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_B 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 0.000 174.300 174.600 -0.500 0.000 1.055 1 S CA 0.000 57.839 58.200 -0.603 0.000 1.107 1 S CB 0.000 63.080 63.200 -0.200 0.000 0.593 2 N N 1.439 119.745 118.700 -0.657 0.000 2.402 2 N HA 0.814 5.554 4.740 -0.000 0.000 0.294 2 N C -1.095 174.233 175.510 -0.302 0.000 1.203 2 N CA -0.689 52.054 53.050 -0.511 0.000 0.838 2 N CB 1.976 39.904 38.487 -0.931 0.000 1.306 2 N HN 0.781 nan 8.380 nan 0.000 0.510 3 S N -0.371 115.223 115.700 -0.176 0.000 2.584 3 S HA 0.566 5.036 4.470 -0.000 0.000 0.280 3 S C -1.969 172.764 174.600 0.222 0.000 1.162 3 S CA -0.966 57.247 58.200 0.021 0.000 0.951 3 S CB 0.883 64.163 63.200 0.134 0.000 1.108 3 S HN 0.455 nan 8.310 nan 0.000 0.464 4 W N 1.234 122.673 121.300 0.232 0.000 2.936 4 W HA 0.827 5.486 4.660 -0.000 0.000 0.338 4 W C -0.497 176.198 176.519 0.294 0.000 1.121 4 W CA -1.151 56.365 57.345 0.286 0.000 1.209 4 W CB 2.255 31.911 29.460 0.327 0.000 1.420 4 W HN 1.162 nan 8.180 nan 0.000 0.516 5 A N 2.243 125.349 122.820 0.477 0.000 2.402 5 A HA 0.746 5.065 4.320 -0.000 0.000 0.291 5 A C -1.766 175.939 177.584 0.200 0.000 1.051 5 A CA -0.530 51.670 52.037 0.272 0.000 0.716 5 A CB 1.232 20.361 19.000 0.216 0.000 1.223 5 A HN 0.260 nan 8.150 nan 0.000 0.425 6 V N 2.049 122.000 119.914 0.061 0.000 2.495 6 V HA 0.705 4.825 4.120 -0.000 0.000 0.298 6 V C 0.805 176.885 176.094 -0.024 0.000 1.031 6 V CA -0.296 62.011 62.300 0.011 0.000 0.871 6 V CB 1.479 33.225 31.823 -0.128 0.000 0.988 6 V HN 1.288 nan 8.190 nan 0.000 0.432 7 A N 6.115 128.936 122.820 0.002 0.000 2.332 7 A HA 0.565 4.884 4.320 -0.000 0.000 0.258 7 A C -1.484 176.077 177.584 -0.038 0.000 1.087 7 A CA -1.067 50.956 52.037 -0.023 0.000 0.802 7 A CB 0.068 19.059 19.000 -0.014 0.000 1.042 7 A HN 0.696 nan 8.150 nan 0.000 0.489 8 P HA -0.142 nan 4.420 nan 0.000 0.216 8 P C 1.599 178.878 177.300 -0.036 0.000 1.153 8 P CA 2.023 65.098 63.100 -0.041 0.000 0.858 8 P CB 0.047 31.727 31.700 -0.034 0.000 0.789 9 G N -0.521 108.262 108.800 -0.027 0.000 2.501 9 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.220 9 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.220 9 G C 1.465 176.352 174.900 -0.022 0.000 1.114 9 G CA 0.598 45.684 45.100 -0.022 0.000 0.757 9 G HN 0.310 nan 8.290 nan 0.000 0.559 10 K N 0.216 120.600 120.400 -0.026 0.000 2.358 10 K HA 0.117 4.437 4.320 -0.000 0.000 0.197 10 K C 0.702 177.267 176.600 -0.059 0.000 1.025 10 K CA 0.272 56.540 56.287 -0.031 0.000 1.104 10 K CB 0.312 32.806 32.500 -0.011 0.000 0.855 10 K HN 0.373 nan 8.250 nan 0.000 0.531 11 T N -4.019 110.496 114.554 -0.065 0.000 2.952 11 T HA 0.526 4.876 4.350 -0.000 0.000 0.286 11 T C 1.076 175.739 174.700 -0.061 0.000 1.024 11 T CA -0.531 61.520 62.100 -0.080 0.000 1.029 11 T CB 1.868 70.675 68.868 -0.102 0.000 1.094 11 T HN -0.029 nan 8.240 nan 0.000 0.515 12 A N 1.404 124.187 122.820 -0.061 0.000 1.897 12 A HA 0.027 4.347 4.320 -0.000 0.000 0.215 12 A C 2.053 179.612 177.584 -0.042 0.000 1.181 12 A CA 0.808 52.816 52.037 -0.048 0.000 0.620 12 A CB -0.732 18.240 19.000 -0.047 0.000 0.821 12 A HN 0.817 nan 8.150 nan 0.000 0.443 13 N N -0.955 117.717 118.700 -0.046 0.000 2.353 13 N HA 0.147 4.886 4.740 -0.000 0.000 0.185 13 N C 1.044 176.534 175.510 -0.034 0.000 1.098 13 N CA 1.022 54.049 53.050 -0.038 0.000 0.872 13 N CB 0.477 38.941 38.487 -0.039 0.000 0.970 13 N HN 0.659 nan 8.380 nan 0.000 0.467 14 G N 0.839 109.615 108.800 -0.039 0.000 2.132 14 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.234 14 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.234 14 G C -0.433 174.450 174.900 -0.029 0.000 0.989 14 G CA -0.259 44.821 45.100 -0.032 0.000 0.676 14 G HN 0.423 nan 8.290 nan 0.000 0.522 15 N N 0.105 118.782 118.700 -0.038 0.000 2.370 15 N HA 0.706 5.446 4.740 -0.000 0.000 0.303 15 N C 0.299 175.788 175.510 -0.034 0.000 1.103 15 N CA -0.161 52.877 53.050 -0.019 0.000 0.848 15 N CB 1.596 40.074 38.487 -0.016 0.000 1.235 15 N HN 0.550 nan 8.380 nan 0.000 0.496 16 A N 1.625 124.451 122.820 0.011 0.000 2.407 16 A HA 0.434 4.754 4.320 -0.000 0.000 0.248 16 A C -0.456 177.136 177.584 0.013 0.000 1.082 16 A CA -0.032 52.003 52.037 -0.003 0.000 0.785 16 A CB -0.010 18.974 19.000 -0.026 0.000 1.020 16 A HN 0.606 nan 8.150 nan 0.000 0.489 17 L N 1.422 122.561 121.223 -0.139 0.000 2.362 17 L HA 0.683 5.023 4.340 -0.000 0.000 0.271 17 L C -0.774 176.004 176.870 -0.154 0.000 1.002 17 L CA -0.785 53.846 54.840 -0.350 0.000 0.818 17 L CB 1.797 43.265 42.059 -0.984 0.000 1.298 17 L HN 0.680 nan 8.230 nan 0.000 0.420 18 L N 3.253 124.467 121.223 -0.015 0.000 2.422 18 L HA 0.674 5.014 4.340 -0.000 0.000 0.264 18 L C -1.662 175.399 176.870 0.317 0.000 0.984 18 L CA -0.465 54.501 54.840 0.211 0.000 0.819 18 L CB 2.118 44.327 42.059 0.251 0.000 1.330 18 L HN 0.484 nan 8.230 nan 0.000 0.410 19 L N 3.766 125.223 121.223 0.391 0.000 2.349 19 L HA 0.588 4.927 4.340 -0.000 0.000 0.278 19 L C -1.105 175.823 176.870 0.097 0.000 0.996 19 L CA 0.085 55.059 54.840 0.224 0.000 0.825 19 L CB 1.724 43.882 42.059 0.164 0.000 1.243 19 L HN 0.716 nan 8.230 nan 0.000 0.412 20 Q N 4.710 124.520 119.800 0.016 0.000 2.340 20 Q HA 0.375 4.715 4.340 -0.000 0.000 0.259 20 Q C -0.643 175.243 176.000 -0.190 0.000 0.964 20 Q CA -0.074 55.774 55.803 0.075 0.000 0.900 20 Q CB 1.221 30.119 28.738 0.266 0.000 1.228 20 Q HN 0.717 nan 8.270 nan 0.000 0.449 21 N N 2.951 121.522 118.700 -0.216 0.000 2.673 21 N HA 0.173 4.913 4.740 -0.000 0.000 0.265 21 N C -2.728 172.481 175.510 -0.502 0.000 1.709 21 N CA -1.314 51.493 53.050 -0.405 0.000 0.792 21 N CB 1.051 39.255 38.487 -0.471 0.000 1.286 21 N HN 0.332 nan 8.380 nan 0.000 0.506 22 P HA 0.088 nan 4.420 nan 0.000 0.276 22 P C -1.127 176.017 177.300 -0.260 0.000 1.230 22 P CA 0.437 63.315 63.100 -0.370 0.000 0.776 22 P CB 0.881 32.239 31.700 -0.571 0.000 0.888 23 H N 1.964 120.936 119.070 -0.163 0.000 2.511 23 H HA 0.554 5.109 4.556 -0.000 0.000 0.328 23 H C -0.253 174.952 175.328 -0.205 0.000 1.044 23 H CA -0.834 55.039 56.048 -0.290 0.000 1.212 23 H CB 1.274 30.832 29.762 -0.340 0.000 1.428 23 H HN 0.257 nan 8.280 nan 0.000 0.483 24 L N 1.063 122.244 121.223 -0.069 0.000 2.600 24 L HA 0.252 4.592 4.340 -0.000 0.000 0.257 24 L C -0.208 176.804 176.870 0.236 0.000 1.048 24 L CA -0.574 54.300 54.840 0.056 0.000 0.869 24 L CB 2.319 44.367 42.059 -0.018 0.000 1.482 24 L HN 0.555 nan 8.230 nan 0.000 0.408 25 S N 0.223 116.113 115.700 0.316 0.000 2.558 25 S HA -0.001 4.469 4.470 -0.000 0.000 0.288 25 S C 0.064 174.958 174.600 0.490 0.000 1.318 25 S CA 0.349 58.786 58.200 0.395 0.000 1.056 25 S CB 0.168 63.582 63.200 0.356 0.000 0.853 25 S HN 0.453 nan 8.310 nan 0.000 0.505 26 W N 2.417 123.818 121.300 0.169 0.000 3.139 26 W HA 0.177 4.837 4.660 -0.000 0.000 0.260 26 W C 2.248 178.788 176.519 0.034 0.000 1.312 26 W CA 0.515 57.976 57.345 0.192 0.000 1.606 26 W CB -0.825 28.771 29.460 0.228 0.000 1.118 26 W HN 0.949 nan 8.180 nan 0.000 0.675 27 T N -6.212 108.475 114.554 0.222 0.000 2.964 27 T HA 0.114 4.463 4.350 -0.000 0.000 0.250 27 T C 0.825 175.501 174.700 -0.040 0.000 0.982 27 T CA 0.113 62.260 62.100 0.078 0.000 0.959 27 T CB -0.233 68.690 68.868 0.092 0.000 1.141 27 T HN -0.279 nan 8.240 nan 0.000 0.494 28 T N 4.499 119.022 114.554 -0.051 0.000 2.817 28 T HA 0.155 4.505 4.350 -0.000 0.000 0.295 28 T C 1.038 175.520 174.700 -0.364 0.000 0.958 28 T CA 0.177 62.108 62.100 -0.281 0.000 1.157 28 T CB 0.930 69.567 68.868 -0.386 0.000 0.898 28 T HN 0.502 nan 8.240 nan 0.000 0.536 29 D N 3.386 123.559 120.400 -0.378 0.000 2.106 29 D HA -0.268 4.372 4.640 -0.000 0.000 0.191 29 D C 1.623 177.782 176.300 -0.235 0.000 0.997 29 D CA 1.720 55.560 54.000 -0.267 0.000 0.834 29 D CB -0.731 39.964 40.800 -0.175 0.000 0.956 29 D HN 0.826 nan 8.370 nan 0.000 0.448 30 Y N -2.126 118.067 120.300 -0.179 0.000 2.632 30 Y HA 0.230 4.780 4.550 -0.000 0.000 0.301 30 Y C 1.050 176.895 175.900 -0.092 0.000 1.172 30 Y CA -0.295 57.697 58.100 -0.181 0.000 1.328 30 Y CB -0.687 37.624 38.460 -0.249 0.000 1.016 30 Y HN -0.147 nan 8.280 nan 0.000 0.529 31 F N 0.343 120.186 119.950 -0.177 0.000 2.678 31 F HA 0.257 4.784 4.527 -0.000 0.000 0.305 31 F C 0.542 176.134 175.800 -0.348 0.000 1.090 31 F CA -1.118 56.774 58.000 -0.180 0.000 1.272 31 F CB -0.497 38.428 39.000 -0.125 0.000 1.060 31 F HN -0.184 nan 8.300 nan 0.000 0.576 32 T N 1.330 115.816 114.554 -0.113 0.000 2.834 32 T HA 0.091 4.441 4.350 -0.000 0.000 0.298 32 T C -0.493 174.133 174.700 -0.123 0.000 0.966 32 T CA 0.394 62.392 62.100 -0.169 0.000 1.141 32 T CB 0.173 68.920 68.868 -0.201 0.000 0.905 32 T HN -0.118 nan 8.240 nan 0.000 0.535 33 Y N 1.928 122.371 120.300 0.238 0.000 2.320 33 Y HA 0.475 5.025 4.550 -0.000 0.000 0.324 33 Y C -0.133 175.893 175.900 0.209 0.000 1.190 33 Y CA -1.012 57.191 58.100 0.171 0.000 1.215 33 Y CB 0.837 39.345 38.460 0.079 0.000 1.221 33 Y HN 0.597 nan 8.280 nan 0.000 0.486 34 Y N 1.944 122.311 120.300 0.113 0.000 2.406 34 Y HA 0.335 4.885 4.550 -0.000 0.000 0.340 34 Y C -0.749 175.043 175.900 -0.180 0.000 0.975 34 Y CA -1.512 56.579 58.100 -0.014 0.000 1.056 34 Y CB 1.385 39.829 38.460 -0.027 0.000 1.210 34 Y HN 0.680 nan 8.280 nan 0.000 0.448 35 E N 4.423 124.225 120.200 -0.665 0.000 2.227 35 E HA 0.739 5.089 4.350 -0.000 0.000 0.282 35 E C -1.400 174.633 176.600 -0.944 0.000 1.015 35 E CA -0.401 55.520 56.400 -0.797 0.000 0.823 35 E CB 0.840 30.205 29.700 -0.559 0.000 1.081 35 E HN 0.814 nan 8.360 nan 0.000 0.396 36 A N 4.312 126.647 122.820 -0.809 0.000 2.602 36 A HA 0.427 4.746 4.320 -0.000 0.000 0.290 36 A C -1.840 175.345 177.584 -0.665 0.000 1.114 36 A CA -0.623 51.033 52.037 -0.636 0.000 0.683 36 A CB 1.537 20.282 19.000 -0.425 0.000 1.281 36 A HN 0.817 nan 8.150 nan 0.000 0.416 37 H N 0.278 119.042 119.070 -0.510 0.000 2.782 37 H HA 0.623 5.179 4.556 -0.000 0.000 0.347 37 H C -2.088 173.167 175.328 -0.121 0.000 1.038 37 H CA -0.717 55.109 56.048 -0.370 0.000 1.255 37 H CB 1.019 30.656 29.762 -0.208 0.000 1.623 37 H HN 0.431 nan 8.280 nan 0.000 0.525 38 L N 5.917 127.175 121.223 0.058 0.000 2.325 38 L HA 0.377 4.716 4.340 -0.000 0.000 0.281 38 L C -0.869 175.993 176.870 -0.014 0.000 1.004 38 L CA -0.629 54.223 54.840 0.020 0.000 0.823 38 L CB 1.756 43.932 42.059 0.195 0.000 1.236 38 L HN 0.390 nan 8.230 nan 0.000 0.415 39 V N 2.224 122.041 119.914 -0.162 0.000 2.588 39 V HA 0.772 4.892 4.120 -0.000 0.000 0.304 39 V C -0.080 175.867 176.094 -0.244 0.000 1.042 39 V CA -0.369 61.822 62.300 -0.181 0.000 0.877 39 V CB 2.063 33.753 31.823 -0.221 0.000 0.996 39 V HN 0.789 nan 8.190 nan 0.000 0.425 40 T N 4.647 118.972 114.554 -0.382 0.000 2.841 40 T HA 0.463 4.813 4.350 -0.000 0.000 0.296 40 T C -2.140 172.378 174.700 -0.304 0.000 1.166 40 T CA -1.091 60.734 62.100 -0.458 0.000 1.007 40 T CB 2.295 70.553 68.868 -1.017 0.000 1.253 40 T HN 0.425 nan 8.240 nan 0.000 0.511 41 P HA 0.032 nan 4.420 nan 0.000 0.220 41 P C 0.552 177.807 177.300 -0.075 0.000 1.148 41 P CA 0.897 63.935 63.100 -0.103 0.000 0.803 41 P CB 0.264 31.927 31.700 -0.063 0.000 0.782 42 D N -1.893 118.440 120.400 -0.113 0.000 2.367 42 D HA 0.129 4.769 4.640 -0.000 0.000 0.207 42 D C 0.443 176.834 176.300 0.152 0.000 1.034 42 D CA 0.530 54.550 54.000 0.033 0.000 0.861 42 D CB 0.412 41.296 40.800 0.140 0.000 0.943 42 D HN 0.255 nan 8.370 nan 0.000 0.515 43 F N -0.450 119.538 119.950 0.063 0.000 2.770 43 F HA 0.524 5.051 4.527 -0.000 0.000 0.313 43 F C -1.592 174.245 175.800 0.062 0.000 1.154 43 F CA -1.357 56.674 58.000 0.053 0.000 0.923 43 F CB 1.465 40.486 39.000 0.035 0.000 1.301 43 F HN -0.314 nan 8.300 nan 0.000 0.449 44 E N 1.964 122.406 120.200 0.403 0.000 2.290 44 E HA 0.729 5.079 4.350 -0.000 0.000 0.274 44 E C -2.060 174.721 176.600 0.303 0.000 0.889 44 E CA -0.697 55.888 56.400 0.309 0.000 0.760 44 E CB 2.310 32.139 29.700 0.214 0.000 1.206 44 E HN 0.757 nan 8.360 nan 0.000 0.419 45 I N 3.564 124.313 120.570 0.298 0.000 2.619 45 I HA 0.426 4.596 4.170 -0.000 0.000 0.292 45 I C -1.432 174.755 176.117 0.116 0.000 1.100 45 I CA -1.097 60.300 61.300 0.160 0.000 1.043 45 I CB 1.861 39.935 38.000 0.123 0.000 1.239 45 I HN 0.540 nan 8.210 nan 0.000 0.420 46 Y N 3.626 123.777 120.300 -0.249 0.000 2.477 46 Y HA 0.862 5.412 4.550 -0.000 0.000 0.347 46 Y C 0.056 175.696 175.900 -0.434 0.000 0.981 46 Y CA -0.147 57.684 58.100 -0.447 0.000 1.033 46 Y CB 2.256 40.157 38.460 -0.932 0.000 1.245 46 Y HN 0.821 nan 8.280 nan 0.000 0.455 47 G N 1.578 110.111 108.800 -0.444 0.000 2.352 47 G HA2 0.513 4.472 3.960 -0.000 0.000 0.283 47 G HA3 0.513 4.472 3.960 -0.000 0.000 0.283 47 G C -2.087 172.446 174.900 -0.611 0.000 1.308 47 G CA -0.328 44.627 45.100 -0.241 0.000 0.892 47 G HN 1.069 nan 8.290 nan 0.000 0.504 48 A N -1.247 121.153 122.820 -0.699 0.000 2.330 48 A HA 1.002 5.322 4.320 -0.000 0.000 0.329 48 A C 0.034 177.542 177.584 -0.125 0.000 1.135 48 A CA 0.235 51.848 52.037 -0.708 0.000 0.817 48 A CB 2.067 20.208 19.000 -1.431 0.000 1.269 48 A HN 1.955 nan 8.150 nan 0.000 0.469 49 T N -0.338 114.273 114.554 0.095 0.000 2.786 49 T HA 0.409 4.758 4.350 -0.000 0.000 0.316 49 T C -1.382 173.507 174.700 0.316 0.000 1.503 49 T CA -0.467 61.798 62.100 0.275 0.000 1.019 49 T CB 1.144 70.066 68.868 0.090 0.000 1.415 49 T HN 0.722 nan 8.240 nan 0.000 0.496 50 Q N 1.976 121.904 119.800 0.213 0.000 2.352 50 Q HA 0.459 4.799 4.340 -0.000 0.000 0.260 50 Q C 0.481 176.512 176.000 0.052 0.000 0.976 50 Q CA -0.209 55.626 55.803 0.053 0.000 0.881 50 Q CB 0.328 29.093 28.738 0.044 0.000 1.235 50 Q HN 0.640 nan 8.270 nan 0.000 0.419 51 I N -1.084 119.492 120.570 0.011 0.000 2.880 51 I HA 0.198 4.368 4.170 -0.000 0.000 0.296 51 I C 1.122 177.217 176.117 -0.037 0.000 1.220 51 I CA 0.715 61.989 61.300 -0.044 0.000 1.435 51 I CB -0.003 37.933 38.000 -0.106 0.000 1.339 51 I HN 0.808 nan 8.210 nan 0.000 0.583 52 G N 4.108 112.872 108.800 -0.060 0.000 2.241 52 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.244 52 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.244 52 G C -0.128 174.756 174.900 -0.028 0.000 0.998 52 G CA -0.059 45.013 45.100 -0.047 0.000 0.621 52 G HN 0.582 nan 8.290 nan 0.000 0.519 53 L N 2.541 123.759 121.223 -0.009 0.000 2.305 53 L HA 0.517 4.856 4.340 -0.000 0.000 0.281 53 L C -0.191 176.673 176.870 -0.009 0.000 1.085 53 L CA -1.517 53.321 54.840 -0.003 0.000 0.813 53 L CB 1.076 43.141 42.059 0.009 0.000 1.157 53 L HN 0.038 nan 8.230 nan 0.000 0.436 54 P HA 0.036 nan 4.420 nan 0.000 0.245 54 P C -0.293 177.001 177.300 -0.009 0.000 1.206 54 P CA 0.386 63.470 63.100 -0.027 0.000 0.781 54 P CB 0.380 32.050 31.700 -0.051 0.000 0.994 55 V N -2.608 117.305 119.914 -0.002 0.000 2.769 55 V HA 0.510 4.630 4.120 -0.000 0.000 0.312 55 V C -0.109 175.966 176.094 -0.032 0.000 1.061 55 V CA -1.474 60.840 62.300 0.024 0.000 0.931 55 V CB 2.257 34.122 31.823 0.071 0.000 1.010 55 V HN -0.229 nan 8.190 nan 0.000 0.433 56 I N 4.079 124.642 120.570 -0.012 0.000 2.379 56 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 56 I C 1.438 177.490 176.117 -0.108 0.000 1.063 56 I CA -0.167 61.107 61.300 -0.043 0.000 1.351 56 I CB 1.043 39.024 38.000 -0.030 0.000 1.410 56 I HN 0.742 nan 8.210 nan 0.000 0.505 57 R N 4.212 124.598 120.500 -0.190 0.000 2.100 57 R HA 0.075 4.415 4.340 -0.000 0.000 0.220 57 R C -0.106 175.982 176.300 -0.353 0.000 1.091 57 R CA 1.043 56.874 56.100 -0.449 0.000 0.986 57 R CB 0.104 30.053 30.300 -0.585 0.000 0.888 57 R HN 0.382 nan 8.270 nan 0.000 0.444 58 F N 1.012 120.937 119.950 -0.041 0.000 2.318 58 F HA 0.428 4.954 4.527 -0.000 0.000 0.356 58 F C 0.145 176.026 175.800 0.135 0.000 1.109 58 F CA -0.770 57.276 58.000 0.075 0.000 1.234 58 F CB 1.023 40.056 39.000 0.055 0.000 1.545 58 F HN -0.054 nan 8.300 nan 0.000 0.534 59 A N 3.026 126.002 122.820 0.260 0.000 2.354 59 A HA 0.970 5.289 4.320 -0.000 0.000 0.321 59 A C -1.166 176.646 177.584 0.380 0.000 1.125 59 A CA -0.580 51.599 52.037 0.237 0.000 0.799 59 A CB 1.639 20.708 19.000 0.114 0.000 1.293 59 A HN 0.576 nan 8.150 nan 0.000 0.452 60 F N -0.184 119.898 119.950 0.221 0.000 2.719 60 F HA 0.740 5.267 4.527 -0.000 0.000 0.309 60 F C -0.894 175.026 175.800 0.200 0.000 1.138 60 F CA -0.927 57.206 58.000 0.223 0.000 0.943 60 F CB 0.887 40.027 39.000 0.234 0.000 1.304 60 F HN 0.779 nan 8.300 nan 0.000 0.445 61 N N -0.622 118.311 118.700 0.388 0.000 3.522 61 N HA 0.246 4.986 4.740 -0.000 0.000 0.328 61 N C -0.166 175.549 175.510 0.342 0.000 1.623 61 N CA -0.655 52.530 53.050 0.225 0.000 0.812 61 N CB 0.176 38.764 38.487 0.168 0.000 2.008 61 N HN 0.531 nan 8.380 nan 0.000 0.601 62 Q N -0.632 119.303 119.800 0.225 0.000 2.364 62 Q HA -0.004 4.336 4.340 -0.000 0.000 0.207 62 Q C 1.050 177.210 176.000 0.266 0.000 0.970 62 Q CA 1.053 56.979 55.803 0.205 0.000 0.888 62 Q CB 0.055 28.872 28.738 0.132 0.000 0.951 62 Q HN 0.630 nan 8.270 nan 0.000 0.469 63 R N -0.742 119.913 120.500 0.259 0.000 2.225 63 R HA 0.188 4.527 4.340 -0.000 0.000 0.194 63 R C 0.721 177.022 176.300 0.001 0.000 0.949 63 R CA 0.357 56.556 56.100 0.165 0.000 1.088 63 R CB 0.611 30.970 30.300 0.099 0.000 1.106 63 R HN 0.234 nan 8.270 nan 0.000 0.566 64 M N -2.495 117.132 119.600 0.044 0.000 2.843 64 M HA 0.692 5.172 4.480 -0.000 0.000 0.273 64 M C -1.032 175.276 176.300 0.014 0.000 1.286 64 M CA -0.959 54.122 55.300 -0.364 0.000 0.807 64 M CB 2.379 34.776 32.600 -0.338 0.000 1.684 64 M HN -0.047 nan 8.290 nan 0.000 0.458 65 G N 0.691 109.356 108.800 -0.226 0.000 2.667 65 G HA2 0.656 4.615 3.960 -0.000 0.000 0.294 65 G HA3 0.656 4.615 3.960 -0.000 0.000 0.294 65 G C -1.869 173.008 174.900 -0.039 0.000 1.467 65 G CA -0.783 44.412 45.100 0.159 0.000 0.852 65 G HN 1.319 nan 8.290 nan 0.000 0.521 66 I N -2.026 118.620 120.570 0.127 0.000 3.174 66 I HA 0.967 5.136 4.170 -0.000 0.000 0.313 66 I C -0.738 175.473 176.117 0.157 0.000 1.155 66 I CA -1.005 60.367 61.300 0.120 0.000 0.977 66 I CB 2.481 40.582 38.000 0.168 0.000 1.248 66 I HN 0.688 nan 8.210 nan 0.000 0.453 67 T N 1.244 115.868 114.554 0.116 0.000 2.821 67 T HA 0.567 4.917 4.350 -0.000 0.000 0.306 67 T C -1.568 173.106 174.700 -0.043 