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 1w07_1_B DATA FIRST_RESID 2 DATA SEQUENCE EGIDHLADER NKAEFDVEDM KIVWAGSRHA FEVSDRIARL VASDPVFEKS DATA SEQUENCE NRARLSRKEL FKSTLRKCAH AFKRIIELRL NEEEAGRLRH FIDQPAYVDL DATA SEQUENCE HWGMFVPAIK GQGTEEQQKK WLSLANKMQI IGCYAQTELG HGSNVQGLET DATA SEQUENCE TATLDPKTDE FVIHTPTQTA SKWWPGGLGK VSTHAVVYAR LITNGKDYGI DATA SEQUENCE HGFIVQLRSL EDHSPLPNIT VGDIGTKMGN GAYNSMDNGF LMFDHVRIPR DATA SEQUENCE DQMLMRLSKV TREGEYVPSD VPKQLVYGTM VYVRQTIVAD ASNALSRAVC DATA SEQUENCE IATRYSAVRR QFGAHNGGIE TQVIDYKTQQ NRLFPLLASA YAFRFVGEWL DATA SEQUENCE KWLYTDVTER LAASDFATLP EAHACTAGLK SLTTTATADG IEECRKLCGG DATA SEQUENCE HGYLWCSGLP ELFAVYVPAC TYEGDNVVLQ LQVARFLMKT VAQLGSGKVP DATA SEQUENCE VGTTAYMGRA AHLLQcRSGV QKAEDWLNPD VVLEAFEARA LRMAVTCAKN DATA SEQUENCE LSKFENQEQG FQELLADLVE AAIAHCQLIV VSKFIAKLEQ DIGGKGVKKQ DATA SEQUENCE LNNLCYIYAL YLLHKHLGDF LSTNcITPKQ ASLANDQLRS LYTQVRPNAV DATA SEQUENCE ALVDAFNYTD HYLNSVLGRY DGNVYPKLFE EALKDPLNDS VVPDGYQEYL DATA SEQUENCE RPVLQQQL 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.642 176.600 0.070 0.000 1.382 2 E CA 0.000 56.441 56.400 0.068 0.000 0.976 2 E CB 0.000 29.731 29.700 0.052 0.000 0.812 3 G N 1.050 109.886 108.800 0.059 0.000 4.110 3 G HA2 0.321 4.280 3.960 -0.001 0.000 0.292 3 G HA3 0.321 4.280 3.960 -0.001 0.000 0.292 3 G C -0.164 174.764 174.900 0.046 0.000 1.020 3 G CA -0.203 44.932 45.100 0.057 0.000 0.808 3 G HN -0.008 nan 8.290 nan 0.000 0.474 4 I N 1.268 121.855 120.570 0.029 0.000 2.472 4 I HA 0.253 4.422 4.170 -0.001 0.000 0.290 4 I C -0.711 175.376 176.117 -0.049 0.000 1.016 4 I CA -0.990 60.273 61.300 -0.063 0.000 1.348 4 I CB 1.566 39.449 38.000 -0.195 0.000 1.417 4 I HN -0.030 nan 8.210 nan 0.000 0.521 5 D N 4.681 125.039 120.400 -0.071 0.000 2.467 5 D HA 0.175 4.815 4.640 -0.001 0.000 0.220 5 D C 0.894 177.134 176.300 -0.100 0.000 1.103 5 D CA -0.269 53.722 54.000 -0.015 0.000 0.886 5 D CB 0.313 41.120 40.800 0.011 0.000 1.025 5 D HN 0.336 nan 8.370 nan 0.000 0.514 6 H N 2.250 121.294 119.070 -0.042 0.000 2.545 6 H HA 0.082 4.638 4.556 -0.001 0.000 0.282 6 H C 1.190 176.470 175.328 -0.079 0.000 1.020 6 H CA 0.795 56.812 56.048 -0.053 0.000 1.243 6 H CB 0.253 29.984 29.762 -0.052 0.000 1.377 6 H HN 0.383 nan 8.280 nan 0.000 0.581 7 L N -0.387 120.829 121.223 -0.012 0.000 2.769 7 L HA 0.298 4.638 4.340 -0.001 0.000 0.240 7 L C 2.048 178.858 176.870 -0.099 0.000 1.163 7 L CA -0.005 54.788 54.840 -0.079 0.000 0.962 7 L CB 0.129 42.101 42.059 -0.146 0.000 1.258 7 L HN 0.274 nan 8.230 nan 0.000 0.513 8 A N 0.406 123.177 122.820 -0.082 0.000 1.892 8 A HA -0.247 4.072 4.320 -0.001 0.000 0.218 8 A C 1.874 179.418 177.584 -0.066 0.000 1.188 8 A CA 2.123 54.116 52.037 -0.073 0.000 0.631 8 A CB -0.285 18.679 19.000 -0.061 0.000 0.822 8 A HN 0.372 nan 8.150 nan 0.000 0.447 9 D N -0.430 119.935 120.400 -0.058 0.000 2.117 9 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 9 D C 1.887 178.154 176.300 -0.055 0.000 0.987 9 D CA 1.156 55.126 54.000 -0.051 0.000 0.829 9 D CB -0.311 40.464 40.800 -0.042 0.000 0.961 9 D HN 0.416 nan 8.370 nan 0.000 0.460 10 E N 0.938 121.101 120.200 -0.063 0.000 2.085 10 E HA -0.130 4.220 4.350 -0.001 0.000 0.194 10 E C 2.170 178.724 176.600 -0.076 0.000 0.994 10 E CA 0.630 56.992 56.400 -0.064 0.000 0.801 10 E CB -0.180 29.478 29.700 -0.070 0.000 0.743 10 E HN 0.377 nan 8.360 nan 0.000 0.453 11 R N 0.608 121.051 120.500 -0.095 0.000 2.148 11 R HA -0.023 4.317 4.340 -0.001 0.000 0.227 11 R C 1.642 177.879 176.300 -0.106 0.000 1.103 11 R CA 0.686 56.719 56.100 -0.111 0.000 0.983 11 R CB -0.155 30.077 30.300 -0.114 0.000 0.874 11 R HN 0.095 nan 8.270 nan 0.000 0.451 12 N N 0.869 119.521 118.700 -0.080 0.000 2.463 12 N HA -0.044 4.696 4.740 -0.001 0.000 0.181 12 N C 0.976 176.447 175.510 -0.065 0.000 1.078 12 N CA 0.798 53.805 53.050 -0.071 0.000 0.902 12 N CB 0.209 38.664 38.487 -0.053 0.000 0.970 12 N HN 0.240 nan 8.380 nan 0.000 0.451 13 K N 0.568 120.932 120.400 -0.060 0.000 2.418 13 K HA 0.177 4.497 4.320 -0.001 0.000 0.195 13 K C 0.566 177.143 176.600 -0.040 0.000 1.035 13 K CA -0.097 56.166 56.287 -0.040 0.000 1.003 13 K CB 0.223 32.707 32.500 -0.027 0.000 0.793 13 K HN 0.050 nan 8.250 nan 0.000 0.494 14 A N 2.102 124.871 122.820 -0.085 0.000 2.565 14 A HA -0.087 4.233 4.320 -0.001 0.000 0.237 14 A C 0.065 177.604 177.584 -0.075 0.000 1.053 14 A CA 0.398 52.360 52.037 -0.124 0.000 0.755 14 A CB 0.007 18.778 19.000 -0.381 0.000 0.980 14 A HN 0.304 nan 8.150 nan 0.000 0.506 15 E N 0.722 120.968 120.200 0.076 0.000 2.496 15 E HA 0.350 4.700 4.350 -0.001 0.000 0.202 15 E C -0.891 175.831 176.600 0.202 0.000 1.021 15 E CA 0.024 56.484 56.400 0.101 0.000 1.015 15 E CB 0.033 29.795 29.700 0.104 0.000 1.102 15 E HN 0.659 nan 8.360 nan 0.000 0.452 16 F N -2.327 117.601 119.950 -0.037 0.000 2.693 16 F HA 0.436 4.962 4.527 -0.001 0.000 0.309 16 F C -1.377 174.406 175.800 -0.029 0.000 1.129 16 F CA -1.519 56.463 58.000 -0.030 0.000 0.948 16 F CB 1.165 40.144 39.000 -0.034 0.000 1.315 16 F HN -0.355 nan 8.300 nan 0.000 0.447 17 D N 2.511 122.853 120.400 -0.097 0.000 2.336 17 D HA 0.109 4.749 4.640 -0.001 0.000 0.249 17 D C 1.095 177.295 176.300 -0.166 0.000 1.213 17 D CA 0.143 54.035 54.000 -0.182 0.000 0.870 17 D CB 2.089 42.858 40.800 -0.053 0.000 1.076 17 D HN 0.608 nan 8.370 nan 0.000 0.483 18 V N 3.904 123.595 119.914 -0.371 0.000 2.392 18 V HA -0.250 3.869 4.120 -0.001 0.000 0.249 18 V C 1.826 177.902 176.094 -0.030 0.000 1.059 18 V CA 1.790 63.982 62.300 -0.181 0.000 1.051 18 V CB -0.000 31.689 31.823 -0.223 0.000 0.658 18 V HN 0.428 nan 8.190 nan 0.000 0.455 19 E N -0.079 120.081 120.200 -0.066 0.000 2.160 19 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 19 E C 1.987 178.524 176.600 -0.104 0.000 0.991 19 E CA 1.647 57.997 56.400 -0.084 0.000 0.810 19 E CB -0.446 29.214 29.700 -0.068 0.000 0.742 19 E HN 0.723 nan 8.360 nan 0.000 0.466 20 D N -0.049 120.337 120.400 -0.022 0.000 2.162 20 D HA -0.088 4.552 4.640 -0.001 0.000 0.203 20 D C 1.919 178.260 176.300 0.069 0.000 0.967 20 D CA 0.567 54.573 54.000 0.010 0.000 0.840 20 D CB -0.045 40.787 40.800 0.053 0.000 0.972 20 D HN 0.106 nan 8.370 nan 0.000 0.482 21 M N 1.423 121.121 119.600 0.164 0.000 2.229 21 M HA -0.095 4.384 4.480 -0.001 0.000 0.264 21 M C 1.705 178.126 176.300 0.202 0.000 1.063 21 M CA 1.362 56.811 55.300 0.247 0.000 1.114 21 M CB -0.041 32.803 32.600 0.406 0.000 1.387 21 M HN -0.222 nan 8.290 nan 0.000 0.420 22 K N -0.333 120.105 120.400 0.064 0.000 2.097 22 K HA -0.121 4.199 4.320 -0.001 0.000 0.206 22 K C 1.726 178.307 176.600 -0.033 0.000 1.049 22 K CA 1.207 57.495 56.287 0.000 0.000 0.933 22 K CB -0.305 32.053 32.500 -0.236 0.000 0.717 22 K HN 0.325 nan 8.250 nan 0.000 0.442 23 I N 0.769 121.249 120.570 -0.150 0.000 2.315 23 I HA -0.189 3.980 4.170 -0.001 0.000 0.248 23 I C 2.290 178.470 176.117 0.105 0.000 1.117 23 I CA 1.114 62.370 61.300 -0.073 0.000 1.404 23 I CB -1.006 36.944 38.000 -0.084 0.000 1.071 23 I HN -0.085 nan 8.210 nan 0.000 0.419 24 V N 0.460 120.475 119.914 0.169 0.000 2.295 24 V HA -0.295 3.824 4.120 -0.001 0.000 0.246 24 V C 2.338 178.615 176.094 0.305 0.000 1.049 24 V CA 1.879 64.333 62.300 0.256 0.000 1.024 24 V CB -0.709 31.322 31.823 0.346 0.000 0.648 24 V HN 0.572 nan 8.190 nan 0.000 0.447 25 W N 0.865 122.243 121.300 0.130 0.000 2.358 25 W HA -0.198 4.461 4.660 -0.001 0.000 0.303 25 W C 2.391 178.940 176.519 0.049 0.000 1.208 25 W CA 1.918 59.283 57.345 0.033 0.000 1.274 25 W CB -0.143 29.332 29.460 0.025 0.000 1.138 25 W HN 0.305 nan 8.180 nan 0.000 0.515 26 A N 0.227 123.164 122.820 0.195 0.000 2.015 26 A HA 0.117 4.436 4.320 -0.001 0.000 0.219 26 A C 1.965 179.572 177.584 0.039 0.000 1.163 26 A CA 2.549 54.668 52.037 0.136 0.000 0.646 26 A CB -1.064 18.139 19.000 0.339 0.000 0.806 26 A HN 0.721 nan 8.150 nan 0.000 0.448 27 G N -1.848 106.991 108.800 0.065 0.000 2.279 27 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.223 27 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.223 27 G C 0.439 175.394 174.900 0.091 0.000 1.015 27 G CA 0.729 45.865 45.100 0.060 0.000 0.621 27 G HN 2.138 nan 8.290 nan 0.000 0.506 28 S N -1.842 113.929 115.700 0.120 0.000 2.636 28 S HA 0.644 5.114 4.470 -0.001 0.000 0.266 28 S C 0.530 175.236 174.600 0.177 0.000 1.147 28 S CA 0.114 58.394 58.200 0.132 0.000 0.815 28 S CB 0.919 64.204 63.200 0.141 0.000 1.119 28 S HN 0.304 nan 8.310 nan 0.000 0.470 29 R N -0.296 120.307 120.500 0.173 0.000 2.115 29 R HA -0.008 4.331 4.340 -0.001 0.000 0.226 29 R C 2.027 178.480 176.300 0.254 0.000 1.100 29 R CA 1.572 57.801 56.100 0.215 0.000 0.980 29 R CB -0.680 29.715 30.300 0.158 0.000 0.875 29 R HN 0.840 nan 8.270 nan 0.000 0.445 30 H N 1.233 120.378 119.070 0.125 0.000 2.326 30 H HA 0.028 4.584 4.556 -0.001 0.000 0.301 30 H C 1.948 177.331 175.328 0.092 0.000 1.081 30 H CA 1.834 57.937 56.048 0.092 0.000 1.334 30 H CB -0.109 29.689 29.762 0.061 0.000 1.385 30 H HN 0.165 nan 8.280 nan 0.000 0.504 31 A N 0.319 123.161 122.820 0.036 0.000 1.883 31 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 31 A C 2.409 179.999 177.584 0.010 0.000 1.186 31 A CA 1.592 53.611 52.037 -0.029 0.000 0.624 31 A CB -1.381 17.658 19.000 0.066 0.000 0.822 31 A HN 0.589 nan 8.150 nan 0.000 0.444 32 F N 1.015 120.963 119.950 -0.004 0.000 2.095 32 F HA -0.182 4.345 4.527 -0.001 0.000 0.298 32 F C 2.175 177.973 175.800 -0.002 0.000 1.104 32 F CA 2.280 60.298 58.000 0.030 0.000 1.232 32 F CB -0.393 38.644 39.000 0.061 0.000 0.987 32 F HN 0.383 nan 8.300 nan 0.000 0.475 33 E N -0.161 119.962 120.200 -0.129 0.000 2.051 33 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 33 E C 2.321 178.761 176.600 -0.266 0.000 0.991 33 E CA 1.692 57.955 56.400 -0.228 0.000 0.799 33 E CB -0.408 29.279 29.700 -0.021 0.000 0.748 33 E HN 0.326 nan 8.360 nan 0.000 0.449 34 V N 0.760 120.519 119.914 -0.258 0.000 2.427 34 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 34 V C 2.395 178.398 176.094 -0.152 0.000 1.051 34 V CA 1.847 64.016 62.300 -0.219 0.000 1.048 34 V CB -0.375 31.270 31.823 -0.297 0.000 0.666 34 V HN 0.233 nan 8.190 nan 0.000 0.456 35 S N -0.230 115.387 115.700 -0.138 0.000 2.368 35 S HA -0.238 4.232 4.470 -0.001 0.000 0.224 35 S C 1.860 176.341 174.600 -0.198 0.000 1.029 35 S CA 1.868 60.070 58.200 0.003 0.000 0.988 35 S CB -0.368 62.897 63.200 0.109 0.000 0.838 35 S HN 0.743 nan 8.310 nan 0.000 0.462 36 D N 0.654 120.820 120.400 -0.390 0.000 2.117 36 D HA -0.115 4.525 4.640 -0.001 0.000 0.197 36 D C 2.272 178.367 176.300 -0.341 0.000 0.987 36 D CA 1.131 54.855 54.000 -0.461 0.000 0.829 36 D CB -0.178 40.185 40.800 -0.728 0.000 0.961 36 D HN 0.317 nan 8.370 nan 0.000 0.460 37 R N 0.049 120.388 120.500 -0.268 0.000 2.062 37 R HA -0.097 4.242 4.340 -0.001 0.000 0.231 37 R C 2.145 178.341 176.300 -0.173 0.000 1.136 37 R CA 1.182 57.172 56.100 -0.184 0.000 0.948 37 R CB -0.239 29.983 30.300 -0.131 0.000 0.845 37 R HN 0.245 nan 8.270 nan 0.000 0.430 38 I N 1.190 121.668 120.570 -0.154 0.000 2.286 38 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 38 I C 2.570 178.532 176.117 -0.259 0.000 1.115 38 I CA 1.302 62.541 61.300 -0.102 0.000 1.392 38 I CB -1.575 36.448 38.000 0.038 0.000 1.065 38 I HN 0.251 nan 8.210 nan 0.000 0.418 39 A N 1.152 123.597 122.820 -0.624 0.000 1.883 39 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 39 A C 2.494 179.784 177.584 -0.489 0.000 1.186 39 A CA 1.682 53.065 52.037 -1.090 0.000 0.624 39 A CB -0.600 17.570 19.000 -1.383 0.000 0.822 39 A HN 0.316 nan 8.150 nan 0.000 0.444 40 R N -1.208 119.095 120.500 -0.329 0.000 2.092 40 R HA -0.032 4.307 4.340 -0.001 0.000 0.231 40 R C 2.058 178.273 176.300 -0.141 0.000 1.119 40 R CA 1.187 57.167 56.100 -0.199 0.000 0.970 40 R CB -0.477 29.729 30.300 -0.157 0.000 0.864 40 R HN 0.489 nan 8.270 nan 0.000 0.440 41 L N 0.334 121.487 121.223 -0.117 0.000 2.083 41 L HA -0.139 4.201 4.340 -0.001 0.000 0.209 41 L C 1.872 178.756 176.870 0.023 0.000 1.083 41 L CA 1.594 56.412 54.840 -0.037 0.000 0.752 41 L CB -0.149 41.904 42.059 -0.011 0.000 0.899 41 L HN -0.060 nan 8.230 nan 0.000 0.433 42 V N -0.298 119.615 119.914 -0.001 0.000 2.323 42 V HA -0.182 3.937 4.120 -0.001 0.000 0.244 42 V C 2.751 178.778 176.094 -0.113 0.000 1.041 42 V CA 1.400 63.764 62.300 0.107 0.000 1.025 42 V CB -1.155 30.669 31.823 0.001 0.000 0.656 42 V HN 0.568 nan 8.190 nan 0.000 0.451 43 A N 0.881 123.502 122.820 -0.332 0.000 1.940 43 A HA -0.210 4.109 4.320 -0.001 0.000 0.219 43 A C 2.433 179.855 177.584 -0.270 0.000 1.176 43 A CA 2.281 53.978 52.037 -0.566 0.000 0.631 43 A CB -0.675 18.180 19.000 -0.241 0.000 0.814 43 A HN 0.693 nan 8.150 nan 0.000 0.446 44 S N -0.949 114.673 115.700 -0.131 0.000 2.562 44 S HA 0.002 4.471 4.470 -0.001 0.000 0.221 44 S C 0.423 174.992 174.600 -0.052 0.000 0.975 44 S CA 0.368 58.528 58.200 -0.067 0.000 0.918 44 S CB -0.206 62.964 63.200 -0.050 0.000 0.772 44 S HN 0.454 nan 8.310 nan 0.000 0.531 45 D N 2.611 122.983 120.400 -0.047 0.000 2.313 45 D HA 0.335 4.974 4.640 -0.001 0.000 0.239 45 D C -1.870 174.352 176.300 -0.130 0.000 1.142 45 D CA -2.285 51.655 54.000 -0.100 0.000 0.847 45 D CB 1.782 42.486 40.800 -0.161 0.000 1.082 45 D HN -0.023 nan 8.370 nan 0.000 0.480 46 P HA -0.146 nan 4.420 nan 0.000 0.217 46 P C 1.513 178.719 177.300 -0.158 0.000 1.148 46 P CA 0.527 63.563 63.100 -0.106 0.000 0.828 46 P CB 0.400 32.034 31.700 -0.109 0.000 0.783 47 V N -1.539 118.149 119.914 -0.376 0.000 2.594 47 V HA -0.179 3.940 4.120 -0.001 0.000 0.253 47 V C 1.634 177.614 176.094 -0.190 0.000 1.069 47 V CA 1.499 63.521 62.300 -0.463 0.000 1.082 47 V CB -1.288 29.912 31.823 -1.038 0.000 0.680 47 V HN 0.134 nan 8.190 nan 0.000 0.469 48 F N -0.031 119.916 119.950 -0.005 0.000 2.663 48 F HA 0.230 4.756 4.527 -0.001 0.000 0.299 48 F C 1.199 177.138 175.800 0.232 0.000 1.143 48 F CA -0.401 57.656 58.000 0.094 0.000 1.387 48 F CB 0.123 39.180 39.000 0.094 0.000 1.019 48 F HN 0.180 nan 8.300 nan 0.000 0.523 49 E N 3.161 123.540 120.200 0.298 0.000 2.413 49 E HA -0.032 4.317 4.350 -0.001 0.000 0.263 49 E C 0.743 177.438 176.600 0.160 0.000 1.015 49 E CA 0.132 56.677 56.400 0.241 0.000 0.916 49 E CB 0.633 30.404 29.700 0.119 0.000 0.947 49 E HN 0.310 nan 8.360 nan 0.000 0.440 50 K N 2.093 122.538 120.400 0.075 0.000 2.582 50 K HA 0.034 4.353 4.320 -0.001 0.000 0.204 50 K C 0.627 177.291 176.600 0.107 0.000 1.221 50 K CA 0.353 56.676 56.287 0.060 0.000 1.048 50 K CB 0.110 32.620 32.500 0.018 0.000 1.011 50 K HN 0.367 nan 8.250 nan 0.000 0.597 51 S N 1.432 117.184 115.700 0.087 0.000 2.561 51 S HA -0.073 4.396 4.470 -0.001 0.000 0.225 51 S C 1.234 175.954 174.600 0.200 0.000 0.977 51 S CA 0.675 58.984 58.200 0.182 0.000 0.926 51 S CB -0.510 62.746 63.200 0.094 0.000 0.769 51 S HN 0.495 nan 8.310 nan 0.000 0.533 52 N N 1.186 119.930 118.700 