 133 D N -2.376 118.030 120.400 0.010 0.000 2.392 133 D HA 0.272 4.919 4.640 0.012 0.000 0.228 133 D C 1.179 177.487 176.300 0.014 0.000 1.003 133 D CA 1.188 55.194 54.000 0.010 0.000 0.917 133 D CB -0.402 40.403 40.800 0.007 0.000 0.890 133 D HN 0.844 nan 8.370 nan 0.000 0.532 134 G N -0.996 107.815 108.800 0.018 0.000 2.213 134 G HA2 -0.276 3.691 3.960 0.012 0.000 0.236 134 G HA3 -0.276 3.691 3.960 0.012 0.000 0.236 134 G C 0.485 175.402 174.900 0.028 0.000 0.991 134 G CA 0.134 45.247 45.100 0.022 0.000 0.629 134 G HN 0.436 nan 8.290 nan 0.000 0.517 135 T N 2.024 116.593 114.554 0.026 0.000 2.867 135 T HA 0.479 4.836 4.350 0.012 0.000 0.297 135 T C 0.706 175.429 174.700 0.039 0.000 0.989 135 T CA 0.756 62.874 62.100 0.030 0.000 1.159 135 T CB 1.280 70.159 68.868 0.019 0.000 0.928 135 T HN 1.371 nan 8.240 nan 0.000 0.538 136 A N 4.170 127.019 122.820 0.049 0.000 2.309 136 A HA 0.585 4.912 4.320 0.012 0.000 0.290 136 A C -0.111 177.506 177.584 0.054 0.000 1.206 136 A CA -0.574 51.495 52.037 0.053 0.000 0.850 136 A CB 0.348 19.396 19.000 0.080 0.000 1.118 136 A HN 0.688 nan 8.150 nan 0.000 0.523 137 V N 1.850 121.806 119.914 0.070 0.000 2.604 137 V HA 0.710 4.837 4.120 0.012 0.000 0.305 137 V C 0.372 176.535 176.094 0.115 0.000 1.043 137 V CA -0.376 61.970 62.300 0.076 0.000 0.888 137 V CB 1.643 33.510 31.823 0.074 0.000 0.995 137 V HN 1.146 nan 8.190 nan 0.000 0.429 138 A N 4.152 127.019 122.820 0.078 0.000 2.318 138 A HA 0.842 5.169 4.320 0.012 0.000 0.324 138 A C -0.719 176.981 177.584 0.194 0.000 1.170 138 A CA -0.539 51.554 52.037 0.094 0.000 0.810 138 A CB 1.345 20.308 19.000 -0.062 0.000 1.198 138 A HN 0.736 nan 8.150 nan 0.000 0.484 139 V N 2.626 122.681 119.914 0.235 0.000 2.370 139 V HA 0.511 4.638 4.120 0.012 0.000 0.279 139 V C 0.371 176.601 176.094 0.226 0.000 1.029 139 V CA -0.569 61.866 62.300 0.224 0.000 0.870 139 V CB 1.106 33.042 31.823 0.188 0.000 0.984 139 V HN 0.903 nan 8.190 nan 0.000 0.451 140 R N 3.677 124.347 120.500 0.283 0.000 2.310 140 R HA 0.683 5.030 4.340 0.012 0.000 0.324 140 R C -1.470 175.043 176.300 0.356 0.000 0.955 140 R CA -0.356 55.891 56.100 0.246 0.000 0.830 140 R CB 1.603 32.014 30.300 0.186 0.000 1.154 140 R HN 0.610 nan 8.270 nan 0.000 0.458 141 V N 3.758 123.841 119.914 0.283 0.000 2.435 141 V HA 0.530 4.657 4.120 0.012 0.000 0.290 141 V C 0.375 176.677 176.094 0.347 0.000 1.030 141 V CA -0.878 61.591 62.300 0.281 0.000 0.881 141 V CB 1.479 33.393 31.823 0.151 0.000 0.983 141 V HN 0.934 nan 8.190 nan 0.000 0.445 142 A N 3.089 126.096 122.820 0.311 0.000 2.322 142 A HA 0.639 4.966 4.320 0.012 0.000 0.269 142 A C 1.299 178.951 177.584 0.114 0.000 1.094 142 A CA 0.339 52.511 52.037 0.224 0.000 0.807 142 A CB 0.101 19.081 19.000 -0.033 0.000 1.047 142 A HN 2.243 nan 8.150 nan 0.000 0.487 143 G N 0.049 108.909 108.800 0.099 0.000 2.221 143 G HA2 -0.200 3.767 3.960 0.012 0.000 0.265 143 G HA3 -0.200 3.767 3.960 0.012 0.000 0.265 143 G C 0.387 175.320 174.900 0.056 0.000 1.041 143 G CA 0.478 45.612 45.100 0.057 0.000 0.807 143 G HN 0.805 nan 8.290 nan 0.000 0.502 144 L N 0.222 121.489 121.223 0.073 0.000 2.610 144 L HA 0.137 4.484 4.340 0.012 0.000 0.232 144 L C 1.646 178.542 176.870 0.042 0.000 1.149 144 L CA 1.110 55.984 54.840 0.056 0.000 0.872 144 L CB -0.036 42.060 42.059 0.063 0.000 0.992 144 L HN 0.497 nan 8.230 nan 0.000 0.447 145 D N -0.936 119.489 120.400 0.042 0.000 2.538 145 D HA 0.009 4.656 4.640 0.012 0.000 0.231 145 D C 0.341 176.656 176.300 0.025 0.000 1.229 145 D CA -0.297 53.722 54.000 0.032 0.000 0.828 145 D CB 0.387 41.207 40.800 0.034 0.000 1.035 145 D HN 0.032 nan 8.370 nan 0.000 0.495 146 R N 1.982 122.496 120.500 0.024 0.000 2.396 146 R HA 0.272 4.619 4.340 0.012 0.000 0.292 146 R C -1.828 174.484 176.300 0.019 0.000 1.240 146 R CA -1.390 54.720 56.100 0.017 0.000 1.270 146 R CB 0.973 31.281 30.300 0.013 0.000 1.108 146 R HN 0.119 nan 8.270 nan 0.000 0.573 147 P HA 0.029 nan 4.420 nan 0.000 0.245 147 P C 0.754 178.068 177.300 0.023 0.000 1.206 147 P CA 0.437 63.548 63.100 0.019 0.000 0.781 147 P CB 0.485 32.195 31.700 0.015 0.000 0.994 148 G N 0.438 109.251 108.800 0.022 0.000 3.496 148 G HA2 0.013 3.980 3.960 0.012 0.000 0.273 148 G HA3 0.013 3.980 3.960 0.012 0.000 0.273 148 G C 1.074 176.000 174.900 0.043 0.000 1.279 148 G CA -0.223 44.894 45.100 0.027 0.000 1.041 148 G HN 0.080 nan 8.290 nan 0.000 0.539 149 M N 0.050 119.684 119.600 0.057 0.000 2.065 149 M HA -0.023 4.464 4.480 0.012 0.000 0.259 149 M C 2.264 178.660 176.300 0.160 0.000 1.069 149 M CA 1.528 56.887 55.300 0.098 0.000 1.110 149 M CB -0.449 32.216 32.600 0.109 0.000 1.328 149 M HN 0.311 nan 8.290 nan 0.000 0.405 150 L N -0.104 121.198 121.223 0.131 0.000 2.046 150 L HA -0.225 4.122 4.340 0.012 0.000 0.208 150 L C 2.491 179.458 176.870 0.162 0.000 1.077 150 L CA 1.832 56.757 54.840 0.141 0.000 0.747 150 L CB -0.794 41.302 42.059 0.061 0.000 0.896 150 L HN 0.443 nan 8.230 nan 0.000 0.432 151 E N -0.144 120.123 120.200 0.111 0.000 2.150 151 E HA -0.271 4.086 4.350 0.012 0.000 0.193 151 E C 2.212 178.912 176.600 0.167 0.000 0.985 151 E CA 0.887 57.368 56.400 0.136 0.000 0.814 151 E CB 0.063 29.809 29.700 0.075 0.000 0.752 151 E HN 0.433 nan 8.360 nan 0.000 0.466 152 Q N -0.704 119.157 119.800 0.102 0.000 2.079 152 Q HA -0.211 4.136 4.340 0.012 0.000 0.200 152 Q C 1.696 177.719 176.000 0.037 0.000 0.974 152 Q CA 1.417 57.234 55.803 0.023 0.000 0.840 152 Q CB -0.141 28.564 28.738 -0.055 0.000 0.898 152 Q HN 0.388 nan 8.270 nan 0.000 0.430 153 Y N -0.381 119.957 120.300 0.064 0.000 2.181 153 Y HA -0.240 4.317 4.550 0.012 0.000 0.288 153 Y C 1.941 177.891 175.900 0.082 0.000 1.146 153 Y CA 1.587 59.728 58.100 0.068 0.000 1.164 153 Y CB -0.406 38.098 38.460 0.072 0.000 0.982 153 Y HN 0.257 nan 8.280 nan 0.000 0.515 154 F N 1.013 121.042 119.950 0.133 0.000 2.102 154 F HA -0.235 4.299 4.527 0.012 0.000 0.298 154 F C 1.976 177.768 175.800 -0.013 0.000 1.105 154 F CA 1.952 59.959 58.000 0.012 0.000 1.239 154 F CB -0.411 38.564 39.000 -0.042 0.000 0.991 154 F HN -0.015 nan 8.300 nan 0.000 0.474 155 D N -0.162 120.235 120.400 -0.005 0.000 2.219 155 D HA -0.138 4.509 4.640 0.012 0.000 0.205 155 D C 2.303 178.559 176.300 -0.073 0.000 0.970 155 D CA 1.201 55.141 54.000 -0.100 0.000 0.851 155 D CB -0.222 40.576 40.800 -0.003 0.000 0.943 155 D HN 0.363 nan 8.370 nan 0.000 0.488 156 M N 0.264 119.861 119.600 -0.004 0.000 2.098 156 M HA -0.019 4.469 4.480 0.012 0.000 0.262 156 M C 2.176 178.609 176.300 0.221 0.000 1.072 156 M CA 1.031 56.415 55.300 0.140 0.000 1.133 156 M CB -0.247 32.420 32.600 0.112 0.000 1.344 156 M HN 0.002 nan 8.290 nan 0.000 0.414 157 I N -3.317 117.326 120.570 0.122 0.000 3.334 157 I HA -0.049 4.128 4.170 0.012 0.000 0.282 157 I C 1.355 177.444 176.117 -0.046 0.000 1.313 157 I CA 0.927 62.276 61.300 0.081 0.000 1.396 157 I CB -0.507 37.543 38.000 0.082 0.000 1.054 157 I HN 0.145 nan 8.210 nan 0.000 0.495 158 T N 0.699 115.159 114.554 -0.157 0.000 3.091 158 T HA 0.480 4.837 4.350 0.012 0.000 0.277 158 T C 0.831 175.482 174.700 -0.082 0.000 0.996 158 T CA 0.053 62.009 62.100 -0.239 0.000 0.897 158 T CB -0.140 68.312 68.868 -0.693 0.000 1.109 158 T HN 0.469 nan 8.240 nan 0.000 0.534 159 A N 0.987 123.819 122.820 0.020 0.000 2.531 159 A HA 0.217 4.544 4.320 0.012 0.000 0.236 159 A C 0.944 178.584 177.584 0.093 0.000 1.062 159 A CA 0.065 52.149 52.037 0.079 0.000 0.760 159 A CB 0.167 19.280 19.000 0.189 0.000 0.995 159 A HN 0.346 nan 8.150 nan 0.000 0.501 160 D N -0.008 120.439 120.400 0.078 0.000 2.348 160 D HA 0.091 4.738 4.640 0.012 0.000 0.211 160 D C 0.503 176.864 176.300 0.100 0.000 0.998 160 D CA 1.423 55.473 54.000 0.082 0.000 0.873 160 D CB 0.156 40.995 40.800 0.065 0.000 0.925 160 D HN 0.658 nan 8.370 nan 0.000 0.524 161 S N -1.338 114.435 115.700 0.122 0.000 2.615 161 S HA 0.198 4.675 4.470 0.012 0.000 0.269 161 S C 0.246 174.963 174.600 0.194 0.000 1.161 161 S CA -0.818 57.472 58.200 0.150 0.000 0.817 161 S CB 0.771 64.033 63.200 0.104 0.000 1.131 161 S HN -0.122 nan 8.310 nan 0.000 0.467 162 F N 1.687 121.663 119.950 0.045 0.000 2.216 162 F HA -0.004 4.530 4.527 0.012 0.000 0.300 162 F C 1.686 177.470 175.800 -0.027 0.000 1.085 162 F CA 1.887 59.840 58.000 -0.078 0.000 1.326 162 F CB -0.499 38.433 39.000 -0.114 0.000 1.027 162 F HN 0.693 nan 8.300 nan 0.000 0.497 163 D N 0.278 120.627 120.400 -0.085 0.000 2.097 163 D HA -0.185 4.462 4.640 0.012 0.000 0.195 163 D C 1.837 178.033 176.300 -0.173 0.000 0.989 163 D CA 1.619 55.514 54.000 -0.174 0.000 0.827 163 D CB -0.397 40.375 40.800 -0.047 0.000 0.966 163 D HN 0.350 nan 8.370 nan 0.000 0.456 164 D N -0.248 120.109 120.400 -0.072 0.000 2.144 164 D HA -0.155 4.492 4.640 0.012 0.000 0.200 164 D C 1.969 178.214 176.300 -0.090 0.000 0.978 164 D CA 0.519 54.484 54.000 -0.058 0.000 0.833 164 D CB -0.348 40.453 40.800 0.001 0.000 0.961 164 D HN 0.296 nan 8.370 nan 0.000 0.470 165 Y N 1.874 122.050 120.300 -0.207 0.000 2.145 165 Y HA -0.207 4.350 4.550 0.012 0.000 0.286 165 Y C 2.300 177.996 175.900 -0.340 0.000 1.145 165 Y CA 1.944 59.903 58.100 -0.234 0.000 1.148 165 Y CB -0.231 38.065 38.460 -0.273 0.000 0.981 165 Y HN -0.090 nan 8.280 nan 0.000 0.507 166 E N -0.101 119.743 120.200 -0.593 0.000 2.110 166 E HA -0.185 4.172 4.350 0.012 0.000 0.193 166 E C 2.275 178.618 176.600 -0.429 0.000 0.988 166 E CA 1.140 57.155 56.400 -0.641 0.000 0.804 166 E CB -0.351 28.930 29.700 -0.697 0.000 0.745 166 E HN 0.582 nan 8.360 nan 0.000 0.458 167 A N 0.873 123.505 122.820 -0.313 0.000 1.902 167 A HA -0.106 4.221 4.320 0.012 0.000 0.217 167 A C 2.346 179.802 177.584 -0.213 0.000 1.181 167 A CA 1.724 53.635 52.037 -0.211 0.000 0.623 167 A CB -0.733 18.180 19.000 -0.144 0.000 0.818 167 A HN 0.394 nan 8.150 nan 0.000 0.443 168 A N -0.484 122.185 122.820 -0.253 0.000 1.873 168 A HA -0.009 4.318 4.320 0.012 0.000 0.215 168 A C 2.104 179.511 177.584 -0.293 0.000 1.186 168 A CA 1.658 53.556 52.037 -0.231 0.000 0.616 168 A CB -0.703 18.167 19.000 -0.216 0.000 0.823 168 A HN 0.660 nan 8.150 nan 0.000 0.442 169 L N 0.073 121.019 121.223 -0.461 0.000 2.081 169 L HA -0.139 4.208 4.340 0.012 0.000 0.212 169 L C 2.563 179.265 176.870 -0.280 0.000 1.080 169 L CA 2.198 56.769 54.840 -0.448 0.000 0.754 169 L CB -0.721 40.962 42.059 -0.626 0.000 0.893 169 L HN 0.357 nan 8.230 nan 0.000 0.433 170 A N -0.885 121.787 122.820 -0.246 0.000 2.178 170 A HA -0.177 4.150 4.320 0.012 0.000 0.218 170 A C 2.289 179.803 177.584 -0.118 0.000 1.157 170 A CA 1.267 53.207 52.037 -0.161 0.000 0.689 170 A CB -0.631 18.282 19.000 -0.145 0.000 0.787 170 A HN 0.545 nan 8.150 nan 0.000 0.465 171 R N -1.690 118.737 120.500 -0.122 0.000 2.189 171 R HA 0.019 4.366 4.340 0.012 0.000 0.223 171 R C 0.057 176.315 176.300 -0.070 0.000 1.092 171 R CA 0.716 56.766 56.100 -0.083 0.000 0.989 171 R CB -0.209 30.046 30.300 -0.075 0.000 0.876 171 R HN 0.402 nan 8.270 nan 0.000 0.457 172 M N 0.664 120.210 119.600 -0.089 0.000 2.353 172 M HA -0.208 4.279 4.480 0.012 0.000 0.202 172 M C -0.163 176.104 176.300 -0.054 0.000 0.434 172 M CA 0.805 56.061 55.300 -0.073 0.000 0.477 172 M CB -1.615 30.955 32.600 -0.049 0.000 1.592 172 M HN 0.228 nan 8.290 nan 0.000 0.895 173 Q N -0.788 118.977 119.800 -0.059 0.000 2.352 173 Q HA 0.298 4.645 4.340 0.012 0.000 0.212 173 Q C 0.670 176.663 176.000 -0.012 0.000 0.888 173 Q CA 0.453 56.240 55.803 -0.027 0.000 0.934 173 Q CB 1.044 29.773 28.738 -0.015 0.000 1.093 173 Q HN 0.535 nan 8.270 nan 0.000 0.523 174 V N 4.877 124.765 119.914 -0.043 0.000 2.348 174 V HA 0.116 4.243 4.120 0.012 0.000 0.270 174 V C -1.370 174.700 176.094 -0.040 0.000 1.037 174 V CA -1.042 61.256 62.300 -0.004 0.000 0.872 174 V CB 1.400 33.181 31.823 -0.070 0.000 1.002 174 V HN 0.061 nan 8.190 nan 0.000 0.464 175 P HA -0.028 nan 4.420 nan 0.000 0.230 175 P C 0.566 177.747 177.300 -0.199 0.000 1.158 175 P CA 1.062 64.100 63.100 -0.104 0.000 0.769 175 P CB 0.721 32.373 31.700 -0.081 0.000 0.807 176 T N -2.536 111.849 114.554 -0.283 0.000 2.649 176 T HA 0.530 4.887 4.350 0.012 0.000 0.305 176 T C -1.875 172.606 174.700 -0.366 0.000 1.409 176 T CA -0.398 61.436 62.100 -0.444 0.000 1.021 176 T CB 0.103 68.589 68.868 -0.637 0.000 1.726 176 T HN -0.185 nan 8.240 nan 0.000 0.475 177 F N -0.088 119.779 119.950 -0.140 0.000 2.182 177 F HA -0.037 4.496 4.527 0.012 0.000 0.325 177 F C -0.089 175.613 175.800 -0.164 0.000 1.295 177 F CA -0.594 57.348 58.000 -0.098 0.000 0.940 177 F CB -0.972 38.030 39.000 0.003 0.000 4.103 177 F HN 0.711 nan 8.300 nan 0.000 0.179 178 N N 2.114 120.904 118.700 0.150 0.000 2.499 178 N HA 0.764 5.511 4.740 0.012 0.000 0.281 178 N C -0.944 174.654 175.510 0.146 0.000 1.098 178 N CA -0.613 52.503 53.050 0.110 0.000 0.979 178 N CB 0.899 39.559 38.487 0.289 0.000 1.121 178 N HN 0.389 nan 8.380 nan 0.000 0.466 179 I N 2.172 122.795 120.570 0.088 0.000 2.466 179 I HA 0.322 4.499 4.170 0.012 0.000 0.289 179 I C -0.803 175.443 176.117 0.215 0.000 1.026 179 I CA -0.920 60.462 61.300 0.137 0.000 1.078 179 I CB 1.904 39.971 38.000 0.111 0.000 1.249 179 I HN 0.118 nan 8.210 nan 0.000 0.429 180 V N 6.371 126.440 119.914 0.257 0.000 2.459 180 V HA 0.385 4.512 4.120 0.012 0.000 0.295 180 V C -1.033 175.217 176.094 0.259 0.000 1.029 180 V CA -0.681 61.800 62.300 0.302 0.000 0.874 180 V CB 1.838 33.848 31.823 0.313 0.000 0.985 180 V HN 0.537 nan 8.190 nan 0.000 0.438 181 Y N 3.757 124.103 120.300 0.076 