0.000 1.313 67 T CA -0.641 61.504 62.100 0.074 0.000 1.012 67 T CB 1.672 70.693 68.868 0.255 0.000 1.298 67 T HN 0.890 nan 8.240 nan 0.000 0.502 68 N N 0.543 119.126 118.700 -0.194 0.000 2.265 68 N HA 0.785 5.525 4.740 -0.000 0.000 0.300 68 N C -1.141 174.430 175.510 0.102 0.000 1.148 68 N CA -0.739 52.231 53.050 -0.132 0.000 0.772 68 N CB 2.244 40.418 38.487 -0.522 0.000 1.434 68 N HN 0.785 nan 8.380 nan 0.000 0.481 69 T N -3.168 111.463 114.554 0.129 0.000 2.864 69 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 69 T C -0.856 173.989 174.700 0.241 0.000 1.166 69 T CA -0.772 61.422 62.100 0.155 0.000 1.007 69 T CB 0.738 69.676 68.868 0.117 0.000 1.219 69 T HN 0.126 nan 8.240 nan 0.000 0.506 70 V N 3.618 123.669 119.914 0.228 0.000 2.488 70 V HA 0.277 4.397 4.120 -0.000 0.000 0.277 70 V C 1.084 177.256 176.094 0.129 0.000 1.046 70 V CA -0.337 62.110 62.300 0.246 0.000 0.986 70 V CB 0.624 32.566 31.823 0.198 0.000 0.989 70 V HN 1.046 nan 8.190 nan 0.000 0.475 71 N N 2.986 121.712 118.700 0.043 0.000 2.197 71 N HA 0.120 4.860 4.740 -0.000 0.000 0.201 71 N C 1.154 176.641 175.510 -0.039 0.000 1.148 71 N CA 0.553 53.580 53.050 -0.038 0.000 0.883 71 N CB 0.650 38.936 38.487 -0.336 0.000 1.012 71 N HN 0.934 nan 8.380 nan 0.000 0.507 72 G N 1.405 110.176 108.800 -0.049 0.000 2.273 72 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.280 72 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.280 72 G C -0.012 174.859 174.900 -0.047 0.000 1.047 72 G CA 0.431 45.514 45.100 -0.027 0.000 0.869 72 G HN 0.562 nan 8.290 nan 0.000 0.502 73 M N 0.382 119.889 119.600 -0.155 0.000 2.336 73 M HA 0.268 4.747 4.480 -0.000 0.000 0.371 73 M C 0.650 176.912 176.300 -0.063 0.000 1.542 73 M CA 0.348 55.564 55.300 -0.139 0.000 0.959 73 M CB 0.601 33.049 32.600 -0.253 0.000 2.033 73 M HN 0.235 nan 8.290 nan 0.000 0.472 74 V N 7.209 127.124 119.914 0.002 0.000 2.229 74 V HA 0.255 4.375 4.120 -0.000 0.000 0.245 74 V C 1.339 177.396 176.094 -0.062 0.000 1.243 74 V CA 0.493 62.795 62.300 0.004 0.000 1.176 74 V CB -0.838 31.024 31.823 0.065 0.000 1.323 74 V HN 1.064 nan 8.190 nan 0.000 0.499 75 G N 2.743 111.499 108.800 -0.073 0.000 3.284 75 G HA2 0.536 4.496 3.960 -0.000 0.000 0.236 75 G HA3 0.536 4.496 3.960 -0.000 0.000 0.236 75 G C 0.371 175.257 174.900 -0.023 0.000 1.158 75 G CA 0.648 45.681 45.100 -0.111 0.000 0.774 75 G HN 0.791 nan 8.290 nan 0.000 0.545 76 A N -0.424 122.426 122.820 0.050 0.000 2.475 76 A HA 0.814 5.134 4.320 -0.000 0.000 0.301 76 A C -0.642 177.069 177.584 0.212 0.000 1.059 76 A CA -0.430 51.716 52.037 0.183 0.000 0.710 76 A CB 1.662 20.730 19.000 0.114 0.000 1.288 76 A HN 0.034 nan 8.150 nan 0.000 0.408 77 T N 2.240 116.991 114.554 0.328 0.000 2.841 77 T HA 0.449 4.799 4.350 -0.000 0.000 0.283 77 T C -0.740 173.960 174.700 -0.001 0.000 1.000 77 T CA -0.658 61.541 62.100 0.165 0.000 0.977 77 T CB 1.033 70.058 68.868 0.261 0.000 0.979 77 T HN 0.562 nan 8.240 nan 0.000 0.446 78 N N 2.405 121.023 118.700 -0.137 0.000 2.437 78 N HA 0.325 5.065 4.740 -0.000 0.000 0.259 78 N C -1.356 174.023 175.510 -0.219 0.000 0.983 78 N CA -0.298 52.696 53.050 -0.092 0.000 0.937 78 N CB 1.044 39.487 38.487 -0.073 0.000 1.122 78 N HN 0.527 nan 8.380 nan 0.000 0.499 79 Y N 0.506 120.741 120.300 -0.110 0.000 2.330 79 Y HA 0.315 4.865 4.550 -0.000 0.000 0.336 79 Y C 1.026 176.820 175.900 -0.176 0.000 1.036 79 Y CA -0.802 57.178 58.100 -0.201 0.000 1.125 79 Y CB 1.430 39.637 38.460 -0.422 0.000 1.194 79 Y HN 0.180 nan 8.280 nan 0.000 0.469 80 R N 4.525 125.032 120.500 0.012 0.000 2.248 80 R HA 0.394 4.733 4.340 -0.000 0.000 0.328 80 R C -1.210 175.111 176.300 0.035 0.000 1.067 80 R CA -0.195 55.910 56.100 0.009 0.000 0.924 80 R CB 0.130 30.424 30.300 -0.011 0.000 1.013 80 R HN 0.775 nan 8.270 nan 0.000 0.454 81 L N 2.875 124.122 121.223 0.041 0.000 2.399 81 L HA 0.358 4.698 4.340 -0.000 0.000 0.265 81 L C 0.218 177.164 176.870 0.126 0.000 1.089 81 L CA -0.605 54.285 54.840 0.084 0.000 0.802 81 L CB 1.896 44.009 42.059 0.090 0.000 1.180 81 L HN 0.586 nan 8.230 nan 0.000 0.454 82 T N 3.256 117.912 114.554 0.170 0.000 2.874 82 T HA 0.449 4.799 4.350 -0.000 0.000 0.321 82 T C -0.034 174.767 174.700 0.169 0.000 1.075 82 T CA -0.465 61.722 62.100 0.146 0.000 0.966 82 T CB 0.273 69.219 68.868 0.130 0.000 1.001 82 T HN 0.249 nan 8.240 nan 0.000 0.476 83 L N 3.537 124.857 121.223 0.161 0.000 2.380 83 L HA 0.539 4.879 4.340 -0.000 0.000 0.273 83 L C 0.329 177.264 176.870 0.108 0.000 1.138 83 L CA -0.237 54.709 54.840 0.176 0.000 0.832 83 L CB 0.693 42.870 42.059 0.197 0.000 1.124 83 L HN 0.584 nan 8.230 nan 0.000 0.454 84 Q N 2.314 122.161 119.800 0.078 0.000 2.443 84 Q HA 0.110 4.450 4.340 -0.000 0.000 0.258 84 Q C -1.415 174.592 176.000 0.011 0.000 0.967 84 Q CA -0.629 55.197 55.803 0.039 0.000 0.951 84 Q CB 1.606 30.358 28.738 0.022 0.000 1.459 84 Q HN 0.701 nan 8.270 nan 0.000 0.415 85 D N 2.881 123.292 120.400 0.018 0.000 2.708 85 D HA -0.225 4.415 4.640 -0.000 0.000 0.236 85 D C 0.686 176.993 176.300 0.011 0.000 1.146 85 D CA 2.003 56.007 54.000 0.007 0.000 0.662 85 D CB -1.289 39.502 40.800 -0.015 0.000 1.059 85 D HN 1.149 nan 8.370 nan 0.000 0.428 86 G N -1.805 107.026 108.800 0.052 0.000 2.179 86 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.260 86 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.260 86 G C 0.654 175.613 174.900 0.097 0.000 0.977 86 G CA 0.717 45.871 45.100 0.090 0.000 0.641 86 G HN 1.037 nan 8.290 nan 0.000 0.533 87 G N -0.979 107.803 108.800 -0.029 0.000 3.195 87 G HA2 0.854 4.814 3.960 -0.000 0.000 0.217 87 G HA3 0.854 4.814 3.960 -0.000 0.000 0.217 87 G C -0.780 173.942 174.900 -0.296 0.000 1.166 87 G CA -0.137 44.774 45.100 -0.315 0.000 0.812 87 G HN 1.333 nan 8.290 nan 0.000 0.617 88 Y N -1.476 118.540 120.300 -0.472 0.000 2.553 88 Y HA 0.764 5.314 4.550 -0.000 0.000 0.347 88 Y C -0.736 175.109 175.900 -0.093 0.000 1.019 88 Y CA -1.590 56.367 58.100 -0.237 0.000 1.032 88 Y CB 1.430 39.727 38.460 -0.272 0.000 1.284 88 Y HN 0.432 nan 8.280 nan 0.000 0.466 89 L N 3.698 124.977 121.223 0.094 0.000 2.367 89 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 89 L C -1.376 175.638 176.870 0.240 0.000 1.129 89 L CA -0.338 54.547 54.840 0.075 0.000 0.839 89 L CB 0.569 42.681 42.059 0.089 0.000 1.133 89 L HN 0.834 nan 8.230 nan 0.000 0.453 90 Y N 3.673 123.950 120.300 -0.038 0.000 2.307 90 Y HA 0.171 4.721 4.550 -0.000 0.000 0.323 90 Y C -0.318 175.571 175.900 -0.019 0.000 1.100 90 Y CA -1.235 56.878 58.100 0.022 0.000 1.140 90 Y CB 0.789 39.248 38.460 -0.001 0.000 1.159 90 Y HN 0.669 nan 8.280 nan 0.000 0.436 91 D N 4.327 124.570 120.400 -0.261 0.000 2.708 91 D HA -0.172 4.468 4.640 -0.000 0.000 0.236 91 D C 1.232 177.475 176.300 -0.094 0.000 1.146 91 D CA 2.181 56.049 54.000 -0.221 0.000 0.662 91 D CB -1.106 39.513 40.800 -0.302 0.000 1.059 91 D HN 1.282 nan 8.370 nan 0.000 0.428 92 G N -0.816 107.954 108.800 -0.049 0.000 2.184 92 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.264 92 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.264 92 G C 0.213 175.095 174.900 -0.030 0.000 0.975 92 G CA 0.745 45.827 45.100 -0.029 0.000 0.642 92 G HN 0.536 nan 8.290 nan 0.000 0.536 93 Q N -0.761 119.019 119.800 -0.034 0.000 2.377 93 Q HA 0.616 4.956 4.340 -0.000 0.000 0.271 93 Q C -0.317 175.623 176.000 -0.099 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 3.249 123.085 119.914 -0.130 0.000 2.427 94 V HA 0.203 4.322 4.120 -0.000 0.000 0.268 94 V C 0.066 175.967 176.094 -0.322 0.000 1.046 94 V CA -0.146 62.026 62.300 -0.214 0.000 0.970 94 V CB 0.185 31.919 31.823 -0.149 0.000 1.001 94 V HN 0.539 nan 8.190 nan 0.000 0.476 95 R N 6.475 126.605 120.500 -0.616 0.000 2.540 95 R HA 0.544 4.884 4.340 -0.000 0.000 0.287 95 R C -2.567 173.306 176.300 -0.712 0.000 0.980 95 R CA -2.372 53.302 56.100 -0.710 0.000 0.966 95 R CB 1.790 31.442 30.300 -1.080 0.000 1.106 95 R HN 0.402 nan 8.270 nan 0.000 0.480 96 P HA 0.285 nan 4.420 nan 0.000 0.284 96 P C -0.708 176.544 177.300 -0.080 0.000 1.258 96 P CA -0.413 62.559 63.100 -0.214 0.000 0.824 96 P CB 0.639 32.284 31.700 -0.091 0.000 1.038 97 F N 0.151 120.170 119.950 0.116 0.000 2.380 97 F HA 0.262 4.789 4.527 -0.000 0.000 0.325 97 F C 1.474 177.301 175.800 0.045 0.000 1.136 97 F CA -0.140 57.937 58.000 0.129 0.000 1.171 97 F CB 0.518 39.567 39.000 0.082 0.000 1.230 97 F HN 0.312 nan 8.300 nan 0.000 0.554 98 E N 2.815 123.164 120.200 0.249 0.000 2.115 98 E HA 0.323 4.673 4.350 -0.000 0.000 0.282 98 E C -0.820 175.825 176.600 0.074 0.000 0.987 98 E CA -0.564 55.902 56.400 0.110 0.000 0.797 98 E CB 0.593 30.329 29.700 0.060 0.000 1.086 98 E HN 0.538 nan 8.360 nan 0.000 0.397 99 R N 3.302 123.832 120.500 0.050 0.000 2.668 99 R HA 0.573 4.912 4.340 -0.000 0.000 0.279 99 R C -0.306 175.989 176.300 -0.009 0.000 0.976 99 R CA -0.858 55.245 56.100 0.005 0.000 0.978 99 R CB 1.827 32.133 30.300 0.010 0.000 1.133 99 R HN 0.389 nan 8.270 nan 0.000 0.484 100 R N 1.097 121.580 120.500 -0.028 0.000 2.522 100 R HA 0.121 4.461 4.340 -0.000 0.000 0.283 100 R C -1.287 174.996 176.300 -0.027 0.000 1.074 100 R CA -0.600 55.486 56.100 -0.023 0.000 0.925 100 R CB 1.497 31.783 30.300 -0.023 0.000 1.205 100 R HN 0.430 nan 8.270 nan 0.000 0.436 101 Q N 2.516 122.305 119.800 -0.019 0.000 2.349 101 Q HA 0.447 4.787 4.340 -0.000 0.000 0.254 101 Q C -0.676 175.317 176.000 -0.012 0.000 0.980 101 Q CA -0.141 55.651 55.803 -0.019 0.000 0.924 101 Q CB 1.747 30.474 28.738 -0.019 0.000 1.209 101 Q HN 0.684 nan 8.270 nan 0.000 0.445 102 A N 1.822 124.639 122.820 -0.005 0.000 2.392 102 A HA 0.882 5.202 4.320 -0.000 0.000 0.283 102 A C -0.443 177.149 177.584 0.014 0.000 1.197 102 A CA -0.562 51.484 52.037 0.014 0.000 0.895 102 A CB 1.923 20.942 19.000 0.032 0.000 1.400 102 A HN 0.546 nan 8.150 nan 0.000 0.461 103 S N -2.034 113.689 115.700 0.039 0.000 2.567 103 S HA 0.702 5.171 4.470 -0.000 0.000 0.270 103 S C -1.880 172.776 174.600 0.093 0.000 1.152 103 S CA -0.371 57.826 58.200 -0.006 0.000 0.835 103 S CB 1.224 64.398 63.200 -0.045 0.000 1.115 103 S HN 1.735 nan 8.310 nan 0.000 0.459 104 Y N 0.141 120.433 120.300 -0.013 0.000 2.609 104 Y HA 0.743 5.293 4.550 -0.000 0.000 0.336 104 Y C -0.932 174.963 175.900 -0.009 0.000 1.129 104 Y CA -1.216 56.877 58.100 -0.010 0.000 1.040 104 Y CB 0.706 39.161 38.460 -0.009 0.000 1.310 104 Y HN 0.646 nan 8.280 nan 0.000 0.460 105 R N 1.512 122.134 120.500 0.203 0.000 2.486 105 R HA 0.667 5.007 4.340 -0.000 0.000 0.286 105 R C -1.676 174.748 176.300 0.207 0.000 0.999 105 R CA -1.117 55.045 56.100 0.105 0.000 0.993 105 R CB 1.774 32.114 30.300 0.066 0.000 1.084 105 R HN 0.731 nan 8.270 nan 0.000 0.487 106 L N 2.212 123.500 121.223 0.108 0.000 2.376 106 L HA 0.384 4.724 4.340 -0.000 0.000 0.275 106 L C -0.516 176.390 176.870 0.060 0.000 0.987 106 L CA -0.484 54.431 54.840 0.126 0.000 0.828 106 L CB 1.545 43.678 42.059 0.123 0.000 1.249 106 L HN 0.492 nan 8.230 nan 0.000 0.409 107 R N 3.592 124.123 120.500 0.051 0.000 2.389 107 R HA 0.328 4.668 4.340 -0.000 0.000 0.295 107 R C -0.497 175.816 176.300 0.022 0.000 1.075 107 R CA -0.344 55.773 56.100 0.028 0.000 1.005 107 R CB 0.617 30.929 30.300 0.021 0.000 0.987 107 R HN 0.632 nan 8.270 nan 0.000 0.452 108 Q N 2.212 122.020 119.800 0.013 0.000 2.199 108 Q HA 0.201 4.541 4.340 -0.000 0.000 0.232 108 Q C 0.807 176.810 176.000 0.006 0.000 0.969 108 Q CA 0.178 55.986 55.803 0.009 0.000 0.925 108 Q CB 1.311 30.052 28.738 0.004 0.000 1.198 108 Q HN 0.828 nan 8.270 nan 0.000 0.494 109 A N 1.163 123.986 122.820 0.004 0.000 2.019 109 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 109 A C 1.189 178.773 177.584 0.000 0.000 1.164 109 A CA 2.026 54.065 52.037 0.002 0.000 0.644 109 A CB -0.405 18.596 19.000 0.001 0.000 0.805 109 A HN 0.770 nan 8.150 nan 0.000 0.449 110 D N -2.640 117.761 120.400 0.000 0.000 2.355 110 D HA 0.268 4.908 4.640 -0.000 0.000 0.218 110 D C 1.217 177.517 176.300 -0.001 0.000 1.004 110 D CA 1.135 55.134 54.000 -0.001 0.000 0.880 110 D CB -0.366 40.433 40.800 -0.002 0.000 0.911 110 D HN 0.762 nan 8.370 nan 0.000 0.528 111 G N -0.365 108.435 108.800 0.000 0.000 2.218 111 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.216 111 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.216 111 G C 0.543 175.444 174.900 0.001 0.000 0.994 111 G CA 0.295 45.395 45.100 0.000 0.000 0.637 111 G HN 0.761 nan 8.290 nan 0.000 0.505 112 T N -0.477 114.078 114.554 0.001 0.000 2.824 112 T HA 0.705 5.055 4.350 -0.000 0.000 0.277 112 T C 0.378 175.080 174.700 0.003 0.000 0.975 112 T CA 0.668 62.769 62.100 0.000 0.000 0.966 112 T CB 1.839 70.706 68.868 -0.002 0.000 1.054 112 T HN 1.316 nan 8.240 nan 0.000 0.533 113 T N -1.827 112.728 114.554 0.002 0.000 2.916 113 T HA 0.703 5.052 4.350 -0.000 0.000 0.292 113 T C -0.273 174.423 174.700 -0.007 0.000 1.055 113 T CA -0.688 61.414 62.100 0.004 0.000 1.009 113 T CB 1.317 70.191 68.868 0.010 0.000 1.118 113 T HN 1.295 nan 8.240 nan 0.000 0.497 114 V N -1.338 118.569 119.914 -0.013 0.000 2.914 114 V HA 0.722 4.842 4.120 -0.000 0.000 0.314 114 V C -1.337 174.720 176.094 -0.061 0.000 1.084 114 V CA -1.065 61.215 62.300 -0.033 0.000 0.963 114 V CB 1.954 33.757 31.823 -0.034 0.000 1.025 114 V HN 0.887 nan 8.190 nan 0.000 0.432 115 D N 2.540 122.892 120.400 -0.081 0.000 2.249 115 D HA 0.450 5.090 4.640 -0.000 0.000 0.246 115 D C -0.385 175.797 176.300 -0.196 0.000 1.114 115 D CA 0.053 53.978 54.000 -0.125 0.000 0.854 115 D CB 1.685 42.432 40.800 -0.089 0.000 1.132 115 D HN 0.576 nan 8.370 nan 0.000 0.461 116 K N 3.233 123.414 120.400 -0.365 0.000 2.323 116 K HA 0.366 4.686 4.320 -0.000 0.000 0.259 116 K C -2.462 173.872 176.600 -0.443 0.000 0.947 116 K CA -1.722 54.290 56.287 -0.457 0.000 0.819 116 K CB 2.528 34.590 32.500 -0.731 0.000 1.109 116 K HN 0.235 nan 8.250 nan 0.000 0.429 117 P HA 0.173 nan 4.420 nan 0.000 0.277 117 P C -1.147 176.085 177.300 -0.113 0.000 1.240 117 P CA -0.642 62.368 63.100 -0.151 0.000 0.798 117 P CB 0.979 32.623 31.700 -0.094 0.000 0.979 118 L N 1.108 122.308 121.223 -0.039 0.000 2.491 118 L HA 0.400 4.740 4.340 -0.000 0.000 0.267 118 L C -0.463 176.402 176.870 -0.007 0.000 0.971 118 L CA -0.566 54.290 54.840 0.027 0.000 0.857 118 L CB 1.629 43.787 42.059 0.166 0.000 1.226 118 L HN 0.348 nan 8.230 nan 0.000 0.408 119 E N 4.953 125.131 120.200 -0.038 0.000 2.227 119 E HA 0.458 4.807 4.350 -0.000 0.000 0.282 119 E C -1.097 175.440 176.600 -0.104 0.000 1.015 119 E CA -0.481 55.880 56.400 -0.065 0.000 0.823 119 E CB 0.965 30.619 29.700 -0.076 0.000 1.081 119 E HN 0.675 nan 8.360 nan 0.000 0.396 120 I N 5.315 125.822 120.570 -0.104 0.000 2.354 120 I HA 0.337 4.507 4.170 -0.000 0.000 0.286 120 I C 0.099 176.120 176.117 -0.159 0.000 1.007 120 I CA -0.496 60.715 61.300 -0.148 0.000 1.167 120 I CB 1.156 39.094 38.000 -0.103 0.000 1.320 120 I HN 0.361 nan 8.210 nan 0.000 0.458 121 R N 3.960 124.314 120.500 -0.244 0.000 2.604 121 R HA 0.734 5.074 4.340 -0.000 0.000 0.287 121 R C -0.830 175.352 176.300 -0.197 0.000 0.970 121 R CA -0.649 55.298 56.100 -0.255 0.000 0.946 121 R CB 2.238 32.220 30.300 -0.530 0.000 1.127 121 R HN 0.485 nan 8.270 nan 0.000 0.473 122 S N 0.414 116.095 115.700 -0.032 0.000 2.548 122 S HA 0.342 4.812 4.470 -0.000 0.000 0.276 122 S C -0.617 174.070 174.600 0.146 0.000 1.129 122 S CA -0.797 57.412 58.200 0.015 0.000 0.931 122 S CB 1.948 65.140 63.200 -0.012 0.000 1.068 122 S HN 0.712 nan 8.310 nan 0.000 0.480 123 S N 0.807 116.519 115.700 0.020 0.000 2.718 123 S HA 0.513 4.983 4.470 -0.000 0.000 0.292 123 S C 1.160 175.639 174.600 -0.203 0.000 1.125 123 S CA -0.505 57.563 58.200 -0.219 0.000 1.013 123 S CB 0.634 63.453 63.200 -0.635 0.000 1.192 123 S HN 0.516 nan 8.310 nan 0.000 0.535 124 V N 1.177 120.869 119.914 -0.371 0.000 2.720 124 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 124 V C 1.975 177.779 176.094 -0.483 0.000 1.082 124 V CA 2.123 64.161 62.300 -0.436 0.000 1.101 124 V CB -1.499 29.940 31.823 -0.640 0.000 0.693 124 V HN 0.896 nan 8.190 nan 0.000 0.479 125 H N 0.275 119.107 119.070 -0.397 0.000 2.333 125 H HA 0.469 5.024 4.556 -0.000 0.000 0.302 125 H C 1.074 176.275 175.328 -0.212 0.000 1.075 125 H CA 0.997 56.803 56.048 -0.403 0.000 1.348 125 H CB -0.161 29.269 29.762 -0.554 0.000 1.393 125 H HN 0.621 nan 8.280 nan 0.000 0.509 126 G N -1.288 107.510 108.800 -0.002 0.000 2.351 126 G HA2 0.135 4.095 3.960 -0.000 0.000 0.279 126 G HA3 0.135 4.095 3.960 -0.000 0.000 0.279 126 G C -2.823 172.085 174.900 0.014 0.000 1.297 126 G CA -1.188 43.922 45.100 0.015 0.000 0.886 126 G HN -0.110 nan 8.290 nan 0.000 0.493 127 P HA 0.362 nan 4.420 nan 0.000 0.266 127 P C -0.228 177.010 177.300 -0.103 0.000 1.195 127 P CA -0.111 62.944 63.100 -0.074 0.000 0.768 127 P CB 1.001 32.685 31.700 -0.025 0.000 0.838 128 V N 4.779 124.512 119.914 -0.302 0.000 2.398 128 V HA 0.420 4.539 4.120 -0.000 0.000 0.286 128 V C -0.176 175.637 176.094 -0.469 0.000 1.026 128 V CA -0.135 62.011 62.300 -0.256 0.000 0.868 128 V CB 0.364 32.017 31.823 -0.284 0.000 0.982 128 V HN 0.353 nan 8.190 nan 0.000 0.443 129 F N 2.047 121.957 119.950 -0.066 0.000 2.532 129 F HA 0.529 5.056 4.527 -0.000 0.000 0.321 129 F C 0.254 176.025 175.800 -0.049 0.000 1.089 129 F CA -0.726 57.241 58.000 -0.055 0.000 0.926 129 F CB 1.809 40.787 39.000 -0.036 0.000 1.168 129 F HN 0.457 nan 8.300 nan 0.000 0.459 130 E N 3.277 123.547 120.200 0.117 0.000 2.175 130 E HA 0.415 4.764 4.350 -0.000 0.000 0.278 130 E C -0.534 176.110 176.600 0.074 0.000 0.969 130 E CA -0.645 55.793 56.400 0.063 0.000 0.796 130 E CB 1.045 30.754 29.700 0.015 0.000 1.104 130 E HN 0.605 nan 8.360 nan 0.000 0.395 131 R N 1.958 122.489 120.500 0.053 0.000 2.541 131 R HA 0.329 4.668 4.340 -0.000 0.000 0.263 131 R C 1.040 177.355 176.300 0.025 0.000 1.112 131 R CA 0.219 56.340 56.100 0.035 0.000 1.170 131 R CB 0.666 30.978 30.300 0.021 0.000 1.167 131 R HN 0.697 nan 8.270 nan 0.000 0.582 132 A N 1.327 124.157 122.820 0.017 0.000 1.883 132 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 132 A C 1.405 178.996 177.584 0.012 0.000 1.186 132 A CA 2.243 54.288 52.037 0.013 0.000 0.624 132 A CB -0.812 18.193 19.000 0.008 