0.074 0.000 2.236 52 N HA 0.087 4.827 4.740 -0.001 0.000 0.196 52 N C 1.331 176.769 175.510 -0.121 0.000 1.114 52 N CA -0.278 52.751 53.050 -0.034 0.000 0.859 52 N CB -0.450 38.024 38.487 -0.022 0.000 0.982 52 N HN 0.417 nan 8.380 nan 0.000 0.493 53 R N 0.720 121.181 120.500 -0.065 0.000 2.117 53 R HA -0.043 4.297 4.340 -0.001 0.000 0.243 53 R C 1.556 177.672 176.300 -0.307 0.000 1.143 53 R CA 1.695 57.744 56.100 -0.085 0.000 0.968 53 R CB -0.238 30.134 30.300 0.119 0.000 0.863 53 R HN 0.285 nan 8.270 nan 0.000 0.444 54 A N 0.279 122.618 122.820 -0.802 0.000 2.206 54 A HA -0.014 4.306 4.320 -0.001 0.000 0.211 54 A C 1.538 178.809 177.584 -0.523 0.000 1.158 54 A CA 0.552 52.018 52.037 -0.951 0.000 0.761 54 A CB -0.078 17.685 19.000 -2.061 0.000 0.801 54 A HN 0.287 nan 8.150 nan 0.000 0.473 55 R N -0.799 119.483 120.500 -0.363 0.000 2.388 55 R HA 0.348 4.687 4.340 -0.001 0.000 0.247 55 R C -0.671 175.545 176.300 -0.140 0.000 0.931 55 R CA -0.094 55.876 56.100 -0.217 0.000 1.082 55 R CB 0.059 30.258 30.300 -0.167 0.000 1.135 55 R HN 0.374 nan 8.270 nan 0.000 0.525 56 L N 0.803 121.946 121.223 -0.133 0.000 2.331 56 L HA 0.314 4.654 4.340 -0.001 0.000 0.275 56 L C 0.703 177.540 176.870 -0.054 0.000 1.022 56 L CA -0.734 54.063 54.840 -0.073 0.000 0.812 56 L CB 1.791 43.820 42.059 -0.049 0.000 1.257 56 L HN 0.042 nan 8.230 nan 0.000 0.435 57 S N 1.017 116.700 115.700 -0.028 0.000 2.624 57 S HA 0.220 4.690 4.470 -0.001 0.000 0.263 57 S C 0.918 175.523 174.600 0.009 0.000 1.287 57 S CA -0.523 57.669 58.200 -0.014 0.000 0.990 57 S CB 1.391 64.587 63.200 -0.007 0.000 0.950 57 S HN 0.667 nan 8.310 nan 0.000 0.561 58 R N 1.225 121.733 120.500 0.014 0.000 2.094 58 R HA -0.112 4.227 4.340 -0.001 0.000 0.239 58 R C 2.129 178.471 176.300 0.070 0.000 1.137 58 R CA 2.241 58.361 56.100 0.035 0.000 0.943 58 R CB -0.791 29.514 30.300 0.008 0.000 0.850 58 R HN 0.821 nan 8.270 nan 0.000 0.433 59 K N 0.027 120.457 120.400 0.051 0.000 2.032 59 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 59 K C 2.118 178.783 176.600 0.108 0.000 1.048 59 K CA 2.182 58.519 56.287 0.083 0.000 0.927 59 K CB -0.172 32.355 32.500 0.045 0.000 0.712 59 K HN 0.389 nan 8.250 nan 0.000 0.441 60 E N 0.685 120.920 120.200 0.059 0.000 2.110 60 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 60 E C 2.004 178.633 176.600 0.048 0.000 0.988 60 E CA 0.820 57.244 56.400 0.040 0.000 0.804 60 E CB -0.086 29.620 29.700 0.011 0.000 0.745 60 E HN 0.123 nan 8.360 nan 0.000 0.458 61 L N 0.261 121.523 121.223 0.065 0.000 2.056 61 L HA -0.111 4.228 4.340 -0.001 0.000 0.207 61 L C 2.053 178.988 176.870 0.107 0.000 1.078 61 L CA 1.445 56.326 54.840 0.068 0.000 0.749 61 L CB -0.354 41.748 42.059 0.071 0.000 0.901 61 L HN 0.032 nan 8.230 nan 0.000 0.433 62 F N 0.510 120.465 119.950 0.008 0.000 2.113 62 F HA -0.167 4.360 4.527 -0.001 0.000 0.297 62 F C 2.559 178.371 175.800 0.020 0.000 1.103 62 F CA 2.076 60.086 58.000 0.017 0.000 1.248 62 F CB -0.314 38.691 39.000 0.008 0.000 0.999 62 F HN 0.104 nan 8.300 nan 0.000 0.475 63 K N -0.439 119.978 120.400 0.027 0.000 2.032 63 K HA -0.205 4.114 4.320 -0.001 0.000 0.209 63 K C 2.480 179.022 176.600 -0.097 0.000 1.048 63 K CA 1.619 57.871 56.287 -0.058 0.000 0.927 63 K CB -0.582 31.930 32.500 0.020 0.000 0.712 63 K HN 0.262 nan 8.250 nan 0.000 0.441 64 S N -0.405 115.264 115.700 -0.052 0.000 2.400 64 S HA -0.133 4.337 4.470 -0.001 0.000 0.232 64 S C 1.698 176.261 174.600 -0.062 0.000 1.025 64 S CA 1.974 60.148 58.200 -0.042 0.000 0.993 64 S CB -0.441 62.751 63.200 -0.013 0.000 0.808 64 S HN 0.499 nan 8.310 nan 0.000 0.478 65 T N 2.674 117.160 114.554 -0.113 0.000 2.777 65 T HA 0.080 4.429 4.350 -0.001 0.000 0.266 65 T C 1.711 176.315 174.700 -0.160 0.000 1.040 65 T CA 1.331 63.349 62.100 -0.136 0.000 1.141 65 T CB -0.319 68.441 68.868 -0.180 0.000 0.868 65 T HN 0.340 nan 8.240 nan 0.000 0.444 66 L N 0.542 121.619 121.223 -0.243 0.000 2.046 66 L HA -0.061 4.278 4.340 -0.001 0.000 0.208 66 L C 2.876 179.703 176.870 -0.073 0.000 1.077 66 L CA 1.301 56.052 54.840 -0.148 0.000 0.747 66 L CB -0.552 41.373 42.059 -0.224 0.000 0.896 66 L HN 0.174 nan 8.230 nan 0.000 0.432 67 R N 0.923 121.381 120.500 -0.071 0.000 2.073 67 R HA -0.185 4.154 4.340 -0.001 0.000 0.234 67 R C 2.326 178.627 176.300 0.002 0.000 1.134 67 R CA 1.590 57.670 56.100 -0.034 0.000 0.952 67 R CB -0.028 30.245 30.300 -0.044 0.000 0.850 67 R HN 0.278 nan 8.270 nan 0.000 0.433 68 K N -0.312 120.102 120.400 0.024 0.000 2.097 68 K HA -0.149 4.170 4.320 -0.001 0.000 0.206 68 K C 2.211 178.858 176.600 0.079 0.000 1.049 68 K CA 1.613 57.999 56.287 0.165 0.000 0.933 68 K CB -0.136 32.473 32.500 0.182 0.000 0.717 68 K HN 0.303 nan 8.250 nan 0.000 0.442 69 C N 0.401 119.618 119.300 -0.138 0.000 2.440 69 C HA -0.030 4.430 4.460 -0.001 0.000 0.278 69 C C 2.899 177.418 174.990 -0.784 0.000 1.295 69 C CA 0.736 59.479 59.018 -0.459 0.000 1.738 69 C CB -0.797 26.671 27.740 -0.455 0.000 1.987 69 C HN 0.538 nan 8.230 nan 0.000 0.492 70 A N -0.131 122.489 122.820 -0.334 0.000 1.898 70 A HA -0.227 4.093 4.320 -0.001 0.000 0.216 70 A C 1.885 179.455 177.584 -0.023 0.000 1.181 70 A CA 2.122 54.087 52.037 -0.119 0.000 0.620 70 A CB -0.964 18.073 19.000 0.062 0.000 0.819 70 A HN 0.740 nan 8.150 nan 0.000 0.442 71 H N 0.005 119.030 119.070 -0.074 0.000 2.387 71 H HA 0.074 4.630 4.556 -0.001 0.000 0.299 71 H C 2.131 177.492 175.328 0.055 0.000 1.090 71 H CA 1.581 57.614 56.048 -0.025 0.000 1.332 71 H CB -0.198 29.504 29.762 -0.100 0.000 1.386 71 H HN 0.393 nan 8.280 nan 0.000 0.516 72 A N 0.092 122.941 122.820 0.048 0.000 1.877 72 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 72 A C 2.328 179.951 177.584 0.065 0.000 1.186 72 A CA 1.491 53.562 52.037 0.056 0.000 0.620 72 A CB -1.249 17.702 19.000 -0.081 0.000 0.822 72 A HN 0.536 nan 8.150 nan 0.000 0.443 73 F N 0.210 120.213 119.950 0.089 0.000 2.095 73 F HA -0.230 4.296 4.527 -0.001 0.000 0.298 73 F C 2.570 178.386 175.800 0.026 0.000 1.104 73 F CA 1.168 59.215 58.000 0.078 0.000 1.232 73 F CB -0.141 38.914 39.000 0.092 0.000 0.987 73 F HN 0.089 nan 8.300 nan 0.000 0.475 74 K N 0.373 120.870 120.400 0.162 0.000 2.032 74 K HA -0.143 4.177 4.320 -0.001 0.000 0.209 74 K C 2.071 178.651 176.600 -0.032 0.000 1.048 74 K CA 1.122 57.430 56.287 0.035 0.000 0.927 74 K CB -0.447 32.027 32.500 -0.043 0.000 0.712 74 K HN 0.167 nan 8.250 nan 0.000 0.441 75 R N 0.855 121.285 120.500 -0.117 0.000 2.096 75 R HA -0.012 4.327 4.340 -0.001 0.000 0.235 75 R C 2.424 178.727 176.300 0.005 0.000 1.127 75 R CA 0.912 56.958 56.100 -0.090 0.000 0.968 75 R CB -0.867 29.373 30.300 -0.098 0.000 0.861 75 R HN 0.309 nan 8.270 nan 0.000 0.440 76 I N 0.486 121.089 120.570 0.055 0.000 2.286 76 I HA -0.247 3.922 4.170 -0.001 0.000 0.248 76 I C 2.201 178.348 176.117 0.050 0.000 1.115 76 I CA 1.238 62.578 61.300 0.067 0.000 1.392 76 I CB -0.236 37.831 38.000 0.112 0.000 1.065 76 I HN 0.036 nan 8.210 nan 0.000 0.418 77 I N 0.364 120.968 120.570 0.056 0.000 2.277 77 I HA -0.202 3.968 4.170 -0.001 0.000 0.243 77 I C 2.295 178.425 176.117 0.023 0.000 1.094 77 I CA 1.294 62.619 61.300 0.041 0.000 1.393 77 I CB -0.313 37.717 38.000 0.050 0.000 1.078 77 I HN 0.173 nan 8.210 nan 0.000 0.417 78 E N 0.718 120.926 120.200 0.012 0.000 2.208 78 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 78 E C 1.980 178.581 176.600 0.003 0.000 0.988 78 E CA 0.924 57.326 56.400 0.003 0.000 0.828 78 E CB 0.104 29.797 29.700 -0.011 0.000 0.763 78 E HN 0.480 nan 8.360 nan 0.000 0.478 79 L N -0.226 121.000 121.223 0.005 0.000 2.585 79 L HA 0.205 4.545 4.340 -0.001 0.000 0.226 79 L C 0.046 176.921 176.870 0.009 0.000 1.113 79 L CA -0.115 54.729 54.840 0.006 0.000 0.876 79 L CB 0.100 42.163 42.059 0.008 0.000 1.072 79 L HN -0.033 nan 8.230 nan 0.000 0.468 80 R N 0.338 120.846 120.500 0.013 0.000 3.336 80 R HA -0.155 4.185 4.340 -0.001 0.000 0.260 80 R C -0.552 175.754 176.300 0.011 0.000 1.032 80 R CA 0.253 56.360 56.100 0.012 0.000 0.693 80 R CB -2.504 27.801 30.300 0.009 0.000 1.134 80 R HN 0.259 nan 8.270 nan 0.000 0.433 81 L N 1.350 122.581 121.223 0.013 0.000 2.397 81 L HA 0.168 4.507 4.340 -0.001 0.000 0.271 81 L C 1.241 178.111 176.870 0.000 0.000 1.148 81 L CA -0.541 54.305 54.840 0.009 0.000 0.825 81 L CB 0.409 42.477 42.059 0.015 0.000 1.117 81 L HN 0.280 nan 8.230 nan 0.000 0.456 82 N N 0.517 119.215 118.700 -0.002 0.000 2.366 82 N HA -0.002 4.737 4.740 -0.001 0.000 0.277 82 N C 0.594 176.083 175.510 -0.036 0.000 1.275 82 N CA -0.545 52.497 53.050 -0.013 0.000 0.964 82 N CB 0.385 38.873 38.487 0.002 0.000 1.167 82 N HN 0.629 nan 8.380 nan 0.000 0.568 83 E N -0.796 119.371 120.200 -0.055 0.000 2.077 83 E HA -0.289 4.061 4.350 -0.001 0.000 0.193 83 E C 1.424 177.979 176.600 -0.075 0.000 0.989 83 E CA 1.031 57.372 56.400 -0.098 0.000 0.800 83 E CB -0.031 29.602 29.700 -0.112 0.000 0.746 83 E HN 0.748 nan 8.360 nan 0.000 0.452 84 E N 0.437 120.617 120.200 -0.033 0.000 2.031 84 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 84 E C 1.874 178.459 176.600 -0.024 0.000 0.994 84 E CA 1.550 57.939 56.400 -0.019 0.000 0.800 84 E CB 0.026 29.741 29.700 0.026 0.000 0.752 84 E HN 0.320 nan 8.360 nan 0.000 0.447 85 E N 0.264 120.456 120.200 -0.013 0.000 2.085 85 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 85 E C 2.071 178.673 176.600 0.002 0.000 0.994 85 E CA 0.959 57.357 56.400 -0.003 0.000 0.801 85 E CB -0.194 29.507 29.700 0.001 0.000 0.743 85 E HN 0.373 nan 8.360 nan 0.000 0.453 86 A N 1.305 124.115 122.820 -0.018 0.000 1.908 86 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 86 A C 2.448 180.017 177.584 -0.026 0.000 1.181 86 A CA 1.787 53.812 52.037 -0.019 0.000 0.627 86 A CB -1.213 17.751 19.000 -0.060 0.000 0.818 86 A HN 0.368 nan 8.150 nan 0.000 0.445 87 G N -0.769 108.000 108.800 -0.053 0.000 2.418 87 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.217 87 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.217 87 G C 1.648 176.533 174.900 -0.025 0.000 1.158 87 G CA 0.729 45.798 45.100 -0.051 0.000 0.771 87 G HN 0.380 nan 8.290 nan 0.000 0.545 88 R N -0.227 120.268 120.500 -0.008 0.000 2.120 88 R HA 0.060 4.399 4.340 -0.001 0.000 0.234 88 R C 2.439 178.835 176.300 0.161 0.000 1.123 88 R CA 0.547 56.677 56.100 0.051 0.000 0.975 88 R CB -1.096 29.278 30.300 0.123 0.000 0.866 88 R HN 0.446 nan 8.270 nan 0.000 0.446 89 L N 1.179 122.460 121.223 0.097 0.000 1.994 89 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 89 L C 2.347 179.201 176.870 -0.026 0.000 1.071 89 L CA 1.754 56.632 54.840 0.064 0.000 0.745 89 L CB -0.267 41.810 42.059 0.030 0.000 0.892 89 L HN -0.023 nan 8.230 nan 0.000 0.431 90 R N -1.649 118.832 120.500 -0.032 0.000 2.096 90 R HA -0.227 4.112 4.340 -0.001 0.000 0.235 90 R C 2.307 178.563 176.300 -0.073 0.000 1.127 90 R CA 1.451 57.510 56.100 -0.068 0.000 0.968 90 R CB -0.773 29.523 30.300 -0.006 0.000 0.861 90 R HN 0.556 nan 8.270 nan 0.000 0.440 91 H N 0.173 119.139 119.070 -0.173 0.000 2.319 91 H HA -0.128 4.427 4.556 -0.001 0.000 0.299 91 H C 1.527 176.669 175.328 -0.310 0.000 1.092 91 H CA 1.939 57.810 56.048 -0.295 0.000 1.302 91 H CB -0.276 29.187 29.762 -0.498 0.000 1.373 91 H HN 0.121 nan 8.280 nan 0.000 0.497 92 F N -0.391 119.452 119.950 -0.178 0.000 2.456 92 F HA 0.042 4.569 4.527 -0.001 0.000 0.298 92 F C 2.322 178.086 175.800 -0.060 0.000 1.104 92 F CA 0.380 58.265 58.000 -0.191 0.000 1.435 92 F CB -0.071 38.835 39.000 -0.158 0.000 1.078 92 F HN 0.168 nan 8.300 nan 0.000 0.546 93 I N 0.050 120.572 120.570 -0.080 0.000 2.454 93 I HA -0.292 3.877 4.170 -0.001 0.000 0.254 93 I C 0.574 176.653 176.117 -0.062 0.000 1.156 93 I CA 1.246 62.404 61.300 -0.236 0.000 1.433 93 I CB -0.445 37.262 38.000 -0.489 0.000 1.082 93 I HN 0.109 nan 8.210 nan 0.000 0.432 94 D N 1.902 122.265 120.400 -0.061 0.000 2.697 94 D HA -0.268 4.372 4.640 -0.001 0.000 0.238 94 D C 0.082 176.328 176.300 -0.090 0.000 1.152 94 D CA 0.782 54.741 54.000 -0.069 0.000 0.666 94 D CB -0.709 40.065 40.800 -0.043 0.000 1.037 94 D HN 0.523 nan 8.370 nan 0.000 0.423 95 Q N 0.143 119.879 119.800 -0.106 0.000 2.350 95 Q HA 0.461 4.800 4.340 -0.001 0.000 0.255 95 Q C -2.658 173.253 176.000 -0.148 0.000 0.951 95 Q CA -1.869 53.872 55.803 -0.104 0.000 0.751 95 Q CB 1.628 30.327 28.738 -0.065 0.000 1.296 95 Q HN -0.030 nan 8.270 nan 0.000 0.453 96 P HA 0.082 nan 4.420 nan 0.000 0.260 96 P C -1.401 175.789 177.300 -0.184 0.000 1.172 96 P CA 0.512 63.414 63.100 -0.330 0.000 0.760 96 P CB 0.685 31.958 31.700 -0.711 0.000 0.773 97 A N 3.262 125.996 122.820 -0.142 0.000 2.610 97 A HA 0.403 4.722 4.320 -0.001 0.000 0.291 97 A C 0.444 177.987 177.584 -0.067 0.000 1.086 97 A CA -0.692 51.291 52.037 -0.090 0.000 0.677 97 A CB 0.172 19.044 19.000 -0.212 0.000 1.278 97 A HN 0.552 nan 8.150 nan 0.000 0.414 98 Y N -0.158 120.164 120.300 0.035 0.000 2.241 98 Y HA -0.151 4.399 4.550 -0.001 0.000 0.286 98 Y C 1.532 177.463 175.900 0.052 0.000 1.166 98 Y CA 2.098 60.230 58.100 0.053 0.000 1.203 98 Y CB -1.134 37.354 38.460 0.047 0.000 0.977 98 Y HN 0.166 nan 8.280 nan 0.000 0.529 99 V N 1.699 121.184 119.914 -0.715 0.000 2.469 99 V HA -0.311 3.809 4.120 -0.001 0.000 0.251 99 V C 1.977 178.066 176.094 -0.009 0.000 1.064 99 V CA 2.201 64.270 62.300 -0.384 0.000 1.066 99 V CB -0.697 30.917 31.823 -0.347 0.000 0.667 99 V HN 0.490 nan 8.190 nan 0.000 0.461 100 D N -0.093 120.304 120.400 -0.004 0.000 2.144 100 D HA -0.116 4.524 4.640 -0.001 0.000 0.199 100 D C 2.067 178.436 176.300 0.115 0.000 0.984 100 D CA 0.973 55.017 54.000 0.074 0.000 0.834 100 D CB -0.108 40.695 40.800 0.006 0.000 0.955 100 D HN 0.274 nan 8.370 nan 0.000 0.465 101 L N 0.226 121.520 121.223 0.117 0.000 2.179 101 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 101 L C 2.303 179.293 176.870 0.199 0.000 1.096 101 L CA 1.097 56.027 54.840 0.150 0.000 0.779 101 L CB -1.290 40.873 42.059 0.173 0.000 0.922 101 L HN 0.139 nan 8.230 nan 0.000 0.443 102 H N -0.901 118.202 119.070 0.055 0.000 2.290 102 H HA -0.226 4.329 4.556 -0.001 0.000 0.298 102 H C 2.118 177.480 175.328 0.057 0.000 1.087 102 H CA 2.470 58.502 56.048 -0.027 0.000 1.291 102 H CB -0.234 29.334 29.762 -0.323 0.000 1.369 102 H HN 0.245 nan 8.280 nan 0.000 0.492 103 W N -0.650 120.765 121.300 0.191 0.000 2.523 103 W HA 0.137 4.797 4.660 -0.001 0.000 0.278 103 W C 2.659 179.214 176.519 0.060 0.000 1.236 103 W CA 0.431 57.833 57.345 0.095 0.000 1.306 103 W CB 0.056 29.599 29.460 0.137 0.000 1.101 103 W HN 0.318 nan 8.180 nan 0.000 0.577 104 G N -0.875 108.091 108.800 0.278 0.000 2.603 104 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.214 104 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.214 104 G C 1.302 176.247 174.900 0.075 0.000 1.140 104 G CA 0.774 45.962 45.100 0.147 0.000 0.800 104 G HN -0.014 nan 8.290 nan 0.000 0.533 105 M N -1.569 118.091 119.600 