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 3m0x_1_A DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQLHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV A 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 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.822 175.800 0.037 0.000 0.967 4 F CA 0.000 58.011 58.000 0.018 0.000 1.383 4 F CB 0.000 39.008 39.000 0.014 0.000 1.145 5 R N 1.076 121.682 120.500 0.177 0.000 2.096 5 R HA 0.072 4.391 4.340 -0.036 0.000 0.235 5 R C 0.506 176.908 176.300 0.169 0.000 1.127 5 R CA 1.054 57.250 56.100 0.160 0.000 0.968 5 R CB 0.124 30.448 30.300 0.039 0.000 0.861 5 R HN 0.288 nan 8.270 nan 0.000 0.440 6 I N 0.918 121.566 120.570 0.129 0.000 2.378 6 I HA 0.251 4.399 4.170 -0.036 0.000 0.291 6 I C 0.170 176.334 176.117 0.079 0.000 0.992 6 I CA -1.738 59.617 61.300 0.092 0.000 1.154 6 I CB 1.174 39.198 38.000 0.040 0.000 1.315 6 I HN -0.082 nan 8.210 nan 0.000 0.448 7 A N 6.209 129.061 122.820 0.052 0.000 2.548 7 A HA 0.048 4.346 4.320 -0.036 0.000 0.247 7 A C 1.253 178.789 177.584 -0.081 0.000 1.067 7 A CA 0.110 52.146 52.037 -0.002 0.000 0.757 7 A CB 0.069 19.072 19.000 0.003 0.000 0.996 7 A HN 0.825 nan 8.150 nan 0.000 0.504 8 Q N 1.341 121.023 119.800 -0.198 0.000 2.170 8 Q HA -0.198 4.120 4.340 -0.036 0.000 0.203 8 Q C 1.373 177.284 176.000 -0.149 0.000 0.976 8 Q CA 1.519 57.166 55.803 -0.261 0.000 0.858 8 Q CB -0.107 28.362 28.738 -0.448 0.000 0.907 8 Q HN 1.015 nan 8.270 nan 0.000 0.433 9 D N 0.257 120.592 120.400 -0.108 0.000 2.218 9 D HA -0.126 4.492 4.640 -0.036 0.000 0.204 9 D C 1.751 178.019 176.300 -0.053 0.000 0.976 9 D CA 1.010 54.967 54.000 -0.071 0.000 0.853 9 D CB -0.082 40.688 40.800 -0.051 0.000 0.939 9 D HN 0.121 nan 8.370 nan 0.000 0.481 10 V N 0.892 120.778 119.914 -0.047 0.000 2.379 10 V HA -0.173 3.926 4.120 -0.036 0.000 0.245 10 V C 2.945 179.019 176.094 -0.033 0.000 1.044 10 V CA 0.976 63.258 62.300 -0.031 0.000 1.036 10 V CB -0.157 31.655 31.823 -0.019 0.000 0.664 10 V HN 0.103 nan 8.190 nan 0.000 0.453 11 V N 0.517 120.404 119.914 -0.045 0.000 2.358 11 V HA -0.225 3.874 4.120 -0.036 0.000 0.246 11 V C 2.715 178.782 176.094 -0.045 0.000 1.047 11 V CA 1.911 64.187 62.300 -0.041 0.000 1.035 11 V CB -1.144 30.645 31.823 -0.056 0.000 0.658 11 V HN 0.537 nan 8.190 nan 0.000 0.452 12 A N 0.269 123.055 122.820 -0.058 0.000 1.858 12 A HA -0.271 4.028 4.320 -0.036 0.000 0.216 12 A C 2.410 179.971 177.584 -0.038 0.000 1.190 12 A CA 2.192 54.197 52.037 -0.052 0.000 0.617 12 A CB -0.607 18.357 19.000 -0.060 0.000 0.827 12 A HN 0.480 nan 8.150 nan 0.000 0.443 13 R N -0.564 119.915 120.500 -0.035 0.000 2.083 13 R HA -0.174 4.145 4.340 -0.036 0.000 0.237 13 R C 1.946 178.233 176.300 -0.022 0.000 1.137 13 R CA 1.825 57.909 56.100 -0.027 0.000 0.951 13 R CB -0.226 30.060 30.300 -0.024 0.000 0.851 13 R HN 0.458 nan 8.270 nan 0.000 0.434 14 E N 0.317 120.505 120.200 -0.020 0.000 2.150 14 E HA -0.141 4.187 4.350 -0.036 0.000 0.193 14 E C 1.628 178.218 176.600 -0.016 0.000 0.985 14 E CA 1.121 57.512 56.400 -0.014 0.000 0.814 14 E CB -0.379 29.316 29.700 -0.008 0.000 0.752 14 E HN 0.543 nan 8.360 nan 0.000 0.466 15 N N 0.750 119.437 118.700 -0.022 0.000 2.142 15 N HA -0.127 4.591 4.740 -0.036 0.000 0.186 15 N C 1.278 176.773 175.510 -0.026 0.000 1.023 15 N CA 0.928 53.963 53.050 -0.025 0.000 0.852 15 N CB 0.054 38.522 38.487 -0.032 0.000 0.998 15 N HN 0.071 nan 8.380 nan 0.000 0.424 16 D N 0.797 121.182 120.400 -0.026 0.000 2.117 16 D HA -0.159 4.459 4.640 -0.036 0.000 0.197 16 D C 1.802 178.090 176.300 -0.020 0.000 0.987 16 D CA 0.776 54.761 54.000 -0.024 0.000 0.829 16 D CB -0.231 40.555 40.800 -0.024 0.000 0.961 16 D HN 0.215 nan 8.370 nan 0.000 0.460 17 R N 0.681 121.171 120.500 -0.017 0.000 2.152 17 R HA -0.053 4.266 4.340 -0.036 0.000 0.232 17 R C 1.305 177.598 176.300 -0.013 0.000 1.117 17 R CA 1.005 57.096 56.100 -0.014 0.000 0.981 17 R CB 0.176 30.468 30.300 -0.012 0.000 0.870 17 R HN 0.117 nan 8.270 nan 0.000 0.451 18 R N -1.279 119.212 120.500 -0.014 0.000 2.437 18 R HA 0.242 4.560 4.340 -0.036 0.000 0.257 18 R C 1.683 177.974 176.300 -0.016 0.000 0.927 18 R CA 0.343 56.435 56.100 -0.013 0.000 1.078 18 R CB 0.662 30.955 30.300 -0.012 0.000 1.161 18 R HN 0.096 nan 8.270 nan 0.000 0.529 19 A N 1.043 123.851 122.820 -0.020 0.000 1.883 19 A HA -0.229 4.070 4.320 -0.036 0.000 0.217 19 A C 2.156 179.729 177.584 -0.018 0.000 1.186 19 A CA 2.128 54.150 52.037 -0.025 0.000 0.624 19 A CB -0.632 18.351 19.000 -0.028 0.000 0.822 19 A HN 0.274 nan 8.150 nan 0.000 0.444 20 S N -0.465 115.227 115.700 -0.013 0.000 2.353 20 S HA -0.105 4.343 4.470 -0.036 0.000 0.222 20 S C 2.212 176.811 174.600 -0.002 0.000 1.035 20 S CA 1.860 60.055 58.200 -0.008 0.000 1.025 20 S CB -0.571 62.624 63.200 -0.008 0.000 0.902 20 S HN 0.897 nan 8.310 nan 0.000 0.440 21 A N 1.376 124.194 122.820 -0.003 0.000 1.902 21 A HA -0.029 4.270 4.320 -0.036 0.000 0.217 21 A C 2.184 179.774 177.584 0.010 0.000 1.181 21 A CA 1.755 53.793 52.037 0.001 0.000 0.623 21 A CB -0.956 18.042 19.000 -0.003 0.000 0.818 21 A HN 0.594 nan 8.150 nan 0.000 0.443 22 L N 0.131 121.358 121.223 0.007 0.000 2.046 22 L HA -0.145 4.174 4.340 -0.036 0.000 0.208 22 L C 2.260 179.159 176.870 0.047 0.000 1.077 22 L CA 2.732 57.584 54.840 0.020 0.000 0.747 22 L CB -0.692 41.362 42.059 -0.009 0.000 0.896 22 L HN 0.480 nan 8.230 nan 0.000 0.432 23 K N -0.816 119.597 120.400 0.022 0.000 2.032 23 K HA -0.209 4.090 4.320 -0.036 0.000 0.209 23 K C 1.935 178.577 176.600 0.069 0.000 1.048 23 K CA 1.699 58.008 56.287 0.037 0.000 0.927 23 K CB -0.081 32.425 32.500 0.009 0.000 0.712 23 K HN 0.365 nan 8.250 nan 0.000 0.441 24 E N 1.149 121.373 120.200 0.040 0.000 2.051 24 E HA -0.178 4.151 4.350 -0.036 0.000 0.192 24 E C 1.838 178.459 176.600 0.034 0.000 0.991 24 E CA 1.212 57.630 56.400 0.030 0.000 0.799 24 E CB -0.306 29.401 29.700 0.012 0.000 0.748 24 E HN 0.434 nan 8.360 nan 0.000 0.449 25 D N -0.095 120.330 120.400 0.040 0.000 2.097 25 D HA -0.148 4.470 4.640 -0.036 0.000 0.197 25 D C 1.961 178.287 176.300 0.043 0.000 0.984 25 D CA 0.779 54.795 54.000 0.028 0.000 0.826 25 D CB -0.488 40.327 40.800 0.024 0.000 0.973 25 D HN 0.201 nan 8.370 nan 0.000 0.460 26 Y N 1.950 122.232 120.300 -0.031 0.000 2.145 26 Y HA -0.177 4.350 4.550 -0.038 0.000 0.286 26 Y C 2.139 178.021 175.900 -0.029 0.000 1.145 26 Y CA 1.703 59.784 58.100 -0.032 0.000 1.148 26 Y CB 0.049 38.492 38.460 -0.028 0.000 0.981 26 Y HN -0.026 nan 8.280 nan 0.000 0.507 27 E N -0.306 119.969 120.200 0.124 0.000 2.150 27 E HA -0.176 4.153 4.350 -0.036 0.000 0.193 27 E C 2.315 178.891 176.600 -0.041 0.000 0.985 27 E CA 0.789 57.215 56.400 0.043 0.000 0.814 27 E CB -0.265 29.478 29.700 0.072 0.000 0.752 27 E HN 0.572 nan 8.360 nan 0.000 0.466 28 A N 1.344 124.141 122.820 -0.039 0.000 1.873 28 A HA -0.146 4.153 4.320 -0.036 0.000 0.215 28 A C 2.167 179.693 177.584 -0.096 0.000 1.186 28 A CA 0.900 52.904 52.037 -0.055 0.000 0.616 28 A CB -0.492 18.484 19.000 -0.041 0.000 0.823 28 A HN 0.214 nan 8.150 nan 0.000 0.442 29 L N 0.280 121.421 121.223 -0.138 0.000 2.046 29 L HA -0.024 4.295 4.340 -0.036 0.000 0.208 29 L C 2.373 179.111 176.870 -0.221 0.000 1.077 29 L CA 2.253 56.982 54.840 -0.184 0.000 0.747 29 L CB -1.102 40.816 42.059 -0.234 0.000 0.896 29 L HN 0.309 nan 8.230 nan 0.000 0.432 30 G N -1.034 107.594 108.800 -0.286 0.000 2.446 30 G HA2 -0.281 3.657 3.960 -0.036 0.000 0.217 30 G HA3 -0.281 3.657 3.960 -0.036 0.000 0.217 30 G C 1.600 176.419 174.900 -0.134 0.000 1.168 30 G CA 0.880 45.830 45.100 -0.250 0.000 0.771 30 G HN 0.632 nan 8.290 nan 0.000 0.551 31 A N 1.031 123.792 122.820 -0.099 0.000 1.898 31 A HA -0.113 4.186 4.320 -0.036 0.000 0.216 31 A C 2.215 179.760 177.584 -0.066 0.000 1.181 31 A CA 1.898 53.896 52.037 -0.065 0.000 0.620 31 A CB -0.577 18.394 19.000 -0.048 0.000 0.819 31 A HN 0.465 nan 8.150 nan 0.000 0.442 32 N N 0.345 118.998 118.700 -0.078 0.000 2.142 32 N HA -0.109 4.609 4.740 -0.036 0.000 0.186 32 N C 1.751 177.218 175.510 -0.072 0.000 1.023 32 N CA 1.521 54.528 53.050 -0.071 0.000 0.852 32 N CB -0.240 38.200 38.487 -0.078 0.000 0.998 32 N HN 0.507 nan 8.380 nan 0.000 0.424 33 L N 0.792 121.960 121.223 -0.091 0.000 2.056 33 L HA -0.069 4.250 4.340 -0.036 0.000 0.207 33 L C 2.762 179.594 176.870 -0.063 0.000 1.078 33 L CA 1.120 55.909 54.840 -0.084 0.000 0.749 33 L CB -0.579 41.414 42.059 -0.111 0.000 0.901 33 L HN 0.165 nan 8.230 nan 0.000 0.433 34 A N 0.171 122.954 122.820 -0.063 0.000 1.940 34 A HA -0.225 4.073 4.320 -0.036 0.000 0.219 34 A C 2.342 179.906 177.584 -0.035 0.000 1.176 34 A CA 1.530 53.540 52.037 -0.045 0.000 0.631 34 A CB -0.517 18.459 19.000 -0.041 0.000 0.814 34 A HN 0.333 nan 8.150 nan 0.000 0.446 35 R N -0.980 119.498 120.500 -0.036 0.000 2.237 35 R HA -0.021 4.297 4.340 -0.036 0.000 0.219 35 R C 1.644 177.929 176.300 -0.025 0.000 1.080 35 R CA 1.139 57.222 56.100 -0.028 0.000 0.995 35 R CB -0.131 30.151 30.300 -0.029 0.000 0.875 35 R HN 0.467 nan 8.270 nan 0.000 0.462 36 R N -0.740 119.743 120.500 -0.029 0.000 2.334 36 R HA 0.117 4.436 4.340 -0.036 0.000 0.216 36 R C 0.735 177.024 176.300 -0.019 0.000 0.905 36 R CA 0.486 56.572 56.100 -0.022 0.000 1.064 36 R CB 0.889 31.172 30.300 -0.028 0.000 1.046 36 R HN 0.281 nan 8.270 nan 0.000 0.508 37 G N 0.712 109.499 108.800 -0.022 0.000 2.137 37 G HA2 -0.231 3.707 3.960 -0.036 0.000 0.237 37 G HA3 -0.231 3.707 3.960 -0.036 0.000 0.237 37 G C -0.131 174.755 174.900 -0.023 0.000 1.002 37 G CA -0.012 45.076 45.100 -0.019 0.000 0.702 37 G HN 0.140 nan 8.290 nan 0.000 0.515 38 V N 0.517 120.412 119.914 -0.032 0.000 2.555 38 V HA 0.539 4.638 4.120 -0.036 0.000 0.302 38 V C -0.354 175.714 176.094 -0.044 0.000 1.038 38 V CA -0.988 61.289 62.300 -0.038 0.000 0.887 38 V CB 1.998 33.793 31.823 -0.048 0.000 0.991 38 V HN 0.296 nan 8.190 nan 0.000 0.434 39 D N 3.475 123.853 120.400 -0.036 0.000 2.380 39 D HA 0.212 4.830 4.640 -0.036 0.000 0.230 39 D C 0.954 177.230 176.300 -0.041 0.000 1.154 39 D CA -0.153 53.828 54.000 -0.031 0.000 0.859 39 D CB 1.482 42.273 40.800 -0.013 0.000 1.045 39 D HN 0.570 nan 8.370 nan 0.000 0.495 40 I N 3.582 124.111 120.570 -0.069 0.000 2.335 40 I HA -0.233 3.916 4.170 -0.036 0.000 0.251 40 I C 1.582 177.696 176.117 -0.005 0.000 1.129 40 I CA 1.130 62.371 61.300 -0.099 0.000 1.402 40 I CB 0.396 38.242 38.000 -0.257 0.000 1.069 40 I HN 0.326 nan 8.210 nan 0.000 0.424 41 E N 1.067 121.291 120.200 0.040 0.000 2.110 41 E HA -0.201 4.127 4.350 -0.036 0.000 0.193 41 E C 2.225 178.854 176.600 0.048 0.000 0.988 41 E CA 1.325 57.776 56.400 0.084 0.000 0.804 41 E CB -0.391 29.352 29.700 0.072 0.000 0.745 41 E HN 0.657 nan 8.360 nan 0.000 0.458 42 A N 0.873 123.705 122.820 0.020 0.000 1.930 42 A HA -0.113 4.185 4.320 -0.036 0.000 0.217 42 A C 2.593 180.178 177.584 0.001 0.000 1.175 42 A CA 1.316 53.360 52.037 0.011 0.000 0.627 42 A CB -0.503 18.497 19.000 0.000 0.000 0.815 42 A HN 0.138 nan 8.150 nan 0.000 0.443 43 V N -0.380 119.524 119.914 -0.018 0.000 2.307 43 V HA -0.199 3.900 4.120 -0.036 0.000 0.245 43 V C 2.706 178.793 176.094 -0.012 0.000 1.045 43 V CA 2.392 64.664 62.300 -0.047 0.000 1.024 43 V CB -1.366 30.410 31.823 -0.078 0.000 0.651 43 V HN 0.575 nan 8.190 nan 0.000 0.449 44 T N 0.708 115.282 114.554 0.034 0.000 2.720 44 T HA -0.185 4.144 4.350 -0.036 0.000 0.268 44 T C 2.073 176.803 174.700 0.050 0.000 1.037 44 T CA 1.655 63.796 62.100 0.069 0.000 1.144 44 T CB -0.465 68.492 68.868 0.147 0.000 0.864 44 T HN 0.566 nan 8.240 nan 0.000 0.444 45 A N 1.705 124.552 122.820 0.046 0.000 1.933 45 A HA -0.133 4.166 4.320 -0.036 0.000 0.218 45 A C 2.273 179.885 177.584 0.047 0.000 1.175 45 A CA 1.441 53.504 52.037 0.043 0.000 0.628 45 A CB -0.351 18.673 19.000 0.040 0.000 0.814 45 A HN 0.453 nan 8.150 nan 0.000 0.444 46 K N -0.619 119.814 120.400 0.055 0.000 2.116 46 K HA 0.039 4.338 4.320 -0.036 0.000 0.203 46 K C 1.844 178.548 176.600 0.173 0.000 1.052 46 K CA 1.053 57.404 56.287 0.106 0.000 0.952 46 K CB -0.214 32.344 32.500 0.097 0.000 0.729 46 K HN 0.308 nan 8.250 nan 0.000 0.446 47 V N 2.849 122.835 119.914 0.120 0.000 2.358 47 V HA -0.232 3.866 4.120 -0.036 0.000 0.246 47 V C 2.244 178.366 176.094 0.046 0.000 1.047 47 V CA 2.056 64.437 62.300 0.136 0.000 1.035 47 V CB -0.598 31.251 31.823 0.044 0.000 0.658 47 V HN 0.471 nan 8.190 nan 0.000 0.452 48 E N 0.501 120.711 120.200 0.017 0.000 2.472 48 E HA -0.197 4.131 4.350 -0.036 0.000 0.200 48 E C 1.525 178.056 176.600 -0.115 0.000 1.046 48 E CA 0.954 57.350 56.400 -0.007 0.000 0.871 48 E CB -0.170 29.548 29.700 0.030 0.000 0.806 48 E HN 0.546 nan 8.360 nan 0.000 0.533 49 K N 0.204 120.473 120.400 -0.219 0.000 2.387 49 K HA 0.144 4.442 4.320 -0.036 0.000 0.203 49 K C -0.546 175.449 176.600 -1.008 0.000 1.030 49 K CA -0.416 55.549 56.287 -0.537 0.000 1.099 49 K CB 0.340 32.739 32.500 -0.168 0.000 0.863 49 K HN 0.055 nan 8.250 nan 0.000 0.529 50 F N 1.537 120.988 119.950 -0.832 0.000 2.424 50 F HA 0.315 4.809 4.527 -0.056 0.000 0.356 50 F C -0.657 174.668 175.800 -0.792 0.000 1.110 50 F CA -0.777 56.755 58.000 -0.779 0.000 1.161 50 F CB 0.352 38.916 39.000 -0.726 0.000 1.115 50 F HN -0.220 nan 8.300 nan 0.000 0.507 51 F N 5.290 124.811 119.950 -0.715 0.000 2.546 51 F HA 0.674 5.170 4.527 -0.053 0.000 0.320 51 F C -0.572 174.974 175.800 -0.423 0.000 1.076 51 F CA -1.370 56.400 58.000 -0.382 0.000 0.928 51 F CB 1.684 40.554 39.000 -0.217 0.000 1.189 51 F HN 0.234 nan 8.300 nan 0.000 0.465 52 V N 2.140 122.109 119.914 0.092 0.000 2.686 52 V HA 0.844 4.942 4.120 -0.036 0.000 0.306 52 V C -0.685 175.486 176.094 0.129 0.000 1.065 52 V CA -0.776 61.620 62.300 0.160 0.000 0.894 52 V CB 1.467 33.450 31.823 0.267 0.000 1.004 52 V HN 1.037 nan 8.190 nan 0.000 0.424 53 A N 5.296 128.190 122.820 0.123 0.000 2.425 53 A HA 0.612 4.910 4.320 -0.036 0.000 0.249 53 A C -0.122 177.473 177.584 0.018 0.000 1.084 53 A CA 0.232 52.301 52.037 0.053 0.000 0.781 53 A CB 1.090 20.128 19.000 0.063 0.000 1.019 53 A HN 1.611 nan 8.150 nan 0.000 0.490 54 V N 4.365 124.254 119.914 -0.043 0.000 2.481 54 V HA 0.570 4.669 4.120 -0.036 0.000 0.286 54 V C -2.294 173.675 176.094 -0.209 0.000 1.042 54 V CA -2.238 60.001 62.300 -0.101 0.000 0.928 54 V CB 1.773 33.542 31.823 -0.089 0.000 0.986 54 V HN 0.830 nan 8.190 nan 0.000 0.462 55 P HA 0.181 nan 4.420 nan 0.000 0.282 55 P C 0.692 177.617 177.300 -0.625 0.000 1.274 55 P CA -0.026 62.515 63.100 -0.932 0.000 0.770 55 P CB 1.540 32.272 31.700 -1.615 0.000 0.867 56 S N 3.181 118.712 115.700 -0.282 0.000 2.400 56 S HA -0.188 4.261 4.470 -0.036 0.000 0.232 56 S C 1.482 176.146 174.600 0.108 0.000 1.025 56 S CA 0.810 59.030 58.200 0.032 0.000 