0.000 0.822 132 A HN 0.895 nan 8.150 nan 0.000 0.444 133 D N -2.377 118.029 120.400 0.011 0.000 2.392 133 D HA 0.273 4.913 4.640 -0.000 0.000 0.228 133 D C 1.175 177.484 176.300 0.015 0.000 1.003 133 D CA 1.183 55.189 54.000 0.010 0.000 0.917 133 D CB -0.397 40.407 40.800 0.007 0.000 0.890 133 D HN 0.841 nan 8.370 nan 0.000 0.532 134 G N -0.999 107.812 108.800 0.018 0.000 2.213 134 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 134 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 134 G C 0.482 175.399 174.900 0.028 0.000 0.991 134 G CA 0.129 45.242 45.100 0.022 0.000 0.629 134 G HN 0.433 nan 8.290 nan 0.000 0.517 135 T N 2.034 116.604 114.554 0.027 0.000 2.867 135 T HA 0.482 4.832 4.350 -0.000 0.000 0.297 135 T C 0.706 175.430 174.700 0.039 0.000 0.989 135 T CA 0.754 62.873 62.100 0.031 0.000 1.159 135 T CB 1.276 70.156 68.868 0.020 0.000 0.928 135 T HN 1.366 nan 8.240 nan 0.000 0.538 136 A N 4.198 127.048 122.820 0.049 0.000 2.309 136 A HA 0.581 4.901 4.320 -0.000 0.000 0.290 136 A C -0.100 177.516 177.584 0.052 0.000 1.206 136 A CA -0.570 51.498 52.037 0.052 0.000 0.850 136 A CB 0.336 19.381 19.000 0.076 0.000 1.118 136 A HN 0.688 nan 8.150 nan 0.000 0.523 137 V N 1.875 121.830 119.914 0.068 0.000 2.604 137 V HA 0.708 4.828 4.120 -0.000 0.000 0.305 137 V C 0.377 176.539 176.094 0.114 0.000 1.043 137 V CA -0.370 61.976 62.300 0.076 0.000 0.888 137 V CB 1.644 33.513 31.823 0.077 0.000 0.995 137 V HN 1.143 nan 8.190 nan 0.000 0.429 138 A N 4.172 127.038 122.820 0.077 0.000 2.318 138 A HA 0.840 5.159 4.320 -0.000 0.000 0.324 138 A C -0.722 176.980 177.584 0.196 0.000 1.170 138 A CA -0.538 51.554 52.037 0.092 0.000 0.810 138 A CB 1.343 20.304 19.000 -0.064 0.000 1.198 138 A HN 0.733 nan 8.150 nan 0.000 0.484 139 V N 2.659 122.715 119.914 0.236 0.000 2.370 139 V HA 0.509 4.629 4.120 -0.000 0.000 0.279 139 V C 0.375 176.607 176.094 0.230 0.000 1.029 139 V CA -0.564 61.872 62.300 0.227 0.000 0.870 139 V CB 1.098 33.038 31.823 0.194 0.000 0.984 139 V HN 0.901 nan 8.190 nan 0.000 0.451 140 R N 3.692 124.365 120.500 0.288 0.000 2.310 140 R HA 0.681 5.020 4.340 -0.000 0.000 0.324 140 R C -1.467 175.051 176.300 0.362 0.000 0.955 140 R CA -0.358 55.893 56.100 0.252 0.000 0.830 140 R CB 1.609 32.026 30.300 0.195 0.000 1.154 140 R HN 0.610 nan 8.270 nan 0.000 0.458 141 V N 3.742 123.828 119.914 0.287 0.000 2.435 141 V HA 0.527 4.647 4.120 -0.000 0.000 0.290 141 V C 0.383 176.686 176.094 0.347 0.000 1.030 141 V CA -0.874 61.595 62.300 0.282 0.000 0.881 141 V CB 1.477 33.391 31.823 0.153 0.000 0.983 141 V HN 0.931 nan 8.190 nan 0.000 0.445 142 A N 3.091 126.094 122.820 0.305 0.000 2.322 142 A HA 0.639 4.959 4.320 -0.000 0.000 0.269 142 A C 1.305 178.955 177.584 0.111 0.000 1.094 142 A CA 0.337 52.505 52.037 0.218 0.000 0.807 142 A CB 0.108 19.084 19.000 -0.040 0.000 1.047 142 A HN 2.238 nan 8.150 nan 0.000 0.487 143 G N 0.062 108.920 108.800 0.098 0.000 2.221 143 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.265 143 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.265 143 G C 0.408 175.341 174.900 0.055 0.000 1.041 143 G CA 0.483 45.617 45.100 0.056 0.000 0.807 143 G HN 0.805 nan 8.290 nan 0.000 0.502 144 L N 0.253 121.520 121.223 0.073 0.000 2.610 144 L HA 0.127 4.467 4.340 -0.000 0.000 0.232 144 L C 1.673 178.568 176.870 0.042 0.000 1.149 144 L CA 1.155 56.029 54.840 0.056 0.000 0.872 144 L CB -0.052 42.045 42.059 0.063 0.000 0.992 144 L HN 0.501 nan 8.230 nan 0.000 0.447 145 D N -0.910 119.515 120.400 0.042 0.000 2.501 145 D HA 0.009 4.649 4.640 -0.000 0.000 0.226 145 D C 0.324 176.638 176.300 0.024 0.000 1.198 145 D CA -0.295 53.724 54.000 0.032 0.000 0.830 145 D CB 0.383 41.203 40.800 0.034 0.000 1.014 145 D HN 0.036 nan 8.370 nan 0.000 0.496 146 R N 1.970 122.484 120.500 0.023 0.000 2.396 146 R HA 0.274 4.613 4.340 -0.000 0.000 0.292 146 R C -1.847 174.464 176.300 0.019 0.000 1.240 146 R CA -1.379 54.731 56.100 0.017 0.000 1.270 146 R CB 1.039 31.346 30.300 0.012 0.000 1.108 146 R HN 0.115 nan 8.270 nan 0.000 0.573 147 P HA 0.036 nan 4.420 nan 0.000 0.245 147 P C 0.741 178.055 177.300 0.023 0.000 1.206 147 P CA 0.415 63.526 63.100 0.019 0.000 0.781 147 P CB 0.502 32.211 31.700 0.015 0.000 0.994 148 G N 0.456 109.269 108.800 0.021 0.000 3.496 148 G HA2 0.016 3.975 3.960 -0.000 0.000 0.273 148 G HA3 0.016 3.975 3.960 -0.000 0.000 0.273 148 G C 1.069 175.995 174.900 0.043 0.000 1.279 148 G CA -0.222 44.894 45.100 0.027 0.000 1.041 148 G HN 0.077 nan 8.290 nan 0.000 0.539 149 M N 0.054 119.688 119.600 0.058 0.000 2.065 149 M HA -0.025 4.455 4.480 -0.000 0.000 0.259 149 M C 2.264 178.661 176.300 0.161 0.000 1.069 149 M CA 1.536 56.895 55.300 0.099 0.000 1.110 149 M CB -0.446 32.219 32.600 0.108 0.000 1.328 149 M HN 0.312 nan 8.290 nan 0.000 0.405 150 L N -0.122 121.180 121.223 0.131 0.000 2.046 150 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 150 L C 2.488 179.455 176.870 0.162 0.000 1.077 150 L CA 1.821 56.745 54.840 0.140 0.000 0.747 150 L CB -0.787 41.309 42.059 0.061 0.000 0.896 150 L HN 0.444 nan 8.230 nan 0.000 0.432 151 E N -0.133 120.135 120.200 0.112 0.000 2.150 151 E HA -0.270 4.079 4.350 -0.000 0.000 0.193 151 E C 2.212 178.913 176.600 0.168 0.000 0.985 151 E CA 0.878 57.360 56.400 0.137 0.000 0.814 151 E CB 0.063 29.809 29.700 0.076 0.000 0.752 151 E HN 0.432 nan 8.360 nan 0.000 0.466 152 Q N -0.702 119.159 119.800 0.102 0.000 2.084 152 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 152 Q C 1.696 177.718 176.000 0.038 0.000 0.978 152 Q CA 1.430 57.247 55.803 0.024 0.000 0.844 152 Q CB -0.143 28.562 28.738 -0.055 0.000 0.898 152 Q HN 0.390 nan 8.270 nan 0.000 0.426 153 Y N -0.402 119.937 120.300 0.064 0.000 2.181 153 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 153 Y C 1.936 177.885 175.900 0.081 0.000 1.146 153 Y CA 1.576 59.717 58.100 0.068 0.000 1.164 153 Y CB -0.389 38.115 38.460 0.073 0.000 0.982 153 Y HN 0.257 nan 8.280 nan 0.000 0.515 154 F N 1.016 121.045 119.950 0.132 0.000 2.102 154 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 154 F C 1.976 177.768 175.800 -0.014 0.000 1.105 154 F CA 1.948 59.955 58.000 0.012 0.000 1.239 154 F CB -0.415 38.559 39.000 -0.043 0.000 0.991 154 F HN -0.015 nan 8.300 nan 0.000 0.474 155 D N -0.174 120.217 120.400 -0.015 0.000 2.224 155 D HA -0.136 4.504 4.640 -0.000 0.000 0.205 155 D C 2.304 178.557 176.300 -0.078 0.000 0.965 155 D CA 1.189 55.124 54.000 -0.108 0.000 0.852 155 D CB -0.219 40.576 40.800 -0.008 0.000 0.947 155 D HN 0.363 nan 8.370 nan 0.000 0.494 156 M N 0.254 119.849 119.600 -0.008 0.000 2.098 156 M HA -0.016 4.464 4.480 -0.000 0.000 0.262 156 M C 2.179 178.609 176.300 0.218 0.000 1.072 156 M CA 1.024 56.405 55.300 0.135 0.000 1.133 156 M CB -0.234 32.428 32.600 0.103 0.000 1.344 156 M HN 0.001 nan 8.290 nan 0.000 0.414 157 I N -3.351 117.291 120.570 0.120 0.000 3.334 157 I HA -0.047 4.122 4.170 -0.000 0.000 0.282 157 I C 1.369 177.459 176.117 -0.045 0.000 1.313 157 I CA 0.927 62.276 61.300 0.082 0.000 1.396 157 I CB -0.498 37.553 38.000 0.085 0.000 1.054 157 I HN 0.140 nan 8.210 nan 0.000 0.495 158 T N 0.719 115.177 114.554 -0.160 0.000 3.084 158 T HA 0.479 4.829 4.350 -0.000 0.000 0.270 158 T C 0.837 175.486 174.700 -0.084 0.000 1.008 158 T CA 0.052 62.007 62.100 -0.242 0.000 0.900 158 T CB -0.144 68.302 68.868 -0.704 0.000 1.084 158 T HN 0.468 nan 8.240 nan 0.000 0.538 159 A N 0.996 123.827 122.820 0.017 0.000 2.531 159 A HA 0.215 4.535 4.320 -0.000 0.000 0.236 159 A C 0.946 178.585 177.584 0.091 0.000 1.062 159 A CA 0.061 52.143 52.037 0.076 0.000 0.760 159 A CB 0.165 19.276 19.000 0.185 0.000 0.995 159 A HN 0.342 nan 8.150 nan 0.000 0.501 160 D N 0.005 120.451 120.400 0.077 0.000 2.348 160 D HA 0.090 4.730 4.640 -0.000 0.000 0.211 160 D C 0.511 176.870 176.300 0.099 0.000 0.998 160 D CA 1.428 55.477 54.000 0.081 0.000 0.873 160 D CB 0.158 40.997 40.800 0.064 0.000 0.925 160 D HN 0.659 nan 8.370 nan 0.000 0.524 161 S N -1.339 114.433 115.700 0.120 0.000 2.615 161 S HA 0.200 4.670 4.470 -0.000 0.000 0.269 161 S C 0.246 174.960 174.600 0.190 0.000 1.161 161 S CA -0.816 57.472 58.200 0.148 0.000 0.817 161 S CB 0.774 64.035 63.200 0.102 0.000 1.131 161 S HN -0.122 nan 8.310 nan 0.000 0.467 162 F N 1.677 121.654 119.950 0.044 0.000 2.216 162 F HA -0.000 4.526 4.527 -0.000 0.000 0.300 162 F C 1.678 177.460 175.800 -0.030 0.000 1.085 162 F CA 1.859 59.810 58.000 -0.081 0.000 1.326 162 F CB -0.497 38.437 39.000 -0.111 0.000 1.027 162 F HN 0.691 nan 8.300 nan 0.000 0.497 163 D N 0.267 120.610 120.400 -0.096 0.000 2.097 163 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 163 D C 1.833 178.027 176.300 -0.178 0.000 0.989 163 D CA 1.604 55.496 54.000 -0.181 0.000 0.827 163 D CB -0.387 40.382 40.800 -0.051 0.000 0.966 163 D HN 0.347 nan 8.370 nan 0.000 0.456 164 D N -0.233 120.120 120.400 -0.077 0.000 2.144 164 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 164 D C 1.969 178.213 176.300 -0.095 0.000 0.978 164 D CA 0.520 54.483 54.000 -0.063 0.000 0.833 164 D CB -0.355 40.443 40.800 -0.002 0.000 0.961 164 D HN 0.296 nan 8.370 nan 0.000 0.470 165 Y N 1.876 122.048 120.300 -0.213 0.000 2.128 165 Y HA -0.210 4.339 4.550 -0.000 0.000 0.284 165 Y C 2.298 177.991 175.900 -0.346 0.000 1.154 165 Y CA 1.959 59.914 58.100 -0.242 0.000 1.149 165 Y CB -0.230 38.058 38.460 -0.287 0.000 0.976 165 Y HN -0.088 nan 8.280 nan 0.000 0.505 166 E N -0.096 119.749 120.200 -0.592 0.000 2.110 166 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 166 E C 2.271 178.613 176.600 -0.431 0.000 0.988 166 E CA 1.140 57.155 56.400 -0.641 0.000 0.804 166 E CB -0.352 28.930 29.700 -0.697 0.000 0.745 166 E HN 0.583 nan 8.360 nan 0.000 0.458 167 A N 0.844 123.475 122.820 -0.315 0.000 1.933 167 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 167 A C 2.336 179.791 177.584 -0.215 0.000 1.175 167 A CA 1.695 53.604 52.037 -0.213 0.000 0.628 167 A CB -0.705 18.207 19.000 -0.146 0.000 0.814 167 A HN 0.393 nan 8.150 nan 0.000 0.444 168 A N -0.460 122.205 122.820 -0.257 0.000 1.873 168 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 168 A C 2.097 179.503 177.584 -0.297 0.000 1.186 168 A CA 1.641 53.538 52.037 -0.234 0.000 0.616 168 A CB -0.712 18.155 19.000 -0.222 0.000 0.823 168 A HN 0.656 nan 8.150 nan 0.000 0.442 169 L N 0.092 121.036 121.223 -0.466 0.000 2.081 169 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 169 L C 2.563 179.262 176.870 -0.284 0.000 1.080 169 L CA 2.211 56.779 54.840 -0.453 0.000 0.754 169 L CB -0.726 40.954 42.059 -0.631 0.000 0.893 169 L HN 0.360 nan 8.230 nan 0.000 0.433 170 A N -0.899 121.771 122.820 -0.249 0.000 2.178 170 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 170 A C 2.291 179.803 177.584 -0.119 0.000 1.157 170 A CA 1.262 53.201 52.037 -0.163 0.000 0.689 170 A CB -0.624 18.288 19.000 -0.147 0.000 0.787 170 A HN 0.544 nan 8.150 nan 0.000 0.465 171 R N -1.681 118.744 120.500 -0.124 0.000 2.189 171 R HA 0.013 4.353 4.340 -0.000 0.000 0.223 171 R C 0.054 176.311 176.300 -0.071 0.000 1.092 171 R CA 0.733 56.782 56.100 -0.084 0.000 0.989 171 R CB -0.218 30.036 30.300 -0.077 0.000 0.876 171 R HN 0.404 nan 8.270 nan 0.000 0.457 172 M N 0.660 120.205 119.600 -0.091 0.000 2.353 172 M HA -0.207 4.272 4.480 -0.000 0.000 0.202 172 M C -0.160 176.106 176.300 -0.056 0.000 0.434 172 M CA 0.807 56.062 55.300 -0.075 0.000 0.477 172 M CB -1.622 30.947 32.600 -0.051 0.000 1.592 172 M HN 0.230 nan 8.290 nan 0.000 0.895 173 Q N -0.790 118.975 119.800 -0.059 0.000 2.352 173 Q HA 0.296 4.636 4.340 -0.000 0.000 0.212 173 Q C 0.678 176.671 176.000 -0.012 0.000 0.888 173 Q CA 0.454 56.241 55.803 -0.027 0.000 0.934 173 Q CB 1.041 29.770 28.738 -0.015 0.000 1.093 173 Q HN 0.536 nan 8.270 nan 0.000 0.523 174 V N 4.910 124.799 119.914 -0.042 0.000 2.348 174 V HA 0.114 4.234 4.120 -0.000 0.000 0.270 174 V C -1.367 174.702 176.094 -0.041 0.000 1.037 174 V CA -1.036 61.263 62.300 -0.002 0.000 0.872 174 V CB 1.392 33.176 31.823 -0.064 0.000 1.002 174 V HN 0.063 nan 8.190 nan 0.000 0.464 175 P HA -0.027 nan 4.420 nan 0.000 0.230 175 P C 0.566 177.745 177.300 -0.203 0.000 1.158 175 P CA 1.056 64.091 63.100 -0.108 0.000 0.769 175 P CB 0.723 32.373 31.700 -0.083 0.000 0.807 176 T N -2.518 111.862 114.554 -0.291 0.000 2.649 176 T HA 0.532 4.882 4.350 -0.000 0.000 0.305 176 T C -1.879 172.592 174.700 -0.382 0.000 1.409 176 T CA -0.394 61.434 62.100 -0.454 0.000 1.021 176 T CB 0.117 68.600 68.868 -0.642 0.000 1.726 176 T HN -0.186 nan 8.240 nan 0.000 0.475 177 F N -0.084 119.782 119.950 -0.140 0.000 2.182 177 F HA -0.038 4.489 4.527 -0.000 0.000 0.325 177 F C -0.086 175.614 175.800 -0.165 0.000 1.295 177 F CA -0.607 57.333 58.000 -0.099 0.000 0.940 177 F CB -0.988 38.012 39.000 0.001 0.000 4.103 177 F HN 0.712 nan 8.300 nan 0.000 0.179 178 N N 2.142 120.931 118.700 0.148 0.000 2.499 178 N HA 0.762 5.501 4.740 -0.000 0.000 0.281 178 N C -0.931 174.666 175.510 0.145 0.000 1.098 178 N CA -0.605 52.510 53.050 0.110 0.000 0.979 178 N CB 0.893 39.554 38.487 0.290 0.000 1.121 178 N HN 0.390 nan 8.380 nan 0.000 0.466 179 I N 2.159 122.781 120.570 0.087 0.000 2.466 179 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 179 I C -0.807 175.437 176.117 0.213 0.000 1.026 179 I CA -0.916 60.465 61.300 0.135 0.000 1.078 179 I CB 1.892 39.958 38.000 0.109 0.000 1.249 179 I HN 0.120 nan 8.210 nan 0.000 0.429 180 V N 6.387 126.454 119.914 0.255 0.000 2.459 180 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 180 V C -1.020 175.228 176.094 0.257 0.000 1.029 180 V CA -0.680 61.800 62.300 0.300 0.000 0.874 180 V CB 1.834 33.844 31.823 0.311 0.000 0.985 180 V HN 0.537 nan 8.190 nan 0.000 0.438 181 Y N 3.725 124.070 120.300 0.074 0.000 2.485 181 Y HA 0.848 5.397 4.550 -0.000 0.000 0.345 181 Y C -0.229 175.603 175.900 -0.114 0.000 0.998 181 Y CA -0.695 57.351 58.100 -0.089 0.000 1.059 181 Y CB 1.991 40.284 38.460 -0.278 0.000 1.234 181 Y HN 0.779 nan 8.280 nan 0.000 0.461 182 A N 4.216 126.555 122.820 -0.801 0.000 2.566 182 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 182 A C -1.978 174.841 177.584 -1.274 0.000 1.059 182 A CA -0.469 51.153 52.037 -0.692 0.000 0.691 182 A CB 1.223 20.033 19.000 -0.318 0.000 1.282 182 A HN 0.810 nan 8.150 nan 0.000 0.401 183 D N -0.265 119.564 120.400 -0.951 0.000 2.592 183 D HA 0.424 5.064 4.640 -0.000 0.000 0.263 183 D C 0.719 176.652 176.300 -0.612 0.000 1.132 183 D CA -0.660 52.776 54.000 -0.942 0.000 0.996 183 D CB 0.642 41.196 40.800 -0.411 0.000 1.442 183 D HN 0.483 nan 8.370 nan 0.000 0.486 184 R N -0.297 119.995 120.500 -0.346 0.000 2.280 184 R HA 0.014 4.354 4.340 -0.000 0.000 0.207 184 R C 0.582 176.857 176.300 -0.042 0.000 1.043 184 R CA 0.725 56.791 56.100 -0.056 0.000 1.006 184 R CB -0.396 29.953 30.300 0.081 0.000 0.885 184 R HN 0.396 nan 8.270 nan 0.000 0.467 185 E N 0.807 120.970 120.200 -0.062 0.000 2.274 185 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 185 E C 1.225 177.798 176.600 -0.045 0.000 0.996 185 E CA 0.996 57.380 56.400 -0.027 0.000 0.840 185 E CB 0.127 29.827 29.700 -0.000 0.000 0.772 185 E HN 0.654 nan 8.360 nan 0.000 0.491 186 G N 1.144 109.894 108.800 -0.083 0.000 2.175 186 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.182 186 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.182 186 G C 0.260 175.097 174.900 -0.106 0.000 1.003 186 G CA 0.146 45.197 45.100 -0.082 0.000 0.666 186 G HN 0.204 nan 8.290 nan 0.000 0.506 187 T N 1.697 116.171 114.554 -0.133 0.000 2.856 187 T HA 0.607 4.957 4.350 -0.000 0.000 0.292 187 T C 0.506 175.112 174.700 -0.156 0.000 0.980 187 T CA 0.512 62.488 62.100 -0.207 0.000 1.091 187 T CB 1.232 69.880 68.868 -0.367 0.000 0.936 187 T HN 0.981 nan 8.240 nan 0.000 0.503 188 I N 0.930 121.410 120.570 -0.150 0.000 2.582 188 I HA 0.822 4.992 4.170 -0.000 0.000 0.292 188 I C -0.872 175.234 176.117 -0.017 0.000 1.066 188 I CA -1.008 60.276 61.300 -0.026 0.000 1.053 188 I CB 2.379 40.385 38.000 0.010 0.000 1.241 188 I HN 0.497 nan 8.210 nan 0.000 0.421 189 N N 3.442 122.221 118.700 0.131 0.000 2.331 189 N HA 0.519 5.259 4.740 -0.000 0.000 0.280 189 N C -2.101 173.592 175.510 0.306 0.000 1.155 189 N CA -0.530 52.633 53.050 0.189 0.000 0.822 189 N CB 2.136 40.768 38.487 0.241 0.000 1.619 189 N HN 0.714 nan 8.380 nan 0.000 0.476 190 Y N 1.543 121.955 120.300 0.187 0.000 2.391 190 Y HA 0.708 5.258 4.550 -0.000 0.000 0.341 190 Y C -1.554 174.464 175.900 0.197 0.000 0.965 190 Y CA -0.571 57.644 58.100 0.192 0.000 1.067 190 Y CB 1.711 40.272 38.460 0.168 0.000 1.199 190 Y HN 0.489 nan 8.280 nan 0.000 0.450 191 S N 6.671 121.940 115.700 -0.718 0.000 2.594 191 S HA 0.327 4.797 4.470 -0.000 0.000 0.296 191 S C -1.508 172.702 174.600 -0.650 0.000 1.124 191 S CA -0.601 57.247 58.200 -0.586 0.000 1.011 191 S CB 0.791 63.884 63.200 -0.178 0.000 1.016 191 S HN 0.617 nan 8.310 nan 0.000 0.485 192 F N 4.407 123.972 119.950 -0.641 0.000 2.515 192 F HA 0.379 4.906 4.527 -0.000 0.000 0.353 192 F C 0.305 175.969 175.800 -0.227 0.000 1.213 192 F CA -0.549 57.242 58.000 -0.349 0.000 1.194 192 F CB -0.348 38.470 39.000 -0.303 0.000 1.488 192 F HN 0.578 nan 8.300 nan 0.000 0.619 193 N N 3.159 121.661 118.700 -0.330 0.000 2.493 193 N HA 0.768 5.507 4.740 -0.000 0.000 0.275 193 N C -0.195 175.132 175.510 -0.304 0.000 1.186 193 N CA 0.525 53.430 53.050 -0.241 0.000 0.978 193 N CB 1.384 39.778 38.487 -0.155 0.000 1.184 193 N HN 0.822 nan 8.380 nan 0.000 0.487 194 G N -0.669 108.014 108.800 -0.195 0.000 2.361 194 G HA2 0.117 4.077 3.960 -0.000 0.000 0.305 194 G HA3 0.117 4.077 3.960 -0.000 0.000 0.305 194 G C -1.898 172.936 174.900 -0.109 0.000 1.367 194 G CA -0.743 44.247 45.100 -0.184 0.000 0.951 194 G HN 0.497 nan 8.290 nan 0.000 0.615 195 V N 1.163 121.017 119.914 -0.101 0.000 2.294 195 V HA 0.659 4.779 4.120 -0.000 0.000 0.272 195 V C 0.713 176.751 176.094 -0.094 0.000 1.027 195 V CA 0.156 62.413 62.300 -0.072 0.000 0.823 195 V CB 0.690 32.475 31.823 -0.063 0.000 1.030 195 V HN 1.610 nan 8.190 nan 0.000 0.457 196 A N 8.562 131.357 122.820 -0.043 0.000 2.271 196 A HA 0.847 5.167 4.320 -0.000 0.000 0.317 196 A C -2.528 174.987 177.584 -0.115 0.000 