0.099 0.000 2.330 105 M HA 0.353 4.833 4.480 -0.001 0.000 0.207 105 M C 1.856 178.284 176.300 0.215 0.000 1.622 105 M CA -0.235 55.093 55.300 0.047 0.000 1.045 105 M CB -0.964 31.605 32.600 -0.051 0.000 1.461 105 M HN 0.136 nan 8.290 nan 0.000 0.564 106 F N 2.118 122.137 119.950 0.114 0.000 2.069 106 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 106 F C 2.181 177.993 175.800 0.019 0.000 1.113 106 F CA 1.901 59.955 58.000 0.089 0.000 1.214 106 F CB -0.484 38.512 39.000 -0.006 0.000 0.978 106 F HN -0.117 nan 8.300 nan 0.000 0.474 107 V N 1.059 120.927 119.914 -0.077 0.000 2.261 107 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 107 V C -0.339 175.715 176.094 -0.068 0.000 1.047 107 V CA 2.392 64.615 62.300 -0.127 0.000 1.015 107 V CB -1.802 30.076 31.823 0.091 0.000 0.642 107 V HN 0.198 nan 8.190 nan 0.000 0.446 108 P HA -0.160 nan 4.420 nan 0.000 0.218 108 P C 1.598 178.901 177.300 0.006 0.000 1.148 108 P CA 1.921 65.031 63.100 0.016 0.000 0.822 108 P CB -0.110 31.620 31.700 0.051 0.000 0.784 109 A N -0.672 122.163 122.820 0.026 0.000 1.873 109 A HA -0.154 4.165 4.320 -0.001 0.000 0.215 109 A C 2.142 179.700 177.584 -0.044 0.000 1.186 109 A CA 1.376 53.460 52.037 0.080 0.000 0.616 109 A CB -1.527 17.627 19.000 0.257 0.000 0.823 109 A HN 0.112 nan 8.150 nan 0.000 0.442 110 I N -0.573 119.891 120.570 -0.177 0.000 2.315 110 I HA -0.246 3.923 4.170 -0.001 0.000 0.248 110 I C 2.416 178.471 176.117 -0.103 0.000 1.117 110 I CA 1.387 62.564 61.300 -0.205 0.000 1.404 110 I CB -0.285 37.523 38.000 -0.321 0.000 1.071 110 I HN 0.276 nan 8.210 nan 0.000 0.419 111 K N 0.795 121.150 120.400 -0.076 0.000 2.057 111 K HA -0.077 4.242 4.320 -0.001 0.000 0.206 111 K C 2.115 178.691 176.600 -0.041 0.000 1.050 111 K CA 1.534 57.794 56.287 -0.045 0.000 0.935 111 K CB -0.361 32.117 32.500 -0.036 0.000 0.715 111 K HN 0.422 nan 8.250 nan 0.000 0.439 112 G N 0.093 108.872 108.800 -0.035 0.000 2.683 112 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.213 112 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.213 112 G C 1.142 176.018 174.900 -0.040 0.000 1.142 112 G CA 0.098 45.178 45.100 -0.033 0.000 0.793 112 G HN 0.243 nan 8.290 nan 0.000 0.534 113 Q N -0.667 119.108 119.800 -0.041 0.000 2.245 113 Q HA 0.236 4.576 4.340 -0.001 0.000 0.236 113 Q C 1.242 177.195 176.000 -0.078 0.000 0.842 113 Q CA -0.114 55.656 55.803 -0.055 0.000 0.945 113 Q CB 1.387 30.104 28.738 -0.035 0.000 1.122 113 Q HN 0.317 nan 8.270 nan 0.000 0.506 114 G N 0.353 109.109 108.800 -0.073 0.000 2.476 114 G HA2 0.355 4.314 3.960 -0.001 0.000 0.286 114 G HA3 0.355 4.314 3.960 -0.001 0.000 0.286 114 G C -0.240 174.640 174.900 -0.033 0.000 1.177 114 G CA -0.250 44.814 45.100 -0.061 0.000 0.870 114 G HN -0.097 nan 8.290 nan 0.000 0.528 115 T N 0.338 114.883 114.554 -0.015 0.000 2.828 115 T HA 0.412 4.762 4.350 -0.001 0.000 0.290 115 T C 1.964 176.666 174.700 0.005 0.000 1.019 115 T CA 0.423 62.517 62.100 -0.009 0.000 1.031 115 T CB 1.115 69.981 68.868 -0.003 0.000 1.001 115 T HN 0.771 nan 8.240 nan 0.000 0.531 116 E N 0.745 120.944 120.200 -0.003 0.000 2.130 116 E HA -0.153 4.196 4.350 -0.001 0.000 0.196 116 E C 2.262 178.868 176.600 0.010 0.000 0.998 116 E CA 2.039 58.439 56.400 -0.000 0.000 0.806 116 E CB -1.518 28.178 29.700 -0.008 0.000 0.738 116 E HN 0.858 nan 8.360 nan 0.000 0.459 117 E N 0.338 120.546 120.200 0.014 0.000 2.152 117 E HA -0.152 4.198 4.350 -0.001 0.000 0.192 117 E C 2.044 178.671 176.600 0.044 0.000 0.983 117 E CA 1.145 57.555 56.400 0.017 0.000 0.818 117 E CB -0.480 29.228 29.700 0.014 0.000 0.758 117 E HN 0.781 nan 8.360 nan 0.000 0.467 118 Q N -0.593 119.257 119.800 0.082 0.000 2.096 118 Q HA -0.096 4.244 4.340 -0.001 0.000 0.197 118 Q C 2.565 178.691 176.000 0.210 0.000 0.964 118 Q CA 1.314 57.234 55.803 0.194 0.000 0.838 118 Q CB 0.026 28.864 28.738 0.166 0.000 0.906 118 Q HN 0.632 nan 8.270 nan 0.000 0.444 119 Q N 1.086 120.947 119.800 0.101 0.000 2.050 119 Q HA -0.190 4.150 4.340 -0.001 0.000 0.202 119 Q C 1.972 178.012 176.000 0.066 0.000 0.980 119 Q CA 1.623 57.470 55.803 0.075 0.000 0.840 119 Q CB -0.154 28.599 28.738 0.026 0.000 0.898 119 Q HN 0.320 nan 8.270 nan 0.000 0.424 120 K N 0.399 120.819 120.400 0.033 0.000 2.365 120 K HA -0.070 4.249 4.320 -0.001 0.000 0.199 120 K C 1.882 178.470 176.600 -0.021 0.000 1.045 120 K CA 0.900 57.193 56.287 0.009 0.000 0.962 120 K CB 0.092 32.589 32.500 -0.005 0.000 0.759 120 K HN -0.057 nan 8.250 nan 0.000 0.469 121 K N 0.561 120.932 120.400 -0.047 0.000 2.099 121 K HA -0.035 4.284 4.320 -0.001 0.000 0.203 121 K C 1.341 177.784 176.600 -0.262 0.000 1.047 121 K CA 0.808 56.974 56.287 -0.201 0.000 0.963 121 K CB -0.093 32.215 32.500 -0.320 0.000 0.759 121 K HN 0.288 nan 8.250 nan 0.000 0.451 122 W N 1.353 122.644 121.300 -0.016 0.000 2.481 122 W HA 0.108 4.768 4.660 -0.001 0.000 0.293 122 W C 1.962 178.476 176.519 -0.007 0.000 1.201 122 W CA 0.082 57.416 57.345 -0.018 0.000 1.328 122 W CB -0.232 29.199 29.460 -0.048 0.000 1.112 122 W HN -0.051 nan 8.180 nan 0.000 0.546 123 L N 0.680 122.018 121.223 0.192 0.000 2.191 123 L HA -0.215 4.125 4.340 -0.001 0.000 0.212 123 L C 2.658 179.607 176.870 0.131 0.000 1.103 123 L CA 1.564 56.484 54.840 0.133 0.000 0.769 123 L CB -1.019 41.090 42.059 0.084 0.000 0.908 123 L HN 0.052 nan 8.230 nan 0.000 0.438 124 S N 0.098 115.846 115.700 0.081 0.000 2.368 124 S HA -0.140 4.330 4.470 -0.001 0.000 0.224 124 S C 1.914 176.557 174.600 0.072 0.000 1.029 124 S CA 0.812 59.045 58.200 0.055 0.000 0.988 124 S CB -0.561 62.640 63.200 0.001 0.000 0.838 124 S HN 0.369 nan 8.310 nan 0.000 0.462 125 L N 1.333 122.597 121.223 0.069 0.000 2.044 125 L HA 0.051 4.390 4.340 -0.001 0.000 0.205 125 L C 3.268 180.234 176.870 0.159 0.000 1.075 125 L CA 1.165 56.051 54.840 0.077 0.000 0.747 125 L CB -0.928 41.158 42.059 0.046 0.000 0.903 125 L HN 0.463 nan 8.230 nan 0.000 0.435 126 A N 0.330 123.301 122.820 0.252 0.000 1.902 126 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 126 A C 2.027 179.834 177.584 0.373 0.000 1.181 126 A CA 1.802 54.051 52.037 0.353 0.000 0.623 126 A CB -0.576 18.621 19.000 0.328 0.000 0.818 126 A HN 0.428 nan 8.150 nan 0.000 0.443 127 N N -0.167 118.754 118.700 0.367 0.000 2.289 127 N HA -0.109 4.630 4.740 -0.001 0.000 0.184 127 N C 1.646 177.387 175.510 0.385 0.000 1.016 127 N CA 1.853 55.206 53.050 0.505 0.000 0.872 127 N CB -0.288 38.375 38.487 0.294 0.000 0.973 127 N HN 0.668 nan 8.380 nan 0.000 0.433 128 K N 0.489 121.014 120.400 0.208 0.000 2.393 128 K HA 0.272 4.591 4.320 -0.001 0.000 0.193 128 K C 0.803 177.423 176.600 0.034 0.000 1.026 128 K CA 0.337 56.688 56.287 0.106 0.000 1.064 128 K CB -0.367 32.169 32.500 0.060 0.000 0.833 128 K HN 0.085 nan 8.250 nan 0.000 0.521 129 M N -0.476 119.148 119.600 0.039 0.000 2.818 129 M HA -0.264 4.215 4.480 -0.001 0.000 0.204 129 M C 0.449 176.700 176.300 -0.080 0.000 0.552 129 M CA 1.009 56.237 55.300 -0.120 0.000 0.687 129 M CB -2.863 29.546 32.600 -0.318 0.000 2.512 129 M HN 0.648 nan 8.290 nan 0.000 0.563 130 Q N 0.500 120.295 119.800 -0.009 0.000 2.436 130 Q HA 0.228 4.568 4.340 -0.001 0.000 0.209 130 Q C 0.948 176.956 176.000 0.013 0.000 0.965 130 Q CA 0.973 56.776 55.803 -0.001 0.000 0.910 130 Q CB 0.200 28.942 28.738 0.007 0.000 0.980 130 Q HN 0.881 nan 8.270 nan 0.000 0.491 131 I N -3.659 116.918 120.570 0.012 0.000 3.006 131 I HA 0.512 4.682 4.170 -0.001 0.000 0.306 131 I C -1.250 174.854 176.117 -0.023 0.000 1.250 131 I CA -1.396 59.917 61.300 0.023 0.000 0.996 131 I CB 2.108 40.054 38.000 -0.088 0.000 1.261 131 I HN -0.233 nan 8.210 nan 0.000 0.442 132 I N 3.018 123.557 120.570 -0.052 0.000 2.447 132 I HA 0.643 4.812 4.170 -0.001 0.000 0.287 132 I C 0.227 176.201 176.117 -0.238 0.000 1.023 132 I CA -0.411 60.775 61.300 -0.190 0.000 1.083 132 I CB 1.863 39.740 38.000 -0.206 0.000 1.245 132 I HN 0.866 nan 8.210 nan 0.000 0.434 133 G N 4.477 113.001 108.800 -0.460 0.000 2.489 133 G HA2 0.715 4.675 3.960 -0.001 0.000 0.327 133 G HA3 0.715 4.675 3.960 -0.001 0.000 0.327 133 G C -0.791 173.787 174.900 -0.536 0.000 1.189 133 G CA -0.549 43.767 45.100 -1.307 0.000 0.962 133 G HN 0.809 nan 8.290 nan 0.000 0.486 134 C N -1.735 117.396 119.300 -0.281 0.000 3.213 134 C HA 0.773 5.233 4.460 -0.001 0.000 0.319 134 C C -0.975 174.193 174.990 0.297 0.000 1.386 134 C CA -1.497 57.578 59.018 0.094 0.000 1.494 134 C CB 0.946 28.730 27.740 0.074 0.000 1.905 134 C HN 0.690 nan 8.230 nan 0.000 0.456 135 Y N 1.468 121.894 120.300 0.209 0.000 2.593 135 Y HA 0.557 5.106 4.550 -0.001 0.000 0.331 135 Y C 0.345 176.392 175.900 0.246 0.000 0.986 135 Y CA -0.347 57.911 58.100 0.263 0.000 1.262 135 Y CB 0.441 39.029 38.460 0.214 0.000 1.098 135 Y HN 1.035 nan 8.280 nan 0.000 0.506 136 A N 6.136 129.006 122.820 0.082 0.000 2.774 136 A HA 0.256 4.576 4.320 -0.001 0.000 0.326 136 A C 0.679 178.344 177.584 0.135 0.000 1.478 136 A CA -0.340 51.776 52.037 0.133 0.000 1.099 136 A CB 0.153 19.248 19.000 0.158 0.000 1.148 136 A HN 0.953 nan 8.150 nan 0.000 0.519 137 Q N 1.598 121.472 119.800 0.123 0.000 2.622 137 Q HA 0.072 4.412 4.340 -0.001 0.000 0.208 137 Q C 0.308 176.425 176.000 0.194 0.000 0.911 137 Q CA 0.530 56.407 55.803 0.123 0.000 0.893 137 Q CB 0.419 29.131 28.738 -0.044 0.000 1.124 137 Q HN 0.547 nan 8.270 nan 0.000 0.634 138 T N 2.334 117.031 114.554 0.238 0.000 2.946 138 T HA 0.033 4.382 4.350 -0.001 0.000 0.312 138 T C -0.491 174.398 174.700 0.316 0.000 1.066 138 T CA 0.555 62.825 62.100 0.282 0.000 1.138 138 T CB 0.519 69.593 68.868 0.343 0.000 1.014 138 T HN 0.266 nan 8.240 nan 0.000 0.544 139 E N 1.290 121.676 120.200 0.309 0.000 2.393 139 E HA 0.377 4.727 4.350 -0.001 0.000 0.265 139 E C 1.039 177.797 176.600 0.263 0.000 0.941 139 E CA -0.959 55.618 56.400 0.296 0.000 0.801 139 E CB 1.477 31.320 29.700 0.237 0.000 1.313 139 E HN 0.332 nan 8.360 nan 0.000 0.435 140 L N 0.533 121.845 121.223 0.148 0.000 2.013 140 L HA -0.170 4.170 4.340 -0.001 0.000 0.212 140 L C 2.008 178.834 176.870 -0.073 0.000 1.073 140 L CA 2.020 56.792 54.840 -0.113 0.000 0.753 140 L CB -0.356 41.530 42.059 -0.288 0.000 0.890 140 L HN 0.792 nan 8.230 nan 0.000 0.432 141 G N -2.939 105.859 108.800 -0.003 0.000 2.880 141 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.209 141 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.209 141 G C -0.360 174.333 174.900 -0.344 0.000 1.157 141 G CA -0.027 45.005 45.100 -0.115 0.000 0.779 141 G HN 0.399 nan 8.290 nan 0.000 0.539 142 H N -2.229 116.878 119.070 0.062 0.000 3.017 142 H HA 0.519 5.074 4.556 -0.001 0.000 0.340 142 H C 0.636 176.026 175.328 0.103 0.000 1.014 142 H CA -0.018 56.072 56.048 0.070 0.000 1.341 142 H CB 1.958 31.756 29.762 0.061 0.000 1.739 142 H HN 0.053 nan 8.280 nan 0.000 0.506 143 G N 0.557 109.455 108.800 0.163 0.000 2.485 143 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.192 143 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.192 143 G C 1.173 176.133 174.900 0.101 0.000 1.368 143 G CA 0.180 45.365 45.100 0.141 0.000 0.685 143 G HN 0.479 nan 8.290 nan 0.000 0.608 144 S N 1.000 116.737 115.700 0.062 0.000 2.368 144 S HA -0.096 4.373 4.470 -0.001 0.000 0.225 144 S C 1.359 175.994 174.600 0.058 0.000 1.030 144 S CA 0.939 59.164 58.200 0.041 0.000 0.999 144 S CB -0.227 62.983 63.200 0.017 0.000 0.844 144 S HN 0.382 nan 8.310 nan 0.000 0.459 145 N N 1.831 120.588 118.700 0.095 0.000 2.968 145 N HA 0.154 4.893 4.740 -0.001 0.000 0.271 145 N C 0.624 176.209 175.510 0.125 0.000 1.174 145 N CA -0.096 53.023 53.050 0.115 0.000 1.096 145 N CB 0.163 38.750 38.487 0.167 0.000 1.403 145 N HN -0.058 nan 8.380 nan 0.000 0.522 146 V N 1.478 121.435 119.914 0.072 0.000 2.469 146 V HA -0.226 3.894 4.120 -0.001 0.000 0.251 146 V C 2.026 178.131 176.094 0.018 0.000 1.064 146 V CA 1.438 63.767 62.300 0.049 0.000 1.066 146 V CB -0.420 31.414 31.823 0.019 0.000 0.667 146 V HN 0.614 nan 8.190 nan 0.000 0.461 147 Q N 0.381 120.189 119.800 0.013 0.000 2.500 147 Q HA -0.046 4.293 4.340 -0.001 0.000 0.213 147 Q C 2.110 178.077 176.000 -0.053 0.000 0.974 147 Q CA 1.310 57.110 55.803 -0.006 0.000 0.918 147 Q CB -0.435 28.305 28.738 0.003 0.000 0.980 147 Q HN 0.709 nan 8.270 nan 0.000 0.505 148 G N -0.362 108.376 108.800 -0.103 0.000 3.088 148 G HA2 0.172 4.132 3.960 -0.001 0.000 0.217 148 G HA3 0.172 4.132 3.960 -0.001 0.000 0.217 148 G C 0.511 174.978 174.900 -0.723 0.000 1.159 148 G CA -0.375 44.505 45.100 -0.366 0.000 0.760 148 G HN 0.159 nan 8.290 nan 0.000 0.550 149 L N 0.695 121.723 121.223 -0.324 0.000 2.543 149 L HA 0.027 4.366 4.340 -0.001 0.000 0.285 149 L C 1.229 178.001 176.870 -0.164 0.000 1.236 149 L CA 0.345 55.074 54.840 -0.184 0.000 0.871 149 L CB 0.596 42.654 42.059 -0.003 0.000 1.121 149 L HN 0.290 nan 8.230 nan 0.000 0.501 150 E N 0.412 120.558 120.200 -0.090 0.000 2.389 150 E HA 0.033 4.382 4.350 -0.001 0.000 0.199 150 E C 0.143 176.738 176.600 -0.007 0.000 0.978 150 E CA -0.012 56.363 56.400 -0.041 0.000 0.912 150 E CB 0.336 30.035 29.700 -0.001 0.000 0.907 150 E HN 0.662 nan 8.360 nan 0.000 0.494 151 T N 2.426 116.988 114.554 0.013 0.000 2.934 151 T HA 0.059 4.409 4.350 -0.001 0.000 0.306 151 T C 0.311 174.984 174.700 -0.045 0.000 1.042 151 T CA 0.347 62.446 62.100 -0.002 0.000 1.145 151 T CB 0.685 69.572 68.868 0.031 0.000 0.982 151 T HN 0.162 nan 8.240 nan 0.000 0.544 152 T N -0.743 113.771 114.554 -0.067 0.000 2.912 152 T HA 0.738 5.088 4.350 -0.001 0.000 0.288 152 T C -0.617 173.963 174.700 -0.199 0.000 1.030 152 T CA -1.154 60.898 62.100 -0.080 0.000 1.020 152 T CB 1.914 70.782 68.868 0.001 0.000 1.056 152 T HN 0.641 nan 8.240 nan 0.000 0.480 153 A N 2.153 124.821 122.820 -0.255 0.000 2.545 153 A HA 0.630 4.949 4.320 -0.001 0.000 0.300 153 A C 0.003 177.551 177.584 -0.060 0.000 1.252 153 A CA -0.798 50.978 52.037 -0.435 0.000 0.753 153 A CB 0.392 18.589 19.000 -1.338 0.000 1.144 153 A HN 0.834 nan 8.150 nan 0.000 0.457 154 T N 2.830 117.430 114.554 0.076 0.000 2.767 154 T HA 0.448 4.798 4.350 -0.001 0.000 0.284 154 T C -0.008 174.786 174.700 0.157 0.000 0.973 154 T CA -0.326 61.861 62.100 0.146 0.000 0.996 154 T CB 1.065 69.976 68.868 0.072 0.000 0.927 154 T HN 0.564 nan 8.240 nan 0.000 0.456 155 L N 2.908 124.180 121.223 0.082 0.000 2.426 155 L HA 0.367 4.707 4.340 -0.001 0.000 0.271 155 L C 0.080 176.844 176.870 -0.176 0.000 1.169 155 L CA 0.242 54.899 54.840 -0.306 0.000 0.836 155 L CB 0.492 42.289 42.059 -0.436 0.000 1.112 155 L HN 0.539 nan 8.230 nan 0.000 0.465 156 D N 5.565 125.836 120.400 -0.215 0.000 2.438 156 D HA 0.328 4.968 4.640 -0.001 0.000 0.257 156 D C -2.061 174.160 176.300 -0.131 0.000 1.148 156 D CA -1.925 52.000 54.000 -0.125 0.000 0.902 156 D CB 1.604 42.351 40.800 -0.088 0.000 1.062 156 D HN 0.310 nan 8.370 nan 0.000 0.518 157 P HA -0.168 nan 4.420 nan 0.000 0.216 157 P C 1.219 178.478 177.300 -0.069 0.000 