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 1ohy_1_B DATA FIRST_RESID 11 DATA SEQUENCE FDYDGPLMKT EVPGPRSREL MKQLNIIQNA EAVHFFCNYE ESRGNYLVDV DATA SEQUENCE DGNRMLDLYS QISSIPIGYS HPALVKLVQQ PQNVSTFINR PALGILPPEN DATA SEQUENCE FVEKLRESLL SVAPKGMSQL ITMACGSCSN ENAFKTIFMW YRSKERGQSA DATA SEQUENCE FSKEELETCM INQAPGCPDY SILSFMGAFH GRTMGCLATT HSKAIHKIDI DATA SEQUENCE PSFDWPIAPF PRLKYPLEEF VKENQQEEAR CLEEVEDLIV KYRKKKKTVA DATA SEQUENCE GIIVEPIQSE GGDNHASDDF FRKLRDISRK HGCAFLVDEV QTGGGSTGKF DATA SEQUENCE WAHEHWGLDD PADVMTFSKK MMTGGFFHKE EFRPNAPYRI FNTWLGDPSK DATA SEQUENCE NLLLAEVINI IKREDLLSNA AHAGKVLLTG LLDLQARYPQ FISRVRGRGT DATA SEQUENCE FCSFDTPDES IRNKLISIAR NKGVMLGGCG DKSIRFRPTL VFRDHHAHLF DATA SEQUENCE LNIFSDILAD F 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.788 175.800 -0.021 0.000 0.967 11 F CA 0.000 57.948 58.000 -0.087 0.000 1.383 11 F CB 0.000 38.929 39.000 -0.119 0.000 1.145 12 D N 1.292 121.688 120.400 -0.006 0.000 2.927 12 D HA 0.598 5.229 4.640 -0.014 0.000 0.219 12 D C -0.815 175.482 176.300 -0.005 0.000 1.248 12 D CA -0.155 53.920 54.000 0.125 0.000 0.861 12 D CB 1.994 42.974 40.800 0.300 0.000 1.677 12 D HN 0.530 nan 8.370 nan 0.000 0.511 13 Y N 0.659 120.967 120.300 0.014 0.000 2.279 13 Y HA 0.273 4.814 4.550 -0.014 0.000 0.350 13 Y C 2.069 177.831 175.900 -0.230 0.000 1.288 13 Y CA 0.948 58.904 58.100 -0.239 0.000 1.547 13 Y CB 0.482 38.621 38.460 -0.534 0.000 1.381 13 Y HN 0.609 nan 8.280 nan 0.000 0.630 14 D N -0.304 120.081 120.400 -0.026 0.000 2.249 14 D HA 0.381 5.013 4.640 -0.014 0.000 0.205 14 D C 0.877 177.175 176.300 -0.003 0.000 0.962 14 D CA 1.183 55.174 54.000 -0.016 0.000 0.860 14 D CB -0.130 40.662 40.800 -0.015 0.000 0.955 14 D HN 0.836 nan 8.370 nan 0.000 0.505 15 G N -1.252 107.459 108.800 -0.149 0.000 2.342 15 G HA2 0.482 4.433 3.960 -0.014 0.000 0.297 15 G HA3 0.482 4.433 3.960 -0.014 0.000 0.297 15 G C -3.252 171.604 174.900 -0.073 0.000 1.313 15 G CA -0.270 44.847 45.100 0.027 0.000 0.830 15 G HN 0.108 nan 8.290 nan 0.000 0.506 16 P HA 0.555 nan 4.420 nan 0.000 0.274 16 P C -0.215 177.097 177.300 0.019 0.000 1.231 16 P CA -0.082 63.116 63.100 0.163 0.000 0.790 16 P CB 1.133 32.968 31.700 0.226 0.000 0.951 17 L N 2.415 123.619 121.223 -0.032 0.000 2.555 17 L HA 0.550 4.882 4.340 -0.014 0.000 0.264 17 L C -0.487 176.349 176.870 -0.057 0.000 0.972 17 L CA -0.877 53.933 54.840 -0.050 0.000 0.876 17 L CB 1.233 43.243 42.059 -0.082 0.000 1.216 17 L HN 0.201 nan 8.230 nan 0.000 0.415 18 M N 1.907 121.483 119.600 -0.040 0.000 2.188 18 M HA 0.483 4.955 4.480 -0.014 0.000 0.357 18 M C 0.875 177.144 176.300 -0.052 0.000 1.204 18 M CA -0.204 55.064 55.300 -0.053 0.000 1.095 18 M CB 1.202 33.775 32.600 -0.046 0.000 1.604 18 M HN 0.739 nan 8.290 nan 0.000 0.464 19 K N 0.655 121.019 120.400 -0.061 0.000 2.287 19 K HA 0.092 4.404 4.320 -0.014 0.000 0.199 19 K C 0.850 177.421 176.600 -0.048 0.000 1.061 19 K CA 0.736 56.992 56.287 -0.050 0.000 0.976 19 K CB 0.572 33.041 32.500 -0.051 0.000 0.898 19 K HN 0.855 nan 8.250 nan 0.000 0.492 20 T N -0.234 114.285 114.554 -0.060 0.000 2.864 20 T HA 0.292 4.634 4.350 -0.014 0.000 0.289 20 T C -1.092 173.568 174.700 -0.067 0.000 1.082 20 T CA -1.066 61.001 62.100 -0.056 0.000 1.009 20 T CB 1.828 70.665 68.868 -0.052 0.000 1.234 20 T HN -0.074 nan 8.240 nan 0.000 0.526 21 E N 0.473 120.639 120.200 -0.055 0.000 2.404 21 E HA 0.492 4.833 4.350 -0.014 0.000 0.261 21 E C -0.578 175.975 176.600 -0.079 0.000 1.074 21 E CA -0.629 55.736 56.400 -0.059 0.000 0.917 21 E CB 0.222 29.899 29.700 -0.038 0.000 0.965 21 E HN 0.526 nan 8.360 nan 0.000 0.433 22 V N 2.968 122.823 119.914 -0.098 0.000 2.448 22 V HA 0.409 4.521 4.120 -0.014 0.000 0.295 22 V C -2.025 174.042 176.094 -0.046 0.000 1.025 22 V CA -1.856 60.362 62.300 -0.137 0.000 0.859 22 V CB 1.453 33.095 31.823 -0.302 0.000 0.988 22 V HN 0.755 nan 8.190 nan 0.000 0.431 23 P HA 0.288 nan 4.420 nan 0.000 0.275 23 P C 0.152 177.459 177.300 0.013 0.000 1.228 23 P CA 0.142 63.275 63.100 0.054 0.000 0.786 23 P CB 1.309 33.107 31.700 0.164 0.000 0.927 24 G N 2.143 110.943 108.800 -0.001 0.000 2.557 24 G HA2 0.319 4.270 3.960 -0.014 0.000 0.292 24 G HA3 0.319 4.270 3.960 -0.014 0.000 0.292 24 G C -1.555 173.348 174.900 0.005 0.000 1.237 24 G CA -1.211 43.882 45.100 -0.013 0.000 0.978 24 G HN 0.288 nan 8.290 nan 0.000 0.498 25 P HA -0.120 nan 4.420 nan 0.000 0.216 25 P C 2.113 179.401 177.300 -0.021 0.000 1.153 25 P CA 2.046 65.139 63.100 -0.012 0.000 0.848 25 P CB 0.063 31.753 31.700 -0.017 0.000 0.787 26 R N 0.487 120.972 120.500 -0.024 0.000 2.096 26 R HA -0.044 4.288 4.340 -0.014 0.000 0.235 26 R C 2.453 178.715 176.300 -0.064 0.000 1.127 26 R CA 2.201 58.275 56.100 -0.044 0.000 0.968 26 R CB -2.134 28.147 30.300 -0.032 0.000 0.861 26 R HN 0.237 nan 8.270 nan 0.000 0.440 27 S N 0.001 115.703 115.700 0.004 0.000 2.371 27 S HA -0.071 4.391 4.470 -0.014 0.000 0.224 27 S C 2.172 176.792 174.600 0.033 0.000 1.029 27 S CA 1.120 59.364 58.200 0.073 0.000 0.978 27 S CB -0.164 63.174 63.200 0.231 0.000 0.833 27 S HN 0.650 nan 8.310 nan 0.000 0.466 28 R N 1.004 121.523 120.500 0.031 0.000 2.115 28 R HA 0.012 4.344 4.340 -0.014 0.000 0.230 28 R C 2.282 178.568 176.300 -0.024 0.000 1.111 28 R CA 0.844 56.961 56.100 0.028 0.000 0.976 28 R CB -0.181 30.135 30.300 0.027 0.000 0.870 28 R HN 0.324 nan 8.270 nan 0.000 0.445 29 E N 1.236 121.396 120.200 -0.066 0.000 2.051 29 E HA -0.147 4.195 4.350 -0.014 0.000 0.192 29 E C 2.090 178.591 176.600 -0.165 0.000 0.991 29 E CA 1.100 57.445 56.400 -0.092 0.000 0.799 29 E CB -0.040 29.606 29.700 -0.090 0.000 0.748 29 E HN 0.284 nan 8.360 nan 0.000 0.449 30 L N -0.001 121.026 121.223 -0.326 0.000 2.012 30 L HA -0.227 4.105 4.340 -0.014 0.000 0.210 30 L C 2.787 179.407 176.870 -0.417 0.000 1.073 30 L CA 1.243 55.687 54.840 -0.659 0.000 0.748 30 L CB -0.385 40.714 42.059 -1.600 0.000 0.891 30 L HN 0.183 nan 8.230 nan 0.000 0.431 31 M N -0.836 118.690 119.600 -0.123 0.000 2.149 31 M HA -0.237 4.235 4.480 -0.014 0.000 0.261 31 M C 2.579 178.930 176.300 0.085 0.000 1.064 31 M CA 1.597 57.009 55.300 0.187 0.000 1.102 31 M CB -0.372 32.360 32.600 0.221 0.000 1.369 31 M HN -0.009 nan 8.290 nan 0.000 0.408 32 K N 0.252 120.662 120.400 0.016 0.000 2.032 32 K HA -0.203 4.108 4.320 -0.014 0.000 0.209 32 K C 1.827 178.433 176.600 0.011 0.000 1.048 32 K CA 1.992 58.285 56.287 0.011 0.000 0.927 32 K CB -0.513 31.980 32.500 -0.010 0.000 0.712 32 K HN 0.615 nan 8.250 nan 0.000 0.441 33 Q N -0.574 119.216 119.800 -0.016 0.000 2.016 33 Q HA -0.059 4.273 4.340 -0.014 0.000 0.200 33 Q C 2.192 178.213 176.000 0.035 0.000 0.978 33 Q CA 1.647 57.446 55.803 -0.007 0.000 0.833 33 Q CB -0.335 28.377 28.738 -0.043 0.000 0.895 33 Q HN 0.255 nan 8.270 nan 0.000 0.427 34 L N 1.546 122.816 121.223 0.079 0.000 2.127 34 L HA -0.161 4.171 4.340 -0.014 0.000 0.211 34 L C 1.546 178.469 176.870 0.089 0.000 1.089 34 L CA 1.723 56.638 54.840 0.126 0.000 0.757 34 L CB -0.780 41.431 42.059 0.253 0.000 0.899 34 L HN 0.177 nan 8.230 nan 0.000 0.434 35 N N -1.062 117.685 118.700 0.078 0.000 2.573 35 N HA -0.129 4.603 4.740 -0.014 0.000 0.187 35 N C 1.477 177.012 175.510 0.042 0.000 1.107 35 N CA 0.620 53.705 53.050 0.059 0.000 0.918 35 N CB 0.065 38.585 38.487 0.056 0.000 0.966 35 N HN 0.286 nan 8.380 nan 0.000 0.448 36 I N -0.123 120.470 120.570 0.038 0.000 2.339 36 I HA -0.071 4.091 4.170 -0.014 0.000 0.245 36 I C 1.817 177.951 176.117 0.029 0.000 1.096 36 I CA 0.742 62.059 61.300 0.028 0.000 1.408 36 I CB -0.960 37.054 38.000 0.023 0.000 1.092 36 I HN 0.139 nan 8.210 nan 0.000 0.423 37 I N 0.227 120.818 120.570 0.035 0.000 2.394 37 I HA -0.186 3.975 4.170 -0.014 0.000 0.251 37 I C 1.070 177.206 176.117 0.032 0.000 1.136 37 I CA 0.868 62.188 61.300 0.033 0.000 1.425 37 I CB -0.018 38.007 38.000 0.040 0.000 1.079 37 I HN 0.439 nan 8.210 nan 0.000 0.425 38 Q N -0.712 119.110 119.800 0.036 0.000 2.702 38 Q HA 0.197 4.529 4.340 -0.014 0.000 0.289 38 Q C -0.961 175.060 176.000 0.035 0.000 0.923 38 Q CA -0.917 54.905 55.803 0.032 0.000 0.787 38 Q CB 0.608 29.364 28.738 0.029 0.000 1.476 38 Q HN -0.067 nan 8.270 nan 0.000 0.402 39 N N 0.441 119.159 118.700 0.030 0.000 2.423 39 N HA 0.124 4.856 4.740 -0.014 0.000 0.275 39 N C -0.393 175.138 175.510 0.035 0.000 1.283 39 N CA 0.886 53.956 53.050 0.032 0.000 0.932 39 N CB 1.124 39.629 38.487 0.029 0.000 1.185 39 N HN 0.658 nan 8.380 nan 0.000 0.483 40 A N 3.647 126.495 122.820 0.047 0.000 2.423 40 A HA 0.126 4.438 4.320 -0.014 0.000 0.246 40 A C 1.423 179.042 177.584 0.059 0.000 1.278 40 A CA -0.232 51.838 52.037 0.056 0.000 0.903 40 A CB -0.064 18.991 19.000 0.092 0.000 0.997 40 A HN 0.775 nan 8.150 nan 0.000 0.510 41 E N 0.125 120.357 120.200 0.053 0.000 2.265 41 E HA -0.126 4.216 4.350 -0.014 0.000 0.196 41 E C 1.950 178.593 176.600 0.071 0.000 0.996 41 E CA 0.903 57.340 56.400 0.061 0.000 0.832 41 E CB -0.076 29.655 29.700 0.052 0.000 0.756 41 E HN 0.655 nan 8.360 nan 0.000 0.491 42 A N 1.119 123.968 122.820 0.049 0.000 2.167 42 A HA 0.014 4.326 4.320 -0.014 0.000 0.214 42 A C 1.180 178.789 177.584 0.042 0.000 1.151 42 A CA 0.061 52.127 52.037 0.048 0.000 0.735 42 A CB 0.069 19.066 19.000 -0.005 0.000 0.802 42 A HN 0.011 nan 8.150 nan 0.000 0.467 43 V N 1.945 121.873 119.914 0.024 0.000 2.458 43 V HA -0.041 4.071 4.120 -0.014 0.000 0.287 43 V C 1.435 177.618 176.094 0.149 0.000 1.009 43 V CA 0.199 62.488 62.300 -0.018 0.000 1.091 43 V CB -0.316 31.507 31.823 0.000 0.000 0.960 43 V HN 0.569 nan 8.190 nan 0.000 0.476 44 H N 5.418 124.426 119.070 -0.103 0.000 2.284 44 H HA 0.164 4.711 4.556 -0.014 0.000 0.304 44 H C 0.337 175.774 175.328 0.182 0.000 1.069 44 H CA 1.747 57.788 56.048 -0.012 0.000 1.327 44 H CB -0.017 29.640 29.762 -0.175 0.000 1.387 44 H HN 0.692 nan 8.280 nan 0.000 0.498 45 F N -4.032 116.015 119.950 0.162 0.000 2.807 45 F HA 0.442 4.961 4.527 -0.013 0.000 0.316 45 F C -1.482 174.365 175.800 0.078 0.000 1.162 45 F CA -1.777 56.312 58.000 0.149 0.000 0.910 45 F CB 0.698 39.764 39.000 0.109 0.000 1.314 45 F HN -0.295 nan 8.300 nan 0.000 0.454 46 F N 1.458 121.536 119.950 0.212 0.000 2.404 46 F HA 0.648 5.167 4.527 -0.014 0.000 0.339 46 F C 0.278 176.137 175.800 0.099 0.000 1.105 46 F CA -0.641 57.410 58.000 0.087 0.000 1.087 46 F CB 1.349 40.388 39.000 0.066 0.000 1.143 46 F HN 0.650 nan 8.300 nan 0.000 0.491 47 C N 2.159 121.494 119.300 0.058 0.000 2.407 47 C HA 0.466 4.918 4.460 -0.014 0.000 0.366 47 C C 0.062 174.948 174.990 -0.173 0.000 1.213 47 C CA -0.867 58.033 59.018 -0.197 0.000 2.011 47 C CB 1.598 28.833 27.740 -0.842 0.000 2.306 47 C HN 0.748 nan 8.230 nan 0.000 0.527 48 N N -0.252 118.282 118.700 -0.277 0.000 2.804 48 N HA 0.257 4.989 4.740 -0.014 0.000 0.251 48 N C -0.260 175.140 175.510 -0.183 0.000 1.250 48 N CA -0.310 52.664 53.050 -0.127 0.000 0.820 48 N CB 0.031 38.487 38.487 -0.051 0.000 1.156 48 N HN 0.627 nan 8.380 nan 0.000 0.512 49 Y N 1.020 121.303 120.300 -0.028 0.000 2.421 49 Y HA -0.059 4.483 4.550 -0.013 0.000 0.292 49 Y C 1.703 177.603 175.900 0.001 0.000 1.136 49 Y CA 0.827 58.889 58.100 -0.062 0.000 1.255 49 Y CB 0.299 38.734 38.460 -0.041 0.000 0.991 49 Y HN 0.438 nan 8.280 nan 0.000 0.552 50 E N -0.041 120.242 120.200 0.137 0.000 2.085 50 E HA -0.161 4.181 4.350 -0.014 0.000 0.194 50 E C 2.101 178.760 176.600 0.098 0.000 0.994 50 E CA 1.614 58.077 56.400 0.104 0.000 0.801 50 E CB -0.199 29.546 29.700 0.075 0.000 0.743 50 E HN 0.229 nan 8.360 nan 0.000 0.453 51 E N -0.113 120.136 120.200 0.083 0.000 2.479 51 E HA 0.152 4.494 4.350 -0.014 0.000 0.193 51 E C 0.113 176.829 176.600 0.193 0.000 1.049 51 E CA 0.020 56.494 56.400 0.123 0.000 0.870 51 E CB 0.456 30.207 29.700 0.085 0.000 0.944 51 E HN 0.189 nan 8.360 nan 0.000 0.492 52 S N 1.253 117.027 115.700 0.123 0.000 2.564 52 S HA 0.487 4.949 4.470 -0.014 0.000 0.278 52 S C 0.240 175.028 174.600 0.313 0.000 1.333 52 S CA -0.237 58.068 58.200 0.175 0.000 1.048 52 S CB 0.764 63.882 63.200 -0.137 0.000 0.900 52 S HN 0.267 nan 8.310 nan 0.000 0.505 53 R N 0.302 121.065 120.500 0.438 0.000 2.698 53 R HA 0.599 4.931 4.340 -0.014 0.000 0.275 53 R C 0.923 177.456 176.300 0.389 0.000 1.001 53 R CA -0.358 55.924 56.100 0.303 0.000 0.896 53 R CB 1.376 31.695 30.300 0.033 0.000 1.218 53 R HN 0.833 nan 8.270 nan 0.000 0.462 54 G N 1.998 110.955 108.800 0.261 0.000 2.698 54 G HA2 -0.464 3.488 3.960 -0.014 0.000 0.337 54 G HA3 -0.464 3.488 3.960 -0.014 0.000 0.337 54 G C 0.433 175.468 174.900 0.225 0.000 1.286 54 G CA 1.234 46.460 45.100 0.210 0.000 1.000 54 G HN 0.730 nan 8.290 nan 0.000 0.547 55 N N -0.035 118.770 118.700 0.175 0.000 2.461 55 N HA 0.261 4.993 4.740 -0.014 0.000 0.188 55 N C -0.279 175.177 175.510 -0.089 0.000 1.134 55 N CA 0.316 53.327 53.050 -0.064 0.000 0.878 55 N CB 0.154 38.399 38.487 -0.404 0.000 0.972 55 N HN 0.435 nan 8.380 nan 0.000 0.456 56 Y N 0.507 121.020 120.300 0.356 0.000 2.331 56 Y HA 0.397 4.939 4.550 -0.014 0.000 0.338 56 Y C -0.340 175.708 175.900 0.247 0.000 0.976 56 Y CA -1.207 57.074 58.100 0.300 0.000 1.137 56 Y CB 0.984 39.620 38.460 0.293 0.000 1.172 56 Y HN -0.098 nan 8.280 nan 0.000 0.478 57 L N 4.757 126.109 121.223 0.215 0.000 2.289 57 L HA 0.686 5.018 4.340 -0.014 0.000 0.285 57 L C -1.041 175.803 176.870 -0.044 0.000 1.049 57 L CA -0.554 54.241 54.840 -0.074 0.000 0.804 57 L CB 0.999 43.063 42.059 0.007 0.000 1.195 57 L HN 0.411 nan 8.230 nan 0.000 0.428 58 V N 4.700 124.528 119.914 -0.143 0.000 2.417 58 V HA 0.408 4.520 4.120 -0.014 0.000 0.291 58 V C -0.399 175.628 176.094 -0.112 0.000 1.024 58 V CA -0.783 61.449 62.300 -0.113 0.000 0.861 58 V CB 1.542 33.305 31.823 -0.100 0.000 0.985 58 V HN 0.898 nan 8.190 nan 0.000 0.436 59 D N 3.727 124.085 120.400 -0.071 0.000 2.432 59 D HA 0.195 4.827 4.640 -0.014 0.000 0.258 59 D C 1.113 177.409 176.300 -0.008 0.000 1.146 59 D CA -0.285 53.715 54.000 0.000 0.000 1.015 59 D CB 1.618 42.391 40.800 -0.046 0.000 1.107 59 D HN 0.328 nan 8.370 nan 0.000 0.529 60 V N -2.563 117.382 119.914 0.052 0.000 3.141 60 V HA -0.032 4.080 4.120 -0.014 0.000 0.265 60 V C 0.762 176.858 176.094 0.004 0.000 1.126 60 V CA 1.331 63.654 62.300 0.037 0.000 1.141 60 V CB -0.611 31.259 31.823 0.078 0.000 0.743 60 V HN 0.478 nan 8.190 nan 0.000 0.492 61 D N 0.678 121.071 120.400 -0.012 0.000 2.340 61 D HA 0.278 4.910 4.640 -0.014 0.000 0.217 61 D C 1.752 178.024 176.300 -0.047 0.000 1.081 61 D CA 0.947 54.929 54.000 -0.031 0.000 0.842 61 D CB 0.890 41.666 40.800 -0.039 0.000 0.934 61 D HN 0.709 nan 8.370 nan 0.000 0.511 62 G N 1.452 110.220 108.800 -0.053 0.000 2.175 62 G HA2 -0.237 3.715 3.960 -0.014 0.000 0.244 62 G HA3 -0.237 3.715 3.960 -0.014 0.000 0.244 62 G C 0.297 175.142 174.900 -0.092 0.000 0.982 62 G CA -0.492 44.569 45.100 -0.064 0.000 0.641 62 G HN 0.187 nan 8.290 nan 0.000 0.527 63 N N 0.477 119.113 118.700 -0.107 0.000 2.492 63 N HA 0.324 5.056 4.740 -0.014 0.000 0.262 63 N C 0.304 175.735 175.510 -0.132 0.000 1.202 63 N CA 0.219 53.192 53.050 -0.128 0.000 0.926 63 N CB 0.979 39.362 38.487 -0.173 0.000 1.078 63 N HN 0.598 nan 8.380 nan 0.000 0.454 64 R N 2.750 123.179 120.500 -0.119 0.000 2.337 64 R HA 0.375 4.707 4.340 -0.014 0.000 0.319 64 R C -0.852 175.466 176.300 0.029 0.000 0.954 64 R CA -0.413 55.623 56.100 -0.106 0.000 0.840 64 R CB 0.548 30.689 30.300 -0.265 0.000 1.164 64 R HN 0.487 nan 8.270 nan 0.000 0.472 65 M N 4.185 123.837 119.600 0.086 0.000 2.472 65 M HA 0.302 4.774 4.480 -0.014 0.000 0.331 65 M C -0.779 175.637 176.300 0.193 0.000 1.170 65 M CA -1.265 54.113 55.300 0.130 0.000 1.009 65 M CB 1.964 34.588 32.600 0.041 0.000 1.672 65 M HN 0.445 nan 8.290 nan 0.000 0.453 66 L N 2.680 123.983 121.223 0.132 0.000 2.325 66 L HA 0.234 4.566 4.340 -0.014 0.000 0.284 66 L C -0.655 176.195 176.870 -0.034 0.000 1.089 66 L CA 0.291 55.056 54.840 -0.125 0.000 0.836 66 L CB 0.020 42.105 42.059 0.043 0.000 1.184 66 L HN 0.490 nan 8.230 nan 0.000 0.444 67 D N 5.289 125.653 120.400 -0.060 0.000 2.396 67 D HA 0.202 4.833 4.640 -0.014 0.000 0.225 67 D C 0.143 176.436 176.300 -0.011 0.000 1.121 67 D CA -0.083 53.952 54.000 0.058 