1.245 196 A CA -1.792 50.216 52.037 -0.048 0.000 0.857 196 A CB 0.937 20.008 19.000 0.119 0.000 1.175 196 A HN 0.542 nan 8.150 nan 0.000 0.512 197 P HA 0.153 nan 4.420 nan 0.000 0.275 197 P C -0.790 176.209 177.300 -0.502 0.000 1.227 197 P CA -0.103 62.597 63.100 -0.665 0.000 0.781 197 P CB 0.765 31.447 31.700 -1.697 0.000 0.906 198 K N 3.383 123.541 120.400 -0.403 0.000 2.339 198 K HA 0.252 4.572 4.320 -0.000 0.000 0.286 198 K C 0.505 176.936 176.600 -0.281 0.000 1.050 198 K CA -0.069 56.026 56.287 -0.321 0.000 0.956 198 K CB 0.705 33.010 32.500 -0.326 0.000 0.990 198 K HN 0.388 nan 8.250 nan 0.000 0.475 199 R N 0.899 121.160 120.500 -0.398 0.000 2.740 199 R HA 0.290 4.630 4.340 -0.000 0.000 0.282 199 R C 0.464 176.801 176.300 0.062 0.000 0.969 199 R CA -0.383 55.491 56.100 -0.376 0.000 0.918 199 R CB 1.628 31.218 30.300 -1.184 0.000 1.175 199 R HN 0.732 nan 8.270 nan 0.000 0.464 200 A N 2.044 124.992 122.820 0.213 0.000 2.016 200 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 200 A C 0.213 177.967 177.584 0.283 0.000 1.162 200 A CA 1.060 53.236 52.037 0.232 0.000 0.662 200 A CB -0.161 18.952 19.000 0.189 0.000 0.812 200 A HN 0.790 nan 8.150 nan 0.000 0.450 201 E N -3.539 116.905 120.200 0.407 0.000 2.454 201 E HA 0.517 4.867 4.350 -0.000 0.000 0.279 201 E C -0.173 176.753 176.600 0.544 0.000 1.029 201 E CA -0.922 55.696 56.400 0.364 0.000 0.831 201 E CB 0.698 30.525 29.700 0.212 0.000 1.405 201 E HN 1.291 nan 8.360 nan 0.000 0.463 202 G N 1.276 110.252 108.800 0.293 0.000 2.785 202 G HA2 0.011 3.970 3.960 -0.000 0.000 0.686 202 G HA3 0.011 3.970 3.960 -0.000 0.000 0.686 202 G C -0.878 174.389 174.900 0.611 0.000 1.155 202 G CA -0.200 45.058 45.100 0.264 0.000 0.760 202 G HN 0.933 nan 8.290 nan 0.000 0.624 203 D N 0.313 120.993 120.400 0.467 0.000 2.506 203 D HA 0.560 5.200 4.640 -0.000 0.000 0.272 203 D C 1.864 178.518 176.300 0.591 0.000 1.214 203 D CA -0.472 53.810 54.000 0.470 0.000 1.067 203 D CB 0.775 41.748 40.800 0.288 0.000 1.117 203 D HN 0.551 nan 8.370 nan 0.000 0.578 204 I N -0.385 120.458 120.570 0.455 0.000 2.264 204 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 204 I C 2.047 178.361 176.117 0.328 0.000 1.111 204 I CA 1.511 63.058 61.300 0.412 0.000 1.382 204 I CB -0.186 37.997 38.000 0.305 0.000 1.060 204 I HN 0.549 nan 8.210 nan 0.000 0.418 205 A N 0.350 123.331 122.820 0.268 0.000 1.933 205 A HA -0.269 4.050 4.320 -0.000 0.000 0.218 205 A C 2.147 179.822 177.584 0.151 0.000 1.175 205 A CA 1.600 53.747 52.037 0.183 0.000 0.628 205 A CB -1.044 18.051 19.000 0.158 0.000 0.814 205 A HN 0.587 nan 8.150 nan 0.000 0.444 206 F N -0.848 119.124 119.950 0.037 0.000 2.102 206 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 206 F C 1.732 177.376 175.800 -0.260 0.000 1.105 206 F CA 1.452 59.362 58.000 -0.149 0.000 1.239 206 F CB -0.472 38.392 39.000 -0.226 0.000 0.991 206 F HN 0.357 nan 8.300 nan 0.000 0.474 207 W N 0.737 122.016 121.300 -0.036 0.000 2.937 207 W HA 0.044 4.704 4.660 -0.000 0.000 0.245 207 W C 2.093 178.519 176.519 -0.154 0.000 1.306 207 W CA 0.477 57.725 57.345 -0.162 0.000 1.470 207 W CB -0.376 29.095 29.460 0.018 0.000 1.132 207 W HN 0.136 nan 8.180 nan 0.000 0.675 208 Q N -0.631 119.197 119.800 0.047 0.000 2.376 208 Q HA 0.133 4.473 4.340 -0.000 0.000 0.206 208 Q C 1.609 177.565 176.000 -0.073 0.000 0.921 208 Q CA 0.496 56.312 55.803 0.021 0.000 0.911 208 Q CB 0.150 28.925 28.738 0.062 0.000 1.032 208 Q HN 0.200 nan 8.270 nan 0.000 0.510 209 G N 0.246 108.945 108.800 -0.168 0.000 2.543 209 G HA2 0.442 4.402 3.960 -0.000 0.000 0.267 209 G HA3 0.442 4.402 3.960 -0.000 0.000 0.267 209 G C -0.618 174.111 174.900 -0.284 0.000 1.406 209 G CA -0.715 44.269 45.100 -0.194 0.000 1.048 209 G HN 0.058 nan 8.290 nan 0.000 0.548 210 L N 0.670 121.736 121.223 -0.263 0.000 2.313 210 L HA 0.273 4.613 4.340 -0.000 0.000 0.282 210 L C -0.130 176.481 176.870 -0.432 0.000 1.092 210 L CA -0.496 54.178 54.840 -0.275 0.000 0.831 210 L CB 1.214 43.178 42.059 -0.159 0.000 1.159 210 L HN 0.003 nan 8.230 nan 0.000 0.442 211 V N 5.482 125.064 119.914 -0.553 0.000 2.567 211 V HA 0.255 4.375 4.120 -0.000 0.000 0.289 211 V C -2.021 173.896 176.094 -0.295 0.000 1.049 211 V CA -1.851 60.010 62.300 -0.732 0.000 0.969 211 V CB 1.435 32.668 31.823 -0.983 0.000 0.995 211 V HN 0.617 nan 8.190 nan 0.000 0.471 212 P HA 0.084 nan 4.420 nan 0.000 0.263 212 P C 0.623 178.103 177.300 0.300 0.000 1.195 212 P CA 0.398 63.531 63.100 0.054 0.000 0.762 212 P CB 0.472 32.239 31.700 0.112 0.000 0.799 213 G N 2.138 111.078 108.800 0.233 0.000 3.523 213 G HA2 0.029 3.988 3.960 -0.000 0.000 0.270 213 G HA3 0.029 3.988 3.960 -0.000 0.000 0.270 213 G C 0.081 175.226 174.900 0.408 0.000 1.134 213 G CA -0.209 45.007 45.100 0.193 0.000 0.825 213 G HN 0.494 nan 8.290 nan 0.000 0.534 214 D N -1.007 119.619 120.400 0.376 0.000 2.538 214 D HA 0.217 4.857 4.640 -0.000 0.000 0.231 214 D C 0.221 176.614 176.300 0.156 0.000 1.229 214 D CA -0.528 53.675 54.000 0.340 0.000 0.828 214 D CB 0.478 41.408 40.800 0.216 0.000 1.035 214 D HN -0.018 nan 8.370 nan 0.000 0.495 215 S N -0.361 115.437 115.700 0.163 0.000 2.614 215 S HA 0.337 4.807 4.470 -0.000 0.000 0.275 215 S C 0.762 175.269 174.600 -0.155 0.000 1.161 215 S CA -0.199 57.937 58.200 -0.106 0.000 0.969 215 S CB 1.325 64.550 63.200 0.041 0.000 1.059 215 S HN 0.100 nan 8.310 nan 0.000 0.482 216 S N 4.255 119.662 115.700 -0.488 0.000 2.507 216 S HA -0.085 4.384 4.470 -0.000 0.000 0.235 216 S C 1.698 176.263 174.600 -0.058 0.000 0.988 216 S CA 0.600 58.680 58.200 -0.201 0.000 0.944 216 S CB -0.346 62.716 63.200 -0.231 0.000 0.762 216 S HN 0.766 nan 8.310 nan 0.000 0.526 217 R N 0.078 120.470 120.500 -0.180 0.000 2.152 217 R HA -0.079 4.260 4.340 -0.000 0.000 0.232 217 R C 0.746 176.958 176.300 -0.148 0.000 1.117 217 R CA 1.318 57.261 56.100 -0.262 0.000 0.981 217 R CB -0.226 29.750 30.300 -0.541 0.000 0.870 217 R HN 0.578 nan 8.270 nan 0.000 0.451 218 Y N -0.388 120.116 120.300 0.339 0.000 2.457 218 Y HA 0.173 4.723 4.550 -0.000 0.000 0.263 218 Y C 0.038 176.324 175.900 0.644 0.000 1.164 218 Y CA -0.518 57.933 58.100 0.585 0.000 1.274 218 Y CB 0.297 39.089 38.460 0.552 0.000 1.097 218 Y HN -0.029 nan 8.280 nan 0.000 0.523 219 L N 3.300 124.779 121.223 0.427 0.000 2.334 219 L HA 0.211 4.551 4.340 -0.000 0.000 0.286 219 L C 0.121 177.064 176.870 0.122 0.000 1.108 219 L CA -0.848 54.086 54.840 0.157 0.000 0.875 219 L CB -0.318 41.757 42.059 0.027 0.000 1.246 219 L HN 0.167 nan 8.230 nan 0.000 0.439 220 W N 3.164 124.623 121.300 0.265 0.000 2.161 220 W HA 0.471 5.131 4.660 -0.000 0.000 0.344 220 W C 0.088 176.650 176.519 0.072 0.000 1.262 220 W CA -0.132 57.277 57.345 0.106 0.000 1.270 220 W CB 0.067 29.519 29.460 -0.013 0.000 1.126 220 W HN 0.607 nan 8.180 nan 0.000 0.598 221 T N -3.431 111.358 114.554 0.392 0.000 3.131 221 T HA 0.095 4.444 4.350 -0.000 0.000 0.283 221 T C -0.085 174.756 174.700 0.234 0.000 0.906 221 T CA -0.191 62.068 62.100 0.265 0.000 0.882 221 T CB 0.429 69.362 68.868 0.109 0.000 1.208 221 T HN 0.349 nan 8.240 nan 0.000 0.561 222 E N 2.517 122.830 120.200 0.190 0.000 2.235 222 E HA 0.633 4.983 4.350 -0.000 0.000 0.265 222 E C -0.479 176.096 176.600 -0.042 0.000 0.940 222 E CA -0.336 56.095 56.400 0.052 0.000 0.819 222 E CB 2.086 31.781 29.700 -0.009 0.000 1.206 222 E HN 0.512 nan 8.360 nan 0.000 0.409 223 T N -1.925 112.576 114.554 -0.087 0.000 2.906 223 T HA 0.395 4.745 4.350 -0.000 0.000 0.295 223 T C -0.146 174.469 174.700 -0.141 0.000 1.061 223 T CA -0.874 61.144 62.100 -0.138 0.000 1.000 223 T CB 1.153 69.981 68.868 -0.067 0.000 1.103 223 T HN 0.267 nan 8.240 nan 0.000 0.486 224 H N 2.341 121.400 119.070 -0.017 0.000 2.652 224 H HA 0.365 4.920 4.556 -0.000 0.000 0.349 224 H C -1.956 173.371 175.328 -0.002 0.000 1.099 224 H CA -0.898 55.156 56.048 0.010 0.000 1.417 224 H CB 1.127 30.910 29.762 0.035 0.000 1.457 224 H HN 0.537 nan 8.280 nan 0.000 0.568 225 P HA -0.013 nan 4.420 nan 0.000 0.280 225 P C 1.030 178.362 177.300 0.053 0.000 1.272 225 P CA -0.625 62.510 63.100 0.058 0.000 0.819 225 P CB 1.510 33.235 31.700 0.041 0.000 1.122 226 L N 1.115 122.341 121.223 0.006 0.000 2.081 226 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 226 L C 1.717 178.594 176.870 0.013 0.000 1.080 226 L CA 2.034 56.866 54.840 -0.013 0.000 0.754 226 L CB -1.323 40.701 42.059 -0.058 0.000 0.893 226 L HN 0.285 nan 8.230 nan 0.000 0.433 227 D N -0.436 119.978 120.400 0.024 0.000 2.221 227 D HA -0.187 4.453 4.640 -0.000 0.000 0.204 227 D C 1.297 177.638 176.300 0.067 0.000 0.982 227 D CA 1.454 55.478 54.000 0.040 0.000 0.857 227 D CB -0.108 40.712 40.800 0.033 0.000 0.934 227 D HN 0.503 nan 8.370 nan 0.000 0.475 228 D N -0.159 120.288 120.400 0.078 0.000 2.333 228 D HA 0.008 4.648 4.640 -0.000 0.000 0.208 228 D C 0.693 177.048 176.300 0.092 0.000 0.984 228 D CA 0.101 54.149 54.000 0.080 0.000 0.873 228 D CB 0.388 41.234 40.800 0.077 0.000 0.935 228 D HN 0.096 nan 8.370 nan 0.000 0.521 229 L N 1.294 122.543 121.223 0.044 0.000 2.375 229 L HA 0.333 4.673 4.340 -0.000 0.000 0.271 229 L C -2.091 174.711 176.870 -0.113 0.000 1.107 229 L CA -2.270 52.548 54.840 -0.036 0.000 0.806 229 L CB -0.126 41.948 42.059 0.025 0.000 1.146 229 L HN -0.300 nan 8.230 nan 0.000 0.447 230 P HA 0.186 nan 4.420 nan 0.000 0.263 230 P C -0.629 176.587 177.300 -0.140 0.000 1.195 230 P CA 0.297 62.985 63.100 -0.686 0.000 0.762 230 P CB 0.496 31.520 31.700 -1.126 0.000 0.799 231 R N 1.704 122.262 120.500 0.098 0.000 2.707 231 R HA 0.698 5.037 4.340 -0.000 0.000 0.272 231 R C -1.611 174.901 176.300 0.354 0.000 1.011 231 R CA -1.018 55.178 56.100 0.159 0.000 0.893 231 R CB 2.116 32.472 30.300 0.092 0.000 1.233 231 R HN 0.128 nan 8.270 nan 0.000 0.464 232 V N 1.163 121.277 119.914 0.333 0.000 2.668 232 V HA 0.453 4.573 4.120 -0.000 0.000 0.304 232 V C -0.674 175.540 176.094 0.201 0.000 1.071 232 V CA -0.660 61.813 62.300 0.289 0.000 0.894 232 V CB 2.339 34.338 31.823 0.293 0.000 1.008 232 V HN 0.806 nan 8.190 nan 0.000 0.425 233 T N 2.954 117.587 114.554 0.132 0.000 2.848 233 T HA 0.391 4.741 4.350 -0.000 0.000 0.285 233 T C 0.132 174.832 174.700 0.000 0.000 0.995 233 T CA -0.590 61.542 62.100 0.053 0.000 0.970 233 T CB 0.907 69.818 68.868 0.072 0.000 0.976 233 T HN 0.809 nan 8.240 nan 0.000 0.441 234 N N 2.303 120.974 118.700 -0.049 0.000 2.689 234 N HA -0.137 4.603 4.740 -0.000 0.000 0.263 234 N C -2.372 173.118 175.510 -0.035 0.000 0.987 234 N CA -0.233 52.786 53.050 -0.051 0.000 0.782 234 N CB -0.560 37.887 38.487 -0.067 0.000 0.903 234 N HN 0.455 nan 8.380 nan 0.000 0.547 235 P HA 0.046 nan 4.420 nan 0.000 0.272 235 P C -1.644 175.614 177.300 -0.069 0.000 1.230 235 P CA -1.029 62.032 63.100 -0.066 0.000 0.788 235 P CB 0.573 32.202 31.700 -0.119 0.000 0.949 236 P HA -0.111 nan 4.420 nan 0.000 0.220 236 P C 1.549 178.823 177.300 -0.044 0.000 1.148 236 P CA 1.425 64.492 63.100 -0.055 0.000 0.803 236 P CB -0.563 31.099 31.700 -0.062 0.000 0.782 237 G N -0.285 108.470 108.800 -0.075 0.000 2.559 237 G HA2 0.058 4.017 3.960 -0.000 0.000 0.216 237 G HA3 0.058 4.017 3.960 -0.000 0.000 0.216 237 G C 1.304 176.256 174.900 0.086 0.000 1.126 237 G CA 0.626 45.721 45.100 -0.008 0.000 0.778 237 G HN 0.470 nan 8.290 nan 0.000 0.543 238 G N -1.181 107.628 108.800 0.015 0.000 2.155 238 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.257 238 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.257 238 G C 0.186 175.179 174.900 0.155 0.000 0.983 238 G CA 0.756 45.895 45.100 0.065 0.000 0.676 238 G HN 1.512 nan 8.290 nan 0.000 0.528 239 F N -2.272 117.678 119.950 0.001 0.000 2.686 239 F HA 0.841 5.368 4.527 -0.000 0.000 0.311 239 F C -1.093 174.739 175.800 0.054 0.000 1.128 239 F CA -1.698 56.307 58.000 0.009 0.000 0.946 239 F CB 1.548 40.524 39.000 -0.040 0.000 1.336 239 F HN 0.328 nan 8.300 nan 0.000 0.457 240 V N 2.006 122.067 119.914 0.245 0.000 2.841 240 V HA 0.764 4.884 4.120 -0.000 0.000 0.310 240 V C -1.592 174.740 176.094 0.398 0.000 1.090 240 V CA -0.220 62.164 62.300 0.141 0.000 0.930 240 V CB 2.222 34.147 31.823 0.170 0.000 1.014 240 V HN 1.157 nan 8.190 nan 0.000 0.425 241 Q N 4.011 123.974 119.800 0.271 0.000 2.575 241 Q HA 0.587 4.927 4.340 -0.000 0.000 0.290 241 Q C -1.481 174.577 176.000 0.097 0.000 0.963 241 Q CA -0.664 55.360 55.803 0.367 0.000 0.783 241 Q CB 1.729 30.854 28.738 0.645 0.000 1.467 241 Q HN 0.601 nan 8.270 nan 0.000 0.402 242 N N 0.321 119.105 118.700 0.141 0.000 2.554 242 N HA 0.297 5.036 4.740 -0.000 0.000 0.271 242 N C -1.502 174.045 175.510 0.062 0.000 1.081 242 N CA -0.235 52.843 53.050 0.046 0.000 0.994 242 N CB 1.984 40.493 38.487 0.038 0.000 1.641 242 N HN 0.611 nan 8.380 nan 0.000 0.511 243 S N 2.436 118.161 115.700 0.042 0.000 2.668 243 S HA 0.293 4.762 4.470 -0.000 0.000 0.244 243 S C 0.393 174.997 174.600 0.006 0.000 1.140 243 S CA -0.416 57.787 58.200 0.006 0.000 1.134 243 S CB -0.586 62.649 63.200 0.059 0.000 0.954 243 S HN 0.823 nan 8.310 nan 0.000 0.490 244 N N 1.637 120.347 118.700 0.018 0.000 2.965 244 N HA -0.146 4.594 4.740 -0.000 0.000 0.232 244 N C -0.643 174.859 175.510 -0.013 0.000 0.913 244 N CA 1.055 54.123 53.050 0.031 0.000 0.981 244 N CB -0.753 37.763 38.487 0.049 0.000 1.077 244 N HN 0.616 nan 8.380 nan 0.000 0.589 245 D N 0.708 121.060 120.400 -0.081 0.000 2.344 245 D HA 0.295 4.935 4.640 -0.000 0.000 0.244 245 D C -2.381 173.764 176.300 -0.259 0.000 1.134 245 D CA -1.266 52.591 54.000 -0.239 0.000 0.930 245 D CB 0.053 40.593 40.800 -0.433 0.000 1.175 245 D HN -0.087 nan 8.370 nan 0.000 0.437 246 P HA 0.071 nan 4.420 nan 0.000 0.269 246 P C -1.827 175.162 177.300 -0.520 0.000 1.217 246 P CA -0.770 62.118 63.100 -0.353 0.000 0.783 246 P CB -0.125 31.463 31.700 -0.187 0.000 0.898 247 P HA -0.039 nan 4.420 nan 0.000 0.263 247 P C 0.060 177.171 177.300 -0.314 0.000 1.386 247 P CA 0.610 63.406 63.100 -0.507 0.000 0.797 247 P CB -0.500 30.881 31.700 -0.531 0.000 1.381 248 W N 0.568 122.023 121.300 0.258 0.000 3.003 248 W HA 0.054 4.714 4.660 -0.000 0.000 0.257 248 W C 0.760 177.457 176.519 0.296 0.000 1.308 248 W CA 0.384 57.941 57.345 0.354 0.000 1.529 248 W CB -0.053 29.658 29.460 0.418 0.000 1.115 248 W HN 0.066 nan 8.180 nan 0.000 0.659 249 T N -3.395 111.413 114.554 0.424 0.000 3.732 249 T HA 0.180 4.530 4.350 -0.000 0.000 0.234 249 T C -1.681 173.113 174.700 0.156 0.000 1.146 249 T CA -1.394 60.919 62.100 0.355 0.000 1.454 249 T CB 0.726 69.892 68.868 0.497 0.000 0.910 249 T HN -0.203 nan 8.240 nan 0.000 0.640 250 P HA 0.126 nan 4.420 nan 0.000 0.233 250 P C 0.484 177.690 177.300 -0.157 0.000 1.167 250 P CA 0.718 63.690 63.100 -0.214 0.000 0.770 250 P CB 0.406 31.858 31.700 -0.414 0.000 0.837 251 T N -2.106 112.361 114.554 -0.144 0.000 2.739 251 T HA 0.442 4.792 4.350 -0.000 0.000 0.303 251 T C -2.716 171.956 174.700 -0.046 0.000 1.389 251 T CA -0.686 61.136 62.100 -0.464 0.000 1.001 251 T CB 1.168 69.726 68.868 -0.516 0.000 1.436 251 T HN -0.021 nan 8.240 nan 0.000 0.500 252 W N 4.274 125.336 121.300 -0.396 0.000 3.132 252 W HA 0.427 5.087 4.660 -0.000 0.000 0.337 252 W C -2.764 173.732 176.519 -0.038 0.000 1.082 252 W CA -1.858 55.458 57.345 -0.048 0.000 1.242 252 W CB 1.818 31.394 29.460 0.193 0.000 1.354 252 W HN 0.600 nan 8.180 nan 0.000 0.461 253 P HA 0.073 nan 4.420 nan 0.000 0.272 253 P C 0.139 177.229 177.300 -0.350 0.000 1.223 253 P CA 0.132 62.837 63.100 -0.658 0.000 0.784 253 P CB 1.432 32.801 31.700 -0.551 0.000 0.923 254 V N -0.116 119.599 119.914 -0.332 0.000 3.237 254 V HA 0.218 4.337 4.120 -0.000 0.000 0.305 254 V C 1.252 177.215 176.094 -0.219 0.000 1.096 254 V CA 0.840 63.018 62.300 -0.202 0.000 1.130 254 V CB -0.211 31.553 31.823 -0.099 0.000 1.048 254 V HN 0.795 nan 8.190 nan 0.000 0.484 255 T N -1.230 113.160 114.554 -0.274 0.000 3.044 255 T HA 0.404 4.753 4.350 -0.000 0.000 0.260 255 T C 0.024 174.728 174.700 0.007 0.000 1.019 255 T CA 0.532 62.550 62.100 -0.136 0.000 0.921 255 T CB -0.423 68.405 68.868 -0.067 0.000 1.053 255 T HN 1.346 nan 8.240 nan 0.000 0.533 256 Y N -0.571 119.824 120.300 0.158 0.000 2.750 256 Y HA 0.729 5.279 4.550 -0.000 0.000 0.335 256 Y C -0.764 175.273 175.900 0.228 0.000 1.252 256 Y CA -1.459 56.762 58.100 0.202 0.000 1.064 256 Y CB 0.686 39.362 38.460 0.360 0.000 1.321 256 Y HN 0.152 nan 8.280 nan 0.000 0.451 257 T N -3.304 111.556 114.554 0.510 0.000 2.887 257 T HA 0.527 4.877 4.350 -0.000 0.000 0.292 257 T C -2.664 172.080 174.700 0.073 0.000 1.087 257 T CA -2.440 59.814 62.100 0.256 0.000 1.009 257 T CB 2.283 71.178 68.868 0.044 0.000 1.203 257 T HN 0.352 nan 8.240 nan 0.000 0.518 258 P HA -0.123 nan 4.420 nan 0.000 0.216 258 P C 1.259 178.355 177.300 -0.340 0.000 1.150 258 P CA 1.292 63.757 63.100 -1.058 0.000 0.843 258 P CB -0.069 30.940 31.700 -1.152 0.000 0.787 259 K N -0.980 119.296 120.400 -0.207 0.000 2.442 259 K HA -0.086 4.234 4.320 -0.000 0.000 0.198 259 K C 0.765 177.277 176.600 -0.147 0.000 1.042 259 K CA 1.214 57.422 56.287 -0.132 0.000 0.958 259 K CB -0.558 31.880 32.500 -0.104 0.000 0.766 259 K HN 0.086 nan 8.250 nan 0.000 0.474 260 D N 0.090 120.371 120.400 -0.197 0.000 2.349 260 D HA 0.081 4.721 4.640 -0.000 0.000 0.224 260 D C -0.411 175.354 176.300 -0.891 0.000 1.029 260 D CA 0.566 54.258 54.000 -0.514 0.000 0.879 260 D CB 0.063 40.473 40.800 -0.651 0.000 0.906 260 D HN 0.136 nan 8.370 nan 0.000 0.528 261 F N -0.469 119.412 119.950 -0.116 0.000 2.613 261 F HA 0.377 4.904 4.527 -0.000 0.000 0.314 261 F C -2.124 173.559 175.800 -0.197 0.000 1.075 261 F CA -2.696 55.213 58.000 -0.153 0.000 0.945 261 F CB 0.621 39.545 39.000 -0.125 0.000 1.310 261 F HN -0.412 nan 8.300 nan 0.000 0.467 262 P HA 0.027 nan 4.420 nan 0.000 0.264 262 P C 0.482 177.592 177.300 -0.316 0.000 1.183 262 P CA 0.222 63.087 63.100 -0.393 0.000 0.763 262 P CB 0.610 31.729 31.700 -0.968 0.000 0.807 263 S N 1.566 117.178 115.700 -0.146 0.000 2.595 263 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 263 S C 1.113 175.789 174.600 0.127 0.000 0.974 263 S CA 0.518 58.735 58.200 0.029 0.000 0.942 263 S CB -1.101 62.158 63.200 0.099 0.000 0.766 263 S HN 0.583 nan 8.310 nan 0.000 0.536 264 Y N -0.868 119.536 120.300 0.173 