0.000 2.485 181 Y HA 0.848 5.405 4.550 0.012 0.000 0.345 181 Y C -0.229 175.602 175.900 -0.115 0.000 0.998 181 Y CA -0.712 57.334 58.100 -0.089 0.000 1.059 181 Y CB 1.992 40.284 38.460 -0.280 0.000 1.234 181 Y HN 0.777 nan 8.280 nan 0.000 0.461 182 A N 4.233 126.576 122.820 -0.795 0.000 2.566 182 A HA 0.617 4.944 4.320 0.012 0.000 0.297 182 A C -1.974 174.850 177.584 -1.266 0.000 1.059 182 A CA -0.471 51.157 52.037 -0.682 0.000 0.691 182 A CB 1.220 20.031 19.000 -0.315 0.000 1.282 182 A HN 0.810 nan 8.150 nan 0.000 0.401 183 D N -0.257 119.579 120.400 -0.939 0.000 2.592 183 D HA 0.426 5.073 4.640 0.012 0.000 0.263 183 D C 0.728 176.663 176.300 -0.609 0.000 1.132 183 D CA -0.664 52.777 54.000 -0.932 0.000 0.996 183 D CB 0.647 41.206 40.800 -0.400 0.000 1.442 183 D HN 0.482 nan 8.370 nan 0.000 0.486 184 R N -0.286 120.008 120.500 -0.344 0.000 2.280 184 R HA 0.009 4.356 4.340 0.012 0.000 0.207 184 R C 0.590 176.865 176.300 -0.041 0.000 1.043 184 R CA 0.736 56.803 56.100 -0.055 0.000 1.006 184 R CB -0.405 29.944 30.300 0.083 0.000 0.885 184 R HN 0.397 nan 8.270 nan 0.000 0.467 185 E N 0.802 120.965 120.200 -0.061 0.000 2.274 185 E HA -0.016 4.341 4.350 0.012 0.000 0.194 185 E C 1.230 177.802 176.600 -0.046 0.000 0.996 185 E CA 0.999 57.382 56.400 -0.027 0.000 0.840 185 E CB 0.118 29.817 29.700 -0.002 0.000 0.772 185 E HN 0.657 nan 8.360 nan 0.000 0.491 186 G N 1.137 109.886 108.800 -0.084 0.000 2.175 186 G HA2 -0.193 3.774 3.960 0.012 0.000 0.182 186 G HA3 -0.193 3.774 3.960 0.012 0.000 0.182 186 G C 0.263 175.098 174.900 -0.107 0.000 1.003 186 G CA 0.152 45.202 45.100 -0.083 0.000 0.666 186 G HN 0.206 nan 8.290 nan 0.000 0.506 187 T N 1.693 116.166 114.554 -0.135 0.000 2.856 187 T HA 0.606 4.963 4.350 0.012 0.000 0.292 187 T C 0.506 175.112 174.700 -0.157 0.000 0.980 187 T CA 0.514 62.489 62.100 -0.210 0.000 1.091 187 T CB 1.235 69.877 68.868 -0.377 0.000 0.936 187 T HN 0.982 nan 8.240 nan 0.000 0.503 188 I N 0.935 121.415 120.570 -0.150 0.000 2.582 188 I HA 0.822 4.999 4.170 0.012 0.000 0.292 188 I C -0.865 175.242 176.117 -0.017 0.000 1.066 188 I CA -1.007 60.279 61.300 -0.024 0.000 1.053 188 I CB 2.374 40.380 38.000 0.010 0.000 1.241 188 I HN 0.496 nan 8.210 nan 0.000 0.421 189 N N 3.442 122.221 118.700 0.133 0.000 2.277 189 N HA 0.521 5.268 4.740 0.012 0.000 0.286 189 N C -2.099 173.596 175.510 0.309 0.000 1.140 189 N CA -0.532 52.633 53.050 0.192 0.000 0.799 189 N CB 2.134 40.771 38.487 0.249 0.000 1.596 189 N HN 0.714 nan 8.380 nan 0.000 0.473 190 Y N 1.525 121.937 120.300 0.188 0.000 2.391 190 Y HA 0.708 5.265 4.550 0.012 0.000 0.341 190 Y C -1.555 174.465 175.900 0.199 0.000 0.965 190 Y CA -0.569 57.646 58.100 0.191 0.000 1.067 190 Y CB 1.716 40.275 38.460 0.165 0.000 1.199 190 Y HN 0.489 nan 8.280 nan 0.000 0.450 191 S N 6.661 121.927 115.700 -0.723 0.000 2.594 191 S HA 0.329 4.806 4.470 0.012 0.000 0.296 191 S C -1.517 172.690 174.600 -0.654 0.000 1.124 191 S CA -0.601 57.248 58.200 -0.586 0.000 1.011 191 S CB 0.788 63.883 63.200 -0.175 0.000 1.016 191 S HN 0.616 nan 8.310 nan 0.000 0.485 192 F N 4.407 123.973 119.950 -0.640 0.000 2.515 192 F HA 0.381 4.916 4.527 0.012 0.000 0.353 192 F C 0.300 175.967 175.800 -0.222 0.000 1.213 192 F CA -0.542 57.250 58.000 -0.347 0.000 1.194 192 F CB -0.331 38.490 39.000 -0.299 0.000 1.488 192 F HN 0.575 nan 8.300 nan 0.000 0.619 193 N N 3.180 121.685 118.700 -0.326 0.000 2.493 193 N HA 0.769 5.516 4.740 0.012 0.000 0.275 193 N C -0.197 175.135 175.510 -0.298 0.000 1.186 193 N CA 0.526 53.434 53.050 -0.237 0.000 0.978 193 N CB 1.387 39.783 38.487 -0.152 0.000 1.184 193 N HN 0.827 nan 8.380 nan 0.000 0.487 194 G N -0.657 108.029 108.800 -0.189 0.000 2.361 194 G HA2 0.115 4.082 3.960 0.012 0.000 0.305 194 G HA3 0.115 4.082 3.960 0.012 0.000 0.305 194 G C -1.896 172.941 174.900 -0.105 0.000 1.367 194 G CA -0.744 44.248 45.100 -0.179 0.000 0.951 194 G HN 0.496 nan 8.290 nan 0.000 0.615 195 V N 1.172 121.027 119.914 -0.098 0.000 2.294 195 V HA 0.658 4.785 4.120 0.012 0.000 0.272 195 V C 0.717 176.756 176.094 -0.091 0.000 1.027 195 V CA 0.157 62.415 62.300 -0.069 0.000 0.823 195 V CB 0.681 32.468 31.823 -0.061 0.000 1.030 195 V HN 1.609 nan 8.190 nan 0.000 0.457 196 A N 8.557 131.353 122.820 -0.040 0.000 2.271 196 A HA 0.850 5.177 4.320 0.012 0.000 0.317 196 A C -2.531 174.984 177.584 -0.114 0.000 1.245 196 A CA -1.790 50.220 52.037 -0.046 0.000 0.857 196 A CB 0.941 20.015 19.000 0.124 0.000 1.175 196 A HN 0.541 nan 8.150 nan 0.000 0.512 197 P HA 0.158 nan 4.420 nan 0.000 0.275 197 P C -0.792 176.201 177.300 -0.511 0.000 1.227 197 P CA -0.123 62.575 63.100 -0.670 0.000 0.781 197 P CB 0.772 31.448 31.700 -1.707 0.000 0.906 198 K N 3.363 123.515 120.400 -0.413 0.000 2.339 198 K HA 0.251 4.578 4.320 0.012 0.000 0.286 198 K C 0.498 176.923 176.600 -0.293 0.000 1.050 198 K CA -0.056 56.031 56.287 -0.334 0.000 0.956 198 K CB 0.695 32.996 32.500 -0.332 0.000 0.990 198 K HN 0.388 nan 8.250 nan 0.000 0.475 199 R N 0.903 121.157 120.500 -0.411 0.000 2.740 199 R HA 0.287 4.634 4.340 0.012 0.000 0.282 199 R C 0.458 176.788 176.300 0.051 0.000 0.969 199 R CA -0.384 55.483 56.100 -0.388 0.000 0.918 199 R CB 1.637 31.220 30.300 -1.195 0.000 1.175 199 R HN 0.732 nan 8.270 nan 0.000 0.464 200 A N 2.085 125.028 122.820 0.206 0.000 2.016 200 A HA -0.034 4.293 4.320 0.012 0.000 0.217 200 A C 0.217 177.969 177.584 0.279 0.000 1.162 200 A CA 1.075 53.249 52.037 0.228 0.000 0.662 200 A CB -0.166 18.945 19.000 0.186 0.000 0.812 200 A HN 0.789 nan 8.150 nan 0.000 0.450 201 E N -3.553 116.888 120.200 0.403 0.000 2.454 201 E HA 0.517 4.874 4.350 0.012 0.000 0.279 201 E C -0.174 176.750 176.600 0.540 0.000 1.029 201 E CA -0.923 55.693 56.400 0.361 0.000 0.831 201 E CB 0.702 30.528 29.700 0.210 0.000 1.405 201 E HN 1.290 nan 8.360 nan 0.000 0.463 202 G N 1.281 110.255 108.800 0.290 0.000 2.785 202 G HA2 0.009 3.976 3.960 0.012 0.000 0.686 202 G HA3 0.009 3.976 3.960 0.012 0.000 0.686 202 G C -0.874 174.390 174.900 0.607 0.000 1.155 202 G CA -0.200 45.056 45.100 0.260 0.000 0.760 202 G HN 0.932 nan 8.290 nan 0.000 0.624 203 D N 0.311 120.988 120.400 0.463 0.000 2.506 203 D HA 0.558 5.205 4.640 0.012 0.000 0.272 203 D C 1.865 178.518 176.300 0.589 0.000 1.214 203 D CA -0.473 53.807 54.000 0.467 0.000 1.067 203 D CB 0.768 41.739 40.800 0.285 0.000 1.117 203 D HN 0.551 nan 8.370 nan 0.000 0.578 204 I N -0.404 120.437 120.570 0.452 0.000 2.335 204 I HA -0.254 3.923 4.170 0.012 0.000 0.251 204 I C 2.038 178.350 176.117 0.326 0.000 1.129 204 I CA 1.483 63.028 61.300 0.409 0.000 1.402 204 I CB -0.181 38.000 38.000 0.301 0.000 1.069 204 I HN 0.548 nan 8.210 nan 0.000 0.424 205 A N 0.353 123.333 122.820 0.266 0.000 1.930 205 A HA -0.266 4.061 4.320 0.012 0.000 0.217 205 A C 2.142 179.816 177.584 0.150 0.000 1.175 205 A CA 1.561 53.707 52.037 0.181 0.000 0.627 205 A CB -1.032 18.062 19.000 0.156 0.000 0.815 205 A HN 0.584 nan 8.150 nan 0.000 0.443 206 F N -0.823 119.149 119.950 0.036 0.000 2.102 206 F HA -0.138 4.396 4.527 0.012 0.000 0.298 206 F C 1.739 177.383 175.800 -0.260 0.000 1.105 206 F CA 1.469 59.379 58.000 -0.151 0.000 1.239 206 F CB -0.482 38.381 39.000 -0.229 0.000 0.991 206 F HN 0.358 nan 8.300 nan 0.000 0.474 207 W N 0.741 122.020 121.300 -0.035 0.000 2.937 207 W HA 0.038 4.705 4.660 0.011 0.000 0.245 207 W C 2.103 178.530 176.519 -0.154 0.000 1.306 207 W CA 0.493 57.742 57.345 -0.160 0.000 1.470 207 W CB -0.375 29.097 29.460 0.020 0.000 1.132 207 W HN 0.139 nan 8.180 nan 0.000 0.675 208 Q N -0.635 119.193 119.800 0.047 0.000 2.376 208 Q HA 0.131 4.478 4.340 0.012 0.000 0.206 208 Q C 1.623 177.579 176.000 -0.074 0.000 0.921 208 Q CA 0.509 56.324 55.803 0.020 0.000 0.911 208 Q CB 0.132 28.907 28.738 0.061 0.000 1.032 208 Q HN 0.201 nan 8.270 nan 0.000 0.510 209 G N 0.260 108.959 108.800 -0.169 0.000 2.543 209 G HA2 0.436 4.403 3.960 0.012 0.000 0.267 209 G HA3 0.436 4.403 3.960 0.012 0.000 0.267 209 G C -0.608 174.121 174.900 -0.285 0.000 1.406 209 G CA -0.713 44.270 45.100 -0.194 0.000 1.048 209 G HN 0.059 nan 8.290 nan 0.000 0.548 210 L N 0.689 121.754 121.223 -0.264 0.000 2.313 210 L HA 0.269 4.616 4.340 0.012 0.000 0.282 210 L C -0.129 176.481 176.870 -0.434 0.000 1.092 210 L CA -0.496 54.178 54.840 -0.277 0.000 0.831 210 L CB 1.204 43.167 42.059 -0.161 0.000 1.159 210 L HN 0.002 nan 8.230 nan 0.000 0.442 211 V N 5.524 125.104 119.914 -0.556 0.000 2.567 211 V HA 0.249 4.376 4.120 0.012 0.000 0.289 211 V C -2.013 173.905 176.094 -0.295 0.000 1.049 211 V CA -1.837 60.023 62.300 -0.734 0.000 0.969 211 V CB 1.405 32.638 31.823 -0.983 0.000 0.995 211 V HN 0.616 nan 8.190 nan 0.000 0.471 212 P HA 0.081 nan 4.420 nan 0.000 0.263 212 P C 0.630 178.112 177.300 0.302 0.000 1.195 212 P CA 0.403 63.536 63.100 0.056 0.000 0.762 212 P CB 0.472 32.241 31.700 0.116 0.000 0.799 213 G N 2.137 111.078 108.800 0.235 0.000 3.523 213 G HA2 0.027 3.994 3.960 0.012 0.000 0.270 213 G HA3 0.027 3.994 3.960 0.012 0.000 0.270 213 G C 0.097 175.243 174.900 0.410 0.000 1.134 213 G CA -0.204 45.014 45.100 0.196 0.000 0.825 213 G HN 0.496 nan 8.290 nan 0.000 0.534 214 D N -1.007 119.619 120.400 0.377 0.000 2.538 214 D HA 0.214 4.861 4.640 0.012 0.000 0.231 214 D C 0.226 176.621 176.300 0.158 0.000 1.229 214 D CA -0.523 53.681 54.000 0.340 0.000 0.828 214 D CB 0.471 41.401 40.800 0.216 0.000 1.035 214 D HN -0.017 nan 8.370 nan 0.000 0.495 215 S N -0.383 115.416 115.700 0.164 0.000 2.614 215 S HA 0.342 4.819 4.470 0.012 0.000 0.275 215 S C 0.759 175.263 174.600 -0.159 0.000 1.161 215 S CA -0.196 57.940 58.200 -0.107 0.000 0.969 215 S CB 1.346 64.568 63.200 0.037 0.000 1.059 215 S HN 0.100 nan 8.310 nan 0.000 0.482 216 S N 4.237 119.644 115.700 -0.489 0.000 2.507 216 S HA -0.080 4.397 4.470 0.012 0.000 0.235 216 S C 1.692 176.256 174.600 -0.060 0.000 0.988 216 S CA 0.581 58.660 58.200 -0.202 0.000 0.944 216 S CB -0.343 62.718 63.200 -0.232 0.000 0.762 216 S HN 0.765 nan 8.310 nan 0.000 0.526 217 R N 0.069 120.459 120.500 -0.183 0.000 2.152 217 R HA -0.076 4.271 4.340 0.012 0.000 0.232 217 R C 0.709 176.918 176.300 -0.152 0.000 1.117 217 R CA 1.291 57.233 56.100 -0.264 0.000 0.981 217 R CB -0.218 29.759 30.300 -0.537 0.000 0.870 217 R HN 0.579 nan 8.270 nan 0.000 0.451 218 Y N -0.397 120.106 120.300 0.339 0.000 2.485 218 Y HA 0.178 4.735 4.550 0.011 0.000 0.260 218 Y C 0.012 176.297 175.900 0.642 0.000 1.173 218 Y CA -0.529 57.922 58.100 0.586 0.000 1.252 218 Y CB 0.312 39.105 38.460 0.555 0.000 1.123 218 Y HN -0.032 nan 8.280 nan 0.000 0.524 219 L N 3.279 124.757 121.223 0.424 0.000 2.302 219 L HA 0.221 4.568 4.340 0.012 0.000 0.285 219 L C 0.104 177.047 176.870 0.122 0.000 1.090 219 L CA -0.857 54.076 54.840 0.155 0.000 0.866 219 L CB -0.299 41.774 42.059 0.023 0.000 1.244 219 L HN 0.168 nan 8.230 nan 0.000 0.435 220 W N 3.159 124.615 121.300 0.261 0.000 2.161 220 W HA 0.469 5.136 4.660 0.011 0.000 0.344 220 W C 0.077 176.637 176.519 0.068 0.000 1.262 220 W CA -0.132 57.275 57.345 0.103 0.000 1.270 220 W CB 0.069 29.520 29.460 -0.015 0.000 1.126 220 W HN 0.608 nan 8.180 nan 0.000 0.598 221 T N -3.387 111.400 114.554 0.388 0.000 3.131 221 T HA 0.095 4.452 4.350 0.012 0.000 0.283 221 T C -0.079 174.761 174.700 0.233 0.000 0.906 221 T CA -0.191 62.067 62.100 0.262 0.000 0.882 221 T CB 0.434 69.366 68.868 0.107 0.000 1.208 221 T HN 0.348 nan 8.240 nan 0.000 0.561 222 E N 2.526 122.839 120.200 0.188 0.000 2.235 222 E HA 0.632 4.989 4.350 0.012 0.000 0.265 222 E C -0.475 176.100 176.600 -0.043 0.000 0.940 222 E CA -0.335 56.096 56.400 0.051 0.000 0.819 222 E CB 2.081 31.775 29.700 -0.010 0.000 1.206 222 E HN 0.511 nan 8.360 nan 0.000 0.409 223 T N -1.917 112.585 114.554 -0.088 0.000 2.906 223 T HA 0.393 4.750 4.350 0.012 0.000 0.295 223 T C -0.143 174.472 174.700 -0.141 0.000 1.061 223 T CA -0.875 61.142 62.100 -0.140 0.000 1.000 223 T CB 1.146 69.974 68.868 -0.067 0.000 1.103 223 T HN 0.267 nan 8.240 nan 0.000 0.486 224 H N 2.360 121.420 119.070 -0.016 0.000 2.652 224 H HA 0.362 4.925 4.556 0.012 0.000 0.349 224 H C -1.955 173.373 175.328 -0.001 0.000 1.099 224 H CA -0.883 55.172 56.048 0.011 0.000 1.417 224 H CB 1.103 30.886 29.762 0.035 0.000 1.457 224 H HN 0.538 nan 8.280 nan 0.000 0.568 225 P HA -0.011 nan 4.420 nan 0.000 0.280 225 P C 1.029 178.362 177.300 0.056 0.000 1.272 225 P CA -0.627 62.509 63.100 0.060 0.000 0.819 225 P CB 1.519 33.245 31.700 0.042 0.000 1.122 226 L N 1.127 122.355 121.223 0.009 0.000 2.081 226 L HA -0.203 4.144 4.340 0.012 0.000 0.212 226 L C 1.724 178.604 176.870 0.017 0.000 1.080 226 L CA 2.042 56.877 54.840 -0.009 0.000 0.754 226 L CB -1.324 40.702 42.059 -0.054 0.000 0.893 226 L HN 0.285 nan 8.230 nan 0.000 0.433 227 D N -0.427 119.989 120.400 0.026 0.000 2.221 227 D HA -0.190 4.457 4.640 0.012 0.000 0.204 227 D C 1.316 177.656 176.300 0.068 0.000 0.982 227 D CA 1.477 55.502 54.000 0.042 0.000 0.857 227 D CB -0.120 40.700 40.800 0.034 0.000 0.934 227 D HN 0.504 nan 8.370 nan 0.000 0.475 228 D N -0.162 120.285 120.400 0.078 0.000 2.333 228 D HA 0.007 4.654 4.640 0.012 0.000 0.208 228 D C 0.689 177.046 176.300 0.095 0.000 0.984 228 D CA 0.105 54.150 54.000 0.075 0.000 0.873 228 D CB 0.377 41.218 40.800 0.069 0.000 0.935 228 D HN 0.097 nan 8.370 nan 0.000 0.521 229 L N 1.303 122.561 121.223 0.058 0.000 2.375 229 L HA 0.331 4.678 4.340 0.012 0.000 0.271 229 L C -2.094 174.740 176.870 -0.061 0.000 1.107 229 