0.000 0.853 67 D CB 0.627 41.556 40.800 0.214 0.000 1.043 67 D HN 0.644 nan 8.370 nan 0.000 0.500 68 L N 3.759 124.954 121.223 -0.046 0.000 2.872 68 L HA 0.169 4.501 4.340 -0.014 0.000 0.245 68 L C 0.357 177.169 176.870 -0.097 0.000 1.211 68 L CA -0.311 54.437 54.840 -0.155 0.000 1.013 68 L CB -0.011 41.901 42.059 -0.243 0.000 1.326 68 L HN 0.392 nan 8.230 nan 0.000 0.525 69 Y N 0.980 121.171 120.300 -0.182 0.000 2.526 69 Y HA 0.013 4.555 4.550 -0.014 0.000 0.265 69 Y C 1.655 177.471 175.900 -0.140 0.000 1.092 69 Y CA -0.166 57.826 58.100 -0.180 0.000 1.277 69 Y CB 0.500 38.891 38.460 -0.116 0.000 1.228 69 Y HN 0.342 nan 8.280 nan 0.000 0.507 70 S N 1.694 117.352 115.700 -0.070 0.000 3.559 70 S HA -0.285 4.177 4.470 -0.014 0.000 0.369 70 S C -0.151 174.317 174.600 -0.220 0.000 0.987 70 S CA 0.783 58.895 58.200 -0.148 0.000 1.187 70 S CB -2.314 60.760 63.200 -0.209 0.000 0.914 70 S HN 0.593 nan 8.310 nan 0.000 0.480 71 Q N -0.605 119.073 119.800 -0.204 0.000 2.452 71 Q HA -0.234 4.098 4.340 -0.014 0.000 0.318 71 Q C 0.887 176.610 176.000 -0.461 0.000 1.386 71 Q CA 1.218 56.864 55.803 -0.263 0.000 0.872 71 Q CB -2.647 26.026 28.738 -0.108 0.000 1.151 71 Q HN 1.751 nan 8.270 nan 0.000 0.417 72 I N -2.717 117.301 120.570 -0.920 0.000 6.679 72 I HA -0.329 3.833 4.170 -0.014 0.000 0.126 72 I C 0.517 176.344 176.117 -0.484 0.000 1.811 72 I CA 1.037 61.773 61.300 -0.939 0.000 2.117 72 I CB -2.202 35.447 38.000 -0.585 0.000 3.492 72 I HN 0.556 nan 8.210 nan 0.000 0.193 73 S N 0.088 115.538 115.700 -0.416 0.000 3.808 73 S HA -0.158 4.303 4.470 -0.014 0.000 0.312 73 S C 1.021 175.514 174.600 -0.179 0.000 1.134 73 S CA 1.100 59.151 58.200 -0.250 0.000 0.884 73 S CB -1.078 62.009 63.200 -0.188 0.000 0.918 73 S HN 1.307 nan 8.310 nan 0.000 0.523 74 S N -0.596 114.990 115.700 -0.191 0.000 2.666 74 S HA 0.449 4.910 4.470 -0.014 0.000 0.239 74 S C 0.110 174.628 174.600 -0.137 0.000 1.031 74 S CA -0.437 57.681 58.200 -0.136 0.000 1.015 74 S CB 0.326 63.450 63.200 -0.126 0.000 0.981 74 S HN 0.407 nan 8.310 nan 0.000 0.547 75 I N 4.404 124.867 120.570 -0.179 0.000 2.306 75 I HA 0.389 4.550 4.170 -0.014 0.000 0.288 75 I C -1.578 174.420 176.117 -0.197 0.000 1.036 75 I CA -2.671 58.504 61.300 -0.209 0.000 1.221 75 I CB 1.027 38.814 38.000 -0.354 0.000 1.385 75 I HN 0.036 nan 8.210 nan 0.000 0.472 76 P HA -0.024 nan 4.420 nan 0.000 0.214 76 P C 0.953 178.173 177.300 -0.133 0.000 1.162 76 P CA 1.399 64.408 63.100 -0.151 0.000 0.871 76 P CB 0.610 32.229 31.700 -0.134 0.000 0.783 77 I N -4.917 115.586 120.570 -0.113 0.000 3.424 77 I HA 0.625 4.787 4.170 -0.014 0.000 0.339 77 I C 0.179 176.315 176.117 0.032 0.000 1.549 77 I CA -0.587 60.690 61.300 -0.037 0.000 1.049 77 I CB 0.134 38.092 38.000 -0.069 0.000 1.439 77 I HN 0.053 nan 8.210 nan 0.000 0.500 78 G N 1.467 110.199 108.800 -0.115 0.000 2.795 78 G HA2 -0.256 3.695 3.960 -0.014 0.000 0.664 78 G HA3 -0.256 3.695 3.960 -0.014 0.000 0.664 78 G C -0.829 173.986 174.900 -0.141 0.000 1.381 78 G CA -0.674 44.320 45.100 -0.177 0.000 0.853 78 G HN 0.443 nan 8.290 nan 0.000 0.545 79 Y N 0.433 120.811 120.300 0.131 0.000 2.336 79 Y HA 0.385 4.927 4.550 -0.014 0.000 0.331 79 Y C 1.848 177.834 175.900 0.142 0.000 1.211 79 Y CA 0.919 59.110 58.100 0.152 0.000 1.346 79 Y CB 1.219 39.800 38.460 0.201 0.000 1.271 79 Y HN 1.107 nan 8.280 nan 0.000 0.538 80 S N 0.749 116.632 115.700 0.305 0.000 3.549 80 S HA -0.263 4.198 4.470 -0.014 0.000 0.366 80 S C -0.195 174.499 174.600 0.157 0.000 1.012 80 S CA 0.425 58.743 58.200 0.198 0.000 1.141 80 S CB -1.838 61.466 63.200 0.174 0.000 0.910 80 S HN 0.694 nan 8.310 nan 0.000 0.471 81 H N 1.640 120.755 119.070 0.075 0.000 3.004 81 H HA 0.101 4.649 4.556 -0.014 0.000 0.316 81 H C -1.593 173.757 175.328 0.037 0.000 1.014 81 H CA -1.217 54.858 56.048 0.046 0.000 1.454 81 H CB 0.807 30.583 29.762 0.024 0.000 1.472 81 H HN 0.057 nan 8.280 nan 0.000 0.571 82 P HA -0.140 nan 4.420 nan 0.000 0.217 82 P C 1.058 178.472 177.300 0.189 0.000 1.148 82 P CA 1.910 65.046 63.100 0.061 0.000 0.828 82 P CB 0.161 31.822 31.700 -0.065 0.000 0.783 83 A N -0.780 122.306 122.820 0.443 0.000 1.930 83 A HA -0.117 4.195 4.320 -0.014 0.000 0.217 83 A C 2.134 179.802 177.584 0.140 0.000 1.175 83 A CA 1.204 53.388 52.037 0.244 0.000 0.627 83 A CB -1.440 17.664 19.000 0.174 0.000 0.815 83 A HN 0.123 nan 8.150 nan 0.000 0.443 84 L N -0.591 120.726 121.223 0.158 0.000 2.109 84 L HA -0.104 4.228 4.340 -0.014 0.000 0.207 84 L C 2.459 179.386 176.870 0.094 0.000 1.086 84 L CA 0.705 55.602 54.840 0.095 0.000 0.760 84 L CB -0.674 41.433 42.059 0.080 0.000 0.910 84 L HN 0.215 nan 8.230 nan 0.000 0.437 85 V N 0.864 120.837 119.914 0.099 0.000 2.287 85 V HA -0.344 3.768 4.120 -0.014 0.000 0.248 85 V C 3.186 179.311 176.094 0.052 0.000 1.053 85 V CA 2.616 64.952 62.300 0.060 0.000 1.027 85 V CB -1.106 30.749 31.823 0.054 0.000 0.646 85 V HN 0.556 nan 8.190 nan 0.000 0.447 86 K N -0.083 120.356 120.400 0.065 0.000 2.063 86 K HA -0.157 4.155 4.320 -0.014 0.000 0.208 86 K C 2.043 178.681 176.600 0.064 0.000 1.048 86 K CA 2.029 58.349 56.287 0.055 0.000 0.928 86 K CB -1.036 31.497 32.500 0.055 0.000 0.713 86 K HN 0.507 nan 8.250 nan 0.000 0.442 87 L N 0.430 121.702 121.223 0.081 0.000 1.990 87 L HA -0.211 4.120 4.340 -0.014 0.000 0.213 87 L C 2.592 179.558 176.870 0.160 0.000 1.072 87 L CA 1.553 56.461 54.840 0.114 0.000 0.755 87 L CB -0.703 41.436 42.059 0.134 0.000 0.889 87 L HN 0.241 nan 8.230 nan 0.000 0.432 88 V N -0.711 119.275 119.914 0.119 0.000 2.759 88 V HA -0.255 3.857 4.120 -0.014 0.000 0.256 88 V C 2.295 178.394 176.094 0.008 0.000 1.080 88 V CA 1.423 63.736 62.300 0.021 0.000 1.101 88 V CB -0.490 31.229 31.823 -0.173 0.000 0.698 88 V HN 0.506 nan 8.190 nan 0.000 0.477 89 Q N -0.808 119.009 119.800 0.028 0.000 2.378 89 Q HA -0.029 4.303 4.340 -0.014 0.000 0.205 89 Q C 0.592 176.615 176.000 0.038 0.000 0.954 89 Q CA 0.271 56.086 55.803 0.020 0.000 0.901 89 Q CB 0.083 28.832 28.738 0.018 0.000 0.981 89 Q HN 0.560 nan 8.270 nan 0.000 0.483 90 Q N 0.875 120.713 119.800 0.063 0.000 2.271 90 Q HA 0.012 4.343 4.340 -0.014 0.000 0.273 90 Q C -1.826 174.215 176.000 0.068 0.000 1.051 90 Q CA -1.121 54.719 55.803 0.061 0.000 0.901 90 Q CB 0.497 29.275 28.738 0.068 0.000 1.174 90 Q HN 0.081 nan 8.270 nan 0.000 0.385 91 P HA -0.189 nan 4.420 nan 0.000 0.218 91 P C 0.624 177.956 177.300 0.052 0.000 1.148 91 P CA 1.329 64.457 63.100 0.046 0.000 0.822 91 P CB 0.420 32.139 31.700 0.032 0.000 0.784 92 Q N -1.109 118.718 119.800 0.046 0.000 2.291 92 Q HA -0.071 4.261 4.340 -0.014 0.000 0.205 92 Q C 1.411 177.435 176.000 0.041 0.000 0.970 92 Q CA 1.018 56.843 55.803 0.036 0.000 0.876 92 Q CB -0.831 27.921 28.738 0.025 0.000 0.935 92 Q HN 0.315 nan 8.270 nan 0.000 0.455 93 N N -0.604 118.141 118.700 0.075 0.000 2.353 93 N HA 0.024 4.756 4.740 -0.014 0.000 0.185 93 N C 1.293 176.906 175.510 0.170 0.000 1.098 93 N CA 0.208 53.310 53.050 0.087 0.000 0.872 93 N CB 0.290 38.875 38.487 0.163 0.000 0.970 93 N HN 0.066 nan 8.380 nan 0.000 0.467 94 V N 0.849 120.871 119.914 0.181 0.000 2.282 94 V HA -0.277 3.834 4.120 -0.014 0.000 0.249 94 V C 2.547 178.734 176.094 0.155 0.000 1.057 94 V CA 2.127 64.550 62.300 0.204 0.000 1.032 94 V CB -0.792 31.095 31.823 0.107 0.000 0.645 94 V HN 0.370 nan 8.190 nan 0.000 0.447 95 S N -0.427 115.314 115.700 0.069 0.000 2.365 95 S HA -0.280 4.182 4.470 -0.014 0.000 0.225 95 S C 2.072 176.665 174.600 -0.012 0.000 1.039 95 S CA 2.548 60.765 58.200 0.028 0.000 1.033 95 S CB -0.577 62.628 63.200 0.009 0.000 0.887 95 S HN 0.719 nan 8.310 nan 0.000 0.447 96 T N 1.059 115.563 114.554 -0.084 0.000 2.699 96 T HA -0.104 4.238 4.350 -0.014 0.000 0.268 96 T C 1.303 175.847 174.700 -0.261 0.000 1.036 96 T CA 1.829 63.795 62.100 -0.223 0.000 1.147 96 T CB -0.606 68.024 68.868 -0.396 0.000 0.862 96 T HN 0.540 nan 8.240 nan 0.000 0.446 97 F N 0.739 120.671 119.950 -0.029 0.000 2.558 97 F HA 0.234 4.753 4.527 -0.014 0.000 0.298 97 F C 1.866 177.636 175.800 -0.050 0.000 1.119 97 F CA 0.302 58.277 58.000 -0.042 0.000 1.451 97 F CB -0.177 38.805 39.000 -0.031 0.000 1.091 97 F HN 0.236 nan 8.300 nan 0.000 0.563 98 I N -4.464 116.171 120.570 0.108 0.000 4.338 98 I HA 0.342 4.504 4.170 -0.014 0.000 0.329 98 I C -0.431 175.696 176.117 0.017 0.000 1.378 98 I CA -0.073 61.260 61.300 0.055 0.000 1.170 98 I CB 0.226 38.263 38.000 0.061 0.000 1.206 98 I HN -0.213 nan 8.210 nan 0.000 0.432 99 N N 3.138 121.836 118.700 -0.004 0.000 2.841 99 N HA 0.293 5.025 4.740 -0.014 0.000 0.257 99 N C -0.976 174.515 175.510 -0.030 0.000 1.396 99 N CA -0.254 52.793 53.050 -0.006 0.000 0.823 99 N CB 1.313 39.800 38.487 -0.001 0.000 1.162 99 N HN 0.290 nan 8.380 nan 0.000 0.503 100 R N 1.819 122.292 120.500 -0.046 0.000 2.248 100 R HA 0.332 4.664 4.340 -0.014 0.000 0.328 100 R C -2.206 174.106 176.300 0.020 0.000 1.067 100 R CA -0.849 55.195 56.100 -0.094 0.000 0.924 100 R CB 0.416 30.546 30.300 -0.284 0.000 1.013 100 R HN 0.138 nan 8.270 nan 0.000 0.454 101 P HA 0.187 nan 4.420 nan 0.000 0.281 101 P C -1.290 176.102 177.300 0.154 0.000 1.249 101 P CA -0.609 62.521 63.100 0.051 0.000 0.810 101 P CB 1.483 33.157 31.700 -0.043 0.000 1.008 102 A N 2.474 125.363 122.820 0.115 0.000 2.990 102 A HA 0.144 4.456 4.320 -0.014 0.000 0.282 102 A C 1.443 178.993 177.584 -0.056 0.000 1.688 102 A CA -0.305 51.768 52.037 0.060 0.000 1.391 102 A CB -1.502 17.523 19.000 0.042 0.000 1.112 102 A HN 0.626 nan 8.150 nan 0.000 0.588 103 L N 1.447 122.597 121.223 -0.121 0.000 2.151 103 L HA -0.270 4.062 4.340 -0.014 0.000 0.215 103 L C 2.673 179.365 176.870 -0.297 0.000 1.084 103 L CA 1.565 56.224 54.840 -0.302 0.000 0.764 103 L CB -0.288 41.559 42.059 -0.353 0.000 0.891 103 L HN 0.710 nan 8.230 nan 0.000 0.435 104 G N 0.226 108.866 108.800 -0.266 0.000 2.448 104 G HA2 -0.191 3.761 3.960 -0.014 0.000 0.219 104 G HA3 -0.191 3.761 3.960 -0.014 0.000 0.219 104 G C 1.430 176.369 174.900 0.066 0.000 1.127 104 G CA 1.126 46.120 45.100 -0.176 0.000 0.766 104 G HN 0.647 nan 8.290 nan 0.000 0.552 105 I N -4.363 116.243 120.570 0.060 0.000 4.607 105 I HA 0.448 4.610 4.170 -0.014 0.000 0.324 105 I C 0.518 176.646 176.117 0.019 0.000 1.279 105 I CA 0.076 61.431 61.300 0.090 0.000 1.286 105 I CB 0.557 38.664 38.000 0.179 0.000 1.265 105 I HN -0.125 nan 8.210 nan 0.000 0.446 106 L N 4.289 125.496 121.223 -0.026 0.000 2.783 106 L HA 0.518 4.850 4.340 -0.014 0.000 0.265 106 L C -2.492 174.317 176.870 -0.102 0.000 1.398 106 L CA -1.503 53.314 54.840 -0.038 0.000 0.802 106 L CB 0.568 42.625 42.059 -0.004 0.000 1.126 106 L HN -0.023 nan 8.230 nan 0.000 0.529 107 P HA 0.142 nan 4.420 nan 0.000 0.268 107 P C -2.385 174.835 177.300 -0.132 0.000 1.208 107 P CA -0.702 62.215 63.100 -0.305 0.000 0.777 107 P CB -0.267 31.209 31.700 -0.373 0.000 0.875 108 P HA 0.117 nan 4.420 nan 0.000 0.276 108 P C 0.834 178.171 177.300 0.062 0.000 1.244 108 P CA -0.231 62.870 63.100 0.002 0.000 0.801 108 P CB 1.106 32.819 31.700 0.022 0.000 1.006 109 E N 1.961 122.188 120.200 0.044 0.000 2.130 109 E HA -0.250 4.091 4.350 -0.014 0.000 0.196 109 E C 1.371 178.011 176.600 0.066 0.000 0.998 109 E CA 1.837 58.266 56.400 0.049 0.000 0.806 109 E CB -0.343 29.373 29.700 0.027 0.000 0.738 109 E HN 0.637 nan 8.360 nan 0.000 0.459 110 N N -0.897 117.842 118.700 0.066 0.000 2.449 110 N HA -0.093 4.638 4.740 -0.014 0.000 0.191 110 N C 1.504 177.056 175.510 0.070 0.000 1.161 110 N CA -0.113 52.965 53.050 0.046 0.000 0.863 110 N CB -0.161 38.335 38.487 0.015 0.000 0.980 110 N HN 0.088 nan 8.380 nan 0.000 0.458 111 F N 1.420 121.347 119.950 -0.037 0.000 2.134 111 F HA -0.107 4.412 4.527 -0.012 0.000 0.299 111 F C 1.785 177.560 175.800 -0.042 0.000 1.097 111 F CA 1.105 59.080 58.000 -0.043 0.000 1.264 111 F CB -0.095 38.882 39.000 -0.038 0.000 1.001 111 F HN -0.067 nan 8.300 nan 0.000 0.479 112 V N -0.039 119.826 119.914 -0.081 0.000 2.446 112 V HA -0.103 4.009 4.120 -0.014 0.000 0.244 112 V C 2.661 178.661 176.094 -0.157 0.000 1.039 112 V CA 1.814 64.010 62.300 -0.172 0.000 1.045 112 V CB -1.643 30.153 31.823 -0.045 0.000 0.681 112 V HN 0.407 nan 8.190 nan 0.000 0.459 113 E N 1.159 121.305 120.200 -0.091 0.000 2.058 113 E HA -0.357 3.985 4.350 -0.014 0.000 0.194 113 E C 2.110 178.644 176.600 -0.110 0.000 0.997 113 E CA 2.081 58.433 56.400 -0.080 0.000 0.801 113 E CB -0.604 29.068 29.700 -0.047 0.000 0.746 113 E HN 0.558 nan 8.360 nan 0.000 0.450 114 K N -0.001 120.322 120.400 -0.129 0.000 2.148 114 K HA 0.096 4.408 4.320 -0.014 0.000 0.204 114 K C 2.094 178.583 176.600 -0.186 0.000 1.050 114 K CA 0.982 57.187 56.287 -0.137 0.000 0.942 114 K CB -0.438 31.991 32.500 -0.119 0.000 0.724 114 K HN 0.431 nan 8.250 nan 0.000 0.446 115 L N 0.014 121.068 121.223 -0.282 0.000 2.046 115 L HA -0.155 4.177 4.340 -0.014 0.000 0.208 115 L C 2.425 179.188 176.870 -0.179 0.000 1.077 115 L CA 1.354 56.020 54.840 -0.290 0.000 0.747 115 L CB -0.299 41.503 42.059 -0.428 0.000 0.896 115 L HN 0.202 nan 8.230 nan 0.000 0.432 116 R N -0.004 120.406 120.500 -0.151 0.000 2.096 116 R HA -0.164 4.168 4.340 -0.014 0.000 0.235 116 R C 2.033 178.275 176.300 -0.097 0.000 1.127 116 R CA 1.273 57.310 56.100 -0.104 0.000 0.968 116 R CB -0.183 30.066 30.300 -0.086 0.000 0.861 116 R HN 0.483 nan 8.270 nan 0.000 0.440 117 E N 0.075 120.214 120.200 -0.101 0.000 2.274 117 E HA -0.099 4.243 4.350 -0.014 0.000 0.194 117 E C 1.423 177.961 176.600 -0.103 0.000 0.996 117 E CA 1.234 57.579 56.400 -0.092 0.000 0.840 117 E CB 0.231 29.882 29.700 -0.082 0.000 0.772 117 E HN 0.328 nan 8.360 nan 0.000 0.491 118 S N 0.002 115.635 115.700 -0.112 0.000 3.769 118 S HA 0.117 4.579 4.470 -0.014 0.000 0.183 118 S C 1.680 176.214 174.600 -0.109 0.000 0.903 118 S CA -0.542 57.590 58.200 -0.113 0.000 1.413 118 S CB -0.540 62.598 63.200 -0.104 0.000 0.753 118 S HN 0.044 nan 8.310 nan 0.000 0.773 119 L N 1.259 122.431 121.223 -0.085 0.000 2.064 119 L HA -0.162 4.169 4.340 -0.014 0.000 0.216 119 L C 2.660 179.620 176.870 0.149 0.000 1.077 119 L CA 1.533 56.382 54.840 0.014 0.000 0.766 119 L CB -0.948 41.061 42.059 -0.083 0.000 0.890 119 L HN 0.448 nan 8.230 nan 0.000 0.435 120 L N -0.489 120.761 121.223 0.046 0.000 2.191 120 L HA -0.163 4.168 4.340 -0.014 0.000 0.212 120 L C 2.728 179.592 176.870 -0.009 0.000 1.103 120 L CA 1.297 56.180 54.840 0.072 0.000 0.769 120 L CB -0.555 41.497 42.059 -0.012 0.000 0.908 120 L HN 0.412 nan 8.230 nan 0.000 0.438 121 S N -0.408 115.247 115.700 -0.075 0.000 2.515 121 S HA -0.049 4.412 4.470 -0.014 0.000 0.231 121 S C 1.256 175.729 174.600 -0.212 0.000 0.987 121 S CA 0.667 58.787 58.200 -0.134 0.000 0.936 121 S CB -0.192 62.917 63.200 -0.150 0.000 0.766 121 S HN 0.312 nan 8.310 nan 0.000 0.528 122 V N -1.890 117.880 119.914 -0.240 0.000 2.988 122 V HA 0.756 4.868 4.120 -0.014 0.000 0.356 122 V C 0.516 176.510 176.094 -0.166 0.000 1.380 122 V CA -0.757 61.325 62.300 -0.364 0.000 1.184 122 V CB -0.855 30.383 31.823 -0.974 0.000 1.204 122 V HN 0.508 nan 8.190 nan 0.000 0.530 123 A N 1.966 124.640 122.820 -0.243 0.000 2.540 123 A HA 0.574 4.885 4.320 -0.014 0.000 0.239 123 A C -1.851 175.456 177.584 -0.462 0.000 1.061 123 A CA -0.470 51.203 52.037 -0.608 0.000 0.758 123 A CB -0.445 18.406 19.000 -0.248 0.000 0.991 123 A HN 0.514 nan 8.150 nan 0.000 0.502 124 P HA 0.138 nan 4.420 nan 0.000 0.271 124 P C -0.464 176.726 177.300 -0.184 0.000 1.233 124 P CA -0.252 62.655 63.100 -0.323 0.000 0.789 124 P CB 0.416 31.826 31.700 -0.484 0.000 0.951 125 K N 1.097 121.463 120.400 -0.057 0.000 2.412 125 K HA 0.294 4.606 4.320 -0.014 0.000 0.281 125 K C 1.197 177.770 176.600 -0.045 0.000 1.027 125 K CA 0.871 57.136 56.287 -0.035 0.000 0.989 125 K CB -0.314 32.194 32.500 0.013 0.000 0.935 125 K HN 0.836 nan 8.250 nan 0.000 0.475 126 G N 2.694 111.475 108.800 -0.032 0.000 2.195 126 G HA2 -0.266 3.686 3.960 -0.014 0.000 0.246 126 G HA3 -0.266 3.686 3.960 -0.014 0.000 0.246 126 G C 0.104 174.995 174.900 -0.014 0.000 0.984 126 G CA -0.171 44.922 45.100 -0.012 0.000 0.633 126 G HN 0.546 nan 8.290 nan 0.000 0.525 127 M N 2.342 121.915 119.600 -0.045 0.000 2.103 127 M HA 