0.000 2.458 264 Y HA 0.551 5.100 4.550 -0.000 0.000 0.256 264 Y C 1.344 177.310 175.900 0.111 0.000 1.159 264 Y CA -1.193 57.014 58.100 0.178 0.000 1.261 264 Y CB -0.471 38.073 38.460 0.141 0.000 1.119 264 Y HN 0.130 nan 8.280 nan 0.000 0.524 265 L N 0.662 121.890 121.223 0.008 0.000 2.068 265 L HA 0.273 4.613 4.340 -0.000 0.000 0.204 265 L C 1.034 177.971 176.870 0.112 0.000 1.076 265 L CA 0.928 55.795 54.840 0.045 0.000 0.753 265 L CB -0.204 41.750 42.059 -0.174 0.000 0.910 265 L HN 0.390 nan 8.230 nan 0.000 0.439 266 A N -1.118 121.753 122.820 0.085 0.000 2.556 266 A HA 0.674 4.994 4.320 -0.000 0.000 0.294 266 A C -2.572 175.173 177.584 0.269 0.000 1.091 266 A CA -1.117 50.984 52.037 0.107 0.000 0.704 266 A CB 1.165 19.994 19.000 -0.286 0.000 1.300 266 A HN -0.137 nan 8.150 nan 0.000 0.406 267 P HA 0.300 nan 4.420 nan 0.000 0.276 267 P C -0.992 176.579 177.300 0.452 0.000 1.261 267 P CA -0.047 63.228 63.100 0.291 0.000 0.800 267 P CB 0.764 32.588 31.700 0.206 0.000 1.066 268 Q N -0.167 119.860 119.800 0.378 0.000 2.324 268 Q HA 0.188 4.527 4.340 -0.000 0.000 0.373 268 Q C 0.036 176.234 176.000 0.330 0.000 0.909 268 Q CA -0.283 55.776 55.803 0.426 0.000 1.135 268 Q CB 0.368 29.258 28.738 0.252 0.000 1.313 268 Q HN 0.514 nan 8.270 nan 0.000 0.417 269 T N -1.831 112.874 114.554 0.251 0.000 2.874 269 T HA 0.443 4.792 4.350 -0.000 0.000 0.281 269 T C -2.287 172.355 174.700 -0.097 0.000 0.994 269 T CA -1.895 60.276 62.100 0.117 0.000 1.015 269 T CB 0.951 69.867 68.868 0.081 0.000 1.028 269 T HN -0.012 nan 8.240 nan 0.000 0.523 270 P HA 0.114 nan 4.420 nan 0.000 0.268 270 P C -0.513 176.305 177.300 -0.802 0.000 1.204 270 P CA -0.178 62.230 63.100 -1.154 0.000 0.768 270 P CB 0.156 31.510 31.700 -0.577 0.000 0.842 271 H N 0.254 118.545 119.070 -1.298 0.000 2.848 271 H HA 0.115 4.670 4.556 -0.000 0.000 0.341 271 H C 1.132 176.275 175.328 -0.308 0.000 1.060 271 H CA -0.288 55.470 56.048 -0.482 0.000 1.444 271 H CB 0.008 29.664 29.762 -0.178 0.000 1.446 271 H HN 0.395 nan 8.280 nan 0.000 0.583 272 S N 2.341 118.037 115.700 -0.007 0.000 2.589 272 S HA 0.046 4.516 4.470 -0.000 0.000 0.265 272 S C 1.627 176.288 174.600 0.100 0.000 1.342 272 S CA -0.730 57.496 58.200 0.044 0.000 1.005 272 S CB 0.559 63.804 63.200 0.075 0.000 0.909 272 S HN 0.611 nan 8.310 nan 0.000 0.555 273 L N 0.489 121.792 121.223 0.134 0.000 2.191 273 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 273 L C 2.985 179.965 176.870 0.183 0.000 1.103 273 L CA 1.582 56.519 54.840 0.162 0.000 0.769 273 L CB -0.560 41.614 42.059 0.192 0.000 0.908 273 L HN 0.823 nan 8.230 nan 0.000 0.438 274 R N 0.608 121.220 120.500 0.188 0.000 2.075 274 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 274 R C 2.356 178.808 176.300 0.254 0.000 1.126 274 R CA 1.383 57.618 56.100 0.224 0.000 0.963 274 R CB -0.211 30.188 30.300 0.163 0.000 0.858 274 R HN 0.286 nan 8.270 nan 0.000 0.435 275 A N 0.739 123.671 122.820 0.187 0.000 1.933 275 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 275 A C 2.045 179.755 177.584 0.211 0.000 1.175 275 A CA 1.350 53.499 52.037 0.186 0.000 0.628 275 A CB -0.412 18.647 19.000 0.098 0.000 0.814 275 A HN 0.514 nan 8.150 nan 0.000 0.444 276 Q N -1.033 118.882 119.800 0.193 0.000 2.119 276 Q HA -0.179 4.161 4.340 -0.000 0.000 0.201 276 Q C 2.301 178.365 176.000 0.106 0.000 0.972 276 Q CA 1.296 57.192 55.803 0.155 0.000 0.847 276 Q CB -0.152 28.678 28.738 0.153 0.000 0.903 276 Q HN 0.598 nan 8.270 nan 0.000 0.433 277 Q N -0.056 119.830 119.800 0.144 0.000 2.084 277 Q HA -0.134 4.205 4.340 -0.000 0.000 0.202 277 Q C 2.217 178.263 176.000 0.077 0.000 0.978 277 Q CA 1.254 57.120 55.803 0.106 0.000 0.844 277 Q CB -0.360 28.485 28.738 0.179 0.000 0.898 277 Q HN 0.245 nan 8.270 nan 0.000 0.426 278 S N -0.076 115.761 115.700 0.228 0.000 2.359 278 S HA -0.133 4.336 4.470 -0.000 0.000 0.224 278 S C 2.057 176.743 174.600 0.144 0.000 1.035 278 S CA 1.525 59.921 58.200 0.326 0.000 1.018 278 S CB -0.146 63.402 63.200 0.579 0.000 0.876 278 S HN 0.200 nan 8.310 nan 0.000 0.448 279 V N 2.751 122.732 119.914 0.111 0.000 2.343 279 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 279 V C 2.812 178.794 176.094 -0.188 0.000 1.051 279 V CA 1.839 64.152 62.300 0.022 0.000 1.036 279 V CB -0.718 31.124 31.823 0.032 0.000 0.654 279 V HN 0.436 nan 8.190 nan 0.000 0.451 280 R N -0.157 120.242 120.500 -0.168 0.000 2.073 280 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 280 R C 2.303 178.444 176.300 -0.266 0.000 1.134 280 R CA 1.325 57.304 56.100 -0.201 0.000 0.952 280 R CB -0.687 29.532 30.300 -0.135 0.000 0.850 280 R HN 0.428 nan 8.270 nan 0.000 0.433 281 L N 0.219 121.264 121.223 -0.297 0.000 2.079 281 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 281 L C 2.619 179.123 176.870 -0.611 0.000 1.081 281 L CA 1.089 55.685 54.840 -0.406 0.000 0.752 281 L CB -0.333 41.474 42.059 -0.419 0.000 0.896 281 L HN 0.166 nan 8.230 nan 0.000 0.433 282 M N -0.555 118.548 119.600 -0.828 0.000 2.191 282 M HA -0.082 4.398 4.480 -0.000 0.000 0.262 282 M C 2.750 178.546 176.300 -0.839 0.000 1.083 282 M CA 1.894 56.528 55.300 -1.109 0.000 1.154 282 M CB -1.063 30.430 32.600 -1.846 0.000 1.344 282 M HN 0.352 nan 8.290 nan 0.000 0.431 283 S N 0.033 115.320 115.700 -0.688 0.000 2.399 283 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 283 S C 1.631 176.168 174.600 -0.105 0.000 1.022 283 S CA 1.244 59.343 58.200 -0.168 0.000 0.983 283 S CB -0.575 62.695 63.200 0.118 0.000 0.803 283 S HN 0.534 nan 8.310 nan 0.000 0.480 284 E N 1.196 121.291 120.200 -0.176 0.000 2.427 284 E HA 0.134 4.484 4.350 -0.000 0.000 0.196 284 E C -0.268 176.255 176.600 -0.129 0.000 1.028 284 E CA 0.103 56.429 56.400 -0.123 0.000 0.864 284 E CB -0.012 29.610 29.700 -0.130 0.000 0.813 284 E HN 0.635 nan 8.360 nan 0.000 0.514 285 N N 0.431 119.022 118.700 -0.182 0.000 2.370 285 N HA 0.216 4.956 4.740 -0.000 0.000 0.303 285 N C -1.002 174.431 175.510 -0.130 0.000 1.103 285 N CA -0.480 52.476 53.050 -0.157 0.000 0.848 285 N CB 1.536 39.906 38.487 -0.195 0.000 1.235 285 N HN -0.129 nan 8.380 nan 0.000 0.496 286 D N -0.569 119.774 120.400 -0.094 0.000 2.566 286 D HA 0.316 4.956 4.640 -0.000 0.000 0.254 286 D C -1.073 175.186 176.300 -0.068 0.000 1.090 286 D CA -0.410 53.548 54.000 -0.071 0.000 1.034 286 D CB 1.040 41.811 40.800 -0.048 0.000 1.434 286 D HN 0.507 nan 8.370 nan 0.000 0.509 287 D N -0.003 120.362 120.400 -0.058 0.000 2.686 287 D HA -0.181 4.458 4.640 -0.000 0.000 0.235 287 D C -0.334 175.927 176.300 -0.064 0.000 1.160 287 D CA 0.545 54.511 54.000 -0.056 0.000 0.645 287 D CB -0.921 39.851 40.800 -0.047 0.000 1.039 287 D HN 0.243 nan 8.370 nan 0.000 0.423 288 L N 0.101 121.277 121.223 -0.078 0.000 2.456 288 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 288 L C 1.425 178.246 176.870 -0.082 0.000 1.189 288 L CA 0.317 55.109 54.840 -0.080 0.000 0.846 288 L CB 0.616 42.616 42.059 -0.098 0.000 1.111 288 L HN 0.195 nan 8.230 nan 0.000 0.475 289 T N -0.783 113.735 114.554 -0.060 0.000 2.930 289 T HA 0.308 4.658 4.350 -0.000 0.000 0.290 289 T C 0.585 175.259 174.700 -0.044 0.000 1.052 289 T CA -0.904 61.159 62.100 -0.062 0.000 1.017 289 T CB 1.648 70.487 68.868 -0.049 0.000 1.137 289 T HN 0.385 nan 8.240 nan 0.000 0.511 290 L N 0.800 121.989 121.223 -0.058 0.000 2.046 290 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 290 L C 2.330 179.200 176.870 0.000 0.000 1.077 290 L CA 1.996 56.821 54.840 -0.024 0.000 0.747 290 L CB -1.157 40.878 42.059 -0.041 0.000 0.896 290 L HN 0.808 nan 8.230 nan 0.000 0.432 291 E N -0.559 119.609 120.200 -0.054 0.000 2.051 291 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 291 E C 2.325 178.894 176.600 -0.051 0.000 0.991 291 E CA 1.369 57.717 56.400 -0.087 0.000 0.799 291 E CB -0.320 29.330 29.700 -0.083 0.000 0.748 291 E HN 0.291 nan 8.360 nan 0.000 0.449 292 R N -0.056 120.431 120.500 -0.021 0.000 2.092 292 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 292 R C 1.989 178.302 176.300 0.022 0.000 1.119 292 R CA 1.045 57.134 56.100 -0.019 0.000 0.970 292 R CB -0.885 29.398 30.300 -0.028 0.000 0.864 292 R HN 0.234 nan 8.270 nan 0.000 0.440 293 F N 0.447 120.327 119.950 -0.116 0.000 2.095 293 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 293 F C 1.941 177.718 175.800 -0.038 0.000 1.104 293 F CA 1.974 59.922 58.000 -0.088 0.000 1.232 293 F CB -0.267 38.685 39.000 -0.079 0.000 0.987 293 F HN 0.022 nan 8.300 nan 0.000 0.475 294 M N -0.332 119.240 119.600 -0.046 0.000 2.117 294 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 294 M C 2.421 178.624 176.300 -0.161 0.000 1.065 294 M CA 1.649 56.811 55.300 -0.230 0.000 1.114 294 M CB -0.748 31.658 32.600 -0.323 0.000 1.361 294 M HN 0.260 nan 8.290 nan 0.000 0.408 295 A N 0.451 123.211 122.820 -0.100 0.000 1.933 295 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 295 A C 2.091 179.632 177.584 -0.071 0.000 1.175 295 A CA 1.342 53.338 52.037 -0.069 0.000 0.628 295 A CB -0.882 18.081 19.000 -0.062 0.000 0.814 295 A HN 0.466 nan 8.150 nan 0.000 0.444 296 L N -0.894 120.278 121.223 -0.085 0.000 2.141 296 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 296 L C 2.819 179.693 176.870 0.006 0.000 1.094 296 L CA 1.202 55.997 54.840 -0.073 0.000 0.763 296 L CB -0.444 41.524 42.059 -0.152 0.000 0.908 296 L HN 0.466 nan 8.230 nan 0.000 0.437 297 Q N 0.863 120.659 119.800 -0.007 0.000 2.170 297 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 297 Q C 2.065 178.147 176.000 0.136 0.000 0.976 297 Q CA 1.415 57.228 55.803 0.017 0.000 0.858 297 Q CB -0.050 28.596 28.738 -0.155 0.000 0.907 297 Q HN 0.550 nan 8.270 nan 0.000 0.433 298 L N 1.497 122.753 121.223 0.054 0.000 2.552 298 L HA 0.016 4.356 4.340 -0.000 0.000 0.227 298 L C 1.018 177.853 176.870 -0.058 0.000 1.146 298 L CA 0.100 54.965 54.840 0.042 0.000 0.858 298 L CB -0.323 41.744 42.059 0.013 0.000 0.969 298 L HN 0.045 nan 8.230 nan 0.000 0.451 299 S N 0.428 116.119 115.700 -0.015 0.000 2.546 299 S HA -0.061 4.409 4.470 -0.000 0.000 0.290 299 S C 0.400 175.069 174.600 0.115 0.000 1.290 299 S CA -0.231 57.940 58.200 -0.049 0.000 1.069 299 S CB -0.139 63.060 63.200 -0.002 0.000 0.846 299 S HN 0.573 nan 8.310 nan 0.000 0.495 300 H N 0.246 119.422 119.070 0.177 0.000 2.716 300 H HA 0.482 5.038 4.556 -0.000 0.000 0.230 300 H C -0.134 175.319 175.328 0.209 0.000 1.401 300 H CA -1.077 55.128 56.048 0.262 0.000 1.168 300 H CB 0.034 29.976 29.762 0.300 0.000 1.935 300 H HN 0.541 nan 8.280 nan 0.000 0.538 301 R N 1.633 122.299 120.500 0.277 0.000 2.490 301 R HA 0.393 4.733 4.340 -0.000 0.000 0.280 301 R C -0.067 176.208 176.300 -0.043 0.000 1.077 301 R CA 0.062 56.177 56.100 0.025 0.000 1.065 301 R CB 0.697 30.994 30.300 -0.006 0.000 1.003 301 R HN 0.554 nan 8.270 nan 0.000 0.470 302 A N 4.965 127.530 122.820 -0.424 0.000 3.056 302 A HA 0.195 4.514 4.320 -0.000 0.000 0.274 302 A C 0.973 178.429 177.584 -0.212 0.000 1.661 302 A CA -0.567 51.228 52.037 -0.404 0.000 1.363 302 A CB -0.352 18.088 19.000 -0.932 0.000 1.139 302 A HN 0.707 nan 8.150 nan 0.000 0.598 303 V N 1.526 121.439 119.914 -0.003 0.000 2.380 303 V HA -0.347 3.773 4.120 -0.000 0.000 0.251 303 V C 2.462 178.622 176.094 0.110 0.000 1.063 303 V CA 2.573 64.896 62.300 0.039 0.000 1.055 303 V CB -0.832 31.056 31.823 0.109 0.000 0.657 303 V HN 0.938 nan 8.190 nan 0.000 0.455 304 M N -0.178 119.563 119.600 0.235 0.000 2.279 304 M HA -0.132 4.347 4.480 -0.000 0.000 0.264 304 M C 2.092 178.602 176.300 0.350 0.000 1.062 304 M CA 1.828 57.373 55.300 0.408 0.000 1.099 304 M CB -0.228 32.736 32.600 0.608 0.000 1.394 304 M HN 0.371 nan 8.290 nan 0.000 0.426 305 A N 0.197 123.007 122.820 -0.016 0.000 1.930 305 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 305 A C 1.692 179.175 177.584 -0.168 0.000 1.175 305 A CA 1.922 53.736 52.037 -0.372 0.000 0.627 305 A CB -0.773 17.634 19.000 -0.988 0.000 0.815 305 A HN 0.525 nan 8.150 nan 0.000 0.443 306 D N -0.449 119.874 120.400 -0.128 0.000 2.219 306 D HA -0.098 4.542 4.640 -0.000 0.000 0.205 306 D C 1.800 178.162 176.300 0.103 0.000 0.970 306 D CA 0.785 54.758 54.000 -0.046 0.000 0.851 306 D CB -0.163 40.612 40.800 -0.041 0.000 0.943 306 D HN 0.352 nan 8.370 nan 0.000 0.488 307 R N 0.073 120.672 120.500 0.164 0.000 2.276 307 R HA 0.060 4.400 4.340 -0.000 0.000 0.196 307 R C 1.795 178.119 176.300 0.039 0.000 0.961 307 R CA 0.670 56.902 56.100 0.221 0.000 1.024 307 R CB -0.097 30.398 30.300 0.325 0.000 0.940 307 R HN 0.303 nan 8.270 nan 0.000 0.480 308 T N -2.872 111.726 114.554 0.072 0.000 3.075 308 T HA 0.206 4.556 4.350 -0.000 0.000 0.251 308 T C 2.025 176.653 174.700 -0.120 0.000 0.979 308 T CA -0.347 61.735 62.100 -0.029 0.000 1.033 308 T CB -0.256 68.643 68.868 0.051 0.000 1.104 308 T HN -0.059 nan 8.240 nan 0.000 0.473 309 L N 1.452 122.617 121.223 -0.097 0.000 2.081 309 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 309 L C -0.564 176.247 176.870 -0.099 0.000 1.080 309 L CA 1.645 56.403 54.840 -0.136 0.000 0.754 309 L CB -1.764 40.218 42.059 -0.129 0.000 0.893 309 L HN 0.252 nan 8.230 nan 0.000 0.433 310 P HA -0.163 nan 4.420 nan 0.000 0.216 310 P C 0.855 178.148 177.300 -0.013 0.000 1.150 310 P CA 1.468 64.567 63.100 -0.002 0.000 0.843 310 P CB 0.053 31.805 31.700 0.086 0.000 0.787 311 D N -1.886 118.489 120.400 -0.041 0.000 2.240 311 D HA -0.015 4.624 4.640 -0.000 0.000 0.206 311 D C 1.769 178.030 176.300 -0.064 0.000 0.963 311 D CA 0.441 54.421 54.000 -0.033 0.000 0.863 311 D CB -0.695 40.085 40.800 -0.032 0.000 0.973 311 D HN 0.033 nan 8.370 nan 0.000 0.501 312 L N 0.723 121.864 121.223 -0.137 0.000 2.044 312 L HA 0.003 4.343 4.340 -0.000 0.000 0.205 312 L C 2.046 178.819 176.870 -0.161 0.000 1.075 312 L CA 1.227 55.946 54.840 -0.201 0.000 0.747 312 L CB -0.323 41.461 42.059 -0.458 0.000 0.903 312 L HN -0.059 nan 8.230 nan 0.000 0.435 313 I N -0.044 120.441 120.570 -0.142 0.000 2.127 313 I HA -0.241 3.928 4.170 -0.000 0.000 0.241 313 I C -0.273 175.807 176.117 -0.062 0.000 1.075 313 I CA 1.496 62.736 61.300 -0.100 0.000 1.334 313 I CB -1.604 36.349 38.000 -0.078 0.000 1.040 313 I HN 0.265 nan 8.210 nan 0.000 0.405 314 P HA -0.170 nan 4.420 nan 0.000 0.215 314 P C 1.453 178.742 177.300 -0.019 0.000 1.153 314 P CA 1.832 64.918 63.100 -0.023 0.000 0.853 314 P CB -0.024 31.669 31.700 -0.011 0.000 0.788 315 A N -0.131 122.676 122.820 -0.022 0.000 1.930 315 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 315 A C 2.281 179.856 177.584 -0.014 0.000 1.175 315 A CA 1.891 53.922 52.037 -0.010 0.000 0.627 315 A CB -1.536 17.464 19.000 -0.001 0.000 0.815 315 A HN 0.192 nan 8.150 nan 0.000 0.443 316 A N -0.973 121.826 122.820 -0.035 0.000 2.014 316 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 316 A C 1.808 179.379 177.584 -0.022 0.000 1.163 316 A CA 1.246 53.263 52.037 -0.033 0.000 0.652 316 A CB -0.363 18.597 19.000 -0.066 0.000 0.808 316 A HN 0.367 nan 8.150 nan 0.000 0.449 317 L N 0.101 121.311 121.223 -0.022 0.000 2.376 317 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 317 L C 2.111 178.977 176.870 -0.007 0.000 1.133 317 L CA 1.209 56.040 54.840 -0.015 0.000 0.816 317 L CB -0.574 41.475 42.059 -0.016 0.000 0.933 317 L HN 0.694 nan 8.230 nan 0.000 0.449 318 I N -4.628 115.940 120.570 -0.004 0.000 3.728 318 I HA 0.097 4.267 4.170 -0.000 0.000 0.307 318 I C 0.702 176.822 176.117 0.004 0.000 1.276 318 I CA -0.109 61.192 61.300 0.002 0.000 1.285 318 I CB -0.182 37.821 38.000 0.005 0.000 1.038 318 I HN 0.005 nan 8.210 nan 0.000 0.445 319 D N 3.896 124.299 120.400 0.004 0.000 2.390 319 D HA 0.071 4.710 4.640 -0.000 0.000 0.249 319 D C -1.277 175.027 176.300 0.006 0.000 1.144 319 D CA -1.425 52.579 54.000 0.008 0.000 0.880 319 D CB 1.676 42.481 40.800 0.009 0.000 1.182 319 D HN 0.094 nan 8.370 nan 0.000 0.451 320 P HA -0.124 nan 4.420 nan 0.000 0.218 320 P C 0.356 177.659 177.300 0.005 0.000 1.149 320 P CA 0.426 63.530 63.100 0.006 0.000 0.817 320 P CB 0.199 31.904 31.700 0.007 0.000 0.785 321 D N 1.702 122.107 120.400 0.007 0.000 2.412 321 D HA -0.014 4.626 4.640 -0.000 0.000 0.257 321 D C -1.033 175.269 176.300 0.005 0.000 1.217 321 D CA -1.836 52.168 54.000 0.007 0.000 0.897 321 D CB 0.728 41.534 40.800 0.010 0.000 1.132 321 D HN 0.128 nan 8.370 nan 0.000 0.493 322 P HA -0.135 nan 4.420 nan 0.000 0.222 322 P C 0.980 178.281 177.300 0.001 0.000 1.147 322 P CA 0.757 63.858 63.100 0.001 0.000 0.790 322 P CB 0.554 32.255 31.700 0.001 0.000 0.780 323 E N -0.156 120.046 120.200 0.003 0.000 2.107 323 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 323 E C 2.090 178.693 176.600 0.004 0.000 0.982 323 E CA 0.781 57.184 56.400 0.004 0.000 0.809 323 E CB -0.274 29.431 29.700 0.008 0.000 0.756 323 E HN 0.095 nan 8.360 nan 0.000 0.459 324 V N 1.316 121.233 119.914 0.005 0.000 2.427 324 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 324 V C 2.327 178.416 176.094 -0.009 0.000 1.051 324 V CA 1.591 63.892 62.300 0.002 0.000 1.048 324 V CB -0.428 31.398 31.823 0.006 0.000 0.666 324 V HN 0.230 nan 8.190 nan 0.000 0.456 325 Q N -0.258 119.538 119.800 -0.007 0.000 2.084 325 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 325 Q C 2.429 178.421 176.000 -0.012 0.000 0.978 325 Q CA 1.754 57.551 55.803 -0.010 0.000 0.844 325 Q CB -0.376 28.358 28.738 -0.007 0.000 0.898 325 Q HN 0.681 nan 8.270 nan 0.000 0.426 326 A N 0.896 123.711 122.820 -0.008 0.000 1.898 326 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 326 A C 2.270 179.846 177.584 -0.012 0.000 1.181 326 A CA 1.528 53.559 52.037 -0.009 0.000 0.620 326 A CB -0.785 18.212 19.000 -0.006 0.000 0.819 326 A HN 0.403 nan 8.150 nan 0.000 0.442 327 A N -0.108 122.705 122.820 -0.012 0.000 1.933 327 A HA 0.152 4.471 4.320 -0.000 0.000 0.218 327 A C 2.483 180.051 177.584 -0.027 0.000 1.175 327 A CA 2.076 54.104 52.037 -0.016 0.000 0.628 327 A CB -0.959 18.035 19.000 -0.009 0.000 0.814 327 A HN 1.043 nan 8.150 nan 0.000 0.444 328 A N -0.215 122.585 122.820 -0.034 0.000 1.933 328 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 328 A C 2.236 179.803 177.584 -0.028 0.000 1.175 328 A CA 1.388 53.397 52.037 -0.046 0.000 0.628 328 A CB -0.433 18.538 19.000 -0.049 0.000 0.814 