L CA -2.271 52.566 54.840 -0.005 0.000 0.806 229 L CB -0.118 41.967 42.059 0.043 0.000 1.146 229 L HN -0.300 nan 8.230 nan 0.000 0.447 230 P HA 0.181 nan 4.420 nan 0.000 0.263 230 P C -0.629 176.613 177.300 -0.096 0.000 1.195 230 P CA 0.306 63.035 63.100 -0.619 0.000 0.762 230 P CB 0.484 31.522 31.700 -1.103 0.000 0.799 231 R N 1.747 122.336 120.500 0.148 0.000 2.668 231 R HA 0.691 5.038 4.340 0.012 0.000 0.272 231 R C -1.601 174.920 176.300 0.369 0.000 1.019 231 R CA -1.017 55.193 56.100 0.184 0.000 0.894 231 R CB 2.125 32.491 30.300 0.110 0.000 1.228 231 R HN 0.129 nan 8.270 nan 0.000 0.460 232 V N 1.213 121.329 119.914 0.337 0.000 2.623 232 V HA 0.453 4.580 4.120 0.012 0.000 0.304 232 V C -0.642 175.570 176.094 0.197 0.000 1.054 232 V CA -0.662 61.807 62.300 0.281 0.000 0.882 232 V CB 2.323 34.308 31.823 0.270 0.000 1.002 232 V HN 0.803 nan 8.190 nan 0.000 0.424 233 T N 2.965 117.596 114.554 0.128 0.000 2.848 233 T HA 0.391 4.748 4.350 0.012 0.000 0.285 233 T C 0.137 174.835 174.700 -0.003 0.000 0.995 233 T CA -0.590 61.542 62.100 0.053 0.000 0.970 233 T CB 0.891 69.803 68.868 0.074 0.000 0.976 233 T HN 0.809 nan 8.240 nan 0.000 0.441 234 N N 2.308 120.977 118.700 -0.051 0.000 2.689 234 N HA -0.137 4.610 4.740 0.012 0.000 0.263 234 N C -2.367 173.119 175.510 -0.040 0.000 0.987 234 N CA -0.243 52.774 53.050 -0.055 0.000 0.782 234 N CB -0.563 37.882 38.487 -0.070 0.000 0.903 234 N HN 0.456 nan 8.380 nan 0.000 0.547 235 P HA 0.045 nan 4.420 nan 0.000 0.272 235 P C -1.646 175.609 177.300 -0.075 0.000 1.240 235 P CA -1.008 62.047 63.100 -0.074 0.000 0.791 235 P CB 0.550 32.172 31.700 -0.130 0.000 0.978 236 P HA -0.098 nan 4.420 nan 0.000 0.220 236 P C 1.547 178.818 177.300 -0.048 0.000 1.148 236 P CA 1.374 64.439 63.100 -0.059 0.000 0.803 236 P CB -0.554 31.107 31.700 -0.066 0.000 0.782 237 G N -0.245 108.507 108.800 -0.080 0.000 2.559 237 G HA2 0.064 4.031 3.960 0.012 0.000 0.216 237 G HA3 0.064 4.031 3.960 0.012 0.000 0.216 237 G C 1.300 176.249 174.900 0.082 0.000 1.126 237 G CA 0.619 45.713 45.100 -0.011 0.000 0.778 237 G HN 0.465 nan 8.290 nan 0.000 0.543 238 G N -1.187 107.619 108.800 0.010 0.000 2.168 238 G HA2 -0.158 3.809 3.960 0.012 0.000 0.263 238 G HA3 -0.158 3.809 3.960 0.012 0.000 0.263 238 G C 0.186 175.176 174.900 0.151 0.000 0.977 238 G CA 0.746 45.883 45.100 0.062 0.000 0.659 238 G HN 1.507 nan 8.290 nan 0.000 0.533 239 F N -2.238 117.711 119.950 -0.001 0.000 2.686 239 F HA 0.844 5.378 4.527 0.011 0.000 0.311 239 F C -1.093 174.738 175.800 0.051 0.000 1.128 239 F CA -1.696 56.308 58.000 0.007 0.000 0.946 239 F CB 1.550 40.526 39.000 -0.041 0.000 1.336 239 F HN 0.334 nan 8.300 nan 0.000 0.457 240 V N 1.982 122.039 119.914 0.238 0.000 2.925 240 V HA 0.765 4.892 4.120 0.012 0.000 0.311 240 V C -1.599 174.731 176.094 0.394 0.000 1.104 240 V CA -0.217 62.164 62.300 0.135 0.000 0.954 240 V CB 2.223 34.146 31.823 0.165 0.000 1.022 240 V HN 1.162 nan 8.190 nan 0.000 0.427 241 Q N 4.017 123.978 119.800 0.267 0.000 2.575 241 Q HA 0.589 4.936 4.340 0.012 0.000 0.290 241 Q C -1.486 174.571 176.000 0.095 0.000 0.963 241 Q CA -0.663 55.359 55.803 0.364 0.000 0.783 241 Q CB 1.722 30.846 28.738 0.642 0.000 1.467 241 Q HN 0.604 nan 8.270 nan 0.000 0.402 242 N N 0.281 119.065 118.700 0.140 0.000 2.554 242 N HA 0.299 5.046 4.740 0.012 0.000 0.271 242 N C -1.508 174.039 175.510 0.062 0.000 1.081 242 N CA -0.237 52.841 53.050 0.046 0.000 0.994 242 N CB 1.987 40.497 38.487 0.038 0.000 1.641 242 N HN 0.612 nan 8.380 nan 0.000 0.511 243 S N 2.415 118.140 115.700 0.042 0.000 2.668 243 S HA 0.294 4.771 4.470 0.012 0.000 0.244 243 S C 0.385 174.988 174.600 0.007 0.000 1.140 243 S CA -0.416 57.788 58.200 0.006 0.000 1.134 243 S CB -0.585 62.650 63.200 0.060 0.000 0.954 243 S HN 0.822 nan 8.310 nan 0.000 0.490 244 N N 1.635 120.346 118.700 0.018 0.000 2.965 244 N HA -0.147 4.601 4.740 0.012 0.000 0.232 244 N C -0.632 174.870 175.510 -0.012 0.000 0.913 244 N CA 1.060 54.128 53.050 0.031 0.000 0.981 244 N CB -0.756 37.761 38.487 0.049 0.000 1.077 244 N HN 0.618 nan 8.380 nan 0.000 0.589 245 D N 0.724 121.076 120.400 -0.080 0.000 2.358 245 D HA 0.294 4.941 4.640 0.012 0.000 0.244 245 D C -2.384 173.760 176.300 -0.259 0.000 1.163 245 D CA -1.262 52.595 54.000 -0.238 0.000 0.945 245 D CB 0.038 40.580 40.800 -0.431 0.000 1.152 245 D HN -0.087 nan 8.370 nan 0.000 0.451 246 P HA 0.074 nan 4.420 nan 0.000 0.269 246 P C -1.817 175.168 177.300 -0.525 0.000 1.217 246 P CA -0.781 62.107 63.100 -0.354 0.000 0.783 246 P CB -0.113 31.479 31.700 -0.180 0.000 0.898 247 P HA -0.045 nan 4.420 nan 0.000 0.263 247 P C 0.075 177.175 177.300 -0.333 0.000 1.386 247 P CA 0.636 63.422 63.100 -0.523 0.000 0.797 247 P CB -0.487 30.881 31.700 -0.555 0.000 1.381 248 W N 0.597 122.049 121.300 0.254 0.000 2.770 248 W HA 0.051 4.719 4.660 0.014 0.000 0.256 248 W C 0.770 177.489 176.519 0.333 0.000 1.291 248 W CA 0.413 57.980 57.345 0.369 0.000 1.396 248 W CB -0.085 29.627 29.460 0.421 0.000 1.114 248 W HN 0.065 nan 8.180 nan 0.000 0.637 249 T N -3.377 111.444 114.554 0.444 0.000 3.658 249 T HA 0.182 4.539 4.350 0.012 0.000 0.245 249 T C -1.672 173.128 174.700 0.166 0.000 1.292 249 T CA -1.404 60.920 62.100 0.372 0.000 1.598 249 T CB 0.739 69.912 68.868 0.509 0.000 0.861 249 T HN -0.200 nan 8.240 nan 0.000 0.663 250 P HA 0.125 nan 4.420 nan 0.000 0.233 250 P C 0.485 177.691 177.300 -0.157 0.000 1.167 250 P CA 0.714 63.686 63.100 -0.213 0.000 0.770 250 P CB 0.411 31.860 31.700 -0.419 0.000 0.837 251 T N -2.095 112.373 114.554 -0.142 0.000 2.739 251 T HA 0.442 4.799 4.350 0.012 0.000 0.303 251 T C -2.711 171.963 174.700 -0.043 0.000 1.389 251 T CA -0.687 61.136 62.100 -0.461 0.000 1.001 251 T CB 1.184 69.740 68.868 -0.521 0.000 1.436 251 T HN -0.022 nan 8.240 nan 0.000 0.500 252 W N 4.305 125.368 121.300 -0.394 0.000 3.132 252 W HA 0.430 5.096 4.660 0.010 0.000 0.337 252 W C -2.757 173.739 176.519 -0.038 0.000 1.082 252 W CA -1.861 55.457 57.345 -0.045 0.000 1.242 252 W CB 1.841 31.421 29.460 0.200 0.000 1.354 252 W HN 0.601 nan 8.180 nan 0.000 0.461 253 P HA 0.083 nan 4.420 nan 0.000 0.272 253 P C 0.078 177.166 177.300 -0.353 0.000 1.223 253 P CA 0.097 62.804 63.100 -0.656 0.000 0.784 253 P CB 1.448 32.816 31.700 -0.552 0.000 0.923 254 V N -0.433 119.278 119.914 -0.338 0.000 3.096 254 V HA 0.236 4.363 4.120 0.012 0.000 0.306 254 V C 1.241 177.202 176.094 -0.223 0.000 1.088 254 V CA 0.752 62.928 62.300 -0.206 0.000 1.129 254 V CB -0.098 31.673 31.823 -0.088 0.000 1.014 254 V HN 0.795 nan 8.190 nan 0.000 0.486 255 T N -0.780 113.602 114.554 -0.287 0.000 3.044 255 T HA 0.409 4.766 4.350 0.012 0.000 0.260 255 T C 0.002 174.695 174.700 -0.012 0.000 1.019 255 T CA 0.493 62.498 62.100 -0.159 0.000 0.921 255 T CB -0.466 68.334 68.868 -0.113 0.000 1.053 255 T HN 1.367 nan 8.240 nan 0.000 0.533 256 Y N -0.786 119.606 120.300 0.152 0.000 2.779 256 Y HA 0.716 5.272 4.550 0.011 0.000 0.340 256 Y C -0.776 175.260 175.900 0.227 0.000 1.252 256 Y CA -1.526 56.694 58.100 0.199 0.000 1.072 256 Y CB 0.651 39.325 38.460 0.357 0.000 1.343 256 Y HN 0.159 nan 8.280 nan 0.000 0.450 257 T N -3.231 111.630 114.554 0.511 0.000 2.887 257 T HA 0.530 4.887 4.350 0.012 0.000 0.292 257 T C -2.665 172.103 174.700 0.113 0.000 1.087 257 T CA -2.467 59.799 62.100 0.277 0.000 1.009 257 T CB 2.304 71.212 68.868 0.066 0.000 1.203 257 T HN 0.349 nan 8.240 nan 0.000 0.518 258 P HA -0.121 nan 4.420 nan 0.000 0.217 258 P C 1.222 178.329 177.300 -0.320 0.000 1.148 258 P CA 1.276 63.802 63.100 -0.957 0.000 0.828 258 P CB -0.085 30.931 31.700 -1.140 0.000 0.783 259 K N -0.979 119.308 120.400 -0.189 0.000 2.442 259 K HA -0.086 4.241 4.320 0.012 0.000 0.198 259 K C 0.867 177.383 176.600 -0.141 0.000 1.042 259 K CA 1.241 57.453 56.287 -0.126 0.000 0.958 259 K CB -0.572 31.869 32.500 -0.098 0.000 0.766 259 K HN 0.080 nan 8.250 nan 0.000 0.474 260 D N 0.059 120.350 120.400 -0.181 0.000 2.349 260 D HA 0.068 4.715 4.640 0.012 0.000 0.224 260 D C -0.457 175.312 176.300 -0.885 0.000 1.029 260 D CA 0.593 54.299 54.000 -0.490 0.000 0.879 260 D CB 0.065 40.511 40.800 -0.589 0.000 0.906 260 D HN 0.143 nan 8.370 nan 0.000 0.528 261 F N 0.236 120.114 119.950 -0.121 0.000 2.613 261 F HA 0.332 4.866 4.527 0.011 0.000 0.314 261 F C -1.988 173.700 175.800 -0.188 0.000 1.075 261 F CA -2.586 55.324 58.000 -0.151 0.000 0.945 261 F CB 0.965 39.893 39.000 -0.119 0.000 1.310 261 F HN -0.343 nan 8.300 nan 0.000 0.467 262 P HA 0.020 nan 4.420 nan 0.000 0.265 262 P C 0.469 177.588 177.300 -0.303 0.000 1.193 262 P CA 0.133 63.034 63.100 -0.331 0.000 0.765 262 P CB 1.003 32.258 31.700 -0.742 0.000 0.823 263 S N 1.927 117.546 115.700 -0.136 0.000 2.584 263 S HA -0.191 4.286 4.470 0.012 0.000 0.240 263 S C 1.269 175.942 174.600 0.122 0.000 0.975 263 S CA 0.593 58.810 58.200 0.027 0.000 0.949 263 S CB -1.217 62.042 63.200 0.099 0.000 0.761 263 S HN 0.620 nan 8.310 nan 0.000 0.536 264 Y N -0.895 119.506 120.300 0.169 0.000 2.458 264 Y HA 0.553 5.110 4.550 0.011 0.000 0.256 264 Y C 1.372 177.337 175.900 0.109 0.000 1.159 264 Y CA -1.190 57.015 58.100 0.175 0.000 1.261 264 Y CB -0.462 38.081 38.460 0.137 0.000 1.119 264 Y HN 0.129 nan 8.280 nan 0.000 0.524 265 L N 0.661 121.883 121.223 -0.002 0.000 2.068 265 L HA 0.274 4.621 4.340 0.012 0.000 0.204 265 L C 1.024 177.958 176.870 0.106 0.000 1.076 265 L CA 0.929 55.792 54.840 0.038 0.000 0.753 265 L CB -0.202 41.750 42.059 -0.178 0.000 0.910 265 L HN 0.391 nan 8.230 nan 0.000 0.439 266 A N -1.106 121.761 122.820 0.079 0.000 2.556 266 A HA 0.672 4.999 4.320 0.012 0.000 0.294 266 A C -2.574 175.168 177.584 0.264 0.000 1.091 266 A CA -1.110 50.989 52.037 0.102 0.000 0.704 266 A CB 1.171 19.998 19.000 -0.289 0.000 1.300 266 A HN -0.137 nan 8.150 nan 0.000 0.406 267 P HA 0.297 nan 4.420 nan 0.000 0.276 267 P C -0.991 176.578 177.300 0.448 0.000 1.252 267 P CA -0.048 63.225 63.100 0.288 0.000 0.802 267 P CB 0.772 32.595 31.700 0.204 0.000 1.035 268 Q N -0.128 119.896 119.800 0.373 0.000 2.324 268 Q HA 0.187 4.535 4.340 0.012 0.000 0.373 268 Q C 0.047 176.242 176.000 0.325 0.000 0.909 268 Q CA -0.285 55.769 55.803 0.417 0.000 1.135 268 Q CB 0.348 29.231 28.738 0.241 0.000 1.313 268 Q HN 0.514 nan 8.270 nan 0.000 0.417 269 T N -1.809 112.894 114.554 0.249 0.000 2.874 269 T HA 0.440 4.797 4.350 0.012 0.000 0.281 269 T C -2.282 172.358 174.700 -0.099 0.000 0.994 269 T CA -1.895 60.275 62.100 0.116 0.000 1.015 269 T CB 0.946 69.862 68.868 0.080 0.000 1.028 269 T HN -0.009 nan 8.240 nan 0.000 0.523 270 P HA 0.113 nan 4.420 nan 0.000 0.268 270 P C -0.523 176.292 177.300 -0.808 0.000 1.204 270 P CA -0.179 62.229 63.100 -1.153 0.000 0.768 270 P CB 0.161 31.520 31.700 -0.569 0.000 0.842 271 H N 0.251 118.537 119.070 -1.307 0.000 2.848 271 H HA 0.118 4.681 4.556 0.013 0.000 0.341 271 H C 1.130 176.273 175.328 -0.309 0.000 1.060 271 H CA -0.297 55.459 56.048 -0.486 0.000 1.444 271 H CB 0.016 29.670 29.762 -0.180 0.000 1.446 271 H HN 0.395 nan 8.280 nan 0.000 0.583 272 S N 2.358 118.054 115.700 -0.007 0.000 2.589 272 S HA 0.043 4.520 4.470 0.012 0.000 0.265 272 S C 1.629 176.289 174.600 0.100 0.000 1.342 272 S CA -0.722 57.505 58.200 0.044 0.000 1.005 272 S CB 0.557 63.802 63.200 0.075 0.000 0.909 272 S HN 0.612 nan 8.310 nan 0.000 0.555 273 L N 0.465 121.768 121.223 0.133 0.000 2.191 273 L HA -0.076 4.271 4.340 0.012 0.000 0.212 273 L C 2.985 179.964 176.870 0.182 0.000 1.103 273 L CA 1.575 56.511 54.840 0.161 0.000 0.769 273 L CB -0.561 41.612 42.059 0.191 0.000 0.908 273 L HN 0.821 nan 8.230 nan 0.000 0.438 274 R N 0.616 121.228 120.500 0.187 0.000 2.075 274 R HA -0.145 4.202 4.340 0.012 0.000 0.232 274 R C 2.352 178.804 176.300 0.253 0.000 1.126 274 R CA 1.383 57.617 56.100 0.223 0.000 0.963 274 R CB -0.207 30.190 30.300 0.163 0.000 0.858 274 R HN 0.286 nan 8.270 nan 0.000 0.435 275 A N 0.722 123.654 122.820 0.187 0.000 1.933 275 A HA -0.176 4.151 4.320 0.012 0.000 0.218 275 A C 2.040 179.750 177.584 0.210 0.000 1.175 275 A CA 1.325 53.473 52.037 0.186 0.000 0.628 275 A CB -0.399 18.660 19.000 0.098 0.000 0.814 275 A HN 0.512 nan 8.150 nan 0.000 0.444 276 Q N -1.011 118.904 119.800 0.192 0.000 2.119 276 Q HA -0.178 4.169 4.340 0.012 0.000 0.201 276 Q C 2.287 178.350 176.000 0.105 0.000 0.972 276 Q CA 1.285 57.181 55.803 0.155 0.000 0.847 276 Q CB -0.154 28.675 28.738 0.152 0.000 0.903 276 Q HN 0.595 nan 8.270 nan 0.000 0.433 277 Q N -0.042 119.843 119.800 0.143 0.000 2.084 277 Q HA -0.136 4.211 4.340 0.012 0.000 0.202 277 Q C 2.208 178.252 176.000 0.073 0.000 0.978 277 Q CA 1.217 57.083 55.803 0.105 0.000 0.844 277 Q CB -0.350 28.495 28.738 0.178 0.000 0.898 277 Q HN 0.242 nan 8.270 nan 0.000 0.426 278 S N -0.091 115.742 115.700 0.221 0.000 2.353 278 S HA -0.135 4.342 4.470 0.012 0.000 0.222 278 S C 2.062 176.736 174.600 0.124 0.000 1.035 278 S CA 1.533 59.923 58.200 0.316 0.000 1.025 278 S CB -0.164 63.374 63.200 0.564 0.000 0.902 278 S HN 0.203 nan 8.310 nan 0.000 0.440 279 V N 2.080 122.056 119.914 0.102 0.000 2.343 279 V HA -0.136 3.991 4.120 0.012 0.000 0.247 279 V C 2.736 178.712 176.094 -0.198 0.000 1.051 279 V CA 2.019 64.326 62.300 0.012 0.000 1.036 279 V CB -0.733 31.109 31.823 0.031 0.000 0.654 279 V HN 0.426 nan 8.190 nan 0.000 0.451 280 R N -0.443 119.953 120.500 -0.174 0.000 2.073 280 R HA -0.084 4.263 4.340 0.012 0.000 0.234 280 R C 2.328 178.468 176.300 -0.267 0.000 1.134 280 R CA 1.429 57.406 