0.408 4.879 4.480 -0.014 0.000 0.350 127 M C 1.510 177.811 176.300 0.002 0.000 1.100 127 M CA 0.281 55.568 55.300 -0.021 0.000 1.042 127 M CB 1.370 33.958 32.600 -0.020 0.000 1.368 127 M HN 0.336 nan 8.290 nan 0.000 0.404 128 S N 1.091 116.783 115.700 -0.015 0.000 2.461 128 S HA 0.036 4.498 4.470 -0.014 0.000 0.228 128 S C 0.720 175.284 174.600 -0.061 0.000 1.005 128 S CA 0.324 58.513 58.200 -0.018 0.000 0.942 128 S CB 0.186 63.377 63.200 -0.015 0.000 0.776 128 S HN 0.656 nan 8.310 nan 0.000 0.514 129 Q N 0.927 120.617 119.800 -0.183 0.000 2.230 129 Q HA 0.679 5.011 4.340 -0.014 0.000 0.248 129 Q C -1.072 174.658 176.000 -0.449 0.000 0.915 129 Q CA -0.515 55.037 55.803 -0.419 0.000 0.900 129 Q CB 1.729 29.933 28.738 -0.890 0.000 1.229 129 Q HN 0.435 nan 8.270 nan 0.000 0.439 130 L N 2.490 123.483 121.223 -0.383 0.000 2.505 130 L HA 0.561 4.893 4.340 -0.014 0.000 0.266 130 L C -1.745 174.923 176.870 -0.338 0.000 0.954 130 L CA -0.148 54.443 54.840 -0.416 0.000 0.852 130 L CB 1.679 43.491 42.059 -0.412 0.000 1.282 130 L HN 0.622 nan 8.230 nan 0.000 0.403 131 I N 3.066 123.346 120.570 -0.483 0.000 2.608 131 I HA 0.587 4.748 4.170 -0.014 0.000 0.295 131 I C -0.165 175.700 176.117 -0.421 0.000 1.049 131 I CA -0.544 60.496 61.300 -0.433 0.000 1.063 131 I CB 2.605 40.255 38.000 -0.583 0.000 1.248 131 I HN 0.735 nan 8.210 nan 0.000 0.424 132 T N 3.552 117.987 114.554 -0.199 0.000 2.929 132 T HA 0.753 5.094 4.350 -0.014 0.000 0.284 132 T C -0.384 174.255 174.700 -0.102 0.000 1.014 132 T CA -0.805 61.225 62.100 -0.116 0.000 1.051 132 T CB 1.791 70.675 68.868 0.026 0.000 1.028 132 T HN 0.314 nan 8.240 nan 0.000 0.485 133 M N 0.722 120.271 119.600 -0.085 0.000 2.618 133 M HA 0.558 5.030 4.480 -0.014 0.000 0.281 133 M C 0.997 177.292 176.300 -0.009 0.000 1.267 133 M CA -1.036 54.237 55.300 -0.046 0.000 0.845 133 M CB 1.640 34.206 32.600 -0.058 0.000 1.732 133 M HN 0.840 nan 8.290 nan 0.000 0.461 134 A N 0.504 123.336 122.820 0.020 0.000 2.016 134 A HA 0.164 4.475 4.320 -0.014 0.000 0.217 134 A C 0.884 178.481 177.584 0.022 0.000 1.162 134 A CA 1.331 53.391 52.037 0.038 0.000 0.662 134 A CB -0.186 18.862 19.000 0.081 0.000 0.812 134 A HN 0.956 nan 8.150 nan 0.000 0.450 135 C N -5.653 113.648 119.300 0.003 0.000 3.335 135 C HA 0.775 5.227 4.460 -0.014 0.000 0.356 135 C C 1.714 176.686 174.990 -0.031 0.000 1.570 135 C CA 0.052 59.069 59.018 -0.002 0.000 1.271 135 C CB 0.998 28.742 27.740 0.007 0.000 1.873 135 C HN 0.428 nan 8.230 nan 0.000 0.439 136 G N 0.786 109.577 108.800 -0.015 0.000 2.408 136 G HA2 0.072 4.023 3.960 -0.014 0.000 0.215 136 G HA3 0.072 4.023 3.960 -0.014 0.000 0.215 136 G C 1.432 176.298 174.900 -0.057 0.000 1.156 136 G CA 1.304 46.390 45.100 -0.024 0.000 0.793 136 G HN 0.826 nan 8.290 nan 0.000 0.535 137 S N 0.239 115.915 115.700 -0.040 0.000 2.357 137 S HA -0.175 4.287 4.470 -0.014 0.000 0.221 137 S C 2.625 177.162 174.600 -0.106 0.000 1.031 137 S CA 1.450 59.608 58.200 -0.070 0.000 0.982 137 S CB -0.576 62.604 63.200 -0.034 0.000 0.853 137 S HN 0.756 nan 8.310 nan 0.000 0.458 138 C N 1.336 120.597 119.300 -0.065 0.000 2.419 138 C HA 0.043 4.494 4.460 -0.014 0.000 0.281 138 C C 2.715 177.649 174.990 -0.093 0.000 1.336 138 C CA 0.233 59.215 59.018 -0.060 0.000 1.770 138 C CB -1.633 26.099 27.740 -0.013 0.000 1.929 138 C HN 0.383 nan 8.230 nan 0.000 0.509 139 S N 2.197 117.830 115.700 -0.113 0.000 2.343 139 S HA -0.161 4.301 4.470 -0.014 0.000 0.219 139 S C 1.850 176.260 174.600 -0.316 0.000 1.033 139 S CA 1.912 60.042 58.200 -0.118 0.000 1.014 139 S CB -0.471 62.621 63.200 -0.180 0.000 0.915 139 S HN 0.682 nan 8.310 nan 0.000 0.435 140 N N 1.146 119.604 118.700 -0.403 0.000 2.120 140 N HA -0.072 4.660 4.740 -0.014 0.000 0.188 140 N C 1.702 176.568 175.510 -1.074 0.000 1.024 140 N CA 0.859 53.474 53.050 -0.725 0.000 0.852 140 N CB -0.422 37.683 38.487 -0.636 0.000 1.003 140 N HN 0.411 nan 8.380 nan 0.000 0.424 141 E N 0.986 120.793 120.200 -0.655 0.000 2.058 141 E HA -0.107 4.234 4.350 -0.014 0.000 0.194 141 E C 1.417 177.862 176.600 -0.259 0.000 0.997 141 E CA 0.781 56.940 56.400 -0.401 0.000 0.801 141 E CB -0.351 29.279 29.700 -0.118 0.000 0.746 141 E HN 0.438 nan 8.360 nan 0.000 0.450 142 N N 0.390 118.950 118.700 -0.233 0.000 2.331 142 N HA -0.057 4.674 4.740 -0.014 0.000 0.180 142 N C 1.717 176.969 175.510 -0.429 0.000 1.019 142 N CA 0.842 53.816 53.050 -0.126 0.000 0.881 142 N CB 0.077 38.634 38.487 0.118 0.000 0.972 142 N HN 0.083 nan 8.380 nan 0.000 0.435 143 A N 0.886 123.179 122.820 -0.878 0.000 1.897 143 A HA -0.010 4.301 4.320 -0.014 0.000 0.215 143 A C 1.980 179.281 177.584 -0.471 0.000 1.181 143 A CA 0.673 52.045 52.037 -1.109 0.000 0.620 143 A CB -0.856 17.474 19.000 -1.116 0.000 0.821 143 A HN 0.222 nan 8.150 nan 0.000 0.443 144 F N 0.291 119.970 119.950 -0.452 0.000 2.095 144 F HA -0.240 4.278 4.527 -0.014 0.000 0.298 144 F C 2.562 178.118 175.800 -0.408 0.000 1.104 144 F CA 1.350 59.065 58.000 -0.475 0.000 1.232 144 F CB -0.148 38.717 39.000 -0.224 0.000 0.987 144 F HN 0.181 nan 8.300 nan 0.000 0.475 145 K N 0.018 120.482 120.400 0.106 0.000 2.026 145 K HA -0.129 4.183 4.320 -0.014 0.000 0.208 145 K C 1.918 178.620 176.600 0.170 0.000 1.048 145 K CA 1.889 58.319 56.287 0.238 0.000 0.929 145 K CB -0.639 31.983 32.500 0.203 0.000 0.713 145 K HN 0.173 nan 8.250 nan 0.000 0.439 146 T N 2.075 116.658 114.554 0.048 0.000 2.699 146 T HA -0.164 4.178 4.350 -0.014 0.000 0.268 146 T C 1.974 176.804 174.700 0.217 0.000 1.036 146 T CA 1.359 63.518 62.100 0.099 0.000 1.147 146 T CB -0.238 68.595 68.868 -0.058 0.000 0.862 146 T HN 0.141 nan 8.240 nan 0.000 0.446 147 I N -0.021 120.583 120.570 0.057 0.000 2.142 147 I HA -0.128 4.033 4.170 -0.014 0.000 0.240 147 I C 2.055 178.373 176.117 0.335 0.000 1.078 147 I CA 1.519 62.923 61.300 0.173 0.000 1.343 147 I CB -0.436 37.450 38.000 -0.189 0.000 1.046 147 I HN 0.213 nan 8.210 nan 0.000 0.405 148 F N 0.327 120.442 119.950 0.274 0.000 2.120 148 F HA -0.315 4.204 4.527 -0.014 0.000 0.300 148 F C 2.619 178.621 175.800 0.337 0.000 1.095 148 F CA 1.282 59.454 58.000 0.286 0.000 1.249 148 F CB -0.490 38.609 39.000 0.164 0.000 0.995 148 F HN 0.009 nan 8.300 nan 0.000 0.480 149 M N -1.292 118.587 119.600 0.465 0.000 2.117 149 M HA -0.240 4.232 4.480 -0.014 0.000 0.262 149 M C 2.107 178.612 176.300 0.341 0.000 1.065 149 M CA 1.955 57.471 55.300 0.359 0.000 1.114 149 M CB -0.738 32.042 32.600 0.301 0.000 1.361 149 M HN 0.437 nan 8.290 nan 0.000 0.408 150 W N 0.124 121.516 121.300 0.153 0.000 2.381 150 W HA -0.242 4.409 4.660 -0.015 0.000 0.301 150 W C 2.116 178.641 176.519 0.009 0.000 1.205 150 W CA 1.346 58.680 57.345 -0.018 0.000 1.285 150 W CB -0.562 28.750 29.460 -0.246 0.000 1.133 150 W HN 0.170 nan 8.180 nan 0.000 0.521 151 Y N 1.122 121.435 120.300 0.021 0.000 2.200 151 Y HA -0.154 4.387 4.550 -0.014 0.000 0.290 151 Y C 2.591 178.432 175.900 -0.098 0.000 1.137 151 Y CA 2.008 59.952 58.100 -0.260 0.000 1.163 151 Y CB -0.387 38.084 38.460 0.019 0.000 0.988 151 Y HN -0.275 nan 8.280 nan 0.000 0.518 152 R N -0.490 120.203 120.500 0.322 0.000 2.148 152 R HA -0.126 4.206 4.340 -0.014 0.000 0.227 152 R C 2.542 178.856 176.300 0.024 0.000 1.103 152 R CA 1.118 57.361 56.100 0.238 0.000 0.983 152 R CB -1.072 29.381 30.300 0.254 0.000 0.874 152 R HN 0.254 nan 8.270 nan 0.000 0.451 153 S N 0.549 116.219 115.700 -0.051 0.000 2.402 153 S HA -0.063 4.399 4.470 -0.014 0.000 0.229 153 S C 1.671 176.114 174.600 -0.262 0.000 1.021 153 S CA 1.033 59.158 58.200 -0.125 0.000 0.974 153 S CB 0.137 63.278 63.200 -0.099 0.000 0.800 153 S HN 0.253 nan 8.310 nan 0.000 0.484 154 K N 0.615 120.731 120.400 -0.473 0.000 2.002 154 K HA -0.107 4.205 4.320 -0.014 0.000 0.209 154 K C 2.150 178.551 176.600 -0.333 0.000 1.048 154 K CA 1.725 57.696 56.287 -0.527 0.000 0.930 154 K CB -0.198 31.780 32.500 -0.871 0.000 0.714 154 K HN 0.515 nan 8.250 nan 0.000 0.438 155 E N 0.145 120.179 120.200 -0.276 0.000 2.072 155 E HA -0.157 4.185 4.350 -0.014 0.000 0.190 155 E C 2.166 178.719 176.600 -0.078 0.000 0.982 155 E CA 0.638 56.954 56.400 -0.141 0.000 0.803 155 E CB -0.017 29.662 29.700 -0.035 0.000 0.755 155 E HN 0.192 nan 8.360 nan 0.000 0.453 156 R N 0.834 121.298 120.500 -0.061 0.000 2.115 156 R HA -0.042 4.290 4.340 -0.014 0.000 0.226 156 R C 0.846 177.103 176.300 -0.071 0.000 1.100 156 R CA 1.028 57.104 56.100 -0.040 0.000 0.980 156 R CB -0.117 30.175 30.300 -0.012 0.000 0.875 156 R HN 0.190 nan 8.270 nan 0.000 0.445 157 G N -1.444 107.294 108.800 -0.102 0.000 2.693 157 G HA2 -0.363 3.589 3.960 -0.014 0.000 0.226 157 G HA3 -0.363 3.589 3.960 -0.014 0.000 0.226 157 G C -0.389 174.450 174.900 -0.102 0.000 1.354 157 G CA 0.071 45.109 45.100 -0.104 0.000 0.873 157 G HN 0.590 nan 8.290 nan 0.000 0.562 158 Q N -0.815 118.931 119.800 -0.090 0.000 3.027 158 Q HA 0.681 5.013 4.340 -0.014 0.000 0.260 158 Q C 0.783 176.727 176.000 -0.093 0.000 1.379 158 Q CA 1.300 57.050 55.803 -0.090 0.000 1.038 158 Q CB -0.234 28.463 28.738 -0.069 0.000 1.578 158 Q HN 2.405 nan 8.270 nan 0.000 0.571 159 S N -1.136 114.495 115.700 -0.116 0.000 2.732 159 S HA 0.928 5.389 4.470 -0.014 0.000 0.293 159 S C 0.020 174.514 174.600 -0.176 0.000 1.159 159 S CA -0.159 57.974 58.200 -0.111 0.000 0.847 159 S CB 1.455 64.609 63.200 -0.077 0.000 1.169 159 S HN 1.381 nan 8.310 nan 0.000 0.501 160 A N 0.300 123.034 122.820 -0.143 0.000 2.272 160 A HA 0.675 4.986 4.320 -0.014 0.000 0.275 160 A C -0.344 177.154 177.584 -0.144 0.000 1.096 160 A CA -0.720 51.206 52.037 -0.184 0.000 0.822 160 A CB -0.362 18.595 19.000 -0.072 0.000 1.088 160 A HN 0.689 nan 8.150 nan 0.000 0.495 161 F N 0.894 120.845 119.950 0.002 0.000 2.471 161 F HA 0.306 4.824 4.527 -0.015 0.000 0.353 161 F C 1.504 177.303 175.800 -0.002 0.000 1.113 161 F CA 0.357 58.358 58.000 0.002 0.000 1.262 161 F CB 1.053 40.056 39.000 0.005 0.000 1.146 161 F HN 0.637 nan 8.300 nan 0.000 0.578 162 S N 1.997 117.823 115.700 0.209 0.000 2.610 162 S HA 0.413 4.874 4.470 -0.014 0.000 0.273 162 S C 0.878 175.526 174.600 0.080 0.000 1.274 162 S CA -0.383 57.880 58.200 0.104 0.000 1.023 162 S CB 1.725 64.966 63.200 0.067 0.000 0.962 162 S HN 0.770 nan 8.310 nan 0.000 0.523 163 K N 1.243 121.673 120.400 0.050 0.000 2.097 163 K HA -0.066 4.245 4.320 -0.014 0.000 0.206 163 K C 1.953 178.559 176.600 0.011 0.000 1.049 163 K CA 1.858 58.162 56.287 0.028 0.000 0.933 163 K CB -1.438 31.074 32.500 0.019 0.000 0.717 163 K HN 0.884 nan 8.250 nan 0.000 0.442 164 E N 0.149 120.356 120.200 0.011 0.000 2.031 164 E HA -0.222 4.120 4.350 -0.014 0.000 0.193 164 E C 2.138 178.732 176.600 -0.011 0.000 0.994 164 E CA 1.450 57.850 56.400 -0.000 0.000 0.800 164 E CB -0.030 29.671 29.700 0.002 0.000 0.752 164 E HN 0.741 nan 8.360 nan 0.000 0.447 165 E N 0.382 120.580 120.200 -0.004 0.000 2.058 165 E HA -0.205 4.137 4.350 -0.014 0.000 0.194 165 E C 2.274 178.837 176.600 -0.062 0.000 0.997 165 E CA 1.157 57.543 56.400 -0.024 0.000 0.801 165 E CB -0.106 29.600 29.700 0.009 0.000 0.746 165 E HN 0.301 nan 8.360 nan 0.000 0.450 166 L N 0.558 121.748 121.223 -0.055 0.000 2.187 166 L HA -0.221 4.111 4.340 -0.014 0.000 0.213 166 L C 2.196 179.024 176.870 -0.070 0.000 1.100 166 L CA 1.167 55.953 54.840 -0.089 0.000 0.765 166 L CB -0.187 41.844 42.059 -0.047 0.000 0.904 166 L HN 0.165 nan 8.230 nan 0.000 0.437 167 E N -0.821 119.352 120.200 -0.045 0.000 2.075 167 E HA -0.129 4.213 4.350 -0.014 0.000 0.190 167 E C 2.155 178.731 176.600 -0.040 0.000 0.969 167 E CA 1.453 57.830 56.400 -0.037 0.000 0.815 167 E CB 0.066 29.751 29.700 -0.024 0.000 0.776 167 E HN 0.492 nan 8.360 nan 0.000 0.457 168 T N -0.222 114.308 114.554 -0.040 0.000 2.788 168 T HA -0.216 4.126 4.350 -0.014 0.000 0.268 168 T C 2.420 177.091 174.700 -0.049 0.000 1.044 168 T CA 1.217 63.293 62.100 -0.040 0.000 1.139 168 T CB -1.156 67.689 68.868 -0.038 0.000 0.867 168 T HN 0.447 nan 8.240 nan 0.000 0.454 169 C N 1.659 120.920 119.300 -0.065 0.000 2.411 169 C HA 0.096 4.548 4.460 -0.014 0.000 0.279 169 C C 2.641 177.596 174.990 -0.058 0.000 1.288 169 C CA 0.229 59.204 59.018 -0.073 0.000 1.764 169 C CB -1.557 26.119 27.740 -0.107 0.000 1.974 169 C HN 0.360 nan 8.230 nan 0.000 0.498 170 M N 1.879 121.446 119.600 -0.055 0.000 2.374 170 M HA 0.150 4.622 4.480 -0.014 0.000 0.264 170 M C 1.561 177.841 176.300 -0.033 0.000 1.067 170 M CA 1.317 56.591 55.300 -0.044 0.000 1.103 170 M CB -0.774 31.799 32.600 -0.044 0.000 1.402 170 M HN 0.769 nan 8.290 nan 0.000 0.444 171 I N -2.713 117.838 120.570 -0.031 0.000 3.283 171 I HA 0.320 4.481 4.170 -0.014 0.000 0.342 171 I C -0.679 175.425 176.117 -0.022 0.000 1.510 171 I CA -0.483 60.803 61.300 -0.024 0.000 1.006 171 I CB -0.316 37.671 38.000 -0.023 0.000 1.596 171 I HN 0.020 nan 8.210 nan 0.000 0.509 172 N N 1.764 120.451 118.700 -0.021 0.000 2.727 172 N HA -0.223 4.509 4.740 -0.014 0.000 0.249 172 N C -0.572 174.926 175.510 -0.019 0.000 1.048 172 N CA 1.058 54.099 53.050 -0.014 0.000 0.714 172 N CB -1.196 37.288 38.487 -0.005 0.000 0.959 172 N HN 0.774 nan 8.380 nan 0.000 0.544 173 Q N -1.038 118.743 119.800 -0.030 0.000 2.423 173 Q HA 0.775 5.107 4.340 -0.014 0.000 0.278 173 Q C -0.466 175.505 176.000 -0.048 0.000 1.097 173 Q CA -0.797 54.986 55.803 -0.032 0.000 0.809 173 Q CB 2.034 30.756 28.738 -0.027 0.000 1.391 173 Q HN 0.313 nan 8.270 nan 0.000 0.428 174 A N 1.937 124.727 122.820 -0.049 0.000 2.386 174 A HA 0.316 4.628 4.320 -0.014 0.000 0.248 174 A C -1.742 175.815 177.584 -0.044 0.000 1.082 174 A CA -0.888 51.112 52.037 -0.063 0.000 0.789 174 A CB -0.115 18.849 19.000 -0.060 0.000 1.025 174 A HN 0.564 nan 8.150 nan 0.000 0.490 175 P HA 0.027 nan 4.420 nan 0.000 0.240 175 P C 1.442 178.695 177.300 -0.079 0.000 1.190 175 P CA 1.085 64.148 63.100 -0.060 0.000 0.781 175 P CB 0.046 31.728 31.700 -0.031 0.000 0.931 176 G N 0.784 109.542 108.800 -0.069 0.000 2.491 176 G HA2 -0.233 3.719 3.960 -0.014 0.000 0.218 176 G HA3 -0.233 3.719 3.960 -0.014 0.000 0.218 176 G C 0.398 175.234 174.900 -0.107 0.000 1.180 176 G CA 0.648 45.698 45.100 -0.083 0.000 0.774 176 G HN 0.344 nan 8.290 nan 0.000 0.562 177 C N 3.116 122.351 119.300 -0.109 0.000 2.176 177 C HA 0.466 4.918 4.460 -0.014 0.000 0.329 177 C C -1.899 172.974 174.990 -0.195 0.000 1.113 177 C CA -1.840 57.098 59.018 -0.134 0.000 1.562 177 C CB 0.636 28.327 27.740 -0.083 0.000 2.040 177 C HN 0.317 nan 8.230 nan 0.000 0.460 178 P HA 0.143 nan 4.420 nan 0.000 0.277 178 P C -0.234 176.804 177.300 -0.437 0.000 1.240 178 P CA 0.147 62.941 63.100 -0.511 0.000 0.798 178 P CB 0.966 32.053 31.700 -1.021 0.000 0.979 179 D N 0.876 121.098 120.400 -0.296 0.000 2.676 179 D HA 0.080 4.712 4.640 -0.014 0.000 0.239 179 D C 0.059 176.390 176.300 0.052 0.000 1.213 179 D CA -0.293 53.666 54.000 -0.068 0.000 0.835 179 D CB -1.039 39.774 40.800 0.022 0.000 1.009 179 D HN 0.301 nan 8.370 nan 0.000 0.479 180 Y N -0.012 120.169 120.300 -0.198 0.000 2.330 180 Y HA 0.165 4.707 4.550 -0.013 0.000 0.341 180 Y C 1.459 177.162 175.900 -0.328 0.000 1.278 180 Y CA -0.743 57.215 58.100 -0.237 0.000 1.453 180 Y CB 0.814 39.146 38.460 -0.214 0.000 1.342 180 Y HN -0.015 nan 8.280 nan 0.000 0.590 181 S N 1.337 116.913 115.700 -0.206 0.000 2.632 181 S HA 0.665 5.127 4.470 -0.014 0.000 0.289 181 S C -1.392 172.655 174.600 -0.923 0.000 1.115 181 S CA -0.948 56.695 58.200 -0.929 0.000 0.889 181 S CB 2.013 64.872 63.200 -0.568 0.000 1.116 181 S HN 0.415 nan 8.310 nan 0.000 0.486 182 I N 2.026 121.667 120.570 -1.548 0.000 2.433 182 I HA 0.413 4.575 4.170 -0.014 0.000 0.292 182 I C -0.552 175.211 176.117 -0.591 0.000 1.001 182 I CA -0.708 59.981 61.300 -1.018 0.000 1.119 182 I CB 1.622 38.810 38.000 -1.353 0.000 1.289 182 I HN 0.808 nan 8.210 nan 0.000 0.438 183 L N 7.071 128.056 121.223 -0.396 0.000 2.292 183 L HA 0.492 4.824 4.340 -0.014 0.000 0.284 183 L C 0.242 177.010 176.870 -0.169 0.000 1.065 183 L CA 0.199 54.869 54.840 -0.283 0.000 0.806 183 L CB 1.059 42.932 42.059 -0.310 0.000 1.175 183 L HN 0.829 nan 8.230 nan 0.000 0.431 184 S N 2.966 118.602 115.700 -0.106 0.000 2.667 184 S HA 0.678 5.140 4.470 -0.014 0.000 0.292 184 S C -0.849 173.696 174.600 -0.092 0.000 1.126 184 S CA -0.775 57.478 58.200 0.089 0.000 0.881 184 S CB 1.456 64.876 63.200 0.367 0.000 1.132 184 S HN 0.422 nan 8.310 nan 0.000 0.492 185 F N 0.739 120.839 119.950 0.251 0.000 2.492 185 F HA 0.602 5.121 4.527 -0.014 0.000 0.327 185 F C 0.431 176.318 175.800 0.145 0.000 1.079 185 F CA -1.097 57.028 58.000 0.208 0.000 0.967 185 F CB 1.733 40.952 39.000 0.364 0.000 1.169 185 F HN 0.602 nan 8.300 nan 0.000 0.472 186 M N 2.041 121.791 119.600 0.251 0.000 2.252 186 M HA 0.345 4.817 4.480 -0.014 0.000 0.329 186 M C 1.055 177.505 176.300 0.250 0.000 1.101 186 M CA 0.994 56.407 55.300 0.188 0.000 1.117 186 M CB -0.217 32.469 32.600 0.144 0.000 1.563 186 M HN 0.852 nan 8.290 nan 0.000 0.445 187 G N 2.435 111.368 108.800 0.221 0.000 2.184 187 G HA2 -0.139 3.813 3.960 -0.014 0.000 0.264 187 G HA3 -0.139 3.813 3.960 -0.014 0.000 0.264 187 G C 0.194 175.161 174.900 0.113 0.000 0.975 187 G CA 0.431 45.618 45.100 0.145 0.000 0.642 187 G HN 1.303 nan 8.290 nan 0.000 0.536 188 A N -0.677 122.255 122.820 0.187 0.000 2.287 188 A HA 0.837 5.148 4.320 -0.014 0.000 0.273 188 A C -0.537 177.078 177.584 0.050 0.000 1.091 188 A CA 0.013 52.097 52.037 0.079 0.000 0.817 188 A CB 0.949 20.084 19.000 0.224 0.000 1.069 188 A HN 1.422 nan 8.150 nan 0.000 0.492 189 F N 0.536 120.254 119.950 -0.387 0.000 2.630 189 F HA 0.476 4.995 4.527 -0.014 0.000 0.325 189 F C -0.157 175.340 175.800 -0.505 0.000 1.184 189 F CA -0.469 57.345 58.000 -0.310 0.000 1.011 189 F CB 1.531 40.454 39.000 -0.129 0.000 1.268 189 F HN 0.647 nan 8.300 nan 0.000 0.480 190 H N 3.777 122.673 119.070 -0.290 0.000 3.052 190 H HA 0.507 5.055 4.556 -0.014 0.000 0.257 190 H C 0.675 175.868 175.328 -0.225 0.000 1.193 190 H CA 0.232 56.218 56.048 -0.105 0.000 1.072 190 H CB 0.872 30.638 29.762 0.008 0.000 1.685 190 H HN 0.861 nan 8.280 nan 0.000 0.630 191 G N 0.810 109.310 108.800 -0.500 0.000 2.408 191 G HA2 -0.112 3.840 3.960 -0.014 0.000 0.682 191 G HA3 -0.112 3.840 3.960 -0.014 0.000 0.682 191 G C -0.123 174.550 174.900 -0.378 0.000 1.303 191 G CA -0.795 44.138 45.100 -0.277 0.000 0.966 191 G HN 0.220 nan 8.290 nan 0.000 0.560 192 R N -0.608 119.799 120.500 -0.155 0.000 2.531 192 R HA 0.249 4.581 4.340 -0.014 0.000 0.316 192 R C 1.294 177.569 176.300 -0.043 0.000 0.955 192 R CA 0.563 56.598 56.100 -0.108 0.000 1.120 192 R CB 0.715 30.990 30.300 -0.041 0.000 1.361 192 R HN 0.870 nan 8.270 nan 0.000 0.534 193 T N -0.972 113.569 114.554 -0.022 0.000 2.795 193 T HA 0.027 4.369 4.350 -0.014 0.000 0.314 193 T C 1.437 176.155 174.700 0.030 0.000 1.069 193 T CA -0.142 61.963 62.100 0.008 0.000 1.071 193 T CB 0.839 69.718 68.868 0.019 0.000 0.988 193 T HN -0.041 nan 8.240 nan 0.000 0.543 194 M N 1.177 120.806 119.600 0.047 0.000 2.358 194 M HA -0.021 4.451 4.480 -0.014 0.000 0.264 194 M C 2.454 178.843 176.300 0.149 0.000 1.064 194 M CA 1.678 57.004 55.300 0.044 0.000 1.093 194 M CB -0.820 31.784 32.600 0.008 0.000 1.401 194 M HN 0.983 nan 8.290 nan 0.000 0.440 195 G N -0.517 108.435 108.800 0.255 0.000 2.439 195 G HA2 -0.141 3.811 3.960 -0.014 0.000 0.212 195 G HA3 -0.141 3.811 3.960 -0.014 0.000 0.212 195 G C 1.493 176.682 174.900 0.481 0.000 1.199 195 G CA 0.502 45.865 45.100 0.439 0.000 0.807 195 G HN 0.441 nan 8.290 nan 0.000 0.537 196 C N 0.222 119.718 119.300 0.326 0.000 2.398 196 C HA -0.066 4.386 4.460 -0.014 0.000 0.276 196 C C 2.734 177.817 174.990 0.155 0.000 1.222 196 C CA 0.790 59.959 59.018 0.253 0.000 1.746 196 C CB -1.054 26.686 27.740 -0.001 0.000 2.039 196 C HN 0.404 nan 8.230 nan 0.000 0.470 197 L N 1.642 122.886 121.223 0.036 0.000 2.127 197 L HA -0.113 4.219 4.340 -0.014 0.000 0.211 197 L C 2.565 179.383 176.870 -0.087 0.000 1.089 197 L CA 2.137 56.932 54.840 -0.075 0.000 0.757 197 L CB -0.803 41.216 42.059 -0.066 0.000 0.899 197 L HN 0.312 nan 8.230 nan 0.000 0.434 198 A N -1.584 121.230 122.820 -0.011 0.000 1.972 198 A HA -0.200 4.112 4.320 -0.014 0.000 0.219 198 A C 2.245 179.854 177.584 0.042 0.000 1.169 198 A CA 2.018 54.016 52.037 -0.066 0.000 0.635 198 A CB -1.070 17.774 19.000 -0.260 0.000 0.810 198 A HN 0.587 nan 8.150 nan 0.000 0.446 199 T N -4.003 110.668 114.554 0.195 0.000 3.081 199 T HA 0.140 4.482 4.350 -0.014 0.000 0.250 199 T C 0.663 175.501 174.700 0.231 0.000 1.100 199 T CA 0.710 63.028 62.100 0.363 0.000 1.038 199 T CB -0.376 68.763 68.868 0.451 0.000 0.962 199 T HN 0.155 nan 8.240 nan 0.000 0.516 200 T N 2.744 117.194 114.554 -0.172 0.000 2.889 200 T HA 0.317 4.659 4.350 -0.014 0.000 0.291 200 T C -0.379 173.928 174.700 -0.656 0.000 0.995 200 T CA -0.385 61.535 62.100 -0.300 0.000 1.092 200 T CB 0.364 68.979 68.868 -0.421 0.000 0.954 200 T HN 0.398 nan 8.240 nan 0.000 0.506 201 H N 1.570 120.709 119.070 0.114 0.000 3.083 201 H HA 0.192 4.739 4.556 -0.014 0.000 0.217 201 H C 0.869 176.280 175.328 0.138 0.000 1.397 201 H CA -0.206 55.916 56.048 0.124 0.000 1.248 201 H CB 0.239 30.077 29.762 0.127 0.000 2.199 201 H HN 0.645 nan 8.280 nan 0.000 0.521 202 S N 0.005 115.849 115.700 0.240 0.000 2.370 202 S HA 0.144 4.606 4.470 -0.014 0.000 0.214 202 S C 0.744 175.401 174.600 0.095 0.000 1.033 202 S CA 0.148 58.503 58.200 0.258 0.000 0.941 202 S CB 1.313 64.843 63.200 0.550 0.000 0.886 202 S HN 0.227 nan 8.310 nan 0.000 0.521 203 K N -0.439 119.933 120.400 -0.046 0.000 2.550 203 K HA 0.628 4.940 4.320 -0.014 0.000 0.252 203 K C 0.342 176.779 176.600 -0.272 0.000 0.943 203 K CA -0.003 56.106 56.287 -0.297 0.000 0.806 203 K CB 1.730 33.805 32.500 -0.708 0.000 1.289 203 K HN 0.159 nan 8.250 nan 0.000 0.435 204 A N 3.615 126.354 122.820 -0.134 0.000 1.948 204 A HA -0.174 4.138 4.320 -0.014 0.000 0.220 204 A C 1.667 179.212 177.584 -0.065 0.000 1.177 204 A CA 1.584 53.584 52.037 -0.063 0.000 0.636 204 A CB -0.403 18.579 19.000 -0.030 0.000 0.815 204 A HN 0.732 nan 8.150 nan 0.000 0.449 205 I N -0.095 120.405 120.570 -0.117 0.000 2.454 205 I HA -0.237 3.925 4.170 -0.014 0.000 0.254 205 I C 2.049 178.212 176.117 0.077 0.000 1.156 205 I CA 1.642 62.925 61.300 -0.029 0.000 1.433 205 I CB -0.535 37.456 38.000 -0.014 0.000 1.082 205 I HN 0.538 nan 8.210 nan 0.000 0.432 206 H N -0.487 118.616 119.070 0.054 0.000 2.462 206 H HA 0.000 4.548 4.556 -0.014 0.000 0.292 206 H C 1.597 176.937 175.328 0.021 0.000 1.049 206 H CA 0.747 56.834 56.048 0.064 0.000 1.334 206 H CB 0.167 30.004 29.762 0.126 0.000 1.404 206 H HN 0.231 nan 8.280 nan 0.000 0.544 207 K N 0.478 120.945 120.400 0.112 0.000 2.365 207 K HA 0.138 4.450 4.320 -0.014 0.000 0.195 207 K C 0.771 177.381 176.600 0.015 0.000 1.079 207 K CA -0.131 56.180 56.287 0.040 0.000 0.979 207 K CB 0.626 33.135 32.500 0.014 0.000 0.929 207 K HN 0.173 nan 8.250 nan 0.000 0.523 208 I N 2.956 123.538 120.570 0.019 0.000 2.710 208 I HA -0.168 3.994 4.170 -0.014 0.000 0.286 208 I C -0.314 175.804 176.117 0.002 0.000 1.181 208 I CA 1.065 62.369 61.300 0.007 0.000 1.430 208 I CB 0.301 38.306 38.000 0.007 0.000 1.367 208 I HN 0.326 nan 8.210 nan 0.000 0.577 209 D N 4.226 124.620 120.400 -0.009 0.000 2.911 209 D HA -0.160 4.471 4.640 -0.014 0.000 0.199 209 D C -0.468 175.815 176.300 -0.029 0.000 1.041 209 D CA 0.900 54.891 54.000 -0.016 0.000 1.013 209 D CB -0.795 40.000 40.800 -0.007 0.000 1.093 209 D HN 0.193 nan 8.370 nan 0.000 0.431 210 I N 1.703 122.252 120.570 -0.035 0.000 2.336 210 I HA 0.315 4.477 4.170 -0.014 0.000 0.292 210 I C -1.622 174.441 176.117 -0.091 0.000 0.991 210 I CA -2.116 59.150 61.300 -0.056 0.000 1.227 210 I CB 0.248 38.219 38.000 -0.048 0.000 1.366 210 I HN -0.282 nan 8.210 nan 0.000 0.466 211 P HA 0.195 nan 4.420 nan 0.000 0.268 211 P C -0.102 177.047 177.300 -0.252 0.000 1.208 211 P CA 0.070 63.064 63.100 -0.177 0.000 0.777 211 P CB 0.898 32.481 31.700 -0.195 0.000 0.875 212 S N 0.370 115.878 115.700 -0.320 0.000 2.840 212 S HA 0.726 5.188 4.470 -0.014 0.000 0.307 212 S C -1.667 172.569 174.600 -0.607 0.000 1.180 212 S CA -0.711 57.258 58.200 -0.385 0.000 0.846 212 S CB 0.363 63.444 63.200 -0.199 0.000 1.233 212 S HN 0.173 nan 8.310 nan 0.000 0.548 213 F N 1.534 121.195 119.950 -0.481 0.000 2.480 213 F HA 0.361 4.879 4.527 -0.015 0.000 0.329 213 F C 0.009 175.525 175.800 -0.474 0.000 1.091 213 F CA -0.682 56.902 58.000 -0.695 0.000 0.972 213 F CB 1.479 39.451 39.000 -1.712 0.000 1.150 213 F HN 0.525 nan 8.300 nan 0.000 0.467 214 D N 3.526 123.939 120.400 0.022 0.000 2.508 214 D HA 0.059 4.691 4.640 -0.014 0.000 0.224 214 D C -1.231 175.355 176.300 0.477 0.000 1.171 214 D CA 0.072 54.193 54.000 0.202 0.000 1.006 214 D CB -0.106 40.826 40.800 0.220 0.000 1.073 214 D HN 0.151 nan 8.370 nan 0.000 0.513 215 W N 3.401 124.795 121.300 0.156 0.000 2.706 215 W HA 0.407 5.058 4.660 -0.015 0.000 0.346 215 W C -2.031 174.339 176.519 -0.248 0.000 1.071 215 W CA -3.058 54.260 57.345 -0.046 0.000 1.206 215 W CB 0.379 29.810 29.460 -0.048 0.000 1.413 215 W HN 0.182 nan 8.180 nan 0.000 0.542 216 P HA 0.240 nan 4.420 nan 0.000 0.271 216 P C -0.490 176.654 177.300 -0.260 0.000 1.216 216 P CA 0.393 63.157 63.100 -0.560 0.000 0.771 216 P CB 1.143 32.315 31.700 -0.879 0.000 0.864 217 I N 1.951 122.395 120.570 -0.210 0.000 2.436 217 I HA 0.559 4.720 4.170 -0.014 0.000 0.289 217 I C 0.199 176.175 176.117 -0.235 0.000 1.010 217 I CA -0.850 60.291 61.300 -0.265 0.000 1.098 217 I CB 2.002 39.797 38.000 -0.342 0.000 1.266 217 I HN 0.315 nan 8.210 nan 0.000 0.434 218 A N 7.735 130.365 122.820 -0.316 0.000 2.356 218 A HA 0.928 5.240 4.320 -0.014 0.000 0.323 218 A C -2.724 174.869 177.584 0.014 0.000 1.119 218 A CA -1.817 50.075 52.037 -0.242 0.000 0.790 218 A CB 1.063 19.759 19.000 -0.506 0.000 1.273 218 A HN 0.390 nan 8.150 nan 0.000 0.452 219 P HA 0.303 nan 4.420 nan 0.000 0.275 219 P C -1.014 176.575 177.300 0.483 0.000 1.227 219 P CA 0.104 63.354 63.100 0.249 0.000 0.781 219 P CB 0.380 32.159 31.700 0.132 0.000 0.906 220 F N 4.332 124.445 119.950 0.271 0.000 2.421 220 F HA 0.475 4.994 4.527 -0.014 0.000 0.337 220 F C -2.128 173.614 175.800 -0.097 0.000 1.105 220 F CA -2.749 55.300 58.000 0.082 0.000 1.049 220 F CB 0.869 39.905 39.000 0.059 0.000 1.139 220 F HN 0.193 nan 8.300 nan 0.000 0.479 221 P HA -0.039 nan 4.420 nan 0.000 0.263 221 P C -1.257 175.906 177.300 -0.229 0.000 1.175 221 P CA 0.347 63.052 63.100 -0.659 0.000 0.761 221 P CB 0.324 31.345 31.700 -1.133 0.000 0.794 222 R N 4.181 124.618 120.500 -0.104 0.000 2.396 222 R HA 0.302 4.634 4.340 -0.014 0.000 0.292 222 R C -0.488 175.789 176.300 -0.039 0.000 1.240 222 R CA -0.393 55.714 56.100 0.012 0.000 1.270 222 R CB -0.322 29.998 30.300 0.033 0.000 1.108 222 R HN 0.414 nan 8.270 nan 0.000 0.573 223 L N 3.796 125.007 121.223 -0.020 0.000 2.416 223 L HA 0.220 4.552 4.340 -0.014 0.000 0.272 223 L C 0.285 177.059 176.870 -0.161 0.000 1.161 223 L CA 0.097 54.850 54.840 -0.144 0.000 0.845 223 L CB 0.742 42.669 42.059 -0.221 0.000 1.119 223 L HN 0.446 nan 8.230 nan 0.000 0.464 224 K N 3.150 123.335 120.400 -0.358 0.000 2.183 224 K HA 0.417 4.729 4.320 -0.014 0.000 0.274 224 K C -1.250 175.069 176.600 -0.468 0.000 1.009 224 K CA -0.465 55.516 56.287 -0.510 0.000 0.888 224 K CB 1.138 32.960 32.500 -1.131 0.000 1.078 224 K HN 0.241 nan 8.250 nan 0.000 0.459 225 Y N 2.047 122.265 120.300 -0.137 0.000 2.457 225 Y HA 0.315 4.857 4.550 -0.014 0.000 0.333 225 Y C -1.869 174.174 175.900 0.238 0.000 1.119 225 Y CA -2.456 55.693 58.100 0.082 0.000 1.143 225 Y CB 0.724 39.216 38.460 0.053 0.000 1.230 225 Y HN 0.509 nan 8.280 nan 0.000 0.469 226 P HA 0.233 nan 4.420 nan 0.000 0.277 226 P C 0.268 177.698 177.300 0.216 0.000 1.240 226 P CA -0.353 62.937 63.100 0.316 0.000 0.798 226 P CB 0.999 32.827 31.700 0.213 0.000 0.979 227 L N 0.738 122.004 121.223 0.072 0.000 2.056 227 L HA -0.204 4.127 4.340 -0.014 0.000 0.207 227 L C 2.261 179.151 176.870 0.033 0.000 1.078 227 L CA 1.552 56.373 54.840 -0.031 0.000 0.749 227 L CB -1.052 40.959 42.059 -0.079 0.000 0.901 227 L HN 0.466 nan 8.230 nan 0.000 0.433 228 E N 0.749 120.972 120.200 0.038 0.000 2.136 228 E HA -0.308 4.034 4.350 -0.014 0.000 0.202 228 E C 1.728 178.308 176.600 -0.033 0.000 1.019 228 E CA 1.878 58.284 56.400 0.011 0.000 0.819 228 E CB -0.424 29.286 29.700 0.017 0.000 0.739 228 E HN 0.564 nan 8.360 nan 0.000 0.458 229 E N -0.725 119.438 120.200 -0.063 0.000 2.435 229 E HA 0.031 4.373 4.350 -0.014 0.000 0.195 229 E C 0.495 176.785 176.600 -0.516 0.000 1.029 229 E CA 0.299 56.532 56.400 -0.279 0.000 0.865 229 E CB 0.158 29.644 29.700 -0.358 0.000 0.833 229 E HN 0.296 nan 8.360 nan 0.000 0.510 230 F N -1.128 118.796 119.950 -0.044 0.000 2.735 230 F HA 0.100 4.619 4.527 -0.014 0.000 0.308 230 F C 1.430 177.192 175.800 -0.063 0.000 1.112 230 F CA -0.313 57.654 58.000 -0.055 0.000 1.235 230 F CB 0.660 39.613 39.000 -0.078 0.000 1.027 230 F HN -0.168 nan 8.300 nan 0.000 0.528 231 V N 0.342 120.291 119.914 0.058 0.000 2.236 231 V HA -0.445 3.666 4.120 -0.014 0.000 0.255 231 V C 2.446 178.559 176.094 0.032 0.000 1.068 231 V CA 2.537 64.854 62.300 0.028 0.000 1.044 231 V CB -0.818 31.007 31.823 0.004 0.000 0.653 231 V HN 0.271 nan 8.190 nan 0.000 0.448 232 K N -1.123 119.295 120.400 0.030 0.000 2.002 232 K HA -0.212 4.099 4.320 -0.014 0.000 0.209 232 K C 2.071 178.696 176.600 0.042 0.000 1.048 232 K CA 1.788 58.092 56.287 0.028 0.000 0.930 232 K CB -0.611 31.901 32.500 0.020 0.000 0.714 232 K HN 0.758 nan 8.250 nan 0.000 0.438 233 E N 0.692 120.945 120.200 0.088 0.000 2.049 233 E HA -0.160 4.181 4.350 -0.014 0.000 0.198 233 E C 2.074 178.689 176.600 0.026 0.000 1.007 233 E CA 1.711 58.166 56.400 0.090 0.000 0.809 233 E CB -0.334 29.493 29.700 0.212 0.000 0.749 233 E HN 0.265 nan 8.360 nan 0.000 0.450 234 N N 0.282 118.996 118.700 0.023 0.000 2.223 234 N HA -0.146 4.586 4.740 -0.014 0.000 0.185 234 N C 1.700 177.176 175.510 -0.055 0.000 1.016 234 N CA 0.896 53.915 53.050 -0.052 0.000 0.863 234 N CB -0.141 38.304 38.487 -0.070 0.000 0.983 234 N HN 0.247 nan 8.380 nan 0.000 0.429 235 Q N 0.312 120.100 119.800 -0.021 0.000 2.020 235 Q HA -0.200 4.132 4.340 -0.014 0.000 0.202 235 Q C 2.563 178.551 176.000 -0.019 0.000 0.982 235 Q CA 2.446 58.239 55.803 -0.017 0.000 0.838 235 Q CB -0.319 28.418 28.738 -0.001 0.000 0.899 235 Q HN 0.587 nan 8.270 nan 0.000 0.423 236 Q N 0.866 120.659 119.800 -0.011 0.000 2.124 236 Q HA -0.238 4.094 4.340 -0.014 0.000 0.202 236 Q C 1.659 177.646 176.000 -0.022 0.000 0.977 236 Q CA 1.855 57.654 55.803 -0.008 0.000 0.850 236 Q CB -0.684 28.056 28.738 0.003 0.000 0.901 236 Q HN 0.489 nan 8.270 nan 0.000 0.429 237 E N 0.635 120.808 120.200 -0.045 0.000 2.051 237 E HA -0.191 4.151 4.350 -0.014 0.000 0.192 237 E C 1.941 178.478 176.600 -0.104 0.000 0.991 237 E CA 1.843 58.198 56.400 -0.074 0.000 0.799 237 E CB -0.163 29.474 29.700 -0.105 0.000 0.748 237 E HN 0.789 nan 8.360 nan 0.000 0.449 238 E N 0.046 120.167 120.200 -0.132 0.000 2.038 238 E HA -0.233 4.109 4.350 -0.014 0.000 0.195 238 E C 2.137 178.752 176.600 0.024 0.000 1.000 238 E CA 1.107 57.426 56.400 -0.136 0.000 0.803 238 E CB -0.329 29.308 29.700 -0.104 0.000 0.750 238 E HN 0.427 nan 8.360 nan 0.000 0.448 239 A N 1.859 124.689 122.820 0.016 0.000 1.908 239 A HA -0.254 4.058 4.320 -0.014 0.000 0.218 239 A C 2.142 179.743 177.584 0.029 0.000 1.181 239 A CA 1.818 53.871 52.037 0.027 0.000 0.627 239 A CB -0.612 18.395 19.000 0.011 0.000 0.818 239 A HN 0.170 nan 8.150 nan 0.000 0.445 240 R N -0.594 119.915 120.500 0.014 0.000 2.083 240 R HA -0.175 4.157 4.340 -0.014 0.000 0.237 240 R C 2.153 178.476 176.300 0.037 0.000 1.137 240 R CA 2.119 58.230 56.100 0.017 0.000 0.951 240 R CB -0.936 29.367 30.300 0.005 0.000 0.851 240 R HN 0.504 nan 8.270 nan 0.000 0.434 241 C N 0.924 120.250 119.300 0.044 0.000 2.436 241 C HA -0.061 4.390 4.460 -0.014 0.000 0.277 241 C C 2.739 177.831 174.990 0.171 0.000 1.241 241 C CA 0.728 59.809 59.018 0.105 0.000 1.721 241 C CB -1.018 26.759 27.740 0.061 0.000 2.043 241 C HN 0.541 nan 8.230 nan 0.000 0.472 242 L N 0.879 122.213 121.223 0.185 0.000 2.043 242 L HA -0.197 4.134 4.340 -0.014 0.000 0.212 242 L C 3.006 179.905 176.870 0.049 0.000 1.075 242 L CA 2.330 57.233 54.840 0.105 0.000 0.752 242 L CB -1.118 