328 A HN 0.542 nan 8.150 nan 0.000 0.444 329 R N -1.203 119.286 120.500 -0.019 0.000 2.115 329 R HA -0.036 4.304 4.340 -0.000 0.000 0.226 329 R C 2.025 178.323 176.300 -0.004 0.000 1.100 329 R CA 1.178 57.271 56.100 -0.012 0.000 0.980 329 R CB -0.494 29.800 30.300 -0.010 0.000 0.875 329 R HN 0.495 nan 8.270 nan 0.000 0.445 330 L N 1.038 122.255 121.223 -0.009 0.000 2.056 330 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 330 L C 1.941 178.818 176.870 0.013 0.000 1.078 330 L CA 1.576 56.410 54.840 -0.011 0.000 0.749 330 L CB -0.227 41.812 42.059 -0.033 0.000 0.901 330 L HN 0.082 nan 8.230 nan 0.000 0.433 331 L N -0.787 120.447 121.223 0.019 0.000 2.156 331 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 331 L C 2.559 179.493 176.870 0.108 0.000 1.095 331 L CA 0.875 55.768 54.840 0.089 0.000 0.770 331 L CB -0.731 41.360 42.059 0.053 0.000 0.914 331 L HN 0.348 nan 8.230 nan 0.000 0.439 332 A N -0.147 122.695 122.820 0.036 0.000 1.968 332 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 332 A C 2.353 179.949 177.584 0.020 0.000 1.169 332 A CA 1.357 53.400 52.037 0.009 0.000 0.638 332 A CB -0.398 18.595 19.000 -0.012 0.000 0.812 332 A HN 0.354 nan 8.150 nan 0.000 0.446 333 A N -1.979 120.869 122.820 0.046 0.000 2.218 333 A HA 0.209 4.529 4.320 -0.000 0.000 0.209 333 A C 0.649 178.292 177.584 0.099 0.000 1.168 333 A CA -0.164 51.899 52.037 0.044 0.000 0.804 333 A CB -0.384 18.635 19.000 0.031 0.000 0.834 333 A HN 0.650 nan 8.150 nan 0.000 0.482 334 W N 2.531 123.766 121.300 -0.108 0.000 2.216 334 W HA 0.341 5.000 4.660 -0.000 0.000 0.326 334 W C 0.163 176.586 176.519 -0.159 0.000 1.319 334 W CA -0.481 56.782 57.345 -0.138 0.000 1.213 334 W CB 0.701 30.060 29.460 -0.167 0.000 1.171 334 W HN 0.377 nan 8.180 nan 0.000 0.557 335 D N 3.717 123.943 120.400 -0.289 0.000 2.336 335 D HA -0.083 4.557 4.640 -0.000 0.000 0.229 335 D C 0.579 176.340 176.300 -0.899 0.000 1.061 335 D CA 0.146 53.874 54.000 -0.453 0.000 0.875 335 D CB -0.255 40.407 40.800 -0.230 0.000 0.904 335 D HN 0.648 nan 8.370 nan 0.000 0.525 336 R N -0.827 118.464 120.500 -2.014 0.000 3.770 336 R HA -0.122 4.218 4.340 -0.000 0.000 0.305 336 R C -0.758 174.699 176.300 -1.405 0.000 1.184 336 R CA 0.786 55.458 56.100 -2.380 0.000 0.823 336 R CB -1.906 27.604 30.300 -1.316 0.000 1.285 336 R HN 0.305 nan 8.270 nan 0.000 0.499 337 E N 0.147 119.805 120.200 -0.904 0.000 2.212 337 E HA 0.227 4.577 4.350 -0.000 0.000 0.268 337 E C -0.316 176.080 176.600 -0.341 0.000 0.902 337 E CA -0.811 55.323 56.400 -0.443 0.000 0.779 337 E CB 0.612 30.203 29.700 -0.181 0.000 1.172 337 E HN -0.024 nan 8.360 nan 0.000 0.409 338 F N 1.721 121.436 119.950 -0.392 0.000 2.669 338 F HA 0.062 4.589 4.527 -0.000 0.000 0.353 338 F C 1.192 176.511 175.800 -0.801 0.000 1.192 338 F CA -0.312 57.310 58.000 -0.630 0.000 1.317 338 F CB -0.503 38.193 39.000 -0.507 0.000 1.652 338 F HN 0.104 nan 8.300 nan 0.000 0.608 339 T N -3.707 110.629 114.554 -0.362 0.000 2.874 339 T HA 0.198 4.547 4.350 -0.000 0.000 0.281 339 T C 1.503 176.217 174.700 0.024 0.000 0.994 339 T CA -0.635 61.374 62.100 -0.152 0.000 1.015 339 T CB 1.519 70.373 68.868 -0.025 0.000 1.028 339 T HN 0.168 nan 8.240 nan 0.000 0.523 340 S N 1.005 116.773 115.700 0.114 0.000 2.382 340 S HA -0.109 4.360 4.470 -0.000 0.000 0.228 340 S C 1.671 176.330 174.600 0.099 0.000 1.027 340 S CA 1.358 59.648 58.200 0.151 0.000 0.991 340 S CB -0.447 62.803 63.200 0.083 0.000 0.823 340 S HN 0.953 nan 8.310 nan 0.000 0.469 341 D N 0.660 121.095 120.400 0.059 0.000 2.340 341 D HA 0.087 4.727 4.640 -0.000 0.000 0.220 341 D C 0.472 176.782 176.300 0.016 0.000 1.039 341 D CA 0.043 54.061 54.000 0.030 0.000 0.866 341 D CB -0.309 40.505 40.800 0.023 0.000 0.913 341 D HN 0.146 nan 8.370 nan 0.000 0.523 342 S N 0.394 116.105 115.700 0.018 0.000 2.537 342 S HA 0.070 4.540 4.470 -0.000 0.000 0.286 342 S C 0.959 175.489 174.600 -0.115 0.000 1.299 342 S CA -0.336 57.831 58.200 -0.056 0.000 1.067 342 S CB 0.612 63.745 63.200 -0.113 0.000 0.864 342 S HN 0.179 nan 8.310 nan 0.000 0.494 343 R N 3.139 123.536 120.500 -0.171 0.000 2.334 343 R HA 0.244 4.584 4.340 -0.000 0.000 0.212 343 R C 1.534 177.685 176.300 -0.248 0.000 0.897 343 R CA 0.619 56.624 56.100 -0.159 0.000 1.056 343 R CB 0.183 30.426 30.300 -0.096 0.000 1.046 343 R HN 0.651 nan 8.270 nan 0.000 0.513 344 A N 0.297 122.826 122.820 -0.485 0.000 2.229 344 A HA 0.327 4.647 4.320 -0.000 0.000 0.211 344 A C 2.024 179.122 177.584 -0.809 0.000 1.193 344 A CA 0.552 52.229 52.037 -0.600 0.000 0.879 344 A CB 0.150 18.768 19.000 -0.637 0.000 0.911 344 A HN 0.223 nan 8.150 nan 0.000 0.492 345 A N 0.842 123.083 122.820 -0.964 0.000 1.873 345 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 345 A C 2.076 179.660 177.584 0.000 0.000 1.193 345 A CA 1.778 53.465 52.037 -0.583 0.000 0.629 345 A CB -0.822 18.009 19.000 -0.283 0.000 0.826 345 A HN 0.473 nan 8.150 nan 0.000 0.447 346 L N -1.248 119.993 121.223 0.030 0.000 2.012 346 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 346 L C 2.618 179.548 176.870 0.099 0.000 1.073 346 L CA 1.520 56.372 54.840 0.019 0.000 0.748 346 L CB -0.672 41.190 42.059 -0.328 0.000 0.891 346 L HN 0.515 nan 8.230 nan 0.000 0.431 347 L N -0.575 120.671 121.223 0.038 0.000 2.079 347 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 347 L C 2.330 179.301 176.870 0.168 0.000 1.081 347 L CA 1.679 56.576 54.840 0.095 0.000 0.752 347 L CB -0.668 41.409 42.059 0.031 0.000 0.896 347 L HN 0.108 nan 8.230 nan 0.000 0.433 348 F N 0.561 120.527 119.950 0.026 0.000 2.146 348 F HA -0.152 4.374 4.527 -0.000 0.000 0.298 348 F C 2.284 178.292 175.800 0.347 0.000 1.096 348 F CA 1.826 59.931 58.000 0.175 0.000 1.275 348 F CB -0.234 38.831 39.000 0.107 0.000 1.008 348 F HN 0.237 nan 8.300 nan 0.000 0.480 349 E N -0.129 120.231 120.200 0.266 0.000 2.058 349 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 349 E C 2.075 178.824 176.600 0.248 0.000 0.997 349 E CA 1.377 57.935 56.400 0.264 0.000 0.801 349 E CB -0.235 29.709 29.700 0.407 0.000 0.746 349 E HN 0.389 nan 8.360 nan 0.000 0.450 350 E N 0.090 120.425 120.200 0.225 0.000 2.110 350 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 350 E C 1.618 178.292 176.600 0.124 0.000 0.988 350 E CA 0.801 57.306 56.400 0.175 0.000 0.804 350 E CB -0.349 29.462 29.700 0.184 0.000 0.745 350 E HN 0.432 nan 8.360 nan 0.000 0.458 351 W N 1.530 122.796 121.300 -0.057 0.000 2.409 351 W HA -0.043 4.617 4.660 -0.000 0.000 0.299 351 W C 2.345 178.815 176.519 -0.082 0.000 1.203 351 W CA 2.052 59.342 57.345 -0.091 0.000 1.298 351 W CB -0.374 28.991 29.460 -0.160 0.000 1.127 351 W HN 0.031 nan 8.180 nan 0.000 0.528 352 A N 0.910 123.609 122.820 -0.202 0.000 1.933 352 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 352 A C 2.021 179.614 177.584 0.014 0.000 1.175 352 A CA 1.739 53.661 52.037 -0.191 0.000 0.628 352 A CB -0.770 18.193 19.000 -0.062 0.000 0.814 352 A HN 0.402 nan 8.150 nan 0.000 0.444 353 R N -0.727 119.807 120.500 0.057 0.000 2.127 353 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 353 R C 1.840 178.001 176.300 -0.232 0.000 1.134 353 R CA 1.447 57.431 56.100 -0.195 0.000 0.975 353 R CB -0.396 29.798 30.300 -0.177 0.000 0.865 353 R HN 0.550 nan 8.270 nan 0.000 0.447 354 L N -1.390 119.688 121.223 -0.241 0.000 2.168 354 L HA -0.029 4.311 4.340 -0.000 0.000 0.203 354 L C 2.159 178.838 176.870 -0.318 0.000 1.078 354 L CA 0.488 55.177 54.840 -0.252 0.000 0.780 354 L CB -0.392 41.537 42.059 -0.217 0.000 0.939 354 L HN 0.060 nan 8.230 nan 0.000 0.451 355 F N 1.267 120.804 119.950 -0.688 0.000 2.134 355 F HA -0.115 4.411 4.527 -0.000 0.000 0.299 355 F C 1.954 177.483 175.800 -0.451 0.000 1.097 355 F CA 1.441 58.994 58.000 -0.744 0.000 1.264 355 F CB 0.049 38.182 39.000 -1.446 0.000 1.001 355 F HN -0.036 nan 8.300 nan 0.000 0.479 356 A N -0.299 122.336 122.820 -0.309 0.000 2.571 356 A HA 0.597 4.917 4.320 -0.000 0.000 0.274 356 A C 0.756 178.247 177.584 -0.155 0.000 1.196 356 A CA 0.370 52.275 52.037 -0.219 0.000 0.957 356 A CB -0.835 18.222 19.000 0.094 0.000 1.150 356 A HN 0.938 nan 8.150 nan 0.000 0.539 357 G N -0.840 107.826 108.800 -0.223 0.000 2.730 357 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 357 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 357 G C 0.230 174.894 174.900 -0.394 0.000 1.343 357 G CA -0.121 44.833 45.100 -0.244 0.000 0.826 357 G HN 0.075 nan 8.290 nan 0.000 0.582 358 Q N 0.398 119.971 119.800 -0.379 0.000 2.234 358 Q HA -0.129 4.210 4.340 -0.000 0.000 0.206 358 Q C 2.225 177.787 176.000 -0.731 0.000 0.980 358 Q CA 2.031 57.528 55.803 -0.510 0.000 0.869 358 Q CB -0.213 28.342 28.738 -0.305 0.000 0.912 358 Q HN 0.857 nan 8.270 nan 0.000 0.436 359 N N -1.072 117.335 118.700 -0.488 0.000 2.280 359 N HA -0.066 4.674 4.740 -0.000 0.000 0.192 359 N C -0.209 175.209 175.510 -0.153 0.000 1.109 359 N CA -0.088 52.762 53.050 -0.334 0.000 0.855 359 N CB -0.169 38.242 38.487 -0.127 0.000 0.974 359 N HN 0.043 nan 8.380 nan 0.000 0.482 360 F N -1.071 118.841 119.950 -0.064 0.000 3.006 360 F HA -0.275 4.252 4.527 -0.000 0.000 0.289 360 F C 1.321 177.157 175.800 0.060 0.000 0.772 360 F CA 0.433 58.434 58.000 0.000 0.000 1.162 360 F CB -1.951 37.069 39.000 0.033 0.000 1.382 360 F HN 0.334 nan 8.300 nan 0.000 0.406 361 A N -0.046 122.859 122.820 0.142 0.000 2.308 361 A HA 0.545 4.864 4.320 -0.000 0.000 0.217 361 A C 1.714 179.361 177.584 0.105 0.000 1.216 361 A CA 0.464 52.577 52.037 0.127 0.000 0.864 361 A CB -0.526 18.517 19.000 0.072 0.000 0.902 361 A HN 0.569 nan 8.150 nan 0.000 0.499 362 G N -0.948 107.889 108.800 0.061 0.000 2.491 362 G HA2 0.347 4.307 3.960 -0.000 0.000 0.238 362 G HA3 0.347 4.307 3.960 -0.000 0.000 0.238 362 G C 0.399 175.366 174.900 0.111 0.000 1.277 362 G CA -0.151 44.955 45.100 0.010 0.000 0.851 362 G HN 0.250 nan 8.290 nan 0.000 0.573 363 Q N 1.170 121.033 119.800 0.105 0.000 2.280 363 Q HA 0.133 4.473 4.340 -0.000 0.000 0.244 363 Q C 2.517 178.619 176.000 0.171 0.000 0.847 363 Q CA 0.534 56.498 55.803 0.270 0.000 0.945 363 Q CB 0.475 29.338 28.738 0.209 0.000 1.115 363 Q HN 0.653 nan 8.270 nan 0.000 0.513 364 A N 1.004 123.812 122.820 -0.021 0.000 2.024 364 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 364 A C 2.085 179.566 177.584 -0.171 0.000 1.164 364 A CA 1.839 53.832 52.037 -0.072 0.000 0.643 364 A CB -0.775 18.162 19.000 -0.104 0.000 0.806 364 A HN 0.383 nan 8.150 nan 0.000 0.451 365 G N -1.664 106.838 108.800 -0.495 0.000 2.572 365 G HA2 0.227 4.187 3.960 -0.000 0.000 0.216 365 G HA3 0.227 4.187 3.960 -0.000 0.000 0.216 365 G C 0.340 175.095 174.900 -0.241 0.000 1.133 365 G CA -0.230 44.462 45.100 -0.680 0.000 0.791 365 G HN 0.322 nan 8.290 nan 0.000 0.538 366 F N 0.163 120.158 119.950 0.075 0.000 2.459 366 F HA 0.472 4.999 4.527 -0.000 0.000 0.346 366 F C 1.515 177.409 175.800 0.156 0.000 1.128 366 F CA -0.156 57.975 58.000 0.218 0.000 1.268 366 F CB 1.465 40.590 39.000 0.208 0.000 1.161 366 F HN 0.043 nan 8.300 nan 0.000 0.583 367 A N 1.425 124.462 122.820 0.362 0.000 1.898 367 A HA 0.039 4.359 4.320 -0.000 0.000 0.214 367 A C 0.902 178.636 177.584 0.251 0.000 1.183 367 A CA 0.971 53.157 52.037 0.248 0.000 0.622 367 A CB -0.495 18.629 19.000 0.208 0.000 0.824 367 A HN 0.626 nan 8.150 nan 0.000 0.444 368 T N 2.637 117.372 114.554 0.302 0.000 2.772 368 T HA 0.481 4.831 4.350 -0.000 0.000 0.288 368 T C -2.782 172.045 174.700 0.211 0.000 0.994 368 T CA -1.235 61.008 62.100 0.239 0.000 0.951 368 T CB 1.889 70.914 68.868 0.262 0.000 0.933 368 T HN 0.214 nan 8.240 nan 0.000 0.447 369 P HA 0.105 nan 4.420 nan 0.000 0.274 369 P C -0.370 177.016 177.300 0.143 0.000 1.246 369 P CA -0.704 62.498 63.100 0.170 0.000 0.795 369 P CB 0.932 32.727 31.700 0.158 0.000 1.006 370 W N 1.838 123.135 121.300 -0.005 0.000 2.158 370 W HA 0.296 4.956 4.660 -0.000 0.000 0.339 370 W C -0.073 176.445 176.519 -0.002 0.000 1.294 370 W CA 1.148 58.480 57.345 -0.022 0.000 1.231 370 W CB 0.421 29.867 29.460 -0.022 0.000 1.143 370 W HN 0.311 nan 8.180 nan 0.000 0.571 371 S N 5.439 120.526 115.700 -1.022 0.000 2.572 371 S HA 0.202 4.672 4.470 -0.000 0.000 0.274 371 S C -0.066 173.690 174.600 -1.406 0.000 1.150 371 S CA -0.842 56.812 58.200 -0.909 0.000 0.944 371 S CB 1.084 64.034 63.200 -0.417 0.000 1.071 371 S HN 0.611 nan 8.310 nan 0.000 0.479 372 L N 3.520 124.055 121.223 -1.147 0.000 2.353 372 L HA 0.111 4.451 4.340 -0.000 0.000 0.220 372 L C 1.453 178.124 176.870 -0.332 0.000 1.133 372 L CA 1.927 56.319 54.840 -0.747 0.000 0.798 372 L CB -0.438 41.448 42.059 -0.289 0.000 0.922 372 L HN 0.746 nan 8.230 nan 0.000 0.445 373 D N -0.200 120.021 120.400 -0.299 0.000 2.277 373 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 373 D C 0.673 176.919 176.300 -0.088 0.000 0.962 373 D CA 0.864 54.787 54.000 -0.128 0.000 0.865 373 D CB 0.219 40.950 40.800 -0.115 0.000 0.939 373 D HN 0.372 nan 8.370 nan 0.000 0.510 374 K N 0.791 121.061 120.400 -0.217 0.000 3.253 374 K HA 0.148 4.468 4.320 -0.000 0.000 0.174 374 K C -2.028 174.427 176.600 -0.243 0.000 1.071 374 K CA -0.978 55.215 56.287 -0.157 0.000 0.836 374 K CB 2.234 34.649 32.500 -0.141 0.000 0.922 374 K HN -0.083 nan 8.250 nan 0.000 0.565 375 P HA -0.143 nan 4.420 nan 0.000 0.221 375 P C 0.917 178.311 177.300 0.157 0.000 1.145 375 P CA 1.208 64.299 63.100 -0.015 0.000 0.795 375 P CB 0.125 31.867 31.700 0.071 0.000 0.775 376 V N -3.561 116.332 119.914 -0.035 0.000 3.276 376 V HA 0.343 4.463 4.120 -0.000 0.000 0.319 376 V C 1.165 177.259 176.094 -0.000 0.000 1.427 376 V CA 0.593 62.880 62.300 -0.020 0.000 1.102 376 V CB -0.556 31.159 31.823 -0.179 0.000 1.020 376 V HN 0.186 nan 8.190 nan 0.000 0.456 377 S N -0.736 114.970 115.700 0.011 0.000 2.893 377 S HA 0.324 4.794 4.470 -0.000 0.000 0.258 377 S C 0.555 175.187 174.600 0.054 0.000 1.034 377 S CA 0.421 58.629 58.200 0.014 0.000 1.167 377 S CB 0.290 63.467 63.200 -0.038 0.000 1.137 377 S HN 0.876 nan 8.310 nan 0.000 0.650 378 T N 0.011 114.618 114.554 0.088 0.000 2.906 378 T HA 0.710 5.060 4.350 -0.000 0.000 0.295 378 T C -3.431 171.421 174.700 0.253 0.000 1.075 378 T CA -2.105 60.061 62.100 0.110 0.000 1.005 378 T CB 2.049 70.912 68.868 -0.010 0.000 1.136 378 T HN -0.045 nan 8.240 nan 0.000 0.498 379 P HA 0.306 nan 4.420 nan 0.000 0.274 379 P C -1.452 175.772 177.300 -0.127 0.000 1.260 379 P CA -0.217 62.770 63.100 -0.187 0.000 0.793 379 P CB 0.470 31.759 31.700 -0.685 0.000 1.048 380 Y N -1.357 118.928 120.300 -0.025 0.000 2.624 380 Y HA 0.469 5.018 4.550 -0.000 0.000 0.334 380 Y C -0.196 175.949 175.900 0.409 0.000 1.155 380 Y CA 0.648 58.866 58.100 0.197 0.000 1.046 380 Y CB 1.391 39.919 38.460 0.113 0.000 1.316 380 Y HN 0.994 nan 8.280 nan 0.000 0.457 381 G N 1.206 109.423 108.800 -0.972 0.000 2.814 381 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.677 381 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.677 381 G C -2.046 172.878 174.900 0.040 0.000 1.429 381 G CA -0.540 44.236 45.100 -0.540 0.000 0.868 381 G HN 1.140 nan 8.290 nan 0.000 0.553 382 V N 2.112 122.043 119.914 0.028 0.000 2.347 382 V HA 0.427 4.547 4.120 -0.000 0.000 0.280 382 V C 1.677 177.866 176.094 0.157 0.000 1.021 382 V CA 0.326 62.712 62.300 0.143 0.000 0.847 382 V CB 1.269 33.140 31.823 0.081 0.000 0.990 382 V HN 0.962 nan 8.190 nan 0.000 0.444 383 R N 2.703 123.316 120.500 0.189 0.000 2.073 383 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 383 R C 0.531 176.900 176.300 0.116 0.000 1.134 383 R CA 1.473 57.658 56.100 0.142 0.000 0.952 383 R CB 0.283 30.655 30.300 0.120 0.000 0.850 383 R HN 0.733 nan 8.270 nan 0.000 0.433 384 D N -0.831 119.646 120.400 0.129 0.000 2.432 384 D HA 0.190 4.830 4.640 -0.000 0.000 0.265 384 D C -2.086 174.289 176.300 0.125 0.000 1.160 384 D CA -2.280 51.784 54.000 0.107 0.000 0.911 384 D CB 1.684 42.536 40.800 0.086 0.000 1.052 384 D HN -0.042 nan 8.370 nan 0.000 0.508 385 P HA -0.187 nan 4.420 nan 0.000 0.215 385 P C 1.459 178.813 177.300 0.090 0.000 1.157 385 P CA 0.903 64.057 63.100 0.089 0.000 0.874 385 P CB 0.432 32.166 31.700 0.057 0.000 0.790 386 K N 0.156 120.601 120.400 0.074 0.000 2.009 386 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 386 K C 1.953 178.604 176.600 0.083 0.000 1.049 386 K CA 2.146 58.473 56.287 0.066 0.000 0.929 386 K CB -1.050 31.481 32.500 0.052 0.000 0.714 386 K HN 0.021 nan 8.250 nan 0.000 0.440 387 A N 0.772 123.647 122.820 0.092 0.000 1.930 387 A HA -0.038 4.281 4.320 -0.000 0.000 0.217 387 A C 2.351 180.028 177.584 0.155 0.000 1.175 387 A CA 2.001 54.097 52.037 0.098 0.000 0.627 387 A CB -0.615 18.431 19.000 0.077 0.000 0.815 387 A HN 0.432 nan 8.150 nan 0.000 0.443 388 A N -0.590 122.362 122.820 0.220 0.000 1.972 388 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 388 A C 2.142 179.950 177.584 0.372 0.000 1.169 388 A CA 1.730 53.999 52.037 0.387 0.000 0.635 388 A CB -0.699 18.552 19.000 0.419 0.000 0.810 388 A HN 0.378 nan 8.150 nan 0.000 0.446 389 V N 0.228 120.257 119.914 0.192 0.000 2.548 389 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 389 V C 2.017 178.190 176.094 0.132 0.000 1.055 389 V CA 1.960 64.335 62.300 0.125 0.000 1.065 389 V CB -0.618 31.242 31.823 0.062 0.000 0.681 389 V HN 0.474 nan 8.190 nan 0.000 0.462 390 D N -0.096 120.377 120.400 0.123 0.000 2.117 390 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 390 D C 2.329 178.699 176.300 0.117 0.000 0.982 390 D CA 1.179 55.236 54.000 0.095 0.000 0.828 390 D CB -0.099 40.742 40.800 0.069 0.000 0.967 390 D HN 0.514 nan 8.370 nan 0.000 0.464 391 Q N -0.078 119.820 119.800 0.163 0.000 2.124 391 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 391 Q C 2.185 178.348 176.000 0.272 0.000 0.977 391 Q CA 0.540 56.434 55.803 0.153 0.000 0.850 391 Q CB -0.050 28.738 28.738 0.083 0.000 0.901 391 Q HN 0.174 nan 8.270 nan 0.000 0.429 392 L N 0.900 122.364 121.223 0.402 0.000 2.093 392 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 392 L C 2.309 179.283 176.870 0.172 0.000 1.085 392 L CA 1.694 56.744 54.840 0.351 0.000 0.755 392 L CB -0.379 41.755 42.059 0.124 0.000 0.904 392 L HN 0.042 nan 8.230 nan 0.000 0.435 393 R N -1.179 119.395 120.500 0.123 0.000 