56.100 -0.205 0.000 0.952 280 R CB -0.452 29.765 30.300 -0.138 0.000 0.850 280 R HN 0.418 nan 8.270 nan 0.000 0.433 281 L N 0.028 121.071 121.223 -0.300 0.000 2.079 281 L HA -0.220 4.127 4.340 0.012 0.000 0.210 281 L C 2.560 179.070 176.870 -0.601 0.000 1.081 281 L CA 1.071 55.669 54.840 -0.404 0.000 0.752 281 L CB -0.295 41.511 42.059 -0.421 0.000 0.896 281 L HN 0.226 nan 8.230 nan 0.000 0.433 282 M N -0.606 118.498 119.600 -0.827 0.000 2.160 282 M HA -0.085 4.403 4.480 0.012 0.000 0.264 282 M C 2.746 178.540 176.300 -0.842 0.000 1.073 282 M CA 1.916 56.553 55.300 -1.104 0.000 1.142 282 M CB -1.066 30.424 32.600 -1.849 0.000 1.358 282 M HN 0.369 nan 8.290 nan 0.000 0.422 283 S N -0.050 115.238 115.700 -0.686 0.000 2.402 283 S HA -0.115 4.362 4.470 0.012 0.000 0.229 283 S C 1.639 176.175 174.600 -0.106 0.000 1.021 283 S CA 1.168 59.267 58.200 -0.169 0.000 0.974 283 S CB -0.552 62.715 63.200 0.112 0.000 0.800 283 S HN 0.532 nan 8.310 nan 0.000 0.484 284 E N 1.212 121.307 120.200 -0.176 0.000 2.427 284 E HA 0.136 4.493 4.350 0.012 0.000 0.196 284 E C -0.286 176.236 176.600 -0.129 0.000 1.028 284 E CA 0.098 56.424 56.400 -0.123 0.000 0.864 284 E CB -0.012 29.611 29.700 -0.130 0.000 0.813 284 E HN 0.631 nan 8.360 nan 0.000 0.514 285 N N 0.427 119.018 118.700 -0.182 0.000 2.370 285 N HA 0.217 4.964 4.740 0.012 0.000 0.303 285 N C -1.012 174.421 175.510 -0.130 0.000 1.103 285 N CA -0.486 52.470 53.050 -0.157 0.000 0.848 285 N CB 1.544 39.914 38.487 -0.195 0.000 1.235 285 N HN -0.130 nan 8.380 nan 0.000 0.496 286 D N -0.556 119.788 120.400 -0.094 0.000 2.566 286 D HA 0.317 4.964 4.640 0.012 0.000 0.254 286 D C -1.070 175.189 176.300 -0.068 0.000 1.090 286 D CA -0.407 53.551 54.000 -0.071 0.000 1.034 286 D CB 1.051 41.822 40.800 -0.048 0.000 1.434 286 D HN 0.510 nan 8.370 nan 0.000 0.509 287 D N -0.006 120.359 120.400 -0.058 0.000 2.686 287 D HA -0.181 4.466 4.640 0.012 0.000 0.235 287 D C -0.332 175.929 176.300 -0.065 0.000 1.160 287 D CA 0.540 54.506 54.000 -0.056 0.000 0.645 287 D CB -0.919 39.853 40.800 -0.047 0.000 1.039 287 D HN 0.244 nan 8.370 nan 0.000 0.423 288 L N 0.110 121.286 121.223 -0.079 0.000 2.456 288 L HA 0.296 4.643 4.340 0.012 0.000 0.272 288 L C 1.420 178.241 176.870 -0.083 0.000 1.189 288 L CA 0.335 55.127 54.840 -0.080 0.000 0.846 288 L CB 0.608 42.609 42.059 -0.098 0.000 1.111 288 L HN 0.195 nan 8.230 nan 0.000 0.475 289 T N -0.764 113.754 114.554 -0.060 0.000 2.930 289 T HA 0.307 4.664 4.350 0.012 0.000 0.290 289 T C 0.588 175.261 174.700 -0.045 0.000 1.052 289 T CA -0.906 61.156 62.100 -0.063 0.000 1.017 289 T CB 1.655 70.494 68.868 -0.049 0.000 1.137 289 T HN 0.386 nan 8.240 nan 0.000 0.511 290 L N 0.813 122.000 121.223 -0.060 0.000 2.042 290 L HA 0.028 4.375 4.340 0.012 0.000 0.210 290 L C 2.329 179.198 176.870 -0.001 0.000 1.076 290 L CA 2.002 56.826 54.840 -0.027 0.000 0.749 290 L CB -1.145 40.888 42.059 -0.043 0.000 0.893 290 L HN 0.808 nan 8.230 nan 0.000 0.432 291 E N -0.576 119.592 120.200 -0.054 0.000 2.051 291 E HA -0.241 4.116 4.350 0.012 0.000 0.192 291 E C 2.324 178.894 176.600 -0.050 0.000 0.991 291 E CA 1.355 57.703 56.400 -0.087 0.000 0.799 291 E CB -0.318 29.332 29.700 -0.083 0.000 0.748 291 E HN 0.291 nan 8.360 nan 0.000 0.449 292 R N -0.060 120.428 120.500 -0.021 0.000 2.092 292 R HA -0.081 4.266 4.340 0.012 0.000 0.231 292 R C 1.989 178.302 176.300 0.023 0.000 1.119 292 R CA 1.043 57.132 56.100 -0.018 0.000 0.970 292 R CB -0.888 29.395 30.300 -0.028 0.000 0.864 292 R HN 0.234 nan 8.270 nan 0.000 0.440 293 F N 0.454 120.334 119.950 -0.116 0.000 2.095 293 F HA -0.159 4.375 4.527 0.012 0.000 0.298 293 F C 1.943 177.720 175.800 -0.038 0.000 1.104 293 F CA 1.978 59.925 58.000 -0.088 0.000 1.232 293 F CB -0.266 38.686 39.000 -0.079 0.000 0.987 293 F HN 0.022 nan 8.300 nan 0.000 0.475 294 M N -0.337 119.240 119.600 -0.039 0.000 2.159 294 M HA -0.166 4.321 4.480 0.012 0.000 0.263 294 M C 2.411 178.617 176.300 -0.157 0.000 1.063 294 M CA 1.652 56.817 55.300 -0.225 0.000 1.110 294 M CB -0.738 31.669 32.600 -0.322 0.000 1.374 294 M HN 0.260 nan 8.290 nan 0.000 0.411 295 A N 0.400 123.162 122.820 -0.097 0.000 1.972 295 A HA -0.106 4.221 4.320 0.012 0.000 0.219 295 A C 2.089 179.632 177.584 -0.068 0.000 1.169 295 A CA 1.303 53.300 52.037 -0.066 0.000 0.635 295 A CB -0.851 18.113 19.000 -0.061 0.000 0.810 295 A HN 0.464 nan 8.150 nan 0.000 0.446 296 L N -0.925 120.250 121.223 -0.081 0.000 2.156 296 L HA -0.163 4.184 4.340 0.012 0.000 0.208 296 L C 2.814 179.691 176.870 0.011 0.000 1.095 296 L CA 1.178 55.977 54.840 -0.069 0.000 0.770 296 L CB -0.442 41.528 42.059 -0.147 0.000 0.914 296 L HN 0.467 nan 8.230 nan 0.000 0.439 297 Q N 0.540 120.341 119.800 0.001 0.000 2.226 297 Q HA -0.185 4.162 4.340 0.012 0.000 0.204 297 Q C 1.959 178.042 176.000 0.138 0.000 0.975 297 Q CA 1.371 57.189 55.803 0.025 0.000 0.866 297 Q CB 0.018 28.667 28.738 -0.149 0.000 0.915 297 Q HN 0.377 nan 8.270 nan 0.000 0.440 298 L N 0.744 122.000 121.223 0.055 0.000 2.610 298 L HA 0.053 4.400 4.340 0.012 0.000 0.232 298 L C 0.784 177.620 176.870 -0.058 0.000 1.149 298 L CA 0.499 55.362 54.840 0.040 0.000 0.872 298 L CB -0.528 41.537 42.059 0.010 0.000 0.992 298 L HN -0.148 nan 8.230 nan 0.000 0.447 299 S N 0.562 116.263 115.700 0.002 0.000 2.593 299 S HA -0.044 4.433 4.470 0.012 0.000 0.300 299 S C 0.682 175.362 174.600 0.134 0.000 1.267 299 S CA 0.118 58.311 58.200 -0.013 0.000 1.065 299 S CB -0.395 62.831 63.200 0.042 0.000 0.807 299 S HN 0.610 nan 8.310 nan 0.000 0.499 300 H N 0.548 119.724 119.070 0.177 0.000 2.901 300 H HA 0.460 5.023 4.556 0.012 0.000 0.227 300 H C -0.155 175.295 175.328 0.203 0.000 1.390 300 H CA -0.946 55.258 56.048 0.261 0.000 1.120 300 H CB 0.186 30.126 29.762 0.297 0.000 2.131 300 H HN 0.324 nan 8.280 nan 0.000 0.549 301 R N 1.633 122.297 120.500 0.273 0.000 2.490 301 R HA 0.398 4.745 4.340 0.012 0.000 0.280 301 R C -0.038 176.232 176.300 -0.051 0.000 1.077 301 R CA 0.098 56.210 56.100 0.020 0.000 1.065 301 R CB 0.702 30.997 30.300 -0.009 0.000 1.003 301 R HN 0.540 nan 8.270 nan 0.000 0.470 302 A N 4.966 127.528 122.820 -0.431 0.000 3.091 302 A HA 0.191 4.518 4.320 0.012 0.000 0.264 302 A C 0.984 178.439 177.584 -0.215 0.000 1.673 302 A CA -0.556 51.232 52.037 -0.415 0.000 1.362 302 A CB -0.376 18.061 19.000 -0.938 0.000 1.137 302 A HN 0.707 nan 8.150 nan 0.000 0.617 303 V N 1.429 121.339 119.914 -0.007 0.000 2.380 303 V HA -0.349 3.778 4.120 0.012 0.000 0.251 303 V C 2.460 178.618 176.094 0.106 0.000 1.063 303 V CA 2.576 64.897 62.300 0.036 0.000 1.055 303 V CB -0.827 31.060 31.823 0.107 0.000 0.657 303 V HN 0.936 nan 8.190 nan 0.000 0.455 304 M N -0.213 119.524 119.600 0.229 0.000 2.279 304 M HA -0.127 4.360 4.480 0.012 0.000 0.264 304 M C 2.085 178.590 176.300 0.342 0.000 1.062 304 M CA 1.800 57.341 55.300 0.402 0.000 1.099 304 M CB -0.222 32.739 32.600 0.603 0.000 1.394 304 M HN 0.373 nan 8.290 nan 0.000 0.426 305 A N 0.198 123.003 122.820 -0.025 0.000 1.930 305 A HA -0.180 4.147 4.320 0.012 0.000 0.217 305 A C 1.694 179.175 177.584 -0.171 0.000 1.175 305 A CA 1.907 53.719 52.037 -0.376 0.000 0.627 305 A CB -0.768 17.646 19.000 -0.978 0.000 0.815 305 A HN 0.517 nan 8.150 nan 0.000 0.443 306 D N -0.409 119.912 120.400 -0.132 0.000 2.178 306 D HA -0.103 4.544 4.640 0.012 0.000 0.201 306 D C 1.813 178.171 176.300 0.097 0.000 0.980 306 D CA 0.818 54.788 54.000 -0.049 0.000 0.842 306 D CB -0.170 40.605 40.800 -0.043 0.000 0.948 306 D HN 0.352 nan 8.370 nan 0.000 0.472 307 R N 0.066 120.660 120.500 0.157 0.000 2.276 307 R HA 0.060 4.407 4.340 0.012 0.000 0.196 307 R C 1.786 178.101 176.300 0.025 0.000 0.961 307 R CA 0.673 56.899 56.100 0.210 0.000 1.024 307 R CB -0.109 30.384 30.300 0.321 0.000 0.940 307 R HN 0.304 nan 8.270 nan 0.000 0.480 308 T N -2.867 111.724 114.554 0.062 0.000 3.075 308 T HA 0.208 4.565 4.350 0.012 0.000 0.251 308 T C 2.026 176.650 174.700 -0.127 0.000 0.979 308 T CA -0.348 61.728 62.100 -0.039 0.000 1.033 308 T CB -0.247 68.648 68.868 0.045 0.000 1.104 308 T HN -0.058 nan 8.240 nan 0.000 0.473 309 L N 1.433 122.594 121.223 -0.102 0.000 2.081 309 L HA -0.003 4.344 4.340 0.012 0.000 0.212 309 L C -0.558 176.251 176.870 -0.101 0.000 1.080 309 L CA 1.635 56.391 54.840 -0.139 0.000 0.754 309 L CB -1.774 40.206 42.059 -0.131 0.000 0.893 309 L HN 0.246 nan 8.230 nan 0.000 0.433 310 P HA -0.168 nan 4.420 nan 0.000 0.216 310 P C 0.849 178.140 177.300 -0.014 0.000 1.150 310 P CA 1.494 64.591 63.100 -0.004 0.000 0.843 310 P CB 0.049 31.800 31.700 0.084 0.000 0.787 311 D N -1.913 118.461 120.400 -0.043 0.000 2.240 311 D HA -0.015 4.632 4.640 0.012 0.000 0.206 311 D C 1.772 178.033 176.300 -0.065 0.000 0.963 311 D CA 0.436 54.415 54.000 -0.035 0.000 0.863 311 D CB -0.700 40.080 40.800 -0.033 0.000 0.973 311 D HN 0.035 nan 8.370 nan 0.000 0.501 312 L N 0.733 121.873 121.223 -0.138 0.000 2.044 312 L HA 0.001 4.348 4.340 0.012 0.000 0.205 312 L C 2.050 178.823 176.870 -0.162 0.000 1.075 312 L CA 1.225 55.943 54.840 -0.203 0.000 0.747 312 L CB -0.329 41.454 42.059 -0.459 0.000 0.903 312 L HN -0.060 nan 8.230 nan 0.000 0.435 313 I N -0.031 120.454 120.570 -0.142 0.000 2.127 313 I HA -0.247 3.930 4.170 0.012 0.000 0.241 313 I C -0.261 175.818 176.117 -0.062 0.000 1.075 313 I CA 1.545 62.785 61.300 -0.100 0.000 1.334 313 I CB -1.629 36.324 38.000 -0.078 0.000 1.040 313 I HN 0.263 nan 8.210 nan 0.000 0.405 314 P HA -0.179 nan 4.420 nan 0.000 0.215 314 P C 1.440 178.728 177.300 -0.020 0.000 1.153 314 P CA 1.870 64.956 63.100 -0.024 0.000 0.853 314 P CB -0.032 31.661 31.700 -0.012 0.000 0.788 315 A N -0.179 122.627 122.820 -0.023 0.000 1.930 315 A HA -0.049 4.279 4.320 0.012 0.000 0.217 315 A C 2.278 179.854 177.584 -0.014 0.000 1.175 315 A CA 1.866 53.897 52.037 -0.010 0.000 0.627 315 A CB -1.519 17.480 19.000 -0.001 0.000 0.815 315 A HN 0.195 nan 8.150 nan 0.000 0.443 316 A N -0.964 121.835 122.820 -0.035 0.000 2.014 316 A HA 0.112 4.439 4.320 0.012 0.000 0.218 316 A C 1.804 179.375 177.584 -0.022 0.000 1.163 316 A CA 1.224 53.241 52.037 -0.033 0.000 0.652 316 A CB -0.357 18.603 19.000 -0.067 0.000 0.808 316 A HN 0.365 nan 8.150 nan 0.000 0.449 317 L N 0.109 121.318 121.223 -0.023 0.000 2.376 317 L HA -0.036 4.311 4.340 0.012 0.000 0.219 317 L C 2.111 178.976 176.870 -0.007 0.000 1.133 317 L CA 1.211 56.042 54.840 -0.015 0.000 0.816 317 L CB -0.581 41.469 42.059 -0.016 0.000 0.933 317 L HN 0.694 nan 8.230 nan 0.000 0.449 318 I N -4.626 115.942 120.570 -0.004 0.000 3.728 318 I HA 0.101 4.278 4.170 0.012 0.000 0.307 318 I C 0.721 176.840 176.117 0.004 0.000 1.276 318 I CA -0.118 61.183 61.300 0.001 0.000 1.285 318 I CB -0.172 37.831 38.000 0.005 0.000 1.038 318 I HN 0.006 nan 8.210 nan 0.000 0.445 319 D N 3.682 124.084 120.400 0.004 0.000 2.389 319 D HA 0.081 4.728 4.640 0.012 0.000 0.247 319 D C -1.333 174.970 176.300 0.006 0.000 1.128 319 D CA -1.430 52.574 54.000 0.007 0.000 0.884 319 D CB 1.769 42.575 40.800 0.009 0.000 1.194 319 D HN 0.076 nan 8.370 nan 0.000 0.441 320 P HA -0.092 nan 4.420 nan 0.000 0.219 320 P C 0.338 177.641 177.300 0.006 0.000 1.150 320 P CA 0.331 63.434 63.100 0.006 0.000 0.814 320 P CB 0.223 31.928 31.700 0.007 0.000 0.787 321 D N 1.911 122.316 120.400 0.008 0.000 2.389 321 D HA -0.010 4.637 4.640 0.012 0.000 0.263 321 D C -1.025 175.278 176.300 0.005 0.000 1.255 321 D CA -1.813 52.191 54.000 0.008 0.000 0.914 321 D CB 0.777 41.584 40.800 0.011 0.000 1.116 321 D HN 0.131 nan 8.370 nan 0.000 0.502 322 P HA -0.161 nan 4.420 nan 0.000 0.225 322 P C 0.988 178.289 177.300 0.002 0.000 1.148 322 P CA 0.772 63.873 63.100 0.002 0.000 0.779 322 P CB 0.582 32.283 31.700 0.002 0.000 0.780 323 E N 0.349 120.552 120.200 0.004 0.000 2.072 323 E HA -0.081 4.276 4.350 0.012 0.000 0.190 323 E C 1.995 178.598 176.600 0.005 0.000 0.982 323 E CA 0.792 57.196 56.400 0.006 0.000 0.803 323 E CB -1.030 28.675 29.700 0.010 0.000 0.755 323 E HN -0.075 nan 8.360 nan 0.000 0.453 324 V N 0.826 120.743 119.914 0.006 0.000 2.427 324 V HA -0.254 3.873 4.120 0.012 0.000 0.248 324 V C 2.309 178.399 176.094 -0.007 0.000 1.051 324 V CA 2.001 64.303 62.300 0.003 0.000 1.048 324 V CB -0.516 31.312 31.823 0.008 0.000 0.666 324 V HN 0.311 nan 8.190 nan 0.000 0.456 325 Q N -0.234 119.563 119.800 -0.006 0.000 2.050 325 Q HA -0.154 4.193 4.340 0.012 0.000 0.202 325 Q C 2.454 178.447 176.000 -0.012 0.000 0.980 325 Q CA 1.799 57.596 55.803 -0.010 0.000 0.840 325 Q CB -0.415 28.319 28.738 -0.006 0.000 0.898 325 Q HN 0.666 nan 8.270 nan 0.000 0.424 326 A N 0.977 123.792 122.820 -0.008 0.000 1.902 326 A HA -0.161 4.166 4.320 0.012 0.000 0.217 326 A C 2.271 179.848 177.584 -0.013 0.000 1.181 326 A CA 1.653 53.684 52.037 -0.009 0.000 0.623 326 A CB -0.834 18.163 19.000 -0.006 0.000 0.818 326 A HN 0.418 nan 8.150 nan 0.000 0.443 327 A N -0.181 122.631 122.820 -0.013 0.000 1.933 327 A HA 0.155 4.482 4.320 0.012 0.000 0.218 327 A C 2.487 180.054 177.584 -0.028 0.000 1.175 327 A CA 2.065 54.092 52.037 -0.017 0.000 0.628 327 A CB -0.955 18.039 19.000 -0.010 0.000 0.814 327 A HN 1.063 nan 8.150 nan 0.000 0.444 328 A N -0.231 122.569 122.820 -0.034 0.000 1.930 328 A HA -0.142 4.185 4.320 0.012 0.000 0.217 328 A C 2.237 179.804 177.584 -0.029 0.000 1.175 328 A CA 1.376 53.385 52.037 -0.046 0.000 0.627 328 A CB -0.427 18.543 19.000 -0.050 0.000 0.815 328 A HN 0.541 nan 8.150 nan 0.000 0.443 329 R N -1.214 119.274 120.500 -0.019 0.000 2.115 329 R HA -0.033 4.314 4.340 0.012 0.000 0.226 329 R C 2.027 178.325 176.300 -0.004 0.000 1.100 329 R CA 1.179 57.272 56.100 -0.012 0.000 0.980 329 R CB -0.501 29.793 30.300 -0.010 0.000 0.875 329 R HN 0.494 nan 8.270 nan 0.000 0.445 330 L N 1.055 122.272 121.223 -0.009 0.000 2.056 330 L HA -0.092 4.255 4.340 0.012 0.000 0.207 330 L C 1.942 178.820 176.870 0.013 0.000 1.078 330 L CA 1.576 56.410 54.840 -0.011 0.000 0.749 330 L CB -0.223 41.817 42.059 -0.033 0.000 0.901 330 L HN 0.082 nan 8.230 nan 0.000 0.433 331 L N -0.829 120.406 121.223 0.019 0.000 2.217 331 L HA -0.060 4.287 4.340 0.012 0.000 0.211 331 L C 2.556 179.490 176.870 0.108 0.000 1.107 331 L CA 0.856 55.749 54.840 0.088 0.000 0.783 331 L CB -0.725 41.366 42.059 0.053 0.000 0.919 331 L HN 0.342 nan 8.230 nan 0.000 0.442 332 A N -0.121 122.720 122.820 0.036 0.000 1.968 332 A HA 0.003 4.330 4.320 0.012 0.000 0.217 332 A C 2.357 179.953 177.584 0.020 0.000 1.169 332 A CA 1.360 53.403 52.037 0.009 0.000 0.638 332 A CB -0.402 18.591 19.000 -0.012 0.000 0.812 332 A HN 0.353 nan 8.150 nan 0.000 0.446 333 A N -1.981 120.867 122.820 0.046 0.000 2.218 333 A HA 0.203 4.530 4.320 0.012 0.000 0.209 333 A C 0.652 178.296 177.584 0.100 0.000 1.168 333 A CA -0.150 51.914 52.037 0.045 0.000 0.804 333 A CB -0.386 18.633 19.000 0.032 0.000 0.834 333 A HN 0.651 nan 8.150 nan 0.000 0.482 334 W N 2.523 123.759 121.300 -0.107 0.000 2.216 334 W HA 0.343 5.010 4.660 0.011 0.000 0.326 334 W C 0.161 176.585 176.519 -0.158 0.000 1.319 334 W CA -0.499 56.764 57.345 -0.137 0.000 1.213 334 W CB 0.702 30.063 29.460 -0.165 0.000 1.171 334 W HN 0.378 nan 8.180 nan 0.000 0.557 335 D N 3.695 123.915 120.400 -0.300 0.000 2.349 335 D HA -0.084 4.563 4.640 0.012 0.000 0.224 335 D C 0.574 176.334 176.300 -0.900 0.000 1.029 335 D CA 0.154 53.880 54.000 -0.457 0.000 0.879 335 D CB -0.248 40.411 40.800 -0.234 0.000 0.906 335 D HN 0.647 nan 8.370 nan 0.000 0.528 336 R N -0.822 118.468 120.500 -2.017 0.000 3.776 336 R HA -0.121 4.226 4.340 0.012 0.000 0.312 336 R C -0.762 174.693 176.300 -1.409 0.000 1.181 336 R CA 0.777 55.445 56.100 -2.388 0.000 0.836 336 R CB -1.908 27.598 30.300 -1.325 0.000 1.324 336 R HN 0.303 nan 8.270 nan 0.000 0.501 337 E N 0.136 119.791 120.200 -0.907 0.000 2.212 337 E HA 0.230 4.587 4.350 0.012 0.000 0.268 337 E C -0.322 176.069 176.600 -0.348 0.000 0.902 337 E CA -0.813 55.318 56.400 -0.449 0.000 0.779 337 E CB 0.617 30.206 29.700 -0.186 0.000 1.172 337 E HN -0.024 nan 8.360 nan 0.000 0.409 338 F N 1.703 121.414 119.950 -0.399 0.000 2.669 338 F HA 0.065 4.598 4.527 0.011 0.000 0.353 338 F C 1.180 176.495 175.800 -0.808 0.000 1.192 338 F CA -0.325 57.293 58.000 -0.637 0.000 1.317 338 F CB -0.492 38.201 39.000 -0.511 0.000 1.652 338 F HN 0.102 nan 8.300 nan 0.000 0.608 339 T N -3.693 110.639 114.554 -0.370 0.000 2.874 339 T HA 0.199 4.556 4.350 0.012 0.000 0.281 339 T C 1.501 176.207 174.700 0.010 0.000 0.994 339 T CA -0.633 61.372 62.100 -0.159 0.000 1.015 339 T CB 1.525 70.376 68.868 -0.029 0.000 1.028 339 T HN 0.172 nan 8.240 nan 0.000 0.523 340 S N 1.029 116.791 115.700 0.102 0.000 2.382 340 S HA -0.113 4.364 4.470 0.012 0.000 0.228 340 S C 1.683 176.340 174.600 0.095 0.000 1.027 340 S CA 1.377 59.662 58.200 0.141 0.000 0.991 340 S CB -0.450 62.797 63.200 0.079 0.000 0.823 340 S HN 0.955 nan 8.310 nan 0.000 0.469 341 D N 0.698 121.132 120.400 0.056 0.000 2.340 341 D HA 0.082 4.729 4.640 0.012 0.000 0.220 341 D C 0.482 176.793 176.300 0.017 0.000 1.039 341 D CA 0.047 54.065 54.000 0.030 0.000 0.866 341 D CB -0.314 40.500 40.800 0.023 0.000 0.913 341 D HN 0.154 nan 8.370 nan 0.000 0.523 342 S N 0.395 116.107 115.700 0.019 0.000 2.537 342 S HA 0.066 4.543 4.470 0.012 0.000 0.286 342 S C 0.963 175.496 174.600 -0.111 0.000 1.299 342 S CA -0.343 57.826 58.200 -0.052 0.000 1.067 342 S CB 0.605 63.741 63.200 -0.107 0.000 0.864 342 S HN 0.178 nan 8.310 nan 0.000 0.494 343 R N 3.173 123.573 120.500 -0.166 0.000 2.334 343 R HA 0.240 4.587 4.340 0.012 0.000 0.212 343 R C 1.549 177.701 176.300 -0.246 0.000 0.897 343 R CA 0.636 56.642 56.100 -0.155 0.000 1.056 343 R CB 0.171 30.414 30.300 -0.094 0.000 1.046 343 R HN 0.654 nan 8.270 nan 0.000 0.513 344 A N 0.271 122.802 122.820 -0.482 0.000 2.229 344 A HA 0.328 4.655 4.320 0.012 0.000 0.211 344 A C 2.015 179.116 177.584 -0.804 0.000 1.193 344 A CA 0.538 52.219 52.037 -0.595 0.000 0.879 344 A CB 0.162 18.787 19.000 -0.625 0.000 0.911 344 A HN 0.224 nan 8.150 nan 0.000 0.492 345 A N 0.819 123.067 122.820 -0.953 0.000 1.873 345 A HA -0.167 4.160 4.320 0.012 0.000 0.218 345 A C 2.072 179.661 177.584 0.009 0.000 1.193 345 A CA 1.760 53.453 52.037 -0.574 0.000 0.629 345 A CB -0.796 18.045 19.000 -0.266 0.000 0.826 345 A HN 0.473 nan 8.150 nan 0.000 0.447 346 L N -1.234 120.007 121.223 0.030 0.000 2.012 346 L HA -0.205 4.142 4.340 0.012 0.000 0.210 346 L C 2.614 179.529 176.870 0.075 0.000 1.073 346 L CA 1.497 56.334 54.840 -0.005 0.000 0.748 346 L CB -0.660 41.182 42.059 -0.362 0.000 0.891 346 L HN 0.514 nan 8.230 nan 0.000 0.431 347 L N -0.592 120.645 121.223 0.023 0.000 2.079 347 L HA -0.246 4.101 4.340 0.012 0.000 0.210 347 L C 2.326 179.291 176.870 0.159 0.000 1.081 347 L CA 1.670 56.560 54.840 0.083 0.000 0.752 347 L CB -0.662 41.411 42.059 0.024 0.000 0.896 347 L HN 0.107 nan 8.230 nan 0.000 0.433 348 F N 0.573 120.535 119.950 0.020 0.000 2.146 348 F HA -0.151 4.383 4.527 0.011 0.000 0.298 348 F C 2.284 178.289 175.800 0.341 0.000 1.096 348 F CA 1.826 59.928 58.000 0.169 0.000 1.275 348 F CB -0.241 38.820 39.000 0.102 0.000 1.008 348 F HN 0.235 nan 8.300 nan 0.000 0.480 349 E N -0.124 120.231 120.200 0.258 0.000 2.058 349 E HA -0.223 4.134 4.350 0.012 0.000 0.194 349 E C 2.073 178.817 176.600 0.240 0.000 0.997 349 E CA 1.391 57.944 56.400 0.255 0.000 0.801 349 E CB -0.237 29.699 29.700 0.393 0.000 0.746 349 E HN 0.391 nan 8.360 nan 0.000 0.450 350 E N 0.085 120.414 120.200 0.215 0.000 2.110 350 E HA -0.196 4.161 4.350 0.012 0.000 0.193 350 E C 1.615 178.288 176.600 0.121 0.000 0.988 350 E CA 0.798 57.300 56.400 0.171 0.000 0.804 350 E CB -0.353 29.455 29.700 0.180 0.000 0.745 350 E HN 0.433 nan 8.360 nan 0.000 0.458 351 W N 1.531 122.794 121.300 -0.061 0.000 2.409 351 W HA -0.044 4.622 4.660 0.011 0.000 0.299 351 W C 2.339 178.807 176.519 -0.085 0.000 1.203 351 W CA 2.057 59.345 57.345 -0.094 0.000 1.298 351 W CB -0.367 28.995 29.460 -0.162 0.000 1.127 351 W HN 0.031 nan 8.180 nan 0.000 0.528 352 A N 0.898 123.596 122.820 -0.204 0.000 1.933 352 A HA -0.189 4.138 4.320 0.012 0.000 0.218 352 A C 2.020 179.613 177.584 0.014 0.000 1.175 352 A CA 1.722 53.643 52.037 -0.194 0.000 0.628 352 A CB -0.761 18.201 19.000 -0.064 0.000 0.814 352 A HN 0.402 nan 8.150 nan 0.000 0.444 353 R N -0.721 119.811 120.500 0.053 0.000 2.127 353 R HA -0.069 4.278 4.340 0.012 0.000 0.238 353 R C 1.842 178.002 176.300 -0.233 0.000 1.134 353 R CA 1.442 57.424 56.100 -0.198 0.000 0.975 353 R CB -0.394 29.799 30.300 -0.180 0.000 0.865 353 R HN 0.548 nan 8.270 nan 0.000 0.447 354 L N -1.369 119.708 121.223 -0.243 0.000 2.168 354 L HA -0.031 4.316 4.340 0.012 0.000 0.203 354 L C 2.166 178.845 176.870 -0.318 0.000 1.078 354 L CA 0.502 55.190 54.840 -0.252 0.000 0.780 354 L CB -0.402 41.527 42.059 -0.217 0.000 0.939 354 L HN 0.060 nan 8.230 nan 0.000 0.451 355 F N 1.289 120.823 119.950 -0.693 0.000 2.134 355 F HA -0.125 4.409 4.527 0.011 0.000 0.299 355 F C 1.957 177.486 175.800 -0.451 0.000 1.097 355 F CA 1.462 59.015 58.000 -0.746 0.000 1.264 355 F CB 0.043 38.173 39.000 -1.450 0.000 1.001 355 F HN -0.035 nan 8.300 nan 0.000 0.479 356 A N -0.287 122.355 122.820 -0.297 0.000 2.571 356 A HA 0.596 4.923 4.320 0.012 0.000 0.274 356 A C 0.751 178.244 177.584 -0.151 0.000 1.196 356 A CA 0.367 52.278 52.037 -0.209 0.000 0.957 356 A CB -0.851 18.212 19.000 0.107 0.000 1.150 356 A HN 0.944 nan 8.150 nan 0.000 0.539 357 G N -0.840 107.827 108.800 -0.221 0.000 2.730 357 G HA2 -0.138 3.829 3.960 0.012 0.000 0.686 357 G HA3 -0.138 3.829 3.960 0.012 0.000 0.686 357 G C 0.232 174.897 174.900 -0.391 0.000 1.343 357 G CA -0.126 44.829 45.100 -0.241 0.000 0.826 357 G HN 0.078 nan 8.290 nan 0.000 0.582 358 Q N 0.407 119.982 119.800 -0.376 0.000 2.234 358 Q HA -0.130 4.217 4.340 0.012 0.000 0.206 358 Q C 2.220 177.786 176.000 -0.725 0.000 0.980 358 Q CA 2.031 57.531 55.803 -0.505 0.000 0.869 358 Q CB -0.211 28.346 28.738 -0.302 0.000 0.912 358 Q HN 0.859 nan 8.270 nan 0.000 0.436 359 N N -1.109 117.300 118.700 -0.485 0.000 2.280 359 N HA -0.064 4.683 4.740 0.012 0.000 0.192 359 N C -0.212 175.208 175.510 -0.151 0.000 1.109 359 N CA -0.094 52.757 53.050 -0.331 0.000 0.855 359 N CB -0.157 38.254 38.487 -0.126 0.000 0.974 359 N HN 0.039 nan 8.380 nan 0.000 0.482 360 F N -1.057 118.856 119.950 -0.061 0.000 3.006 360 F HA -0.275 4.258 4.527 0.011 0.000 0.289 360 F C 1.324 177.162 175.800 0.063 0.000 0.772 360 F CA 0.434 58.436 58.000 0.003 0.000 1.162 360 F CB -1.944 37.077 39.000 0.035 0.000 1.382 360 F HN 0.336 nan 8.300 nan 0.000 0.406 361 A N -0.047 122.860 122.820 0.144 0.000 2.308 361 A HA 0.546 4.873 4.320 0.012 0.000 0.217 361 A C 1.709 179.357 177.584 0.107 0.000 1.216 361 A CA 0.464 52.578 52.037 0.128 0.000 0.864 361 A CB -0.526 18.518 19.000 0.074 0.000 0.902 361 A HN 0.567 nan 8.150 nan 0.000 0.499 362 G N -0.907 107.932 108.800 0.064 0.000 2.491 362 G HA2 0.347 4.314 3.960 0.012 0.000 0.238 362 G HA3 0.347 4.314 3.960 0.012 0.000 0.238 362 G C 0.400 175.370 174.900 0.116 0.000 1.277 362 G CA -0.154 44.954 45.100 0.014 0.000 0.851 362 G HN 0.253 nan 8.290 nan 0.000 0.573 363 Q N 1.227 121.094 119.800 0.110 0.000 2.280 363 Q HA 0.131 4.478 4.340 0.012 0.000 0.244 363 Q C 2.519 178.624 176.000 0.175 0.000 0.847 363 Q CA 0.536 56.503 55.803 0.273 0.000 0.945 363 Q CB 0.477 29.341 28.738 0.211 0.000 1.115 363 Q HN 0.656 nan 8.270 nan 0.000 0.513 364 A N 1.021 123.830 122.820 -0.018 0.000 2.024 364 A HA -0.089 4.238 4.320 0.012 0.000 0.220 364 A C 2.093 179.573 177.584 -0.172 0.000 1.164 364 A CA 1.834 53.828 52.037 -0.071 0.000 0.643 364 A CB -0.783 18.155 19.000 -0.104 0.000 0.806 364 A HN 0.386 nan 8.150 nan 0.000 0.451 365 G N -1.643 106.858 108.800 -0.499 0.000 2.572 365 G HA2 0.220 4.188 3.960 0.012 0.000 0.216 365 G HA3 0.220 4.188 3.960 0.012 0.000 0.216 365 G C 0.342 175.090 174.900 -0.253 0.000 1.133 365 G CA -0.219 44.462 45.100 -0.698 0.000 0.791 365 G HN 0.324 nan 8.290 nan 0.000 0.538 366 F N 0.181 120.177 119.950 0.076 0.000 2.459 366 F HA 0.472 5.005 4.527 0.010 0.000 0.346 366 F C 1.517 177.413 175.800 0.160 0.000 1.128 366 F CA -0.162 57.970 58.000 0.220 0.000 1.268 366 F CB 1.466 40.593 39.000 0.213 0.000 1.161 366 F HN 0.045 nan 8.300 nan 0.000 0.583 367 A N 1.489 124.528 122.820 0.366 0.000 1.898 367 A HA 0.032 4.359 4.320 0.012 0.000 0.214 367 A C 0.915 178.653 177.584 0.257 0.000 1.183 367 A CA 0.994 53.183 52.037 0.254 0.000 0.622 367 A CB -0.503 18.628 19.000 0.217 0.000 0.824 367 A HN 0.626 nan 8.150 nan 0.000 0.444 368 T N 2.615 117.356 114.554 0.311 0.000 2.772 368 T HA 0.479 4.836 4.350 0.012 0.000 0.288 368 T C -2.775 172.055 174.700 0.217 0.000 0.994 368 T CA -1.232 61.015 62.100 0.244 0.000 0.951 368 T CB 1.888 70.913 68.868 0.262 0.000 0.933 368 T HN 0.218 nan 8.240 nan 0.000 0.447 369 P HA 0.102 nan 4.420 nan 0.000 0.274 369 P C -0.365 177.021 177.300 0.143 0.000 1.246 369 P CA -0.699 62.504 63.100 0.172 0.000 0.795 369 P CB 0.937 32.733 31.700 0.159 0.000 1.006 370 W N 1.852 123.149 121.300 -0.005 0.000 2.158 370 W HA 0.294 4.961 4.660 0.012 0.000 0.339 370 W C -0.081 176.437 176.519 -0.002 0.000 1.294 370 W CA 1.143 58.475 57.345 -0.023 0.000 1.231 370 W CB 0.417 29.863 29.460 -0.024 0.000 1.143 370 W HN 0.310 nan 8.180 nan 0.000 0.571 371 S N 5.484 120.566 115.700 -1.029 0.000 2.572 371 S HA 0.199 4.676 4.470 0.012 0.000 0.274 371 S C -0.049 173.709 174.600 -1.403 0.000 1.150 371 S CA -0.842 56.809 58.200 -0.914 0.000 0.944 371 S CB 1.071 64.020 63.200 -0.419 0.000 1.071 371 S HN 0.612 nan 8.310 nan 0.000 0.479 372 L N 3.566 124.099 121.223 -1.150 0.000 2.353 372 L HA 0.099 4.446 4.340 0.012 0.000 0.220 372 L C 1.461 178.134 176.870 -0.328 0.000 1.133 372 L CA 1.941 56.335 54.840 -0.743 0.000 0.798 372 L CB -0.436 41.452 42.059 -0.285 0.000 0.922 372 L HN 0.747 nan 8.230 nan 0.000 0.445 373 D N -0.209 120.013 120.400 -0.297 0.000 2.277 373 D HA -0.060 4.587 4.640 0.012 0.000 0.208 373 D C 0.670 176.918 176.300 -0.087 0.000 0.962 373 D CA 0.867 54.791 54.000 -0.126 0.000 0.865 373 D CB 0.216 40.948 40.800 -0.114 0.000 0.939 373 D HN 0.373 nan 8.370 nan 0.000 0.510 374 K N 0.799 121.069 120.400 -0.215 0.000 3.146 374 K HA 0.149 4.476 4.320 0.012 0.000 0.168 374 K C -2.034 174.422 176.600 -0.240 0.000 1.075 374 K CA -0.984 55.211 56.287 -0.155 0.000 0.843 374 K CB 2.248 34.664 32.500 -0.140 0.000 1.002 374 K HN -0.082 nan 8.250 nan 0.000 0.597 375 P HA -0.138 nan 4.420 nan 0.000 0.221 375 P C 0.910 178.306 177.300 0.161 0.000 1.145 375 P CA 1.184 64.281 63.100 -0.006 0.000 0.795 375 P CB 0.128 31.877 31.700 0.081 0.000 0.775 376 V N -3.525 116.369 119.914 -0.032 0.000 3.176 376 V HA 0.347 4.474 4.120 0.012 0.000 0.332 376 V C 1.140 177.235 176.094 0.001 0.000 1.414 376 V CA 0.582 62.871 62.300 -0.018 0.000 1.133 376 V CB -0.565 31.153 31.823 -0.176 0.000 1.088 376 V HN 0.184 nan 8.190 nan 0.000 0.473 377 S N -0.790 114.918 115.700 