1.153 157 P CA 1.066 64.111 63.100 -0.092 0.000 0.858 157 P CB 0.389 32.050 31.700 -0.065 0.000 0.789 158 K N -0.952 119.414 120.400 -0.056 0.000 2.360 158 K HA -0.046 4.274 4.320 -0.001 0.000 0.201 158 K C 1.588 178.164 176.600 -0.041 0.000 1.046 158 K CA 1.774 58.035 56.287 -0.043 0.000 0.945 158 K CB -1.209 31.269 32.500 -0.037 0.000 0.750 158 K HN 0.368 nan 8.250 nan 0.000 0.464 159 T N -3.859 110.665 114.554 -0.051 0.000 3.016 159 T HA 0.070 4.419 4.350 -0.001 0.000 0.271 159 T C 0.059 174.729 174.700 -0.050 0.000 0.968 159 T CA 0.145 62.220 62.100 -0.041 0.000 0.891 159 T CB 0.145 68.992 68.868 -0.035 0.000 1.149 159 T HN 0.029 nan 8.240 nan 0.000 0.524 160 D N 1.361 121.713 120.400 -0.080 0.000 2.699 160 D HA -0.141 4.498 4.640 -0.001 0.000 0.239 160 D C -0.470 175.766 176.300 -0.106 0.000 1.136 160 D CA 0.920 54.860 54.000 -0.100 0.000 0.668 160 D CB -1.195 39.571 40.800 -0.056 0.000 1.060 160 D HN 0.814 nan 8.370 nan 0.000 0.429 161 E N -0.648 119.467 120.200 -0.142 0.000 2.369 161 E HA 0.524 4.874 4.350 -0.001 0.000 0.270 161 E C -0.562 175.928 176.600 -0.184 0.000 0.909 161 E CA -0.921 55.424 56.400 -0.093 0.000 0.775 161 E CB 1.129 30.821 29.700 -0.014 0.000 1.270 161 E HN 0.042 nan 8.360 nan 0.000 0.445 162 F N 1.054 121.001 119.950 -0.005 0.000 2.415 162 F HA 0.259 4.785 4.527 -0.001 0.000 0.348 162 F C -0.120 175.623 175.800 -0.096 0.000 1.119 162 F CA -0.854 57.111 58.000 -0.060 0.000 1.069 162 F CB 1.392 40.341 39.000 -0.085 0.000 1.124 162 F HN 0.109 nan 8.300 nan 0.000 0.472 163 V N 6.195 126.174 119.914 0.108 0.000 2.339 163 V HA 0.181 4.301 4.120 -0.001 0.000 0.261 163 V C 0.182 176.268 176.094 -0.014 0.000 1.058 163 V CA -0.538 61.795 62.300 0.056 0.000 0.897 163 V CB 0.189 32.054 31.823 0.069 0.000 1.052 163 V HN 0.382 nan 8.190 nan 0.000 0.480 164 I N 4.879 125.386 120.570 -0.105 0.000 2.371 164 I HA 0.439 4.608 4.170 -0.001 0.000 0.290 164 I C -0.089 175.975 176.117 -0.087 0.000 1.028 164 I CA 0.113 61.236 61.300 -0.296 0.000 1.345 164 I CB 0.550 38.159 38.000 -0.651 0.000 1.407 164 I HN 0.651 nan 8.210 nan 0.000 0.501 165 H N 3.440 122.395 119.070 -0.191 0.000 2.930 165 H HA 0.465 5.020 4.556 -0.001 0.000 0.371 165 H C -0.962 174.352 175.328 -0.023 0.000 1.169 165 H CA -0.369 55.609 56.048 -0.117 0.000 1.157 165 H CB 1.853 31.481 29.762 -0.224 0.000 1.789 165 H HN 0.487 nan 8.280 nan 0.000 0.547 166 T N 7.050 121.241 114.554 -0.606 0.000 3.016 166 T HA 0.174 4.524 4.350 -0.001 0.000 0.335 166 T C -1.816 172.575 174.700 -0.515 0.000 1.176 166 T CA -1.157 60.736 62.100 -0.344 0.000 0.987 166 T CB 0.859 69.632 68.868 -0.157 0.000 1.073 166 T HN 0.510 nan 8.240 nan 0.000 0.547 167 P HA -0.119 nan 4.420 nan 0.000 0.214 167 P C 0.892 178.162 177.300 -0.050 0.000 1.169 167 P CA 1.344 64.412 63.100 -0.055 0.000 0.908 167 P CB 0.148 31.859 31.700 0.018 0.000 0.791 168 T N -5.900 108.625 114.554 -0.048 0.000 2.864 168 T HA 0.282 4.632 4.350 -0.001 0.000 0.289 168 T C 0.762 175.435 174.700 -0.045 0.000 1.082 168 T CA -0.819 61.261 62.100 -0.033 0.000 1.009 168 T CB 1.454 70.317 68.868 -0.010 0.000 1.234 168 T HN -0.072 nan 8.240 nan 0.000 0.526 169 Q N 0.208 119.978 119.800 -0.050 0.000 2.135 169 Q HA -0.141 4.198 4.340 -0.001 0.000 0.204 169 Q C 1.995 177.957 176.000 -0.063 0.000 0.981 169 Q CA 2.267 58.030 55.803 -0.068 0.000 0.856 169 Q CB -0.644 28.041 28.738 -0.088 0.000 0.902 169 Q HN 0.945 nan 8.270 nan 0.000 0.425 170 T N -2.726 111.798 114.554 -0.050 0.000 3.051 170 T HA 0.098 4.447 4.350 -0.001 0.000 0.269 170 T C 1.492 176.214 174.700 0.036 0.000 1.127 170 T CA 0.720 62.798 62.100 -0.036 0.000 1.107 170 T CB -0.018 68.837 68.868 -0.021 0.000 0.898 170 T HN 0.309 nan 8.240 nan 0.000 0.517 171 A N 1.196 124.038 122.820 0.036 0.000 2.178 171 A HA 0.384 4.703 4.320 -0.001 0.000 0.211 171 A C 1.486 179.129 177.584 0.098 0.000 1.157 171 A CA 0.184 52.261 52.037 0.067 0.000 0.780 171 A CB -0.460 18.554 19.000 0.023 0.000 0.828 171 A HN 0.513 nan 8.150 nan 0.000 0.476 172 S N 1.393 117.142 115.700 0.082 0.000 2.552 172 S HA 0.148 4.617 4.470 -0.001 0.000 0.289 172 S C 0.143 174.884 174.600 0.235 0.000 1.304 172 S CA -0.393 57.887 58.200 0.135 0.000 1.063 172 S CB 0.116 63.392 63.200 0.126 0.000 0.848 172 S HN 0.316 nan 8.310 nan 0.000 0.499 173 K N 3.777 124.318 120.400 0.235 0.000 2.382 173 K HA 0.139 4.458 4.320 -0.001 0.000 0.275 173 K C -0.406 176.411 176.600 0.361 0.000 1.009 173 K CA 0.064 56.511 56.287 0.267 0.000 0.970 173 K CB 0.375 32.993 32.500 0.198 0.000 0.934 173 K HN 0.791 nan 8.250 nan 0.000 0.479 174 W N 3.393 124.769 121.300 0.126 0.000 3.544 174 W HA 0.112 4.772 4.660 -0.001 0.000 0.326 174 W C -0.881 175.720 176.519 0.137 0.000 1.137 174 W CA -0.620 56.752 57.345 0.046 0.000 1.252 174 W CB 0.636 30.092 29.460 -0.006 0.000 1.302 174 W HN 0.849 nan 8.180 nan 0.000 0.467 175 W N 1.418 122.667 121.300 -0.085 0.000 0.478 175 W HA -0.183 4.477 4.660 -0.001 0.000 0.220 175 W C -1.985 174.544 176.519 0.017 0.000 0.931 175 W CA 0.083 57.421 57.345 -0.013 0.000 0.335 175 W CB -1.995 27.548 29.460 0.139 0.000 1.927 175 W HN 0.189 nan 8.180 nan 0.000 1.014 176 P HA 0.153 nan 4.420 nan 0.000 0.255 176 P C 0.614 178.011 177.300 0.162 0.000 1.161 176 P CA 1.714 64.940 63.100 0.209 0.000 0.768 176 P CB 0.054 31.848 31.700 0.157 0.000 0.746 177 G N 3.025 111.953 108.800 0.212 0.000 2.398 177 G HA2 0.360 4.320 3.960 -0.001 0.000 0.246 177 G HA3 0.360 4.320 3.960 -0.001 0.000 0.246 177 G C 1.100 176.105 174.900 0.174 0.000 1.289 177 G CA 0.192 45.417 45.100 0.207 0.000 0.869 177 G HN 0.834 nan 8.290 nan 0.000 0.543 178 G N 1.008 109.914 108.800 0.176 0.000 2.179 178 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 178 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 178 G C 1.153 176.087 174.900 0.056 0.000 0.977 178 G CA 0.867 46.077 45.100 0.184 0.000 0.641 178 G HN 1.246 nan 8.290 nan 0.000 0.533 179 L N 1.327 122.552 121.223 0.004 0.000 2.162 179 L HA 0.468 4.808 4.340 -0.001 0.000 0.205 179 L C 2.642 179.399 176.870 -0.188 0.000 1.086 179 L CA 2.677 57.464 54.840 -0.088 0.000 0.778 179 L CB -0.943 41.065 42.059 -0.086 0.000 0.928 179 L HN 0.291 nan 8.230 nan 0.000 0.446 180 G N -0.186 108.488 108.800 -0.210 0.000 2.513 180 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.219 180 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.219 180 G C 1.484 176.208 174.900 -0.293 0.000 1.160 180 G CA 1.260 46.162 45.100 -0.330 0.000 0.767 180 G HN 0.367 nan 8.290 nan 0.000 0.571 181 K N -1.372 118.934 120.400 -0.157 0.000 2.590 181 K HA 0.265 4.584 4.320 -0.001 0.000 0.218 181 K C 1.946 178.620 176.600 0.124 0.000 1.536 181 K CA 0.166 56.418 56.287 -0.060 0.000 1.013 181 K CB 0.735 33.176 32.500 -0.098 0.000 1.265 181 K HN 0.295 nan 8.250 nan 0.000 0.603 182 V N 1.075 121.029 119.914 0.066 0.000 2.490 182 V HA 0.082 4.202 4.120 -0.001 0.000 0.238 182 V C 0.888 176.949 176.094 -0.055 0.000 1.056 182 V CA 0.467 62.748 62.300 -0.031 0.000 1.075 182 V CB -0.107 31.468 31.823 -0.413 0.000 0.746 182 V HN 0.019 nan 8.190 nan 0.000 0.479 183 S N 1.412 117.048 115.700 -0.108 0.000 2.558 183 S HA 0.030 4.500 4.470 -0.001 0.000 0.293 183 S C 1.425 175.956 174.600 -0.115 0.000 1.292 183 S CA 0.729 58.862 58.200 -0.112 0.000 1.063 183 S CB 0.945 64.078 63.200 -0.112 0.000 0.831 183 S HN 0.785 nan 8.310 nan 0.000 0.499 184 T N 0.249 114.775 114.554 -0.047 0.000 3.037 184 T HA 0.205 4.554 4.350 -0.001 0.000 0.252 184 T C 0.230 174.833 174.700 -0.161 0.000 1.073 184 T CA 0.387 62.455 62.100 -0.053 0.000 1.091 184 T CB -0.052 68.903 68.868 0.145 0.000 0.935 184 T HN 0.629 nan 8.240 nan 0.000 0.488 185 H N 0.407 119.404 119.070 -0.121 0.000 2.907 185 H HA 0.874 5.430 4.556 -0.001 0.000 0.361 185 H C -0.702 174.507 175.328 -0.199 0.000 1.194 185 H CA -0.396 55.594 56.048 -0.097 0.000 1.152 185 H CB 2.026 31.783 29.762 -0.008 0.000 1.867 185 H HN 0.460 nan 8.280 nan 0.000 0.561 186 A N 0.339 123.201 122.820 0.069 0.000 2.605 186 A HA 0.496 4.816 4.320 -0.001 0.000 0.294 186 A C -1.607 176.095 177.584 0.197 0.000 1.062 186 A CA -0.605 51.487 52.037 0.093 0.000 0.682 186 A CB 0.939 19.974 19.000 0.058 0.000 1.278 186 A HN 0.403 nan 8.150 nan 0.000 0.410 187 V N 2.101 122.168 119.914 0.255 0.000 2.353 187 V HA 0.363 4.482 4.120 -0.001 0.000 0.264 187 V C -0.049 175.961 176.094 -0.140 0.000 1.049 187 V CA -0.230 62.070 62.300 -0.000 0.000 0.896 187 V CB 0.881 32.697 31.823 -0.012 0.000 1.025 187 V HN 0.622 nan 8.190 nan 0.000 0.475 188 V N 6.216 126.027 119.914 -0.172 0.000 2.481 188 V HA 0.407 4.527 4.120 -0.001 0.000 0.286 188 V C -0.625 175.310 176.094 -0.264 0.000 1.042 188 V CA -0.722 61.510 62.300 -0.114 0.000 0.928 188 V CB 1.319 33.099 31.823 -0.072 0.000 0.986 188 V HN 0.685 nan 8.190 nan 0.000 0.462 189 Y N 2.862 123.160 120.300 -0.004 0.000 2.331 189 Y HA 0.749 5.299 4.550 -0.001 0.000 0.338 189 Y C 0.411 176.343 175.900 0.054 0.000 0.992 189 Y CA -0.162 57.964 58.100 0.044 0.000 1.121 189 Y CB 1.796 40.236 38.460 -0.032 0.000 1.184 189 Y HN 0.809 nan 8.280 nan 0.000 0.469 190 A N 3.040 125.982 122.820 0.203 0.000 2.602 190 A HA 0.700 5.020 4.320 -0.001 0.000 0.290 190 A C -1.148 176.524 177.584 0.147 0.000 1.114 190 A CA -1.296 50.784 52.037 0.071 0.000 0.683 190 A CB 1.322 20.222 19.000 -0.167 0.000 1.281 190 A HN 0.745 nan 8.150 nan 0.000 0.416 191 R N 0.626 121.169 120.500 0.071 0.000 2.370 191 R HA 0.225 4.565 4.340 -0.001 0.000 0.309 191 R C -0.557 175.811 176.300 0.114 0.000 1.059 191 R CA -0.213 55.951 56.100 0.107 0.000 0.981 191 R CB 0.311 30.639 30.300 0.047 0.000 0.972 191 R HN 0.591 nan 8.270 nan 0.000 0.437 192 L N 5.725 127.086 121.223 0.230 0.000 2.369 192 L HA 0.234 4.573 4.340 -0.001 0.000 0.279 192 L C -0.511 176.472 176.870 0.189 0.000 1.108 192 L CA 0.032 54.991 54.840 0.199 0.000 0.852 192 L CB 0.291 42.397 42.059 0.078 0.000 1.169 192 L HN 0.566 nan 8.230 nan 0.000 0.452 193 I N 4.682 125.360 120.570 0.180 0.000 2.389 193 I HA 0.398 4.568 4.170 -0.001 0.000 0.288 193 I C -0.158 176.092 176.117 0.221 0.000 0.999 193 I CA -0.241 61.167 61.300 0.180 0.000 1.129 193 I CB 1.933 39.995 38.000 0.103 0.000 1.288 193 I HN 0.492 nan 8.210 nan 0.000 0.444 194 T N 3.866 118.566 114.554 0.244 0.000 3.012 194 T HA 0.291 4.640 4.350 -0.001 0.000 0.330 194 T C -0.399 174.427 174.700 0.211 0.000 1.321 194 T CA -0.430 61.784 62.100 0.190 0.000 1.067 194 T CB 0.793 69.759 68.868 0.163 0.000 1.235 194 T HN 0.666 nan 8.240 nan 0.000 0.479 195 N N 1.867 120.642 118.700 0.125 0.000 2.735 195 N HA -0.170 4.569 4.740 -0.001 0.000 0.248 195 N C 0.796 176.364 175.510 0.097 0.000 1.083 195 N CA 2.336 55.453 53.050 0.112 0.000 0.703 195 N CB -1.300 37.278 38.487 0.151 0.000 1.005 195 N HN 1.546 nan 8.380 nan 0.000 0.550 196 G N -0.970 107.874 108.800 0.074 0.000 2.225 196 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.267 196 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.267 196 G C 0.004 174.914 174.900 0.018 0.000 1.024 196 G CA 1.045 46.170 45.100 0.040 0.000 0.784 196 G HN 0.733 nan 8.290 nan 0.000 0.507 197 K N -0.077 120.344 120.400 0.035 0.000 2.422 197 K HA 0.446 4.766 4.320 -0.001 0.000 0.251 197 K C -1.561 174.965 176.600 -0.123 0.000 0.933 197 K CA -0.992 55.229 56.287 -0.111 0.000 0.798 197 K CB 1.407 33.743 32.500 -0.274 0.000 1.238 197 K HN -0.019 nan 8.250 nan 0.000 0.428 198 D N 3.246 123.523 120.400 -0.206 0.000 2.347 198 D HA 0.098 4.737 4.640 -0.001 0.000 0.235 198 D C -0.528 175.612 176.300 -0.267 0.000 1.149 198 D CA 0.006 53.933 54.000 -0.122 0.000 0.850 198 D CB 0.519 41.273 40.800 -0.078 0.000 1.061 198 D HN 0.516 nan 8.370 nan 0.000 0.487 199 Y N 2.283 122.514 120.300 -0.116 0.000 2.524 199 Y HA 0.313 4.863 4.550 -0.001 0.000 0.266 199 Y C 1.503 177.394 175.900 -0.014 0.000 1.180 199 Y CA 0.440 58.409 58.100 -0.219 0.000 1.244 199 Y CB 0.421 38.480 38.460 -0.668 0.000 1.125 199 Y HN 0.669 nan 8.280 nan 0.000 0.524 200 G N 0.319 109.205 108.800 0.144 0.000 2.685 200 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.387 200 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.387 200 G C -0.880 174.175 174.900 0.258 0.000 1.324 200 G CA -1.015 44.177 45.100 0.153 0.000 0.878 200 G HN -0.051 nan 8.290 nan 0.000 0.527 201 I N 1.657 122.306 120.570 0.132 0.000 2.533 201 I HA 0.409 4.579 4.170 -0.001 0.000 0.284 201 I C 0.766 176.911 176.117 0.047 0.000 1.109 201 I CA 0.376 61.770 61.300 0.157 0.000 1.412 201 I CB 0.134 38.197 38.000 0.104 0.000 1.396 201 I HN 0.546 nan 8.210 nan 0.000 0.543 202 H N 2.459 121.652 119.070 0.205 0.000 2.946 202 H HA 0.671 5.227 4.556 -0.001 0.000 0.365 202 H C 0.287 175.493 175.328 -0.203 0.000 1.197 202 H CA -0.610 55.441 56.048 0.005 0.000 1.131 202 H CB 1.808 31.453 29.762 -0.194 0.000 1.849 202 H HN 0.690 nan 8.280 nan 0.000 0.555 203 G N 0.608 109.112 108.800 -0.493 0.000 2.356 203 G HA2 0.521 4.481 3.960 -0.001 0.000 0.322 203 G HA3 0.521 4.481 3.960 -0.001 0.000 0.322 203 G C -1.348 172.967 174.900 -0.974 0.000 1.125 203 G CA -0.293 44.231 45.100 -0.961 0.000 0.885 203 G HN 0.315 nan 8.290 nan 0.000 0.467 204 F N 0.915 120.542 119.950 -0.538 0.000 2.556 204 F HA 0.435 4.962 4.527 -0.001 0.000 0.314 204 F C 0.276 175.870 175.800 -0.344 0.000 1.106 204 F CA -0.854 56.905 58.000 -0.402 0.000 0.911 204 F CB 2.299 41.054 39.000 -0.409 0.000 1.190 204 F HN 0.199 nan 8.300 nan 0.000 0.448 205 I N 3.931 124.400 120.570 -0.168 0.000 2.371 205 I HA 0.412 4.581 4.170 -0.001 0.000 0.290 205 I C -0.765 175.298 176.117 -0.089 0.000 1.028 205 I CA -0.547 60.615 61.300 -0.230 0.000 1.345 205 I CB 0.895 38.516 38.000 -0.632 0.000 1.407 205 I HN 0.234 nan 8.210 nan 0.000 0.501 206 V N 5.974 125.880 119.914 -0.014 0.000 2.638 206 V HA 0.267 4.386 4.120 -0.001 0.000 0.306 206 V C -0.262 175.843 176.094 0.018 0.000 1.052 206 V CA -0.794 61.528 62.300 0.036 0.000 0.885 206 V CB 1.737 33.597 31.823 0.063 0.000 0.999 206 V HN 0.722 nan 8.190 nan 0.000 0.424 207 Q N 2.824 122.598 119.800 -0.043 0.000 2.279 207 Q HA 0.491 4.830 4.340 -0.001 0.000 0.256 207 Q C -0.144 175.737 176.000 -0.198 0.000 0.937 207 Q CA -0.303 55.292 55.803 -0.347 0.000 0.933 207 Q CB 1.281 29.818 28.738 -0.334 0.000 1.189 207 Q HN 0.789 nan 8.270 nan 0.000 0.417 208 L N 2.693 123.766 121.223 -0.251 0.000 2.286 208 L HA 0.310 4.649 4.340 -0.001 0.000 0.203 208 L C 0.637 177.384 176.870 -0.206 0.000 1.068 208 L CA 0.323 55.057 54.840 -0.177 0.000 0.811 208 L CB 0.194 42.146 42.059 -0.178 0.000 0.989 208 L HN 0.531 nan 8.230 nan 0.000 0.467 209 R N -0.411 119.937 120.500 -0.252 0.000 2.795 209 R HA 0.360 4.700 4.340 -0.001 0.000 0.275 209 R C -0.460 175.751 176.300 -0.148 0.000 0.981 209 R CA -0.502 55.453 56.100 -0.242 0.000 0.917 209 R CB 2.235 32.273 30.300 -0.437 0.000 1.202 209 R HN -0.086 nan 8.270 nan 0.000 0.469 210 S N 1.368 117.017 115.700 -0.085 0.000 2.562 