0.993 56 S CB -1.434 61.913 63.200 0.245 0.000 0.808 56 S HN 0.687 nan 8.310 nan 0.000 0.478 57 W N 1.624 123.044 121.300 0.201 0.000 3.077 57 W HA 0.556 5.281 4.660 0.109 0.000 0.245 57 W C 1.565 178.126 176.519 0.070 0.000 1.316 57 W CA -0.200 57.221 57.345 0.127 0.000 1.537 57 W CB -0.626 28.974 29.460 0.234 0.000 1.131 57 W HN 0.228 nan 8.180 nan 0.000 0.695 58 G N 0.575 109.255 108.800 -0.201 0.000 3.126 58 G HA2 0.001 3.940 3.960 -0.036 0.000 0.224 58 G HA3 0.001 3.940 3.960 -0.036 0.000 0.224 58 G C 0.991 175.962 174.900 0.118 0.000 1.142 58 G CA 0.464 45.544 45.100 -0.034 0.000 0.759 58 G HN 0.256 nan 8.290 nan 0.000 0.550 59 V N 0.780 120.717 119.914 0.039 0.000 2.788 59 V HA 0.353 4.452 4.120 -0.036 0.000 0.251 59 V C 1.464 177.604 176.094 0.076 0.000 1.068 59 V CA 1.317 63.642 62.300 0.041 0.000 1.090 59 V CB -0.237 31.604 31.823 0.030 0.000 0.710 59 V HN 0.237 nan 8.190 nan 0.000 0.467 60 G N -0.430 108.423 108.800 0.088 0.000 2.462 60 G HA2 0.438 4.377 3.960 -0.036 0.000 0.319 60 G HA3 0.438 4.377 3.960 -0.036 0.000 0.319 60 G C -0.371 174.589 174.900 0.101 0.000 1.171 60 G CA -0.196 44.953 45.100 0.081 0.000 0.920 60 G HN 0.229 nan 8.290 nan 0.000 0.499 61 T N 0.476 115.086 114.554 0.094 0.000 2.916 61 T HA 0.435 4.764 4.350 -0.036 0.000 0.303 61 T C 1.026 175.775 174.700 0.080 0.000 1.025 61 T CA 0.554 62.720 62.100 0.111 0.000 1.142 61 T CB 1.057 69.992 68.868 0.111 0.000 0.947 61 T HN 0.713 nan 8.240 nan 0.000 0.544 62 G N 0.982 109.836 108.800 0.089 0.000 2.537 62 G HA2 0.711 4.649 3.960 -0.036 0.000 0.297 62 G HA3 0.711 4.649 3.960 -0.036 0.000 0.297 62 G C -0.019 174.912 174.900 0.053 0.000 1.310 62 G CA -0.333 44.796 45.100 0.049 0.000 1.027 62 G HN 0.985 nan 8.290 nan 0.000 0.505 63 G N -2.088 106.730 108.800 0.031 0.000 2.645 63 G HA2 0.707 4.646 3.960 -0.036 0.000 0.292 63 G HA3 0.707 4.646 3.960 -0.036 0.000 0.292 63 G C -0.495 174.430 174.900 0.041 0.000 1.415 63 G CA 0.375 45.493 45.100 0.029 0.000 0.785 63 G HN 1.144 nan 8.290 nan 0.000 0.483 64 T N -3.037 111.549 114.554 0.054 0.000 2.807 64 T HA 0.457 4.785 4.350 -0.036 0.000 0.277 64 T C 1.430 176.127 174.700 -0.005 0.000 1.006 64 T CA -0.188 61.953 62.100 0.068 0.000 1.006 64 T CB 1.691 70.668 68.868 0.182 0.000 1.274 64 T HN 0.797 nan 8.240 nan 0.000 0.569 65 R N -0.582 119.860 120.500 -0.098 0.000 2.237 65 R HA 0.078 4.396 4.340 -0.036 0.000 0.219 65 R C 1.229 177.339 176.300 -0.316 0.000 1.080 65 R CA 1.190 57.148 56.100 -0.237 0.000 0.995 65 R CB -0.739 29.348 30.300 -0.354 0.000 0.875 65 R HN 0.491 nan 8.270 nan 0.000 0.462 66 F N 0.989 120.945 119.950 0.010 0.000 2.262 66 F HA 0.353 4.858 4.527 -0.038 0.000 0.292 66 F C 1.198 176.965 175.800 -0.055 0.000 1.081 66 F CA 0.696 58.697 58.000 0.001 0.000 1.355 66 F CB 0.179 39.200 39.000 0.034 0.000 1.069 66 F HN 0.217 nan 8.300 nan 0.000 0.506 67 A N -0.575 122.281 122.820 0.059 0.000 2.544 67 A HA 0.674 4.972 4.320 -0.036 0.000 0.291 67 A C -1.225 176.145 177.584 -0.357 0.000 1.055 67 A CA -0.821 51.077 52.037 -0.233 0.000 0.651 67 A CB 1.097 19.830 19.000 -0.445 0.000 1.296 67 A HN 0.069 nan 8.150 nan 0.000 0.431 68 R N 0.028 120.203 120.500 -0.541 0.000 2.575 68 R HA 0.716 5.035 4.340 -0.036 0.000 0.293 68 R C -2.170 173.800 176.300 -0.549 0.000 0.983 68 R CA -0.465 55.417 56.100 -0.363 0.000 0.887 68 R CB 0.938 31.140 30.300 -0.164 0.000 1.184 68 R HN 0.564 nan 8.270 nan 0.000 0.445 69 F N 5.604 125.583 119.950 0.048 0.000 2.453 69 F HA 0.352 4.856 4.527 -0.039 0.000 0.358 69 F C -1.717 174.109 175.800 0.044 0.000 1.129 69 F CA -2.017 56.009 58.000 0.044 0.000 1.200 69 F CB 1.125 40.153 39.000 0.046 0.000 1.431 69 F HN 0.321 nan 8.300 nan 0.000 0.503 70 P HA 0.213 nan 4.420 nan 0.000 0.269 70 P C 0.303 177.674 177.300 0.118 0.000 1.215 70 P CA 0.090 63.256 63.100 0.110 0.000 0.780 70 P CB 1.495 33.234 31.700 0.065 0.000 0.898 71 G N 0.791 109.652 108.800 0.101 0.000 2.702 71 G HA2 0.554 4.493 3.960 -0.036 0.000 0.254 71 G HA3 0.554 4.493 3.960 -0.036 0.000 0.254 71 G C -0.324 174.618 174.900 0.071 0.000 1.380 71 G CA -0.387 44.766 45.100 0.089 0.000 1.042 71 G HN 0.672 nan 8.290 nan 0.000 0.557 72 T N -3.544 111.046 114.554 0.061 0.000 2.899 72 T HA 0.458 4.786 4.350 -0.036 0.000 0.284 72 T C 1.198 175.924 174.700 0.043 0.000 1.004 72 T CA 0.744 62.871 62.100 0.044 0.000 1.043 72 T CB 1.058 69.944 68.868 0.030 0.000 1.013 72 T HN 2.187 nan 8.240 nan 0.000 0.518 73 G N 1.303 110.119 108.800 0.026 0.000 2.305 73 G HA2 -0.196 3.742 3.960 -0.036 0.000 0.287 73 G HA3 -0.196 3.742 3.960 -0.036 0.000 0.287 73 G C -0.054 174.873 174.900 0.044 0.000 1.036 73 G CA -0.102 45.009 45.100 0.018 0.000 0.887 73 G HN 0.890 nan 8.290 nan 0.000 0.505 74 E N 0.864 121.094 120.200 0.050 0.000 2.414 74 E HA 0.164 4.493 4.350 -0.036 0.000 0.263 74 E C -1.709 174.927 176.600 0.060 0.000 1.000 74 E CA -1.326 55.109 56.400 0.059 0.000 0.914 74 E CB 0.721 30.451 29.700 0.050 0.000 0.948 74 E HN 0.354 nan 8.360 nan 0.000 0.444 75 P HA 0.106 nan 4.420 nan 0.000 0.271 75 P C -0.155 177.188 177.300 0.072 0.000 1.220 75 P CA -0.073 63.076 63.100 0.083 0.000 0.768 75 P CB 0.618 32.376 31.700 0.097 0.000 0.848 76 R N 1.670 122.217 120.500 0.079 0.000 2.297 76 R HA 0.370 4.689 4.340 -0.036 0.000 0.197 76 R C 1.314 177.667 176.300 0.089 0.000 0.943 76 R CA 0.381 56.525 56.100 0.073 0.000 1.038 76 R CB 0.081 30.423 30.300 0.071 0.000 0.957 76 R HN 0.660 nan 8.270 nan 0.000 0.484 77 G N -0.968 107.897 108.800 0.109 0.000 2.554 77 G HA2 0.185 4.124 3.960 -0.036 0.000 0.306 77 G HA3 0.185 4.124 3.960 -0.036 0.000 0.306 77 G C -0.354 174.598 174.900 0.086 0.000 1.320 77 G CA -0.713 44.456 45.100 0.114 0.000 0.800 77 G HN -0.017 nan 8.290 nan 0.000 0.481 78 I N -0.425 120.145 120.570 0.000 0.000 2.361 78 I HA 0.074 4.222 4.170 -0.036 0.000 0.251 78 I C 2.191 178.216 176.117 -0.154 0.000 1.133 78 I CA 1.308 62.543 61.300 -0.107 0.000 1.413 78 I CB -0.450 37.398 38.000 -0.253 0.000 1.073 78 I HN 0.402 nan 8.210 nan 0.000 0.424 79 F N 0.692 120.711 119.950 0.115 0.000 2.146 79 F HA -0.156 4.353 4.527 -0.030 0.000 0.298 79 F C 2.320 178.179 175.800 0.099 0.000 1.096 79 F CA 1.459 59.521 58.000 0.104 0.000 1.275 79 F CB -0.968 38.083 39.000 0.085 0.000 1.008 79 F HN 0.092 nan 8.300 nan 0.000 0.480 80 D N 0.271 120.818 120.400 0.247 0.000 2.144 80 D HA -0.121 4.498 4.640 -0.036 0.000 0.200 80 D C 2.119 178.512 176.300 0.154 0.000 0.978 80 D CA 1.089 55.198 54.000 0.182 0.000 0.833 80 D CB -0.271 40.616 40.800 0.145 0.000 0.961 80 D HN 0.230 nan 8.370 nan 0.000 0.470 81 K N 0.226 120.700 120.400 0.124 0.000 2.057 81 K HA -0.060 4.239 4.320 -0.036 0.000 0.207 81 K C 2.301 178.955 176.600 0.090 0.000 1.049 81 K CA 0.590 56.937 56.287 0.100 0.000 0.931 81 K CB -0.162 32.392 32.500 0.089 0.000 0.714 81 K HN 0.163 nan 8.250 nan 0.000 0.440 82 L N 1.173 122.454 121.223 0.096 0.000 2.046 82 L HA -0.228 4.091 4.340 -0.036 0.000 0.208 82 L C 1.918 178.838 176.870 0.083 0.000 1.077 82 L CA 1.118 56.009 54.840 0.085 0.000 0.747 82 L CB -0.507 41.625 42.059 0.121 0.000 0.896 82 L HN 0.193 nan 8.230 nan 0.000 0.432 83 D N 0.100 120.579 120.400 0.131 0.000 2.123 83 D HA -0.191 4.428 4.640 -0.036 0.000 0.196 83 D C 1.784 178.164 176.300 0.133 0.000 0.992 83 D CA 1.294 55.381 54.000 0.145 0.000 0.833 83 D CB -0.191 40.727 40.800 0.197 0.000 0.954 83 D HN 0.285 nan 8.370 nan 0.000 0.455 84 D N -0.455 120.034 120.400 0.148 0.000 2.144 84 D HA -0.083 4.536 4.640 -0.036 0.000 0.200 84 D C 2.160 178.454 176.300 -0.010 0.000 0.978 84 D CA 0.456 54.523 54.000 0.112 0.000 0.833 84 D CB -0.509 40.379 40.800 0.148 0.000 0.961 84 D HN 0.217 nan 8.370 nan 0.000 0.470 85 C N 0.969 120.265 119.300 -0.006 0.000 2.422 85 C HA -0.012 4.426 4.460 -0.036 0.000 0.279 85 C C 2.815 177.763 174.990 -0.069 0.000 1.305 85 C CA 0.631 59.619 59.018 -0.050 0.000 1.757 85 C CB -1.011 26.701 27.740 -0.047 0.000 1.962 85 C HN 0.351 nan 8.230 nan 0.000 0.499 86 A N 0.128 122.917 122.820 -0.052 0.000 2.019 86 A HA -0.068 4.231 4.320 -0.036 0.000 0.219 86 A C 2.231 179.768 177.584 -0.079 0.000 1.164 86 A CA 1.861 53.862 52.037 -0.060 0.000 0.644 86 A CB -0.486 18.495 19.000 -0.031 0.000 0.805 86 A HN 0.395 nan 8.150 nan 0.000 0.449 87 V N 0.210 120.046 119.914 -0.130 0.000 2.323 87 V HA -0.237 3.862 4.120 -0.036 0.000 0.244 87 V C 2.398 178.412 176.094 -0.133 0.000 1.041 87 V CA 1.895 64.083 62.300 -0.188 0.000 1.025 87 V CB -0.654 30.938 31.823 -0.385 0.000 0.656 87 V HN 0.587 nan 8.190 nan 0.000 0.451 88 I N 0.158 120.646 120.570 -0.138 0.000 2.163 88 I HA -0.315 3.833 4.170 -0.036 0.000 0.243 88 I C 2.658 178.730 176.117 -0.074 0.000 1.085 88 I CA 1.985 63.212 61.300 -0.121 0.000 1.347 88 I CB -0.446 37.482 38.000 -0.120 0.000 1.044 88 I HN 0.367 nan 8.210 nan 0.000 0.408 89 Q N 1.214 120.974 119.800 -0.067 0.000 2.079 89 Q HA -0.259 4.059 4.340 -0.036 0.000 0.200 89 Q C 2.159 178.146 176.000 -0.022 0.000 0.974 89 Q CA 1.778 57.553 55.803 -0.047 0.000 0.840 89 Q CB -0.407 28.286 28.738 -0.076 0.000 0.898 89 Q HN 0.472 nan 8.270 nan 0.000 0.430 90 Q N -0.645 119.144 119.800 -0.018 0.000 2.124 90 Q HA -0.132 4.187 4.340 -0.036 0.000 0.202 90 Q C 1.879 177.891 176.000 0.020 0.000 0.977 90 Q CA 1.569 57.386 55.803 0.023 0.000 0.850 90 Q CB -0.007 28.763 28.738 0.052 0.000 0.901 90 Q HN 0.523 nan 8.270 nan 0.000 0.429 91 L N -0.634 120.587 121.223 -0.005 0.000 2.249 91 L HA -0.026 4.292 4.340 -0.036 0.000 0.207 91 L C 2.532 179.401 176.870 -0.003 0.000 1.090 91 L CA 1.397 56.235 54.840 -0.003 0.000 0.802 91 L CB -0.283 41.770 42.059 -0.010 0.000 0.947 91 L HN 0.340 nan 8.230 nan 0.000 0.453 92 T N -4.792 109.758 114.554 -0.007 0.000 3.039 92 T HA 0.044 4.373 4.350 -0.036 0.000 0.250 92 T C 1.172 175.897 174.700 0.041 0.000 1.052 92 T CA -0.284 61.820 62.100 0.007 0.000 1.125 92 T CB 0.209 69.075 68.868 -0.003 0.000 0.908 92 T HN 0.101 nan 8.240 nan 0.000 0.473 93 R N 0.389 120.918 120.500 0.049 0.000 3.875 93 R HA -0.149 4.169 4.340 -0.036 0.000 0.321 93 R C 0.824 177.243 176.300 0.198 0.000 1.196 93 R CA 0.886 57.042 56.100 0.094 0.000 0.868 93 R CB -2.421 27.937 30.300 0.097 0.000 1.333 93 R HN 0.717 nan 8.270 nan 0.000 0.522 94 A N -0.244 122.676 122.820 0.168 0.000 2.469 94 A HA 0.191 4.490 4.320 -0.036 0.000 0.245 94 A C 0.846 178.571 177.584 0.236 0.000 1.221 94 A CA 0.815 53.013 52.037 0.268 0.000 0.946 94 A CB 0.470 19.562 19.000 0.153 0.000 1.049 94 A HN 0.294 nan 8.150 nan 0.000 0.529 95 T N -2.648 111.963 114.554 0.094 0.000 3.630 95 T HA 0.330 4.659 4.350 -0.036 0.000 0.238 95 T C -1.868 172.776 174.700 -0.093 0.000 1.195 95 T CA -0.912 61.195 62.100 0.012 0.000 1.433 95 T CB 0.919 69.781 68.868 -0.010 0.000 0.940 95 T HN 0.091 nan 8.240 nan 0.000 0.641 96 P HA 0.011 nan 4.420 nan 0.000 0.223 96 P C -0.161 176.981 177.300 -0.263 0.000 1.151 96 P CA 0.533 63.457 63.100 -0.293 0.000 0.787 96 P CB 0.239 31.618 31.700 -0.535 0.000 0.788 97 N N -0.360 118.216 118.700 -0.207 0.000 2.384 97 N HA 0.347 5.065 4.740 -0.036 0.000 0.301 97 N C -0.798 174.634 175.510 -0.131 0.000 1.133 97 N CA -0.611 52.324 53.050 -0.190 0.000 0.853 97 N CB 2.607 41.017 38.487 -0.128 0.000 1.241 97 N HN -0.242 nan 8.380 nan 0.000 0.502 98 V N 0.294 120.126 119.914 -0.137 0.000 2.628 98 V HA 0.395 4.494 4.120 -0.036 0.000 0.306 98 V C 0.155 176.314 176.094 0.109 0.000 1.045 98 V CA -0.779 61.501 62.300 -0.033 0.000 0.905 98 V CB 1.882 33.685 31.823 -0.032 0.000 0.997 98 V HN 0.688 nan 8.190 nan 0.000 0.436 99 S N 4.723 120.479 115.700 0.092 0.000 2.438 99 S HA 0.661 5.109 4.470 -0.036 0.000 0.293 99 S C -0.672 174.125 174.600 0.330 0.000 1.141 99 S CA -0.553 57.768 58.200 0.201 0.000 1.080 99 S CB 0.116 63.414 63.200 0.162 0.000 0.978 99 S HN 0.534 nan 8.310 nan 0.000 0.479 100 L N 4.779 126.215 121.223 0.355 0.000 2.360 100 L HA 0.522 4.841 4.340 -0.036 0.000 0.271 100 L C 0.151 177.261 176.870 0.400 0.000 1.057 100 L CA -0.874 54.184 54.840 0.362 0.000 0.803 100 L CB 1.124 43.296 42.059 0.188 0.000 1.207 100 L HN 0.651 nan 8.230 nan 0.000 0.445 101 H N 3.458 122.743 119.070 0.357 0.000 2.658 101 H HA 0.450 4.980 4.556 -0.045 0.000 0.337 101 H C -1.063 174.294 175.328 0.049 0.000 1.009 101 H CA -0.557 55.588 56.048 0.161 0.000 1.231 101 H CB 1.803 31.663 29.762 0.164 0.000 1.508 101 H HN 0.234 nan 8.280 nan 0.000 0.517 102 I N 6.822 127.417 120.570 0.041 0.000 2.412 102 I HA 0.197 4.345 4.170 -0.036 0.000 0.296 102 I C -1.685 174.447 176.117 0.025 0.000 0.987 102 I CA -2.652 58.676 61.300 0.048 0.000 1.180 102 I CB 1.755 39.746 38.000 -0.016 0.000 1.340 102 I HN 0.454 nan 8.210 nan 0.000 0.455 103 P HA -0.017 nan 4.420 nan 0.000 0.253 103 P C 1.047 178.469 177.300 0.204 0.000 1.260 103 P CA 0.377 63.531 63.100 0.091 0.000 0.800 103 P CB 0.210 31.961 31.700 0.085 0.000 1.162 104 W N 1.822 123.198 121.300 0.127 0.000 2.335 104 W HA -0.098 4.531 4.660 -0.051 0.000 0.311 104 W C 1.071 177.652 176.519 0.104 0.000 1.213 104 W CA 1.091 58.501 57.345 0.110 0.000 1.274 104 W CB -1.653 27.882 29.460 0.125 0.000 1.148 104 W HN 0.114 nan 8.180 nan 0.000 0.498 105 D N 0.121 120.730 120.400 0.347 0.000 2.358 105 D HA 0.004 4.623 4.640 -0.036 0.000 0.224 105 D C 0.384 176.731 176.300 0.079 0.000 1.123 105 D CA 0.111 54.222 54.000 0.185 0.000 0.833 105 D CB -0.124 40.792 40.800 0.193 0.000 0.946 105 D HN -0.108 nan 8.370 nan 0.000 0.505 106 K N 1.847 122.310 120.400 0.105 0.000 2.472 106 K HA 0.273 4.572 4.320 -0.036 0.000 0.280 106 K C -0.604 176.026 176.600 0.050 0.000 1.028 106 K CA 0.008 56.333 56.287 0.064 0.000 1.045 106 K CB 0.160 32.709 32.500 0.081 0.000 0.902 106 K HN 0.075 nan 8.250 nan 0.000 0.478 107 A N 3.637 126.476 122.820 0.031 0.000 2.566 107 A HA 0.287 4.585 4.320 -0.036 0.000 0.290 107 A C -1.577 176.051 177.584 0.074 0.000 1.071 107 A CA -0.731 51.352 52.037 0.077 0.000 0.658 107 A CB 0.488 19.519 19.000 0.052 0.000 1.285 107 A HN 0.763 nan 8.150 nan 0.000 0.427 108 D N 0.925 121.401 120.400 0.128 0.000 2.451 108 D HA 0.299 4.918 4.640 -0.036 0.000 0.254 108 D C -1.468 174.875 176.300 0.071 0.000 1.204 108 D CA -0.650 53.404 54.000 0.090 0.000 0.896 108 D CB 0.839 41.699 40.800 0.100 0.000 1.136 108 D HN 0.110 nan 8.370 nan 0.000 0.499 109 P HA -0.217 nan 4.420 nan 0.000 0.216 109 P C 0.789 178.093 177.300 0.007 0.000 1.157 109 P CA 1.698 64.783 63.100 -0.025 0.000 0.880 109 P CB 0.185 31.865 31.700 -0.033 0.000 0.791 110 K N -0.256 120.166 120.400 0.036 0.000 2.057 110 K HA -0.143 4.156 4.320 -0.036 0.000 0.207 110 K C 2.067 178.724 176.600 0.095 0.000 1.049 110 K CA 1.365 57.684 56.287 0.054 0.000 0.931 110 K CB -0.695 31.831 32.500 0.043 0.000 0.714 110 K HN 0.264 nan 8.250 nan 0.000 0.440 111 E N 0.576 120.853 