0.013 0.000 2.893 377 S HA 0.319 4.796 4.470 0.012 0.000 0.258 377 S C 0.554 175.187 174.600 0.055 0.000 1.034 377 S CA 0.420 58.629 58.200 0.016 0.000 1.167 377 S CB 0.291 63.470 63.200 -0.036 0.000 1.137 377 S HN 0.875 nan 8.310 nan 0.000 0.650 378 T N 0.042 114.649 114.554 0.088 0.000 2.906 378 T HA 0.714 5.071 4.350 0.012 0.000 0.295 378 T C -3.423 171.428 174.700 0.253 0.000 1.075 378 T CA -2.117 60.049 62.100 0.110 0.000 1.005 378 T CB 2.063 70.924 68.868 -0.011 0.000 1.136 378 T HN -0.044 nan 8.240 nan 0.000 0.498 379 P HA 0.306 nan 4.420 nan 0.000 0.275 379 P C -1.454 175.774 177.300 -0.120 0.000 1.266 379 P CA -0.229 62.761 63.100 -0.184 0.000 0.793 379 P CB 0.478 31.769 31.700 -0.682 0.000 1.074 380 Y N -1.385 118.907 120.300 -0.013 0.000 2.609 380 Y HA 0.469 5.025 4.550 0.010 0.000 0.336 380 Y C -0.181 175.976 175.900 0.429 0.000 1.129 380 Y CA 0.642 58.870 58.100 0.213 0.000 1.040 380 Y CB 1.397 39.929 38.460 0.120 0.000 1.310 380 Y HN 0.992 nan 8.280 nan 0.000 0.460 381 G N 1.214 109.481 108.800 -0.887 0.000 2.846 381 G HA2 -0.025 3.942 3.960 0.012 0.000 0.660 381 G HA3 -0.025 3.942 3.960 0.012 0.000 0.660 381 G C -2.035 172.901 174.900 0.061 0.000 1.464 381 G CA -0.532 44.276 45.100 -0.488 0.000 0.891 381 G HN 1.137 nan 8.290 nan 0.000 0.552 382 V N 2.032 121.971 119.914 0.041 0.000 2.347 382 V HA 0.444 4.571 4.120 0.012 0.000 0.280 382 V C 1.664 177.857 176.094 0.165 0.000 1.021 382 V CA 0.308 62.703 62.300 0.158 0.000 0.847 382 V CB 1.318 33.201 31.823 0.100 0.000 0.990 382 V HN 0.970 nan 8.190 nan 0.000 0.444 383 R N 2.663 123.277 120.500 0.190 0.000 2.075 383 R HA -0.066 4.281 4.340 0.012 0.000 0.232 383 R C 0.450 176.820 176.300 0.116 0.000 1.126 383 R CA 1.421 57.605 56.100 0.141 0.000 0.963 383 R CB 0.294 30.665 30.300 0.118 0.000 0.858 383 R HN 0.736 nan 8.270 nan 0.000 0.435 384 D N -0.748 119.729 120.400 0.128 0.000 2.432 384 D HA 0.197 4.844 4.640 0.012 0.000 0.265 384 D C -2.094 174.283 176.300 0.128 0.000 1.160 384 D CA -2.323 51.741 54.000 0.106 0.000 0.911 384 D CB 1.729 42.580 40.800 0.084 0.000 1.052 384 D HN -0.038 nan 8.370 nan 0.000 0.508 385 P HA -0.172 nan 4.420 nan 0.000 0.215 385 P C 1.462 178.817 177.300 0.092 0.000 1.157 385 P CA 0.851 64.007 63.100 0.093 0.000 0.874 385 P CB 0.428 32.164 31.700 0.060 0.000 0.790 386 K N 0.256 120.701 120.400 0.075 0.000 2.044 386 K HA -0.158 4.169 4.320 0.012 0.000 0.210 386 K C 1.941 178.591 176.600 0.083 0.000 1.049 386 K CA 2.173 58.500 56.287 0.066 0.000 0.927 386 K CB -1.052 31.479 32.500 0.052 0.000 0.713 386 K HN 0.023 nan 8.250 nan 0.000 0.443 387 A N 0.717 123.593 122.820 0.093 0.000 1.930 387 A HA -0.024 4.303 4.320 0.012 0.000 0.217 387 A C 2.347 180.025 177.584 0.157 0.000 1.175 387 A CA 1.944 54.040 52.037 0.098 0.000 0.627 387 A CB -0.591 18.456 19.000 0.077 0.000 0.815 387 A HN 0.432 nan 8.150 nan 0.000 0.443 388 A N -0.572 122.381 122.820 0.222 0.000 1.972 388 A HA 0.021 4.348 4.320 0.012 0.000 0.219 388 A C 2.137 179.945 177.584 0.372 0.000 1.169 388 A CA 1.712 53.984 52.037 0.391 0.000 0.635 388 A CB -0.696 18.558 19.000 0.423 0.000 0.810 388 A HN 0.374 nan 8.150 nan 0.000 0.446 389 V N 0.251 120.280 119.914 0.191 0.000 2.548 389 V HA -0.170 3.957 4.120 0.012 0.000 0.249 389 V C 2.010 178.183 176.094 0.131 0.000 1.055 389 V CA 1.975 64.348 62.300 0.123 0.000 1.065 389 V CB -0.617 31.242 31.823 0.061 0.000 0.681 389 V HN 0.474 nan 8.190 nan 0.000 0.462 390 D N -0.127 120.347 120.400 0.124 0.000 2.144 390 D HA -0.160 4.487 4.640 0.012 0.000 0.200 390 D C 2.331 178.702 176.300 0.118 0.000 0.978 390 D CA 1.150 55.207 54.000 0.096 0.000 0.833 390 D CB -0.092 40.749 40.800 0.070 0.000 0.961 390 D HN 0.515 nan 8.370 nan 0.000 0.470 391 Q N -0.064 119.836 119.800 0.165 0.000 2.124 391 Q HA -0.124 4.223 4.340 0.012 0.000 0.202 391 Q C 2.186 178.351 176.000 0.275 0.000 0.977 391 Q CA 0.546 56.443 55.803 0.157 0.000 0.850 391 Q CB -0.050 28.743 28.738 0.091 0.000 0.901 391 Q HN 0.173 nan 8.270 nan 0.000 0.429 392 L N 0.927 122.393 121.223 0.406 0.000 2.093 392 L HA -0.158 4.189 4.340 0.012 0.000 0.208 392 L C 2.317 179.290 176.870 0.171 0.000 1.085 392 L CA 1.704 56.754 54.840 0.349 0.000 0.755 392 L CB -0.388 41.742 42.059 0.119 0.000 0.904 392 L HN 0.043 nan 8.230 nan 0.000 0.435 393 R N -1.179 119.395 120.500 0.122 0.000 2.083 393 R HA -0.164 4.184 4.340 0.012 0.000 0.237 393 R C 1.973 178.316 176.300 0.072 0.000 1.137 393 R CA 2.110 58.255 56.100 0.076 0.000 0.951 393 R CB -0.410 29.925 30.300 0.060 0.000 0.851 393 R HN 0.432 nan 8.270 nan 0.000 0.434 394 T N 0.435 115.036 114.554 0.077 0.000 2.821 394 T HA -0.049 4.308 4.350 0.012 0.000 0.267 394 T C 1.778 176.517 174.700 0.065 0.000 1.046 394 T CA 1.134 63.267 62.100 0.055 0.000 1.139 394 T CB -0.189 68.702 68.868 0.038 0.000 0.871 394 T HN 0.424 nan 8.240 nan 0.000 0.454 395 A N 1.175 124.058 122.820 0.106 0.000 1.972 395 A HA -0.008 4.319 4.320 0.012 0.000 0.219 395 A C 2.250 179.897 177.584 0.105 0.000 1.169 395 A CA 1.075 53.186 52.037 0.123 0.000 0.635 395 A CB -0.762 18.368 19.000 0.217 0.000 0.810 395 A HN 0.524 nan 8.150 nan 0.000 0.446 396 I N -0.371 120.254 120.570 0.091 0.000 2.226 396 I HA -0.280 3.897 4.170 0.012 0.000 0.245 396 I C 2.968 179.117 176.117 0.054 0.000 1.100 396 I CA 1.062 62.403 61.300 0.068 0.000 1.374 396 I CB -0.318 37.713 38.000 0.051 0.000 1.057 396 I HN 0.362 nan 8.210 nan 0.000 0.413 397 A N 0.990 123.837 122.820 0.044 0.000 1.902 397 A HA -0.197 4.130 4.320 0.012 0.000 0.217 397 A C 2.035 179.631 177.584 0.020 0.000 1.181 397 A CA 1.833 53.886 52.037 0.026 0.000 0.623 397 A CB -0.622 18.389 19.000 0.019 0.000 0.818 397 A HN 0.409 nan 8.150 nan 0.000 0.443 398 N N -0.215 118.501 118.700 0.028 0.000 2.244 398 N HA -0.088 4.659 4.740 0.012 0.000 0.183 398 N C 1.658 177.183 175.510 0.025 0.000 1.016 398 N CA 1.805 54.863 53.050 0.013 0.000 0.866 398 N CB -0.775 37.724 38.487 0.020 0.000 0.980 398 N HN 0.491 nan 8.380 nan 0.000 0.430 399 T N 1.418 116.024 114.554 0.086 0.000 2.777 399 T HA -0.028 4.329 4.350 0.012 0.000 0.266 399 T C 1.846 176.623 174.700 0.128 0.000 1.040 399 T CA 1.040 63.244 62.100 0.174 0.000 1.141 399 T CB 0.032 69.005 68.868 0.174 0.000 0.868 399 T HN 0.293 nan 8.240 nan 0.000 0.444 400 K N 0.759 121.198 120.400 0.065 0.000 2.057 400 K HA 0.007 4.334 4.320 0.012 0.000 0.206 400 K C 2.559 179.154 176.600 -0.008 0.000 1.050 400 K CA 0.773 57.082 56.287 0.037 0.000 0.935 400 K CB -0.112 32.403 32.500 0.024 0.000 0.715 400 K HN 0.126 nan 8.250 nan 0.000 0.439 401 R N 1.721 122.201 120.500 -0.033 0.000 2.081 401 R HA -0.142 4.205 4.340 0.012 0.000 0.235 401 R C 1.766 177.981 176.300 -0.142 0.000 1.131 401 R CA 1.674 57.733 56.100 -0.069 0.000 0.960 401 R CB 0.101 30.364 30.300 -0.062 0.000 0.856 401 R HN 0.117 nan 8.270 nan 0.000 0.436 402 K N -1.191 119.061 120.400 -0.248 0.000 2.098 402 K HA -0.086 4.241 4.320 0.012 0.000 0.203 402 K C 1.303 177.503 176.600 -0.666 0.000 1.051 402 K CA 1.213 57.172 56.287 -0.547 0.000 0.957 402 K CB 0.153 32.111 32.500 -0.903 0.000 0.738 402 K HN 0.260 nan 8.250 nan 0.000 0.447 403 Y N -1.065 119.217 120.300 -0.029 0.000 2.481 403 Y HA 0.272 4.829 4.550 0.011 0.000 0.247 403 Y C 1.301 177.178 175.900 -0.037 0.000 1.151 403 Y CA 0.018 58.092 58.100 -0.044 0.000 1.238 403 Y CB 1.116 39.542 38.460 -0.056 0.000 1.179 403 Y HN 0.226 nan 8.280 nan 0.000 0.524 404 G N 0.266 109.104 108.800 0.063 0.000 2.176 404 G HA2 -0.021 3.946 3.960 0.012 0.000 0.253 404 G HA3 -0.021 3.946 3.960 0.012 0.000 0.253 404 G C 0.200 175.125 174.900 0.042 0.000 0.979 404 G CA 0.136 45.258 45.100 0.037 0.000 0.641 404 G HN 0.880 nan 8.290 nan 0.000 0.530 405 A N -1.205 121.656 122.820 0.068 0.000 2.586 405 A HA 0.719 5.046 4.320 0.012 0.000 0.291 405 A C 0.666 178.283 177.584 0.055 0.000 1.062 405 A CA 0.005 52.068 52.037 0.043 0.000 0.666 405 A CB -0.051 18.962 19.000 0.022 0.000 1.281 405 A HN 1.392 nan 8.150 nan 0.000 0.421 406 I N -2.131 118.456 120.570 0.030 0.000 3.603 406 I HA 0.236 4.413 4.170 0.012 0.000 0.297 406 I C 0.378 176.486 176.117 -0.016 0.000 1.269 406 I CA 0.965 62.279 61.300 0.024 0.000 1.361 406 I CB 0.097 38.108 38.000 0.018 0.000 1.063 406 I HN 0.466 nan 8.210 nan 0.000 0.448 407 D N 1.701 122.086 120.400 -0.024 0.000 2.788 407 D HA 0.101 4.748 4.640 0.012 0.000 0.289 407 D C 0.356 176.621 176.300 -0.058 0.000 1.340 407 D CA -0.411 53.558 54.000 -0.052 0.000 0.831 407 D CB -0.091 40.683 40.800 -0.042 0.000 1.103 407 D HN 0.316 nan 8.370 nan 0.000 0.476 408 R N 1.299 121.760 120.500 -0.064 0.000 2.389 408 R HA 0.292 4.639 4.340 0.012 0.000 0.295 408 R C -2.386 173.848 176.300 -0.110 0.000 1.075 408 R CA -1.198 54.856 56.100 -0.077 0.000 1.005 408 R CB 0.424 30.681 30.300 -0.072 0.000 0.987 408 R HN -0.137 nan 8.270 nan 0.000 0.452 409 P HA -0.102 nan 4.420 nan 0.000 0.262 409 P C -0.183 177.058 177.300 -0.098 0.000 1.182 409 P CA 0.271 63.331 63.100 -0.067 0.000 0.761 409 P CB 0.234 31.902 31.700 -0.053 0.000 0.795 410 F N 4.224 124.043 119.950 -0.218 0.000 2.091 410 F HA -0.177 4.357 4.527 0.012 0.000 0.299 410 F C 2.119 177.729 175.800 -0.316 0.000 1.103 410 F CA 2.555 60.387 58.000 -0.280 0.000 1.228 410 F CB -0.738 38.149 39.000 -0.188 0.000 0.984 410 F HN 0.388 nan 8.300 nan 0.000 0.477 411 G N -1.063 107.683 108.800 -0.089 0.000 2.744 411 G HA2 -0.186 3.781 3.960 0.012 0.000 0.211 411 G HA3 -0.186 3.781 3.960 0.012 0.000 0.211 411 G C 1.377 176.147 174.900 -0.216 0.000 1.143 411 G CA 0.691 45.683 45.100 -0.180 0.000 0.788 411 G HN 0.463 nan 8.290 nan 0.000 0.534 412 D N 0.481 120.758 120.400 -0.205 0.000 2.240 412 D HA 0.096 4.743 4.640 0.012 0.000 0.206 412 D C 2.473 178.650 176.300 -0.205 0.000 0.963 412 D CA 0.853 54.758 54.000 -0.159 0.000 0.863 412 D CB 0.274 41.008 40.800 -0.110 0.000 0.973 412 D HN 0.241 nan 8.370 nan 0.000 0.501 413 A N 0.165 122.793 122.820 -0.321 0.000 1.911 413 A HA 0.126 4.453 4.320 0.012 0.000 0.212 413 A C 1.277 178.576 177.584 -0.475 0.000 1.189 413 A CA 0.214 52.057 52.037 -0.324 0.000 0.639 413 A CB 0.040 18.793 19.000 -0.412 0.000 0.839 413 A HN 0.122 nan 8.150 nan 0.000 0.449 414 S N 1.866 117.065 115.700 -0.836 0.000 2.400 414 S HA 0.488 4.965 4.470 0.012 0.000 0.295 414 S C -0.088 174.089 174.600 -0.705 0.000 1.113 414 S CA -0.422 57.022 58.200 -1.260 0.000 1.064 414 S CB 0.247 62.018 63.200 -2.380 0.000 0.990 414 S HN 0.390 nan 8.310 nan 0.000 0.502 415 R N 2.210 122.521 120.500 -0.315 0.000 2.854 415 R HA 0.530 4.877 4.340 0.012 0.000 0.271 415 R C -0.793 175.598 176.300 0.152 0.000 0.996 415 R CA -0.693 55.373 56.100 -0.055 0.000 0.961 415 R CB 1.603 31.875 30.300 -0.046 0.000 1.182 415 R HN 0.515 nan 8.270 nan 0.000 0.479 416 M N 3.215 122.885 119.600 0.117 0.000 2.043 416 M HA 0.470 4.957 4.480 0.012 0.000 0.322 416 M C -0.673 175.699 176.300 0.121 0.000 0.962 416 M CA -0.299 55.097 55.300 0.160 0.000 0.927 416 M CB 1.226 33.913 32.600 0.145 0.000 1.466 416 M HN 0.329 nan 8.290 nan 0.000 0.412 417 I N 4.691 125.344 120.570 0.139 0.000 2.382 417 I HA 0.433 4.610 4.170 0.012 0.000 0.286 417 I C -1.260 174.925 176.117 0.114 0.000 1.002 417 I CA -0.754 60.608 61.300 0.103 0.000 1.135 417 I CB 1.558 39.611 38.000 0.090 0.000 1.288 417 I HN 0.449 nan 8.210 nan 0.000 0.448 418 L N 7.276 128.536 121.223 0.062 0.000 2.404 418 L HA 0.536 4.883 4.340 0.012 0.000 0.272 418 L C 0.332 177.239 176.870 0.061 0.000 0.980 418 L CA 0.004 54.851 54.840 0.011 0.000 0.836 418 L CB 0.872 42.811 42.059 -0.201 0.000 1.238 418 L HN 0.600 nan 8.230 nan 0.000 0.408 419 N N 1.607 120.400 118.700 0.155 0.000 1.293 419 N HA -0.294 4.453 4.740 0.012 0.000 0.140 419 N C 0.404 175.963 175.510 0.082 0.000 0.753 419 N CA 1.972 55.106 53.050 0.139 0.000 0.979 419 N CB -0.442 38.136 38.487 0.152 0.000 1.228 419 N HN 0.699 nan 8.380 nan 0.000 0.509 420 D N 0.960 121.397 120.400 0.062 0.000 2.339 420 D HA 0.129 4.776 4.640 0.012 0.000 0.217 420 D C 0.034 176.353 176.300 0.032 0.000 1.050 420 D CA 0.287 54.312 54.000 0.042 0.000 0.856 420 D CB 0.389 41.209 40.800 0.034 0.000 0.922 420 D HN 0.108 nan 8.370 nan 0.000 0.518 421 V N 2.200 122.132 119.914 0.031 0.000 2.432 421 V HA 0.187 4.314 4.120 0.012 0.000 0.275 421 V C 0.321 176.431 176.094 0.026 0.000 1.043 421 V CA -0.617 61.696 62.300 0.021 0.000 0.925 421 V CB 1.380 33.208 31.823 0.008 0.000 0.985 421 V HN 0.039 nan 8.190 nan 0.000 0.466 422 N N 4.529 123.241 118.700 0.021 0.000 2.540 422 N HA 0.456 5.203 4.740 0.012 0.000 0.275 422 N C -1.069 174.447 175.510 0.010 0.000 1.053 422 N CA -0.210 52.853 53.050 0.021 0.000 0.876 422 N CB 2.017 40.514 38.487 0.016 0.000 1.284 422 N HN 0.549 nan 8.380 nan 0.000 0.518 423 V N 1.623 121.544 119.914 0.012 0.000 2.864 423 V HA 0.794 4.921 4.120 0.012 0.000 0.314 423 V C -2.473 173.615 176.094 -0.011 0.000 1.073 423 V CA -2.229 60.071 62.300 0.000 0.000 0.956 423 V CB 1.864 33.688 31.823 0.001 0.000 1.023 423 V HN 0.407 nan 8.190 nan 0.000 0.435 424 P HA 0.273 nan 4.420 nan 0.000 0.268 424 P C 0.146 177.425 177.300 -0.036 0.000 1.205 424 P CA 0.601 63.672 63.100 -0.047 0.000 0.771 424 P CB 1.107 32.788 31.700 -0.032 0.000 0.858 425 G N 1.021 109.775 108.800 -0.076 0.000 2.511 425 G HA2 0.662 4.629 3.960 0.012 0.000 0.316 425 G HA3 0.662 4.629 3.960 0.012 0.000 0.316 425 G C -1.172 173.797 174.900 0.114 0.000 1.210 425 G CA -0.492 44.618 45.100 0.017 0.000 0.969 425 G HN 0.736 nan 8.290 nan 0.000 0.492 