40.959 42.059 0.031 0.000 0.891 242 L HN 0.577 nan 8.230 nan 0.000 0.432 243 E N 0.395 120.620 120.200 0.042 0.000 2.077 243 E HA -0.256 4.085 4.350 -0.014 0.000 0.193 243 E C 1.932 178.544 176.600 0.019 0.000 0.989 243 E CA 1.506 57.922 56.400 0.025 0.000 0.800 243 E CB -0.652 29.062 29.700 0.023 0.000 0.746 243 E HN 0.649 nan 8.360 nan 0.000 0.452 244 E N -0.106 120.112 120.200 0.029 0.000 2.153 244 E HA -0.090 4.252 4.350 -0.014 0.000 0.194 244 E C 2.309 178.898 176.600 -0.018 0.000 0.988 244 E CA 1.045 57.454 56.400 0.015 0.000 0.811 244 E CB -0.078 29.640 29.700 0.029 0.000 0.746 244 E HN 0.403 nan 8.360 nan 0.000 0.466 245 V N 1.214 121.122 119.914 -0.010 0.000 2.237 245 V HA -0.286 3.826 4.120 -0.014 0.000 0.245 245 V C 2.313 178.336 176.094 -0.119 0.000 1.046 245 V CA 2.141 64.394 62.300 -0.078 0.000 1.007 245 V CB -0.460 31.354 31.823 -0.015 0.000 0.638 245 V HN 0.254 nan 8.190 nan 0.000 0.445 246 E N 0.042 120.187 120.200 -0.092 0.000 2.049 246 E HA -0.290 4.052 4.350 -0.014 0.000 0.198 246 E C 1.915 178.438 176.600 -0.130 0.000 1.007 246 E CA 1.927 58.240 56.400 -0.144 0.000 0.809 246 E CB -0.154 29.538 29.700 -0.014 0.000 0.749 246 E HN 0.633 nan 8.360 nan 0.000 0.450 247 D N 0.330 120.701 120.400 -0.048 0.000 2.106 247 D HA -0.206 4.425 4.640 -0.014 0.000 0.191 247 D C 2.153 178.443 176.300 -0.016 0.000 0.997 247 D CA 0.930 54.920 54.000 -0.016 0.000 0.834 247 D CB -0.455 40.349 40.800 0.006 0.000 0.956 247 D HN 0.252 nan 8.370 nan 0.000 0.448 248 L N 0.638 121.841 121.223 -0.034 0.000 2.013 248 L HA -0.216 4.116 4.340 -0.014 0.000 0.212 248 L C 2.612 179.480 176.870 -0.003 0.000 1.073 248 L CA 0.974 55.808 54.840 -0.010 0.000 0.753 248 L CB -0.360 41.630 42.059 -0.115 0.000 0.890 248 L HN 0.058 nan 8.230 nan 0.000 0.432 249 I N -1.205 119.283 120.570 -0.136 0.000 2.163 249 I HA -0.317 3.844 4.170 -0.014 0.000 0.243 249 I C 2.466 178.553 176.117 -0.051 0.000 1.085 249 I CA 1.336 62.534 61.300 -0.171 0.000 1.347 249 I CB -0.478 37.272 38.000 -0.417 0.000 1.044 249 I HN 0.053 nan 8.210 nan 0.000 0.408 250 V N 0.982 120.861 119.914 -0.058 0.000 2.255 250 V HA -0.340 3.772 4.120 -0.014 0.000 0.247 250 V C 2.576 178.703 176.094 0.055 0.000 1.051 250 V CA 2.101 64.417 62.300 0.027 0.000 1.018 250 V CB -0.754 31.094 31.823 0.041 0.000 0.641 250 V HN 0.420 nan 8.190 nan 0.000 0.445 251 K N -1.062 119.382 120.400 0.074 0.000 2.074 251 K HA -0.247 4.065 4.320 -0.014 0.000 0.209 251 K C 2.142 178.745 176.600 0.005 0.000 1.048 251 K CA 2.215 58.538 56.287 0.060 0.000 0.926 251 K CB -0.277 32.296 32.500 0.122 0.000 0.713 251 K HN 0.519 nan 8.250 nan 0.000 0.444 252 Y N -0.274 120.010 120.300 -0.026 0.000 2.395 252 Y HA -0.111 4.430 4.550 -0.014 0.000 0.293 252 Y C 2.723 178.612 175.900 -0.018 0.000 1.123 252 Y CA 0.841 58.930 58.100 -0.018 0.000 1.227 252 Y CB -0.226 38.210 38.460 -0.039 0.000 1.012 252 Y HN -0.041 nan 8.280 nan 0.000 0.552 253 R N 0.813 121.372 120.500 0.097 0.000 2.081 253 R HA -0.121 4.210 4.340 -0.014 0.000 0.235 253 R C 1.961 178.280 176.300 0.032 0.000 1.131 253 R CA 1.873 58.006 56.100 0.054 0.000 0.960 253 R CB -0.528 29.808 30.300 0.060 0.000 0.856 253 R HN 0.454 nan 8.270 nan 0.000 0.436 254 K N -0.051 120.356 120.400 0.012 0.000 2.155 254 K HA 0.034 4.346 4.320 -0.014 0.000 0.203 254 K C 2.303 178.878 176.600 -0.042 0.000 1.052 254 K CA 1.451 57.732 56.287 -0.010 0.000 0.948 254 K CB -0.104 32.388 32.500 -0.013 0.000 0.728 254 K HN 0.221 nan 8.250 nan 0.000 0.448 255 K N 1.073 121.412 120.400 -0.102 0.000 2.574 255 K HA -0.021 4.290 4.320 -0.014 0.000 0.193 255 K C -0.158 176.409 176.600 -0.055 0.000 1.035 255 K CA 0.459 56.660 56.287 -0.143 0.000 0.982 255 K CB 0.042 32.327 32.500 -0.360 0.000 0.795 255 K HN 0.047 nan 8.250 nan 0.000 0.491 256 K N 0.268 120.667 120.400 -0.002 0.000 3.071 256 K HA -0.207 4.104 4.320 -0.014 0.000 0.265 256 K C -0.811 175.846 176.600 0.096 0.000 1.060 256 K CA 0.809 57.127 56.287 0.052 0.000 0.767 256 K CB -1.133 31.393 32.500 0.043 0.000 1.241 256 K HN 0.175 nan 8.250 nan 0.000 0.486 257 K N 0.974 121.439 120.400 0.109 0.000 3.205 257 K HA 0.103 4.415 4.320 -0.014 0.000 0.202 257 K C -0.423 176.286 176.600 0.182 0.000 1.160 257 K CA -0.338 56.069 56.287 0.199 0.000 0.995 257 K CB 0.976 33.638 32.500 0.271 0.000 1.041 257 K HN 0.051 nan 8.250 nan 0.000 0.507 258 T N 1.151 115.752 114.554 0.079 0.000 2.872 258 T HA -0.082 4.260 4.350 -0.014 0.000 0.292 258 T C 0.574 175.103 174.700 -0.284 0.000 1.036 258 T CA 0.233 62.239 62.100 -0.157 0.000 1.136 258 T CB 0.556 69.144 68.868 -0.467 0.000 1.052 258 T HN -0.007 nan 8.240 nan 0.000 0.512 259 V N 3.860 123.610 119.914 -0.274 0.000 2.370 259 V HA 0.286 4.398 4.120 -0.014 0.000 0.257 259 V C 1.265 177.092 176.094 -0.445 0.000 1.064 259 V CA 0.004 62.108 62.300 -0.327 0.000 0.975 259 V CB 0.073 31.749 31.823 -0.245 0.000 1.067 259 V HN 1.136 nan 8.190 nan 0.000 0.485 260 A N 4.161 126.672 122.820 -0.516 0.000 1.970 260 A HA 0.501 4.813 4.320 -0.014 0.000 0.216 260 A C 1.190 178.707 177.584 -0.111 0.000 1.170 260 A CA 1.085 52.820 52.037 -0.503 0.000 0.645 260 A CB -0.010 18.817 19.000 -0.288 0.000 0.816 260 A HN 0.954 nan 8.150 nan 0.000 0.447 261 G N -1.590 107.060 108.800 -0.249 0.000 2.692 261 G HA2 0.548 4.500 3.960 -0.014 0.000 0.291 261 G HA3 0.548 4.500 3.960 -0.014 0.000 0.291 261 G C -1.337 173.437 174.900 -0.210 0.000 1.423 261 G CA -0.591 44.399 45.100 -0.184 0.000 0.843 261 G HN 0.109 nan 8.290 nan 0.000 0.486 262 I N 0.940 121.464 120.570 -0.077 0.000 2.465 262 I HA 0.502 4.664 4.170 -0.014 0.000 0.291 262 I C -0.620 175.481 176.117 -0.027 0.000 1.014 262 I CA -0.801 60.495 61.300 -0.007 0.000 1.093 262 I CB 2.197 40.318 38.000 0.202 0.000 1.267 262 I HN 0.355 nan 8.210 nan 0.000 0.431 263 I N 7.027 127.587 120.570 -0.017 0.000 2.474 263 I HA 0.705 4.866 4.170 -0.014 0.000 0.294 263 I C -1.507 174.727 176.117 0.194 0.000 1.005 263 I CA -0.600 60.663 61.300 -0.062 0.000 1.113 263 I CB 1.918 39.792 38.000 -0.209 0.000 1.289 263 I HN 0.388 nan 8.210 nan 0.000 0.436 264 V N 6.589 126.614 119.914 0.186 0.000 3.120 264 V HA 0.437 4.549 4.120 -0.014 0.000 0.303 264 V C -1.248 175.057 176.094 0.351 0.000 1.238 264 V CA -0.432 62.119 62.300 0.417 0.000 1.008 264 V CB 2.655 34.766 31.823 0.480 0.000 1.064 264 V HN 0.836 nan 8.190 nan 0.000 0.434 265 E N 5.589 126.005 120.200 0.360 0.000 2.216 265 E HA 0.363 4.704 4.350 -0.014 0.000 0.279 265 E C -2.037 174.690 176.600 0.212 0.000 0.997 265 E CA -1.668 54.864 56.400 0.219 0.000 0.817 265 E CB 1.809 31.576 29.700 0.112 0.000 1.096 265 E HN 0.471 nan 8.360 nan 0.000 0.393 266 P HA -0.133 nan 4.420 nan 0.000 0.216 266 P C -0.301 177.003 177.300 0.007 0.000 1.150 266 P CA 1.371 64.386 63.100 -0.143 0.000 0.843 266 P CB 0.284 31.865 31.700 -0.199 0.000 0.787 267 I N -1.484 119.051 120.570 -0.059 0.000 2.534 267 I HA 0.155 4.317 4.170 -0.014 0.000 0.288 267 I C -0.235 175.832 176.117 -0.083 0.000 1.077 267 I CA -0.832 60.403 61.300 -0.108 0.000 1.051 267 I CB 2.332 40.086 38.000 -0.411 0.000 1.234 267 I HN -0.307 nan 8.210 nan 0.000 0.425 268 Q N 3.955 123.658 119.800 -0.162 0.000 2.286 268 Q HA 0.230 4.562 4.340 -0.014 0.000 0.267 268 Q C 0.203 176.190 176.000 -0.021 0.000 1.028 268 Q CA -0.083 55.614 55.803 -0.177 0.000 0.901 268 Q CB 1.465 29.968 28.738 -0.391 0.000 1.183 268 Q HN 0.701 nan 8.270 nan 0.000 0.392 269 S N 2.327 118.046 115.700 0.031 0.000 2.338 269 S HA -0.069 4.393 4.470 -0.014 0.000 0.197 269 S C 1.322 175.912 174.600 -0.017 0.000 0.990 269 S CA 0.083 58.323 58.200 0.067 0.000 0.920 269 S CB 0.129 63.392 63.200 0.104 0.000 0.903 269 S HN 0.584 nan 8.310 nan 0.000 0.542 270 E N 1.452 121.602 120.200 -0.083 0.000 2.160 270 E HA -0.083 4.258 4.350 -0.014 0.000 0.195 270 E C 1.969 178.563 176.600 -0.009 0.000 0.991 270 E CA 1.079 57.398 56.400 -0.135 0.000 0.810 270 E CB -0.916 28.535 29.700 -0.416 0.000 0.742 270 E HN 0.555 nan 8.360 nan 0.000 0.466 271 G N -0.008 108.814 108.800 0.036 0.000 2.625 271 G HA2 0.088 4.040 3.960 -0.014 0.000 0.214 271 G HA3 0.088 4.040 3.960 -0.014 0.000 0.214 271 G C 0.856 175.776 174.900 0.034 0.000 1.132 271 G CA 0.580 45.715 45.100 0.059 0.000 0.782 271 G HN 0.431 nan 8.290 nan 0.000 0.538 272 G N 0.178 108.987 108.800 0.016 0.000 2.441 272 G HA2 0.001 3.953 3.960 -0.014 0.000 0.139 272 G HA3 0.001 3.953 3.960 -0.014 0.000 0.139 272 G C -0.297 174.633 174.900 0.050 0.000 1.067 272 G CA -0.172 44.938 45.100 0.016 0.000 0.766 272 G HN 0.269 nan 8.290 nan 0.000 0.484 273 D N 0.093 120.530 120.400 0.061 0.000 2.894 273 D HA -0.154 4.478 4.640 -0.014 0.000 0.216 273 D C 0.306 176.753 176.300 0.244 0.000 1.245 273 D CA 1.260 55.350 54.000 0.151 0.000 0.728 273 D CB -0.372 40.531 40.800 0.171 0.000 0.924 273 D HN 0.520 nan 8.370 nan 0.000 0.395 274 N N 1.759 120.557 118.700 0.164 0.000 2.422 274 N HA 0.191 4.922 4.740 -0.014 0.000 0.266 274 N C 0.013 175.763 175.510 0.400 0.000 1.007 274 N CA -0.115 53.111 53.050 0.294 0.000 0.941 274 N CB 0.871 39.463 38.487 0.174 0.000 1.115 274 N HN 0.405 nan 8.380 nan 0.000 0.492 275 H N 0.171 119.478 119.070 0.395 0.000 2.595 275 H HA 0.761 5.309 4.556 -0.014 0.000 0.346 275 H C -0.398 175.113 175.328 0.304 0.000 1.181 275 H CA -0.931 55.359 56.048 0.404 0.000 1.242 275 H CB 2.067 32.023 29.762 0.323 0.000 1.652 275 H HN 0.570 nan 8.280 nan 0.000 0.548 276 A N 0.925 123.988 122.820 0.404 0.000 2.593 276 A HA 0.429 4.741 4.320 -0.014 0.000 0.290 276 A C -0.413 177.297 177.584 0.211 0.000 1.126 276 A CA -0.660 51.370 52.037 -0.011 0.000 0.695 276 A CB 1.232 19.816 19.000 -0.694 0.000 1.290 276 A HN 0.703 nan 8.150 nan 0.000 0.414 277 S N -0.031 115.715 115.700 0.078 0.000 2.592 277 S HA 0.254 4.716 4.470 -0.014 0.000 0.271 277 S C -0.021 174.761 174.600 0.303 0.000 1.326 277 S CA 0.111 58.416 58.200 0.175 0.000 1.024 277 S CB 0.702 63.953 63.200 0.085 0.000 0.921 277 S HN 0.523 nan 8.310 nan 0.000 0.527 278 D N 1.104 121.694 120.400 0.317 0.000 2.144 278 D HA -0.123 4.509 4.640 -0.014 0.000 0.199 278 D C 1.400 177.765 176.300 0.108 0.000 0.984 278 D CA 1.639 55.829 54.000 0.317 0.000 0.834 278 D CB -0.543 40.481 40.800 0.373 0.000 0.955 278 D HN 0.867 nan 8.370 nan 0.000 0.465 279 D N -0.335 120.121 120.400 0.093 0.000 2.123 279 D HA -0.206 4.426 4.640 -0.014 0.000 0.196 279 D C 1.892 178.155 176.300 -0.062 0.000 0.992 279 D CA 0.689 54.700 54.000 0.017 0.000 0.833 279 D CB -0.235 40.583 40.800 0.031 0.000 0.954 279 D HN 0.129 nan 8.370 nan 0.000 0.455 280 F N 0.088 119.915 119.950 -0.206 0.000 2.046 280 F HA -0.167 4.352 4.527 -0.014 0.000 0.297 280 F C 1.852 177.359 175.800 -0.488 0.000 1.123 280 F CA 1.617 59.393 58.000 -0.374 0.000 1.199 280 F CB -0.806 37.872 39.000 -0.538 0.000 0.972 280 F HN -0.019 nan 8.300 nan 0.000 0.474 281 F N 0.581 120.211 119.950 -0.534 0.000 2.161 281 F HA -0.149 4.369 4.527 -0.014 0.000 0.300 281 F C 2.600 177.871 175.800 -0.883 0.000 1.089 281 F CA 1.556 58.986 58.000 -0.950 0.000 1.282 281 F CB -0.593 37.419 39.000 -1.646 0.000 1.010 281 F HN -0.123 nan 8.300 nan 0.000 0.485 282 R N 0.463 120.700 120.500 -0.438 0.000 2.081 282 R HA -0.142 4.189 4.340 -0.014 0.000 0.235 282 R C 2.118 178.234 176.300 -0.307 0.000 1.131 282 R CA 1.392 57.331 56.100 -0.269 0.000 0.960 282 R CB -0.306 29.934 30.300 -0.100 0.000 0.856 282 R HN 0.295 nan 8.270 nan 0.000 0.436 283 K N 0.355 120.550 120.400 -0.341 0.000 2.097 283 K HA -0.121 4.191 4.320 -0.014 0.000 0.205 283 K C 2.039 178.398 176.600 -0.402 0.000 1.050 283 K CA 0.778 56.878 56.287 -0.312 0.000 0.938 283 K CB -0.219 32.122 32.500 -0.264 0.000 0.718 283 K HN 0.028 nan 8.250 nan 0.000 0.442 284 L N 1.866 122.723 121.223 -0.611 0.000 2.083 284 L HA -0.144 4.188 4.340 -0.014 0.000 0.209 284 L C 2.316 178.788 176.870 -0.663 0.000 1.083 284 L CA 1.626 56.117 54.840 -0.581 0.000 0.752 284 L CB -0.459 41.183 42.059 -0.696 0.000 0.899 284 L HN 0.066 nan 8.230 nan 0.000 0.433 285 R N -0.222 119.757 120.500 -0.868 0.000 2.096 285 R HA -0.158 4.174 4.340 -0.014 0.000 0.235 285 R C 1.761 177.743 176.300 -0.529 0.000 1.127 285 R CA 1.788 57.229 56.100 -1.098 0.000 0.968 285 R CB -0.507 29.372 30.300 -0.701 0.000 0.861 285 R HN 0.451 nan 8.270 nan 0.000 0.440 286 D N 0.385 120.585 120.400 -0.333 0.000 2.117 286 D HA -0.098 4.534 4.640 -0.014 0.000 0.198 286 D C 2.022 178.248 176.300 -0.123 0.000 0.982 286 D CA 0.931 54.824 54.000 -0.178 0.000 0.828 286 D CB -0.224 40.496 40.800 -0.132 0.000 0.967 286 D HN 0.254 nan 8.370 nan 0.000 0.464 287 I N 0.434 120.924 120.570 -0.133 0.000 2.127 287 I HA -0.303 3.859 4.170 -0.014 0.000 0.241 287 I C 2.509 178.675 176.117 0.081 0.000 1.075 287 I CA 0.940 62.242 61.300 0.003 0.000 1.334 287 I CB -0.276 37.703 38.000 -0.034 0.000 1.040 287 I HN -0.041 nan 8.210 nan 0.000 0.405 288 S N 0.359 116.030 115.700 -0.049 0.000 2.359 288 S HA -0.294 4.168 4.470 -0.014 0.000 0.223 288 S C 2.229 176.887 174.600 0.097 0.000 1.039 288 S CA 1.931 60.149 58.200 0.029 0.000 1.042 288 S CB -0.298 62.877 63.200 -0.043 0.000 0.915 288 S HN 0.318 nan 8.310 nan 0.000 0.439 289 R N 0.908 121.421 120.500 0.021 0.000 2.073 289 R HA -0.118 4.214 4.340 -0.014 0.000 0.234 289 R C 2.450 178.788 176.300 0.063 0.000 1.134 289 R CA 1.928 58.065 56.100 0.061 0.000 0.952 289 R CB -0.377 29.928 30.300 0.009 0.000 0.850 289 R HN 0.459 nan 8.270 nan 0.000 0.433 290 K N -0.514 119.895 120.400 0.015 0.000 2.113 290 K HA -0.194 4.118 4.320 -0.014 0.000 0.208 290 K C 0.962 177.472 176.600 -0.151 0.000 1.047 290 K CA 1.781 58.019 56.287 -0.082 0.000 0.928 290 K CB -0.115 32.306 32.500 -0.130 0.000 0.716 290 K HN 0.453 nan 8.250 nan 0.000 0.446 291 H N -1.255 117.837 119.070 0.037 0.000 2.520 291 H HA 0.141 4.689 4.556 -0.014 0.000 0.284 291 H C 0.686 176.084 175.328 0.118 0.000 1.037 291 H CA 0.496 56.578 56.048 0.056 0.000 1.168 291 H CB 0.874 30.658 29.762 0.036 0.000 1.497 291 H HN 0.570 nan 8.280 nan 0.000 0.547 292 G N 1.390 110.333 108.800 0.238 0.000 2.179 292 G HA2 -0.306 3.645 3.960 -0.014 0.000 0.257 292 G HA3 -0.306 3.645 3.960 -0.014 0.000 0.257 292 G C 0.223 175.430 174.900 0.513 0.000 1.010 292 G CA 0.327 45.613 45.100 0.311 0.000 0.736 292 G HN 0.417 nan 8.290 nan 0.000 0.513 293 C N 1.198 120.730 119.300 0.387 0.000 2.435 293 C HA 0.731 5.183 4.460 -0.014 0.000 0.375 293 C C 1.342 176.530 174.990 0.330 0.000 1.281 293 C CA -0.285 58.930 59.018 0.328 0.000 1.963 293 C CB 0.215 28.051 27.740 0.159 0.000 2.490 293 C HN 1.087 nan 8.230 nan 0.000 0.557 294 A N 3.313 126.309 122.820 0.294 0.000 2.477 294 A HA 0.448 4.760 4.320 -0.014 0.000 0.246 294 A C -0.535 177.063 177.584 0.024 0.000 1.078 294 A CA -0.002 52.027 52.037 -0.013 0.000 0.770 294 A CB -0.009 18.851 19.000 -0.235 0.000 1.011 294 A HN 0.785 nan 8.150 nan 0.000 0.494 295 F N 3.663 123.506 119.950 -0.177 0.000 2.334 295 F HA 0.450 4.968 4.527 -0.014 0.000 0.367 295 F C -0.366 175.337 175.800 -0.162 0.000 1.115 295 F CA -1.060 56.877 58.000 -0.106 0.000 1.116 295 F CB 0.770 39.748 39.000 -0.037 0.000 1.230 295 F HN 0.464 nan 8.300 nan 0.000 0.484 296 L N 7.696 128.642 121.223 -0.462 0.000 2.262 296 L HA 0.508 4.840 4.340 -0.014 0.000 0.288 296 L C -1.235 175.327 176.870 -0.514 0.000 1.035 296 L CA -0.646 53.924 54.840 -0.450 0.000 0.820 296 L CB 0.988 42.863 42.059 -0.308 0.000 1.204 296 L HN 0.301 nan 8.230 nan 0.000 0.424 297 V N 3.809 123.445 119.914 -0.464 0.000 2.394 297 V HA 0.213 4.325 4.120 -0.014 0.000 0.282 297 V C -0.196 175.802 176.094 -0.161 0.000 1.031 297 V CA -0.588 61.530 62.300 -0.303 0.000 0.881 297 V CB 1.621 33.275 31.823 -0.281 0.000 0.982 297 V HN 0.604 nan 8.190 nan 0.000 0.451 298 D N 4.014 124.392 120.400 -0.036 0.000 2.467 298 D HA 0.189 4.821 4.640 -0.014 0.000 0.220 298 D C 0.564 176.918 176.300 0.089 0.000 1.103 298 D CA -0.270 53.756 54.000 0.043 0.000 0.886 298 D CB 0.981 41.888 40.800 0.178 0.000 1.025 298 D HN 0.566 nan 8.370 nan 0.000 0.514 299 E N 2.748 123.005 120.200 0.095 0.000 2.394 299 E HA 0.038 4.380 4.350 -0.014 0.000 0.191 299 E C 1.598 178.354 176.600 0.260 0.000 1.044 299 E CA -0.103 56.406 56.400 0.181 0.000 0.939 