2.083 393 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 393 R C 1.972 178.315 176.300 0.071 0.000 1.137 393 R CA 2.093 58.239 56.100 0.076 0.000 0.951 393 R CB -0.404 29.931 30.300 0.059 0.000 0.851 393 R HN 0.428 nan 8.270 nan 0.000 0.434 394 T N 0.446 115.046 114.554 0.076 0.000 2.821 394 T HA -0.051 4.298 4.350 -0.000 0.000 0.267 394 T C 1.775 176.513 174.700 0.063 0.000 1.046 394 T CA 1.140 63.272 62.100 0.053 0.000 1.139 394 T CB -0.188 68.702 68.868 0.036 0.000 0.871 394 T HN 0.422 nan 8.240 nan 0.000 0.454 395 A N 1.156 124.039 122.820 0.105 0.000 1.972 395 A HA -0.005 4.314 4.320 -0.000 0.000 0.219 395 A C 2.249 179.896 177.584 0.105 0.000 1.169 395 A CA 1.071 53.181 52.037 0.122 0.000 0.635 395 A CB -0.755 18.374 19.000 0.216 0.000 0.810 395 A HN 0.524 nan 8.150 nan 0.000 0.446 396 I N -0.383 120.241 120.570 0.091 0.000 2.226 396 I HA -0.275 3.894 4.170 -0.000 0.000 0.245 396 I C 2.965 179.114 176.117 0.053 0.000 1.100 396 I CA 1.046 62.388 61.300 0.068 0.000 1.374 396 I CB -0.307 37.724 38.000 0.052 0.000 1.057 396 I HN 0.362 nan 8.210 nan 0.000 0.413 397 A N 0.995 123.840 122.820 0.042 0.000 1.902 397 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 397 A C 2.037 179.631 177.584 0.015 0.000 1.181 397 A CA 1.832 53.883 52.037 0.024 0.000 0.623 397 A CB -0.626 18.384 19.000 0.016 0.000 0.818 397 A HN 0.406 nan 8.150 nan 0.000 0.443 398 N N -0.177 118.536 118.700 0.022 0.000 2.188 398 N HA -0.091 4.648 4.740 -0.000 0.000 0.184 398 N C 1.673 177.187 175.510 0.007 0.000 1.018 398 N CA 1.828 54.880 53.050 0.003 0.000 0.858 398 N CB -0.814 37.680 38.487 0.011 0.000 0.989 398 N HN 0.492 nan 8.380 nan 0.000 0.426 399 T N 1.460 116.058 114.554 0.073 0.000 2.777 399 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 399 T C 1.848 176.616 174.700 0.114 0.000 1.040 399 T CA 1.074 63.270 62.100 0.162 0.000 1.141 399 T CB 0.011 68.988 68.868 0.181 0.000 0.868 399 T HN 0.299 nan 8.240 nan 0.000 0.444 400 K N 0.732 121.167 120.400 0.059 0.000 2.057 400 K HA 0.002 4.321 4.320 -0.000 0.000 0.206 400 K C 2.562 179.154 176.600 -0.014 0.000 1.050 400 K CA 0.781 57.088 56.287 0.034 0.000 0.935 400 K CB -0.114 32.399 32.500 0.022 0.000 0.715 400 K HN 0.130 nan 8.250 nan 0.000 0.439 401 R N 1.734 122.209 120.500 -0.042 0.000 2.081 401 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 401 R C 1.775 177.985 176.300 -0.151 0.000 1.131 401 R CA 1.686 57.741 56.100 -0.076 0.000 0.960 401 R CB 0.091 30.349 30.300 -0.070 0.000 0.856 401 R HN 0.115 nan 8.270 nan 0.000 0.436 402 K N -1.208 119.029 120.400 -0.271 0.000 2.116 402 K HA -0.091 4.228 4.320 -0.000 0.000 0.203 402 K C 1.309 177.513 176.600 -0.660 0.000 1.052 402 K CA 1.211 57.158 56.287 -0.566 0.000 0.952 402 K CB 0.157 32.084 32.500 -0.955 0.000 0.729 402 K HN 0.263 nan 8.250 nan 0.000 0.446 403 Y N -1.139 119.145 120.300 -0.027 0.000 2.453 403 Y HA 0.272 4.822 4.550 -0.000 0.000 0.247 403 Y C 1.282 177.160 175.900 -0.035 0.000 1.124 403 Y CA -0.028 58.047 58.100 -0.041 0.000 1.243 403 Y CB 1.047 39.477 38.460 -0.050 0.000 1.213 403 Y HN 0.202 nan 8.280 nan 0.000 0.523 404 G N 0.305 109.147 108.800 0.071 0.000 2.159 404 G HA2 0.024 3.984 3.960 -0.000 0.000 0.256 404 G HA3 0.024 3.984 3.960 -0.000 0.000 0.256 404 G C 0.167 175.093 174.900 0.044 0.000 0.977 404 G CA 0.194 45.318 45.100 0.041 0.000 0.652 404 G HN 0.903 nan 8.290 nan 0.000 0.531 405 A N -1.334 121.527 122.820 0.068 0.000 2.567 405 A HA 0.702 5.022 4.320 -0.000 0.000 0.291 405 A C 0.609 178.226 177.584 0.055 0.000 1.048 405 A CA -0.015 52.048 52.037 0.043 0.000 0.661 405 A CB -0.135 18.878 19.000 0.022 0.000 1.288 405 A HN 1.421 nan 8.150 nan 0.000 0.424 406 I N -2.219 118.369 120.570 0.029 0.000 3.728 406 I HA 0.281 4.451 4.170 -0.000 0.000 0.307 406 I C 0.313 176.422 176.117 -0.013 0.000 1.276 406 I CA 0.861 62.175 61.300 0.024 0.000 1.285 406 I CB 0.141 38.151 38.000 0.017 0.000 1.038 406 I HN 0.439 nan 8.210 nan 0.000 0.445 407 D N 1.489 121.874 120.400 -0.024 0.000 2.895 407 D HA 0.125 4.764 4.640 -0.000 0.000 0.350 407 D C 0.202 176.468 176.300 -0.058 0.000 1.389 407 D CA -0.366 53.603 54.000 -0.053 0.000 0.812 407 D CB -0.083 40.692 40.800 -0.043 0.000 1.164 407 D HN 0.299 nan 8.370 nan 0.000 0.455 408 R N 1.167 121.628 120.500 -0.065 0.000 2.390 408 R HA 0.360 4.699 4.340 -0.000 0.000 0.291 408 R C -2.424 173.809 176.300 -0.111 0.000 1.070 408 R CA -1.277 54.777 56.100 -0.078 0.000 1.014 408 R CB 0.520 30.776 30.300 -0.074 0.000 1.007 408 R HN -0.135 nan 8.270 nan 0.000 0.466 409 P HA -0.084 nan 4.420 nan 0.000 0.262 409 P C -0.173 177.067 177.300 -0.100 0.000 1.182 409 P CA 0.195 63.254 63.100 -0.069 0.000 0.761 409 P CB 0.252 31.920 31.700 -0.053 0.000 0.795 410 F N 4.065 123.882 119.950 -0.221 0.000 2.091 410 F HA -0.175 4.351 4.527 -0.000 0.000 0.299 410 F C 2.109 177.718 175.800 -0.319 0.000 1.103 410 F CA 2.558 60.388 58.000 -0.283 0.000 1.228 410 F CB -0.776 38.112 39.000 -0.188 0.000 0.984 410 F HN 0.390 nan 8.300 nan 0.000 0.477 411 G N -1.020 107.716 108.800 -0.107 0.000 2.744 411 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.211 411 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.211 411 G C 1.379 176.141 174.900 -0.230 0.000 1.143 411 G CA 0.702 45.683 45.100 -0.198 0.000 0.788 411 G HN 0.469 nan 8.290 nan 0.000 0.534 412 D N 0.457 120.726 120.400 -0.218 0.000 2.240 412 D HA 0.101 4.741 4.640 -0.000 0.000 0.206 412 D C 2.467 178.635 176.300 -0.220 0.000 0.963 412 D CA 0.846 54.743 54.000 -0.171 0.000 0.863 412 D CB 0.275 41.004 40.800 -0.119 0.000 0.973 412 D HN 0.240 nan 8.370 nan 0.000 0.501 413 A N 0.167 122.782 122.820 -0.342 0.000 1.924 413 A HA 0.130 4.450 4.320 -0.000 0.000 0.211 413 A C 1.273 178.557 177.584 -0.500 0.000 1.198 413 A CA 0.207 52.033 52.037 -0.351 0.000 0.657 413 A CB 0.034 18.759 19.000 -0.459 0.000 0.852 413 A HN 0.123 nan 8.150 nan 0.000 0.454 414 S N 1.864 117.043 115.700 -0.868 0.000 2.416 414 S HA 0.489 4.959 4.470 -0.000 0.000 0.287 414 S C -0.077 174.089 174.600 -0.724 0.000 1.139 414 S CA -0.415 57.008 58.200 -1.296 0.000 1.058 414 S CB 0.258 61.991 63.200 -2.444 0.000 0.967 414 S HN 0.392 nan 8.310 nan 0.000 0.495 415 R N 2.196 122.497 120.500 -0.331 0.000 2.854 415 R HA 0.532 4.872 4.340 -0.000 0.000 0.271 415 R C -0.801 175.587 176.300 0.146 0.000 0.994 415 R CA -0.707 55.354 56.100 -0.065 0.000 0.945 415 R CB 1.590 31.858 30.300 -0.054 0.000 1.194 415 R HN 0.516 nan 8.270 nan 0.000 0.476 416 M N 3.128 122.795 119.600 0.111 0.000 2.043 416 M HA 0.469 4.949 4.480 -0.000 0.000 0.322 416 M C -0.693 175.678 176.300 0.118 0.000 0.962 416 M CA -0.299 55.094 55.300 0.156 0.000 0.927 416 M CB 1.239 33.922 32.600 0.139 0.000 1.466 416 M HN 0.328 nan 8.290 nan 0.000 0.412 417 I N 4.677 125.329 120.570 0.137 0.000 2.382 417 I HA 0.434 4.603 4.170 -0.000 0.000 0.286 417 I C -1.259 174.926 176.117 0.113 0.000 1.002 417 I CA -0.755 60.606 61.300 0.102 0.000 1.135 417 I CB 1.549 39.602 38.000 0.088 0.000 1.288 417 I HN 0.448 nan 8.210 nan 0.000 0.448 418 L N 7.278 128.537 121.223 0.061 0.000 2.404 418 L HA 0.535 4.875 4.340 -0.000 0.000 0.272 418 L C 0.333 177.240 176.870 0.060 0.000 0.980 418 L CA -0.003 54.843 54.840 0.010 0.000 0.836 418 L CB 0.889 42.826 42.059 -0.204 0.000 1.238 418 L HN 0.598 nan 8.230 nan 0.000 0.408 419 N N 1.605 120.398 118.700 0.155 0.000 1.241 419 N HA -0.295 4.445 4.740 -0.000 0.000 0.135 419 N C 0.400 175.959 175.510 0.081 0.000 0.723 419 N CA 1.974 55.108 53.050 0.139 0.000 0.950 419 N CB -0.437 38.141 38.487 0.152 0.000 1.215 419 N HN 0.701 nan 8.380 nan 0.000 0.520 420 D N 0.962 121.398 120.400 0.061 0.000 2.339 420 D HA 0.128 4.768 4.640 -0.000 0.000 0.217 420 D C 0.031 176.350 176.300 0.031 0.000 1.050 420 D CA 0.285 54.310 54.000 0.041 0.000 0.856 420 D CB 0.373 41.192 40.800 0.033 0.000 0.922 420 D HN 0.106 nan 8.370 nan 0.000 0.518 421 V N 2.179 122.111 119.914 0.030 0.000 2.432 421 V HA 0.187 4.307 4.120 -0.000 0.000 0.275 421 V C 0.326 176.435 176.094 0.025 0.000 1.043 421 V CA -0.625 61.687 62.300 0.019 0.000 0.925 421 V CB 1.403 33.230 31.823 0.007 0.000 0.985 421 V HN 0.038 nan 8.190 nan 0.000 0.466 422 N N 4.513 123.224 118.700 0.019 0.000 2.576 422 N HA 0.448 5.187 4.740 -0.000 0.000 0.269 422 N C -1.063 174.452 175.510 0.007 0.000 1.058 422 N CA -0.207 52.854 53.050 0.018 0.000 0.860 422 N CB 2.002 40.497 38.487 0.014 0.000 1.249 422 N HN 0.550 nan 8.380 nan 0.000 0.525 423 V N 1.631 121.551 119.914 0.009 0.000 2.864 423 V HA 0.792 4.912 4.120 -0.000 0.000 0.314 423 V C -2.461 173.624 176.094 -0.015 0.000 1.073 423 V CA -2.232 60.066 62.300 -0.003 0.000 0.956 423 V CB 1.846 33.668 31.823 -0.001 0.000 1.023 423 V HN 0.402 nan 8.190 nan 0.000 0.435 424 P HA 0.270 nan 4.420 nan 0.000 0.268 424 P C 0.148 177.423 177.300 -0.042 0.000 1.205 424 P CA 0.601 63.669 63.100 -0.053 0.000 0.771 424 P CB 1.089 32.767 31.700 -0.036 0.000 0.858 425 G N 0.994 109.743 108.800 -0.085 0.000 2.511 425 G HA2 0.663 4.623 3.960 -0.000 0.000 0.316 425 G HA3 0.663 4.623 3.960 -0.000 0.000 0.316 425 G C -1.174 173.794 174.900 0.114 0.000 1.210 425 G CA -0.491 44.616 45.100 0.011 0.000 0.969 425 G HN 0.735 nan 8.290 nan 0.000 0.492 426 A N -1.388 121.579 122.820 0.245 0.000 2.610 426 A HA 1.000 5.319 4.320 -0.000 0.000 0.291 426 A C 0.153 178.032 177.584 0.491 0.000 1.086 426 A CA 0.434 52.704 52.037 0.388 0.000 0.677 426 A CB 0.808 19.968 19.000 0.266 0.000 1.278 426 A HN 2.829 nan 8.150 nan 0.000 0.414 427 A N -1.496 121.603 122.820 0.465 0.000 3.938 427 A HA 0.457 4.777 4.320 -0.000 0.000 0.617 427 A C 1.021 178.881 177.584 0.461 0.000 0.745 427 A CA 1.212 53.554 52.037 0.508 0.000 0.311 427 A CB -1.800 17.587 19.000 0.644 0.000 3.551 427 A HN 3.096 nan 8.150 nan 0.000 0.519 428 G N -1.587 107.296 108.800 0.138 0.000 2.791 428 G HA2 0.628 4.588 3.960 -0.000 0.000 0.158 428 G HA3 0.628 4.588 3.960 -0.000 0.000 0.158 428 G C -0.713 174.043 174.900 -0.240 0.000 1.193 428 G CA 0.011 45.064 45.100 -0.077 0.000 1.032 428 G HN 1.445 nan 8.290 nan 0.000 0.557 429 Y N 1.777 122.020 120.300 -0.095 0.000 2.632 429 Y HA 0.316 4.866 4.550 -0.000 0.000 0.329 429 Y C 1.832 177.734 175.900 0.003 0.000 1.174 429 Y CA 0.881 58.965 58.100 -0.027 0.000 1.469 429 Y CB 1.070 39.537 38.460 0.012 0.000 1.242 429 Y HN 0.527 nan 8.280 nan 0.000 0.540 430 G N 2.389 111.287 108.800 0.164 0.000 2.422 430 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 430 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 430 G C 1.400 176.416 174.900 0.193 0.000 1.146 430 G CA 0.619 45.803 45.100 0.139 0.000 0.769 430 G HN 0.567 nan 8.290 nan 0.000 0.547 431 N N 0.197 119.034 118.700 0.227 0.000 2.520 431 N HA 0.039 4.779 4.740 -0.000 0.000 0.185 431 N C 1.804 177.446 175.510 0.220 0.000 1.068 431 N CA 0.336 53.525 53.050 0.233 0.000 0.911 431 N CB -0.025 38.642 38.487 0.299 0.000 0.961 431 N HN 0.317 nan 8.380 nan 0.000 0.446 432 L N -1.551 119.782 121.223 0.184 0.000 2.592 432 L HA 0.241 4.581 4.340 -0.000 0.000 0.227 432 L C 1.278 178.350 176.870 0.336 0.000 1.127 432 L CA 0.282 55.272 54.840 0.249 0.000 0.884 432 L CB 0.143 42.361 42.059 0.266 0.000 1.065 432 L HN 0.215 nan 8.230 nan 0.000 0.457 433 G N -0.806 108.167 108.800 0.289 0.000 2.231 433 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.206 433 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.206 433 G C 0.409 175.487 174.900 0.297 0.000 0.996 433 G CA 0.118 45.378 45.100 0.266 0.000 0.645 433 G HN 0.197 nan 8.290 nan 0.000 0.498 434 S N 0.114 116.024 115.700 0.349 0.000 2.525 434 S HA 0.443 4.913 4.470 -0.000 0.000 0.285 434 S C 1.119 175.872 174.600 0.256 0.000 1.283 434 S CA 0.259 58.668 58.200 0.348 0.000 1.072 434 S CB 0.219 63.606 63.200 0.311 0.000 0.867 434 S HN 0.600 nan 8.310 nan 0.000 0.492 435 F N 5.347 125.371 119.950 0.124 0.000 2.149 435 F HA 0.238 4.764 4.527 -0.000 0.000 0.294 435 F C 1.458 177.263 175.800 0.009 0.000 1.095 435 F CA 0.842 58.872 58.000 0.050 0.000 1.276 435 F CB -0.017 38.995 39.000 0.021 0.000 1.023 435 F HN 0.521 nan 8.300 nan 0.000 0.480 436 R N 1.370 121.920 120.500 0.084 0.000 2.347 436 R HA 0.378 4.718 4.340 -0.000 0.000 0.304 436 R C -1.458 174.744 176.300 -0.163 0.000 1.072 436 R CA -0.147 55.920 56.100 -0.055 0.000 0.980 436 R CB 0.596 30.972 30.300 0.127 0.000 0.986 436 R HN 0.022 nan 8.270 nan 0.000 0.448 437 V N 6.019 125.620 119.914 -0.521 0.000 2.513 437 V HA 0.487 4.607 4.120 -0.000 0.000 0.299 437 V C -0.874 174.551 176.094 -1.114 0.000 1.035 437 V CA -0.516 61.363 62.300 -0.701 0.000 0.889 437 V CB 1.598 32.864 31.823 -0.928 0.000 0.988 437 V HN 0.621 nan 8.190 nan 0.000 0.440 438 F N 1.257 120.849 119.950 -0.596 0.000 2.828 438 F HA 0.324 4.851 4.527 -0.000 0.000 0.355 438 F C 0.453 175.543 175.800 -1.183 0.000 1.200 438 F CA -0.458 56.957 58.000 -0.975 0.000 1.062 438 F CB 1.899 40.153 39.000 -1.242 0.000 1.351 438 F HN 0.321 nan 8.300 nan 0.000 0.504 439 T N 2.530 116.663 114.554 -0.701 0.000 2.992 439 T HA 0.080 4.430 4.350 -0.000 0.000 0.299 439 T C -0.243 174.171 174.700 -0.477 0.000 1.027 439 T CA -0.297 61.519 62.100 -0.473 0.000 1.001 439 T CB -0.420 68.426 68.868 -0.036 0.000 1.005 439 T HN 0.308 nan 8.240 nan 0.000 0.599 440 W N 2.978 124.043 121.300 -0.392 0.000 2.181 440 W HA 0.305 4.964 4.660 -0.000 0.000 0.335 440 W C 1.297 177.836 176.519 0.032 0.000 1.310 440 W CA -0.838 56.394 57.345 -0.188 0.000 1.226 440 W CB 0.283 29.613 29.460 -0.218 0.000 1.155 440 W HN 0.564 nan 8.180 nan 0.000 0.565 441 S N 1.274 117.126 115.700 0.254 0.000 2.640 441 S HA 0.208 4.678 4.470 -0.000 0.000 0.262 441 S C -0.101 174.619 174.600 0.200 0.000 1.232 441 S CA -0.957 57.351 58.200 0.181 0.000 0.988 441 S CB 0.613 63.880 63.200 0.111 0.000 1.034 441 S HN 0.410 nan 8.310 nan 0.000 0.569 442 D N 2.662 123.137 120.400 0.125 0.000 2.372 442 D HA 0.359 4.999 4.640 -0.000 0.000 0.243 442 D C -1.927 174.410 176.300 0.062 0.000 1.121 442 D CA -0.988 53.063 54.000 0.085 0.000 0.898 442 D CB 0.267 41.086 40.800 0.032 0.000 1.202 442 D HN 0.423 nan 8.370 nan 0.000 0.428 443 P HA 0.064 nan 4.420 nan 0.000 0.274 443 P C -0.377 176.907 177.300 -0.027 0.000 1.237 443 P CA -0.412 62.688 63.100 0.000 0.000 0.793 443 P CB 0.854 32.498 31.700 -0.095 0.000 0.977 444 D N 0.215 120.608 120.400 -0.012 0.000 2.511 444 D HA 0.038 4.678 4.640 -0.000 0.000 0.276 444 D C 1.164 177.444 176.300 -0.033 0.000 1.220 444 D CA -0.298 53.693 54.000 -0.015 0.000 1.077 444 D CB -0.113 40.687 40.800 0.001 0.000 1.126 444 D HN 0.200 nan 8.370 nan 0.000 0.583 445 E N -0.344 119.841 120.200 -0.025 0.000 2.187 445 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 445 E C 0.848 177.430 176.600 -0.030 0.000 1.004 445 E CA 1.119 57.501 56.400 -0.030 0.000 0.813 445 E CB -0.368 29.321 29.700 -0.019 0.000 0.736 445 E HN 0.487 nan 8.360 nan 0.000 0.468 446 N N -0.450 118.238 118.700 -0.019 0.000 2.268 446 N HA 0.084 4.824 4.740 -0.000 0.000 0.204 446 N C 0.780 176.293 175.510 0.005 0.000 1.124 446 N CA 0.704 53.749 53.050 -0.009 0.000 0.838 446 N CB 1.256 39.740 38.487 -0.005 0.000 0.994 446 N HN 0.225 nan 8.380 nan 0.000 0.489 447 G N 0.642 109.439 108.800 -0.007 0.000 2.147 447 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 447 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 447 G C -0.115 174.855 174.900 0.115 0.000 1.005 447 G CA 0.008 45.146 45.100 0.062 0.000 0.713 447 G HN 0.198 nan 8.290 nan 0.000 0.515 448 V N 2.246 122.180 119.914 0.033 0.000 2.407 448 V HA 0.713 4.833 4.120 -0.000 0.000 0.278 448 V C 0.780 176.881 176.094 0.012 0.000 1.037 448 V CA -0.238 62.060 62.300 -0.003 0.000 0.900 448 V CB 1.385 33.200 31.823 -0.012 0.000 0.983 448 V HN 0.677 nan 8.190 nan 0.000 0.459 449 R N 2.808 123.294 120.500 -0.023 0.000 2.854 449 R HA 0.873 5.212 4.340 -0.000 0.000 0.271 449 R C -0.822 175.547 176.300 0.116 0.000 0.994 449 R CA -0.517 55.612 56.100 0.050 0.000 0.945 449 R CB 2.319 32.655 30.300 0.060 0.000 1.194 449 R HN 0.660 nan 8.270 nan 0.000 0.476 450 T N -1.787 112.907 114.554 0.233 0.000 2.865 450 T HA 0.537 4.887 4.350 -0.000 0.000 0.294 450 T C -2.958 171.819 174.700 0.128 0.000 1.119 450 T CA -2.336 59.929 62.100 0.274 0.000 1.007 450 T CB 2.061 71.014 68.868 0.141 0.000 1.225 450 T HN 0.368 nan 8.240 nan 0.000 0.515 451 P HA 0.334 nan 4.420 nan 0.000 0.271 451 P C 0.213 177.130 177.300 -0.638 0.000 1.216 451 P CA -0.341 62.267 63.100 -0.821 0.000 0.771 451 P CB 0.904 31.695 31.700 -1.515 0.000 0.864 452 V N 1.783 121.412 119.914 -0.476 0.000 3.523 452 V HA 0.120 4.240 4.120 -0.000 0.000 0.255 452 V C 0.535 176.525 176.094 -0.174 0.000 1.226 452 V CA 0.941 63.121 62.300 -0.201 0.000 1.092 452 V CB -0.456 31.337 31.823 -0.049 0.000 0.817 452 V HN 0.692 nan 8.190 nan 0.000 0.458 453 H N -1.218 117.523 119.070 -0.548 0.000 3.037 453 H HA 0.567 5.123 4.556 -0.000 0.000 0.336 453 H C -0.337 174.685 175.328 -0.510 0.000 1.323 453 H CA 0.384 56.228 56.048 -0.340 0.000 1.159 453 H CB 1.673 31.369 29.762 -0.111 0.000 1.882 453 H HN 0.237 nan 8.280 nan 0.000 0.535 454 G N 1.991 110.272 108.800 -0.867 0.000 2.292 454 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.194 454 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.194 454 G C -1.209 173.450 174.900 -0.401 0.000 1.329 454 G CA -0.491 44.087 45.100 -0.870 0.000 1.100 454 G HN 0.550 nan 8.290 nan 0.000 0.470 455 E N 1.524 121.386 120.200 -0.564 0.000 2.558 455 E HA 0.275 4.625 4.350 -0.000 0.000 0.255 455 E C 1.117 177.682 176.600 -0.059 0.000 0.968 455 E CA 1.176 57.410 56.400 -0.278 0.000 0.939 455 E CB 1.041 30.461 29.700 -0.466 0.000 0.921 455 E HN 0.818 nan 8.360 nan 0.000 0.477 456 T N -0.331 114.125 114.554 -0.162 0.000 3.216 456 T HA 0.079 4.428 4.350 -0.000 0.000 0.167 456 T C 0.325 174.846 174.700 -0.297 0.000 0.905 456 T CA -0.655 61.232 62.100 -0.355 0.000 1.042 456 T CB 0.005 68.829 68.868 -0.072 0.000 1.787 456 T HN 0.595 nan 8.240 nan 0.000 0.355 457 W N 3.067 124.097 121.300 -0.451 0.000 2.322 457 W HA 0.597 5.257 4.660 -0.000 0.000 0.307 457 W C -1.939 174.378 176.519 -0.337 0.000 1.220 457 W CA -0.747 56.343 57.345 -0.424 0.000 1.210 457 W CB 1.041 30.119 29.460 -0.638 