426 A N -1.394 121.569 122.820 0.239 0.000 2.610 426 A HA 0.997 5.324 4.320 0.012 0.000 0.291 426 A C 0.145 178.015 177.584 0.478 0.000 1.086 426 A CA 0.436 52.694 52.037 0.369 0.000 0.677 426 A CB 0.807 19.961 19.000 0.257 0.000 1.278 426 A HN 2.830 nan 8.150 nan 0.000 0.414 427 A N -1.470 121.621 122.820 0.453 0.000 3.938 427 A HA 0.460 4.787 4.320 0.012 0.000 0.617 427 A C 1.020 178.882 177.584 0.464 0.000 0.745 427 A CA 1.195 53.536 52.037 0.506 0.000 0.311 427 A CB -1.808 17.578 19.000 0.644 0.000 3.551 427 A HN 3.103 nan 8.150 nan 0.000 0.519 428 G N -1.595 107.295 108.800 0.150 0.000 2.726 428 G HA2 0.631 4.598 3.960 0.012 0.000 0.198 428 G HA3 0.631 4.598 3.960 0.012 0.000 0.198 428 G C -0.706 174.057 174.900 -0.227 0.000 1.195 428 G CA 0.008 45.071 45.100 -0.063 0.000 0.951 428 G HN 1.455 nan 8.290 nan 0.000 0.532 429 Y N 1.734 121.981 120.300 -0.087 0.000 2.620 429 Y HA 0.313 4.870 4.550 0.012 0.000 0.330 429 Y C 1.835 177.739 175.900 0.007 0.000 1.186 429 Y CA 0.905 58.991 58.100 -0.023 0.000 1.467 429 Y CB 1.055 39.523 38.460 0.012 0.000 1.262 429 Y HN 0.527 nan 8.280 nan 0.000 0.550 430 G N 2.348 111.247 108.800 0.166 0.000 2.432 430 G HA2 -0.270 3.697 3.960 0.012 0.000 0.219 430 G HA3 -0.270 3.697 3.960 0.012 0.000 0.219 430 G C 1.392 176.408 174.900 0.194 0.000 1.135 430 G CA 0.592 45.776 45.100 0.140 0.000 0.767 430 G HN 0.565 nan 8.290 nan 0.000 0.550 431 N N 0.189 119.026 118.700 0.229 0.000 2.520 431 N HA 0.045 4.792 4.740 0.012 0.000 0.185 431 N C 1.803 177.447 175.510 0.222 0.000 1.068 431 N CA 0.323 53.513 53.050 0.234 0.000 0.911 431 N CB -0.014 38.654 38.487 0.301 0.000 0.961 431 N HN 0.314 nan 8.380 nan 0.000 0.446 432 L N -1.539 119.796 121.223 0.186 0.000 2.592 432 L HA 0.239 4.586 4.340 0.012 0.000 0.227 432 L C 1.268 178.339 176.870 0.336 0.000 1.127 432 L CA 0.287 55.278 54.840 0.251 0.000 0.884 432 L CB 0.140 42.360 42.059 0.267 0.000 1.065 432 L HN 0.216 nan 8.230 nan 0.000 0.457 433 G N -0.796 108.178 108.800 0.289 0.000 2.231 433 G HA2 -0.245 3.722 3.960 0.012 0.000 0.206 433 G HA3 -0.245 3.722 3.960 0.012 0.000 0.206 433 G C 0.405 175.482 174.900 0.296 0.000 0.996 433 G CA 0.120 45.379 45.100 0.265 0.000 0.645 433 G HN 0.199 nan 8.290 nan 0.000 0.498 434 S N 0.111 116.021 115.700 0.349 0.000 2.515 434 S HA 0.450 4.927 4.470 0.012 0.000 0.285 434 S C 1.125 175.877 174.600 0.254 0.000 1.265 434 S CA 0.240 58.649 58.200 0.349 0.000 1.079 434 S CB 0.224 63.615 63.200 0.319 0.000 0.877 434 S HN 0.595 nan 8.310 nan 0.000 0.493 435 F N 5.355 125.379 119.950 0.123 0.000 2.149 435 F HA 0.233 4.767 4.527 0.011 0.000 0.294 435 F C 1.461 177.265 175.800 0.007 0.000 1.095 435 F CA 0.867 58.896 58.000 0.048 0.000 1.276 435 F CB -0.019 38.991 39.000 0.018 0.000 1.023 435 F HN 0.523 nan 8.300 nan 0.000 0.480 436 R N 1.347 121.891 120.500 0.074 0.000 2.347 436 R HA 0.382 4.729 4.340 0.012 0.000 0.304 436 R C -1.453 174.746 176.300 -0.169 0.000 1.072 436 R CA -0.154 55.908 56.100 -0.063 0.000 0.980 436 R CB 0.608 30.981 30.300 0.122 0.000 0.986 436 R HN 0.021 nan 8.270 nan 0.000 0.448 437 V N 5.974 125.571 119.914 -0.529 0.000 2.513 437 V HA 0.494 4.621 4.120 0.012 0.000 0.299 437 V C -0.872 174.553 176.094 -1.115 0.000 1.035 437 V CA -0.516 61.361 62.300 -0.705 0.000 0.889 437 V CB 1.603 32.869 31.823 -0.929 0.000 0.988 437 V HN 0.624 nan 8.190 nan 0.000 0.440 438 F N 1.201 120.794 119.950 -0.594 0.000 2.828 438 F HA 0.320 4.854 4.527 0.012 0.000 0.355 438 F C 0.430 175.518 175.800 -1.186 0.000 1.200 438 F CA -0.454 56.961 58.000 -0.976 0.000 1.062 438 F CB 1.894 40.147 39.000 -1.244 0.000 1.351 438 F HN 0.321 nan 8.300 nan 0.000 0.504 439 T N 2.503 116.635 114.554 -0.703 0.000 2.992 439 T HA 0.083 4.440 4.350 0.012 0.000 0.299 439 T C -0.234 174.176 174.700 -0.483 0.000 1.027 439 T CA -0.300 61.513 62.100 -0.477 0.000 1.001 439 T CB -0.420 68.424 68.868 -0.039 0.000 1.005 439 T HN 0.307 nan 8.240 nan 0.000 0.599 440 W N 2.953 124.019 121.300 -0.391 0.000 2.181 440 W HA 0.302 4.969 4.660 0.011 0.000 0.335 440 W C 1.298 177.835 176.519 0.030 0.000 1.310 440 W CA -0.825 56.408 57.345 -0.188 0.000 1.226 440 W CB 0.278 29.607 29.460 -0.219 0.000 1.155 440 W HN 0.562 nan 8.180 nan 0.000 0.565 441 S N 1.148 116.998 115.700 0.250 0.000 2.640 441 S HA 0.212 4.689 4.470 0.012 0.000 0.262 441 S C -0.169 174.549 174.600 0.197 0.000 1.232 441 S CA -0.942 57.365 58.200 0.178 0.000 0.988 441 S CB 0.633 63.898 63.200 0.109 0.000 1.034 441 S HN 0.400 nan 8.310 nan 0.000 0.569 442 D N 2.741 123.215 120.400 0.122 0.000 2.382 442 D HA 0.378 5.025 4.640 0.012 0.000 0.245 442 D C -1.877 174.456 176.300 0.055 0.000 1.120 442 D CA -1.040 53.008 54.000 0.080 0.000 0.890 442 D CB 0.454 41.271 40.800 0.029 0.000 1.201 442 D HN 0.413 nan 8.370 nan 0.000 0.433 443 P HA 0.066 nan 4.420 nan 0.000 0.274 443 P C -0.404 176.875 177.300 -0.034 0.000 1.246 443 P CA -0.443 62.652 63.100 -0.009 0.000 0.795 443 P CB 0.821 32.467 31.700 -0.091 0.000 1.006 444 D N -0.150 120.239 120.400 -0.019 0.000 2.478 444 D HA -0.009 4.638 4.640 0.012 0.000 0.274 444 D C 1.250 177.526 176.300 -0.041 0.000 1.234 444 D CA -0.363 53.625 54.000 -0.020 0.000 1.069 444 D CB -0.143 40.655 40.800 -0.003 0.000 1.113 444 D HN 0.377 nan 8.370 nan 0.000 0.571 445 E N -0.292 119.889 120.200 -0.032 0.000 2.463 445 E HA -0.232 4.125 4.350 0.012 0.000 0.201 445 E C 0.080 176.659 176.600 -0.035 0.000 1.045 445 E CA 0.912 57.290 56.400 -0.037 0.000 0.872 445 E CB -0.945 28.739 29.700 -0.026 0.000 0.797 445 E HN 0.614 nan 8.360 nan 0.000 0.538 446 N N 0.012 118.697 118.700 -0.026 0.000 2.203 446 N HA 0.202 4.949 4.740 0.012 0.000 0.207 446 N C 0.515 176.021 175.510 -0.007 0.000 1.130 446 N CA 0.157 53.198 53.050 -0.016 0.000 0.861 446 N CB 0.898 39.380 38.487 -0.009 0.000 1.005 446 N HN 0.321 nan 8.380 nan 0.000 0.507 447 G N 0.850 109.634 108.800 -0.026 0.000 2.153 447 G HA2 -0.257 3.710 3.960 0.012 0.000 0.252 447 G HA3 -0.257 3.710 3.960 0.012 0.000 0.252 447 G C -0.029 174.927 174.900 0.092 0.000 0.994 447 G CA -0.021 45.088 45.100 0.016 0.000 0.698 447 G HN 0.165 nan 8.290 nan 0.000 0.521 448 V N 2.407 122.334 119.914 0.022 0.000 2.465 448 V HA 0.680 4.807 4.120 0.012 0.000 0.279 448 V C 0.813 176.915 176.094 0.013 0.000 1.045 448 V CA -0.144 62.154 62.300 -0.003 0.000 0.938 448 V CB 1.339 33.155 31.823 -0.011 0.000 0.986 448 V HN 0.671 nan 8.190 nan 0.000 0.467 449 R N 2.787 123.278 120.500 -0.015 0.000 2.854 449 R HA 0.866 5.213 4.340 0.012 0.000 0.271 449 R C -0.795 175.579 176.300 0.123 0.000 0.994 449 R CA -0.520 55.614 56.100 0.056 0.000 0.945 449 R CB 2.294 32.637 30.300 0.071 0.000 1.194 449 R HN 0.665 nan 8.270 nan 0.000 0.476 450 T N -1.765 112.929 114.554 0.233 0.000 2.865 450 T HA 0.543 4.900 4.350 0.012 0.000 0.294 450 T C -2.950 171.824 174.700 0.124 0.000 1.119 450 T CA -2.354 59.911 62.100 0.274 0.000 1.007 450 T CB 2.064 71.017 68.868 0.141 0.000 1.225 450 T HN 0.368 nan 8.240 nan 0.000 0.515 451 P HA 0.342 nan 4.420 nan 0.000 0.271 451 P C 0.206 177.118 177.300 -0.646 0.000 1.216 451 P CA -0.354 62.252 63.100 -0.823 0.000 0.771 451 P CB 0.925 31.720 31.700 -1.508 0.000 0.864 452 V N 1.756 121.381 119.914 -0.482 0.000 3.523 452 V HA 0.120 4.247 4.120 0.012 0.000 0.255 452 V C 0.532 176.520 176.094 -0.177 0.000 1.226 452 V CA 0.942 63.118 62.300 -0.205 0.000 1.092 452 V CB -0.459 31.333 31.823 -0.052 0.000 0.817 452 V HN 0.691 nan 8.190 nan 0.000 0.458 453 H N -1.218 117.524 119.070 -0.548 0.000 3.037 453 H HA 0.565 5.129 4.556 0.012 0.000 0.336 453 H C -0.341 174.686 175.328 -0.502 0.000 1.323 453 H CA 0.388 56.233 56.048 -0.337 0.000 1.159 453 H CB 1.677 31.372 29.762 -0.111 0.000 1.882 453 H HN 0.236 nan 8.280 nan 0.000 0.535 454 G N 2.035 110.319 108.800 -0.861 0.000 2.292 454 G HA2 -0.045 3.922 3.960 0.012 0.000 0.194 454 G HA3 -0.045 3.922 3.960 0.012 0.000 0.194 454 G C -1.211 173.449 174.900 -0.401 0.000 1.329 454 G CA -0.501 44.083 45.100 -0.859 0.000 1.100 454 G HN 0.546 nan 8.290 nan 0.000 0.470 455 E N 1.526 121.389 120.200 -0.562 0.000 2.558 455 E HA 0.279 4.636 4.350 0.012 0.000 0.255 455 E C 1.109 177.675 176.600 -0.057 0.000 0.968 455 E CA 1.167 57.401 56.400 -0.276 0.000 0.939 455 E CB 1.054 30.477 29.700 -0.462 0.000 0.921 455 E HN 0.816 nan 8.360 nan 0.000 0.477 456 T N -0.345 114.115 114.554 -0.157 0.000 3.216 456 T HA 0.079 4.437 4.350 0.012 0.000 0.167 456 T C 0.316 174.842 174.700 -0.291 0.000 0.905 456 T CA -0.657 61.236 62.100 -0.346 0.000 1.042 456 T CB 0.001 68.830 68.868 -0.064 0.000 1.787 456 T HN 0.595 nan 8.240 nan 0.000 0.355 457 W N 3.106 124.137 121.300 -0.447 0.000 2.322 457 W HA 0.596 5.263 4.660 0.012 0.000 0.307 457 W C -1.933 174.385 176.519 -0.334 0.000 1.220 457 W CA -0.746 56.346 57.345 -0.422 0.000 1.210 457 W CB 1.011 30.091 29.460 -0.633 0.000 1.223 457 W HN 0.261 nan 8.180 nan 0.000 0.511 458 V N 6.148 125.516 119.914 -0.910 0.000 2.525 458 V HA 0.717 4.844 4.120 0.012 0.000 0.299 458 V C -0.238 175.277 176.094 -0.965 0.000 1.034 458 V CA -0.723 61.130 62.300 -0.745 0.000 0.863 458 V CB 0.916 32.589 31.823 -0.251 0.000 0.999 458 V HN 0.666 nan 8.190 nan 0.000 0.423 459 A N 6.772 129.109 122.820 -0.804 0.000 2.488 459 A HA 0.962 5.289 4.320 0.012 0.000 0.298 459 A C -0.881 176.524 177.584 -0.299 0.000 1.044 459 A CA -0.660 51.039 52.037 -0.563 0.000 0.693 459 A CB 2.042 20.741 19.000 -0.503 0.000 1.272 459 A HN 0.779 nan 8.150 nan 0.000 0.402 460 M N 2.286 121.737 119.600 -0.249 0.000 2.197 460 M HA 0.673 5.161 4.480 0.012 0.000 0.301 460 M C -1.684 174.495 176.300 -0.202 0.000 0.987 460 M CA -0.394 54.858 55.300 -0.080 0.000 0.921 460 M CB 0.694 33.303 32.600 0.015 0.000 1.569 460 M HN 0.362 nan 8.290 nan 0.000 0.431 461 I N 1.974 122.368 120.570 -0.293 0.000 2.509 461 I HA 0.412 4.589 4.170 0.012 0.000 0.293 461 I C -0.167 175.639 176.117 -0.517 0.000 1.020 461 I CA -0.331 60.615 61.300 -0.589 0.000 1.088 461 I CB 2.135 39.497 38.000 -1.063 0.000 1.267 461 I HN 0.786 nan 8.210 nan 0.000 0.430 462 E N 5.159 125.054 120.200 -0.508 0.000 2.145 462 E HA 0.372 4.729 4.350 0.012 0.000 0.270 462 E C -1.169 175.169 176.600 -0.437 0.000 0.906 462 E CA -0.501 55.683 56.400 -0.359 0.000 0.761 462 E CB 0.684 30.253 29.700 -0.217 0.000 1.116 462 E HN 0.446 nan 8.360 nan 0.000 0.408 463 F N 3.979 123.840 119.950 -0.148 0.000 2.705 463 F HA 0.108 4.642 4.527 0.012 0.000 0.355 463 F C 0.724 176.478 175.800 -0.076 0.000 1.172 463 F CA -0.220 57.716 58.000 -0.105 0.000 1.332 463 F CB -0.220 38.716 39.000 -0.106 0.000 1.621 463 F HN 0.308 nan 8.300 nan 0.000 0.605 464 S N -1.309 114.380 115.700 -0.018 0.000 2.646 464 S HA 0.588 5.065 4.470 0.012 0.000 0.273 464 S C 0.120 174.724 174.600 0.008 0.000 1.168 464 S CA -0.783 57.413 58.200 -0.007 0.000 1.013 464 S CB 1.193 64.368 63.200 -0.042 0.000 1.098 464 S HN 0.147 nan 8.310 nan 0.000 0.544 465 T N 2.725 117.283 114.554 0.006 0.000 2.892 465 T HA 0.540 4.897 4.350 0.012 0.000 0.311 465 T C -2.216 172.484 174.700 0.001 0.000 1.033 465 T CA -0.813 61.295 62.100 0.014 0.000 0.991 465 T CB 0.880 69.763 68.868 0.025 0.000 0.981 465 T HN 0.670 nan 8.240 nan 0.000 0.457 466 P HA 0.443 nan 4.420 nan 0.000 0.276 466 P C 0.227 177.504 177.300 -0.040 0.000 1.261 466 P CA -0.644 62.452 63.100 -0.007 0.000 0.800 466 P CB 0.608 32.304 31.700 -0.008 0.000 1.066 467 V N -0.839 119.043 119.914 -0.054 0.000 3.139 467 V HA 0.276 4.403 4.120 0.012 0.000 0.307 467 V C 0.291 176.275 176.094 -0.183 0.000 1.095 467 V CA -0.328 61.879 62.300 -0.155 0.000 1.160 467 V CB -0.059 31.629 31.823 -0.226 0.000 1.003 467 V HN 0.704 nan 8.190 nan 0.000 0.489 468 R N 2.240 122.587 120.500 -0.255 0.000 2.502 468 R HA 0.755 5.102 4.340 0.012 0.000 0.300 468 R C -0.809 175.286 176.300 -0.342 0.000 0.984 468 R CA 0.148 56.100 56.100 -0.247 0.000 0.882 468 R CB 1.610 31.831 30.300 -0.132 0.000 1.180 468 R HN 1.290 nan 8.270 nan 0.000 0.444 469 A N 3.683 126.241 122.820 -0.438 0.000 2.449 469 A HA 0.664 4.991 4.320 0.012 0.000 0.302 469 A C -1.925 175.338 177.584 -0.534 0.000 1.048 469 A CA -0.525 51.241 52.037 -0.451 0.000 0.708 469 A CB 1.116 19.787 19.000 -0.548 0.000 1.274 469 A HN 0.655 nan 8.150 nan 0.000 0.410 470 Y N 0.074 120.244 120.300 -0.217 0.000 2.499 470 Y HA 0.727 5.284 4.550 0.012 0.000 0.347 470 Y C 0.769 176.579 175.900 -0.151 0.000 0.987 470 Y CA 0.134 58.154 58.100 -0.133 0.000 1.044 470 Y CB 2.923 41.291 38.460 -0.154 0.000 1.245 470 Y HN 1.114 nan 8.280 nan 0.000 0.461 471 G N 1.228 110.120 108.800 0.153 0.000 2.645 471 G HA2 0.716 4.683 3.960 0.012 0.000 0.292 471 G HA3 0.716 4.683 3.960 0.012 0.000 0.292 471 G C -2.589 172.390 174.900 0.132 0.000 1.415 471 G CA -0.741 44.355 45.100 -0.007 0.000 0.785 471 G HN 0.414 nan 8.290 nan 0.000 0.483 472 L N -0.796 120.371 121.223 -0.094 0.000 2.672 472 L HA 0.802 5.149 4.340 0.012 0.000 0.256 472 L C -1.361 175.467 176.870 -0.069 0.000 0.946 472 L CA -0.546 54.257 54.840 -0.062 0.000 0.889 472 L CB 2.329 44.263 42.059 -0.210 0.000 1.441 472 L HN 0.729 nan 8.230 nan 0.000 0.418 473 M N 1.588 121.180 119.600 -0.013 0.000 2.053 473 M HA 0.432 4.920 4.480 0.012 0.000 0.297 473 M C 0.639 176.760 176.300 -0.298 0.000 0.921 473 M CA 0.209 55.465 55.300 -0.075 0.000 0.918 473 M CB 1.556 34.211 32.600 0.092 0.000 1.499 473 M HN 0.587 nan 8.290 nan 0.000 0.422 474 S N 3.137 118.529 115.700 -0.514 0.000 2.393 474 S HA -0.222 4.255 4.470 0.012 0.000 0.235 