299 E CB 0.942 30.814 29.700 0.286 0.000 1.089 299 E HN 0.350 nan 8.360 nan 0.000 0.456 300 V N 0.912 120.946 119.914 0.200 0.000 2.324 300 V HA -0.312 3.800 4.120 -0.014 0.000 0.250 300 V C 2.396 178.591 176.094 0.168 0.000 1.060 300 V CA 2.215 64.634 62.300 0.198 0.000 1.042 300 V CB -0.218 31.688 31.823 0.138 0.000 0.650 300 V HN 0.327 nan 8.190 nan 0.000 0.450 301 Q N -0.695 119.192 119.800 0.145 0.000 2.304 301 Q HA -0.090 4.242 4.340 -0.014 0.000 0.204 301 Q C 2.243 178.350 176.000 0.179 0.000 0.936 301 Q CA 1.188 57.078 55.803 0.145 0.000 0.878 301 Q CB 0.165 28.997 28.738 0.155 0.000 0.983 301 Q HN 0.764 nan 8.270 nan 0.000 0.516 302 T N -2.173 112.421 114.554 0.067 0.000 3.035 302 T HA 0.121 4.463 4.350 -0.014 0.000 0.268 302 T C 0.933 175.593 174.700 -0.068 0.000 1.109 302 T CA 0.362 62.375 62.100 -0.146 0.000 1.119 302 T CB -0.170 68.500 68.868 -0.329 0.000 0.900 302 T HN 0.244 nan 8.240 nan 0.000 0.503 303 G N -0.470 108.380 108.800 0.083 0.000 2.467 303 G HA2 0.459 4.411 3.960 -0.014 0.000 0.257 303 G HA3 0.459 4.411 3.960 -0.014 0.000 0.257 303 G C 0.823 175.532 174.900 -0.318 0.000 1.227 303 G CA -0.233 44.912 45.100 0.075 0.000 0.835 303 G HN 1.131 nan 8.290 nan 0.000 0.556 304 G N -0.835 107.411 108.800 -0.925 0.000 2.151 304 G HA2 0.316 4.267 3.960 -0.014 0.000 0.140 304 G HA3 0.316 4.267 3.960 -0.014 0.000 0.140 304 G C 1.162 175.449 174.900 -1.022 0.000 1.020 304 G CA 0.754 45.172 45.100 -1.137 0.000 0.688 304 G HN 2.489 nan 8.290 nan 0.000 0.500 305 G N -0.377 107.872 108.800 -0.919 0.000 2.268 305 G HA2 -0.099 3.853 3.960 -0.014 0.000 0.240 305 G HA3 -0.099 3.853 3.960 -0.014 0.000 0.240 305 G C 2.003 176.748 174.900 -0.258 0.000 1.010 305 G CA 1.747 46.518 45.100 -0.548 0.000 0.618 305 G HN 2.251 nan 8.290 nan 0.000 0.516 306 S N 0.535 116.116 115.700 -0.197 0.000 2.440 306 S HA -0.093 4.369 4.470 -0.014 0.000 0.238 306 S C 2.134 176.753 174.600 0.031 0.000 1.010 306 S CA 2.422 60.593 58.200 -0.048 0.000 0.972 306 S CB -0.777 62.440 63.200 0.028 0.000 0.774 306 S HN 1.742 nan 8.310 nan 0.000 0.501 307 T N -3.204 111.356 114.554 0.009 0.000 3.188 307 T HA 0.539 4.881 4.350 -0.014 0.000 0.250 307 T C 1.466 176.259 174.700 0.156 0.000 1.077 307 T CA 0.569 62.720 62.100 0.085 0.000 0.967 307 T CB -0.222 68.685 68.868 0.065 0.000 1.006 307 T HN 1.206 nan 8.240 nan 0.000 0.552 308 G N 1.018 109.853 108.800 0.059 0.000 2.194 308 G HA2 -0.179 3.773 3.960 -0.014 0.000 0.236 308 G HA3 -0.179 3.773 3.960 -0.014 0.000 0.236 308 G C -0.092 174.794 174.900 -0.023 0.000 0.987 308 G CA -0.021 45.116 45.100 0.063 0.000 0.635 308 G HN 0.669 nan 8.290 nan 0.000 0.520 309 K N -0.966 119.356 120.400 -0.130 0.000 2.469 309 K HA 0.535 4.847 4.320 -0.014 0.000 0.254 309 K C 0.339 176.756 176.600 -0.305 0.000 0.939 309 K CA -0.961 55.167 56.287 -0.266 0.000 0.812 309 K CB 1.929 34.111 32.500 -0.531 0.000 1.301 309 K HN -0.044 nan 8.250 nan 0.000 0.433 310 F N 1.001 120.687 119.950 -0.439 0.000 2.063 310 F HA -0.165 4.354 4.527 -0.014 0.000 0.298 310 F C 0.132 175.418 175.800 -0.856 0.000 1.109 310 F CA 1.782 59.374 58.000 -0.679 0.000 1.212 310 F CB 0.194 38.705 39.000 -0.816 0.000 0.973 310 F HN 0.472 nan 8.300 nan 0.000 0.480 311 W N -1.242 119.947 121.300 -0.184 0.000 2.478 311 W HA 0.535 5.186 4.660 -0.014 0.000 0.318 311 W C 0.955 177.136 176.519 -0.564 0.000 1.062 311 W CA -0.509 56.621 57.345 -0.358 0.000 1.210 311 W CB 0.996 30.191 29.460 -0.442 0.000 1.325 311 W HN -0.039 nan 8.180 nan 0.000 0.496 312 A N 2.217 124.916 122.820 -0.202 0.000 1.917 312 A HA -0.309 4.002 4.320 -0.014 0.000 0.219 312 A C 1.978 179.244 177.584 -0.531 0.000 1.182 312 A CA 2.219 54.105 52.037 -0.251 0.000 0.633 312 A CB -1.264 17.602 19.000 -0.224 0.000 0.819 312 A HN 0.869 nan 8.150 nan 0.000 0.448 313 H N -0.909 117.712 119.070 -0.748 0.000 2.457 313 H HA -0.089 4.458 4.556 -0.014 0.000 0.297 313 H C 1.509 176.256 175.328 -0.969 0.000 1.092 313 H CA 1.351 56.402 56.048 -1.662 0.000 1.309 313 H CB -0.569 28.243 29.762 -1.584 0.000 1.382 313 H HN 0.643 nan 8.280 nan 0.000 0.535 314 E N 0.686 120.297 120.200 -0.982 0.000 2.187 314 E HA -0.216 4.126 4.350 -0.014 0.000 0.199 314 E C 2.009 178.433 176.600 -0.295 0.000 1.004 314 E CA 1.095 57.181 56.400 -0.524 0.000 0.813 314 E CB -0.186 29.207 29.700 -0.512 0.000 0.736 314 E HN 0.707 nan 8.360 nan 0.000 0.468 315 H N -0.929 118.015 119.070 -0.211 0.000 2.457 315 H HA -0.143 4.404 4.556 -0.014 0.000 0.297 315 H C 1.593 177.035 175.328 0.191 0.000 1.092 315 H CA 1.034 57.080 56.048 -0.004 0.000 1.309 315 H CB -0.149 29.634 29.762 0.035 0.000 1.382 315 H HN 0.399 nan 8.280 nan 0.000 0.535 316 W N 0.464 121.875 121.300 0.185 0.000 2.525 316 W HA 0.089 4.741 4.660 -0.014 0.000 0.259 316 W C 1.664 178.262 176.519 0.131 0.000 1.253 316 W CA 1.009 58.459 57.345 0.176 0.000 1.262 316 W CB -0.931 28.646 29.460 0.195 0.000 1.122 316 W HN 0.329 nan 8.180 nan 0.000 0.607 317 G N 0.646 109.619 108.800 0.288 0.000 2.203 317 G HA2 -0.310 3.642 3.960 -0.014 0.000 0.263 317 G HA3 -0.310 3.642 3.960 -0.014 0.000 0.263 317 G C 0.043 175.048 174.900 0.175 0.000 1.012 317 G CA 0.145 45.355 45.100 0.182 0.000 0.749 317 G HN 0.211 nan 8.290 nan 0.000 0.512 318 L N -0.347 121.015 121.223 0.230 0.000 2.343 318 L HA 0.426 4.758 4.340 -0.014 0.000 0.275 318 L C 0.956 177.909 176.870 0.138 0.000 1.056 318 L CA -1.034 53.918 54.840 0.187 0.000 0.804 318 L CB 0.949 43.151 42.059 0.238 0.000 1.203 318 L HN -0.104 nan 8.230 nan 0.000 0.440 319 D N 0.375 120.833 120.400 0.096 0.000 2.277 319 D HA -0.074 4.557 4.640 -0.014 0.000 0.208 319 D C 0.243 176.582 176.300 0.064 0.000 0.962 319 D CA 1.233 55.273 54.000 0.068 0.000 0.865 319 D CB 0.230 41.060 40.800 0.049 0.000 0.939 319 D HN 0.479 nan 8.370 nan 0.000 0.510 320 D N -0.324 120.124 120.400 0.081 0.000 2.513 320 D HA 0.103 4.735 4.640 -0.014 0.000 0.295 320 D C -1.920 174.450 176.300 0.116 0.000 1.202 320 D CA -1.652 52.392 54.000 0.073 0.000 0.849 320 D CB 1.283 42.120 40.800 0.061 0.000 1.116 320 D HN -0.107 nan 8.370 nan 0.000 0.502 321 P HA 0.151 nan 4.420 nan 0.000 0.225 321 P C 0.015 177.523 177.300 0.347 0.000 1.156 321 P CA 0.513 63.779 63.100 0.276 0.000 0.787 321 P CB 0.590 32.377 31.700 0.146 0.000 0.802 322 A N -0.936 121.980 122.820 0.160 0.000 2.544 322 A HA 0.382 4.694 4.320 -0.014 0.000 0.291 322 A C -0.360 177.212 177.584 -0.021 0.000 1.055 322 A CA -0.460 51.680 52.037 0.172 0.000 0.651 322 A CB -0.109 18.863 19.000 -0.046 0.000 1.296 322 A HN -0.205 nan 8.150 nan 0.000 0.431 323 D N -0.865 119.457 120.400 -0.130 0.000 2.394 323 D HA 0.272 4.904 4.640 -0.014 0.000 0.226 323 D C 0.144 176.142 176.300 -0.503 0.000 0.990 323 D CA 1.367 55.144 54.000 -0.371 0.000 0.902 323 D CB 0.826 41.231 40.800 -0.659 0.000 1.038 323 D HN 0.318 nan 8.370 nan 0.000 0.499 324 V N 1.419 121.065 119.914 -0.446 0.000 2.760 324 V HA 0.421 4.533 4.120 -0.014 0.000 0.309 324 V C -0.628 175.313 176.094 -0.255 0.000 1.077 324 V CA -0.697 61.409 62.300 -0.323 0.000 0.910 324 V CB 2.964 34.497 31.823 -0.483 0.000 1.008 324 V HN -0.010 nan 8.190 nan 0.000 0.424 325 M N 4.305 123.839 119.600 -0.110 0.000 2.204 325 M HA 0.528 5.000 4.480 -0.014 0.000 0.293 325 M C -0.423 175.887 176.300 0.017 0.000 0.994 325 M CA -0.216 55.003 55.300 -0.135 0.000 0.925 325 M CB 2.085 34.523 32.600 -0.271 0.000 1.577 325 M HN 0.951 nan 8.290 nan 0.000 0.439 326 T N 1.781 116.301 114.554 -0.056 0.000 2.928 326 T HA 0.808 5.150 4.350 -0.014 0.000 0.284 326 T C -0.580 174.151 174.700 0.052 0.000 1.008 326 T CA -0.519 61.536 62.100 -0.074 0.000 1.057 326 T CB 1.190 69.959 68.868 -0.166 0.000 1.018 326 T HN 0.541 nan 8.240 nan 0.000 0.493 327 F N -1.182 118.825 119.950 0.096 0.000 2.685 327 F HA 0.916 5.435 4.527 -0.014 0.000 0.315 327 F C -0.264 175.623 175.800 0.145 0.000 1.126 327 F CA -1.074 57.034 58.000 0.180 0.000 0.950 327 F CB 1.407 40.617 39.000 0.351 0.000 1.360 327 F HN 0.915 nan 8.300 nan 0.000 0.469 328 S N -0.408 115.571 115.700 0.465 0.000 2.928 328 S HA 0.438 4.899 4.470 -0.014 0.000 0.297 328 S C -0.532 174.204 174.600 0.225 0.000 1.251 328 S CA -0.003 58.375 58.200 0.297 0.000 1.189 328 S CB 0.068 63.329 63.200 0.101 0.000 1.392 328 S HN 1.064 nan 8.310 nan 0.000 0.485 329 K N 0.212 120.679 120.400 0.112 0.000 4.777 329 K HA -0.309 4.003 4.320 -0.014 0.000 0.247 329 K C 1.175 177.787 176.600 0.020 0.000 0.718 329 K CA 1.723 58.033 56.287 0.039 0.000 0.778 329 K CB -1.541 30.971 32.500 0.022 0.000 0.780 329 K HN 0.509 nan 8.250 nan 0.000 0.811 330 K N 0.547 120.945 120.400 -0.004 0.000 2.160 330 K HA -0.033 4.279 4.320 -0.014 0.000 0.206 330 K C 1.882 178.466 176.600 -0.027 0.000 1.047 330 K CA 2.083 58.336 56.287 -0.057 0.000 0.930 330 K CB -0.010 32.417 32.500 -0.121 0.000 0.720 330 K HN 0.253 nan 8.250 nan 0.000 0.450 331 M N 0.092 119.725 119.600 0.055 0.000 2.686 331 M HA 0.008 4.480 4.480 -0.014 0.000 0.246 331 M C 0.633 176.986 176.300 0.087 0.000 1.096 331 M CA 0.872 56.224 55.300 0.086 0.000 1.076 331 M CB -0.434 32.274 32.600 0.180 0.000 1.504 331 M HN 0.228 nan 8.290 nan 0.000 0.524 332 M N -2.641 116.997 119.600 0.064 0.000 2.836 332 M HA -0.227 4.245 4.480 -0.014 0.000 0.158 332 M C 0.785 177.126 176.300 0.068 0.000 0.682 332 M CA 2.022 57.347 55.300 0.041 0.000 0.605 332 M CB -2.261 30.350 32.600 0.019 0.000 2.208 332 M HN 0.407 nan 8.290 nan 0.000 0.264 333 T N 0.805 115.434 114.554 0.127 0.000 2.950 333 T HA 0.709 5.050 4.350 -0.014 0.000 0.288 333 T C 0.433 175.290 174.700 0.262 0.000 1.035 333 T CA 0.195 62.385 62.100 0.150 0.000 1.028 333 T CB 2.019 70.973 68.868 0.143 0.000 1.109 333 T HN 0.509 nan 8.240 nan 0.000 0.514 334 G N -0.169 108.710 108.800 0.131 0.000 2.537 334 G HA2 0.735 4.687 3.960 -0.014 0.000 0.297 334 G HA3 0.735 4.687 3.960 -0.014 0.000 0.297 334 G C 0.209 174.932 174.900 -0.295 0.000 1.310 334 G CA -0.167 44.910 45.100 -0.039 0.000 1.027 334 G HN 1.364 nan 8.290 nan 0.000 0.505 335 G N -2.090 106.220 108.800 -0.817 0.000 2.357 335 G HA2 0.536 4.488 3.960 -0.014 0.000 0.289 335 G HA3 0.536 4.488 3.960 -0.014 0.000 0.289 335 G C -1.254 173.049 174.900 -0.994 0.000 1.302 335 G CA -0.211 44.399 45.100 -0.817 0.000 0.936 335 G HN 1.781 nan 8.290 nan 0.000 0.513 336 F N -1.920 117.676 119.950 -0.589 0.000 2.615 336 F HA 0.799 5.318 4.527 -0.015 0.000 0.312 336 F C -0.953 174.810 175.800 -0.062 0.000 1.119 336 F CA -1.819 55.999 58.000 -0.302 0.000 0.979 336 F CB 0.782 39.636 39.000 -0.244 0.000 1.266 336 F HN 0.460 nan 8.300 nan 0.000 0.444 337 F N 2.079 122.146 119.950 0.197 0.000 2.403 337 F HA 0.640 5.159 4.527 -0.013 0.000 0.320 337 F C 0.526 176.434 175.800 0.181 0.000 1.176 337 F CA 0.431 58.467 58.000 0.060 0.000 1.206 337 F CB 0.828 39.788 39.000 -0.066 0.000 1.235 337 F HN 0.864 nan 8.300 nan 0.000 0.565 338 H N -2.414 116.764 119.070 0.179 0.000 2.935 338 H HA 0.416 4.963 4.556 -0.014 0.000 0.297 338 H C -1.642 173.728 175.328 0.069 0.000 1.423 338 H CA -1.551 54.532 56.048 0.057 0.000 1.161 338 H CB 0.703 30.509 29.762 0.073 0.000 1.841 338 H HN 0.372 nan 8.280 nan 0.000 0.506 339 K N 0.013 120.511 120.400 0.163 0.000 2.258 339 K HA 0.233 4.545 4.320 -0.014 0.000 0.264 339 K C 1.425 178.171 176.600 0.243 0.000 1.007 339 K CA 0.518 56.910 56.287 0.176 0.000 0.941 339 K CB 0.763 33.407 32.500 0.241 0.000 0.966 339 K HN 0.824 nan 8.250 nan 0.000 0.480 340 E N 2.339 122.623 120.200 0.140 0.000 2.114 340 E HA -0.301 4.041 4.350 -0.014 0.000 0.199 340 E C 1.697 178.412 176.600 0.191 0.000 1.008 340 E CA 2.224 58.700 56.400 0.127 0.000 0.810 340 E CB -0.794 28.954 29.700 0.081 0.000 0.739 340 E HN 0.844 nan 8.360 nan 0.000 0.456 341 E N -1.503 118.819 120.200 0.204 0.000 2.333 341 E HA -0.093 4.249 4.350 -0.014 0.000 0.198 341 E C 1.463 178.132 176.600 0.115 0.000 1.007 341 E CA 0.984 57.480 56.400 0.159 0.000 0.845 341 E CB -0.319 29.471 29.700 0.150 0.000 0.766 341 E HN 0.588 nan 8.360 nan 0.000 0.507 342 F N 1.225 121.279 119.950 0.172 0.000 2.776 342 F HA 0.196 4.714 4.527 -0.014 0.000 0.300 342 F C 1.211 177.153 175.800 0.236 0.000 1.116 342 F CA -0.192 57.892 58.000 0.140 0.000 1.375 342 F CB 0.117 39.092 39.000 -0.042 0.000 1.109 342 F HN -0.146 nan 8.300 nan 0.000 0.585 343 R N 2.885 123.637 120.500 0.421 0.000 2.488 343 R HA -0.002 4.330 4.340 -0.014 0.000 0.317 343 R C -2.390 174.058 176.300 0.246 0.000 0.941 343 R CA -1.275 55.037 56.100 0.353 0.000 1.076 343 R CB -0.105 30.335 30.300 0.234 0.000 0.917 343 R HN -0.081 nan 8.270 nan 0.000 0.407 344 P HA -0.096 nan 4.420 nan 0.000 0.263 344 P C -0.084 177.307 177.300 0.152 0.000 1.175 344 P CA 0.172 63.387 63.100 0.191 0.000 0.761 344 P CB 0.474 32.281 31.700 0.178 0.000 0.794 345 N N 2.027 120.811 118.700 0.141 0.000 2.396 345 N HA -0.038 4.694 4.740 -0.014 0.000 0.180 345 N C 0.112 175.679 175.510 0.094 0.000 1.028 345 N CA 0.598 53.707 53.050 0.098 0.000 0.893 345 N CB 0.022 38.550 38.487 0.069 0.000 0.967 345 N HN 0.393 nan 8.380 nan 0.000 0.440 346 A N 0.279 123.174 122.820 0.125 0.000 2.606 346 A HA 0.625 4.937 4.320 -0.014 0.000 0.293 346 A C -2.812 174.838 177.584 0.109 0.000 1.082 346 A CA -1.238 50.872 52.037 0.122 0.000 0.685 346 A CB 1.435 20.534 19.000 0.166 0.000 1.284 346 A HN 0.080 nan 8.150 nan 0.000 0.408 347 P HA 0.346 nan 4.420 nan 0.000 0.277 347 P C -0.453 176.846 177.300 -0.001 0.000 1.276 347 P CA 0.329 63.385 63.100 -0.072 0.000 0.788 347 P CB 0.051 31.602 31.700 -0.249 0.000 1.114 348 Y N -2.873 117.403 120.300 -0.039 0.000 4.604 348 Y HA -0.271 4.276 4.550 -0.006 0.000 0.230 348 Y C 1.814 177.705 175.900 -0.015 0.000 1.066 348 Y CA 0.770 58.763 58.100 -0.179 0.000 1.990 348 Y CB -1.821 36.487 38.460 -0.253 0.000 1.619 348 Y HN 0.362 nan 8.280 nan 0.000 0.649 349 R N -0.275 120.326 120.500 0.168 0.000 2.102 349 R HA 0.240 4.572 4.340 -0.014 0.000 0.208 349 R C 0.216 176.635 176.300 0.198 0.000 1.131 349 R CA 0.313 56.516 56.100 0.172 0.000 1.054 349 R CB 0.523 30.927 30.300 0.172 0.000 0.954 349 R HN -0.008 nan 8.270 nan 0.000 0.465 350 I N 1.911 122.605 120.570 0.207 0.000 2.291 350 I HA 0.304 4.466 4.170 -0.014 0.000 0.290 350 I C -0.749 175.529 176.117 0.269 0.000 1.050 350 I CA -0.186 61.244 61.300 0.217 0.000 1.245 350 I CB 0.325 38.448 38.000 0.206 0.000 1.405 350 I HN 0.049 nan 8.210 nan 0.000 0.478 351 F N 6.583 126.566 119.950 0.055 0.000 2.746 351 F HA 0.456 4.978 4.527 -0.009 0.000 0.311 351 F C -1.369 174.451 175.800 0.033 0.000 1.135 351 F CA -0.636 57.380 58.000 0.026 0.000 0.954 351 F CB 1.504 40.522 39.000 0.030 0.000 1.276 351 F HN 0.626 nan 8.300 nan 0.000 0.440 352 N N 0.155 118.614 118.700 -0.400 0.000 3.179 352 N HA 0.320 5.052 4.740 -0.014 0.000 0.250 352 N C -0.635 174.589 175.510 -0.477 0.000 1.507 352 N CA -0.154 52.778 53.050 -0.196 0.000 0.883 352 N CB 1.071 39.507 38.487 -0.085 0.000 1.435 352 N HN 0.338 nan 8.380 nan 0.000 0.532 353 T N -0.939 113.441 114.554 -0.291 0.000 2.614 353 T HA -0.073 4.269 4.350 -0.014 0.000 0.263 353 T C 0.377 174.876 174.700 -0.335 0.000 1.055 353 T CA 1.678 63.548 62.100 -0.382 0.000 1.162 353 T CB -0.274 68.182 68.868 -0.687 0.000 0.863 353 T HN 0.495 nan 8.240 nan 0.000 0.414 354 W N 0.373 121.584 121.300 -0.149 0.000 2.762 354 W HA 0.470 5.124 4.660 -0.011 0.000 0.265 354 W C 0.742 177.160 176.519 -0.169 0.000 1.263 354 W CA -0.560 56.704 57.345 -0.135 0.000 1.411 354 W CB -1.008 28.405 29.460 -0.078 0.000 1.065 354 W HN 0.146 nan 8.180 nan 0.000 0.609 355 L N 0.844 122.078 121.223 0.018 0.000 3.829 355 L HA -0.262 4.070 4.340 -0.014 0.000 0.440 355 L C 0.882 177.760 176.870 0.014 0.000 1.192 355 L CA 1.169 55.975 54.840 -0.056 0.000 0.848 355 L CB -1.704 40.243 42.059 -0.186 0.000 1.744 355 L HN 0.256 nan 8.230 nan 0.000 0.920 356 G N -0.975 107.864 108.800 0.065 0.000 2.378 356 G HA2 0.118 4.070 3.960 -0.014 0.000 0.198 356 G HA3 0.118 4.070 3.960 -0.014 0.000 0.198 356 G C -1.211 173.708 174.900 0.032 0.000 1.223 356 G CA -0.021 45.112 45.100 0.056 0.000 1.088 356 G HN 0.400 nan 8.290 nan 0.000 0.530 357 D N -0.523 119.887 120.400 0.016 0.000 2.301 357 D HA 0.444 5.076 4.640 -0.014 0.000 0.203 357 D C -1.958 174.322 176.300 -0.033 0.000 1.300 357 D CA -0.770 53.197 54.000 -0.055 0.000 0.899 357 D CB 1.573 42.304 40.800 -0.115 0.000 1.597 357 D HN 0.057 nan 8.370 nan 0.000 0.538 358 P HA -0.158 nan 4.420 nan 0.000 0.218 358 P C 1.478 178.699 177.300 -0.131 0.000 1.146 358 P CA 1.474 64.565 63.100 -0.014 0.000 0.813 358 P CB 0.244 31.937 31.700 -0.011 0.000 0.778 359 S N -0.619 114.956 115.700 -0.209 0.000 2.370 359 S HA -0.190 4.272 4.470 -0.014 0.000 0.226 359 S C 1.889 176.387 174.600 -0.170 0.000 1.033 359 S CA 1.161 59.151 58.200 -0.351 0.000 1.011 359 S CB -0.863 62.150 63.200 -0.312 0.000 0.852 359 S HN -0.022 nan 8.310 nan 0.000 0.457 360 K N 2.167 122.521 120.400 -0.076 0.000 2.057 360 K HA 0.111 4.422 4.320 -0.014 0.000 0.206 360 K C 1.929 178.511 176.600 -0.030 0.000 1.050 360 K CA 1.267 57.540 56.287 -0.024 0.000 0.935 360 K CB -1.164 31.336 32.500 -0.000 0.000 0.715 360 K HN 0.437 nan 8.250 nan 0.000 0.439 361 N N 1.202 119.879 118.700 -0.039 0.000 2.166 361 N HA -0.148 4.584 4.740 -0.014 0.000 0.186 361 N C 1.684 177.152 175.510 -0.071 0.000 1.019 361 N CA 0.611 53.630 53.050 -0.051 0.000 0.856 361 N CB -0.426 38.026 38.487 -0.058 0.000 0.993 361 N HN 0.054 nan 8.380 nan 0.000 0.426 362 L N 0.965 122.131 121.223 -0.095 0.000 1.989 362 L HA -0.085 4.247 4.340 -0.014 0.000 0.211 362 L C 1.907 178.746 176.870 -0.052 0.000 1.071 362 L CA 1.484 56.265 54.840 -0.098 0.000 0.749 362 L CB -0.651 41.301 42.059 -0.180 0.000 0.890 362 L HN 0.129 nan 8.230 nan 0.000 0.431 363 L N -1.382 119.823 121.223 -0.030 0.000 2.017 363 L HA -0.203 4.129 4.340 -0.014 0.000 0.208 363 L C 2.533 179.385 176.870 -0.029 0.000 1.073 363 L CA 1.178 56.018 54.840 0.000 0.000 0.745 363 L CB -0.837 41.242 42.059 0.033 0.000 0.894 363 L HN 0.372 nan 8.230 nan 0.000 0.432 364 L N 0.601 121.805 121.223 -0.032 0.000 2.012 364 L HA -0.195 4.137 4.340 -0.014 0.000 0.210 364 L C 2.669 179.508 176.870 -0.052 0.000 1.073 364 L CA 2.074 56.893 54.840 -0.036 0.000 0.748 364 L CB -0.745 41.299 42.059 -0.025 0.000 0.891 364 L HN 0.158 nan 8.230 nan 0.000 0.431 365 A N -0.825 121.958 122.820 -0.061 0.000 1.948 365 A HA -0.287 4.025 4.320 -0.014 0.000 0.220 365 A C 2.257 179.802 177.584 -0.065 0.000 1.177 365 A CA 1.970 53.965 52.037 -0.070 0.000 0.636 365 A CB -0.738 18.219 19.000 -0.072 0.000 0.815 365 A HN 0.616 nan 8.150 nan 0.000 0.449 366 E N -0.277 119.887 120.200 -0.060 0.000 2.072 366 E HA -0.071 4.271 4.350 -0.014 0.000 0.190 366 E C 1.823 178.364 176.600 -0.099 0.000 0.982 366 E CA 1.287 57.647 56.400 -0.067 0.000 0.803 366 E CB -0.441 29.226 29.700 -0.054 0.000 0.755 366 E HN 0.204 nan 8.360 nan 0.000 0.453 367 V N 1.359 121.209 119.914 -0.107 0.000 2.252 367 V HA -0.306 3.805 4.120 -0.014 0.000 0.249 367 V C 2.422 178.468 176.094 -0.080 0.000 1.056 367 V CA 1.921 64.145 62.300 -0.127 0.000 1.022 367 V CB -0.505 31.261 31.823 -0.096 0.000 0.641 367 V HN 0.380 nan 8.190 nan 0.000 0.445 368 I N 0.252 120.792 120.570 -0.050 0.000 2.208 368 I HA -0.293 3.868 4.170 -0.014 0.000 0.245 368 I C 2.487 178.571 176.117 -0.055 0.000 1.097 368 I CA 2.086 63.365 61.300 -0.036 0.000 1.363 368 I CB -1.013 36.932 38.000 -0.091 0.000 1.051 368 I HN 0.547 nan 8.210 nan 0.000 0.413 369 N N 1.465 120.125 118.700 -0.065 0.000 2.069 369 N HA -0.198 4.533 4.740 -0.014 0.000 0.191 369 N C 1.945 177.429 175.510 -0.043 0.000 1.031 369 N CA 1.304 54.320 53.050 -0.055 0.000 0.852 369 N CB 0.170 38.627 38.487 -0.050 0.000 1.018 369 N HN 0.131 nan 8.380 nan 0.000 0.423 370 I N 2.009 122.545 120.570 -0.057 0.000 2.163 370 I HA -0.261 3.901 4.170 -0.014 0.000 0.243 370 I C 2.435 178.540 176.117 -0.020 0.000 1.085 370 I CA 0.972 62.246 61.300 -0.043 0.000 1.347 370 I CB -1.117 36.808 38.000 -0.125 0.000 1.044 370 I HN 0.223 nan 8.210 nan 0.000 0.408 371 I N 0.416 120.970 120.570 -0.027 0.000 2.248 371 I HA -0.339 3.823 4.170 -0.014 0.000 0.248 371 I C 2.445 178.562 176.117 -0.001 0.000 1.107 371 I CA 1.519 62.816 61.300 -0.004 0.000 1.373 371 I CB -0.280 37.740 38.000 0.033 0.000 1.055 371 I HN 0.192 nan 8.210 nan 0.000 0.418 372 K N 0.485 120.876 120.400 -0.015 0.000 2.021 372 K HA -0.046 4.266 4.320 -0.014 0.000 0.205 372 K C 2.581 179.172 176.600 -0.015 0.000 1.047 372 K CA 1.531 57.803 56.287 -0.024 0.000 0.943 372 K CB -0.499 31.973 32.500 -0.047 0.000 0.725 372 K HN 0.164 nan 8.250 nan 0.000 0.439 373 R N 1.620 122.112 120.500 -0.012 0.000 2.105 373 R HA -0.094 4.238 4.340 -0.014 0.000 0.239 373 R C 1.732 178.037 176.300 0.008 0.000 1.135 373 R CA 1.903 58.002 56.100 -0.003 0.000 0.967 373 R CB -1.070 29.231 30.300 0.002 0.000 0.861 373 R HN 0.183 nan 8.270 nan 0.000 0.442 374 E N -0.028 120.181 120.200 0.016 0.000 2.465 374 E HA 0.039 4.381 4.350 -0.014 0.000 0.191 374 E C -0.385 176.227 176.600 0.021 0.000 1.053 374 E CA 0.350 56.767 56.400 0.027 0.000 0.869 374 E CB 0.031 29.759 29.700 0.047 0.000 0.977 374 E HN 0.597 nan 8.360 nan 0.000 0.483 375 D N 0.236 120.642 120.400 0.010 0.000 2.708 375 D HA -0.205 4.427 4.640 -0.014 0.000 0.236 375 D C 0.649 176.957 176.300 0.013 0.000 1.146 375 D CA 0.226 54.230 54.000 0.006 0.000 0.662 375 D CB -1.226 39.577 40.800 0.005 0.000 1.059 375 D HN 0.236 nan 8.370 nan 0.000 0.428 376 L N -0.385 120.844 121.223 0.010 0.000 2.217 376 L HA -0.097 4.235 4.340 -0.014 0.000 0.211 376 L C 2.507 179.376 176.870 -0.002 0.000 1.107 376 L CA 0.525 55.370 54.840 0.009 0.000 0.783 376 L CB -0.321 41.735 42.059 -0.004 0.000 0.919 376 L HN 0.345 nan 8.230 nan 0.000 0.442 377 L N -0.983 120.233 121.223 -0.013 0.000 2.017 377 L HA -0.201 4.130 4.340 -0.014 0.000 0.208 377 L C 2.734 179.609 176.870 0.007 0.000 1.073 377 L CA 1.188 56.013 54.840 -0.026 0.000 0.745 377 L CB -0.612 41.428 42.059 -0.032 0.000 0.894 377 L HN 0.175 nan 8.230 nan 0.000 0.432 378 S N -0.029 115.682 115.700 0.018 0.000 2.368 378 S HA -0.203 4.259 4.470 -0.014 0.000 0.225 378 S C 1.737 176.383 174.600 0.076 0.000 1.030 378 S CA 1.777 60.000 58.200 0.039 0.000 0.999 378 S CB -0.397 62.816 63.200 0.021 0.000 0.844 378 S HN 0.444 nan 8.310 nan 0.000 0.459 379 N N 1.720 120.463 118.700 0.071 0.000 2.104 379 N HA -0.111 4.621 4.740 -0.014 0.000 0.190 379 N C 1.617 177.203 175.510 0.127 0.000 1.024 379 N CA 1.580 54.698 53.050 0.113 0.000 0.853 379 N CB -0.444 38.093 38.487 0.084 0.000 1.008 379 N HN 0.327 nan 8.380 nan 0.000 0.424 380 A N 0.422 123.292 122.820 0.084 0.000 1.865 380 A HA -0.035 4.277 4.320 -0.014 0.000 0.217 380 A C 2.413 180.050 177.584 0.089 0.000 1.191 380 A CA 2.147 54.231 52.037 0.079 0.000 0.623 380 A CB -1.501 17.516 19.000 0.028 0.000 0.826 380 A HN 0.482 nan 8.150 nan 0.000 0.444 381 A N -0.860 122.016 122.820 0.092 0.000 1.892 381 A HA -0.249 4.063 4.320 -0.014 0.000 0.218 381 A C 2.094 179.754 177.584 0.126 0.000 1.188 381 A CA 2.453 54.552 52.037 0.104 0.000 0.631 381 A CB -0.949 18.115 19.000 0.107 0.000 0.822 381 A HN 0.820 nan 8.150 nan 0.000 0.447 382 H N -0.219 118.875 119.070 0.040 0.000 2.299 382 H HA 0.136 4.684 4.556 -0.014 0.000 0.302 382 H C 2.153 177.499 175.328 0.030 0.000 1.078 382 H CA 2.019 58.086 56.048 0.032 0.000 1.323 382 H CB -0.511 29.265 29.762 0.024 0.000 1.381 382 H HN 0.347 nan 8.280 nan 0.000 0.498 383 A N 0.146 122.902 122.820 -0.106 0.000 2.019 383 A HA -0.040 4.272 4.320 -0.014 0.000 0.219 383 A C 2.636 180.205 177.584 -0.026 0.000 1.164 383 A CA 1.444 53.386 52.037 -0.158 0.000 0.644 383 A CB -1.366 17.650 19.000 0.027 0.000 0.805 383 A HN 0.637 nan 8.150 nan 0.000 0.449 384 G N -0.195 108.615 108.800 0.017 0.000 2.433 384 G HA2 -0.233 3.719 3.960 -0.014 0.000 0.216 384 G HA3 -0.233 3.719 3.960 -0.014 0.000 0.216 384 G C 1.660 176.538 174.900 -0.038 0.000 1.186 384 G CA 1.070 46.171 45.100 0.002 0.000 0.779 384 G HN 0.546 nan 8.290 nan 0.000 0.543 385 K N -0.150 120.229 120.400 -0.034 0.000 2.034 385 K HA -0.110 4.202 4.320 -0.014 0.000 0.214 385 K C 2.613 179.172 176.600 -0.069 0.000 1.051 385 K CA 1.448 57.716 56.287 -0.031 0.000 0.931 385 K CB -0.510 31.995 32.500 0.010 0.000 0.715 385 K HN 0.191 nan 8.250 nan 0.000 0.446 386 V N 1.633 121.450 119.914 -0.162 0.000 2.282 386 V HA -0.276 3.836 4.120 -0.014 0.000 0.249 386 V C 2.241 178.277 176.094 -0.096 0.000 1.057 386 V CA 1.786 63.986 62.300 -0.167 0.000 1.032 386 V CB -0.463 31.146 31.823 -0.356 0.000 0.645 386 V HN 0.298 nan 8.190 nan 0.000 0.447 387 L N -0.312 120.859 121.223 -0.088 0.000 1.989 387 L HA -0.172 4.160 4.340 -0.014 0.000 0.211 387 L C 2.219 179.033 176.870 -0.093 0.000 1.071 387 L CA 2.125 56.923 54.840 -0.070 0.000 0.749 387 L CB -0.747 41.240 42.059 -0.120 0.000 0.890 387 L HN 0.300 nan 8.230 nan 0.000 0.431 388 L N -1.153 120.017 121.223 -0.089 0.000 2.131 388 L HA -0.160 4.172 4.340 -0.014 0.000 0.210 388 L C 2.260 179.119 176.870 -0.018 0.000 1.092 388 L CA 2.156 56.960 54.840 -0.060 0.000 0.759 388 L CB -0.770 41.270 42.059 -0.030 0.000 0.903 388 L HN 0.352 nan 8.230 nan 0.000 0.435 389 T N -0.832 113.718 114.554 -0.007 0.000 2.701 389 T HA -0.086 4.255 4.350 -0.014 0.000 0.263 389 T C 1.675 176.392 174.700 0.028 0.000 1.040 389 T CA 1.251 63.363 62.100 0.019 0.000 1.147 389 T CB -0.735 68.150 68.868 0.028 0.000 0.865 389 T HN 0.579 nan 8.240 nan 0.000 0.426 390 G N 1.398 110.216 108.800 0.031 0.000 2.446 390 G HA2 -0.174 3.778 3.960 -0.014 0.000 0.217 390 G HA3 -0.174 3.778 3.960 -0.014 0.000 0.217 390 G C 1.524 176.442 174.900 0.029 0.000 1.168 390 G CA 0.672 45.800 45.100 0.048 0.000 0.771 390 G HN 0.436 nan 8.290 nan 0.000 0.551 391 L N -0.134 121.090 121.223 0.002 0.000 1.990 391 L HA -0.103 4.228 4.340 -0.014 0.000 0.213 391 L C 2.972 179.837 176.870 -0.009 0.000 1.072 391 L CA 0.866 55.691 54.840 -0.025 0.000 0.755 391 L CB -0.484 41.558 42.059 -0.028 0.000 0.889 391 L HN 0.192 nan 8.230 nan 0.000 0.432 392 L N -0.341 120.890 121.223 0.013 0.000 2.042 392 L HA -0.283 4.049 4.340 -0.014 0.000 0.210 392 L C 2.291 179.186 176.870 0.041 0.000 1.076 392 L CA 1.642 56.501 54.840 0.031 0.000 0.749 392 L CB -0.603 41.480 42.059 0.040 0.000 0.893 392 L HN 0.368 nan 8.230 nan 0.000 0.432 393 D N 0.197 120.624 120.400 0.045 0.000 2.097 393 D HA -0.195 4.437 4.640 -0.014 0.000 0.195 393 D C 2.269 178.618 176.300 0.082 0.000 0.989 393 D CA 1.301 55.334 54.000 0.056 0.000 0.827 393 D CB -0.046 40.788 40.800 0.058 0.000 0.966 393 D HN 0.202 nan 8.370 nan 0.000 0.456 394 L N -0.029 121.253 121.223 0.098 0.000 2.079 394 L HA -0.185 4.146 4.340 -0.014 0.000 0.210 394 L C 2.756 179.741 176.870 0.191 0.000 1.081 394 L CA 1.333 56.282 54.840 0.183 0.000 0.752 394 L CB -0.669 41.464 42.059 0.123 0.000 0.896 394 L HN 0.263 nan 8.230 nan 0.000 0.433 395 Q N 0.074 119.922 119.800 0.081 0.000 2.135 395 Q HA -0.239 4.093 4.340 -0.014 0.000 0.204 395 Q C 2.273 178.321 176.000 0.079 0.000 0.981 395 Q CA 1.856 57.703 55.803 0.073 0.000 0.856 395 Q CB -0.036 28.728 28.738 0.043 0.000 0.902 395 Q HN 0.533 nan 8.270 nan 0.000 0.425 396 A N 0.603 123.459 122.820 0.059 0.000 1.873 396 A HA -0.149 4.163 4.320 -0.014 0.000 0.215 396 A C 2.013 179.587 177.584 -0.016 0.000 1.186 396 A CA 1.445 53.497 52.037 0.026 0.000 0.616 396 A CB -0.337 18.675 19.000 0.021 0.000 0.823 396 A HN 0.315 nan 8.150 nan 0.000 0.442 397 R N -2.435 118.051 120.500 -0.023 0.000 2.189 397 R HA 0.017 4.348 4.340 -0.014 0.000 0.218 397 R C -0.428 175.585 176.300 -0.479 0.000 1.074 397 R CA 0.870 56.831 56.100 -0.231 0.000 0.991 397 R CB -0.073 30.104 30.300 -0.204 0.000 0.883 397 R HN 0.619 nan 8.270 nan 0.000 0.457 398 Y N -0.838 119.490 120.300 0.047 0.000 2.512 398 Y HA 0.247 4.789 4.550 -0.014 0.000 0.326 398 Y C -1.870 174.043 175.900 0.022 0.000 1.008 398 Y CA -2.074 56.069 58.100 0.072 0.000 1.139 398 Y CB 1.366 39.962 38.460 0.227 0.000 1.137 398 Y HN -0.032 nan 8.280 nan 0.000 0.630 399 P HA -0.229 nan 4.420 nan 0.000 0.222 399 P C 1.192 178.476 177.300 -0.028 0.000 1.147 399 P CA 1.394 64.512 63.100 0.031 0.000 0.790 399 P CB 0.409 32.108 31.700 -0.000 0.000 0.780 400 Q N -0.676 119.016 119.800 -0.180 0.000 2.364 400 Q HA -0.093 4.239 4.340 -0.014 0.000 0.207 400 Q C 1.369 177.106 176.000 -0.438 0.000 0.970 400 Q CA 1.374 56.940 55.803 -0.394 0.000 0.888 400 Q CB -0.951 27.394 28.738 -0.655 0.000 0.951 400 Q HN 0.346 nan 8.270 nan 0.000 0.469 401 F N -0.060 120.003 119.950 0.187 0.000 2.640 401 F HA 0.320 4.839 4.527 -0.014 0.000 0.285 401 F C 0.723 176.618 175.800 0.159 0.000 1.031 401 F CA -0.728 57.382 58.000 0.183 0.000 1.240 401 F CB 0.767 39.867 39.000 0.166 0.000 1.011 401 F HN -0.123 nan 8.300 nan 0.000 0.656 402 I N 1.457 122.199 120.570 0.287 0.000 2.404 402 I HA 0.408 4.569 4.170 -0.014 0.000 0.293 402 I C -0.021 176.186 176.117 0.150 0.000 0.992 402 I CA -0.682 60.719 61.300 0.168 0.000 1.149 402 I CB 0.963 38.958 38.000 -0.007 0.000 1.315 402 I HN 0.048 nan 8.210 nan 0.000 0.446 403 S N 4.980 120.790 115.700 0.184 0.000 2.607 403 S HA 0.683 5.145 4.470 -0.014 0.000 0.273 403 S C -0.242 174.423 174.600 0.107 0.000 1.148 403 S CA -0.952 57.328 58.200 0.132 0.000 0.833 403 S CB 2.310 65.582 63.200 0.120 0.000 1.130 403 S HN 0.649 nan 8.310 nan 0.000 0.470 404 R N -0.281 120.241 120.500 0.037 0.000 3.531 404 R HA -0.106 4.226 4.340 -0.014 0.000 0.280 404 R C -0.559 175.549 176.300 -0.320 0.000 1.130 404 R CA 0.551 56.547 56.100 -0.173 0.000 0.757 404 R CB -2.518 27.693 30.300 -0.150 0.000 1.218 404 R HN 0.573 nan 8.270 nan 0.000 0.454 405 V N 1.948 121.796 119.914 -0.110 0.000 2.557 405 V HA 0.021 4.133 4.120 -0.014 0.000 0.301 405 V C 1.140 177.109 176.094 -0.208 0.000 1.026 405 V CA 0.924 63.195 62.300 -0.048 0.000 1.137 405 V CB 0.305 32.142 31.823 0.023 0.000 0.917 405 V HN 0.386 nan 8.190 nan 0.000 0.484 406 R N 3.577 123.970 120.500 -0.178 0.000 2.752 406 R HA 0.884 5.216 4.340 -0.014 0.000 0.271 406 R C -0.330 175.910 176.300 -0.101 0.000 1.026 406 R CA -0.466 55.491 56.100 -0.239 0.000 0.901 406 R CB 2.193 32.160 30.300 -0.556 0.000 1.243 406 R HN 1.014 nan 8.270 nan 0.000 0.463 407 G N 0.324 109.052 108.800 -0.120 0.000 2.336 407 G HA2 0.312 4.264 3.960 -0.014 0.000 0.300 407 G HA3 0.312 4.264 3.960 -0.014 0.000 0.300 407 G C -1.945 173.064 174.900 0.182 0.000 1.375 407 G CA -0.998 44.187 45.100 0.141 0.000 0.885 407 G HN 0.627 nan 8.290 nan 0.000 0.599 408 R N -0.184 120.472 120.500 0.260 0.000 2.522 408 R HA 0.579 4.910 4.340 -0.014 0.000 0.283 408 R C 0.795 177.168 176.300 0.120 0.000 1.074 408 R CA 0.820 56.994 56.100 0.125 0.000 0.925 408 R CB 1.479 31.811 30.300 0.054 0.000 1.205 408 R HN 2.562 nan 8.270 nan 0.000 0.436 409 G N 1.351 110.196 108.800 0.075 0.000 2.566 409 G HA2 -0.414 3.537 3.960 -0.014 0.000 0.280 409 G HA3 -0.414 3.537 3.960 -0.014 0.000 0.280 409 G C 0.651 175.588 174.900 0.062 0.000 1.225 409 G CA 0.519 45.667 45.100 0.080 0.000 0.966 409 G HN 0.765 nan 8.290 nan 0.000 0.560 410 T N -2.337 112.243 114.554 0.043 0.000 3.129 410 T HA 0.355 4.697 4.350 -0.014 0.000 0.251 410 T C 1.159 175.837 174.700 -0.037 0.000 1.117 410 T CA 1.015 63.079 62.100 -0.059 0.000 1.034 410 T CB -0.026 68.743 68.868 -0.166 0.000 0.968 410 T HN 0.666 nan 8.240 nan 0.000 0.526 411 F N 2.806 122.726 119.950 -0.050 0.000 2.662 411 F HA 0.362 4.880 4.527 -0.014 0.000 0.365 411 F C 0.150 175.990 175.800 0.066 0.000 1.222 411 F CA -0.988 57.010 58.000 -0.004 0.000 1.315 411 F CB -0.916 38.086 39.000 0.003 0.000 1.711 411 F HN 0.267 nan 8.300 nan 0.000 0.651 412 C N 0.777 120.111 119.300 0.057 0.000 2.423 412 C HA 0.893 5.345 4.460 -0.014 0.000 0.378 412 C C 0.032 175.127 174.990 0.176 0.000 1.244 412 C CA -0.408 58.662 59.018 0.087 0.000 1.978 412 C CB 1.401 29.062 27.740 -0.132 0.000 2.252 412 C HN 0.716 nan 8.230 nan 0.000 0.526 413 S N -0.020 115.784 115.700 0.174 0.000 2.633 413 S HA 0.788 5.250 4.470 -0.014 0.000 0.271 413 S C -1.216 173.465 174.600 0.135 0.000 1.112 413 S CA -0.763 57.496 58.200 0.099 0.000 0.828 413 S CB 0.769 63.962 63.200 -0.012 0.000 1.086 413 S HN 1.283 nan 8.310 nan 0.000 0.461 414 F N -0.806 119.168 119.950 0.040 0.000 2.685 414 F HA 0.907 5.426 4.527 -0.014 0.000 0.315 414 F C -1.493 174.309 175.800 0.002 0.000 1.126 414 F CA -0.946 57.053 58.000 -0.001 0.000 0.950 414 F CB 0.416 39.443 39.000 0.044 0.000 1.360 414 F HN 0.477 nan 8.300 nan 0.000 0.469 415 D N 0.416 120.962 120.400 0.243 0.000 2.198 415 D HA 0.561 5.193 4.640 -0.014 0.000 0.247 415 D C -0.349 176.123 176.300 0.287 0.000 1.010 415 D CA -0.146 53.945 54.000 0.152 0.000 0.880 415 D CB 2.067 42.925 40.800 0.096 0.000 1.209 415 D HN 0.852 nan 8.370 nan 0.000 0.451 416 T N -2.032 112.645 114.554 0.204 0.000 2.940 416 T HA 0.519 4.861 4.350 -0.014 0.000 0.288 416 T C -2.115 172.691 174.700 0.177 0.000 1.045 416 T CA -1.985 60.261 62.100 0.243 0.000 1.018 416 T CB 1.957 70.962 68.868 0.229 0.000 1.151 416 T HN -0.073 nan 8.240 nan 0.000 0.529 417 P HA 0.060 nan 4.420 nan 0.000 0.215 417 P C -0.136 177.234 177.300 0.116 0.000 1.153 417 P CA 1.334 64.523 63.100 0.149 0.000 0.853 417 P CB -0.053 31.749 31.700 0.170 0.000 0.788 418 D N -3.601 116.872 120.400 0.123 0.000 2.626 418 D HA 0.089 4.721 4.640 -0.014 0.000 0.278 418 D C 0.614 176.957 176.300 0.072 0.000 1.211 418 D CA -0.869 53.183 54.000 0.086 0.000 0.903 418 D CB 0.055 40.903 40.800 0.080 0.000 1.408 418 D HN -0.134 nan 8.370 nan 0.000 0.454 419 E N -0.349 119.879 120.200 0.047 0.000 2.204 419 E HA -0.210 4.131 4.350 -0.014 0.000 0.195 419 E C 1.414 178.032 176.600 0.030 0.000 0.990 419 E CA 1.584 58.000 56.400 0.026 0.000 0.821 419 E CB 0.098 29.807 29.700 0.016 0.000 0.750 419 E HN 0.451 nan 8.360 nan 0.000 0.477 420 S N 0.259 115.989 115.700 0.050 0.000 2.345 420 S HA -0.130 4.331 4.470 -0.014 0.000 0.219 420 S C 2.038 176.686 174.600 0.081 0.000 1.031 420 S CA 0.904 59.138 58.200 0.056 0.000 0.984 420 S CB -0.527 62.709 63.200 0.061 0.000 0.874 420 S HN 0.304 nan 8.310 nan 0.000 0.451 421 I N 1.867 122.513 120.570 0.127 0.000 2.208 421 I HA -0.165 3.996 4.170 -0.014 0.000 0.245 421 I C 3.154 179.311 176.117 0.067 0.000 1.097 421 I CA 1.391 62.799 61.300 0.181 0.000 1.363 421 I CB -0.413 37.753 38.000 0.276 0.000 1.051 421 I HN 0.280 nan 8.210 nan 0.000 0.413 422 R N 1.269 121.799 120.500 0.051 0.000 2.096 422 R HA -0.208 4.123 4.340 -0.014 0.000 0.240 422 R C 1.902 178.172 176.300 -0.049 0.000 1.139 422 R CA 2.037 58.134 56.100 -0.006 0.000 0.952 422 R CB -0.691 29.594 30.300 -0.024 0.000 0.854 422 R HN 0.379 nan 8.270 nan 0.000 0.436 423 N N 0.381 119.061 118.700 -0.032 0.000 2.244 423 N HA -0.119 4.612 4.740 -0.014 0.000 0.183 423 N C 1.768 177.251 175.510 -0.046 0.000 1.016 423 N CA 0.960 53.978 53.050 -0.052 0.000 0.866 423 N CB -0.262 38.206 38.487 -0.032 0.000 0.980 423 N HN 0.065 nan 8.380 nan 0.000 0.430 424 K N 0.867 121.261 120.400 -0.010 0.000 2.057 424 K HA 0.129 4.441 4.320 -0.014 0.000 0.206 424 K C 2.262 178.814 176.600 -0.081 0.000 1.050 424 K CA 0.385 56.676 56.287 0.008 0.000 0.935 424 K CB -0.651 31.930 32.500 0.134 0.000 0.715 424 K HN 0.219 nan 8.250 nan 0.000 0.439 425 L N 0.088 121.204 121.223 -0.178 0.000 2.046 425 L HA -0.105 4.227 4.340 -0.014 0.000 0.208 425 L C 2.451 179.275 176.870 -0.077 0.000 1.077 425 L CA 1.556 56.247 54.840 -0.248 0.000 0.747 425 L CB -0.494 41.441 42.059 -0.206 0.000 0.896 425 L HN 0.244 nan 8.230 nan 0.000 0.432 426 I N -1.122 119.401 120.570 -0.078 0.000 2.226 426 I HA -0.298 3.864 4.170 -0.014 0.000 0.245 426 I C 2.833 178.901 176.117 -0.082 0.000 1.100 426 I CA 1.285 62.528 61.300 -0.096 0.000 1.374 426 I CB -0.318 37.580 38.000 -0.171 0.000 1.057 426 I HN 0.218 nan 8.210 nan 0.000 0.413 427 S N 1.082 116.733 115.700 -0.082 0.000 2.356 427 S HA -0.141 4.320 4.470 -0.014 0.000 0.223 427 S C 2.077 176.647 174.600 -0.050 0.000 1.032 427 S CA 1.166 59.325 58.200 -0.067 0.000 1.005 427 S CB -0.111 63.059 63.200 -0.051 0.000 0.867 427 S HN 0.229 nan 8.310 nan 0.000 0.449 428 I N 2.018 122.558 120.570 -0.051 0.000 2.163 428 I HA -0.168 3.994 4.170 -0.014 0.000 0.243 428 I C 2.831 178.930 176.117 -0.030 0.000 1.085 428 I CA 1.571 62.842 61.300 -0.050 0.000 1.347 428 I CB -1.871 36.074 38.000 -0.092 0.000 1.044 428 I HN 0.365 nan 8.210 nan 0.000 0.408 429 A N 0.685 123.507 122.820 0.002 0.000 1.933 429 A HA -0.221 4.091 4.320 -0.014 0.000 0.218 429 A C 2.556 180.173 177.584 0.055 0.000 1.175 429 A CA 1.484 53.572 52.037 0.086 0.000 0.628 429 A CB -0.662 18.464 19.000 0.209 0.000 0.814 429 A HN 0.324 nan 8.150 nan 0.000 0.444 430 R N -0.142 120.361 120.500 0.005 0.000 2.073 430 R HA -0.147 4.185 4.340 -0.014 0.000 0.234 430 R C 1.463 177.732 176.300 -0.051 0.000 1.134 430 R CA 1.699 57.784 56.100 -0.024 0.000 0.952 430 R CB -0.365 29.905 30.300 -0.050 0.000 0.850 430 R HN 0.516 nan 8.270 nan 0.000 0.433 431 N N 0.685 119.355 118.700 -0.050 0.000 2.364 431 N HA -0.113 4.618 4.740 -0.014 0.000 0.183 431 N C 1.091 176.583 175.510 -0.030 0.000 1.022 431 N CA 0.870 53.888 53.050 -0.053 0.000 0.883 431 N CB 0.036 38.496 38.487 -0.045 0.000 0.965 431 N HN 0.126 nan 8.380 nan 0.000 0.438 432 K N -0.374 120.024 120.400 -0.004 0.000 2.393 432 K HA 0.159 4.471 4.320 -0.014 0.000 0.193 432 K C 0.886 177.516 176.600 0.050 0.000 1.026 432 K CA 0.220 56.517 56.287 0.018 0.000 1.064 432 K CB 0.443 32.957 32.500 0.024 0.000 0.833 432 K HN 0.266 nan 8.250 nan 0.000 0.521 433 G N 0.484 109.313 108.800 0.048 0.000 2.143 433 G HA2 -0.172 3.780 3.960 -0.014 0.000 0.175 433 G HA3 -0.172 3.780 3.960 -0.014 0.000 0.175 433 G C -0.323 174.654 174.900 0.129 0.000 1.004 433 G CA -0.175 44.972 45.100 0.078 0.000 0.671 433 G HN 0.045 nan 8.290 nan 0.000 0.512 434 V N 1.533 121.525 119.914 0.131 0.000 2.588 434 V HA 0.702 4.814 4.120 -0.014 0.000 0.304 434 V C 0.290 176.434 176.094 0.083 0.000 1.042 434 V CA -0.646 61.749 62.300 0.157 0.000 0.877 434 V CB 1.854 33.859 31.823 0.305 0.000 0.996 434 V HN 0.319 nan 8.190 nan 0.000 0.425 435 M N 6.018 125.648 119.600 0.050 0.000 2.129 435 M HA 0.603 5.075 4.480 -0.014 0.000 0.348 435 M C -1.003 175.221 176.300 -0.127 0.000 1.116 435 M CA -0.141 55.170 55.300 0.017 0.000 1.022 435 M CB 1.154 33.836 32.600 0.136 0.000 1.599 435 M HN 0.407 nan 8.290 nan 0.000 0.449 436 L N 1.425 122.494 121.223 -0.257 0.000 2.303 436 L HA 0.949 5.281 4.340 -0.014 0.000 0.266 436 L C 0.431 176.885 176.870 -0.694 0.000 1.011 436 L CA -0.979 53.549 54.840 -0.520 0.000 0.818 436 L CB 1.976 43.698 42.059 -0.562 0.000 1.326 436 L HN 0.746 nan 8.230 nan 0.000 0.435 437 G N -0.812 107.445 108.800 -0.906 0.000 2.454 437 G HA2 0.667 4.619 3.960 -0.014 0.000 0.329 437 G HA3 0.667 4.619 3.960 -0.014 0.000 0.329 437 G C -0.839 173.650 174.900 -0.686 0.000 1.177 437 G CA -0.518 43.855 45.100 -1.213 0.000 0.951 437 G HN 0.751 nan 8.290 nan 0.000 0.485 438 G N -1.720 106.778 108.800 -0.505 0.000 2.489 438 G HA2 0.669 4.620 3.960 -0.014 0.000 0.327 438 G HA3 0.669 4.620 3.960 -0.014 0.000 0.327 438 G C -0.443 174.327 174.900 -0.215 0.000 1.189 438 G CA -0.151 44.754 45.100 -0.326 0.000 0.962 438 G HN 1.586 nan 8.290 nan 0.000 0.486 439 C N -1.520 117.679 119.300 -0.168 0.000 3.285 439 C HA 0.970 5.422 4.460 -0.014 0.000 0.325 439 C C 0.972 175.922 174.990 -0.067 0.000 1.304 439 C CA 0.068 59.026 59.018 -0.099 0.000 1.319 439 C CB 1.088 28.770 27.740 -0.095 0.000 1.640 439 C HN 2.581 nan 8.230 nan 0.000 0.477 440 G N 1.770 110.554 108.800 -0.027 0.000 2.598 440 G HA2 -0.164 3.788 3.960 -0.014 0.000 0.269 440 G HA3 -0.164 3.788 3.960 -0.014 0.000 0.269 440 G C 0.171 175.061 174.900 -0.017 0.000 1.289 440 G CA 0.840 45.936 45.100 -0.007 0.000 0.926 440 G HN 1.022 nan 8.290 nan 0.000 0.567 441 D N 0.770 121.166 120.400 -0.006 0.000 2.091 441 D HA -0.040 4.592 4.640 -0.014 0.000 0.199 441 D C 1.827 178.119 176.300 -0.013 0.000 0.980 441 D CA 1.704 55.701 54.000 -0.005 0.000 0.831 441 D CB -0.021 40.785 40.800 0.010 0.000 0.987 441 D HN 0.724 nan 8.370 nan 0.000 0.460 442 K N 0.249 120.642 120.400 -0.012 0.000 2.706 442 K HA 0.344 4.656 4.320 -0.014 0.000 0.203 442 K C -0.310 176.265 176.600 -0.040 0.000 1.102 442 K CA -0.334 55.949 56.287 -0.008 0.000 1.058 442 K CB 0.973 33.493 32.500 0.033 0.000 0.779 442 K HN -0.208 nan 8.250 nan 0.000 0.483 443 S N 1.360 117.003 115.700 -0.095 0.000 2.549 443 S HA 0.523 4.985 4.470 -0.014 0.000 0.297 443 S C -0.205 174.199 174.600 -0.326 0.000 1.115 443 S CA -0.722 57.367 58.200 -0.185 0.000 1.059 443 S CB 1.372 64.489 63.200 -0.138 0.000 1.046 443 S HN 0.219 nan 8.310 nan 0.000 0.506 444 I N 3.011 123.224 120.570 -0.595 0.000 2.460 444 I HA 0.520 4.682 4.170 -0.014 0.000 0.298 444 I C 0.262 175.925 176.117 -0.756 0.000 0.989 444 I CA -0.638 60.204 61.300 -0.763 0.000 1.173 444 I CB 1.250 38.633 38.000 -1.029 0.000 1.338 444 I HN 0.569 nan 8.210 nan 0.000 0.456 445 R N 5.027 125.116 120.500 -0.685 0.000 2.795 445 R HA 0.606 4.938 4.340 -0.014 0.000 0.275 445 R C -2.151 173.718 176.300 -0.719 0.000 0.981 445 R CA -0.573 55.224 56.100 -0.505 0.000 0.917 445 R CB 1.759 31.857 30.300 -0.337 0.000 1.202 445 R HN 0.269 nan 8.270 nan 0.000 0.469 446 F N 1.245 120.954 119.950 -0.402 0.000 2.482 446 F HA 0.548 5.066 4.527 -0.014 0.000 0.331 446 F C 0.370 175.896 175.800 -0.457 0.000 1.115 446 F CA -0.910 56.831 58.000 -0.431 0.000 0.955 446 F CB 1.924 40.645 39.000 -0.466 0.000 1.136 446 F HN 0.308 nan 8.300 nan 0.000 0.452 447 R N 2.644 123.002 120.500 -0.237 0.000 2.653 447 R HA 0.291 4.623 4.340 -0.014 0.000 0.269 447 R C -3.070 173.069 176.300 -0.269 0.000 1.603 447 R CA -1.783 54.146 56.100 -0.286 0.000 1.671 447 R CB 0.811 30.951 30.300 -0.268 0.000 1.300 447 R HN 0.282 nan 8.270 nan 0.000 0.668 448 P HA 0.036 nan 4.420 nan 0.000 0.275 448 P C 0.550 177.698 177.300 -0.253 0.000 1.228 448 P CA 0.009 62.858 63.100 -0.419 0.000 0.786 448 P CB 0.695 31.807 31.700 -0.979 0.000 0.927 449 T N -0.035 114.409 114.554 -0.184 0.000 2.748 449 T HA 0.096 4.438 4.350 -0.014 0.000 0.304 449 T C 1.251 175.905 174.700 -0.077 0.000 1.041 449 T CA -0.253 61.757 62.100 -0.151 0.000 1.033 449 T CB -0.165 68.598 68.868 -0.175 0.000 0.995 449 T HN 0.194 nan 8.240 nan 0.000 0.536 450 L N 1.547 122.725 121.223 -0.076 0.000 2.622 450 L HA 0.093 4.425 4.340 -0.014 0.000 0.233 450 L C 2.022 178.901 176.870 0.014 0.000 1.156 450 L CA 0.096 54.916 54.840 -0.034 0.000 0.866 450 L CB -0.452 41.563 42.059 -0.073 0.000 0.980 450 L HN 0.747 nan 8.230 nan 0.000 0.448 451 V N -4.554 115.367 119.914 0.012 0.000 3.421 451 V HA 0.097 4.209 4.120 -0.014 0.000 0.316 451 V C 0.544 176.618 176.094 -0.033 0.000 1.347 451 V CA -0.480 61.834 62.300 0.023 0.000 1.183 451 V CB -1.044 30.807 31.823 0.047 0.000 1.092 451 V HN 0.161 nan 8.190 nan 0.000 0.433 452 F N 3.834 123.669 119.950 -0.191 0.000 2.512 452 F HA 0.437 4.956 4.527 -0.014 0.000 0.350 452 F C 0.994 176.745 175.800 -0.083 0.000 1.212 452 F CA -0.693 57.146 58.000 -0.269 0.000 1.099 452 F CB 0.113 38.985 39.000 -0.213 0.000 1.238 452 F HN 0.108 nan 8.300 nan 0.000 0.600 453 R N 3.692 124.032 120.500 -0.266 0.000 2.649 453 R HA 0.062 4.394 4.340 -0.014 0.000 0.270 453 R C 1.130 177.072 176.300 -0.597 0.000 1.105 453 R CA 0.181 56.118 56.100 -0.270 0.000 1.193 453 R CB 0.346 30.487 30.300 -0.266 0.000 1.120 453 R HN 0.686 nan 8.270 nan 0.000 0.561 454 D N -0.333 119.843 120.400 -0.372 0.000 2.310 454 D HA -0.185 4.446 4.640 -0.014 0.000 0.212 454 D C 1.547 177.592 176.300 -0.425 0.000 0.965 454 D CA 1.359 55.097 54.000 -0.437 0.000 0.879 454 D CB -0.376 40.202 40.800 -0.369 0.000 0.921 454 D HN 0.745 nan 8.370 nan 0.000 0.510 455 H N -0.655 118.265 119.070 -0.249 0.000 2.462 455 H HA -0.034 4.513 4.556 -0.014 0.000 0.292 455 H C 0.969 176.147 175.328 -0.250 0.000 1.049 455 H CA 1.128 57.081 56.048 -0.160 0.000 1.334 455 H CB -0.469 29.203 29.762 -0.150 0.000 1.404 455 H HN 0.299 nan 8.280 nan 0.000 0.544 456 H N 1.292 120.062 119.070 -0.500 0.000 2.395 456 H HA 0.153 4.701 4.556 -0.014 0.000 0.299 456 H C 2.582 177.797 175.328 -0.188 0.000 1.070 456 H CA 1.253 57.108 56.048 -0.323 0.000 1.356 456 H CB 0.018 29.407 29.762 -0.622 0.000 1.401 456 H HN 0.540 nan 8.280 nan 0.000 0.524 457 A N 1.028 123.637 122.820 -0.351 0.000 1.940 457 A HA -0.236 4.076 4.320 -0.014 0.000 0.219 457 A C 1.718 179.349 177.584 0.078 0.000 1.176 457 A CA 1.780 53.831 52.037 0.024 0.000 0.631 457 A CB -0.444 18.463 19.000 -0.155 0.000 0.814 457 A HN 0.452 nan 8.150 nan 0.000 0.446 458 H N -0.899 118.220 119.070 0.083 0.000 2.333 458 H HA -0.023 4.525 4.556 -0.014 0.000 0.302 458 H C 2.144 177.542 175.328 0.116 0.000 1.075 458 H CA 1.440 57.538 56.048 0.083 0.000 1.348 458 H CB -0.756 29.037 29.762 0.052 0.000 1.393 458 H HN 0.447 nan 8.280 nan 0.000 0.509 459 L N 0.359 121.747 121.223 0.275 0.000 2.043 459 L HA -0.237 4.094 4.340 -0.014 0.000 0.212 459 L C 2.506 179.541 176.870 0.275 0.000 1.075 459 L CA 1.444 56.436 54.840 0.252 0.000 0.752 459 L CB -0.372 41.858 42.059 0.286 0.000 0.891 459 L HN 0.107 nan 8.230 nan 0.000 0.432 460 F N -0.058 120.020 119.950 0.213 0.000 2.113 460 F HA -0.211 4.308 4.527 -0.014 0.000 0.297 460 F C 1.996 177.927 175.800 0.217 0.000 1.103 460 F CA 1.725 59.860 58.000 0.225 0.000 1.248 460 F CB -0.478 38.674 39.000 0.253 0.000 0.999 460 F HN -0.051 nan 8.300 nan 0.000 0.475 461 L N 0.482 121.642 121.223 -0.105 0.000 2.127 461 L HA -0.250 4.082 4.340 -0.014 0.000 0.211 461 L C 1.994 178.803 176.870 -0.102 0.000 1.089 461 L CA 1.265 55.982 54.840 -0.205 0.000 0.757 461 L CB -0.774 41.314 42.059 0.048 0.000 0.899 461 L HN 0.218 nan 8.230 nan 0.000 0.434 462 N N -0.335 118.361 118.700 -0.006 0.000 2.376 462 N HA -0.003 4.729 4.740 -0.014 0.000 0.177 462 N C 1.853 177.357 175.510 -0.009 0.000 1.024 462 N CA 0.946 54.003 53.050 0.011 0.000 0.893 462 N CB 0.086 38.600 38.487 0.045 0.000 0.980 462 N HN 0.314 nan 8.380 nan 0.000 0.439 463 I N -0.290 120.276 120.570 -0.007 0.000 2.206 463 I HA -0.181 3.981 4.170 -0.014 0.000 0.239 463 I C 1.895 177.980 176.117 -0.053 0.000 1.078 463 I CA 0.779 62.081 61.300 0.004 0.000 1.367 463 I CB -0.177 37.873 38.000 0.084 0.000 1.078 463 I HN -0.054 nan 8.210 nan 0.000 0.413 464 F N 0.978 120.741 119.950 -0.312 0.000 2.269 464 F HA -0.244 4.275 4.527 -0.014 0.000 0.301 464 F C 2.797 178.416 175.800 -0.302 0.000 1.082 464 F CA 1.552 59.334 58.000 -0.362 0.000 1.360 464 F CB -0.183 38.381 39.000 -0.727 0.000 1.041 464 F HN 0.006 nan 8.300 nan 0.000 0.512 465 S N -0.069 115.556 115.700 -0.126 0.000 2.359 465 S HA -0.244 4.217 4.470 -0.014 0.000 0.224 465 S C 1.898 176.398 174.600 -0.167 0.000 1.035 465 S CA 2.090 60.223 58.200 -0.112 0.000 1.018 465 S CB -0.574 62.619 63.200 -0.012 0.000 0.876 465 S HN 0.454 nan 8.310 nan 0.000 0.448 466 D N 0.746 121.068 120.400 -0.130 0.000 2.224 466 D HA 0.081 4.713 4.640 -0.014 0.000 0.205 466 D C 1.824 178.019 176.300 -0.174 0.000 0.965 466 D CA 0.616 54.553 54.000 -0.104 0.000 0.852 466 D CB -0.265 40.501 40.800 -0.057 0.000 0.947 466 D HN 0.478 nan 8.370 nan 0.000 0.494 467 I N 0.097 120.492 120.570 -0.293 0.000 2.286 467 I HA -0.251 3.911 4.170 -0.014 0.000 0.248 467 I C 2.068 177.909 176.117 -0.459 0.000 1.115 467 I CA 0.753 61.823 61.300 -0.383 0.000 1.392 467 I CB -0.114 37.555 38.000 -0.553 0.000 1.065 467 I HN 0.051 nan 8.210 nan 0.000 0.418 468 L N 0.430 121.269 121.223 -0.640 0.000 2.072 468 L HA -0.117 4.214 4.340 -0.014 0.000 0.205 468 L C 2.815 179.482 176.870 -0.338 0.000 1.079 468 L CA 1.184 55.566 54.840 -0.764 0.000 0.752 468 L CB -0.647 40.581 42.059 -1.386 0.000 0.906 468 L HN 0.177 nan 8.230 nan 0.000 0.436 469 A N -0.267 122.485 122.820 -0.113 0.000 1.972 469 A HA -0.201 4.111 4.320 -0.014 0.000 0.219 469 A C 1.751 179.385 177.584 0.083 0.000 1.169 469 A CA 1.931 54.053 52.037 0.141 0.000 0.635 469 A CB -0.375 18.698 19.000 0.122 0.000 0.810 469 A HN 0.365 nan 8.150 nan 0.000 0.446 470 D N -2.040 118.362 120.400 0.003 0.000 2.346 470 D HA 0.162 4.794 4.640 -0.014 0.000 0.206 470 D C 0.511 176.824 176.300 0.022 0.000 1.001 470 D CA -0.016 53.988 54.000 0.006 0.000 0.871 470 D CB -0.069 40.717 40.800 -0.022 0.000 0.943 470 D HN 0.399 nan 8.370 nan 0.000 0.518 471 F N 0.000 119.837 119.950 -0.188 0.000 2.286 471 F HA 0.000 4.519 4.527 -0.014 0.000 0.279 471 F CA 0.000 57.845 58.000 -0.258 0.000 1.383 471 F CB 0.000 38.660 39.000 -0.566 0.000 1.145 471 F HN 0.000 nan 8.300 nan 0.000 0.574