210 S HA 0.085 4.555 4.470 -0.001 0.000 0.281 210 S C 0.970 175.596 174.600 0.044 0.000 1.333 210 S CA -0.434 57.760 58.200 -0.011 0.000 1.052 210 S CB 0.389 63.590 63.200 0.002 0.000 0.884 210 S HN 0.567 nan 8.310 nan 0.000 0.506 211 L N 3.536 124.803 121.223 0.074 0.000 2.627 211 L HA 0.147 4.486 4.340 -0.001 0.000 0.233 211 L C 2.040 178.954 176.870 0.074 0.000 1.144 211 L CA 0.499 55.399 54.840 0.100 0.000 0.892 211 L CB -0.478 41.652 42.059 0.119 0.000 1.039 211 L HN 0.888 nan 8.230 nan 0.000 0.442 212 E N -0.145 120.091 120.200 0.060 0.000 2.290 212 E HA -0.078 4.271 4.350 -0.001 0.000 0.199 212 E C 0.611 177.239 176.600 0.046 0.000 0.912 212 E CA 0.705 57.132 56.400 0.045 0.000 0.924 212 E CB 0.228 29.949 29.700 0.034 0.000 0.901 212 E HN 0.370 nan 8.360 nan 0.000 0.487 213 D N -1.350 119.085 120.400 0.058 0.000 2.562 213 D HA 0.055 4.695 4.640 -0.001 0.000 0.246 213 D C -0.044 176.333 176.300 0.128 0.000 1.347 213 D CA -0.254 53.785 54.000 0.065 0.000 0.800 213 D CB -0.424 40.400 40.800 0.040 0.000 1.111 213 D HN 0.225 nan 8.370 nan 0.000 0.508 214 H N 0.066 119.124 119.070 -0.019 0.000 3.366 214 H HA -0.210 4.345 4.556 -0.001 0.000 0.233 214 H C -0.434 174.869 175.328 -0.042 0.000 1.102 214 H CA 0.595 56.622 56.048 -0.034 0.000 1.184 214 H CB -1.891 27.849 29.762 -0.036 0.000 1.216 214 H HN 0.339 nan 8.280 nan 0.000 0.317 215 S N 0.178 115.873 115.700 -0.008 0.000 2.549 215 S HA 0.417 4.887 4.470 -0.001 0.000 0.279 215 S C -2.456 172.081 174.600 -0.105 0.000 1.321 215 S CA -1.028 57.142 58.200 -0.051 0.000 1.054 215 S CB 1.907 65.096 63.200 -0.018 0.000 0.899 215 S HN 0.182 nan 8.310 nan 0.000 0.497 216 P HA 0.111 nan 4.420 nan 0.000 0.264 216 P C -0.162 177.087 177.300 -0.084 0.000 1.193 216 P CA -0.091 62.930 63.100 -0.133 0.000 0.763 216 P CB 0.311 31.936 31.700 -0.125 0.000 0.810 217 L N 5.456 126.631 121.223 -0.081 0.000 2.476 217 L HA 0.167 4.507 4.340 -0.001 0.000 0.264 217 L C -1.774 175.086 176.870 -0.018 0.000 1.224 217 L CA -1.804 53.012 54.840 -0.040 0.000 0.821 217 L CB -0.488 41.552 42.059 -0.032 0.000 1.101 217 L HN 0.200 nan 8.230 nan 0.000 0.488 218 P HA -0.028 nan 4.420 nan 0.000 0.261 218 P C -0.212 177.109 177.300 0.036 0.000 1.173 218 P CA 0.475 63.586 63.100 0.019 0.000 0.760 218 P CB 0.206 31.922 31.700 0.027 0.000 0.783 219 N N 0.161 118.883 118.700 0.036 0.000 2.878 219 N HA -0.144 4.596 4.740 -0.001 0.000 0.247 219 N C -0.535 174.994 175.510 0.031 0.000 1.021 219 N CA 0.887 53.971 53.050 0.057 0.000 0.873 219 N CB -1.180 37.370 38.487 0.105 0.000 1.128 219 N HN 0.340 nan 8.380 nan 0.000 0.571 220 I N 1.515 122.075 120.570 -0.016 0.000 2.339 220 I HA 0.216 4.385 4.170 -0.001 0.000 0.290 220 I C 0.435 176.485 176.117 -0.110 0.000 0.994 220 I CA 0.070 61.314 61.300 -0.093 0.000 1.191 220 I CB 1.442 39.382 38.000 -0.100 0.000 1.343 220 I HN -0.179 nan 8.210 nan 0.000 0.458 221 T N 6.120 120.588 114.554 -0.142 0.000 2.788 221 T HA 0.516 4.865 4.350 -0.001 0.000 0.296 221 T C -0.370 174.270 174.700 -0.100 0.000 1.009 221 T CA -0.409 61.654 62.100 -0.061 0.000 0.949 221 T CB 1.678 70.552 68.868 0.010 0.000 0.946 221 T HN 0.393 nan 8.240 nan 0.000 0.453 222 V N 2.650 122.455 119.914 -0.183 0.000 3.007 222 V HA 1.017 5.136 4.120 -0.001 0.000 0.311 222 V C -0.379 175.276 176.094 -0.731 0.000 1.120 222 V CA -0.005 62.016 62.300 -0.464 0.000 0.980 222 V CB 1.998 33.587 31.823 -0.391 0.000 1.033 222 V HN 1.046 nan 8.190 nan 0.000 0.429 223 G N 3.019 110.951 108.800 -1.447 0.000 2.488 223 G HA2 0.318 4.278 3.960 -0.001 0.000 0.301 223 G HA3 0.318 4.278 3.960 -0.001 0.000 0.301 223 G C -1.895 172.305 174.900 -1.166 0.000 1.339 223 G CA -0.360 44.018 45.100 -1.203 0.000 0.803 223 G HN 0.784 nan 8.290 nan 0.000 0.482 224 D N -0.237 119.810 120.400 -0.588 0.000 2.210 224 D HA 0.255 4.895 4.640 -0.001 0.000 0.249 224 D C 1.582 177.714 176.300 -0.280 0.000 1.062 224 D CA -0.502 53.244 54.000 -0.425 0.000 0.891 224 D CB 1.573 42.173 40.800 -0.333 0.000 1.186 224 D HN 0.417 nan 8.370 nan 0.000 0.432 225 I N 0.256 120.558 120.570 -0.446 0.000 3.428 225 I HA 0.325 4.494 4.170 -0.001 0.000 0.286 225 I C 0.903 176.857 176.117 -0.272 0.000 1.287 225 I CA 0.037 60.984 61.300 -0.588 0.000 1.396 225 I CB -0.179 37.029 38.000 -1.321 0.000 1.062 225 I HN 0.497 nan 8.210 nan 0.000 0.471 226 G N 0.711 109.399 108.800 -0.186 0.000 2.423 226 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.684 226 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.684 226 G C -0.504 174.372 174.900 -0.040 0.000 1.309 226 G CA -0.496 44.558 45.100 -0.077 0.000 0.950 226 G HN 0.131 nan 8.290 nan 0.000 0.587 227 T N 1.486 116.044 114.554 0.008 0.000 2.916 227 T HA 0.481 4.830 4.350 -0.001 0.000 0.303 227 T C 0.693 175.446 174.700 0.090 0.000 1.025 227 T CA 0.418 62.545 62.100 0.045 0.000 1.142 227 T CB 0.748 69.642 68.868 0.043 0.000 0.947 227 T HN 0.619 nan 8.240 nan 0.000 0.544 228 K N 1.562 122.040 120.400 0.129 0.000 2.258 228 K HA 0.491 4.811 4.320 -0.001 0.000 0.236 228 K C 0.215 176.908 176.600 0.155 0.000 1.008 228 K CA -0.982 55.412 56.287 0.178 0.000 0.869 228 K CB 1.199 33.846 32.500 0.245 0.000 1.171 228 K HN 0.578 nan 8.250 nan 0.000 0.447 229 M N 1.610 121.300 119.600 0.151 0.000 2.286 229 M HA 0.044 4.524 4.480 -0.001 0.000 0.365 229 M C 0.087 176.478 176.300 0.151 0.000 1.443 229 M CA 1.550 56.931 55.300 0.136 0.000 0.951 229 M CB -0.602 32.063 32.600 0.109 0.000 1.961 229 M HN 0.778 nan 8.290 nan 0.000 0.468 230 G N 4.050 112.944 108.800 0.156 0.000 2.692 230 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.686 230 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.686 230 G C -1.108 173.895 174.900 0.172 0.000 1.243 230 G CA -0.851 44.359 45.100 0.184 0.000 0.782 230 G HN 0.882 nan 8.290 nan 0.000 0.625 231 N N 1.676 120.496 118.700 0.200 0.000 2.411 231 N HA 0.510 5.249 4.740 -0.001 0.000 0.259 231 N C 1.236 176.861 175.510 0.192 0.000 1.103 231 N CA 1.402 54.509 53.050 0.096 0.000 0.954 231 N CB 1.172 39.598 38.487 -0.102 0.000 1.085 231 N HN 2.017 nan 8.380 nan 0.000 0.485 232 G N 2.241 111.106 108.800 0.109 0.000 2.588 232 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.273 232 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.273 232 G C 0.390 175.399 174.900 0.182 0.000 1.211 232 G CA 0.665 45.854 45.100 0.148 0.000 0.958 232 G HN 1.193 nan 8.290 nan 0.000 0.543 233 A N -1.954 120.990 122.820 0.205 0.000 5.308 233 A HA -0.279 4.040 4.320 -0.001 0.000 0.321 233 A C 1.328 179.001 177.584 0.149 0.000 1.849 233 A CA 2.937 55.083 52.037 0.182 0.000 0.713 233 A CB -1.482 17.657 19.000 0.230 0.000 1.360 233 A HN 2.165 nan 8.150 nan 0.000 0.384 234 Y N 1.888 122.250 120.300 0.104 0.000 2.529 234 Y HA 0.068 4.617 4.550 -0.001 0.000 0.290 234 Y C 2.077 178.053 175.900 0.127 0.000 1.177 234 Y CA 1.084 59.252 58.100 0.112 0.000 1.305 234 Y CB 0.034 38.567 38.460 0.122 0.000 1.047 234 Y HN 0.498 nan 8.280 nan 0.000 0.522 235 N N -0.868 117.966 118.700 0.224 0.000 2.550 235 N HA -0.100 4.640 4.740 -0.001 0.000 0.186 235 N C 1.657 177.271 175.510 0.173 0.000 1.110 235 N CA 1.108 54.264 53.050 0.176 0.000 0.912 235 N CB 0.001 38.569 38.487 0.134 0.000 0.968 235 N HN 0.365 nan 8.380 nan 0.000 0.448 236 S N -0.623 115.170 115.700 0.155 0.000 2.528 236 S HA 0.103 4.573 4.470 -0.001 0.000 0.219 236 S C 0.814 175.567 174.600 0.256 0.000 0.985 236 S CA -0.160 58.147 58.200 0.179 0.000 0.914 236 S CB 0.135 63.373 63.200 0.064 0.000 0.776 236 S HN 0.114 nan 8.310 nan 0.000 0.526 237 M N 4.301 124.024 119.600 0.204 0.000 2.188 237 M HA 0.255 4.735 4.480 -0.001 0.000 0.357 237 M C -1.127 175.327 176.300 0.256 0.000 1.204 237 M CA -0.672 54.770 55.300 0.236 0.000 1.095 237 M CB 0.932 33.656 32.600 0.206 0.000 1.604 237 M HN 0.155 nan 8.290 nan 0.000 0.464 238 D N 3.397 123.964 120.400 0.278 0.000 2.563 238 D HA 0.135 4.775 4.640 -0.001 0.000 0.222 238 D C -1.053 175.247 176.300 -0.000 0.000 1.145 238 D CA -0.198 53.830 54.000 0.047 0.000 1.001 238 D CB -0.913 39.881 40.800 -0.009 0.000 1.049 238 D HN 0.584 nan 8.370 nan 0.000 0.515 239 N N 0.459 119.160 118.700 0.002 0.000 2.497 239 N HA 0.478 5.217 4.740 -0.001 0.000 0.268 239 N C 0.389 175.728 175.510 -0.287 0.000 1.171 239 N CA 0.109 53.136 53.050 -0.039 0.000 0.948 239 N CB 1.418 39.948 38.487 0.071 0.000 1.069 239 N HN 0.522 nan 8.380 nan 0.000 0.460 240 G N 0.454 109.063 108.800 -0.318 0.000 3.105 240 G HA2 0.686 4.645 3.960 -0.001 0.000 0.277 240 G HA3 0.686 4.645 3.960 -0.001 0.000 0.277 240 G C -1.359 173.234 174.900 -0.512 0.000 1.375 240 G CA -0.725 44.065 45.100 -0.516 0.000 0.962 240 G HN 0.463 nan 8.290 nan 0.000 0.541 241 F N -1.689 117.985 119.950 -0.458 0.000 2.598 241 F HA 0.914 5.440 4.527 -0.001 0.000 0.327 241 F C -1.071 174.610 175.800 -0.199 0.000 1.057 241 F CA -1.913 55.904 58.000 -0.304 0.000 0.957 241 F CB 2.122 40.961 39.000 -0.269 0.000 1.278 241 F HN 0.518 nan 8.300 nan 0.000 0.484 242 L N 2.543 123.838 121.223 0.119 0.000 2.588 242 L HA 0.616 4.955 4.340 -0.001 0.000 0.263 242 L C -1.877 174.852 176.870 -0.234 0.000 0.935 242 L CA -0.770 53.976 54.840 -0.158 0.000 0.891 242 L CB 2.129 44.010 42.059 -0.297 0.000 1.318 242 L HN 0.849 nan 8.230 nan 0.000 0.409 243 M N 4.736 124.127 119.600 -0.348 0.000 2.464 243 M HA 0.561 5.041 4.480 -0.001 0.000 0.308 243 M C -1.571 174.422 176.300 -0.513 0.000 1.127 243 M CA -0.306 54.808 55.300 -0.310 0.000 0.913 243 M CB 2.243 34.782 32.600 -0.101 0.000 1.689 243 M HN 0.428 nan 8.290 nan 0.000 0.445 244 F N 0.441 120.344 119.950 -0.078 0.000 2.467 244 F HA 0.317 4.843 4.527 -0.001 0.000 0.336 244 F C 0.195 175.952 175.800 -0.072 0.000 1.123 244 F CA -0.930 57.035 58.000 -0.057 0.000 0.964 244 F CB 1.011 39.983 39.000 -0.047 0.000 1.136 244 F HN 0.417 nan 8.300 nan 0.000 0.447 245 D N 3.457 123.966 120.400 0.182 0.000 2.518 245 D HA 0.115 4.755 4.640 -0.001 0.000 0.230 245 D C 0.149 176.617 176.300 0.280 0.000 1.138 245 D CA -0.063 54.060 54.000 0.206 0.000 0.964 245 D CB -0.468 40.426 40.800 0.157 0.000 1.011 245 D HN 0.568 nan 8.370 nan 0.000 0.517 246 H N 0.709 120.061 119.070 0.470 0.000 2.677 246 H HA -0.149 4.406 4.556 -0.001 0.000 0.321 246 H C -0.139 175.258 175.328 0.115 0.000 1.171 246 H CA 0.223 56.357 56.048 0.144 0.000 1.139 246 H CB -1.791 27.944 29.762 -0.044 0.000 1.515 246 H HN 0.151 nan 8.280 nan 0.000 0.423 247 V N 1.181 121.224 119.914 0.215 0.000 2.715 247 V HA 0.100 4.220 4.120 -0.001 0.000 0.299 247 V C 1.248 177.399 176.094 0.094 0.000 1.054 247 V CA 0.303 62.700 62.300 0.163 0.000 1.077 247 V CB 1.253 33.214 31.823 0.229 0.000 0.972 247 V HN 0.292 nan 8.190 nan 0.000 0.484 248 R N 4.748 125.300 120.500 0.086 0.000 2.514 248 R HA 0.766 5.106 4.340 -0.001 0.000 0.301 248 R C -0.702 175.646 176.300 0.080 0.000 0.962 248 R CA -0.545 55.597 56.100 0.071 0.000 0.882 248 R CB 1.793 32.128 30.300 0.058 0.000 1.143 248 R HN 0.796 nan 8.270 nan 0.000 0.452 249 I N -1.146 119.485 120.570 0.101 0.000 2.865 249 I HA 0.607 4.776 4.170 -0.001 0.000 0.302 249 I C -2.781 173.438 176.117 0.169 0.000 1.140 249 I CA -3.353 58.028 61.300 0.135 0.000 1.021 249 I CB 2.613 40.694 38.000 0.136 0.000 1.233 249 I HN 0.285 nan 8.210 nan 0.000 0.427 250 P HA 0.110 nan 4.420 nan 0.000 0.266 250 P C 0.245 177.682 177.300 0.228 0.000 1.195 250 P CA -0.128 63.067 63.100 0.158 0.000 0.768 250 P CB 0.650 32.449 31.700 0.165 0.000 0.838 251 R N 3.577 124.163 120.500 0.144 0.000 2.139 251 R HA -0.193 4.146 4.340 -0.001 0.000 0.243 251 R C 1.231 177.709 176.300 0.296 0.000 1.145 251 R CA 1.984 58.194 56.100 0.182 0.000 0.976 251 R CB -0.415 29.851 30.300 -0.056 0.000 0.866 251 R HN 0.551 nan 8.270 nan 0.000 0.449 252 D N -0.422 120.096 120.400 0.197 0.000 2.363 252 D HA -0.146 4.493 4.640 -0.001 0.000 0.226 252 D C 0.904 177.328 176.300 0.206 0.000 1.020 252 D CA 0.592 54.698 54.000 0.176 0.000 0.892 252 D CB -0.085 40.799 40.800 0.141 0.000 0.900 252 D HN 0.381 nan 8.370 nan 0.000 0.531 253 Q N -0.456 119.486 119.800 0.236 0.000 2.365 253 Q HA 0.159 4.499 4.340 -0.001 0.000 0.203 253 Q C 0.527 176.542 176.000 0.025 0.000 0.929 253 Q CA -0.251 55.650 55.803 0.163 0.000 0.948 253 Q CB 0.268 29.118 28.738 0.187 0.000 1.043 253 Q HN 0.343 nan 8.270 nan 0.000 0.505 254 M N 1.455 121.078 119.600 0.037 0.000 2.108 254 M HA 0.212 4.691 4.480 -0.001 0.000 0.354 254 M C -0.962 175.168 176.300 -0.283 0.000 1.229 254 M CA -0.419 54.710 55.300 -0.286 0.000 1.081 254 M CB 0.555 32.992 32.600 -0.272 0.000 1.606 254 M HN 0.033 nan 8.290 nan 0.000 0.467 255 L N 7.091 128.073 121.223 -0.402 0.000 2.654 255 L HA 0.020 4.359 4.340 -0.001 0.000 0.271 255 L C 0.094 176.844 176.870 -0.200 0.000 1.169 255 L CA 0.709 55.392 54.840 -0.261 0.000 0.947 255 L CB -0.187 41.706 42.059 -0.276 0.000 1.232 255 L HN 0.810 nan 8.230 nan 0.000 0.486 256 M N 4.423 123.952 119.600 -0.119 0.000 3.136 256 M HA 0.193 4.672 4.480 -0.001 0.000 0.240 256 M C 1.023 177.279 176.300 -0.073 0.000 1.138 256 M CA -0.020 55.224 55.300 -0.094 0.000 0.866 256 M CB 0.702 33.259 32.600 -0.073 0.000 1.340 256 M HN 0.558 nan 8.290 nan 0.000 0.539 257 R N 0.981 121.438 120.500 -0.071 0.000 2.128 257 R HA 0.156 4.495 4.340 -0.001 0.000 0.211 257 R C 1.145 177.407 176.300 -0.064 0.000 1.067 257 R CA 1.019 57.083 56.100 -0.060 0.000 1.010 257 R CB 0.509 30.774 30.300 -0.058 0.000 0.922 257 R HN 0.494 nan 8.270 nan 0.000 0.457 258 L N -0.303 120.882 121.223 -0.065 0.000 2.701 258 L HA 0.343 4.682 4.340 -0.001 0.000 0.238 258 L C -0.202 176.628 176.870 -0.065 0.000 1.106 258 L CA -0.070 54.732 54.840 -0.062 0.000 0.898 258 L CB 1.119 43.139 42.059 -0.066 0.000 1.188 258 L HN -0.066 nan 8.230 nan 0.000 0.508 259 S N 0.059 115.712 115.700 -0.079 0.000 2.614 259 S HA 0.551 5.021 4.470 -0.001 0.000 0.275 259 S C -0.820 173.638 174.600 -0.236 0.000 1.161 259 S CA -0.791 57.298 58.200 -0.184 0.000 0.969 259 S CB 2.649 65.879 63.200 0.050 0.000 1.059 259 S HN -0.050 nan 8.310 nan 0.000 0.482 260 K N 1.046 121.239 120.400 -0.346 0.000 2.238 260 K HA 0.821 5.140 4.320 -0.001 0.000 0.239 260 K C -1.093 175.356 176.600 -0.251 0.000 0.987 260 K CA -0.782 55.368 56.287 -0.228 0.000 0.857 260 K CB 1.535 33.936 32.500 -0.165 0.000 1.154 260 K HN 0.347 nan 8.250 nan 0.000 0.439 261 V N 1.864 121.725 119.914 -0.090 0.000 2.501 261 V HA 0.187 4.307 4.120 -0.001 0.000 0.277 261 V C -0.210 175.869 176.094 -0.024 0.000 1.004 261 V CA -0.936 61.349 62.300 -0.024 0.000 0.862 261 V CB 1.077 32.994 31.823 0.156 0.000 1.035 261 V HN 1.013 nan 8.190 nan 0.000 0.448 262 T N 1.695 116.219 114.554 -0.050 0.000 2.716 262 T HA 0.053 4.402 4.350 -0.001 0.000 0.335 262 T C 1.325 175.998 174.700 -0.044 0.000 1.081 262 T CA 0.061 62.136 62.100 -0.042 0.000 1.073 262 T CB 0.696 69.540 68.868 -0.040 0.000 0.993 262 T HN 0.509 nan 8.240 nan 0.000 0.547 263 R N 0.461 120.937 120.500 -0.040 0.000 