120.200 0.130 0.000 2.051 111 E HA -0.171 4.157 4.350 -0.036 0.000 0.192 111 E C 2.038 178.839 176.600 0.335 0.000 0.991 111 E CA 1.090 57.615 56.400 0.209 0.000 0.799 111 E CB -0.205 29.652 29.700 0.263 0.000 0.748 111 E HN 0.202 nan 8.360 nan 0.000 0.449 112 L N 0.855 122.237 121.223 0.266 0.000 2.012 112 L HA -0.251 4.068 4.340 -0.036 0.000 0.210 112 L C 2.628 179.662 176.870 0.274 0.000 1.073 112 L CA 1.362 56.309 54.840 0.179 0.000 0.748 112 L CB -0.440 41.534 42.059 -0.141 0.000 0.891 112 L HN 0.055 nan 8.230 nan 0.000 0.431 113 K N 0.468 120.971 120.400 0.171 0.000 2.057 113 K HA -0.149 4.150 4.320 -0.036 0.000 0.207 113 K C 1.984 178.721 176.600 0.228 0.000 1.049 113 K CA 1.630 58.073 56.287 0.260 0.000 0.931 113 K CB -0.353 32.229 32.500 0.137 0.000 0.714 113 K HN 0.249 nan 8.250 nan 0.000 0.440 114 A N 0.624 123.548 122.820 0.173 0.000 1.902 114 A HA -0.144 4.155 4.320 -0.036 0.000 0.217 114 A C 2.195 179.862 177.584 0.139 0.000 1.181 114 A CA 1.874 53.987 52.037 0.127 0.000 0.623 114 A CB -0.610 18.446 19.000 0.094 0.000 0.818 114 A HN 0.341 nan 8.150 nan 0.000 0.443 115 R N 0.106 120.733 120.500 0.213 0.000 2.075 115 R HA -0.027 4.292 4.340 -0.036 0.000 0.232 115 R C 2.140 178.534 176.300 0.157 0.000 1.126 115 R CA 1.962 58.190 56.100 0.213 0.000 0.963 115 R CB -1.397 29.129 30.300 0.376 0.000 0.858 115 R HN 0.370 nan 8.270 nan 0.000 0.435 116 G N 0.386 109.308 108.800 0.204 0.000 2.459 116 G HA2 -0.258 3.681 3.960 -0.036 0.000 0.217 116 G HA3 -0.258 3.681 3.960 -0.036 0.000 0.217 116 G C 1.001 175.885 174.900 -0.026 0.000 1.183 116 G CA 1.034 46.153 45.100 0.030 0.000 0.776 116 G HN 0.366 nan 8.290 nan 0.000 0.552 117 D N 1.126 121.547 120.400 0.034 0.000 2.144 117 D HA -0.059 4.559 4.640 -0.036 0.000 0.199 117 D C 2.810 179.096 176.300 -0.024 0.000 0.984 117 D CA 1.229 55.228 54.000 -0.003 0.000 0.834 117 D CB -0.492 40.324 40.800 0.026 0.000 0.955 117 D HN 0.319 nan 8.370 nan 0.000 0.465 118 A N 0.614 123.433 122.820 -0.002 0.000 1.933 118 A HA -0.101 4.197 4.320 -0.036 0.000 0.218 118 A C 2.298 179.847 177.584 -0.058 0.000 1.175 118 A CA 0.908 52.932 52.037 -0.023 0.000 0.628 118 A CB -0.593 18.411 19.000 0.006 0.000 0.814 118 A HN 0.226 nan 8.150 nan 0.000 0.444 119 L N -1.711 119.483 121.223 -0.049 0.000 2.509 119 L HA 0.218 4.536 4.340 -0.036 0.000 0.222 119 L C 1.541 178.345 176.870 -0.110 0.000 1.123 119 L CA 0.516 55.312 54.840 -0.074 0.000 0.856 119 L CB -0.151 41.883 42.059 -0.042 0.000 0.985 119 L HN 0.574 nan 8.230 nan 0.000 0.456 120 G N 1.023 109.754 108.800 -0.114 0.000 2.171 120 G HA2 -0.232 3.707 3.960 -0.036 0.000 0.238 120 G HA3 -0.232 3.707 3.960 -0.036 0.000 0.238 120 G C -0.187 174.613 174.900 -0.167 0.000 1.039 120 G CA -0.210 44.812 45.100 -0.130 0.000 0.759 120 G HN 0.195 nan 8.290 nan 0.000 0.501 121 L N -0.383 120.717 121.223 -0.204 0.000 2.342 121 L HA 0.845 5.163 4.340 -0.036 0.000 0.271 121 L C 0.983 177.590 176.870 -0.439 0.000 1.008 121 L CA -0.583 54.074 54.840 -0.305 0.000 0.818 121 L CB 1.977 43.843 42.059 -0.321 0.000 1.296 121 L HN 0.233 nan 8.230 nan 0.000 0.427 122 G N 0.400 108.918 108.800 -0.470 0.000 2.887 122 G HA2 0.743 4.682 3.960 -0.036 0.000 0.277 122 G HA3 0.743 4.682 3.960 -0.036 0.000 0.277 122 G C -1.569 172.904 174.900 -0.712 0.000 1.346 122 G CA -0.393 44.426 45.100 -0.469 0.000 1.058 122 G HN 0.266 nan 8.290 nan 0.000 0.535 123 F N -0.089 119.838 119.950 -0.038 0.000 2.518 123 F HA 0.375 4.880 4.527 -0.036 0.000 0.323 123 F C 0.278 176.055 175.800 -0.040 0.000 1.129 123 F CA -0.886 57.100 58.000 -0.023 0.000 0.920 123 F CB 2.250 41.248 39.000 -0.003 0.000 1.160 123 F HN 0.347 nan 8.300 nan 0.000 0.440 124 D N 1.201 121.686 120.400 0.141 0.000 2.430 124 D HA 0.513 5.131 4.640 -0.036 0.000 0.285 124 D C -0.080 176.259 176.300 0.065 0.000 1.210 124 D CA -0.219 53.825 54.000 0.073 0.000 1.080 124 D CB 1.305 42.154 40.800 0.081 0.000 1.134 124 D HN 0.615 nan 8.370 nan 0.000 0.562 125 A N 0.628 123.488 122.820 0.067 0.000 2.531 125 A HA 0.159 4.457 4.320 -0.036 0.000 0.236 125 A C 0.613 178.254 177.584 0.096 0.000 1.062 125 A CA 0.120 52.181 52.037 0.041 0.000 0.760 125 A CB -0.008 19.098 19.000 0.176 0.000 0.995 125 A HN 0.415 nan 8.150 nan 0.000 0.501 126 M N 2.198 121.822 119.600 0.040 0.000 2.255 126 M HA 0.217 4.675 4.480 -0.036 0.000 0.336 126 M C -0.000 176.320 176.300 0.035 0.000 1.135 126 M CA 0.181 55.519 55.300 0.063 0.000 1.145 126 M CB 0.262 32.908 32.600 0.077 0.000 1.473 126 M HN 0.668 nan 8.290 nan 0.000 0.462 127 N N 0.989 119.643 118.700 -0.077 0.000 2.399 127 N HA 0.324 5.043 4.740 -0.036 0.000 0.284 127 N C -0.872 174.375 175.510 -0.438 0.000 1.025 127 N CA -0.239 52.636 53.050 -0.293 0.000 0.885 127 N CB 1.916 40.034 38.487 -0.615 0.000 1.339 127 N HN 0.635 nan 8.380 nan 0.000 0.487 128 S N 1.466 117.029 115.700 -0.228 0.000 2.652 128 S HA 0.359 4.808 4.470 -0.036 0.000 0.270 128 S C -0.041 174.555 174.600 -0.006 0.000 1.243 128 S CA -0.713 57.441 58.200 -0.078 0.000 0.999 128 S CB 1.578 64.761 63.200 -0.027 0.000 0.973 128 S HN 0.555 nan 8.310 nan 0.000 0.544 129 N N 0.708 119.469 118.700 0.100 0.000 2.617 129 N HA 0.256 4.975 4.740 -0.036 0.000 0.263 129 N C -0.596 174.424 175.510 -0.816 0.000 1.074 129 N CA -0.371 52.334 53.050 -0.574 0.000 0.841 129 N CB 1.276 39.281 38.487 -0.803 0.000 1.221 129 N HN 0.853 nan 8.380 nan 0.000 0.529 130 T N -0.001 114.117 114.554 -0.727 0.000 3.380 130 T HA 0.225 4.553 4.350 -0.036 0.000 0.289 130 T C 0.376 174.683 174.700 -0.656 0.000 1.012 130 T CA -0.489 61.062 62.100 -0.916 0.000 0.944 130 T CB -1.203 67.044 68.868 -1.035 0.000 1.172 130 T HN 0.251 nan 8.240 nan 0.000 0.502 131 F N 0.468 120.252 119.950 -0.278 0.000 2.654 131 F HA 0.665 5.168 4.527 -0.039 0.000 0.303 131 F C 0.130 175.925 175.800 -0.009 0.000 1.099 131 F CA -1.122 56.769 58.000 -0.181 0.000 1.270 131 F CB -0.247 38.607 39.000 -0.244 0.000 1.024 131 F HN 0.310 nan 8.300 nan 0.000 0.548 132 S N -1.253 114.394 115.700 -0.088 0.000 2.547 132 S HA 0.446 4.895 4.470 -0.036 0.000 0.270 132 S C -1.732 172.898 174.600 0.049 0.000 1.150 132 S CA -0.958 57.270 58.200 0.047 0.000 0.850 132 S CB 1.991 65.239 63.200 0.080 0.000 1.118 132 S HN 0.018 nan 8.310 nan 0.000 0.461 133 D N 1.392 121.819 120.400 0.045 0.000 2.225 133 D HA 0.686 5.305 4.640 -0.036 0.000 0.248 133 D C 0.181 176.466 176.300 -0.025 0.000 1.096 133 D CA 0.044 54.029 54.000 -0.025 0.000 0.863 133 D CB 1.705 42.460 40.800 -0.074 0.000 1.156 133 D HN 0.852 nan 8.370 nan 0.000 0.450 134 A N 2.986 125.775 122.820 -0.053 0.000 2.281 134 A HA 0.691 4.990 4.320 -0.036 0.000 0.329 134 A C -2.370 175.192 177.584 -0.037 0.000 1.122 134 A CA -1.362 50.661 52.037 -0.024 0.000 0.850 134 A CB 0.297 19.282 19.000 -0.026 0.000 1.207 134 A HN 0.323 nan 8.150 nan 0.000 0.495 135 P HA 0.336 nan 4.420 nan 0.000 0.269 135 P C 0.835 178.112 177.300 -0.038 0.000 1.209 135 P CA 1.691 64.778 63.100 -0.022 0.000 0.776 135 P CB 0.609 32.308 31.700 -0.002 0.000 0.876 136 G N 0.690 109.459 108.800 -0.050 0.000 2.155 136 G HA2 -0.273 3.666 3.960 -0.036 0.000 0.257 136 G HA3 -0.273 3.666 3.960 -0.036 0.000 0.257 136 G C 0.043 174.888 174.900 -0.092 0.000 0.983 136 G CA -0.257 44.806 45.100 -0.061 0.000 0.676 136 G HN 0.600 nan 8.290 nan 0.000 0.528 137 Q N -0.562 119.164 119.800 -0.123 0.000 2.314 137 Q HA 0.586 4.904 4.340 -0.036 0.000 0.258 137 Q C 1.569 177.431 176.000 -0.230 0.000 0.954 137 Q CA 0.123 55.819 55.803 -0.179 0.000 0.890 137 Q CB 1.260 29.850 28.738 -0.248 0.000 1.210 137 Q HN 0.489 nan 8.270 nan 0.000 0.410 138 A N 3.642 126.286 122.820 -0.293 0.000 2.014 138 A HA -0.054 4.245 4.320 -0.036 0.000 0.218 138 A C 0.264 177.409 177.584 -0.733 0.000 1.163 138 A CA 0.987 52.734 52.037 -0.484 0.000 0.652 138 A CB 0.171 18.842 19.000 -0.548 0.000 0.808 138 A HN 0.653 nan 8.150 nan 0.000 0.449 139 H N -0.956 117.977 119.070 -0.229 0.000 2.600 139 H HA 0.439 4.974 4.556 -0.036 0.000 0.357 139 H C -0.788 174.274 175.328 -0.444 0.000 1.106 139 H CA -0.595 55.282 56.048 -0.285 0.000 1.193 139 H CB 1.596 31.188 29.762 -0.283 0.000 1.594 139 H HN 0.173 nan 8.280 nan 0.000 0.526 140 S N 1.322 116.900 115.700 -0.202 0.000 2.586 140 S HA 0.153 4.602 4.470 -0.036 0.000 0.274 140 S C -0.084 174.396 174.600 -0.200 0.000 1.281 140 S CA -0.409 57.645 58.200 -0.243 0.000 1.035 140 S CB 0.270 63.414 63.200 -0.092 0.000 0.962 140 S HN 0.455 nan 8.310 nan 0.000 0.512 141 Y N 2.655 122.948 120.300 -0.012 0.000 2.532 141 Y HA 0.320 4.849 4.550 -0.035 0.000 0.283 141 Y C 1.771 177.679 175.900 0.014 0.000 1.181 141 Y CA -0.504 57.608 58.100 0.020 0.000 1.256 141 Y CB -0.388 38.050 38.460 -0.036 0.000 1.112 141 Y HN 0.723 nan 8.280 nan 0.000 0.521 142 K N 0.006 120.433 120.400 0.045 0.000 2.074 142 K HA -0.213 4.086 4.320 -0.036 0.000 0.209 142 K C 0.244 176.702 176.600 -0.237 0.000 1.048 142 K CA 1.884 58.061 56.287 -0.183 0.000 0.926 142 K CB -0.153 32.081 32.500 -0.442 0.000 0.713 142 K HN 0.318 nan 8.250 nan 0.000 0.444 143 Y N -0.209 120.206 120.300 0.191 0.000 2.571 143 Y HA 0.351 4.880 4.550 -0.035 0.000 0.275 143 Y C 0.569 176.485 175.900 0.027 0.000 1.179 143 Y CA 0.134 58.273 58.100 0.064 0.000 1.242 143 Y CB 1.083 39.511 38.460 -0.053 0.000 1.126 143 Y HN 0.296 nan 8.280 nan 0.000 0.524 144 G N -0.757 108.214 108.800 0.285 0.000 2.353 144 G HA2 0.243 4.181 3.960 -0.036 0.000 0.424 144 G HA3 0.243 4.181 3.960 -0.036 0.000 0.424 144 G C -0.079 175.027 174.900 0.344 0.000 1.320 144 G CA -0.236 45.002 45.100 0.231 0.000 0.995 144 G HN 0.259 nan 8.290 nan 0.000 0.580 145 S N -1.204 114.593 115.700 0.162 0.000 4.163 145 S HA 0.338 4.787 4.470 -0.036 0.000 0.164 145 S C 1.958 176.595 174.600 0.062 0.000 0.896 145 S CA 0.555 58.772 58.200 0.029 0.000 1.125 145 S CB -0.232 62.688 63.200 -0.468 0.000 1.698 145 S HN 0.884 nan 8.310 nan 0.000 0.817 146 L N 2.846 124.065 121.223 -0.007 0.000 2.362 146 L HA 0.109 4.427 4.340 -0.036 0.000 0.219 146 L C 1.973 178.898 176.870 0.093 0.000 1.134 146 L CA 1.348 56.194 54.840 0.009 0.000 0.807 146 L CB -0.429 41.594 42.059 -0.061 0.000 0.927 146 L HN 0.705 nan 8.230 nan 0.000 0.447 147 S N -3.315 112.482 115.700 0.161 0.000 2.650 147 S HA 0.062 4.511 4.470 -0.036 0.000 0.240 147 S C 0.610 175.302 174.600 0.152 0.000 1.007 147 S CA -0.618 57.687 58.200 0.175 0.000 0.984 147 S CB -0.286 63.042 63.200 0.214 0.000 0.910 147 S HN 0.286 nan 8.310 nan 0.000 0.509 148 H N 2.939 122.058 119.070 0.082 0.000 2.897 148 H HA 0.071 4.605 4.556 -0.036 0.000 0.347 148 H C 1.630 176.989 175.328 0.051 0.000 1.068 148 H CA 1.645 57.746 56.048 0.087 0.000 1.426 148 H CB 1.514 31.340 29.762 0.106 0.000 1.410 148 H HN 0.458 nan 8.280 nan 0.000 0.597 149 T N 1.184 115.752 114.554 0.023 0.000 2.881 149 T HA -0.194 4.135 4.350 -0.036 0.000 0.270 149 T C 0.963 175.772 174.700 0.182 0.000 1.068 149 T CA 0.851 62.996 62.100 0.076 0.000 1.131 149 T CB -0.130 68.720 68.868 -0.030 0.000 0.871 149 T HN 0.448 nan 8.240 nan 0.000 0.479 150 N N 1.197 120.159 118.700 0.437 0.000 2.401 150 N HA 0.512 5.231 4.740 -0.036 0.000 0.255 150 N C 1.137 176.641 175.510 -0.010 0.000 1.110 150 N CA 0.366 53.492 53.050 0.127 0.000 0.949 150 N CB 0.905 39.368 38.487 -0.038 0.000 1.110 150 N HN 0.251 nan 8.380 nan 0.000 0.490 151 A N 3.951 126.753 122.820 -0.029 0.000 1.948 151 A HA -0.182 4.116 4.320 -0.036 0.000 0.220 151 A C 2.094 179.616 177.584 -0.103 0.000 1.177 151 A CA 2.006 54.015 52.037 -0.045 0.000 0.636 151 A CB -1.075 17.905 19.000 -0.033 0.000 0.815 151 A HN 0.764 nan 8.150 nan 0.000 0.449 152 A N -1.265 121.439 122.820 -0.193 0.000 1.969 152 A HA -0.044 4.255 4.320 -0.036 0.000 0.218 152 A C 2.259 179.612 177.584 -0.385 0.000 1.169 152 A CA 2.161 54.036 52.037 -0.271 0.000 0.635 152 A CB -1.045 17.745 19.000 -0.350 0.000 0.810 152 A HN 0.449 nan 8.150 nan 0.000 0.445 153 T N -0.305 113.950 114.554 -0.499 0.000 2.812 153 T HA -0.091 4.238 4.350 -0.036 0.000 0.264 153 T C 2.033 176.710 174.700 -0.037 0.000 1.042 153 T CA 1.302 63.194 62.100 -0.345 0.000 1.140 153 T CB -0.198 68.334 68.868 -0.560 0.000 0.870 153 T HN 0.520 nan 8.240 nan 0.000 0.445 154 R N 1.188 121.671 120.500 -0.029 0.000 2.092 154 R HA 0.077 4.395 4.340 -0.036 0.000 0.231 154 R C 2.833 179.138 176.300 0.008 0.000 1.119 154 R CA 1.230 57.342 56.100 0.020 0.000 0.970 154 R CB -0.499 29.809 30.300 0.013 0.000 0.864 154 R HN 0.354 nan 8.270 nan 0.000 0.440 155 A N 1.275 124.087 122.820 -0.012 0.000 1.902 155 A HA -0.242 4.057 4.320 -0.036 0.000 0.217 155 A C 2.143 179.748 177.584 0.034 0.000 1.181 155 A CA 1.388 53.424 52.037 -0.001 0.000 0.623 155 A CB -0.496 18.498 19.000 -0.011 0.000 0.818 155 A HN 0.384 nan 8.150 nan 0.000 0.443 156 Q N -0.547 119.294 119.800 0.069 0.000 2.084 156 Q HA -0.109 4.209 4.340 -0.036 0.000 0.202 156 Q C 2.142 178.243 176.000 0.168 0.000 0.978 156 Q CA 1.519 57.395 55.803 0.122 0.000 0.844 156 Q CB -0.324 28.510 28.738 0.160 0.000 0.898 156 Q HN 0.593 nan 8.270 nan 0.000 0.426 157 A N -0.058 122.870 122.820 0.179 0.000 1.930 157 A HA -0.096 4.203 4.320 -0.036 0.000 0.217 157 A C 2.189 179.809 177.584 0.060 0.000 1.175 157 A CA 1.293 53.392 52.037 0.103 0.000 0.627 157 A CB -0.598 18.379 19.000 -0.039 0.000 0.815 157 A HN 0.299 nan 8.150 nan 0.000 0.443 158 V N 0.102 120.030 119.914 0.023 0.000 2.295 158 V HA -0.237 3.862 4.120 -0.036 0.000 0.246 158 V C 2.636 178.724 176.094 -0.009 0.000 1.049 158 V CA 2.427 64.718 62.300 -0.016 0.000 1.024 158 V CB -0.633 31.171 31.823 -0.033 0.000 0.648 158 V HN 0.706 nan 8.190 nan 0.000 0.447 159 E N -0.111 120.101 120.200 0.019 0.000 2.118 159 E HA -0.264 4.065 4.350 -0.036 0.000 0.195 159 E C 2.199 178.809 176.600 0.017 0.000 0.992 159 E CA 1.744 58.149 56.400 0.009 0.000 0.804 159 E CB -0.515 29.200 29.700 0.026 0.000 0.741 159 E HN 0.758 nan 8.360 nan 0.000 0.458 160 H N 0.074 119.129 119.070 -0.025 0.000 2.321 160 H HA -0.083 4.451 4.556 -0.038 0.000 0.300 160 H C 1.664 176.953 175.328 -0.065 0.000 1.087 160 H CA 1.674 57.700 56.048 -0.037 0.000 1.319 160 H CB 0.030 29.776 29.762 -0.025 0.000 1.379 160 H HN 0.202 nan 8.280 nan 0.000 0.501 161 N N 0.701 119.295 118.700 -0.177 0.000 2.166 161 N HA -0.116 4.602 4.740 -0.036 0.000 0.186 161 N C 2.341 177.726 175.510 -0.209 0.000 1.019 161 N CA 0.925 53.837 53.050 -0.229 0.000 0.856 161 N CB -0.051 38.373 38.487 -0.105 0.000 0.993 161 N HN 0.384 nan 8.380 nan 0.000 0.426 162 L N 1.235 122.362 121.223 -0.160 0.000 2.131 162 L HA -0.126 4.193 4.340 -0.036 0.000 0.210 162 L C 2.461 179.222 176.870 -0.182 0.000 1.092 162 L CA 0.998 55.738 54.840 -0.166 0.000 0.759 162 L CB -0.330 41.653 42.059 -0.126 0.000 0.903 162 L HN 0.233 nan 8.230 nan 0.000 0.435 163 E N -0.265 