474 S C 0.786 175.022 174.600 -0.606 0.000 1.061 474 S CA 2.519 60.348 58.200 -0.619 0.000 1.129 474 S CB -0.642 61.959 63.200 -1.000 0.000 1.011 474 S HN 0.817 nan 8.310 nan 0.000 0.436 475 Y N 1.248 121.235 120.300 -0.521 0.000 2.718 475 Y HA 0.589 5.146 4.550 0.012 0.000 0.322 475 Y C 0.963 176.760 175.900 -0.172 0.000 1.122 475 Y CA -1.171 56.668 58.100 -0.436 0.000 1.348 475 Y CB -1.180 37.035 38.460 -0.408 0.000 1.174 475 Y HN 0.308 nan 8.280 nan 0.000 0.523 476 G N 1.502 110.337 108.800 0.059 0.000 2.804 476 G HA2 -0.376 3.591 3.960 0.012 0.000 0.230 476 G HA3 -0.376 3.591 3.960 0.012 0.000 0.230 476 G C 0.030 175.093 174.900 0.271 0.000 1.386 476 G CA 0.136 45.336 45.100 0.168 0.000 0.875 476 G HN 0.475 nan 8.290 nan 0.000 0.557 477 N N -0.539 118.308 118.700 0.244 0.000 2.203 477 N HA 0.401 5.148 4.740 0.012 0.000 0.207 477 N C 0.134 175.851 175.510 0.346 0.000 1.130 477 N CA 1.100 54.307 53.050 0.261 0.000 0.861 477 N CB 0.467 39.007 38.487 0.088 0.000 1.005 477 N HN 0.826 nan 8.380 nan 0.000 0.507 478 S N -0.896 114.985 115.700 0.302 0.000 2.536 478 S HA 0.473 4.950 4.470 0.012 0.000 0.271 478 S C -0.301 174.390 174.600 0.153 0.000 1.134 478 S CA -0.651 57.675 58.200 0.210 0.000 0.897 478 S CB 1.296 64.626 63.200 0.216 0.000 1.094 478 S HN 0.209 nan 8.310 nan 0.000 0.473 479 R N 1.444 121.943 120.500 -0.001 0.000 2.572 479 R HA 0.259 4.606 4.340 0.012 0.000 0.370 479 R C -0.295 175.896 176.300 -0.181 0.000 1.005 479 R CA -0.277 55.723 56.100 -0.166 0.000 1.146 479 R CB 0.289 30.472 30.300 -0.195 0.000 1.390 479 R HN 0.557 nan 8.270 nan 0.000 0.553 480 Q N 1.348 121.090 119.800 -0.098 0.000 2.392 480 Q HA 0.150 4.497 4.340 0.012 0.000 0.262 480 Q C -2.310 173.635 176.000 -0.092 0.000 1.003 480 Q CA -1.777 53.973 55.803 -0.088 0.000 0.888 480 Q CB 0.645 29.352 28.738 -0.051 0.000 1.260 480 Q HN 0.040 nan 8.270 nan 0.000 0.435 481 P HA -0.025 nan 4.420 nan 0.000 0.260 481 P C 0.336 177.607 177.300 -0.049 0.000 1.185 481 P CA 1.099 64.154 63.100 -0.075 0.000 0.763 481 P CB 0.199 31.863 31.700 -0.060 0.000 0.776 482 G N 1.705 110.479 108.800 -0.044 0.000 2.143 482 G HA2 -0.248 3.719 3.960 0.012 0.000 0.248 482 G HA3 -0.248 3.719 3.960 0.012 0.000 0.248 482 G C 0.484 175.375 174.900 -0.015 0.000 0.991 482 G CA 0.247 45.334 45.100 -0.022 0.000 0.689 482 G HN 0.749 nan 8.290 nan 0.000 0.522 483 T N -0.217 114.332 114.554 -0.010 0.000 2.868 483 T HA 0.495 4.852 4.350 0.012 0.000 0.292 483 T C 1.908 176.597 174.700 -0.017 0.000 1.028 483 T CA 1.230 63.333 62.100 0.006 0.000 1.059 483 T CB 0.707 69.611 68.868 0.058 0.000 0.991 483 T HN 0.868 nan 8.240 nan 0.000 0.531 484 T N 0.363 114.831 114.554 -0.143 0.000 3.086 484 T HA 0.170 4.527 4.350 0.012 0.000 0.250 484 T C 0.610 175.119 174.700 -0.318 0.000 1.074 484 T CA 0.063 62.020 62.100 -0.239 0.000 0.988 484 T CB -0.161 68.499 68.868 -0.347 0.000 0.988 484 T HN 0.705 nan 8.240 nan 0.000 0.530 485 H N 0.031 119.172 119.070 0.118 0.000 2.490 485 H HA 0.313 4.876 4.556 0.012 0.000 0.285 485 H C -0.084 175.363 175.328 0.198 0.000 1.127 485 H CA -0.659 55.467 56.048 0.130 0.000 0.993 485 H CB 0.139 29.972 29.762 0.118 0.000 1.653 485 H HN 0.393 nan 8.280 nan 0.000 0.557 486 Y N 1.544 121.913 120.300 0.114 0.000 2.506 486 Y HA 0.025 4.582 4.550 0.012 0.000 0.287 486 Y C 1.866 177.819 175.900 0.088 0.000 1.147 486 Y CA 0.950 59.109 58.100 0.100 0.000 1.241 486 Y CB 0.505 39.001 38.460 0.061 0.000 1.279 486 Y HN 0.106 nan 8.280 nan 0.000 0.527 487 S N -0.424 115.256 115.700 -0.033 0.000 2.575 487 S HA 0.084 4.561 4.470 0.012 0.000 0.237 487 S C 0.562 175.140 174.600 -0.035 0.000 0.975 487 S CA 0.078 58.199 58.200 -0.132 0.000 0.960 487 S CB -0.422 62.737 63.200 -0.067 0.000 0.822 487 S HN 0.558 nan 8.310 nan 0.000 0.472 488 D N 1.011 121.424 120.400 0.023 0.000 2.319 488 D HA 0.023 4.670 4.640 0.012 0.000 0.230 488 D C 1.053 177.371 176.300 0.030 0.000 1.094 488 D CA 0.125 54.153 54.000 0.045 0.000 0.856 488 D CB -0.059 40.803 40.800 0.105 0.000 0.915 488 D HN 0.548 nan 8.370 nan 0.000 0.517 489 Q N -0.822 118.972 119.800 -0.011 0.000 2.210 489 Q HA 0.188 4.535 4.340 0.012 0.000 0.252 489 Q C 1.522 177.481 176.000 -0.069 0.000 0.811 489 Q CA -0.335 55.448 55.803 -0.034 0.000 0.953 489 Q CB 0.531 29.247 28.738 -0.036 0.000 1.136 489 Q HN 0.073 nan 8.270 nan 0.000 0.491 490 I N 1.969 122.494 120.570 -0.075 0.000 2.423 490 I HA -0.242 3.935 4.170 0.012 0.000 0.254 490 I C 2.173 178.269 176.117 -0.034 0.000 1.151 490 I CA 1.522 62.787 61.300 -0.058 0.000 1.421 490 I CB 0.063 38.035 38.000 -0.047 0.000 1.079 490 I HN 0.175 nan 8.210 nan 0.000 0.431 491 E N 0.325 120.506 120.200 -0.032 0.000 2.072 491 E HA -0.212 4.145 4.350 0.012 0.000 0.191 491 E C 2.414 178.987 176.600 -0.044 0.000 0.985 491 E CA 0.986 57.370 56.400 -0.026 0.000 0.801 491 E CB -0.034 29.657 29.700 -0.015 0.000 0.750 491 E HN 0.478 nan 8.360 nan 0.000 0.452 492 R N -0.014 120.449 120.500 -0.062 0.000 2.096 492 R HA -0.104 4.243 4.340 0.012 0.000 0.235 492 R C 2.495 178.697 176.300 -0.163 0.000 1.127 492 R CA 1.092 57.131 56.100 -0.101 0.000 0.968 492 R CB -0.214 30.023 30.300 -0.106 0.000 0.861 492 R HN 0.040 nan 8.270 nan 0.000 0.440 493 V N 0.055 119.881 119.914 -0.147 0.000 2.287 493 V HA -0.291 3.837 4.120 0.012 0.000 0.248 493 V C 2.303 178.351 176.094 -0.077 0.000 1.053 493 V CA 2.150 64.367 62.300 -0.139 0.000 1.027 493 V CB -0.530 31.274 31.823 -0.031 0.000 0.646 493 V HN 0.377 nan 8.190 nan 0.000 0.447 494 S N -0.354 115.316 115.700 -0.050 0.000 2.400 494 S HA -0.196 4.281 4.470 0.012 0.000 0.232 494 S C 1.841 176.427 174.600 -0.022 0.000 1.025 494 S CA 1.547 59.727 58.200 -0.033 0.000 0.993 494 S CB -0.214 62.973 63.200 -0.022 0.000 0.808 494 S HN 0.649 nan 8.310 nan 0.000 0.478 495 R N 0.229 120.703 120.500 -0.043 0.000 2.393 495 R HA 0.441 4.788 4.340 0.012 0.000 0.244 495 R C 0.818 177.089 176.300 -0.049 0.000 0.920 495 R CA 0.494 56.576 56.100 -0.029 0.000 1.076 495 R CB 0.045 30.329 30.300 -0.026 0.000 1.119 495 R HN 0.330 nan 8.270 nan 0.000 0.524 496 A N 2.347 125.101 122.820 -0.110 0.000 2.745 496 A HA -0.212 4.115 4.320 0.012 0.000 0.296 496 A C -0.331 177.133 177.584 -0.200 0.000 1.500 496 A CA 1.212 53.139 52.037 -0.183 0.000 0.766 496 A CB -1.657 17.361 19.000 0.031 0.000 1.030 496 A HN 0.444 nan 8.150 nan 0.000 0.489 497 D N -0.312 119.932 120.400 -0.259 0.000 2.473 497 D HA 0.574 5.221 4.640 0.012 0.000 0.226 497 D C -0.111 176.084 176.300 -0.174 0.000 1.089 497 D CA -0.310 53.620 54.000 -0.117 0.000 0.883 497 D CB -0.155 40.612 40.800 -0.054 0.000 1.029 497 D HN 0.221 nan 8.370 nan 0.000 0.517 498 F N 1.987 121.934 119.950 -0.006 0.000 2.418 498 F HA 0.356 4.890 4.527 0.012 0.000 0.341 498 F C 1.551 177.430 175.800 0.132 0.000 1.120 498 F CA -0.318 57.705 58.000 0.038 0.000 1.232 498 F CB 0.711 39.727 39.000 0.026 0.000 1.175 498 F HN 0.023 nan 8.300 nan 0.000 0.569 499 R N 1.001 121.670 120.500 0.282 0.000 2.459 499 R HA 0.233 4.580 4.340 0.012 0.000 0.281 499 R C -0.322 176.101 176.300 0.206 0.000 1.050 499 R CA -0.781 55.442 56.100 0.206 0.000 1.055 499 R CB 0.676 31.054 30.300 0.130 0.000 1.045 499 R HN 0.611 nan 8.270 nan 0.000 0.495 500 E N 2.778 123.013 120.200 0.058 0.000 2.289 500 E HA 0.084 4.441 4.350 0.012 0.000 0.278 500 E C -0.736 175.742 176.600 -0.202 0.000 1.032 500 E CA -0.405 55.810 56.400 -0.308 0.000 0.854 500 E CB 0.666 30.169 29.700 -0.329 0.000 1.046 500 E HN 0.357 nan 8.360 nan 0.000 0.409 501 L N 5.107 126.161 121.223 -0.281 0.000 2.313 501 L HA 0.128 4.475 4.340 0.012 0.000 0.282 501 L C -0.477 176.206 176.870 -0.312 0.000 1.092 501 L CA -0.756 53.940 54.840 -0.242 0.000 0.831 501 L CB 0.328 42.222 42.059 -0.276 0.000 1.159 501 L HN 0.429 nan 8.230 nan 0.000 0.442 502 L N 5.569 126.671 121.223 -0.201 0.000 2.295 502 L HA 0.130 4.477 4.340 0.012 0.000 0.288 502 L C 0.596 177.368 176.870 -0.164 0.000 1.079 502 L CA 0.419 55.183 54.840 -0.127 0.000 0.830 502 L CB 0.846 42.906 42.059 0.003 0.000 1.200 502 L HN 0.589 nan 8.230 nan 0.000 0.438 503 L N 2.359 123.466 121.223 -0.192 0.000 2.500 503 L HA 0.270 4.617 4.340 0.012 0.000 0.219 503 L C 1.180 178.104 176.870 0.090 0.000 1.057 503 L CA 0.480 55.221 54.840 -0.165 0.000 0.854 503 L CB -0.106 41.830 42.059 -0.204 0.000 1.078 503 L HN 0.459 nan 8.230 nan 0.000 0.480 504 R N 0.060 120.584 120.500 0.039 0.000 2.389 504 R HA 0.090 4.437 4.340 0.012 0.000 0.295 504 R C 1.169 177.513 176.300 0.074 0.000 1.075 504 R CA -0.347 55.788 56.100 0.059 0.000 1.005 504 R CB 1.007 31.319 30.300 0.021 0.000 0.987 504 R HN -0.091 nan 8.270 nan 0.000 0.452 505 R N 3.212 123.755 120.500 0.073 0.000 2.119 505 R HA -0.232 4.115 4.340 0.012 0.000 0.246 505 R C 1.667 177.992 176.300 0.042 0.000 1.146 505 R CA 2.391 58.525 56.100 0.056 0.000 0.962 505 R CB -0.213 30.107 30.300 0.034 0.000 0.863 505 R HN 0.764 nan 8.270 nan 0.000 0.442 506 E N 0.462 120.681 120.200 0.031 0.000 2.150 506 E HA -0.227 4.130 4.350 0.012 0.000 0.193 506 E C 1.699 178.313 176.600 0.025 0.000 0.985 506 E CA 1.363 57.777 56.400 0.024 0.000 0.814 506 E CB -0.402 29.308 29.700 0.017 0.000 0.752 506 E HN 0.638 nan 8.360 nan 0.000 0.466 507 Q N 0.750 120.565 119.800 0.025 0.000 2.083 507 Q HA -0.045 4.302 4.340 0.012 0.000 0.198 507 Q C 2.553 178.575 176.000 0.036 0.000 0.969 507 Q CA 1.517 57.332 55.803 0.021 0.000 0.838 507 Q CB -0.010 28.730 28.738 0.004 0.000 0.900 507 Q HN 0.148 nan 8.270 nan 0.000 0.436 508 V N 1.459 121.407 119.914 0.057 0.000 2.295 508 V HA -0.273 3.854 4.120 0.012 0.000 0.246 508 V C 1.923 178.049 176.094 0.053 0.000 1.049 508 V CA 2.016 64.361 62.300 0.073 0.000 1.024 508 V CB -0.530 31.356 31.823 0.105 0.000 0.648 508 V HN 0.359 nan 8.190 nan 0.000 0.447 509 E N 0.155 120.381 120.200 0.042 0.000 2.160 509 E HA -0.188 4.169 4.350 0.012 0.000 0.195 509 E C 2.155 178.773 176.600 0.031 0.000 0.991 509 E CA 1.252 57.672 56.400 0.033 0.000 0.810 509 E CB -0.284 29.431 29.700 0.025 0.000 0.742 509 E HN 0.613 nan 8.360 nan 0.000 0.466 510 A N 0.425 123.263 122.820 0.030 0.000 2.167 510 A HA 0.168 4.495 4.320 0.012 0.000 0.214 510 A C 1.919 179.521 177.584 0.031 0.000 1.151 510 A CA 1.092 53.145 52.037 0.027 0.000 0.735 510 A CB 0.112 19.126 19.000 0.023 0.000 0.802 510 A HN 0.226 nan 8.150 nan 0.000 0.467 511 A N -0.749 122.093 122.820 0.037 0.000 2.469 511 A HA 0.498 4.825 4.320 0.012 0.000 0.245 511 A C 0.469 178.080 177.584 0.044 0.000 1.221 511 A CA -0.085 51.976 52.037 0.041 0.000 0.946 511 A CB -0.021 19.005 19.000 0.043 0.000 1.049 511 A HN 0.203 nan 8.150 nan 0.000 0.529 512 V N 0.943 120.882 119.914 0.042 0.000 2.617 512 V HA 0.023 4.150 4.120 0.012 0.000 0.304 512 V C 1.226 177.347 176.094 0.045 0.000 1.040 512 V CA 0.890 63.216 62.300 0.043 0.000 1.149 512 V CB 0.917 32.763 31.823 0.039 0.000 0.914 512 V HN 0.636 nan 8.190 nan 0.000 0.487 513 Q N 2.467 122.297 119.800 0.050 0.000 2.477 513 Q HA 0.253 4.600 4.340 0.012 0.000 0.252 513 Q C 0.191 176.225 176.000 0.057 0.000 0.869 513 Q CA 0.849 56.686 55.803 0.057 0.000 0.969 513 Q CB 0.780 29.562 28.738 0.074 0.000 1.144 513 Q HN 0.906 nan 8.270 nan 0.000 0.577 514 E N -0.267 119.967 120.200 0.056 0.000 2.340 514 E HA 0.494 4.852 4.350 0.012 0.000 0.273 514 E C -1.329 175.303 176.600 0.052 0.000 0.891 514 E CA -0.765 55.669 56.400 0.056 0.000 0.757 514 E CB 2.683 32.422 29.700 0.065 0.000 1.231 514 E HN -0.103 nan 8.360 nan 0.000 0.439 515 R N 0.956 121.487 120.500 0.052 0.000 2.561 515 R HA 0.460 4.807 4.340 0.012 0.000 0.297 515 R C -1.346 174.995 176.300 0.068 0.000 0.969 515 R CA -0.347 55.786 56.100 0.056 0.000 0.879 515 R CB 1.683 32.010 30.300 0.044 0.000 1.178 515 R HN 0.468 nan 8.270 nan 0.000 0.445 516 T N 6.094 120.704 114.554 0.094 0.000 3.064 516 T HA 0.295 4.652 4.350 0.012 0.000 0.367 516 T C -2.313 172.506 174.700 0.198 0.000 1.202 516 T CA -1.075 61.100 62.100 0.124 0.000 1.133 516 T CB 1.140 70.078 68.868 0.117 0.000 1.074 516 T HN 0.481 nan 8.240 nan 0.000 0.519 517 P HA 0.575 nan 4.420 nan 0.000 0.274 517 P C -0.860 176.554 177.300 0.190 0.000 1.231 517 P CA -0.436 62.714 63.100 0.084 0.000 0.790 517 P CB 0.719 32.428 31.700 0.015 0.000 0.951 518 F N -1.089 118.873 119.950 0.021 0.000 2.789 518 F HA 0.630 5.164 4.527 0.012 0.000 0.319 518 F C -1.514 174.315 175.800 0.048 0.000 1.168 518 F CA -1.162 56.858 58.000 0.033 0.000 0.934 518 F CB 1.404 40.423 39.000 0.032 0.000 1.375 518 F HN 0.235 nan 8.300 nan 0.000 0.480 519 N N 0.057 118.935 118.700 0.296 0.000 2.369 519 N HA 0.497 5.244 4.740 0.012 0.000 0.287 519 N C -2.389 173.340 175.510 0.365 0.000 1.067 519 N CA -0.508 52.654 53.050 0.186 0.000 0.888 519 N CB 2.564 41.099 38.487 0.080 0.000 1.616 519 N HN 0.634 nan 8.380 nan 0.000 0.482 520 F N 2.724 122.767 119.950 0.154 0.000 2.427 520 F HA 0.449 4.983 4.527 0.012 0.000 0.348 520 F C -0.768 175.072 175.800 0.067 0.000 1.125 520 F CA -0.915 57.164 58.000 0.133 0.000 0.989 520 F CB 0.766 39.866 39.000 0.167 0.000 1.165 520 F HN 0.114 nan 8.300 nan 0.000 0.442 521 K N 8.274 128.410 120.400 -0.440 0.000 2.267 521 K HA 0.306 4.633 4.320 0.012 0.000 0.282 521 K C -1.915 174.183 176.600 -0.837 0.000 1.078 521 K CA -1.514 54.495 56.287 -0.463 0.000 0.903 521 K CB 0.479 32.853 32.500 -0.211 0.000 1.111 521 K HN 0.537 nan 8.250 nan 0.000 0.475 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.787 63.100 -0.521 0.000 0.800 522 P CB 0.000 31.559 31.700 -0.235 0.000 0.726