2.193 263 R HA -0.052 4.288 4.340 -0.001 0.000 0.229 263 R C 1.846 178.115 176.300 -0.052 0.000 1.110 263 R CA 1.347 57.418 56.100 -0.048 0.000 0.988 263 R CB -0.172 30.108 30.300 -0.034 0.000 0.871 263 R HN 0.776 nan 8.270 nan 0.000 0.458 264 E N -0.746 119.430 120.200 -0.040 0.000 2.437 264 E HA 0.080 4.430 4.350 -0.001 0.000 0.189 264 E C 0.500 177.081 176.600 -0.031 0.000 1.054 264 E CA 0.256 56.636 56.400 -0.032 0.000 0.874 264 E CB 0.536 30.225 29.700 -0.019 0.000 1.011 264 E HN 0.433 nan 8.360 nan 0.000 0.474 265 G N 2.070 110.843 108.800 -0.045 0.000 2.147 265 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.244 265 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.244 265 G C -0.129 174.770 174.900 -0.001 0.000 1.005 265 G CA -0.132 44.948 45.100 -0.033 0.000 0.713 265 G HN 0.129 nan 8.290 nan 0.000 0.515 266 E N -0.495 119.698 120.200 -0.011 0.000 2.229 266 E HA 0.342 4.692 4.350 -0.001 0.000 0.283 266 E C -0.390 176.185 176.600 -0.042 0.000 1.030 266 E CA -0.796 55.601 56.400 -0.005 0.000 0.836 266 E CB 1.094 30.788 29.700 -0.009 0.000 1.068 266 E HN 0.337 nan 8.360 nan 0.000 0.401 267 Y N 3.184 123.348 120.300 -0.226 0.000 2.452 267 Y HA 0.217 4.767 4.550 -0.001 0.000 0.348 267 Y C -0.737 175.044 175.900 -0.198 0.000 0.985 267 Y CA -0.362 57.515 58.100 -0.371 0.000 1.214 267 Y CB 0.472 38.331 38.460 -1.002 0.000 1.136 267 Y HN 0.117 nan 8.280 nan 0.000 0.523 268 V N 9.210 128.797 119.914 -0.545 0.000 2.409 268 V HA 0.342 4.461 4.120 -0.001 0.000 0.290 268 V C -2.344 173.490 176.094 -0.434 0.000 1.017 268 V CA -2.166 59.922 62.300 -0.354 0.000 0.841 268 V CB 1.453 33.167 31.823 -0.182 0.000 1.003 268 V HN 0.708 nan 8.190 nan 0.000 0.426 269 P HA 0.159 nan 4.420 nan 0.000 0.268 269 P C 0.274 177.493 177.300 -0.135 0.000 1.205 269 P CA 0.287 63.261 63.100 -0.210 0.000 0.771 269 P CB 0.590 32.260 31.700 -0.051 0.000 0.858 270 S N 1.362 116.993 115.700 -0.114 0.000 2.640 270 S HA 0.089 4.559 4.470 -0.001 0.000 0.262 270 S C 0.956 175.529 174.600 -0.045 0.000 1.232 270 S CA -0.180 57.973 58.200 -0.078 0.000 0.988 270 S CB 0.322 63.478 63.200 -0.073 0.000 1.034 270 S HN 0.584 nan 8.310 nan 0.000 0.569 271 D N -0.648 119.732 120.400 -0.033 0.000 2.340 271 D HA 0.012 4.652 4.640 -0.001 0.000 0.220 271 D C 0.110 176.406 176.300 -0.006 0.000 1.039 271 D CA -0.031 53.960 54.000 -0.015 0.000 0.866 271 D CB -0.427 40.365 40.800 -0.013 0.000 0.913 271 D HN 0.249 nan 8.370 nan 0.000 0.523 272 V N 1.980 121.883 119.914 -0.018 0.000 2.461 272 V HA 0.233 4.353 4.120 -0.001 0.000 0.275 272 V C -2.079 174.004 176.094 -0.018 0.000 1.047 272 V CA -1.545 60.746 62.300 -0.015 0.000 0.955 272 V CB 1.050 32.853 31.823 -0.034 0.000 0.988 272 V HN -0.068 nan 8.190 nan 0.000 0.471 273 P HA 0.170 nan 4.420 nan 0.000 0.264 273 P C 0.894 178.107 177.300 -0.145 0.000 1.193 273 P CA 0.287 63.376 63.100 -0.018 0.000 0.763 273 P CB 0.520 32.300 31.700 0.133 0.000 0.810 274 K N 2.866 123.157 120.400 -0.182 0.000 2.103 274 K HA -0.245 4.074 4.320 -0.001 0.000 0.207 274 K C 1.772 178.089 176.600 -0.471 0.000 1.048 274 K CA 1.856 57.990 56.287 -0.254 0.000 0.930 274 K CB -1.533 30.856 32.500 -0.184 0.000 0.716 274 K HN 0.560 nan 8.250 nan 0.000 0.444 275 Q N -0.075 119.392 119.800 -0.554 0.000 2.439 275 Q HA 0.115 4.454 4.340 -0.001 0.000 0.211 275 Q C 1.246 176.954 176.000 -0.488 0.000 0.978 275 Q CA 0.681 56.078 55.803 -0.677 0.000 0.897 275 Q CB -0.254 27.950 28.738 -0.892 0.000 0.956 275 Q HN 0.566 nan 8.270 nan 0.000 0.483 276 L N 0.033 121.054 121.223 -0.337 0.000 2.855 276 L HA 0.034 4.374 4.340 -0.001 0.000 0.245 276 L C 0.586 177.345 176.870 -0.185 0.000 1.276 276 L CA -0.079 54.654 54.840 -0.177 0.000 1.118 276 L CB 0.181 42.188 42.059 -0.088 0.000 1.444 276 L HN 0.100 nan 8.230 nan 0.000 0.440 277 V N -2.428 117.311 119.914 -0.291 0.000 3.305 277 V HA -0.055 4.064 4.120 -0.001 0.000 0.247 277 V C 1.382 177.421 176.094 -0.092 0.000 1.426 277 V CA 0.083 62.259 62.300 -0.206 0.000 1.162 277 V CB 0.134 31.799 31.823 -0.263 0.000 0.961 277 V HN 0.287 nan 8.190 nan 0.000 0.449 278 Y N 1.663 121.935 120.300 -0.047 0.000 2.569 278 Y HA 0.009 4.559 4.550 -0.001 0.000 0.293 278 Y C 2.375 178.242 175.900 -0.055 0.000 1.144 278 Y CA 0.753 58.823 58.100 -0.050 0.000 1.321 278 Y CB -1.282 37.080 38.460 -0.163 0.000 0.982 278 Y HN 0.273 nan 8.280 nan 0.000 0.558 279 G N -0.407 108.442 108.800 0.081 0.000 2.432 279 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.219 279 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.219 279 G C 1.780 176.802 174.900 0.204 0.000 1.135 279 G CA 1.620 46.772 45.100 0.087 0.000 0.767 279 G HN 0.483 nan 8.290 nan 0.000 0.550 280 T N -1.718 112.923 114.554 0.145 0.000 2.851 280 T HA 0.082 4.432 4.350 -0.001 0.000 0.262 280 T C 2.417 177.218 174.700 0.168 0.000 1.043 280 T CA 0.890 63.081 62.100 0.153 0.000 1.140 280 T CB -0.216 68.702 68.868 0.084 0.000 0.872 280 T HN 0.168 nan 8.240 nan 0.000 0.446 281 M N 0.952 120.642 119.600 0.150 0.000 2.213 281 M HA -0.019 4.461 4.480 -0.001 0.000 0.263 281 M C 2.320 178.695 176.300 0.124 0.000 1.062 281 M CA 1.085 56.463 55.300 0.131 0.000 1.105 281 M CB -0.394 32.320 32.600 0.189 0.000 1.385 281 M HN 0.172 nan 8.290 nan 0.000 0.417 282 V N -0.902 119.100 119.914 0.148 0.000 2.626 282 V HA -0.260 3.859 4.120 -0.001 0.000 0.252 282 V C 1.927 178.095 176.094 0.123 0.000 1.067 282 V CA 1.501 63.878 62.300 0.128 0.000 1.081 282 V CB -0.919 30.981 31.823 0.127 0.000 0.686 282 V HN 0.432 nan 8.190 nan 0.000 0.468 283 Y N 0.689 120.955 120.300 -0.056 0.000 2.176 283 Y HA -0.104 4.445 4.550 -0.001 0.000 0.291 283 Y C 2.369 178.141 175.900 -0.213 0.000 1.122 283 Y CA 1.545 59.440 58.100 -0.343 0.000 1.128 283 Y CB -0.337 37.846 38.460 -0.463 0.000 1.005 283 Y HN 0.033 nan 8.280 nan 0.000 0.509 284 V N 1.123 120.971 119.914 -0.110 0.000 2.332 284 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 284 V C 2.325 178.327 176.094 -0.153 0.000 1.055 284 V CA 2.393 64.588 62.300 -0.175 0.000 1.038 284 V CB -0.669 31.105 31.823 -0.081 0.000 0.651 284 V HN 0.337 nan 8.190 nan 0.000 0.450 285 R N -0.483 119.971 120.500 -0.076 0.000 2.148 285 R HA -0.125 4.215 4.340 -0.001 0.000 0.223 285 R C 2.413 178.667 176.300 -0.076 0.000 1.088 285 R CA 0.929 57.006 56.100 -0.039 0.000 0.985 285 R CB -0.304 30.003 30.300 0.012 0.000 0.880 285 R HN 0.473 nan 8.270 nan 0.000 0.451 286 Q N 0.787 120.503 119.800 -0.140 0.000 2.123 286 Q HA -0.122 4.217 4.340 -0.001 0.000 0.199 286 Q C 1.897 177.767 176.000 -0.217 0.000 0.966 286 Q CA 2.221 57.928 55.803 -0.160 0.000 0.845 286 Q CB -0.056 28.562 28.738 -0.199 0.000 0.907 286 Q HN 0.410 nan 8.270 nan 0.000 0.439 287 T N -1.401 112.949 114.554 -0.340 0.000 2.821 287 T HA -0.056 4.293 4.350 -0.001 0.000 0.267 287 T C 2.097 176.713 174.700 -0.140 0.000 1.046 287 T CA 1.170 63.085 62.100 -0.308 0.000 1.139 287 T CB -0.426 68.194 68.868 -0.413 0.000 0.871 287 T HN 0.256 nan 8.240 nan 0.000 0.454 288 I N 1.039 121.558 120.570 -0.084 0.000 2.179 288 I HA -0.128 4.041 4.170 -0.001 0.000 0.242 288 I C 2.741 178.863 176.117 0.009 0.000 1.088 288 I CA 0.963 62.273 61.300 0.017 0.000 1.357 288 I CB -0.444 37.592 38.000 0.061 0.000 1.051 288 I HN 0.138 nan 8.210 nan 0.000 0.409 289 V N 1.130 121.023 119.914 -0.035 0.000 2.295 289 V HA -0.309 3.811 4.120 -0.001 0.000 0.246 289 V C 2.731 178.800 176.094 -0.042 0.000 1.049 289 V CA 2.037 64.307 62.300 -0.051 0.000 1.024 289 V CB -1.107 30.688 31.823 -0.047 0.000 0.648 289 V HN 0.506 nan 8.190 nan 0.000 0.447 290 A N -0.662 122.119 122.820 -0.065 0.000 1.933 290 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 290 A C 2.119 179.675 177.584 -0.046 0.000 1.175 290 A CA 1.945 53.928 52.037 -0.090 0.000 0.628 290 A CB -0.592 18.326 19.000 -0.135 0.000 0.814 290 A HN 0.537 nan 8.150 nan 0.000 0.444 291 D N -0.162 120.244 120.400 0.009 0.000 2.178 291 D HA -0.043 4.596 4.640 -0.001 0.000 0.202 291 D C 2.241 178.641 176.300 0.167 0.000 0.974 291 D CA 1.182 55.243 54.000 0.101 0.000 0.841 291 D CB -0.118 40.772 40.800 0.150 0.000 0.953 291 D HN 0.397 nan 8.370 nan 0.000 0.478 292 A N 0.959 123.872 122.820 0.155 0.000 1.883 292 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 292 A C 2.394 180.044 177.584 0.111 0.000 1.186 292 A CA 2.672 54.793 52.037 0.140 0.000 0.624 292 A CB -0.751 18.294 19.000 0.075 0.000 0.822 292 A HN 0.361 nan 8.150 nan 0.000 0.444 293 S N 0.255 116.023 115.700 0.113 0.000 2.382 293 S HA -0.202 4.268 4.470 -0.001 0.000 0.228 293 S C 1.793 176.479 174.600 0.143 0.000 1.027 293 S CA 1.285 59.551 58.200 0.110 0.000 0.991 293 S CB -0.704 62.445 63.200 -0.086 0.000 0.823 293 S HN 0.586 nan 8.310 nan 0.000 0.469 294 N N 2.767 121.545 118.700 0.129 0.000 2.025 294 N HA -0.034 4.706 4.740 -0.001 0.000 0.194 294 N C 2.119 177.720 175.510 0.151 0.000 1.044 294 N CA 1.800 54.990 53.050 0.234 0.000 0.851 294 N CB -1.034 37.595 38.487 0.236 0.000 1.036 294 N HN 0.602 nan 8.380 nan 0.000 0.422 295 A N 1.134 123.983 122.820 0.048 0.000 1.902 295 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 295 A C 2.271 179.778 177.584 -0.128 0.000 1.181 295 A CA 1.039 53.024 52.037 -0.087 0.000 0.623 295 A CB -0.751 18.082 19.000 -0.278 0.000 0.818 295 A HN 0.242 nan 8.150 nan 0.000 0.443 296 L N 0.932 122.087 121.223 -0.112 0.000 2.017 296 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 296 L C 2.798 179.637 176.870 -0.052 0.000 1.073 296 L CA 2.839 57.640 54.840 -0.064 0.000 0.745 296 L CB -0.785 41.282 42.059 0.014 0.000 0.894 296 L HN 0.521 nan 8.230 nan 0.000 0.432 297 S N -0.839 114.785 115.700 -0.126 0.000 2.400 297 S HA -0.235 4.235 4.470 -0.001 0.000 0.232 297 S C 2.102 176.648 174.600 -0.090 0.000 1.025 297 S CA 1.139 59.062 58.200 -0.461 0.000 0.993 297 S CB -0.628 61.777 63.200 -1.326 0.000 0.808 297 S HN 0.523 nan 8.310 nan 0.000 0.478 298 R N 1.516 122.039 120.500 0.039 0.000 2.066 298 R HA 0.112 4.451 4.340 -0.001 0.000 0.232 298 R C 2.859 179.187 176.300 0.046 0.000 1.131 298 R CA 1.320 57.444 56.100 0.040 0.000 0.955 298 R CB -0.852 29.328 30.300 -0.201 0.000 0.851 298 R HN 0.552 nan 8.270 nan 0.000 0.432 299 A N 0.694 123.516 122.820 0.003 0.000 1.877 299 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 299 A C 2.363 179.989 177.584 0.070 0.000 1.186 299 A CA 1.486 53.532 52.037 0.014 0.000 0.620 299 A CB -0.634 18.366 19.000 0.001 0.000 0.822 299 A HN 0.128 nan 8.150 nan 0.000 0.443 300 V N -0.980 118.998 119.914 0.106 0.000 2.407 300 V HA -0.300 3.819 4.120 -0.001 0.000 0.248 300 V C 2.685 178.908 176.094 0.214 0.000 1.055 300 V CA 1.866 64.262 62.300 0.160 0.000 1.049 300 V CB -1.059 30.884 31.823 0.199 0.000 0.662 300 V HN 0.822 nan 8.190 nan 0.000 0.455 301 C N -0.048 119.434 119.300 0.303 0.000 2.429 301 C HA -0.150 4.310 4.460 -0.001 0.000 0.277 301 C C 2.546 177.642 174.990 0.177 0.000 1.262 301 C CA 1.153 60.349 59.018 0.296 0.000 1.733 301 C CB -0.944 27.081 27.740 0.475 0.000 2.010 301 C HN 0.559 nan 8.230 nan 0.000 0.483 302 I N 1.475 122.129 120.570 0.140 0.000 2.142 302 I HA -0.133 4.036 4.170 -0.001 0.000 0.240 302 I C 2.913 179.095 176.117 0.108 0.000 1.078 302 I CA 1.746 63.099 61.300 0.088 0.000 1.343 302 I CB -0.661 37.352 38.000 0.021 0.000 1.046 302 I HN 0.399 nan 8.210 nan 0.000 0.405 303 A N 0.222 123.104 122.820 0.104 0.000 1.930 303 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 303 A C 2.372 180.037 177.584 0.135 0.000 1.175 303 A CA 2.289 54.402 52.037 0.125 0.000 0.627 303 A CB -1.015 18.038 19.000 0.089 0.000 0.815 303 A HN 0.392 nan 8.150 nan 0.000 0.443 304 T N -0.283 114.343 114.554 0.121 0.000 2.737 304 T HA -0.127 4.222 4.350 -0.001 0.000 0.265 304 T C 2.098 176.840 174.700 0.071 0.000 1.038 304 T CA 1.571 63.734 62.100 0.106 0.000 1.144 304 T CB -0.215 68.716 68.868 0.106 0.000 0.866 304 T HN 0.520 nan 8.240 nan 0.000 0.434 305 R N -0.247 120.296 120.500 0.070 0.000 2.073 305 R HA -0.065 4.274 4.340 -0.001 0.000 0.234 305 R C 2.344 178.672 176.300 0.047 0.000 1.134 305 R CA 1.425 57.546 56.100 0.034 0.000 0.952 305 R CB -0.533 29.787 30.300 0.034 0.000 0.850 305 R HN 0.392 nan 8.270 nan 0.000 0.433 306 Y N 1.529 121.815 120.300 -0.024 0.000 2.274 306 Y HA -0.180 4.369 4.550 -0.001 0.000 0.290 306 Y C 2.206 178.093 175.900 -0.021 0.000 1.145 306 Y CA 1.345 59.425 58.100 -0.033 0.000 1.203 306 Y CB -0.075 38.379 38.460 -0.009 0.000 0.984 306 Y HN -0.057 nan 8.280 nan 0.000 0.533 307 S N -0.215 115.465 115.700 -0.033 0.000 2.423 307 S HA -0.109 4.361 4.470 -0.001 0.000 0.231 307 S C 2.132 176.640 174.600 -0.154 0.000 1.014 307 S CA 0.852 58.989 58.200 -0.106 0.000 0.965 307 S CB -0.478 62.711 63.200 -0.018 0.000 0.785 307 S HN 0.601 nan 8.310 nan 0.000 0.495 308 A N 0.436 123.185 122.820 -0.119 0.000 2.072 308 A HA 0.172 4.491 4.320 -0.001 0.000 0.216 308 A C 2.115 179.609 177.584 -0.151 0.000 1.156 308 A CA 0.590 52.560 52.037 -0.112 0.000 0.701 308 A CB -0.230 18.728 19.000 -0.070 0.000 0.816 308 A HN 0.346 nan 8.150 nan 0.000 0.458 309 V N -0.189 119.595 119.914 -0.216 0.000 2.426 309 V HA 0.033 4.153 4.120 -0.001 0.000 0.242 309 V C 1.352 177.271 176.094 -0.291 0.000 1.036 309 V CA 0.922 63.077 62.300 -0.243 0.000 1.044 309 V CB -0.556 31.098 31.823 -0.282 0.000 0.688 309 V HN 0.541 nan 8.190 nan 0.000 0.462 310 R N 1.961 122.165 120.500 -0.494 0.000 2.449 310 R HA 0.164 4.503 4.340 -0.001 0.000 0.296 310 R C -0.193 176.000 176.300 -0.178 0.000 1.047 310 R CA 0.526 56.392 56.100 -0.391 0.000 1.018 310 R CB -0.025 29.846 30.300 -0.716 0.000 0.962 310 R HN 0.358 nan 8.270 nan 0.000 0.428 311 R N 3.200 123.661 120.500 -0.066 0.000 2.599 311 R HA 0.400 4.739 4.340 -0.001 0.000 0.295 311 R C -1.095 175.200 176.300 -0.009 0.000 0.963 311 R CA -0.952 55.117 56.100 -0.051 0.000 0.883 311 R CB 1.984 32.255 30.300 -0.049 0.000 1.171 311 R HN 0.498 nan 8.270 nan 0.000 0.450 312 Q N 2.578 122.408 119.800 0.050 0.000 2.364 312 Q HA 0.363 4.703 4.340 -0.001 0.000 0.257 312 Q C -1.486 174.673 176.000 0.266 0.000 0.956 312 Q CA -0.350 55.476 55.803 0.040 0.000 0.924 312 Q CB 0.755 29.546 28.738 0.089 0.000 1.413 312 Q HN 0.541 nan 8.270 nan 0.000 0.418 313 F N 1.121 121.122 119.950 0.084 0.000 2.183 313 F HA -0.106 4.420 4.527 -0.001 0.000 0.318 313 F C 1.351 177.225 175.800 0.123 0.000 0.132 313 F CA 1.333 59.390 58.000 0.095 0.000 0.912 313 F CB -0.875 38.174 39.000 0.082 0.000 4.135 313 F HN 0.928 nan 8.300 nan 0.000 0.137 314 G N -0.192 108.832 108.800 0.374 0.000 2.249 314 G HA2 0.137 4.096 3.960 -0.001 0.000 0.273 314 G HA3 0.137 4.096 3.960 -0.001 0.000 0.273 314 G C -0.063 174.868 174.900 0.051 0.000 1.036 314 G CA 0.292 45.531 45.100 0.231 0.000 0.824 314 G HN 1.908 nan 8.290 nan 0.000 0.504 315 A N -0.436 122.461 122.820 0.130 0.000 2.451 315 A HA 0.639 4.958 4.320 -0.001 0.000 0.266 315 A C 0.857 178.585 177.584 0.240 