119.830 120.200 -0.177 0.000 2.106 163 E HA -0.217 4.112 4.350 -0.036 0.000 0.192 163 E C 2.306 178.797 176.600 -0.182 0.000 0.984 163 E CA 1.348 57.653 56.400 -0.159 0.000 0.806 163 E CB 0.051 29.674 29.700 -0.128 0.000 0.750 163 E HN 0.544 nan 8.360 nan 0.000 0.458 164 C N 0.399 119.549 119.300 -0.250 0.000 2.422 164 C HA -0.065 4.374 4.460 -0.036 0.000 0.279 164 C C 2.493 177.430 174.990 -0.089 0.000 1.305 164 C CA 0.292 59.196 59.018 -0.190 0.000 1.757 164 C CB -0.800 26.793 27.740 -0.246 0.000 1.962 164 C HN 0.483 nan 8.230 nan 0.000 0.499 165 I N 0.566 121.039 120.570 -0.161 0.000 2.353 165 I HA -0.132 4.017 4.170 -0.036 0.000 0.248 165 I C 2.561 178.500 176.117 -0.297 0.000 1.119 165 I CA 1.195 62.311 61.300 -0.307 0.000 1.417 165 I CB -0.522 37.169 38.000 -0.515 0.000 1.078 165 I HN 0.295 nan 8.210 nan 0.000 0.421 166 E N 0.945 121.014 120.200 -0.219 0.000 2.077 166 E HA -0.170 4.159 4.350 -0.036 0.000 0.193 166 E C 2.276 178.820 176.600 -0.093 0.000 0.989 166 E CA 1.296 57.598 56.400 -0.164 0.000 0.800 166 E CB -0.192 29.428 29.700 -0.133 0.000 0.746 166 E HN 0.528 nan 8.360 nan 0.000 0.452 167 I N 0.508 121.034 120.570 -0.073 0.000 2.202 167 I HA -0.171 3.977 4.170 -0.036 0.000 0.242 167 I C 2.492 178.599 176.117 -0.016 0.000 1.091 167 I CA 1.273 62.541 61.300 -0.053 0.000 1.368 167 I CB -0.556 37.406 38.000 -0.063 0.000 1.058 167 I HN 0.111 nan 8.210 nan 0.000 0.410 168 G N 0.855 109.703 108.800 0.081 0.000 2.418 168 G HA2 -0.231 3.707 3.960 -0.036 0.000 0.217 168 G HA3 -0.231 3.707 3.960 -0.036 0.000 0.217 168 G C 1.728 176.811 174.900 0.305 0.000 1.158 168 G CA 0.571 45.811 45.100 0.233 0.000 0.771 168 G HN 0.312 nan 8.290 nan 0.000 0.545 169 K N 0.524 121.081 120.400 0.262 0.000 2.097 169 K HA 0.032 4.330 4.320 -0.036 0.000 0.206 169 K C 2.885 179.545 176.600 0.100 0.000 1.049 169 K CA 0.953 57.360 56.287 0.201 0.000 0.933 169 K CB -0.174 32.305 32.500 -0.035 0.000 0.717 169 K HN 0.287 nan 8.250 nan 0.000 0.442 170 A N 1.696 124.537 122.820 0.035 0.000 1.969 170 A HA -0.090 4.209 4.320 -0.036 0.000 0.218 170 A C 2.033 179.624 177.584 0.010 0.000 1.169 170 A CA 1.159 53.201 52.037 0.009 0.000 0.635 170 A CB -0.545 18.444 19.000 -0.019 0.000 0.810 170 A HN 0.464 nan 8.150 nan 0.000 0.445 171 I N -5.672 114.887 120.570 -0.019 0.000 3.860 171 I HA 0.483 4.631 4.170 -0.036 0.000 0.319 171 I C 1.203 177.389 176.117 0.114 0.000 1.279 171 I CA 0.807 62.075 61.300 -0.053 0.000 1.220 171 I CB 0.350 38.081 38.000 -0.448 0.000 1.027 171 I HN 0.333 nan 8.210 nan 0.000 0.428 172 G N 1.263 110.135 108.800 0.121 0.000 2.192 172 G HA2 -0.243 3.696 3.960 -0.036 0.000 0.193 172 G HA3 -0.243 3.696 3.960 -0.036 0.000 0.193 172 G C 0.354 175.308 174.900 0.089 0.000 0.999 172 G CA 0.165 45.346 45.100 0.135 0.000 0.659 172 G HN 0.504 nan 8.290 nan 0.000 0.503 173 S N -0.143 115.603 115.700 0.076 0.000 2.584 173 S HA 0.578 5.026 4.470 -0.036 0.000 0.270 173 S C 0.957 175.283 174.600 -0.456 0.000 1.346 173 S CA 0.449 58.581 58.200 -0.113 0.000 1.018 173 S CB 0.744 63.891 63.200 -0.088 0.000 0.899 173 S HN 0.197 nan 8.310 nan 0.000 0.542 174 K N 1.128 121.002 120.400 -0.877 0.000 2.564 174 K HA 0.459 4.757 4.320 -0.036 0.000 0.201 174 K C -0.557 175.020 176.600 -1.705 0.000 1.086 174 K CA 0.004 55.427 56.287 -1.440 0.000 1.062 174 K CB 0.774 32.905 32.500 -0.615 0.000 0.849 174 K HN 0.603 nan 8.250 nan 0.000 0.529 175 A N 0.747 122.585 122.820 -1.637 0.000 2.608 175 A HA 0.664 4.963 4.320 -0.036 0.000 0.292 175 A C -2.135 175.169 177.584 -0.468 0.000 1.066 175 A CA -0.742 50.741 52.037 -0.923 0.000 0.676 175 A CB 1.283 19.901 19.000 -0.637 0.000 1.277 175 A HN 0.088 nan 8.150 nan 0.000 0.413 176 L N 0.680 121.805 121.223 -0.164 0.000 2.376 176 L HA 0.776 5.094 4.340 -0.036 0.000 0.275 176 L C -0.574 176.305 176.870 0.015 0.000 0.987 176 L CA 0.255 55.116 54.840 0.035 0.000 0.828 176 L CB 2.021 44.171 42.059 0.150 0.000 1.249 176 L HN 0.638 nan 8.230 nan 0.000 0.409 177 T N 4.546 119.167 114.554 0.111 0.000 2.795 177 T HA 0.606 4.934 4.350 -0.036 0.000 0.282 177 T C -0.609 174.180 174.700 0.148 0.000 0.980 177 T CA -0.312 61.908 62.100 0.200 0.000 1.012 177 T CB 1.293 70.315 68.868 0.257 0.000 0.936 177 T HN 0.384 nan 8.240 nan 0.000 0.457 178 V N 4.333 124.353 119.914 0.178 0.000 2.326 178 V HA 0.447 4.546 4.120 -0.036 0.000 0.281 178 V C -0.969 175.275 176.094 0.250 0.000 1.015 178 V CA -0.988 61.413 62.300 0.168 0.000 0.823 178 V CB 0.927 32.822 31.823 0.121 0.000 1.009 178 V HN 0.913 nan 8.190 nan 0.000 0.436 179 W N 8.320 129.690 121.300 0.117 0.000 2.600 179 W HA 0.818 5.464 4.660 -0.024 0.000 0.325 179 W C -0.780 175.828 176.519 0.148 0.000 1.034 179 W CA -0.931 56.477 57.345 0.106 0.000 1.226 179 W CB 1.338 30.843 29.460 0.074 0.000 1.379 179 W HN 0.601 nan 8.180 nan 0.000 0.466 180 I N 2.756 122.746 120.570 -0.966 0.000 3.002 180 I HA 0.816 4.964 4.170 -0.036 0.000 0.310 180 I C 0.756 176.087 176.117 -1.309 0.000 1.087 180 I CA -1.210 59.564 61.300 -0.876 0.000 1.017 180 I CB 2.170 39.974 38.000 -0.325 0.000 1.226 180 I HN 0.642 nan 8.210 nan 0.000 0.443 181 G N 1.177 109.459 108.800 -0.862 0.000 3.088 181 G HA2 0.074 4.013 3.960 -0.036 0.000 0.217 181 G HA3 0.074 4.013 3.960 -0.036 0.000 0.217 181 G C -0.039 174.689 174.900 -0.286 0.000 1.159 181 G CA -0.146 44.609 45.100 -0.575 0.000 0.760 181 G HN 0.723 nan 8.290 nan 0.000 0.550 182 D N 0.894 121.154 120.400 -0.234 0.000 2.658 182 D HA 0.401 5.020 4.640 -0.036 0.000 0.230 182 D C 0.949 177.198 176.300 -0.086 0.000 1.118 182 D CA 1.881 55.819 54.000 -0.103 0.000 0.848 182 D CB 0.851 41.623 40.800 -0.047 0.000 1.160 182 D HN 0.386 nan 8.370 nan 0.000 0.497 183 G N 0.061 108.846 108.800 -0.025 0.000 2.360 183 G HA2 0.499 4.437 3.960 -0.036 0.000 0.276 183 G HA3 0.499 4.437 3.960 -0.036 0.000 0.276 183 G C -1.372 173.571 174.900 0.070 0.000 1.256 183 G CA -0.163 44.939 45.100 0.003 0.000 0.890 183 G HN 0.800 nan 8.290 nan 0.000 0.486 184 S N -1.256 114.512 115.700 0.114 0.000 2.588 184 S HA 0.663 5.112 4.470 -0.036 0.000 0.275 184 S C -0.446 174.265 174.600 0.185 0.000 1.130 184 S CA -0.717 57.599 58.200 0.192 0.000 0.855 184 S CB 2.218 65.594 63.200 0.293 0.000 1.116 184 S HN 0.437 nan 8.310 nan 0.000 0.472 185 N N -0.367 118.400 118.700 0.111 0.000 2.184 185 N HA 0.419 5.138 4.740 -0.036 0.000 0.206 185 N C -1.523 173.657 175.510 -0.549 0.000 1.151 185 N CA 0.145 53.105 53.050 -0.151 0.000 0.878 185 N CB 0.059 38.365 38.487 -0.302 0.000 1.014 185 N HN 0.577 nan 8.380 nan 0.000 0.512 186 F N -0.017 120.012 119.950 0.132 0.000 2.581 186 F HA 0.437 4.943 4.527 -0.035 0.000 0.311 186 F C -2.319 173.289 175.800 -0.321 0.000 1.113 186 F CA -2.435 55.498 58.000 -0.112 0.000 0.935 186 F CB 1.916 40.883 39.000 -0.054 0.000 1.232 186 F HN -0.288 nan 8.300 nan 0.000 0.445 187 P HA 0.247 nan 4.420 nan 0.000 0.268 187 P C 0.699 177.909 177.300 -0.150 0.000 1.204 187 P CA 1.183 63.960 63.100 -0.538 0.000 0.768 187 P CB 0.781 32.189 31.700 -0.487 0.000 0.842 188 G N 2.211 110.941 108.800 -0.117 0.000 2.299 188 G HA2 -0.358 3.580 3.960 -0.036 0.000 0.237 188 G HA3 -0.358 3.580 3.960 -0.036 0.000 0.237 188 G C 1.301 176.160 174.900 -0.070 0.000 1.027 188 G CA 0.485 45.521 45.100 -0.108 0.000 0.619 188 G HN 0.565 nan 8.290 nan 0.000 0.513 189 Q N 0.691 120.496 119.800 0.008 0.000 2.112 189 Q HA 0.054 4.372 4.340 -0.036 0.000 0.206 189 Q C 0.898 176.899 176.000 0.001 0.000 0.987 189 Q CA 1.841 57.667 55.803 0.039 0.000 0.858 189 Q CB -0.106 28.734 28.738 0.169 0.000 0.905 189 Q HN 0.554 nan 8.270 nan 0.000 0.420 190 S N 0.693 116.394 115.700 0.001 0.000 2.536 190 S HA 0.286 4.735 4.470 -0.036 0.000 0.298 190 S C -0.831 173.680 174.600 -0.149 0.000 1.083 190 S CA -0.896 57.292 58.200 -0.020 0.000 0.995 190 S CB 1.544 64.798 63.200 0.091 0.000 1.058 190 S HN 0.326 nan 8.310 nan 0.000 0.488 191 N N 2.053 120.699 118.700 -0.091 0.000 2.437 191 N HA 0.141 4.859 4.740 -0.036 0.000 0.243 191 N C 0.391 175.910 175.510 0.014 0.000 1.041 191 N CA -0.303 52.675 53.050 -0.119 0.000 0.940 191 N CB 0.068 38.528 38.487 -0.045 0.000 1.133 191 N HN 0.382 nan 8.380 nan 0.000 0.506 192 F N 2.167 122.142 119.950 0.041 0.000 2.063 192 F HA -0.218 4.288 4.527 -0.035 0.000 0.298 192 F C 2.438 178.271 175.800 0.055 0.000 1.109 192 F CA 1.351 59.365 58.000 0.023 0.000 1.212 192 F CB -1.222 37.775 39.000 -0.006 0.000 0.973 192 F HN 0.425 nan 8.300 nan 0.000 0.480 193 T N 0.071 114.784 114.554 0.264 0.000 2.737 193 T HA -0.114 4.215 4.350 -0.036 0.000 0.265 193 T C 2.127 176.933 174.700 0.177 0.000 1.038 193 T CA 1.106 63.334 62.100 0.214 0.000 1.144 193 T CB -0.177 68.780 68.868 0.149 0.000 0.866 193 T HN 0.164 nan 8.240 nan 0.000 0.434 194 R N 1.106 121.676 120.500 0.116 0.000 2.096 194 R HA 0.045 4.364 4.340 -0.036 0.000 0.235 194 R C 2.776 179.140 176.300 0.107 0.000 1.127 194 R CA 1.244 57.393 56.100 0.081 0.000 0.968 194 R CB -0.579 29.747 30.300 0.043 0.000 0.861 194 R HN 0.380 nan 8.270 nan 0.000 0.440 195 A N 0.991 123.895 122.820 0.140 0.000 1.902 195 A HA -0.188 4.111 4.320 -0.036 0.000 0.217 195 A C 1.916 179.641 177.584 0.236 0.000 1.181 195 A CA 1.069 53.200 52.037 0.157 0.000 0.623 195 A CB -0.576 18.517 19.000 0.156 0.000 0.818 195 A HN 0.292 nan 8.150 nan 0.000 0.443 196 F N 1.114 121.101 119.950 0.062 0.000 2.186 196 F HA -0.056 4.449 4.527 -0.037 0.000 0.299 196 F C 2.100 177.964 175.800 0.107 0.000 1.090 196 F CA 1.597 59.629 58.000 0.053 0.000 1.307 196 F CB -0.476 38.525 39.000 0.001 0.000 1.019 196 F HN 0.401 nan 8.300 nan 0.000 0.489 197 E N -0.199 120.015 120.200 0.022 0.000 2.077 197 E HA -0.202 4.126 4.350 -0.036 0.000 0.193 197 E C 2.339 178.910 176.600 -0.049 0.000 0.989 197 E CA 1.084 57.427 56.400 -0.095 0.000 0.800 197 E CB -0.200 29.480 29.700 -0.033 0.000 0.746 197 E HN 0.398 nan 8.360 nan 0.000 0.452 198 R N 0.056 120.577 120.500 0.034 0.000 2.083 198 R HA -0.192 4.126 4.340 -0.036 0.000 0.237 198 R C 2.380 178.708 176.300 0.047 0.000 1.137 198 R CA 1.619 57.743 56.100 0.040 0.000 0.951 198 R CB -0.529 29.816 30.300 0.075 0.000 0.851 198 R HN 0.284 nan 8.270 nan 0.000 0.434 199 Y N 1.672 121.958 120.300 -0.023 0.000 2.128 199 Y HA -0.208 4.320 4.550 -0.038 0.000 0.284 199 Y C 2.013 177.856 175.900 -0.094 0.000 1.154 199 Y CA 1.534 59.624 58.100 -0.017 0.000 1.149 199 Y CB -0.324 38.187 38.460 0.085 0.000 0.976 199 Y HN -0.045 nan 8.280 nan 0.000 0.505 200 L N -0.787 120.392 121.223 -0.072 0.000 2.131 200 L HA -0.235 4.084 4.340 -0.036 0.000 0.210 200 L C 2.822 179.566 176.870 -0.211 0.000 1.092 200 L CA 1.613 56.319 54.840 -0.223 0.000 0.759 200 L CB -0.751 41.088 42.059 -0.366 0.000 0.903 200 L HN 0.269 nan 8.230 nan 0.000 0.435 201 S N -0.487 115.117 115.700 -0.159 0.000 2.371 201 S HA -0.119 4.330 4.470 -0.036 0.000 0.224 201 S C 2.124 176.644 174.600 -0.133 0.000 1.029 201 S CA 1.109 59.234 58.200 -0.125 0.000 0.978 201 S CB -0.014 63.136 63.200 -0.084 0.000 0.833 201 S HN 0.431 nan 8.310 nan 0.000 0.466 202 A N 1.981 124.707 122.820 -0.158 0.000 1.873 202 A HA 0.009 4.308 4.320 -0.036 0.000 0.215 202 A C 2.264 179.726 177.584 -0.203 0.000 1.186 202 A CA 1.565 53.505 52.037 -0.163 0.000 0.616 202 A CB -0.613 18.287 19.000 -0.167 0.000 0.823 202 A HN 0.536 nan 8.150 nan 0.000 0.442 203 M N -0.337 119.067 119.600 -0.326 0.000 2.213 203 M HA -0.111 4.347 4.480 -0.036 0.000 0.263 203 M C 2.459 178.690 176.300 -0.115 0.000 1.062 203 M CA 1.420 56.556 55.300 -0.273 0.000 1.105 203 M CB -1.397 30.959 32.600 -0.408 0.000 1.385 203 M HN 0.512 nan 8.290 nan 0.000 0.417 204 A N 0.157 122.900 122.820 -0.129 0.000 1.933 204 A HA -0.176 4.123 4.320 -0.036 0.000 0.218 204 A C 2.086 179.662 177.584 -0.014 0.000 1.175 204 A CA 1.616 53.602 52.037 -0.084 0.000 0.628 204 A CB -0.600 18.327 19.000 -0.122 0.000 0.814 204 A HN 0.558 nan 8.150 nan 0.000 0.444 205 E N -0.347 119.825 120.200 -0.047 0.000 2.072 205 E HA -0.137 4.191 4.350 -0.036 0.000 0.191 205 E C 1.916 178.499 176.600 -0.028 0.000 0.985 205 E CA 1.217 57.595 56.400 -0.036 0.000 0.801 205 E CB -0.293 29.375 29.700 -0.054 0.000 0.750 205 E HN 0.711 nan 8.360 nan 0.000 0.452 206 I N 0.392 120.937 120.570 -0.041 0.000 2.286 206 I HA -0.286 3.862 4.170 -0.036 0.000 0.248 206 I C 2.401 178.500 176.117 -0.030 0.000 1.115 206 I CA 1.042 62.309 61.300 -0.055 0.000 1.392 206 I CB -0.315 37.645 38.000 -0.068 0.000 1.065 206 I HN 0.131 nan 8.210 nan 0.000 0.418 207 Y N 2.129 122.371 120.300 -0.098 0.000 2.256 207 Y HA -0.262 4.266 4.550 -0.036 0.000 0.288 207 Y C 2.374 178.226 175.900 -0.081 0.000 1.155 207 Y CA 1.658 59.711 58.100 -0.079 0.000 1.203 207 Y CB -0.163 38.255 38.460 -0.070 0.000 0.980 207 Y HN 0.024 nan 8.280 nan 0.000 0.530 208 K N -1.033 119.418 120.400 0.084 0.000 2.283 208 K HA -0.046 4.252 4.320 -0.036 0.000 0.202 208 K C 1.860 178.404 176.600 -0.093 0.000 1.048 208 K CA 0.928 57.224 56.287 0.014 0.000 0.948 208 K CB -0.315 32.193 32.500 0.012 0.000 0.742 208 K HN 0.395 nan 8.250 nan 0.000 0.458 209 G N 0.526 109.243 108.800 -0.139 0.000 3.233 209 G HA2 0.048 3.986 3.960 -0.036 0.000 0.227 209 G HA3 0.048 3.986 3.960 -0.036 0.000 0.227 209 G C -0.137 174.581 174.900 -0.303 0.000 1.175 209 G CA -0.323 44.658 45.100 -0.199 0.000 0.781 209 G HN -0.011 nan 8.290 nan 0.000 0.542 210 L N 1.766 122.802 121.223 -0.312 0.000 2.313 210 L HA 0.416 4.735 4.340 -0.036 0.000 0.282 210 L C -1.883 174.788 176.870 -0.331 0.000 1.092 210 L CA -2.118 52.500 54.840 -0.370 0.000 0.831 210 L CB 1.241 43.062 42.059 -0.396 0.000 1.159 210 L HN -0.096 nan 8.230 nan 0.000 0.442 211 P HA 0.062 nan 4.420 nan 0.000 0.271 211 P C 0.090 177.343 177.300 -0.078 0.000 1.244 211 P CA -0.233 62.709 63.100 -0.265 0.000 0.793 211 P CB 0.590 32.072 31.700 -0.363 0.000 0.984 212 D N -0.011 120.369 120.400 -0.033 0.000 2.149 212 D HA -0.150 4.469 4.640 -0.036 0.000 0.198 212 D C 0.766 177.092 176.300 0.043 0.000 0.990 212 D CA 1.515 55.514 54.000 -0.001 0.000 0.839 212 D CB -0.420 40.381 40.800 0.003 0.000 0.948 212 D HN 0.514 nan 8.370 nan 0.000 0.460 213 D N -1.543 118.921 120.400 0.107 0.000 2.525 213 D HA 0.004 4.622 4.640 -0.036 0.000 0.229 213 D C -0.253 176.127 176.300 0.133 0.000 1.202 213 D CA -0.522 53.537 54.000 0.099 0.000 0.828 213 D CB -0.714 40.130 40.800 0.073 0.000 1.008 213 D HN 0.093 nan 8.370 nan 0.000 0.493 214 W N 0.953 122.174 121.300 -0.131 0.000 2.497 214 W HA 0.491 5.134 4.660 -0.028 0.000 0.359 214 W C 0.441 176.822 176.519 -0.230 0.000 1.131 214 W CA -0.645 56.594 57.345 -0.176 0.000 1.280 214 W CB 1.353 30.695 29.460 -0.196 0.000 1.319 214 W HN -0.404 nan 8.180 nan 0.000 0.626 215 K N 1.971 122.254 120.400 -0.194 0.000 2.385 215 K HA 0.597 4.895 4.320 -0.036 0.000 