0.000 1.223 457 W HN 0.261 nan 8.180 nan 0.000 0.511 458 V N 6.082 125.446 119.914 -0.917 0.000 2.525 458 V HA 0.716 4.835 4.120 -0.000 0.000 0.299 458 V C -0.257 175.261 176.094 -0.961 0.000 1.034 458 V CA -0.723 61.130 62.300 -0.745 0.000 0.863 458 V CB 0.915 32.586 31.823 -0.252 0.000 0.999 458 V HN 0.669 nan 8.190 nan 0.000 0.423 459 A N 6.747 129.088 122.820 -0.799 0.000 2.488 459 A HA 0.966 5.286 4.320 -0.000 0.000 0.298 459 A C -0.893 176.512 177.584 -0.298 0.000 1.044 459 A CA -0.661 51.039 52.037 -0.562 0.000 0.693 459 A CB 2.063 20.763 19.000 -0.500 0.000 1.272 459 A HN 0.780 nan 8.150 nan 0.000 0.402 460 M N 2.285 121.736 119.600 -0.248 0.000 2.197 460 M HA 0.667 5.147 4.480 -0.000 0.000 0.301 460 M C -1.688 174.489 176.300 -0.204 0.000 0.987 460 M CA -0.391 54.860 55.300 -0.080 0.000 0.921 460 M CB 0.674 33.285 32.600 0.018 0.000 1.569 460 M HN 0.362 nan 8.290 nan 0.000 0.431 461 I N 1.968 122.359 120.570 -0.299 0.000 2.474 461 I HA 0.414 4.584 4.170 -0.000 0.000 0.294 461 I C -0.148 175.654 176.117 -0.525 0.000 1.005 461 I CA -0.335 60.607 61.300 -0.597 0.000 1.113 461 I CB 2.116 39.471 38.000 -1.076 0.000 1.289 461 I HN 0.783 nan 8.210 nan 0.000 0.436 462 E N 5.120 125.011 120.200 -0.515 0.000 2.145 462 E HA 0.372 4.722 4.350 -0.000 0.000 0.270 462 E C -1.163 175.169 176.600 -0.446 0.000 0.906 462 E CA -0.500 55.682 56.400 -0.364 0.000 0.761 462 E CB 0.684 30.253 29.700 -0.218 0.000 1.116 462 E HN 0.446 nan 8.360 nan 0.000 0.408 463 F N 3.971 123.832 119.950 -0.149 0.000 2.705 463 F HA 0.109 4.636 4.527 -0.000 0.000 0.355 463 F C 0.724 176.478 175.800 -0.076 0.000 1.172 463 F CA -0.230 57.707 58.000 -0.106 0.000 1.332 463 F CB -0.216 38.719 39.000 -0.107 0.000 1.621 463 F HN 0.306 nan 8.300 nan 0.000 0.605 464 S N -1.316 114.374 115.700 -0.017 0.000 2.646 464 S HA 0.587 5.057 4.470 -0.000 0.000 0.273 464 S C 0.122 174.727 174.600 0.008 0.000 1.168 464 S CA -0.779 57.417 58.200 -0.007 0.000 1.013 464 S CB 1.194 64.370 63.200 -0.041 0.000 1.098 464 S HN 0.146 nan 8.310 nan 0.000 0.544 465 T N 2.728 117.286 114.554 0.007 0.000 2.892 465 T HA 0.540 4.890 4.350 -0.000 0.000 0.311 465 T C -2.216 172.485 174.700 0.002 0.000 1.033 465 T CA -0.812 61.297 62.100 0.015 0.000 0.991 465 T CB 0.874 69.757 68.868 0.025 0.000 0.981 465 T HN 0.671 nan 8.240 nan 0.000 0.457 466 P HA 0.443 nan 4.420 nan 0.000 0.276 466 P C 0.228 177.505 177.300 -0.039 0.000 1.252 466 P CA -0.646 62.451 63.100 -0.006 0.000 0.802 466 P CB 0.615 32.310 31.700 -0.007 0.000 1.035 467 V N -0.795 119.087 119.914 -0.053 0.000 3.139 467 V HA 0.266 4.385 4.120 -0.000 0.000 0.307 467 V C 0.296 176.280 176.094 -0.183 0.000 1.095 467 V CA -0.316 61.892 62.300 -0.154 0.000 1.160 467 V CB -0.079 31.610 31.823 -0.224 0.000 1.003 467 V HN 0.704 nan 8.190 nan 0.000 0.489 468 R N 2.269 122.616 120.500 -0.256 0.000 2.476 468 R HA 0.756 5.096 4.340 -0.000 0.000 0.305 468 R C -0.797 175.296 176.300 -0.345 0.000 0.965 468 R CA 0.150 56.101 56.100 -0.248 0.000 0.867 468 R CB 1.616 31.837 30.300 -0.133 0.000 1.176 468 R HN 1.290 nan 8.270 nan 0.000 0.447 469 A N 3.670 126.226 122.820 -0.440 0.000 2.449 469 A HA 0.663 4.983 4.320 -0.000 0.000 0.302 469 A C -1.927 175.333 177.584 -0.541 0.000 1.048 469 A CA -0.526 51.238 52.037 -0.456 0.000 0.708 469 A CB 1.117 19.785 19.000 -0.552 0.000 1.274 469 A HN 0.655 nan 8.150 nan 0.000 0.410 470 Y N 0.064 120.234 120.300 -0.218 0.000 2.499 470 Y HA 0.729 5.279 4.550 -0.000 0.000 0.347 470 Y C 0.769 176.577 175.900 -0.153 0.000 0.987 470 Y CA 0.133 58.152 58.100 -0.135 0.000 1.044 470 Y CB 2.920 41.287 38.460 -0.156 0.000 1.245 470 Y HN 1.118 nan 8.280 nan 0.000 0.461 471 G N 1.214 110.104 108.800 0.150 0.000 2.645 471 G HA2 0.713 4.673 3.960 -0.000 0.000 0.292 471 G HA3 0.713 4.673 3.960 -0.000 0.000 0.292 471 G C -2.593 172.386 174.900 0.132 0.000 1.415 471 G CA -0.737 44.361 45.100 -0.004 0.000 0.785 471 G HN 0.413 nan 8.290 nan 0.000 0.483 472 L N -0.801 120.366 121.223 -0.094 0.000 2.612 472 L HA 0.807 5.147 4.340 -0.000 0.000 0.256 472 L C -1.356 175.471 176.870 -0.071 0.000 0.949 472 L CA -0.555 54.248 54.840 -0.062 0.000 0.867 472 L CB 2.330 44.263 42.059 -0.209 0.000 1.417 472 L HN 0.728 nan 8.230 nan 0.000 0.414 473 M N 1.563 121.155 119.600 -0.014 0.000 2.053 473 M HA 0.430 4.910 4.480 -0.000 0.000 0.297 473 M C 0.638 176.760 176.300 -0.296 0.000 0.921 473 M CA 0.207 55.462 55.300 -0.074 0.000 0.918 473 M CB 1.539 34.196 32.600 0.095 0.000 1.499 473 M HN 0.587 nan 8.290 nan 0.000 0.422 474 S N 3.120 118.513 115.700 -0.511 0.000 2.393 474 S HA -0.223 4.246 4.470 -0.000 0.000 0.235 474 S C 0.788 175.026 174.600 -0.603 0.000 1.061 474 S CA 2.532 60.362 58.200 -0.616 0.000 1.129 474 S CB -0.649 61.956 63.200 -0.991 0.000 1.011 474 S HN 0.818 nan 8.310 nan 0.000 0.436 475 Y N 1.272 121.260 120.300 -0.521 0.000 2.718 475 Y HA 0.588 5.138 4.550 -0.000 0.000 0.322 475 Y C 0.971 176.768 175.900 -0.172 0.000 1.122 475 Y CA -1.175 56.663 58.100 -0.437 0.000 1.348 475 Y CB -1.191 37.023 38.460 -0.410 0.000 1.174 475 Y HN 0.311 nan 8.280 nan 0.000 0.523 476 G N 1.514 110.352 108.800 0.063 0.000 2.804 476 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.230 476 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.230 476 G C 0.027 175.091 174.900 0.274 0.000 1.386 476 G CA 0.141 45.344 45.100 0.171 0.000 0.875 476 G HN 0.479 nan 8.290 nan 0.000 0.557 477 N N -0.519 118.329 118.700 0.247 0.000 2.203 477 N HA 0.407 5.147 4.740 -0.000 0.000 0.207 477 N C 0.097 175.813 175.510 0.344 0.000 1.130 477 N CA 1.087 54.295 53.050 0.264 0.000 0.861 477 N CB 0.473 39.017 38.487 0.094 0.000 1.005 477 N HN 0.826 nan 8.380 nan 0.000 0.507 478 S N -0.899 114.981 115.700 0.300 0.000 2.536 478 S HA 0.471 4.941 4.470 -0.000 0.000 0.271 478 S C -0.311 174.379 174.600 0.149 0.000 1.134 478 S CA -0.645 57.678 58.200 0.205 0.000 0.897 478 S CB 1.284 64.612 63.200 0.213 0.000 1.094 478 S HN 0.212 nan 8.310 nan 0.000 0.473 479 R N 1.430 121.927 120.500 -0.005 0.000 2.572 479 R HA 0.258 4.598 4.340 -0.000 0.000 0.370 479 R C -0.297 175.893 176.300 -0.183 0.000 1.005 479 R CA -0.276 55.722 56.100 -0.170 0.000 1.146 479 R CB 0.289 30.470 30.300 -0.198 0.000 1.390 479 R HN 0.556 nan 8.270 nan 0.000 0.553 480 Q N 1.358 121.098 119.800 -0.100 0.000 2.392 480 Q HA 0.146 4.486 4.340 -0.000 0.000 0.262 480 Q C -2.310 173.634 176.000 -0.093 0.000 1.003 480 Q CA -1.758 53.991 55.803 -0.089 0.000 0.888 480 Q CB 0.633 29.340 28.738 -0.052 0.000 1.260 480 Q HN 0.040 nan 8.270 nan 0.000 0.435 481 P HA -0.024 nan 4.420 nan 0.000 0.260 481 P C 0.336 177.606 177.300 -0.049 0.000 1.185 481 P CA 1.098 64.152 63.100 -0.076 0.000 0.763 481 P CB 0.198 31.861 31.700 -0.061 0.000 0.776 482 G N 1.710 110.483 108.800 -0.045 0.000 2.143 482 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.248 482 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.248 482 G C 0.484 175.375 174.900 -0.015 0.000 0.991 482 G CA 0.240 45.326 45.100 -0.023 0.000 0.689 482 G HN 0.747 nan 8.290 nan 0.000 0.522 483 T N -0.194 114.354 114.554 -0.010 0.000 2.899 483 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 483 T C 1.915 176.604 174.700 -0.017 0.000 1.033 483 T CA 1.237 63.340 62.100 0.005 0.000 1.084 483 T CB 0.704 69.606 68.868 0.058 0.000 0.979 483 T HN 0.875 nan 8.240 nan 0.000 0.532 484 T N 0.392 114.862 114.554 -0.141 0.000 3.086 484 T HA 0.167 4.517 4.350 -0.000 0.000 0.250 484 T C 0.612 175.122 174.700 -0.317 0.000 1.074 484 T CA 0.076 62.034 62.100 -0.237 0.000 0.988 484 T CB -0.161 68.500 68.868 -0.345 0.000 0.988 484 T HN 0.706 nan 8.240 nan 0.000 0.530 485 H N 0.023 119.163 119.070 0.117 0.000 2.490 485 H HA 0.312 4.868 4.556 -0.000 0.000 0.285 485 H C -0.091 175.356 175.328 0.198 0.000 1.127 485 H CA -0.658 55.468 56.048 0.130 0.000 0.993 485 H CB 0.142 29.974 29.762 0.117 0.000 1.653 485 H HN 0.393 nan 8.280 nan 0.000 0.557 486 Y N 1.546 121.914 120.300 0.113 0.000 2.506 486 Y HA 0.023 4.573 4.550 -0.000 0.000 0.287 486 Y C 1.873 177.825 175.900 0.087 0.000 1.147 486 Y CA 0.957 59.116 58.100 0.098 0.000 1.241 486 Y CB 0.499 38.994 38.460 0.059 0.000 1.279 486 Y HN 0.106 nan 8.280 nan 0.000 0.527 487 S N -0.417 115.264 115.700 -0.031 0.000 2.575 487 S HA 0.083 4.552 4.470 -0.000 0.000 0.237 487 S C 0.567 175.146 174.600 -0.036 0.000 0.975 487 S CA 0.081 58.202 58.200 -0.131 0.000 0.960 487 S CB -0.424 62.736 63.200 -0.067 0.000 0.822 487 S HN 0.561 nan 8.310 nan 0.000 0.472 488 D N 0.994 121.407 120.400 0.022 0.000 2.319 488 D HA 0.025 4.664 4.640 -0.000 0.000 0.230 488 D C 1.052 177.370 176.300 0.030 0.000 1.094 488 D CA 0.118 54.145 54.000 0.044 0.000 0.856 488 D CB -0.056 40.805 40.800 0.102 0.000 0.915 488 D HN 0.544 nan 8.370 nan 0.000 0.517 489 Q N -0.811 118.982 119.800 -0.011 0.000 2.210 489 Q HA 0.186 4.526 4.340 -0.000 0.000 0.252 489 Q C 1.515 177.474 176.000 -0.069 0.000 0.811 489 Q CA -0.332 55.451 55.803 -0.033 0.000 0.953 489 Q CB 0.543 29.260 28.738 -0.035 0.000 1.136 489 Q HN 0.074 nan 8.270 nan 0.000 0.491 490 I N 1.942 122.467 120.570 -0.075 0.000 2.454 490 I HA -0.237 3.933 4.170 -0.000 0.000 0.254 490 I C 2.170 178.266 176.117 -0.035 0.000 1.156 490 I CA 1.515 62.780 61.300 -0.058 0.000 1.433 490 I CB 0.064 38.035 38.000 -0.048 0.000 1.082 490 I HN 0.172 nan 8.210 nan 0.000 0.432 491 E N 0.342 120.522 120.200 -0.033 0.000 2.072 491 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 491 E C 2.411 178.984 176.600 -0.045 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 0.477 nan 8.360 nan 0.000 0.452 492 R N -0.014 120.448 120.500 -0.062 0.000 2.096 492 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 492 R C 2.489 178.691 176.300 -0.163 0.000 1.127 492 R CA 1.058 57.097 56.100 -0.101 0.000 0.968 492 R CB -0.199 30.038 30.300 -0.105 0.000 0.861 492 R HN 0.040 nan 8.270 nan 0.000 0.440 493 V N 0.040 119.866 119.914 -0.147 0.000 2.287 493 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 493 V C 2.301 178.348 176.094 -0.078 0.000 1.053 493 V CA 2.142 64.358 62.300 -0.139 0.000 1.027 493 V CB -0.516 31.288 31.823 -0.032 0.000 0.646 493 V HN 0.374 nan 8.190 nan 0.000 0.447 494 S N -0.351 115.318 115.700 -0.051 0.000 2.400 494 S HA -0.193 4.276 4.470 -0.000 0.000 0.232 494 S C 1.843 176.429 174.600 -0.024 0.000 1.025 494 S CA 1.525 59.704 58.200 -0.035 0.000 0.993 494 S CB -0.213 62.973 63.200 -0.024 0.000 0.808 494 S HN 0.646 nan 8.310 nan 0.000 0.478 495 R N 0.228 120.702 120.500 -0.044 0.000 2.393 495 R HA 0.438 4.778 4.340 -0.000 0.000 0.244 495 R C 0.818 177.088 176.300 -0.049 0.000 0.920 495 R CA 0.493 56.575 56.100 -0.030 0.000 1.076 495 R CB 0.047 30.331 30.300 -0.026 0.000 1.119 495 R HN 0.330 nan 8.270 nan 0.000 0.524 496 A N 2.358 125.112 122.820 -0.110 0.000 2.745 496 A HA -0.212 4.107 4.320 -0.000 0.000 0.296 496 A C -0.331 177.136 177.584 -0.196 0.000 1.500 496 A CA 1.215 53.142 52.037 -0.183 0.000 0.766 496 A CB -1.654 17.364 19.000 0.030 0.000 1.030 496 A HN 0.443 nan 8.150 nan 0.000 0.489 497 D N -0.310 119.937 120.400 -0.255 0.000 2.485 497 D HA 0.573 5.213 4.640 -0.000 0.000 0.229 497 D C -0.109 176.090 176.300 -0.168 0.000 1.101 497 D CA -0.316 53.616 54.000 -0.113 0.000 0.906 497 D CB -0.159 40.610 40.800 -0.053 0.000 1.019 497 D HN 0.223 nan 8.370 nan 0.000 0.516 498 F N 1.959 121.906 119.950 -0.006 0.000 2.459 498 F HA 0.352 4.879 4.527 -0.000 0.000 0.346 498 F C 1.556 177.434 175.800 0.131 0.000 1.128 498 F CA -0.309 57.713 58.000 0.038 0.000 1.268 498 F CB 0.704 39.720 39.000 0.026 0.000 1.161 498 F HN 0.022 nan 8.300 nan 0.000 0.583 499 R N 1.012 121.681 120.500 0.283 0.000 2.459 499 R HA 0.232 4.572 4.340 -0.000 0.000 0.281 499 R C -0.317 176.108 176.300 0.207 0.000 1.050 499 R CA -0.781 55.443 56.100 0.207 0.000 1.055 499 R CB 0.675 31.054 30.300 0.132 0.000 1.045 499 R HN 0.612 nan 8.270 nan 0.000 0.495 500 E N 2.782 123.018 120.200 0.060 0.000 2.289 500 E HA 0.083 4.433 4.350 -0.000 0.000 0.278 500 E C -0.735 175.745 176.600 -0.200 0.000 1.032 500 E CA -0.406 55.810 56.400 -0.306 0.000 0.854 500 E CB 0.668 30.173 29.700 -0.325 0.000 1.046 500 E HN 0.357 nan 8.360 nan 0.000 0.409 501 L N 5.107 126.162 121.223 -0.279 0.000 2.313 501 L HA 0.130 4.470 4.340 -0.000 0.000 0.282 501 L C -0.484 176.201 176.870 -0.308 0.000 1.092 501 L CA -0.757 53.938 54.840 -0.240 0.000 0.831 501 L CB 0.326 42.218 42.059 -0.278 0.000 1.159 501 L HN 0.429 nan 8.230 nan 0.000 0.442 502 L N 5.563 126.668 121.223 -0.196 0.000 2.295 502 L HA 0.133 4.472 4.340 -0.000 0.000 0.288 502 L C 0.596 177.373 176.870 -0.156 0.000 1.079 502 L CA 0.414 55.181 54.840 -0.122 0.000 0.830 502 L CB 0.857 42.920 42.059 0.006 0.000 1.200 502 L HN 0.589 nan 8.230 nan 0.000 0.438 503 L N 2.373 123.485 121.223 -0.185 0.000 2.500 503 L HA 0.270 4.610 4.340 -0.000 0.000 0.219 503 L C 1.180 178.107 176.870 0.095 0.000 1.057 503 L CA 0.475 55.221 54.840 -0.156 0.000 0.854 503 L CB -0.100 41.840 42.059 -0.197 0.000 1.078 503 L HN 0.460 nan 8.230 nan 0.000 0.480 504 R N 0.051 120.577 120.500 0.042 0.000 2.389 504 R HA 0.091 4.431 4.340 -0.000 0.000 0.295 504 R C 1.165 177.511 176.300 0.076 0.000 1.075 504 R CA -0.349 55.787 56.100 0.060 0.000 1.005 504 R CB 1.016 31.329 30.300 0.022 0.000 0.987 504 R HN -0.092 nan 8.270 nan 0.000 0.452 505 R N 3.211 123.755 120.500 0.073 0.000 2.119 505 R HA -0.231 4.108 4.340 -0.000 0.000 0.246 505 R C 1.665 177.991 176.300 0.042 0.000 1.146 505 R CA 2.389 58.523 56.100 0.057 0.000 0.962 505 R CB -0.213 30.107 30.300 0.034 0.000 0.863 505 R HN 0.763 nan 8.270 nan 0.000 0.442 506 E N 0.451 120.671 120.200 0.032 0.000 2.150 506 E HA -0.226 4.123 4.350 -0.000 0.000 0.193 506 E C 1.693 178.309 176.600 0.025 0.000 0.985 506 E CA 1.357 57.772 56.400 0.024 0.000 0.814 506 E CB -0.394 29.317 29.700 0.018 0.000 0.752 506 E HN 0.637 nan 8.360 nan 0.000 0.466 507 Q N 0.746 120.561 119.800 0.026 0.000 2.083 507 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 507 Q C 2.550 178.572 176.000 0.037 0.000 0.969 507 Q CA 1.498 57.314 55.803 0.022 0.000 0.838 507 Q CB 0.000 28.741 28.738 0.005 0.000 0.900 507 Q HN 0.147 nan 8.270 nan 0.000 0.436 508 V N 1.454 121.403 119.914 0.058 0.000 2.295 508 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 508 V C 1.915 178.041 176.094 0.053 0.000 1.049 508 V CA 2.002 64.346 62.300 0.074 0.000 1.024 508 V CB -0.522 31.364 31.823 0.105 0.000 0.648 508 V HN 0.357 nan 8.190 nan 0.000 0.447 509 E N 0.173 120.398 120.200 0.042 0.000 2.153 509 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 509 E C 2.159 178.777 176.600 0.031 0.000 0.988 509 E CA 1.242 57.662 56.400 0.033 0.000 0.811 509 E CB -0.284 29.431 29.700 0.026 0.000 0.746 509 E HN 0.611 nan 8.360 nan 0.000 0.466 510 A N 0.433 123.271 122.820 0.030 0.000 2.167 510 A HA 0.163 4.483 4.320 -0.000 0.000 0.214 510 A C 1.918 179.521 177.584 0.032 0.000 1.151 510 A CA 1.102 53.155 52.037 0.028 0.000 0.735 510 A CB 0.102 19.116 19.000 0.024 0.000 0.802 510 A HN 0.227 nan 8.150 nan 0.000 0.467 511 A N -0.769 122.073 122.820 0.037 0.000 2.469 511 A HA 0.501 4.821 4.320 -0.000 0.000 0.245 511 A C 0.476 178.087 177.584 0.044 0.000 1.221 511 A CA -0.081 51.981 52.037 0.041 0.000 0.946 511 A CB -0.012 19.015 19.000 0.044 0.000 1.049 511 A HN 0.198 nan 8.150 nan 0.000 0.529 512 V N 1.187 121.127 119.914 0.042 0.000 2.694 512 V HA 0.003 4.122 4.120 -0.000 0.000 0.306 512 V C 0.945 177.066 176.094 0.045 0.000 1.054 512 V CA 0.505 62.831 62.300 0.043 0.000 1.161 512 V CB 0.648 32.494 31.823 0.039 0.000 0.916 512 V HN 0.575 nan 8.190 nan 0.000 0.490 513 Q N 2.006 121.836 119.800 0.049 0.000 2.404 513 Q HA 0.296 4.636 4.340 -0.000 0.000 0.262 513 Q C 0.115 176.149 176.000 0.056 0.000 0.846 513 Q CA 0.430 56.267 55.803 0.056 0.000 0.978 513 Q CB 1.356 30.138 28.738 0.074 0.000 1.156 513 Q HN 0.879 nan 8.270 nan 0.000 0.548 514 E N 0.651 120.884 120.200 0.055 0.000 2.314 514 E HA 0.528 4.878 4.350 -0.000 0.000 0.272 514 E C -0.962 175.668 176.600 0.051 0.000 0.884 514 E CA -0.442 55.991 56.400 0.054 0.000 0.753 514 E CB 2.333 32.070 29.700 0.062 0.000 1.213 514 E HN -0.105 nan 8.360 nan 0.000 0.432 515 R N 1.013 121.543 120.500 0.051 0.000 2.476 515 R HA 0.429 4.769 4.340 -0.000 0.000 0.305 515 R C -1.104 175.236 176.300 0.066 0.000 0.965 515 R CA -0.533 55.600 56.100 0.054 0.000 0.867 515 R CB 2.032 32.358 30.300 0.042 0.000 1.176 515 R HN 0.313 nan 8.270 nan 0.000 0.447 516 T N 4.746 119.355 114.554 0.091 0.000 3.060 516 T HA 0.266 4.616 4.350 -0.000 0.000 0.367 516 T C -2.018 172.796 174.700 0.189 0.000 1.229 516 T CA -1.240 60.931 62.100 0.120 0.000 1.104 516 T CB 0.869 69.804 68.868 0.111 0.000 1.083 516 T HN 0.401 nan 8.240 nan 0.000 0.524 517 P HA 0.549 nan 4.420 nan 0.000 0.275 517 P C -0.939 176.476 177.300 0.191 0.000 1.228 517 P CA -0.505 62.647 63.100 0.087 0.000 0.786 517 P CB 0.657 32.368 31.700 0.019 0.000 0.927 518 F N -1.427 118.537 119.950 0.024 0.000 2.613 518 F HA 0.521 5.047 4.527 -0.000 0.000 0.310 518 F C -1.215 174.620 175.800 0.057 0.000 1.085 518 F CA -1.201 56.822 58.000 0.038 0.000 0.945 518 F CB 1.697 40.718 39.000 0.036 0.000 1.298 518 F HN 0.291 nan 8.300 nan 0.000 0.455 519 N N 2.085 120.933 118.700 0.246 0.000 2.443 519 N HA 0.392 5.132 4.740 -0.000 0.000 0.269 519 N C -2.005 173.698 175.510 0.323 0.000 0.985 519 N CA -0.578 52.568 53.050 0.159 0.000 0.921 519 N CB 1.088 39.623 38.487 0.080 0.000 1.195 519 N HN 0.648 nan 8.380 nan 0.000 0.492 520 F N 3.746 123.796 119.950 0.167 0.000 2.404 520 F HA 0.433 4.960 4.527 -0.000 0.000 0.354 520 F C -0.608 175.240 175.800 0.080 0.000 1.122 520 F CA -1.031 57.068 58.000 0.164 0.000 1.080 520 F CB 0.777 39.909 39.000 0.220 0.000 1.131 520 F HN 0.272 nan 8.300 nan 0.000 0.471 521 K N 8.103 128.276 120.400 -0.379 0.000 2.220 521 K HA 0.309 4.629 4.320 -0.000 0.000 0.283 521 K C -2.107 173.931 176.600 -0.937 0.000 1.098 521 K CA -1.417 54.587 56.287 -0.470 0.000 0.928 521 K CB -0.403 31.988 32.500 -0.181 0.000 1.214 521 K HN 0.424 nan 8.250 nan 0.000 0.442 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.662 63.100 -0.730 0.000 0.800 522 P CB 0.000 31.498 31.700 -0.336 0.000 0.726