0.000 1.119 315 A CA 0.904 52.993 52.037 0.087 0.000 0.786 315 A CB 0.156 19.199 19.000 0.071 0.000 1.061 315 A HN 0.694 nan 8.150 nan 0.000 0.503 316 H N 1.985 121.075 119.070 0.034 0.000 2.356 316 H HA 0.066 4.621 4.556 -0.001 0.000 0.306 316 H C 0.321 175.659 175.328 0.017 0.000 1.142 316 H CA -0.217 55.847 56.048 0.026 0.000 1.673 316 H CB 0.101 29.877 29.762 0.022 0.000 1.505 316 H HN 0.698 nan 8.280 nan 0.000 0.638 317 N N 2.042 120.840 118.700 0.164 0.000 3.085 317 N HA 0.022 4.761 4.740 -0.001 0.000 0.313 317 N C 0.168 175.710 175.510 0.053 0.000 1.277 317 N CA 0.812 53.911 53.050 0.082 0.000 1.150 317 N CB -0.332 38.190 38.487 0.059 0.000 1.437 317 N HN 0.610 nan 8.380 nan 0.000 0.558 318 G N -0.108 108.725 108.800 0.055 0.000 2.438 318 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.272 318 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.272 318 G C 0.967 175.883 174.900 0.026 0.000 0.991 318 G CA 0.463 45.585 45.100 0.035 0.000 1.348 318 G HN 0.857 nan 8.290 nan 0.000 0.483 319 G N -0.164 108.653 108.800 0.028 0.000 2.258 319 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.233 319 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.233 319 G C 0.546 175.446 174.900 0.001 0.000 1.006 319 G CA 0.196 45.301 45.100 0.010 0.000 0.620 319 G HN 1.408 nan 8.290 nan 0.000 0.511 320 I N 2.936 123.509 120.570 0.006 0.000 2.471 320 I HA 0.218 4.388 4.170 -0.001 0.000 0.294 320 I C 0.838 176.925 176.117 -0.049 0.000 1.123 320 I CA 0.031 61.321 61.300 -0.017 0.000 1.336 320 I CB -0.517 37.476 38.000 -0.011 0.000 1.430 320 I HN 0.320 nan 8.210 nan 0.000 0.533 321 E N 4.000 124.169 120.200 -0.051 0.000 2.374 321 E HA 0.216 4.566 4.350 -0.001 0.000 0.260 321 E C 0.049 176.581 176.600 -0.114 0.000 1.101 321 E CA -0.360 56.003 56.400 -0.063 0.000 0.907 321 E CB 0.909 30.587 29.700 -0.036 0.000 1.014 321 E HN 0.437 nan 8.360 nan 0.000 0.427 322 T N 2.540 117.011 114.554 -0.139 0.000 2.907 322 T HA 0.055 4.404 4.350 -0.001 0.000 0.298 322 T C -0.036 174.510 174.700 -0.256 0.000 1.017 322 T CA -0.457 61.499 62.100 -0.240 0.000 1.118 322 T CB 0.603 69.279 68.868 -0.321 0.000 0.948 322 T HN 0.323 nan 8.240 nan 0.000 0.531 323 Q N 1.505 121.147 119.800 -0.265 0.000 2.300 323 Q HA 0.098 4.437 4.340 -0.001 0.000 0.280 323 Q C 1.723 177.500 176.000 -0.371 0.000 1.033 323 Q CA -0.421 55.236 55.803 -0.243 0.000 0.903 323 Q CB 0.717 29.341 28.738 -0.190 0.000 1.195 323 Q HN 0.684 nan 8.270 nan 0.000 0.386 324 V N 1.277 121.041 119.914 -0.250 0.000 2.568 324 V HA -0.241 3.878 4.120 -0.001 0.000 0.253 324 V C 1.566 177.533 176.094 -0.211 0.000 1.072 324 V CA 1.747 63.935 62.300 -0.186 0.000 1.084 324 V CB -0.680 31.168 31.823 0.041 0.000 0.676 324 V HN 0.901 nan 8.190 nan 0.000 0.469 325 I N 0.669 121.123 120.570 -0.194 0.000 2.916 325 I HA -0.157 4.013 4.170 -0.001 0.000 0.267 325 I C 1.707 177.708 176.117 -0.193 0.000 1.263 325 I CA 1.407 62.610 61.300 -0.161 0.000 1.471 325 I CB -0.194 37.761 38.000 -0.076 0.000 1.089 325 I HN 0.302 nan 8.210 nan 0.000 0.468 326 D N -0.231 119.997 120.400 -0.286 0.000 2.323 326 D HA -0.031 4.609 4.640 -0.001 0.000 0.209 326 D C 0.029 176.209 176.300 -0.201 0.000 0.973 326 D CA 0.618 54.466 54.000 -0.254 0.000 0.874 326 D CB -0.037 40.564 40.800 -0.333 0.000 0.930 326 D HN 0.321 nan 8.370 nan 0.000 0.521 327 Y N 0.963 121.206 120.300 -0.095 0.000 2.335 327 Y HA 0.065 4.614 4.550 -0.001 0.000 0.331 327 Y C 1.740 177.547 175.900 -0.154 0.000 1.094 327 Y CA -0.894 57.148 58.100 -0.098 0.000 1.253 327 Y CB 1.044 39.452 38.460 -0.087 0.000 1.203 327 Y HN -0.356 nan 8.280 nan 0.000 0.508 328 K N 1.109 121.545 120.400 0.060 0.000 2.152 328 K HA -0.145 4.174 4.320 -0.001 0.000 0.206 328 K C 1.910 178.442 176.600 -0.114 0.000 1.048 328 K CA 1.873 58.139 56.287 -0.035 0.000 0.933 328 K CB -0.540 31.984 32.500 0.039 0.000 0.721 328 K HN 0.848 nan 8.250 nan 0.000 0.447 329 T N -1.202 113.310 114.554 -0.070 0.000 2.777 329 T HA -0.171 4.178 4.350 -0.001 0.000 0.266 329 T C 2.038 176.648 174.700 -0.150 0.000 1.040 329 T CA 1.140 63.184 62.100 -0.094 0.000 1.141 329 T CB -0.142 68.679 68.868 -0.078 0.000 0.868 329 T HN 0.050 nan 8.240 nan 0.000 0.444 330 Q N 1.386 121.106 119.800 -0.135 0.000 2.079 330 Q HA -0.069 4.270 4.340 -0.001 0.000 0.200 330 Q C 2.468 178.206 176.000 -0.436 0.000 0.974 330 Q CA 1.621 57.311 55.803 -0.188 0.000 0.840 330 Q CB -0.399 28.277 28.738 -0.103 0.000 0.898 330 Q HN 0.729 nan 8.270 nan 0.000 0.430 331 Q N -0.513 118.891 119.800 -0.659 0.000 2.079 331 Q HA -0.144 4.196 4.340 -0.001 0.000 0.200 331 Q C 1.757 177.017 176.000 -1.233 0.000 0.974 331 Q CA 1.328 56.325 55.803 -1.343 0.000 0.840 331 Q CB -0.217 27.758 28.738 -1.272 0.000 0.898 331 Q HN 0.371 nan 8.270 nan 0.000 0.430 332 N N 0.591 118.795 118.700 -0.828 0.000 2.381 332 N HA -0.109 4.630 4.740 -0.001 0.000 0.182 332 N C 1.330 176.664 175.510 -0.293 0.000 1.025 332 N CA 0.889 53.630 53.050 -0.514 0.000 0.888 332 N CB 0.224 38.649 38.487 -0.102 0.000 0.965 332 N HN 0.111 nan 8.380 nan 0.000 0.438 333 R N -1.084 119.245 120.500 -0.285 0.000 2.128 333 R HA 0.148 4.487 4.340 -0.001 0.000 0.211 333 R C 1.600 177.795 176.300 -0.176 0.000 1.067 333 R CA 0.459 56.458 56.100 -0.168 0.000 1.010 333 R CB -0.076 30.161 30.300 -0.105 0.000 0.922 333 R HN 0.171 nan 8.270 nan 0.000 0.457 334 L N -0.351 120.735 121.223 -0.229 0.000 2.200 334 L HA 0.176 4.516 4.340 -0.001 0.000 0.200 334 L C 1.678 178.586 176.870 0.064 0.000 1.072 334 L CA 1.377 56.163 54.840 -0.091 0.000 0.787 334 L CB -0.267 41.737 42.059 -0.091 0.000 0.957 334 L HN 0.056 nan 8.230 nan 0.000 0.459 335 F N 0.321 120.137 119.950 -0.223 0.000 2.161 335 F HA -0.144 4.383 4.527 -0.001 0.000 0.300 335 F C -0.225 175.521 175.800 -0.090 0.000 1.089 335 F CA 0.585 58.495 58.000 -0.150 0.000 1.282 335 F CB -1.466 37.411 39.000 -0.205 0.000 1.010 335 F HN 0.242 nan 8.300 nan 0.000 0.485 336 P HA -0.140 nan 4.420 nan 0.000 0.219 336 P C 1.590 178.854 177.300 -0.061 0.000 1.150 336 P CA 1.258 64.248 63.100 -0.183 0.000 0.814 336 P CB -0.024 31.098 31.700 -0.965 0.000 0.787 337 L N -1.664 119.531 121.223 -0.046 0.000 2.109 337 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 337 L C 2.270 179.171 176.870 0.052 0.000 1.086 337 L CA 0.771 55.614 54.840 0.005 0.000 0.760 337 L CB -0.907 41.164 42.059 0.020 0.000 0.910 337 L HN 0.024 nan 8.230 nan 0.000 0.437 338 L N 0.562 121.852 121.223 0.112 0.000 2.027 338 L HA -0.092 4.247 4.340 -0.001 0.000 0.206 338 L C 2.638 179.620 176.870 0.188 0.000 1.074 338 L CA 2.015 56.959 54.840 0.174 0.000 0.745 338 L CB -0.741 41.396 42.059 0.129 0.000 0.898 338 L HN 0.109 nan 8.230 nan 0.000 0.433 339 A N -1.249 121.651 122.820 0.133 0.000 1.933 339 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 339 A C 2.373 180.020 177.584 0.105 0.000 1.175 339 A CA 1.990 54.134 52.037 0.179 0.000 0.628 339 A CB -0.974 18.156 19.000 0.217 0.000 0.814 339 A HN 0.552 nan 8.150 nan 0.000 0.444 340 S N -0.204 115.467 115.700 -0.047 0.000 2.402 340 S HA 0.014 4.483 4.470 -0.001 0.000 0.229 340 S C 2.268 176.414 174.600 -0.757 0.000 1.021 340 S CA 1.005 58.868 58.200 -0.561 0.000 0.974 340 S CB -0.408 62.495 63.200 -0.496 0.000 0.800 340 S HN 0.790 nan 8.310 nan 0.000 0.484 341 A N 0.717 123.387 122.820 -0.250 0.000 1.858 341 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 341 A C 1.895 179.450 177.584 -0.050 0.000 1.190 341 A CA 1.497 53.486 52.037 -0.080 0.000 0.617 341 A CB -0.987 18.041 19.000 0.047 0.000 0.827 341 A HN 0.524 nan 8.150 nan 0.000 0.443 342 Y N -0.137 120.097 120.300 -0.111 0.000 2.200 342 Y HA -0.045 4.505 4.550 -0.001 0.000 0.290 342 Y C 2.938 178.263 175.900 -0.958 0.000 1.137 342 Y CA 0.818 58.667 58.100 -0.419 0.000 1.163 342 Y CB -0.614 37.702 38.460 -0.241 0.000 0.988 342 Y HN 0.330 nan 8.280 nan 0.000 0.518 343 A N -0.025 122.441 122.820 -0.591 0.000 1.908 343 A HA -0.186 4.133 4.320 -0.001 0.000 0.218 343 A C 1.889 179.280 177.584 -0.323 0.000 1.181 343 A CA 1.797 53.406 52.037 -0.714 0.000 0.627 343 A CB -1.117 17.378 19.000 -0.843 0.000 0.818 343 A HN 0.395 nan 8.150 nan 0.000 0.445 344 F N -0.457 119.289 119.950 -0.340 0.000 2.259 344 F HA 0.016 4.542 4.527 -0.001 0.000 0.298 344 F C 2.275 177.911 175.800 -0.274 0.000 1.088 344 F CA 1.088 58.958 58.000 -0.217 0.000 1.358 344 F CB -0.955 37.974 39.000 -0.118 0.000 1.040 344 F HN 0.184 nan 8.300 nan 0.000 0.505 345 R N 0.365 120.691 120.500 -0.290 0.000 2.073 345 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 345 R C 2.213 178.321 176.300 -0.319 0.000 1.134 345 R CA 1.632 57.413 56.100 -0.533 0.000 0.952 345 R CB -1.132 28.523 30.300 -1.076 0.000 0.850 345 R HN 0.267 nan 8.270 nan 0.000 0.433 346 F N -1.218 118.584 119.950 -0.248 0.000 2.186 346 F HA -0.144 4.383 4.527 -0.001 0.000 0.299 346 F C 2.353 178.121 175.800 -0.053 0.000 1.090 346 F CA 0.621 58.507 58.000 -0.191 0.000 1.307 346 F CB -0.343 38.450 39.000 -0.345 0.000 1.019 346 F HN -0.064 nan 8.300 nan 0.000 0.489 347 V N 0.225 120.216 119.914 0.128 0.000 2.626 347 V HA -0.157 3.962 4.120 -0.001 0.000 0.252 347 V C 2.304 178.542 176.094 0.240 0.000 1.067 347 V CA 2.083 64.498 62.300 0.191 0.000 1.081 347 V CB -0.732 31.173 31.823 0.135 0.000 0.686 347 V HN 0.402 nan 8.190 nan 0.000 0.468 348 G N -1.208 107.659 108.800 0.110 0.000 2.421 348 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.217 348 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.217 348 G C 1.404 176.356 174.900 0.086 0.000 1.143 348 G CA 0.729 45.864 45.100 0.058 0.000 0.784 348 G HN 0.567 nan 8.290 nan 0.000 0.541 349 E N -0.690 119.579 120.200 0.115 0.000 2.077 349 E HA -0.145 4.205 4.350 -0.001 0.000 0.193 349 E C 2.007 178.741 176.600 0.223 0.000 0.989 349 E CA 0.873 57.355 56.400 0.136 0.000 0.800 349 E CB -0.214 29.578 29.700 0.154 0.000 0.746 349 E HN 0.613 nan 8.360 nan 0.000 0.452 350 W N 1.365 122.731 121.300 0.110 0.000 2.358 350 W HA -0.146 4.514 4.660 -0.001 0.000 0.303 350 W C 1.705 178.382 176.519 0.263 0.000 1.208 350 W CA 1.158 58.605 57.345 0.170 0.000 1.274 350 W CB -0.300 29.223 29.460 0.106 0.000 1.138 350 W HN -0.026 nan 8.180 nan 0.000 0.515 351 L N 0.986 122.302 121.223 0.156 0.000 2.187 351 L HA -0.234 4.105 4.340 -0.001 0.000 0.213 351 L C 2.462 179.290 176.870 -0.071 0.000 1.100 351 L CA 1.656 56.451 54.840 -0.075 0.000 0.765 351 L CB -0.760 41.349 42.059 0.083 0.000 0.904 351 L HN -0.021 nan 8.230 nan 0.000 0.437 352 K N -0.155 120.261 120.400 0.027 0.000 2.025 352 K HA -0.254 4.066 4.320 -0.001 0.000 0.207 352 K C 1.878 178.523 176.600 0.076 0.000 1.049 352 K CA 1.558 57.891 56.287 0.076 0.000 0.933 352 K CB -0.660 31.892 32.500 0.085 0.000 0.714 352 K HN 0.297 nan 8.250 nan 0.000 0.438 353 W N 0.756 121.986 121.300 -0.117 0.000 2.338 353 W HA -0.225 4.434 4.660 -0.001 0.000 0.304 353 W C 1.595 177.971 176.519 -0.239 0.000 1.212 353 W CA 1.691 58.946 57.345 -0.150 0.000 1.264 353 W CB -0.488 28.874 29.460 -0.164 0.000 1.142 353 W HN 0.239 nan 8.180 nan 0.000 0.512 354 L N 0.438 121.379 121.223 -0.470 0.000 2.046 354 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 354 L C 2.464 179.050 176.870 -0.473 0.000 1.077 354 L CA 2.379 56.798 54.840 -0.702 0.000 0.747 354 L CB -1.775 39.856 42.059 -0.714 0.000 0.896 354 L HN 0.303 nan 8.230 nan 0.000 0.432 355 Y N 0.254 120.349 120.300 -0.342 0.000 2.081 355 Y HA -0.300 4.250 4.550 -0.001 0.000 0.280 355 Y C 2.348 178.102 175.900 -0.244 0.000 1.163 355 Y CA 2.545 60.522 58.100 -0.205 0.000 1.135 355 Y CB -1.065 37.361 38.460 -0.056 0.000 0.970 355 Y HN 0.253 nan 8.280 nan 0.000 0.498 356 T N 0.013 114.257 114.554 -0.517 0.000 2.595 356 T HA -0.244 4.106 4.350 -0.001 0.000 0.264 356 T C 1.496 175.848 174.700 -0.580 0.000 1.058 356 T CA 1.744 63.493 62.100 -0.584 0.000 1.166 356 T CB -0.773 67.884 68.868 -0.350 0.000 0.863 356 T HN 0.507 nan 8.240 nan 0.000 0.415 357 D N 0.660 120.633 120.400 -0.713 0.000 2.126 357 D HA -0.141 4.498 4.640 -0.001 0.000 0.190 357 D C 2.020 178.055 176.300 -0.442 0.000 1.001 357 D CA 1.312 54.916 54.000 -0.661 0.000 0.841 357 D CB -0.313 39.835 40.800 -1.086 0.000 0.949 357 D HN 0.174 nan 8.370 nan 0.000 0.446 358 V N -0.239 119.416 119.914 -0.431 0.000 2.343 358 V HA -0.229 3.890 4.120 -0.001 0.000 0.247 358 V C 2.533 178.474 176.094 -0.255 0.000 1.051 358 V CA 2.091 64.225 62.300 -0.277 0.000 1.036 358 V CB -0.847 30.837 31.823 -0.231 0.000 0.654 358 V HN 0.324 nan 8.190 nan 0.000 0.451 359 T N -0.400 113.918 114.554 -0.393 0.000 2.746 359 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 359 T C 1.830 176.379 174.700 -0.251 0.000 1.039 359 T CA 1.415 63.294 62.100 -0.369 0.000 1.142 359 T CB -0.205 68.281 68.868 -0.636 0.000 0.866 359 T HN 0.537 nan 8.240 nan 0.000 0.444 360 E N 1.914 121.954 120.200 -0.268 0.000 2.005 360 E HA -0.184 4.165 4.350 -0.001 0.000 0.198 360 E C 2.453 178.971 176.600 -0.137 0.000 1.010 360 E CA 1.293 57.579 56.400 -0.190 0.000 0.825 360 E CB -0.481 29.102 29.700 -0.194 0.000 0.769 360 E HN 0.634 nan 8.360 nan 0.000 0.456 361 R N 0.828 121.246 120.500 -0.137 0.000 2.117 361 R HA -0.135 4.204 4.340 -0.001 0.000 0.243 361 R C 2.367 178.622 176.300 -0.074 0.000 1.143 361 R CA 1.311 57.349 56.100 -0.103 0.000 0.968 361 R CB -0.691 29.553 30.300 -0.093 0.000 0.863 361 R HN 0.046 nan 8.270 nan 0.000 0.444 362 L N 1.206 122.414 121.223 -0.025 0.000 2.191 362 L HA -0.026 4.314 4.340 -0.001 0.000 0.212 362 L C 2.535 179.452 176.870 0.079 0.000 1.103 362 L CA 1.810 56.716 54.840 0.111 0.000 0.769 362 L CB -0.497 41.608 42.059 0.077 0.000 0.908 362 L HN 0.404 nan 8.230 nan 0.000 0.438 363 A N -1.305 121.503 122.820 -0.020 0.000 2.167 363 A HA 0.228 4.547 4.320 -0.001 0.000 0.214 363 A C 1.944 179.503 177.584 -0.042 0.000 1.151 363 A CA 1.030 53.049 52.037 -0.030 0.000 0.735 363 A CB -0.486 18.476 19.000 -0.063 0.000 0.802 363 A HN 0.303 nan 8.150 nan 0.000 0.467 364 A N -1.464 121.312 122.820 -0.074 0.000 2.574 364 A HA 0.514 4.834 4.320 -0.001 0.000 0.283 364 A C 0.911 178.376 177.584 -0.198 0.000 1.270 364 A CA 0.626 52.598 52.037 -0.109 0.000 0.945 364 A CB -0.504 18.432 19.000 -0.106 0.000 1.127 364 A HN 0.710 nan 8.150 nan 0.000 0.522 365 S N 0.204 115.762 115.700 -0.236 0.000 3.473 365 S HA -0.184 4.285 4.470 -0.001 0.000 0.339 365 S C -0.095 173.801 174.600 -1.173 0.000 1.148 365 S CA 1.260 59.061 58.200 -0.665 0.000 0.969 365 S CB -1.208 61.779 63.200 -0.354 0.000 0.936 365 S HN 0.896 nan 8.310 nan 0.000 0.530 366 D N 0.325 120.304 120.400 -0.702 0.000 2.479 366 D HA 0.413 5.052 4.640 -0.001 0.000 0.218 366 D C 0.252 176.377 176.300 -0.292 0.000 1.131 366 D CA -0.573 53.147 54.000 -0.467 0.000 0.916 366 D CB -0.376 40.298 40.800 -0.210 0.000 1.022 366 D HN 0.398 nan 8.370 nan 0.000 0.515 367 F N 1.704 121.656 119.950 0.004 0.000 2.660 367 F HA 0.304 4.830 4.527 -0.001 0.000 