0.248 215 K C -1.758 174.525 176.600 -0.528 0.000 0.955 215 K CA -1.283 54.770 56.287 -0.391 0.000 0.816 215 K CB 2.258 34.384 32.500 -0.624 0.000 1.250 215 K HN 0.372 nan 8.250 nan 0.000 0.434 216 L N 2.656 123.623 121.223 -0.428 0.000 2.343 216 L HA 0.500 4.819 4.340 -0.036 0.000 0.278 216 L C -1.661 175.109 176.870 -0.166 0.000 0.996 216 L CA -0.343 54.338 54.840 -0.264 0.000 0.831 216 L CB 0.523 42.553 42.059 -0.049 0.000 1.232 216 L HN 0.320 nan 8.230 nan 0.000 0.413 217 F N 2.790 122.776 119.950 0.059 0.000 2.427 217 F HA 0.610 5.115 4.527 -0.037 0.000 0.346 217 F C 0.524 176.369 175.800 0.075 0.000 1.120 217 F CA -0.902 57.126 58.000 0.045 0.000 1.033 217 F CB 1.732 40.724 39.000 -0.014 0.000 1.126 217 F HN 0.525 nan 8.300 nan 0.000 0.462 218 S N 1.435 117.319 115.700 0.306 0.000 2.462 218 S HA 0.504 4.953 4.470 -0.036 0.000 0.294 218 S C -0.627 174.102 174.600 0.216 0.000 1.144 218 S CA -0.898 57.465 58.200 0.271 0.000 1.088 218 S CB 1.849 65.237 63.200 0.314 0.000 1.009 218 S HN 0.692 nan 8.310 nan 0.000 0.484 219 E N 3.069 123.395 120.200 0.211 0.000 2.113 219 E HA 0.194 4.523 4.350 -0.036 0.000 0.273 219 E C -0.100 176.635 176.600 0.224 0.000 0.924 219 E CA -0.765 55.710 56.400 0.125 0.000 0.764 219 E CB 0.535 30.299 29.700 0.107 0.000 1.104 219 E HN 0.910 nan 8.360 nan 0.000 0.406 220 H N 3.216 122.389 119.070 0.170 0.000 2.546 220 H HA 0.504 5.041 4.556 -0.031 0.000 0.365 220 H C -0.753 174.674 175.328 0.166 0.000 1.220 220 H CA -0.706 55.418 56.048 0.126 0.000 1.386 220 H CB 1.297 31.096 29.762 0.061 0.000 1.510 220 H HN 0.384 nan 8.280 nan 0.000 0.591 221 K N 2.268 122.772 120.400 0.174 0.000 2.575 221 K HA 0.079 4.378 4.320 -0.036 0.000 0.255 221 K C 0.659 177.234 176.600 -0.042 0.000 0.953 221 K CA -0.532 55.717 56.287 -0.063 0.000 0.840 221 K CB 2.464 34.821 32.500 -0.238 0.000 1.303 221 K HN 0.721 nan 8.250 nan 0.000 0.438 222 M N 3.436 123.015 119.600 -0.034 0.000 2.108 222 M HA -0.135 4.323 4.480 -0.036 0.000 0.261 222 M C -0.373 176.015 176.300 0.147 0.000 1.066 222 M CA 1.777 57.123 55.300 0.076 0.000 1.107 222 M CB 0.092 32.816 32.600 0.208 0.000 1.356 222 M HN 0.609 nan 8.290 nan 0.000 0.406 223 Y N -2.534 117.731 120.300 -0.059 0.000 2.713 223 Y HA 0.510 5.041 4.550 -0.031 0.000 0.335 223 Y C -1.126 174.732 175.900 -0.070 0.000 1.222 223 Y CA -1.670 56.398 58.100 -0.054 0.000 1.061 223 Y CB 0.314 38.804 38.460 0.049 0.000 1.314 223 Y HN 0.322 nan 8.280 nan 0.000 0.453 224 E N 1.681 121.792 120.200 -0.148 0.000 7.504 224 E HA -0.110 4.218 4.350 -0.036 0.000 0.337 224 E C -2.390 174.120 176.600 -0.150 0.000 0.701 224 E CA 0.450 56.689 56.400 -0.269 0.000 1.302 224 E CB 0.160 29.783 29.700 -0.129 0.000 0.927 224 E HN 0.658 nan 8.360 nan 0.000 0.263 225 P HA -0.025 nan 4.420 nan 0.000 0.230 225 P C 0.246 177.049 177.300 -0.827 0.000 1.158 225 P CA 1.175 64.022 63.100 -0.422 0.000 0.769 225 P CB 0.200 31.806 31.700 -0.157 0.000 0.807 226 A N -0.225 122.269 122.820 -0.542 0.000 2.366 226 A HA 0.404 4.703 4.320 -0.036 0.000 0.272 226 A C -0.063 177.250 177.584 -0.453 0.000 1.135 226 A CA -0.354 51.432 52.037 -0.418 0.000 0.804 226 A CB -0.294 18.605 19.000 -0.168 0.000 1.064 226 A HN -0.038 nan 8.150 nan 0.000 0.499 227 F N 1.155 121.142 119.950 0.061 0.000 2.639 227 F HA 0.205 4.710 4.527 -0.037 0.000 0.302 227 F C 0.889 176.718 175.800 0.049 0.000 1.097 227 F CA 0.051 58.081 58.000 0.052 0.000 1.294 227 F CB -0.103 38.900 39.000 0.005 0.000 1.027 227 F HN 0.804 nan 8.300 nan 0.000 0.550 228 Y N -0.134 120.206 120.300 0.065 0.000 2.846 228 Y HA 0.360 4.889 4.550 -0.035 0.000 0.258 228 Y C 0.517 176.454 175.900 0.062 0.000 1.077 228 Y CA 0.318 58.447 58.100 0.049 0.000 1.270 228 Y CB 0.249 38.727 38.460 0.030 0.000 1.476 228 Y HN -0.144 nan 8.280 nan 0.000 0.460 229 S N -0.156 115.390 115.700 -0.257 0.000 2.564 229 S HA 0.753 5.202 4.470 -0.036 0.000 0.274 229 S C -1.066 173.459 174.600 -0.126 0.000 1.124 229 S CA -0.421 57.594 58.200 -0.309 0.000 0.869 229 S CB 2.174 65.229 63.200 -0.241 0.000 1.105 229 S HN 0.107 nan 8.310 nan 0.000 0.472 230 T N 2.127 116.578 114.554 -0.170 0.000 2.886 230 T HA 0.435 4.764 4.350 -0.036 0.000 0.292 230 T C 1.191 175.775 174.700 -0.193 0.000 1.012 230 T CA -0.626 61.389 62.100 -0.141 0.000 0.982 230 T CB 1.652 70.449 68.868 -0.119 0.000 1.018 230 T HN 0.512 nan 8.240 nan 0.000 0.451 231 V N 2.587 122.395 119.914 -0.177 0.000 2.233 231 V HA -0.072 4.026 4.120 -0.036 0.000 0.247 231 V C 1.264 177.123 176.094 -0.393 0.000 1.050 231 V CA 1.436 63.591 62.300 -0.242 0.000 1.010 231 V CB -0.184 31.535 31.823 -0.174 0.000 0.637 231 V HN 0.717 nan 8.190 nan 0.000 0.444 232 V N 3.214 122.919 119.914 -0.350 0.000 2.174 232 V HA 0.117 4.215 4.120 -0.036 0.000 0.259 232 V C 1.305 177.316 176.094 -0.140 0.000 1.261 232 V CA 0.016 62.140 62.300 -0.293 0.000 1.137 232 V CB 0.500 32.189 31.823 -0.223 0.000 1.290 232 V HN 0.631 nan 8.190 nan 0.000 0.486 233 Q N 2.169 121.850 119.800 -0.199 0.000 2.212 233 Q HA -0.006 4.313 4.340 -0.036 0.000 0.199 233 Q C 0.176 176.146 176.000 -0.050 0.000 0.950 233 Q CA 1.469 57.198 55.803 -0.124 0.000 0.863 233 Q CB 0.475 29.094 28.738 -0.200 0.000 0.944 233 Q HN 0.776 nan 8.270 nan 0.000 0.465 234 D N -1.988 118.330 120.400 -0.136 0.000 2.759 234 D HA 0.029 4.648 4.640 -0.036 0.000 0.321 234 D C 0.831 176.835 176.300 -0.493 0.000 1.267 234 D CA -0.488 53.379 54.000 -0.222 0.000 0.933 234 D CB -0.920 39.793 40.800 -0.145 0.000 1.431 234 D HN 0.142 nan 8.370 nan 0.000 0.504 235 W N 0.590 121.406 121.300 -0.806 0.000 2.421 235 W HA 0.103 4.741 4.660 -0.036 0.000 0.270 235 W C 0.948 177.342 176.519 -0.208 0.000 1.233 235 W CA 1.057 58.054 57.345 -0.580 0.000 1.226 235 W CB -1.138 28.115 29.460 -0.344 0.000 1.121 235 W HN 0.440 nan 8.180 nan 0.000 0.579 236 G N 1.579 109.818 108.800 -0.934 0.000 2.404 236 G HA2 -0.232 3.707 3.960 -0.036 0.000 0.214 236 G HA3 -0.232 3.707 3.960 -0.036 0.000 0.214 236 G C 1.497 176.155 174.900 -0.404 0.000 1.189 236 G CA 1.967 46.524 45.100 -0.904 0.000 0.789 236 G HN 0.277 nan 8.290 nan 0.000 0.533 237 T N 1.078 115.409 114.554 -0.372 0.000 2.788 237 T HA -0.135 4.193 4.350 -0.036 0.000 0.268 237 T C 2.344 176.975 174.700 -0.114 0.000 1.044 237 T CA 1.245 63.143 62.100 -0.336 0.000 1.139 237 T CB -0.263 68.292 68.868 -0.521 0.000 0.867 237 T HN 0.201 nan 8.240 nan 0.000 0.454 238 N N 0.481 119.148 118.700 -0.055 0.000 2.120 238 N HA -0.113 4.605 4.740 -0.036 0.000 0.188 238 N C 1.599 177.203 175.510 0.156 0.000 1.024 238 N CA 1.168 54.289 53.050 0.119 0.000 0.852 238 N CB -0.482 38.147 38.487 0.237 0.000 1.003 238 N HN 0.477 nan 8.380 nan 0.000 0.424 239 Y N 1.327 121.648 120.300 0.034 0.000 2.165 239 Y HA -0.089 4.438 4.550 -0.037 0.000 0.286 239 Y C 2.180 178.105 175.900 0.043 0.000 1.155 239 Y CA 1.407 59.538 58.100 0.052 0.000 1.164 239 Y CB -0.512 37.930 38.460 -0.030 0.000 0.978 239 Y HN 0.050 nan 8.280 nan 0.000 0.513 240 L N -0.477 120.701 121.223 -0.075 0.000 2.079 240 L HA -0.256 4.063 4.340 -0.036 0.000 0.210 240 L C 2.400 179.257 176.870 -0.022 0.000 1.081 240 L CA 1.485 56.283 54.840 -0.070 0.000 0.752 240 L CB -0.572 41.564 42.059 0.130 0.000 0.896 240 L HN 0.295 nan 8.230 nan 0.000 0.433 241 I N -0.245 120.395 120.570 0.118 0.000 2.133 241 I HA -0.280 3.869 4.170 -0.036 0.000 0.238 241 I C 2.840 178.972 176.117 0.024 0.000 1.074 241 I CA 1.271 62.665 61.300 0.156 0.000 1.342 241 I CB -0.521 37.668 38.000 0.315 0.000 1.053 241 I HN 0.179 nan 8.210 nan 0.000 0.404 242 A N 0.050 122.876 122.820 0.010 0.000 1.883 242 A HA -0.317 3.981 4.320 -0.036 0.000 0.217 242 A C 2.330 179.848 177.584 -0.110 0.000 1.186 242 A CA 2.128 54.166 52.037 0.002 0.000 0.624 242 A CB -0.877 18.161 19.000 0.064 0.000 0.822 242 A HN 0.554 nan 8.150 nan 0.000 0.444 243 Q N -0.970 118.645 119.800 -0.309 0.000 2.084 243 Q HA -0.170 4.149 4.340 -0.036 0.000 0.202 243 Q C 2.040 177.928 176.000 -0.187 0.000 0.978 243 Q CA 2.140 57.757 55.803 -0.311 0.000 0.844 243 Q CB -0.286 28.109 28.738 -0.573 0.000 0.898 243 Q HN 0.613 nan 8.270 nan 0.000 0.426 244 T N 1.409 115.856 114.554 -0.179 0.000 2.777 244 T HA -0.091 4.238 4.350 -0.036 0.000 0.266 244 T C 1.836 176.408 174.700 -0.213 0.000 1.040 244 T CA 1.203 63.205 62.100 -0.163 0.000 1.141 244 T CB -0.142 68.636 68.868 -0.151 0.000 0.868 244 T HN 0.236 nan 8.240 nan 0.000 0.444 245 L N 0.052 121.138 121.223 -0.230 0.000 2.027 245 L HA 0.234 4.552 4.340 -0.036 0.000 0.206 245 L C 1.542 177.989 176.870 -0.706 0.000 1.074 245 L CA 0.850 55.429 54.840 -0.435 0.000 0.745 245 L CB -0.617 41.290 42.059 -0.252 0.000 0.898 245 L HN 0.523 nan 8.230 nan 0.000 0.433 246 G N -2.360 106.253 108.800 -0.313 0.000 2.369 246 G HA2 -0.021 3.918 3.960 -0.036 0.000 0.295 246 G HA3 -0.021 3.918 3.960 -0.036 0.000 0.295 246 G C -2.607 172.370 174.900 0.127 0.000 1.298 246 G CA -0.500 44.512 45.100 -0.147 0.000 0.940 246 G HN -0.252 nan 8.290 nan 0.000 0.536 247 P HA -0.017 nan 4.420 nan 0.000 0.216 247 P C 1.529 178.951 177.300 0.204 0.000 1.150 247 P CA 1.590 64.797 63.100 0.179 0.000 0.837 247 P CB 0.045 31.835 31.700 0.150 0.000 0.786 248 K N -1.062 119.498 120.400 0.266 0.000 2.432 248 K HA 0.196 4.495 4.320 -0.036 0.000 0.196 248 K C 0.816 177.506 176.600 0.150 0.000 1.038 248 K CA 0.085 56.443 56.287 0.118 0.000 0.986 248 K CB 0.017 32.435 32.500 -0.137 0.000 0.782 248 K HN 0.067 nan 8.250 nan 0.000 0.485 249 A N 1.825 124.832 122.820 0.313 0.000 2.274 249 A HA 0.314 4.613 4.320 -0.036 0.000 0.309 249 A C -0.502 177.224 177.584 0.237 0.000 1.226 249 A CA -0.420 51.773 52.037 0.259 0.000 0.853 249 A CB 0.535 19.706 19.000 0.284 0.000 1.146 249 A HN 0.108 nan 8.150 nan 0.000 0.518 250 Q N 0.378 120.362 119.800 0.308 0.000 2.605 250 Q HA 0.497 4.815 4.340 -0.036 0.000 0.296 250 Q C -1.356 174.831 176.000 0.312 0.000 1.056 250 Q CA -0.833 55.163 55.803 0.323 0.000 0.778 250 Q CB 2.193 31.155 28.738 0.373 0.000 1.497 250 Q HN 0.769 nan 8.270 nan 0.000 0.443 251 C N 1.318 120.735 119.300 0.195 0.000 2.341 251 C HA 0.642 5.080 4.460 -0.036 0.000 0.338 251 C C -0.278 174.667 174.990 -0.075 0.000 1.257 251 C CA -0.677 58.426 59.018 0.143 0.000 1.883 251 C CB -0.138 27.734 27.740 0.220 0.000 2.334 251 C HN 0.645 nan 8.230 nan 0.000 0.524 252 L N 3.299 124.453 121.223 -0.115 0.000 2.296 252 L HA 0.696 5.015 4.340 -0.036 0.000 0.286 252 L C -0.744 175.914 176.870 -0.354 0.000 1.023 252 L CA -0.084 54.533 54.840 -0.372 0.000 0.812 252 L CB 1.065 42.876 42.059 -0.413 0.000 1.223 252 L HN 0.554 nan 8.230 nan 0.000 0.421 253 V N 4.320 123.969 119.914 -0.442 0.000 2.350 253 V HA 0.305 4.404 4.120 -0.036 0.000 0.276 253 V C -0.412 175.522 176.094 -0.267 0.000 1.028 253 V CA -0.570 61.553 62.300 -0.294 0.000 0.860 253 V CB 1.261 32.967 31.823 -0.194 0.000 0.990 253 V HN 0.670 nan 8.190 nan 0.000 0.453 254 D N 4.353 124.540 120.400 -0.354 0.000 2.329 254 D HA 0.305 4.923 4.640 -0.036 0.000 0.232 254 D C 1.097 177.303 176.300 -0.157 0.000 1.088 254 D CA -0.384 53.390 54.000 -0.377 0.000 0.835 254 D CB 1.799 42.006 40.800 -0.989 0.000 1.078 254 D HN 0.387 nan 8.370 nan 0.000 0.495 255 L N 2.934 124.172 121.223 0.025 0.000 2.089 255 L HA -0.132 4.187 4.340 -0.036 0.000 0.213 255 L C 2.138 179.145 176.870 0.230 0.000 1.079 255 L CA 1.563 56.506 54.840 0.171 0.000 0.758 255 L CB -0.297 41.852 42.059 0.150 0.000 0.891 255 L HN 0.478 nan 8.230 nan 0.000 0.433 256 G N -2.425 106.436 108.800 0.102 0.000 3.088 256 G HA2 -0.052 3.886 3.960 -0.036 0.000 0.212 256 G HA3 -0.052 3.886 3.960 -0.036 0.000 0.212 256 G C 0.785 175.815 174.900 0.217 0.000 1.173 256 G CA -0.251 44.947 45.100 0.163 0.000 0.779 256 G HN 0.530 nan 8.290 nan 0.000 0.540 257 H N 0.052 119.050 119.070 -0.119 0.000 2.568 257 H HA 0.188 4.726 4.556 -0.031 0.000 0.302 257 H C -0.042 175.045 175.328 -0.401 0.000 1.065 257 H CA -0.451 55.412 56.048 -0.308 0.000 1.140 257 H CB 0.287 29.798 29.762 -0.418 0.000 1.474 257 H HN 0.347 nan 8.280 nan 0.000 0.545 258 H N -0.166 119.030 119.070 0.210 0.000 2.670 258 H HA 0.436 4.969 4.556 -0.039 0.000 0.361 258 H C 0.015 175.451 175.328 0.181 0.000 1.169 258 H CA -0.881 55.288 56.048 0.200 0.000 1.198 258 H CB 1.632 31.498 29.762 0.173 0.000 1.700 258 H HN 0.240 nan 8.280 nan 0.000 0.542 259 A N 2.210 125.200 122.820 0.284 0.000 2.466 259 A HA 0.228 4.526 4.320 -0.036 0.000 0.238 259 A C -2.161 175.531 177.584 0.181 0.000 1.074 259 A CA -1.034 51.128 52.037 0.210 0.000 0.774 259 A CB -0.666 18.424 19.000 0.150 0.000 1.015 259 A HN 0.400 nan 8.150 nan 0.000 0.498 260 P HA 0.046 nan 4.420 nan 0.000 0.264 260 P C 0.008 177.361 177.300 0.088 0.000 1.183 260 P CA 0.677 63.846 63.100 0.114 0.000 0.763 260 P CB 0.203 31.961 31.700 0.098 0.000 0.807 261 N N -1.168 117.574 118.700 0.070 0.000 2.936 261 N HA -0.139 4.579 4.740 -0.036 0.000 0.236 261 N C -0.362 175.173 175.510 0.041 0.000 0.930 261 N CA 1.202 54.281 53.050 0.048 0.000 0.966 261 N CB -2.350 36.161 38.487 0.041 0.000 1.090 261 N HN 0.385 nan 8.380 nan 0.000 0.592 262 T N 1.646 116.237 114.554 0.061 0.000 2.946 262 T HA -0.047 4.282 4.350 -0.036 0.000 0.312 262 T C 0.793 175.478 174.700 -0.024 0.000 1.066 262 T CA -0.006 62.119 62.100 0.042 0.000 1.138 262 T CB 0.502 69.423 68.868 0.089 0.000 1.014 262 T HN 0.156 nan 8.240 nan 0.000 0.544 263 N N 3.060 121.732 118.700 -0.047 0.000 2.482 263 N HA 0.122 4.841 4.740 -0.036 0.000 0.242 263 N C 1.043 176.455 175.510 -0.164 0.000 1.100 263 N CA -0.181 52.817 53.050 -0.087 0.000 0.946 263 N CB 0.033 38.477 38.487 -0.071 0.000 1.227 263 N HN 0.556 nan 8.380 nan 0.000 0.508 264 I N 1.823 122.271 120.570 -0.204 0.000 2.315 264 I HA -0.223 3.926 4.170 -0.036 0.000 0.248 264 I C 2.171 178.151 176.117 -0.228 0.000 1.117 264 I CA 0.750 61.863 61.300 -0.312 0.000 1.404 264 I CB -0.010 37.797 38.000 -0.322 0.000 1.071 264 I HN 0.538 nan 8.210 nan 0.000 0.419 265 E N 1.464 121.562 120.200 -0.170 0.000 2.265 265 E HA -0.285 4.044 4.350 -0.036 0.000 0.196 265 E C 2.072 178.571 176.600 -0.169 0.000 0.996 265 E CA 1.242 57.553 56.400 -0.148 0.000 0.832 265 E CB -0.564 29.044 29.700 -0.154 0.000 0.756 265 E HN 0.573 nan 8.360 nan 0.000 0.491 266 M N 0.766 120.248 119.600 -0.197 0.000 2.200 266 M HA -0.021 4.438 4.480 -0.036 0.000 0.265 266 M C 2.222 178.305 176.300 -0.361 0.000 1.066 266 M CA 1.091 56.260 55.300 -0.219 0.000 1.127 266 M CB -0.014 32.480 32.600 -0.176 0.000 1.379 266 M HN 0.005 nan 8.290 nan 0.000 0.420 267 I N -0.256 120.023 120.570 -0.485 0.000 2.208 267 I HA -0.276 3.873 4.170 -0.036 0.000 0.245 267 I C 2.214 178.003 176.117 -0.547 0.000 1.097 267 I CA 1.035 61.829 61.300 -0.844 0.000 1.363 267 I CB -0.450 37.080 38.000 -0.785 0.000 1.051 267 I HN 0.147 nan 8.210 nan 0.000 0.413 268 V N 1.041 120.785 119.914 -0.282 0.000 2.287 268 V HA -0.323 3.776 4.120 -0.036 0.000 0.248 268 V C 2.713 178.730 176.094 -0.129 0.000 1.053 268 V CA 2.097 64.325 62.300 -0.119 0.000 1.027 268 V CB -0.999 30.868 31.823 0.075 0.000 0.646 268 V HN 0.514 nan 8.190 nan 0.000 0.447 269 A N -0.326 122.398 122.820 -0.160 0.000 1.902 269 A HA -0.184 4.114 4.320 -0.036 0.000 0.217 269 A C 2.360 179.864 177.584 -0.134 0.000 1.181 269 A CA 1.400 53.352 52.037 -0.141 0.000 0.623 269 A CB -0.427 18.494 19.000 -0.131 0.000 0.818 269 A HN 0.404 nan 8.150 nan 0.000 0.443 270 R N -0.341 120.033 120.500 -0.210 0.000 2.073 270 R HA -0.031 4.288 4.340 -0.036 0.000 0.234 270 R C 2.090 178.399 176.300 0.015 0.000 1.134 270 R CA 1.268 57.288 56.100 -0.133 0.000 0.952 270 R CB -1.008 29.018 30.300 -0.457 0.000 0.850 270 R HN 0.586 nan 8.270 nan 0.000 0.433 271 L N 0.363 121.533 121.223 -0.089 0.000 2.083 271 L HA -0.134 4.184 4.340 -0.036 0.000 0.209 271 L C 2.444 179.377 176.870 0.105 0.000 1.083 271 L CA 1.072 55.959 54.840 0.079 0.000 0.752 271 L CB -0.388 41.688 42.059 0.028 0.000 0.899 271 L HN 0.113 nan 8.230 nan 0.000 0.433 272 I N -0.650 119.915 120.570 -0.007 0.000 2.252 272 I HA -0.303 3.845 4.170 -0.036 0.000 0.245 272 I C 2.682 178.743 176.117 -0.094 0.000 1.102 272 I CA 1.179 62.417 61.300 -0.104 0.000 1.385 272 I CB -0.311 37.494 38.000 -0.324 0.000 1.064 272 I HN 0.370 nan 8.210 nan 0.000 0.414 273 Q N 0.868 120.627 119.800 -0.068 0.000 2.181 273 Q HA -0.197 4.122 4.340 -0.036 0.000 0.205 273 Q C 1.407 177.233 176.000 -0.292 0.000 0.980 273 Q CA 1.811 57.513 55.803 -0.169 0.000 0.862 273 Q CB 0.045 28.703 28.738 -0.132 0.000 0.905 273 Q HN 0.475 nan 8.270 nan 0.000 0.429 274 F N -0.955 118.997 119.950 0.004 0.000 2.639 274 F HA 0.315 4.820 4.527 -0.037 0.000 0.300 274 F C 1.199 177.088 175.800 0.148 0.000 1.109 274 F CA 0.294 58.343 58.000 0.081 0.000 1.335 274 F CB 0.869 39.911 39.000 0.071 0.000 1.014 274 F HN 0.166 nan 8.300 nan 0.000 0.537 275 G N 0.772 109.685 108.800 0.188 0.000 2.258 275 G HA2 -0.322 3.616 3.960 -0.036 0.000 0.274 275 G HA3 -0.322 3.616 3.960 -0.036 0.000 0.274 275 G C 1.002 176.047 174.900 0.241 0.000 1.021 275 G CA 0.225 45.437 45.100 0.187 0.000 0.798 275 G HN 0.231 nan 8.290 nan 0.000 0.507 276 K N -0.835 119.731 120.400 0.277 0.000 2.537 276 K HA 0.288 4.586 4.320 -0.036 0.000 0.206 276 K C 0.565 177.279 176.600 0.189 0.000 1.041 276 K CA -0.553 55.896 56.287 0.270 0.000 1.090 276 K CB 0.604 33.329 32.500 0.375 0.000 0.833 276 K HN 0.406 nan 8.250 nan 0.000 0.493 277 L N 1.152 122.462 121.223 0.146 0.000 2.334 277 L HA 0.277 4.596 4.340 -0.036 0.000 0.286 277 L C 1.130 177.965 176.870 -0.058 0.000 1.108 277 L CA 0.198 55.048 54.840 0.018 0.000 0.875 277 L CB 0.642 42.757 42.059 0.094 0.000 1.246 277 L HN 0.212 nan 8.230 nan 0.000 0.439 278 G N 2.995 111.677 108.800 -0.196 0.000 2.395 278 G HA2 0.403 4.342 3.960 -0.036 0.000 0.214 278 G HA3 0.403 4.342 3.960 -0.036 0.000 0.214 278 G C 0.541 174.929 174.900 -0.854 0.000 1.177 278 G CA 0.665 45.509 45.100 -0.426 0.000 0.794 278 G HN 0.948 nan 8.290 nan 0.000 0.532 279 G N -1.984 106.283 108.800 -0.889 0.000 2.430 279 G HA2 0.476 4.415 3.960 -0.036 0.000 0.300 279 G HA3 0.476 4.415 3.960 -0.036 0.000 0.300 279 G C -1.931 172.475 174.900 -0.823 0.000 1.330 279 G CA -1.001 43.627 45.100 -0.786 0.000 0.813 279 G HN 0.040 nan 8.290 nan 0.000 0.487 280 F N -0.384 119.297 119.950 -0.449 0.000 2.561 280 F HA 0.601 5.102 4.527 -0.043 0.000 0.321 280 F C 0.203 175.761 175.800 -0.403 0.000 1.065 280 F CA -0.539 57.130 58.000 -0.553 0.000 0.934 280 F CB 2.577 40.980 39.000 -0.996 0.000 1.215 280 F HN 0.357 nan 8.300 nan 0.000 0.471 281 H N 2.257 121.141 119.070 -0.311 0.000 2.792 281 H HA 0.326 4.877 4.556 -0.008 0.000 0.298 281 H C -1.178 174.029 175.328 -0.202 0.000 1.042 281 H CA -0.760 55.172 56.048 -0.193 0.000 1.300 281 H CB 0.899 30.557 29.762 -0.172 0.000 1.431 281 H HN 0.330 nan 8.280 nan 0.000 0.496 282 F N 3.222 123.288 119.950 0.193 0.000 2.384 282 F HA 0.177 4.660 4.527 -0.074 0.000 0.338 282 F C 0.552 176.398 175.800 0.077 0.000 1.103 282 F CA -0.271 57.803 58.000 0.124 0.000 1.157 282 F CB 0.927 40.006 39.000 0.131 0.000 1.167 282 F HN 0.701 nan 8.300 nan 0.000 0.529 283 N N -0.575 118.293 118.700 0.281 0.000 3.836 283 N HA 0.296 5.014 4.740 -0.036 0.000 0.229 283 N C -2.244 173.357 175.510 0.152 0.000 1.375 283 N CA -0.988 52.164 53.050 0.169 0.000 0.838 283 N CB 0.944 39.492 38.487 0.101 0.000 1.447 283 N HN 0.304 nan 8.380 nan 0.000 0.458 284 D N -1.447 119.023 120.400 0.116 0.000 2.493 284 D HA 0.819 5.438 4.640 -0.036 0.000 0.239 284 D C -1.148 175.205 176.300 0.089 0.000 1.049 284 D CA -0.060 54.002 54.000 0.103 0.000 1.008 284 D CB 2.051 42.906 40.800 0.093 0.000 1.398 284 D HN 0.808 nan 8.370 nan 0.000 0.513 285 S N -0.132 115.613 115.700 0.074 0.000 2.611 285 S HA 0.415 4.864 4.470 -0.036 0.000 0.268 285 S C -0.081 174.519 174.600 -0.001 0.000 1.156 285 S CA -0.768 57.471 58.200 0.065 0.000 0.817 285 S CB 2.425 65.681 63.200 0.094 0.000 1.122 285 S HN 0.467 nan 8.310 nan 0.000 0.466 286 K N -1.009 119.345 120.400 -0.076 0.000 2.548 286 K HA 0.328 4.627 4.320 -0.036 0.000 0.209 286 K C 0.109 176.422 176.600 -0.478 0.000 1.420 286 K CA 0.001 56.084 56.287 -0.340 0.000 0.985 286 K CB 0.210 32.358 32.500 -0.586 0.000 1.249 286 K HN 0.674 nan 8.250 nan 0.000 0.557 287 Y N -0.688 119.673 120.300 0.102 0.000 2.697 287 Y HA 0.396 4.924 4.550 -0.037 0.000 0.268 287 Y C 1.455 177.448 175.900 0.154 0.000 1.092 287 Y CA 0.295 58.464 58.100 0.115 0.000 1.304 287 Y CB 0.268 38.791 38.460 0.105 0.000 1.446 287 Y HN 0.086 nan 8.280 nan 0.000 0.491 288 G N -0.969 108.027 108.800 0.328 0.000 3.291 288 G HA2 0.177 4.116 3.960 -0.036 0.000 0.173 288 G HA3 0.177 4.116 3.960 -0.036 0.000 0.173 288 G C -1.251 173.741 174.900 0.154 0.000 1.099 288 G CA -0.265 45.000 45.100 0.274 0.000 0.794 288 G HN -0.033 nan 8.290 nan 0.000 0.651 289 D N 0.679 121.110 120.400 0.052 0.000 2.713 289 D HA 0.215 4.833 4.640 -0.036 0.000 0.229 289 D C 0.557 176.895 176.300 0.064 0.000 1.136 289 D CA -0.346 53.677 54.000 0.038 0.000 1.010 289 D CB -0.059 40.688 40.800 -0.087 0.000 1.084 289 D HN 0.146 nan 8.370 nan 0.000 0.495 290 D N 0.914 121.379 120.400 0.108 0.000 2.263 290 D HA -0.143 4.476 4.640 -0.036 0.000 0.208 290 D C 0.279 176.624 176.300 0.077 0.000 0.971 290 D CA 0.515 54.584 54.000 0.115 0.000 0.867 290 D CB -0.020 40.872 40.800 0.154 0.000 0.929 290 D HN 0.420 nan 8.370 nan 0.000 0.492 291 D N -0.033 120.403 120.400 0.060 0.000 2.708 291 D HA -0.178 4.441 4.640 -0.036 0.000 0.236 291 D C -0.037 176.271 176.300 0.013 0.000 1.146 291 D CA 0.395 54.413 54.000 0.029 0.000 0.662 291 D CB -1.199 39.604 40.800 0.006 0.000 1.059 291 D HN 0.326 nan 8.370 nan 0.000 0.428 292 L N 0.033 121.289 121.223 0.055 0.000 2.454 292 L HA 0.248 4.567 4.340 -0.036 0.000 0.256 292 L C 0.903 177.828 176.870 0.091 0.000 1.136 292 L CA -0.777 54.105 54.840 0.070 0.000 0.804 292 L CB 0.476 42.588 42.059 0.088 0.000 1.181 292 L HN -0.196 nan 8.230 nan 0.000 0.469 293 D N 1.500 121.972 120.400 0.122 0.000 2.531 293 D HA 0.172 4.791 4.640 -0.036 0.000 0.239 293 D C 0.188 176.551 176.300 0.106 0.000 1.144 293 D CA 0.309 54.390 54.000 0.135 0.000 0.869 293 D CB 0.583 41.454 40.800 0.118 0.000 1.160 293 D HN 0.583 nan 8.370 nan 0.000 0.484 294 A N 2.453 125.339 122.820 0.110 0.000 2.580 294 A HA 0.409 4.708 4.320 -0.036 0.000 0.244 294 A C 1.714 179.342 177.584 0.074 0.000 1.045 294 A CA 0.492 52.592 52.037 0.103 0.000 0.761 294 A CB -0.366 18.691 19.000 0.095 0.000 0.962 294 A HN 1.008 nan 8.150 nan 0.000 0.512 295 G N 1.122 109.973 108.800 0.086 0.000 2.184 295 G HA2 -0.091 3.847 3.960 -0.036 0.000 0.264 295 G HA3 -0.091 3.847 3.960 -0.036 0.000 0.264 295 G C 1.184 176.129 174.900 0.075 0.000 0.975 295 G CA 1.182 46.332 45.100 0.083 0.000 0.642 295 G HN 2.082 nan 8.290 nan 0.000 0.536 296 A N -0.470 122.391 122.820 0.068 0.000 2.121 296 A HA 0.401 4.699 4.320 -0.036 0.000 0.218 296 A C 2.186 179.805 177.584 0.057 0.000 1.154 296 A CA 1.909 53.982 52.037 0.059 0.000 0.679 296 A CB -0.171 18.866 19.000 0.063 0.000 0.795 296 A HN 0.541 nan 8.150 nan 0.000 0.458 297 I N -1.558 119.048 120.570 0.060 0.000 3.443 297 I HA 0.146 4.294 4.170 -0.036 0.000 0.277 297 I C 0.300 176.448 176.117 0.051 0.000 1.169 297 I CA 0.711 62.038 61.300 0.045 0.000 1.419 297 I CB -0.747 37.271 38.000 0.030 0.000 1.331 297 I HN 0.223 nan 8.210 nan 0.000 0.458 298 E N 2.402 122.642 120.200 0.068 0.000 3.108 298 E HA 0.192 4.520 4.350 -0.036 0.000 0.228 298 E C -1.806 174.865 176.600 0.118 0.000 1.176 298 E CA -1.408 55.041 56.400 0.083 0.000 0.881 298 E CB 1.797 31.535 29.700 0.063 0.000 1.354 298 E HN 0.114 nan 8.360 nan 0.000 0.400 299 P HA -0.217 nan 4.420 nan 0.000 0.218 299 P C 1.207 178.666 177.300 0.265 0.000 1.149 299 P CA 1.026 64.262 63.100 0.227 0.000 0.817 299 P CB 0.257 32.118 31.700 0.269 0.000 0.785 300 Y N 1.871 122.138 120.300 -0.056 0.000 2.200 300 Y HA -0.124 4.404 4.550 -0.037 0.000 0.290 300 Y C 2.935 178.783 175.900 -0.087 0.000 1.137 300 Y CA 1.281 59.153 58.100 -0.381 0.000 1.163 300 Y CB -0.933 37.247 38.460 -0.468 0.000 0.988 300 Y HN -0.216 nan 8.280 nan 0.000 0.518 301 R N -0.250 120.249 120.500 -0.001 0.000 2.091 301 R HA -0.209 4.110 4.340 -0.036 0.000 0.238 301 R C 2.204 178.484 176.300 -0.033 0.000 1.136 301 R CA 1.836 57.898 56.100 -0.064 0.000 0.959 301 R CB -0.731 29.568 30.300 -0.002 0.000 0.856 301 R HN 0.416 nan 8.270 nan 0.000 0.437 302 L N 0.499 121.761 121.223 0.066 0.000 2.042 302 L HA -0.140 4.178 4.340 -0.036 0.000 0.210 302 L C 2.041 179.013 176.870 0.170 0.000 1.076 302 L CA 1.743 56.655 54.840 0.121 0.000 0.749 302 L CB -0.779 41.372 42.059 0.154 0.000 0.893 302 L HN 0.293 nan 8.230 nan 0.000 0.432 303 F N -0.460 119.500 119.950 0.016 0.000 2.134 303 F HA -0.189 4.314 4.527 -0.039 0.000 0.299 303 F C 1.998 177.747 175.800 -0.085 0.000 1.097 303 F CA 1.656 59.668 58.000 0.020 0.000 1.264 303 F CB -0.327 38.686 39.000 0.021 0.000 1.001 303 F HN 0.047 nan 8.300 nan 0.000 0.479 304 L N -0.529 120.482 121.223 -0.354 0.000 2.191 304 L HA -0.182 4.137 4.340 -0.036 0.000 0.212 304 L C 2.318 178.985 176.870 -0.338 0.000 1.103 304 L CA 0.673 55.232 54.840 -0.468 0.000 0.769 304 L CB -0.740 41.071 42.059 -0.413 0.000 0.908 304 L HN 0.087 nan 8.230 nan 0.000 0.438 305 V N -0.825 118.943 119.914 -0.244 0.000 2.323 305 V HA -0.239 3.860 4.120 -0.036 0.000 0.244 305 V C 2.162 178.066 176.094 -0.318 0.000 1.041 305 V CA 1.677 63.826 62.300 -0.251 0.000 1.025 305 V CB -0.497 31.164 31.823 -0.270 0.000 0.656 305 V HN 0.216 nan 8.190 nan 0.000 0.451 306 F N 0.972 120.771 119.950 -0.252 0.000 2.365 306 F HA -0.115 4.381 4.527 -0.051 0.000 0.300 306 F C 2.240 177.890 175.800 -0.249 0.000 1.090 306 F CA 1.623 59.499 58.000 -0.208 0.000 1.408 306 F CB -0.603 38.269 39.000 -0.213 0.000 1.060 306 F HN 0.249 nan 8.300 nan 0.000 0.534 307 N N 0.210 118.724 118.700 -0.309 0.000 2.244 307 N HA -0.168 4.551 4.740 -0.036 0.000 0.183 307 N C 1.710 177.124 175.510 -0.161 0.000 1.016 307 N CA 1.292 54.132 53.050 -0.349 0.000 0.866 307 N CB -0.067 38.087 38.487 -0.555 0.000 0.980 307 N HN 0.063 nan 8.380 nan 0.000 0.430 308 E N 0.185 120.301 120.200 -0.139 0.000 2.152 308 E HA -0.036 4.293 4.350 -0.036 0.000 0.192 308 E C 2.025 178.627 176.600 0.004 0.000 0.983 308 E CA 0.434 56.787 56.400 -0.078 0.000 0.818 308 E CB -0.163 29.490 29.700 -0.078 0.000 0.758 308 E HN 0.482 nan 8.360 nan 0.000 0.467 309 L N 0.267 121.536 121.223 0.077 0.000 2.056 309 L HA -0.115 4.203 4.340 -0.036 0.000 0.207 309 L C 2.441 179.483 176.870 0.286 0.000 1.078 309 L CA 0.769 55.776 54.840 0.279 0.000 0.749 309 L CB -0.481 41.761 42.059 0.304 0.000 0.901 309 L HN -0.022 nan 8.230 nan 0.000 0.433 310 V N -0.157 119.872 119.914 0.192 0.000 2.548 310 V HA -0.241 3.857 4.120 -0.036 0.000 0.249 310 V C 2.101 178.240 176.094 0.075 0.000 1.055 310 V CA 1.831 64.223 62.300 0.153 0.000 1.065 310 V CB -0.412 31.458 31.823 0.077 0.000 0.681 310 V HN 0.440 nan 8.190 nan 0.000 0.462 311 D N 0.660 121.072 120.400 0.020 0.000 2.178 311 D HA -0.125 4.493 4.640 -0.036 0.000 0.202 311 D C 2.128 178.409 176.300 -0.033 0.000 0.974 311 D CA 1.354 55.343 54.000 -0.017 0.000 0.841 311 D CB -0.055 40.717 40.800 -0.048 0.000 0.953 311 D HN 0.351 nan 8.370 nan 0.000 0.478 312 A N 0.428 123.217 122.820 -0.052 0.000 1.908 312 A HA -0.231 4.067 4.320 -0.036 0.000 0.218 312 A C 2.193 179.748 177.584 -0.049 0.000 1.181 312 A CA 1.837 53.776 52.037 -0.164 0.000 0.627 312 A CB -0.780 17.950 19.000 -0.449 0.000 0.818 312 A HN 0.418 nan 8.150 nan 0.000 0.445 313 E N -0.312 119.936 120.200 0.080 0.000 2.106 313 E HA -0.072 4.257 4.350 -0.036 0.000 0.192 313 E C 2.119 178.747 176.600 0.047 0.000 0.984 313 E CA 0.820 57.282 56.400 0.104 0.000 0.806 313 E CB -0.231 29.562 29.700 0.156 0.000 0.750 313 E HN 0.536 nan 8.360 nan 0.000 0.458 314 A N 0.987 123.825 122.820 0.030 0.000 2.024 314 A HA -0.147 4.152 4.320 -0.036 0.000 0.220 314 A C 1.990 179.570 177.584 -0.006 0.000 1.164 314 A CA 1.259 53.303 52.037 0.011 0.000 0.643 314 A CB -0.317 18.684 19.000 0.002 0.000 0.806 314 A HN 0.137 nan 8.150 nan 0.000 0.451 315 R N -1.336 119.150 120.500 -0.023 0.000 2.334 315 R HA 0.274 4.592 4.340 -0.036 0.000 0.220 315 R C 1.050 177.330 176.300 -0.032 0.000 0.917 315 R CA 0.523 56.600 56.100 -0.038 0.000 1.073 315 R CB -0.006 30.254 30.300 -0.066 0.000 1.056 315 R HN 0.601 nan 8.270 nan 0.000 0.506 316 G N 1.088 109.881 108.800 -0.012 0.000 2.273 316 G HA2 -0.251 3.688 3.960 -0.036 0.000 0.280 316 G HA3 -0.251 3.688 3.960 -0.036 0.000 0.280 316 G C 0.052 174.947 174.900 -0.010 0.000 1.047 316 G CA 0.023 45.123 45.100 0.001 0.000 0.869 316 G HN 0.155 nan 8.290 nan 0.000 0.502 317 V N 1.009 120.902 119.914 -0.034 0.000 2.485 317 V HA 0.262 4.361 4.120 -0.036 0.000 0.287 317 V C 1.014 177.122 176.094 0.023 0.000 1.022 317 V CA 0.347 62.612 62.300 -0.057 0.000 1.067 317 V CB 0.585 32.285 31.823 -0.204 0.000 0.967 317 V HN 0.678 nan 8.190 nan 0.000 0.479 318 K N 3.961 124.381 120.400 0.033 0.000 2.382 318 K HA 0.449 4.747 4.320 -0.036 0.000 0.275 318 K C 1.085 177.755 176.600 0.118 0.000 1.009 318 K CA 0.230 56.559 56.287 0.070 0.000 0.970 318 K CB -0.310 32.226 32.500 0.060 0.000 0.934 318 K HN 0.960 nan 8.250 nan 0.000 0.479 319 G N 1.561 110.447 108.800 0.145 0.000 2.361 319 G HA2 -0.311 3.628 3.960 -0.036 0.000 0.294 319 G HA3 -0.311 3.628 3.960 -0.036 0.000 0.294 319 G C -0.632 174.379 174.900 0.186 0.000 1.004 319 G CA 0.395 45.645 45.100 0.250 0.000 0.870 319 G HN 0.660 nan 8.290 nan 0.000 0.510 320 F N 1.761 121.574 119.950 -0.230 0.000 2.405 320 F HA 0.573 5.081 4.527 -0.032 0.000 0.358 320 F C 0.346 175.882 175.800 -0.440 0.000 1.151 320 F CA -1.677 56.202 58.000 -0.202 0.000 1.161 320 F CB 0.198 39.128 39.000 -0.116 0.000 1.245 320 F HN 0.225 nan 8.300 nan 0.000 0.545 321 H N 5.750 124.636 119.070 -0.306 0.000 2.429 321 H HA 0.284 4.817 4.556 -0.038 0.000 0.231 321 H C -2.336 172.750 175.328 -0.404 0.000 1.416 321 H CA -1.655 54.184 56.048 -0.348 0.000 1.443 321 H CB -0.099 29.588 29.762 -0.125 0.000 1.591 321 H HN 0.419 nan 8.280 nan 0.000 0.507 322 P HA 0.196 nan 4.420 nan 0.000 0.269 322 P C -0.154 176.833 177.300 -0.521 0.000 1.215 322 P CA -0.378 62.427 63.100 -0.493 0.000 0.780 322 P CB 1.147 32.558 31.700 -0.482 0.000 0.898 323 A N 2.619 125.178 122.820 -0.434 0.000 2.331 323 A HA 0.349 4.648 4.320 -0.036 0.000 0.283 323 A C -0.433 176.962 177.584 -0.314 0.000 1.142 323 A CA -0.406 51.450 52.037 -0.302 0.000 0.812 323 A CB -0.302 18.609 19.000 -0.149 0.000 1.074 323 A HN 0.676 nan 8.150 nan 0.000 0.497 324 H N 1.088 120.217 119.070 0.098 0.000 2.511 324 H HA 0.627 5.156 4.556 -0.045 0.000 0.328 324 H C -0.421 175.056 175.328 0.249 0.000 1.044 324 H CA -0.095 56.115 56.048 0.271 0.000 1.212 324 H CB 1.425 31.400 29.762 0.356 0.000 1.428 324 H HN 0.677 nan 8.280 nan 0.000 0.483 325 M N 2.884 122.717 119.600 0.387 0.000 2.484 325 M HA 0.406 4.865 4.480 -0.036 0.000 0.289 325 M C -1.014 175.461 176.300 0.293 0.000 1.206 325 M CA -0.489 54.984 55.300 0.288 0.000 0.892 325 M CB 2.806 35.551 32.600 0.241 0.000 1.712 325 M HN 0.386 nan 8.290 nan 0.000 0.462 326 I N 1.338 122.012 120.570 0.174 0.000 2.385 326 I HA 0.289 4.437 4.170 -0.036 0.000 0.294 326 I C -0.649 175.425 176.117 -0.072 0.000 0.988 326 I CA -0.103 61.278 61.300 0.136 0.000 1.265 326 I CB 1.101 39.161 38.000 0.100 0.000 1.388 326 I HN 0.580 nan 8.210 nan 0.000 0.480 327 D N 6.605 126.971 120.400 -0.056 0.000 2.375 327 D HA 0.358 4.976 4.640 -0.036 0.000 0.259 327 D C -0.964 175.349 176.300 0.022 0.000 1.235 327 D CA -0.225 53.733 54.000 -0.070 0.000 0.924 327 D CB 0.750 41.401 40.800 -0.247 0.000 1.143 327 D HN 0.474 nan 8.370 nan 0.000 0.529 328 Q N 1.375 121.163 119.800 -0.020 0.000 2.495 328 Q HA 0.639 4.958 4.340 -0.036 0.000 0.287 328 Q C -0.866 174.974 176.000 -0.266 0.000 1.078 328 Q CA -1.001 54.736 55.803 -0.111 0.000 0.793 328 Q CB 2.792 31.461 28.738 -0.116 0.000 1.459 328 Q HN 0.323 nan 8.270 nan 0.000 0.422 329 L N 1.127 122.125 121.223 -0.375 0.000 2.386 329 L HA 0.517 4.835 4.340 -0.036 0.000 0.271 329 L C -1.289 175.256 176.870 -0.541 0.000 0.993 329 L CA -0.713 53.922 54.840 -0.341 0.000 0.819 329 L CB 1.683 43.697 42.059 -0.074 0.000 1.294 329 L HN 0.678 nan 8.230 nan 0.000 0.414 330 H N 2.133 121.242 119.070 0.065 0.000 2.786 330 H HA 0.286 4.791 4.556 -0.084 0.000 0.284 330 H C 0.032 175.408 175.328 0.080 0.000 1.104 330 H CA -0.632 55.453 56.048 0.061 0.000 1.339 330 H CB 0.601 30.386 29.762 0.038 0.000 1.427 330 H HN 0.427 nan 8.280 nan 0.000 0.497 331 N N 1.724 120.516 118.700 0.152 0.000 2.405 331 N HA -0.046 4.673 4.740 -0.036 0.000 0.175 331 N C 0.988 176.605 175.510 0.179 0.000 1.051 331 N CA 0.664 53.815 53.050 0.169 0.000 0.899 331 N CB 0.978 39.566 38.487 0.169 0.000 1.000 331 N HN 0.481 nan 8.380 nan 0.000 0.451 332 V N -2.283 117.717 119.914 0.143 0.000 3.111 332 V HA 0.445 4.544 4.120 -0.036 0.000 0.343 332 V C -0.033 176.112 176.094 0.086 0.000 1.417 332 V CA -0.279 62.081 62.300 0.100 0.000 1.142 332 V CB -0.156 31.706 31.823 0.065 0.000 1.114 332 V HN 0.153 nan 8.190 nan 0.000 0.520 333 T N -3.828 110.789 114.554 0.106 0.000 2.816 333 T HA 0.446 4.775 4.350 -0.036 0.000 0.299 333 T C -1.261 173.481 174.700 0.070 0.000 1.230 333 T CA -0.319 61.827 62.100 0.077 0.000 1.007 333 T CB 2.044 70.948 68.868 0.061 0.000 1.289 333 T HN 0.161 nan 8.240 nan 0.000 0.508 334 D N 1.414 121.840 120.400 0.045 0.000 2.358 334 D HA 0.232 4.851 4.640 -0.036 0.000 0.258 334 D C -1.499 174.761 176.300 -0.067 0.000 1.223 334 D CA -1.851 52.175 54.000 0.042 0.000 0.886 334 D CB 1.371 42.230 40.800 0.099 0.000 1.120 334 D HN 0.121 nan 8.370 nan 0.000 0.482 335 P HA -0.154 nan 4.420 nan 0.000 0.217 335 P C 1.640 178.728 177.300 -0.353 0.000 1.151 335 P CA 1.038 63.997 63.100 -0.235 0.000 0.849 335 P CB 0.252 31.945 31.700 -0.012 0.000 0.787 336 I N -0.609 119.815 120.570 -0.243 0.000 2.226 336 I HA -0.229 3.919 4.170 -0.036 0.000 0.245 336 I C 2.201 178.034 176.117 -0.472 0.000 1.100 336 I CA 1.537 62.624 61.300 -0.356 0.000 1.374 336 I CB -0.610 37.145 38.000 -0.408 0.000 1.057 336 I HN 0.039 nan 8.210 nan 0.000 0.413 337 E N 0.228 120.157 120.200 -0.451 0.000 2.107 337 E HA -0.136 4.192 4.350 -0.036 0.000 0.191 337 E C 2.331 178.785 176.600 -0.242 0.000 0.982 337 E CA 1.183 57.377 56.400 -0.343 0.000 0.809 337 E CB -0.048 29.544 29.700 -0.179 0.000 0.756 337 E HN 0.317 nan 8.360 nan 0.000 0.459 338 S N 0.941 116.471 115.700 -0.284 0.000 2.368 338 S HA -0.043 4.406 4.470 -0.036 0.000 0.224 338 S C 1.995 176.442 174.600 -0.254 0.000 1.029 338 S CA 0.612 58.657 58.200 -0.257 0.000 0.988 338 S CB -0.062 62.932 63.200 -0.344 0.000 0.838 338 S HN 0.165 nan 8.310 nan 0.000 0.462 339 L N 0.846 121.848 121.223 -0.369 0.000 2.141 339 L HA -0.060 4.258 4.340 -0.036 0.000 0.209 339 L C 2.104 178.893 176.870 -0.135 0.000 1.094 339 L CA 0.922 55.641 54.840 -0.202 0.000 0.763 339 L CB -0.442 41.496 42.059 -0.202 0.000 0.908 339 L HN 0.317 nan 8.230 nan 0.000 0.437 340 I N -0.052 120.413 120.570 -0.176 0.000 2.142 340 I HA -0.300 3.848 4.170 -0.036 0.000 0.240 340 I C 2.080 178.144 176.117 -0.087 0.000 1.078 340 I CA 1.279 62.498 61.300 -0.135 0.000 1.343 340 I CB -0.297 37.598 38.000 -0.176 0.000 1.046 340 I HN 0.334 nan 8.210 nan 0.000 0.405 341 N N 0.314 118.962 118.700 -0.086 0.000 2.331 341 N HA -0.092 4.626 4.740 -0.036 0.000 0.180 341 N C 1.937 177.426 175.510 -0.035 0.000 1.019 341 N CA 0.973 53.992 53.050 -0.053 0.000 0.881 341 N CB -0.140 38.322 38.487 -0.042 0.000 0.972 341 N HN 0.191 nan 8.380 nan 0.000 0.435 342 S N 0.487 116.171 115.700 -0.026 0.000 2.371 342 S HA 0.026 4.475 4.470 -0.036 0.000 0.224 342 S C 2.057 176.648 174.600 -0.015 0.000 1.029 342 S CA 0.896 59.098 58.200 0.005 0.000 0.978 342 S CB -0.179 63.053 63.200 0.053 0.000 0.833 342 S HN 0.470 nan 8.310 nan 0.000 0.466 343 A N 2.261 125.070 122.820 -0.018 0.000 1.933 343 A HA -0.143 4.156 4.320 -0.036 0.000 0.218 343 A C 1.847 179.405 177.584 -0.044 0.000 1.175 343 A CA 1.560 53.591 52.037 -0.011 0.000 0.628 343 A CB -0.814 18.188 19.000 0.004 0.000 0.814 343 A HN 0.610 nan 8.150 nan 0.000 0.444 344 N N -0.872 117.798 118.700 -0.049 0.000 2.120 344 N HA -0.190 4.528 4.740 -0.036 0.000 0.188 344 N C 1.847 177.299 175.510 -0.097 0.000 1.024 344 N CA 1.281 54.293 53.050 -0.063 0.000 0.852 344 N CB -0.138 38.319 38.487 -0.050 0.000 1.003 344 N HN 0.520 nan 8.380 nan 0.000 0.424 345 E N 1.409 121.559 120.200 -0.084 0.000 2.110 345 E HA -0.088 4.241 4.350 -0.036 0.000 0.193 345 E C 1.738 178.236 176.600 -0.171 0.000 0.988 345 E CA 0.940 57.286 56.400 -0.090 0.000 0.804 345 E CB -0.123 29.553 29.700 -0.039 0.000 0.745 345 E HN 0.348 nan 8.360 nan 0.000 0.458 346 I N -0.119 120.316 120.570 -0.224 0.000 2.252 346 I HA -0.240 3.909 4.170 -0.036 0.000 0.245 346 I C 2.527 178.233 176.117 -0.686 0.000 1.102 346 I CA 1.056 62.100 61.300 -0.426 0.000 1.385 346 I CB -0.213 37.562 38.000 -0.375 0.000 1.064 346 I HN 0.045 nan 8.210 nan 0.000 0.414 347 R N 0.120 120.346 120.500 -0.455 0.000 2.115 347 R HA -0.126 4.192 4.340 -0.036 0.000 0.230 347 R C 2.425 178.506 176.300 -0.365 0.000 1.111 347 R CA 0.886 56.712 56.100 -0.456 0.000 0.976 347 R CB -0.217 29.968 30.300 -0.191 0.000 0.870 347 R HN 0.310 nan 8.270 nan 0.000 0.445 348 R N 0.432 120.767 120.500 -0.275 0.000 2.066 348 R HA -0.100 4.218 4.340 -0.036 0.000 0.232 348 R C 2.115 178.296 176.300 -0.198 0.000 1.131 348 R CA 1.547 57.532 56.100 -0.193 0.000 0.955 348 R CB -0.203 30.021 30.300 -0.127 0.000 0.851 348 R HN 0.180 nan 8.270 nan 0.000 0.432 349 A N 0.071 122.744 122.820 -0.245 0.000 1.902 349 A HA -0.225 4.074 4.320 -0.036 0.000 0.217 349 A C 2.006 179.382 177.584 -0.347 0.000 1.181 349 A CA 1.367 53.330 52.037 -0.123 0.000 0.623 349 A CB -0.880 18.079 19.000 -0.068 0.000 0.818 349 A HN 0.614 nan 8.150 nan 0.000 0.443 350 Y N 0.781 120.424 120.300 -1.095 0.000 2.145 350 Y HA -0.118 4.415 4.550 -0.028 0.000 0.286 350 Y C 2.649 178.266 175.900 -0.472 0.000 1.145 350 Y CA 1.279 58.710 58.100 -1.114 0.000 1.148 350 Y CB -0.786 36.699 38.460 -1.625 0.000 0.981 350 Y HN 0.298 nan 8.280 nan 0.000 0.507 351 A N 0.273 122.805 122.820 -0.480 0.000 1.908 351 A HA -0.273 4.026 4.320 -0.036 0.000 0.218 351 A C 2.116 179.562 177.584 -0.230 0.000 1.181 351 A CA 2.071 53.878 52.037 -0.385 0.000 0.627 351 A CB -0.810 18.057 19.000 -0.222 0.000 0.818 351 A HN 0.701 nan 8.150 nan 0.000 0.445 352 Q N -0.715 119.034 119.800 -0.085 0.000 2.119 352 Q HA -0.056 4.263 4.340 -0.036 0.000 0.201 352 Q C 2.374 178.542 176.000 0.280 0.000 0.972 352 Q CA 1.251 57.112 55.803 0.096 0.000 0.847 352 Q CB -0.398 28.433 28.738 0.156 0.000 0.903 352 Q HN 0.688 nan 8.270 nan 0.000 0.433 353 A N 0.925 123.850 122.820 0.176 0.000 1.972 353 A HA -0.141 4.158 4.320 -0.036 0.000 0.219 353 A C 2.004 179.547 177.584 -0.067 0.000 1.169 353 A CA 1.035 53.074 52.037 0.004 0.000 0.635 353 A CB -0.556 18.362 19.000 -0.137 0.000 0.810 353 A HN 0.297 nan 8.150 nan 0.000 0.446 354 L N -0.744 120.357 121.223 -0.203 0.000 2.291 354 L HA -0.058 4.261 4.340 -0.036 0.000 0.214 354 L C 2.038 178.851 176.870 -0.094 0.000 1.120 354 L CA 0.498 55.215 54.840 -0.206 0.000 0.799 354 L CB -0.360 41.488 42.059 -0.352 0.000 0.925 354 L HN 0.366 nan 8.230 nan 0.000 0.446 355 L N -0.768 120.426 121.223 -0.048 0.000 2.492 355 L HA 0.024 4.342 4.340 -0.036 0.000 0.223 355 L C 0.792 177.679 176.870 0.028 0.000 1.132 355 L CA -0.245 54.584 54.840 -0.018 0.000 0.850 355 L CB -0.141 41.904 42.059 -0.023 0.000 0.966 355 L HN -0.040 nan 8.230 nan 0.000 0.454 356 V N 1.275 121.232 119.914 0.072 0.000 2.557 356 V HA -0.123 3.976 4.120 -0.036 0.000 0.301 356 V C 0.488 176.614 176.094 0.053 0.000 1.026 356 V CA 0.153 62.511 62.300 0.097 0.000 1.137 356 V CB 0.543 32.438 31.823 0.121 0.000 0.917 356 V HN 0.149 nan 8.190 nan 0.000 0.484 357 D N 5.035 125.470 120.400 0.059 0.000 2.435 357 D HA 0.112 4.731 4.640 -0.036 0.000 0.230 357 D C 1.260 177.584 176.300 0.039 0.000 1.215 357 D CA -0.112 53.911 54.000 0.039 0.000 0.947 357 D CB 0.348 41.175 40.800 0.045 0.000 1.048 357 D HN 0.461 nan 8.370 nan 0.000 0.512 358 R N 2.130 122.643 120.500 0.021 0.000 2.280 358 R HA 0.008 4.326 4.340 -0.036 0.000 0.207 358 R C 1.795 178.090 176.300 -0.008 0.000 1.043 358 R CA 0.724 56.833 56.100 0.013 0.000 1.006 358 R CB 0.240 30.543 30.300 0.006 0.000 0.885 358 R HN 0.350 nan 8.270 nan 0.000 0.467 359 A N 1.279 124.087 122.820 -0.020 0.000 1.874 359 A HA 0.010 4.308 4.320 -0.036 0.000 0.214 359 A C 2.341 179.872 177.584 -0.089 0.000 1.189 359 A CA 1.307 53.316 52.037 -0.046 0.000 0.615 359 A CB -0.492 18.483 19.000 -0.041 0.000 0.830 359 A HN 0.326 nan 8.150 nan 0.000 0.443 360 A N -0.431 122.337 122.820 -0.086 0.000 1.873 360 A HA -0.020 4.278 4.320 -0.036 0.000 0.215 360 A C 2.128 179.592 177.584 -0.200 0.000 1.186 360 A CA 1.712 53.633 52.037 -0.193 0.000 0.616 360 A CB -0.685 18.293 19.000 -0.038 0.000 0.823 360 A HN 0.641 nan 8.150 nan 0.000 0.442 361 L N -0.013 121.225 121.223 0.026 0.000 2.042 361 L HA -0.134 4.184 4.340 -0.036 0.000 0.210 361 L C 2.599 179.493 176.870 0.039 0.000 1.076 361 L CA 2.572 57.485 54.840 0.122 0.000 0.749 361 L CB -0.816 41.305 42.059 0.103 0.000 0.893 361 L HN 0.362 nan 8.230 nan 0.000 0.432 362 S N -0.737 114.950 115.700 -0.021 0.000 2.383 362 S HA -0.158 4.291 4.470 -0.036 0.000 0.229 362 S C 2.015 176.578 174.600 -0.061 0.000 1.030 362 S CA 1.379 59.559 58.200 -0.032 0.000 1.002 362 S CB -0.810 62.365 63.200 -0.042 0.000 0.829 362 S HN 0.679 nan 8.310 nan 0.000 0.467 363 G N -0.717 107.991 108.800 -0.153 0.000 2.394 363 G HA2 -0.112 3.827 3.960 -0.036 0.000 0.215 363 G HA3 -0.112 3.827 3.960 -0.036 0.000 0.215 363 G C 1.125 175.940 174.900 -0.142 0.000 1.165 363 G CA 0.765 45.742 45.100 -0.205 0.000 0.784 363 G HN 0.581 nan 8.290 nan 0.000 0.535 364 Y N 1.036 121.338 120.300 0.003 0.000 2.293 364 Y HA -0.051 4.477 4.550 -0.036 0.000 0.291 364 Y C 3.089 178.991 175.900 0.003 0.000 1.137 364 Y CA 1.110 59.213 58.100 0.005 0.000 1.202 364 Y CB -0.480 37.986 38.460 0.009 0.000 0.990 364 Y HN 0.285 nan 8.280 nan 0.000 0.537 365 Q N -0.432 119.451 119.800 0.139 0.000 2.079 365 Q HA -0.204 4.114 4.340 -0.036 0.000 0.200 365 Q C 2.100 178.129 176.000 0.048 0.000 0.974 365 Q CA 1.464 57.314 55.803 0.078 0.000 0.840 365 Q CB -0.133 28.634 28.738 0.049 0.000 0.898 365 Q HN 0.303 nan 8.270 nan 0.000 0.430 366 E N 1.452 121.669 120.200 0.028 0.000 2.077 366 E HA -0.173 4.155 4.350 -0.036 0.000 0.193 366 E C 0.797 177.412 176.600 0.024 0.000 0.989 366 E CA 1.290 57.698 56.400 0.013 0.000 0.800 366 E CB -0.022 29.673 29.700 -0.008 0.000 0.746 366 E HN 0.222 nan 8.360 nan 0.000 0.452 367 D N -0.017 120.408 120.400 0.041 0.000 2.319 367 D HA 0.026 4.645 4.640 -0.036 0.000 0.230 367 D C -0.436 175.900 176.300 0.061 0.000 1.094 367 D CA 0.151 54.181 54.000 0.051 0.000 0.856 367 D CB -0.483 40.357 40.800 0.065 0.000 0.915 367 D HN 0.258 nan 8.370 nan 0.000 0.517 368 N N 1.538 120.274 118.700 0.060 0.000 2.727 368 N HA -0.189 4.530 4.740 -0.036 0.000 0.249 368 N C -0.660 174.882 175.510 0.053 0.000 1.048 368 N CA 0.381 53.460 53.050 0.049 0.000 0.714 368 N CB -0.588 37.918 38.487 0.031 0.000 0.959 368 N HN 0.102 nan 8.380 nan 0.000 0.544 369 D N -0.080 120.372 120.400 0.086 0.000 2.564 369 D HA 0.449 5.067 4.640 -0.036 0.000 0.226 369 D C 1.086 177.386 176.300 0.001 0.000 1.149 369 D CA 0.214 54.247 54.000 0.055 0.000 0.994 369 D CB 0.140 41.021 40.800 0.136 0.000 1.029 369 D HN 0.377 nan 8.370 nan 0.000 0.517 370 A N 3.309 126.128 122.820 -0.002 0.000 1.917 370 A HA -0.188 4.110 4.320 -0.036 0.000 0.219 370 A C 2.092 179.647 177.584 -0.048 0.000 1.182 370 A CA 1.035 53.065 52.037 -0.011 0.000 0.633 370 A CB -0.500 18.498 19.000 -0.003 0.000 0.819 370 A HN 0.600 nan 8.150 nan 0.000 0.448 371 L N -1.495 119.684 121.223 -0.073 0.000 2.046 371 L HA -0.151 4.167 4.340 -0.036 0.000 0.208 371 L C 2.426 179.191 176.870 -0.176 0.000 1.077 371 L CA 1.596 56.378 54.840 -0.096 0.000 0.747 371 L CB -0.179 41.830 42.059 -0.083 0.000 0.896 371 L HN 0.279 nan 8.230 nan 0.000 0.432 372 M N -0.794 118.612 119.600 -0.323 0.000 2.349 372 M HA -0.022 4.437 4.480 -0.036 0.000 0.266 372 M C 2.370 178.336 176.300 -0.557 0.000 1.076 372 M CA 1.340 56.261 55.300 -0.632 0.000 1.126 372 M CB -1.280 30.533 32.600 -1.312 0.000 1.392 372 M HN 0.437 nan 8.290 nan 0.000 0.440 373 A N -0.613 122.038 122.820 -0.281 0.000 1.873 373 A HA -0.144 4.155 4.320 -0.036 0.000 0.215 373 A C 2.371 179.964 177.584 0.016 0.000 1.186 373 A CA 2.295 54.327 52.037 -0.009 0.000 0.616 373 A CB -1.118 17.923 19.000 0.069 0.000 0.823 373 A HN 0.409 nan 8.150 nan 0.000 0.442 374 T N -0.987 113.563 114.554 -0.006 0.000 2.867 374 T HA -0.113 4.215 4.350 -0.036 0.000 0.268 374 T C 1.908 176.634 174.700 0.043 0.000 1.057 374 T CA 1.777 63.904 62.100 0.045 0.000 1.136 374 T CB -0.208 68.682 68.868 0.037 0.000 0.874 374 T HN 0.602 nan 8.240 nan 0.000 0.466 375 E N 0.433 120.616 120.200 -0.028 0.000 2.150 375 E HA -0.069 4.259 4.350 -0.036 0.000 0.193 375 E C 2.128 178.735 176.600 0.011 0.000 0.985 375 E CA 1.490 57.871 56.400 -0.031 0.000 0.814 375 E CB -0.563 29.083 29.700 -0.090 0.000 0.752 375 E HN 0.389 nan 8.360 nan 0.000 0.466 376 T N 0.539 115.112 114.554 0.031 0.000 2.821 376 T HA -0.097 4.231 4.350 -0.036 0.000 0.267 376 T C 1.464 176.247 174.700 0.138 0.000 1.046 376 T CA 1.120 63.282 62.100 0.104 0.000 1.139 376 T CB -0.161 68.819 68.868 0.186 0.000 0.871 376 T HN 0.069 nan 8.240 nan 0.000 0.454 377 L N 0.828 122.156 121.223 0.175 0.000 2.072 377 L HA 0.061 4.379 4.340 -0.036 0.000 0.205 377 L C 2.448 179.460 176.870 0.236 0.000 1.079 377 L CA 1.503 56.522 54.840 0.299 0.000 0.752 377 L CB -0.539 41.738 42.059 0.364 0.000 0.906 377 L HN -0.015 nan 8.230 nan 0.000 0.436 378 K N -0.134 120.360 120.400 0.157 0.000 2.097 378 K HA -0.107 4.192 4.320 -0.036 0.000 0.206 378 K C 2.198 178.804 176.600 0.010 0.000 1.049 378 K CA 1.102 57.431 56.287 0.070 0.000 0.933 378 K CB -0.294 32.211 32.500 0.009 0.000 0.717 378 K HN 0.308 nan 8.250 nan 0.000 0.442 379 R N 0.093 120.604 120.500 0.018 0.000 2.152 379 R HA -0.085 4.234 4.340 -0.036 0.000 0.232 379 R C 2.207 178.490 176.300 -0.029 0.000 1.117 379 R CA 1.242 57.336 56.100 -0.011 0.000 0.981 379 R CB -0.198 30.108 30.300 0.009 0.000 0.870 379 R HN 0.165 nan 8.270 nan 0.000 0.451 380 A N 0.011 122.834 122.820 0.006 0.000 1.878 380 A HA -0.143 4.156 4.320 -0.036 0.000 0.213 380 A C 1.897 179.396 177.584 -0.141 0.000 1.192 380 A CA 0.631 52.666 52.037 -0.004 0.000 0.619 380 A CB -0.627 18.465 19.000 0.153 0.000 0.837 380 A HN 0.389 nan 8.150 nan 0.000 0.446 381 Y N 0.998 121.012 120.300 -0.477 0.000 2.224 381 Y HA -0.151 4.375 4.550 -0.039 0.000 0.289 381 Y C 2.312 177.999 175.900 -0.356 0.000 1.146 381 Y CA 1.851 59.526 58.100 -0.707 0.000 1.182 381 Y CB -0.212 37.655 38.460 -0.988 0.000 0.983 381 Y HN 0.227 nan 8.280 nan 0.000 0.524 382 R N -0.263 120.011 120.500 -0.378 0.000 2.235 382 R HA -0.013 4.305 4.340 -0.036 0.000 0.213 382 R C 0.437 176.549 176.300 -0.313 0.000 1.059 382 R CA 0.923 56.795 56.100 -0.378 0.000 0.997 382 R CB -0.567 29.612 30.300 -0.201 0.000 0.884 382 R HN 0.173 nan 8.270 nan 0.000 0.462 383 T N 1.605 116.006 114.554 -0.256 0.000 2.888 383 T HA -0.038 4.291 4.350 -0.036 0.000 0.301 383 T C -0.114 174.456 174.700 -0.216 0.000 1.001 383 T CA -0.053 61.930 62.100 -0.196 0.000 1.147 383 T CB 0.906 69.685 68.868 -0.148 0.000 0.931 383 T HN -0.003 nan 8.240 nan 0.000 0.541 384 D N 3.090 123.385 120.400 -0.176 0.000 2.374 384 D HA 0.124 4.742 4.640 -0.036 0.000 0.240 384 D C 1.078 177.299 176.300 -0.131 0.000 1.229 384 D CA -0.730 53.175 54.000 -0.159 0.000 0.895 384 D CB 0.421 41.144 40.800 -0.128 0.000 1.046 384 D HN 0.331 nan 8.370 nan 0.000 0.498 385 V N 1.653 121.488 119.914 -0.132 0.000 3.633 385 V HA 0.128 4.227 4.120 -0.036 0.000 0.283 385 V C 1.702 177.754 176.094 -0.070 0.000 1.305 385 V CA 0.088 62.324 62.300 -0.107 0.000 1.153 385 V CB 0.012 31.765 31.823 -0.116 0.000 0.950 385 V HN 0.296 nan 8.190 nan 0.000 0.432 386 E N 2.584 122.744 120.200 -0.067 0.000 2.130 386 E HA -0.125 4.204 4.350 -0.036 0.000 0.196 386 E C -0.186 176.415 176.600 0.001 0.000 0.998 386 E CA 2.323 58.699 56.400 -0.040 0.000 0.806 386 E CB -1.428 28.246 29.700 -0.044 0.000 0.738 386 E HN 0.518 nan 8.360 nan 0.000 0.459 387 P HA -0.080 nan 4.420 nan 0.000 0.217 387 P C 1.211 178.645 177.300 0.223 0.000 1.150 387 P CA 1.184 64.354 63.100 0.117 0.000 0.832 387 P CB -0.012 31.755 31.700 0.112 0.000 0.787 388 I N -1.716 118.943 120.570 0.148 0.000 2.252 388 I HA -0.205 3.944 4.170 -0.036 0.000 0.245 388 I C 1.864 178.036 176.117 0.092 0.000 1.102 388 I CA 1.101 62.511 61.300 0.183 0.000 1.385 388 I CB -0.563 37.465 38.000 0.046 0.000 1.064 388 I HN -0.098 nan 8.210 nan 0.000 0.414 389 L N 0.729 121.970 121.223 0.029 0.000 2.056 389 L HA -0.127 4.192 4.340 -0.036 0.000 0.207 389 L C 2.688 179.562 176.870 0.007 0.000 1.078 389 L CA 2.058 56.899 54.840 0.002 0.000 0.749 389 L CB -1.339 40.704 42.059 -0.027 0.000 0.901 389 L HN 0.183 nan 8.230 nan 0.000 0.433 390 A N -0.786 122.041 122.820 0.012 0.000 1.898 390 A HA -0.214 4.084 4.320 -0.036 0.000 0.216 390 A C 2.309 179.878 177.584 -0.025 0.000 1.181 390 A CA 1.640 53.675 52.037 -0.003 0.000 0.620 390 A CB -0.470 18.531 19.000 0.001 0.000 0.819 390 A HN 0.395 nan 8.150 nan 0.000 0.442 391 E N 0.489 120.668 120.200 -0.036 0.000 2.106 391 E HA -0.014 4.314 4.350 -0.036 0.000 0.192 391 E C 1.919 178.469 176.600 -0.082 0.000 0.984 391 E CA 1.492 57.808 56.400 -0.140 0.000 0.806 391 E CB -0.496 28.977 29.700 -0.378 0.000 0.750 391 E HN 0.436 nan 8.360 nan 0.000 0.458 392 A N 0.914 123.723 122.820 -0.020 0.000 1.902 392 A HA -0.181 4.118 4.320 -0.036 0.000 0.217 392 A C 2.253 179.838 177.584 0.002 0.000 1.181 392 A CA 1.672 53.709 52.037 0.001 0.000 0.623 392 A CB -0.468 18.544 19.000 0.021 0.000 0.818 392 A HN 0.228 nan 8.150 nan 0.000 0.443 393 R N -1.096 119.404 120.500 -0.001 0.000 2.066 393 R HA -0.092 4.227 4.340 -0.036 0.000 0.232 393 R C 2.547 178.842 176.300 -0.008 0.000 1.131 393 R CA 1.348 57.450 56.100 0.004 0.000 0.955 393 R CB -0.361 29.940 30.300 0.000 0.000 0.851 393 R HN 0.560 nan 8.270 nan 0.000 0.432 394 R N 1.350 121.832 120.500 -0.030 0.000 2.083 394 R HA -0.153 4.166 4.340 -0.036 0.000 0.237 394 R C 2.097 178.376 176.300 -0.036 0.000 1.137 394 R CA 1.668 57.743 56.100 -0.041 0.000 0.951 394 R CB -0.055 30.203 30.300 -0.069 0.000 0.851 394 R HN 0.175 nan 8.270 nan 0.000 0.434 395 R N -0.586 119.891 120.500 -0.039 0.000 2.148 395 R HA -0.055 4.264 4.340 -0.036 0.000 0.227 395 R C 1.694 177.994 176.300 0.001 0.000 1.103 395 R CA 1.689 57.773 56.100 -0.026 0.000 0.983 395 R CB -0.067 30.216 30.300 -0.028 0.000 0.874 395 R HN 0.381 nan 8.270 nan 0.000 0.451 396 T N -3.584 110.979 114.554 0.015 0.000 3.145 396 T HA 0.312 4.641 4.350 -0.036 0.000 0.255 396 T C 1.112 175.834 174.700 0.038 0.000 1.039 396 T CA 0.217 62.340 62.100 0.037 0.000 0.928 396 T CB 1.102 70.009 68.868 0.064 0.000 1.029 396 T HN 0.350 nan 8.240 nan 0.000 0.554 397 G N 0.049 108.861 108.800 0.021 0.000 2.157 397 G HA2 -0.047 3.891 3.960 -0.036 0.000 0.239 397 G HA3 -0.047 3.891 3.960 -0.036 0.000 0.239 397 G C 0.450 175.360 174.900 0.018 0.000 0.982 397 G CA -0.264 44.848 45.100 0.021 0.000 0.650 397 G HN 1.005 nan 8.290 nan 0.000 0.527 398 G N -0.445 108.364 108.800 0.015 0.000 2.532 398 G HA2 0.818 4.757 3.960 -0.036 0.000 0.291 398 G HA3 0.818 4.757 3.960 -0.036 0.000 0.291 398 G C 0.213 175.111 174.900 -0.003 0.000 1.349 398 G CA 0.214 45.321 45.100 0.011 0.000 1.038 398 G HN 1.511 nan 8.290 nan 0.000 0.518 399 A N -1.208 121.610 122.820 -0.002 0.000 2.305 399 A HA 0.548 4.847 4.320 -0.036 0.000 0.322 399 A C 1.166 178.745 177.584 -0.008 0.000 1.187 399 A CA -0.506 51.527 52.037 -0.005 0.000 0.825 399 A CB 1.564 20.566 19.000 0.004 0.000 1.164 399 A HN 0.669 nan 8.150 nan 0.000 0.498 400 V N 1.372 121.278 119.914 -0.014 0.000 2.392 400 V HA -0.109 3.990 4.120 -0.036 0.000 0.249 400 V C 0.793 176.881 176.094 -0.009 0.000 1.059 400 V CA 2.367 64.657 62.300 -0.015 0.000 1.051 400 V CB -0.320 31.492 31.823 -0.019 0.000 0.658 400 V HN 0.878 nan 8.190 nan 0.000 0.455 401 D N -0.727 119.670 120.400 -0.004 0.000 2.408 401 D HA 0.200 4.818 4.640 -0.036 0.000 0.261 401 D C -1.707 174.599 176.300 0.010 0.000 1.190 401 D CA -1.927 52.074 54.000 0.001 0.000 0.910 401 D CB 2.014 42.816 40.800 0.003 0.000 1.097 401 D HN 0.109 nan 8.370 nan 0.000 0.522 402 P HA -0.157 nan 4.420 nan 0.000 0.215 402 P C 1.597 178.923 177.300 0.043 0.000 1.157 402 P CA 0.616 63.722 63.100 0.012 0.000 0.868 402 P CB 0.619 32.309 31.700 -0.017 0.000 0.788 403 V N 0.615 120.547 119.914 0.030 0.000 2.427 403 V HA -0.184 3.915 4.120 -0.036 0.000 0.248 403 V C 2.899 179.070 176.094 0.129 0.000 1.051 403 V CA 2.052 64.397 62.300 0.076 0.000 1.048 403 V CB -1.687 30.155 31.823 0.031 0.000 0.666 403 V HN 0.110 nan 8.190 nan 0.000 0.456 404 A N -0.199 122.663 122.820 0.071 0.000 1.898 404 A HA -0.203 4.096 4.320 -0.036 0.000 0.216 404 A C 2.390 180.009 177.584 0.057 0.000 1.181 404 A CA 2.408 54.478 52.037 0.055 0.000 0.620 404 A CB -0.875 18.142 19.000 0.028 0.000 0.819 404 A HN 0.492 nan 8.150 nan 0.000 0.442 405 T N -1.620 112.971 114.554 0.061 0.000 2.867 405 T HA -0.115 4.214 4.350 -0.036 0.000 0.268 405 T C 1.750 176.496 174.700 0.077 0.000 1.057 405 T CA 1.471 63.601 62.100 0.050 0.000 1.136 405 T CB -0.378 68.512 68.868 0.037 0.000 0.874 405 T HN 0.583 nan 8.240 nan 0.000 0.466 406 Y N 2.349 122.644 120.300 -0.009 0.000 2.145 406 Y HA -0.107 4.435 4.550 -0.012 0.000 0.286 406 Y C 2.426 178.345 175.900 0.031 0.000 1.145 406 Y CA 1.257 59.357 58.100 -0.001 0.000 1.148 406 Y CB -0.195 38.256 38.460 -0.016 0.000 0.981 406 Y HN -0.015 nan 8.280 nan 0.000 0.507 407 R N -0.062 120.426 120.500 -0.019 0.000 2.092 407 R HA -0.095 4.224 4.340 -0.036 0.000 0.231 407 R C 2.446 178.688 176.300 -0.097 0.000 1.119 407 R CA 1.022 57.061 56.100 -0.102 0.000 0.970 407 R CB -0.578 29.736 30.300 0.024 0.000 0.864 407 R HN 0.445 nan 8.270 nan 0.000 0.440 408 A N 1.042 123.834 122.820 -0.046 0.000 2.015 408 A HA -0.147 4.151 4.320 -0.036 0.000 0.219 408 A C 2.190 179.746 177.584 -0.047 0.000 1.163 408 A CA 1.680 53.696 52.037 -0.035 0.000 0.646 408 A CB -0.355 18.637 19.000 -0.014 0.000 0.806 408 A HN 0.422 nan 8.150 nan 0.000 0.448 409 S N -1.525 114.136 115.700 -0.065 0.000 2.414 409 S HA 0.294 4.742 4.470 -0.036 0.000 0.227 409 S C 1.547 176.116 174.600 -0.051 0.000 1.022 409 S CA 1.196 59.371 58.200 -0.041 0.000 0.958 409 S CB -0.657 62.535 63.200 -0.014 0.000 0.797 409 S HN 1.946 nan 8.310 nan 0.000 0.493 410 G N 0.407 109.136 108.800 -0.117 0.000 2.160 410 G HA2 -0.347 3.591 3.960 -0.036 0.000 0.244 410 G HA3 -0.347 3.591 3.960 -0.036 0.000 0.244 410 G C 0.143 174.987 174.900 -0.094 0.000 1.022 410 G CA 0.395 45.431 45.100 -0.107 0.000 0.741 410 G HN 0.589 nan 8.290 nan 0.000 0.508 411 Y N 0.676 120.818 120.300 -0.264 0.000 2.181 411 Y HA -0.118 4.413 4.550 -0.031 0.000 0.288 411 Y C 2.760 178.601 175.900 -0.099 0.000 1.146 411 Y CA 2.626 60.628 58.100 -0.163 0.000 1.164 411 Y CB -0.139 38.233 38.460 -0.147 0.000 0.982 411 Y HN 0.347 nan 8.280 nan 0.000 0.515 412 R N 0.955 121.397 120.500 -0.098 0.000 2.070 412 R HA -0.135 4.183 4.340 -0.036 0.000 0.233 412 R C 2.322 178.562 176.300 -0.101 0.000 1.137 412 R CA 1.907 57.984 56.100 -0.038 0.000 0.945 412 R CB -1.293 29.042 30.300 0.058 0.000 0.845 412 R HN 0.383 nan 8.270 nan 0.000 0.430 413 A N 0.986 123.750 122.820 -0.093 0.000 1.940 413 A HA -0.201 4.098 4.320 -0.036 0.000 0.219 413 A C 2.289 179.812 177.584 -0.101 0.000 1.176 413 A CA 1.748 53.741 52.037 -0.074 0.000 0.631 413 A CB -0.696 18.269 19.000 -0.059 0.000 0.814 413 A HN 0.471 nan 8.150 nan 0.000 0.446 414 R N 0.222 120.632 120.500 -0.151 0.000 2.070 414 R HA -0.128 4.190 4.340 -0.036 0.000 0.233 414 R C 2.033 178.215 176.300 -0.196 0.000 1.137 414 R CA 2.392 58.392 56.100 -0.167 0.000 0.945 414 R CB -0.673 29.508 30.300 -0.198 0.000 0.845 414 R HN 0.505 nan 8.270 nan 0.000 0.430 415 V N -1.325 118.399 119.914 -0.317 0.000 2.759 415 V HA 0.036 4.135 4.120 -0.036 0.000 0.256 415 V C 2.324 178.350 176.094 -0.113 0.000 1.080 415 V CA 1.479 63.632 62.300 -0.245 0.000 1.101 415 V CB -0.911 30.714 31.823 -0.331 0.000 0.698 415 V HN 0.403 nan 8.190 nan 0.000 0.477 416 A N 0.694 123.459 122.820 -0.092 0.000 1.969 416 A HA 0.197 4.495 4.320 -0.036 0.000 0.218 416 A C 2.402 179.966 177.584 -0.032 0.000 1.169 416 A CA 1.892 53.905 52.037 -0.040 0.000 0.635 416 A CB -0.747 18.236 19.000 -0.027 0.000 0.810 416 A HN 0.892 nan 8.150 nan 0.000 0.445 417 A N -0.287 122.506 122.820 -0.046 0.000 2.021 417 A HA 0.005 4.304 4.320 -0.036 0.000 0.216 417 A C 1.822 179.390 177.584 -0.027 0.000 1.163 417 A CA 1.205 53.223 52.037 -0.032 0.000 0.676 417 A CB -0.256 18.722 19.000 -0.035 0.000 0.818 417 A HN 0.611 nan 8.150 nan 0.000 0.453 418 E N -0.257 119.920 120.200 -0.038 0.000 2.170 418 E HA 0.002 4.330 4.350 -0.036 0.000 0.191 418 E C 0.236 176.831 176.600 -0.009 0.000 0.981 418 E CA 0.220 56.605 56.400 -0.025 0.000 0.830 418 E CB 0.096 29.774 29.700 -0.035 0.000 0.775 418 E HN 0.449 nan 8.360 nan 0.000 0.470 419 R N 2.435 122.930 120.500 -0.009 0.000 2.294 419 R HA 0.265 4.584 4.340 -0.036 0.000 0.319 419 R C -2.376 173.932 176.300 0.013 0.000 0.984 419 R CA -1.870 54.236 56.100 0.009 0.000 0.861 419 R CB 0.826 31.135 30.300 0.015 0.000 1.104 419 R HN -0.006 nan 8.270 nan 0.000 0.451 420 P HA 0.141 nan 4.420 nan 0.000 0.280 420 P C -0.844 176.469 177.300 0.023 0.000 1.244 420 P CA -0.379 62.732 63.100 0.018 0.000 0.784 420 P CB 1.397 33.108 31.700 0.019 0.000 0.913 421 A N 2.840 125.673 122.820 0.022 0.000 2.371 421 A HA 0.289 4.587 4.320 -0.036 0.000 0.257 421 A C 0.696 178.293 177.584 0.023 0.000 1.089 421 A CA -0.290 51.762 52.037 0.024 0.000 0.794 421 A CB -0.135 18.880 19.000 0.025 0.000 1.029 421 A HN 0.556 nan 8.150 nan 0.000 0.488 422 S N 1.075 116.788 115.700 0.022 0.000 2.516 422 S HA 0.228 4.677 4.470 -0.036 0.000 0.282 422 S C 0.949 175.558 174.600 0.016 0.000 1.286 422 S CA -0.365 57.846 58.200 0.018 0.000 1.066 422 S CB 0.251 63.459 63.200 0.013 0.000 0.884 422 S HN 0.611 nan 8.310 nan 0.000 0.491 423 V N 4.755 124.678 119.914 0.016 0.000 2.795 423 V HA 0.307 4.405 4.120 -0.036 0.000 0.243 423 V C 1.240 177.342 176.094 0.012 0.000 1.069 423 V CA 1.202 63.511 62.300 0.015 0.000 1.089 423 V CB -0.747 31.085 31.823 0.015 0.000 0.756 423 V HN 0.920 nan 8.190 nan 0.000 0.471 424 A N 0.000 122.827 122.820 0.011 0.000 2.254 424 A HA 0.000 4.299 4.320 -0.036 0.000 0.244 424 A CA 0.000 52.042 52.037 0.009 0.000 0.836 424 A CB 0.000 19.006 19.000 0.011 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486