0.297 367 F C 2.096 177.913 175.800 0.028 0.000 1.132 367 F CA -0.662 57.348 58.000 0.016 0.000 1.372 367 F CB 0.215 39.238 39.000 0.039 0.000 1.003 367 F HN 0.391 nan 8.300 nan 0.000 0.524 368 A N 0.664 123.548 122.820 0.107 0.000 1.933 368 A HA -0.204 4.116 4.320 -0.001 0.000 0.218 368 A C 2.264 179.917 177.584 0.115 0.000 1.175 368 A CA 2.272 54.366 52.037 0.095 0.000 0.628 368 A CB -1.008 18.021 19.000 0.048 0.000 0.814 368 A HN 0.395 nan 8.150 nan 0.000 0.444 369 T N -3.262 111.351 114.554 0.098 0.000 3.122 369 T HA 0.218 4.567 4.350 -0.001 0.000 0.250 369 T C 1.413 176.153 174.700 0.066 0.000 1.067 369 T CA 0.527 62.684 62.100 0.095 0.000 0.966 369 T CB -0.063 68.848 68.868 0.072 0.000 1.002 369 T HN 0.094 nan 8.240 nan 0.000 0.542 370 L N 2.395 123.667 121.223 0.081 0.000 2.012 370 L HA 0.139 4.479 4.340 -0.001 0.000 0.210 370 L C -0.836 176.021 176.870 -0.022 0.000 1.073 370 L CA 1.860 56.712 54.840 0.021 0.000 0.748 370 L CB -1.180 40.927 42.059 0.081 0.000 0.891 370 L HN 0.132 nan 8.230 nan 0.000 0.431 371 P HA -0.205 nan 4.420 nan 0.000 0.215 371 P C 1.526 178.658 177.300 -0.280 0.000 1.157 371 P CA 1.546 64.651 63.100 0.008 0.000 0.868 371 P CB -0.046 31.784 31.700 0.217 0.000 0.788 372 E N -0.292 119.821 120.200 -0.146 0.000 2.047 372 E HA -0.191 4.159 4.350 -0.001 0.000 0.191 372 E C 1.938 178.448 176.600 -0.151 0.000 0.987 372 E CA 1.298 57.553 56.400 -0.241 0.000 0.799 372 E CB -0.495 29.300 29.700 0.157 0.000 0.752 372 E HN 0.026 nan 8.360 nan 0.000 0.449 373 A N 0.521 123.310 122.820 -0.051 0.000 1.917 373 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 373 A C 1.951 179.515 177.584 -0.034 0.000 1.182 373 A CA 1.928 53.943 52.037 -0.037 0.000 0.633 373 A CB -0.997 17.948 19.000 -0.091 0.000 0.819 373 A HN 0.462 nan 8.150 nan 0.000 0.448 374 H N -1.263 117.711 119.070 -0.160 0.000 2.357 374 H HA 0.036 4.591 4.556 -0.001 0.000 0.301 374 H C 2.505 177.726 175.328 -0.178 0.000 1.082 374 H CA 0.738 56.680 56.048 -0.177 0.000 1.342 374 H CB 0.060 29.675 29.762 -0.244 0.000 1.389 374 H HN 0.555 nan 8.280 nan 0.000 0.511 375 A N 0.464 123.174 122.820 -0.183 0.000 1.858 375 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 375 A C 2.705 180.292 177.584 0.006 0.000 1.190 375 A CA 1.533 53.441 52.037 -0.214 0.000 0.617 375 A CB -1.286 17.295 19.000 -0.699 0.000 0.827 375 A HN 0.759 nan 8.150 nan 0.000 0.443 376 C N -0.603 118.737 119.300 0.067 0.000 2.413 376 C HA -0.125 4.335 4.460 -0.001 0.000 0.276 376 C C 2.977 178.069 174.990 0.170 0.000 1.236 376 C CA 1.762 60.900 59.018 0.201 0.000 1.735 376 C CB -2.057 25.888 27.740 0.341 0.000 2.031 376 C HN 0.703 nan 8.230 nan 0.000 0.474 377 T N 1.305 115.938 114.554 0.132 0.000 2.652 377 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 377 T C 2.119 176.864 174.700 0.075 0.000 1.039 377 T CA 2.231 64.394 62.100 0.105 0.000 1.153 377 T CB -1.028 67.896 68.868 0.094 0.000 0.863 377 T HN 0.850 nan 8.240 nan 0.000 0.428 378 A N 1.999 124.855 122.820 0.060 0.000 1.883 378 A HA 0.197 4.516 4.320 -0.001 0.000 0.217 378 A C 2.787 180.393 177.584 0.035 0.000 1.186 378 A CA 1.908 53.959 52.037 0.024 0.000 0.624 378 A CB -1.673 17.315 19.000 -0.021 0.000 0.822 378 A HN 0.655 nan 8.150 nan 0.000 0.444 379 G N -0.454 108.387 108.800 0.068 0.000 2.402 379 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.216 379 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.216 379 G C 1.551 176.490 174.900 0.065 0.000 1.162 379 G CA 0.969 46.122 45.100 0.088 0.000 0.777 379 G HN 0.426 nan 8.290 nan 0.000 0.539 380 L N 0.092 121.355 121.223 0.068 0.000 2.093 380 L HA -0.011 4.328 4.340 -0.001 0.000 0.208 380 L C 2.867 179.717 176.870 -0.034 0.000 1.085 380 L CA 1.020 55.877 54.840 0.027 0.000 0.755 380 L CB -0.317 41.788 42.059 0.076 0.000 0.904 380 L HN 0.140 nan 8.230 nan 0.000 0.435 381 K N 0.123 120.515 120.400 -0.012 0.000 2.057 381 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 381 K C 2.274 178.842 176.600 -0.053 0.000 1.049 381 K CA 1.968 58.233 56.287 -0.037 0.000 0.931 381 K CB -0.194 32.295 32.500 -0.018 0.000 0.714 381 K HN 0.144 nan 8.250 nan 0.000 0.440 382 S N 0.688 116.371 115.700 -0.028 0.000 2.355 382 S HA -0.132 4.337 4.470 -0.001 0.000 0.222 382 S C 2.112 176.706 174.600 -0.010 0.000 1.031 382 S CA 1.139 59.327 58.200 -0.021 0.000 0.993 382 S CB -0.289 62.915 63.200 0.006 0.000 0.859 382 S HN 0.340 nan 8.310 nan 0.000 0.453 383 L N 1.590 122.810 121.223 -0.005 0.000 1.994 383 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 383 L C 2.843 179.667 176.870 -0.076 0.000 1.071 383 L CA 2.659 57.506 54.840 0.012 0.000 0.745 383 L CB -1.232 40.853 42.059 0.042 0.000 0.892 383 L HN 0.619 nan 8.230 nan 0.000 0.431 384 T N -4.275 110.101 114.554 -0.296 0.000 2.746 384 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 384 T C 1.836 176.431 174.700 -0.175 0.000 1.039 384 T CA 1.761 63.474 62.100 -0.646 0.000 1.142 384 T CB -1.366 67.004 68.868 -0.831 0.000 0.866 384 T HN 0.579 nan 8.240 nan 0.000 0.444 385 T N -0.153 114.380 114.554 -0.036 0.000 2.777 385 T HA -0.106 4.244 4.350 -0.001 0.000 0.266 385 T C 2.153 176.958 174.700 0.175 0.000 1.040 385 T CA 1.705 63.882 62.100 0.128 0.000 1.141 385 T CB -1.430 67.415 68.868 -0.038 0.000 0.868 385 T HN 0.400 nan 8.240 nan 0.000 0.444 386 T N 2.253 116.866 114.554 0.097 0.000 2.674 386 T HA 0.091 4.440 4.350 -0.001 0.000 0.265 386 T C 2.498 177.319 174.700 0.201 0.000 1.039 386 T CA 1.404 63.582 62.100 0.130 0.000 1.150 386 T CB -0.895 68.035 68.868 0.103 0.000 0.864 386 T HN 0.588 nan 8.240 nan 0.000 0.427 387 A N 1.110 124.070 122.820 0.234 0.000 1.933 387 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 387 A C 2.537 180.316 177.584 0.324 0.000 1.175 387 A CA 2.087 54.328 52.037 0.340 0.000 0.628 387 A CB -1.168 18.169 19.000 0.562 0.000 0.814 387 A HN 0.485 nan 8.150 nan 0.000 0.444 388 T N 0.115 114.845 114.554 0.293 0.000 2.737 388 T HA 0.050 4.399 4.350 -0.001 0.000 0.265 388 T C 2.287 177.033 174.700 0.076 0.000 1.038 388 T CA 1.461 63.638 62.100 0.129 0.000 1.144 388 T CB -0.465 68.354 68.868 -0.082 0.000 0.866 388 T HN 0.590 nan 8.240 nan 0.000 0.434 389 A N 2.228 125.200 122.820 0.253 0.000 1.883 389 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 389 A C 2.115 179.957 177.584 0.430 0.000 1.186 389 A CA 1.920 54.188 52.037 0.384 0.000 0.624 389 A CB -0.766 18.436 19.000 0.337 0.000 0.822 389 A HN 0.360 nan 8.150 nan 0.000 0.444 390 D N -0.447 120.136 120.400 0.305 0.000 2.117 390 D HA -0.074 4.565 4.640 -0.001 0.000 0.197 390 D C 2.075 178.471 176.300 0.161 0.000 0.987 390 D CA 1.432 55.571 54.000 0.232 0.000 0.829 390 D CB -0.788 40.126 40.800 0.191 0.000 0.961 390 D HN 0.450 nan 8.370 nan 0.000 0.460 391 G N 0.802 109.697 108.800 0.159 0.000 2.422 391 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.218 391 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.218 391 G C 1.796 176.740 174.900 0.074 0.000 1.146 391 G CA 0.289 45.452 45.100 0.105 0.000 0.769 391 G HN 0.269 nan 8.290 nan 0.000 0.547 392 I N 0.427 121.060 120.570 0.105 0.000 2.252 392 I HA -0.103 4.066 4.170 -0.001 0.000 0.245 392 I C 2.653 178.794 176.117 0.041 0.000 1.102 392 I CA 1.458 62.818 61.300 0.100 0.000 1.385 392 I CB -0.111 38.007 38.000 0.197 0.000 1.064 392 I HN 0.194 nan 8.210 nan 0.000 0.414 393 E N 1.403 121.577 120.200 -0.043 0.000 2.150 393 E HA -0.279 4.071 4.350 -0.001 0.000 0.193 393 E C 1.888 178.399 176.600 -0.149 0.000 0.985 393 E CA 1.436 57.638 56.400 -0.329 0.000 0.814 393 E CB -0.082 29.185 29.700 -0.722 0.000 0.752 393 E HN 0.360 nan 8.360 nan 0.000 0.466 394 E N -0.513 119.652 120.200 -0.058 0.000 2.150 394 E HA -0.097 4.253 4.350 -0.001 0.000 0.193 394 E C 1.726 178.316 176.600 -0.016 0.000 0.985 394 E CA 1.312 57.696 56.400 -0.026 0.000 0.814 394 E CB -0.654 29.051 29.700 0.008 0.000 0.752 394 E HN 0.379 nan 8.360 nan 0.000 0.466 395 C N 0.258 119.555 119.300 -0.006 0.000 2.435 395 C HA 0.066 4.526 4.460 -0.001 0.000 0.279 395 C C 2.616 177.605 174.990 -0.002 0.000 1.321 395 C CA 0.795 59.818 59.018 0.009 0.000 1.752 395 C CB -0.927 26.826 27.740 0.021 0.000 1.959 395 C HN 0.461 nan 8.230 nan 0.000 0.500 396 R N 1.271 121.753 120.500 -0.029 0.000 2.075 396 R HA -0.101 4.238 4.340 -0.001 0.000 0.232 396 R C 2.151 178.443 176.300 -0.013 0.000 1.126 396 R CA 1.281 57.361 56.100 -0.033 0.000 0.963 396 R CB -0.167 30.100 30.300 -0.055 0.000 0.858 396 R HN 0.505 nan 8.270 nan 0.000 0.435 397 K N 0.404 120.791 120.400 -0.022 0.000 2.147 397 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 397 K C 2.031 178.641 176.600 0.017 0.000 1.049 397 K CA 0.990 57.272 56.287 -0.010 0.000 0.936 397 K CB -0.081 32.404 32.500 -0.025 0.000 0.722 397 K HN 0.254 nan 8.250 nan 0.000 0.446 398 L N 0.266 121.503 121.223 0.024 0.000 2.362 398 L HA -0.166 4.173 4.340 -0.001 0.000 0.219 398 L C 1.713 178.658 176.870 0.126 0.000 1.134 398 L CA 0.476 55.347 54.840 0.053 0.000 0.807 398 L CB -0.166 41.916 42.059 0.039 0.000 0.927 398 L HN 0.228 nan 8.230 nan 0.000 0.447 399 C N 0.187 119.552 119.300 0.107 0.000 2.693 399 C HA 0.392 4.851 4.460 -0.001 0.000 0.286 399 C C 1.703 176.768 174.990 0.125 0.000 1.277 399 C CA -0.112 58.991 59.018 0.142 0.000 1.705 399 C CB -1.779 25.885 27.740 -0.127 0.000 1.879 399 C HN 0.754 nan 8.230 nan 0.000 0.607 400 G N 1.432 110.292 108.800 0.099 0.000 2.581 400 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.291 400 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.291 400 G C 1.060 175.962 174.900 0.002 0.000 1.277 400 G CA 0.250 45.380 45.100 0.050 0.000 0.959 400 G HN 0.601 nan 8.290 nan 0.000 0.554 401 G N -1.661 107.103 108.800 -0.061 0.000 2.476 401 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.218 401 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.218 401 G C 1.437 176.367 174.900 0.049 0.000 1.164 401 G CA 1.913 46.981 45.100 -0.053 0.000 0.768 401 G HN 0.874 nan 8.290 nan 0.000 0.560 402 H N 0.675 119.786 119.070 0.069 0.000 2.489 402 H HA -0.047 4.509 4.556 -0.001 0.000 0.295 402 H C 2.754 178.049 175.328 -0.056 0.000 1.082 402 H CA 0.814 56.868 56.048 0.010 0.000 1.295 402 H CB -0.826 28.910 29.762 -0.044 0.000 1.380 402 H HN 0.380 nan 8.280 nan 0.000 0.548 403 G N -0.522 108.297 108.800 0.032 0.000 2.509 403 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.218 403 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.218 403 G C 1.436 176.385 174.900 0.082 0.000 1.124 403 G CA 0.142 45.235 45.100 -0.012 0.000 0.776 403 G HN 0.406 nan 8.290 nan 0.000 0.547 404 Y N 0.547 120.849 120.300 0.003 0.000 2.516 404 Y HA 0.334 4.884 4.550 -0.001 0.000 0.291 404 Y C 1.189 177.126 175.900 0.061 0.000 1.131 404 Y CA -0.715 57.401 58.100 0.027 0.000 1.281 404 Y CB 0.011 38.492 38.460 0.034 0.000 1.013 404 Y HN -0.056 nan 8.280 nan 0.000 0.554 405 L N -0.172 121.084 121.223 0.055 0.000 2.367 405 L HA -0.077 4.262 4.340 -0.001 0.000 0.275 405 L C 1.104 177.987 176.870 0.022 0.000 1.129 405 L CA -0.117 54.738 54.840 0.025 0.000 0.839 405 L CB 0.598 42.700 42.059 0.073 0.000 1.133 405 L HN 0.389 nan 8.230 nan 0.000 0.453 406 W N 3.962 125.191 121.300 -0.120 0.000 2.325 406 W HA -0.279 4.380 4.660 -0.001 0.000 0.299 406 W C 2.469 178.947 176.519 -0.069 0.000 1.215 406 W CA 1.662 58.952 57.345 -0.092 0.000 1.244 406 W CB -0.036 29.375 29.460 -0.083 0.000 1.140 406 W HN 0.780 nan 8.180 nan 0.000 0.523 407 C N 0.323 119.720 119.300 0.162 0.000 2.485 407 C HA 0.026 4.485 4.460 -0.001 0.000 0.283 407 C C 2.609 177.516 174.990 -0.138 0.000 1.478 407 C CA 0.736 59.772 59.018 0.031 0.000 1.741 407 C CB -2.053 25.750 27.740 0.105 0.000 1.675 407 C HN 0.420 nan 8.230 nan 0.000 0.573 408 S N 0.088 115.686 115.700 -0.171 0.000 2.522 408 S HA 0.315 4.784 4.470 -0.001 0.000 0.227 408 S C 1.845 176.294 174.600 -0.251 0.000 0.986 408 S CA 1.305 59.392 58.200 -0.188 0.000 0.929 408 S CB -0.831 62.273 63.200 -0.161 0.000 0.769 408 S HN 1.743 nan 8.310 nan 0.000 0.529 409 G N 1.192 109.748 108.800 -0.406 0.000 2.234 409 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.260 409 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.260 409 G C 0.691 175.376 174.900 -0.359 0.000 0.987 409 G CA 0.576 45.396 45.100 -0.466 0.000 0.625 409 G HN 0.531 nan 8.290 nan 0.000 0.532 410 L N 0.548 121.619 121.223 -0.253 0.000 2.127 410 L HA 0.075 4.415 4.340 -0.001 0.000 0.203 410 L C 0.320 177.141 176.870 -0.082 0.000 1.080 410 L CA 1.310 56.067 54.840 -0.137 0.000 0.768 410 L CB -0.993 41.013 42.059 -0.090 0.000 0.924 410 L HN 0.171 nan 8.230 nan 0.000 0.444 411 P HA -0.220 nan 4.420 nan 0.000 0.214 411 P C 1.414 178.740 177.300 0.044 0.000 1.163 411 P CA 1.386 64.481 63.100 -0.008 0.000 0.883 411 P CB 0.093 31.767 31.700 -0.042 0.000 0.788 412 E N -0.705 119.412 120.200 -0.138 0.000 2.106 412 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 412 E C 1.886 178.498 176.600 0.020 0.000 0.984 412 E CA 0.663 57.056 56.400 -0.013 0.000 0.806 412 E CB -0.509 29.117 29.700 -0.124 0.000 0.750 412 E HN -0.021 nan 8.360 nan 0.000 0.458 413 L N 0.506 121.700 121.223 -0.047 0.000 2.042 413 L HA -0.150 4.189 4.340 -0.001 0.000 0.210 413 L C 2.077 179.033 176.870 0.143 0.000 1.076 413 L CA 1.664 56.507 54.840 0.006 0.000 0.749 413 L CB -0.731 41.291 42.059 -0.062 0.000 0.893 413 L HN 0.224 nan 8.230 nan 0.000 0.432 414 F N 0.241 120.213 119.950 0.037 0.000 2.084 414 F HA -0.126 4.401 4.527 -0.001 0.000 0.296 414 F C 2.319 178.199 175.800 0.132 0.000 1.111 414 F CA 1.568 59.626 58.000 0.096 0.000 1.224 414 F CB -0.800 38.239 39.000 0.065 0.000 0.991 414 F HN 0.130 nan 8.300 nan 0.000 0.471 415 A N -0.337 122.541 122.820 0.097 0.000 1.902 415 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 415 A C 2.361 179.960 177.584 0.024 0.000 1.181 415 A CA 1.866 53.910 52.037 0.011 0.000 0.623 415 A CB -1.528 17.567 19.000 0.157 0.000 0.818 415 A HN 0.355 nan 8.150 nan 0.000 0.443 416 V N -1.693 118.297 119.914 0.126 0.000 2.667 416 V HA -0.168 3.951 4.120 -0.001 0.000 0.252 416 V C 2.112 178.332 176.094 0.210 0.000 1.065 416 V CA 2.104 64.550 62.300 0.244 0.000 1.083 416 V CB -0.565 31.371 31.823 0.188 0.000 0.692 416 V HN 0.697 nan 8.190 nan 0.000 0.468 417 Y N 0.770 121.068 120.300 -0.004 0.000 2.269 417 Y HA -0.080 4.470 4.550 -0.001 0.000 0.294 417 Y C 2.296 178.099 175.900 -0.161 0.000 1.120 417 Y CA 1.924 60.003 58.100 -0.035 0.000 1.159 417 Y CB -0.232 38.206 38.460 -0.037 0.000 1.024 417 Y HN 0.216 nan 8.280 nan 0.000 0.532 418 V N -1.643 118.051 119.914 -0.366 0.000 2.428 418 V HA -0.243 3.877 4.120 -0.001 0.000 0.255 418 V C -0.522 175.268 176.094 -0.506 0.000 1.080 418 V CA 1.712 63.730 62.300 -0.470 0.000 1.083 418 V CB -2.454 29.036 31.823 -0.556 0.000 0.665 418 V HN 0.251 nan 8.190 nan 0.000 0.461 419 P HA -0.049 nan 4.420 nan 0.000 0.221 419 P C 1.816 178.579 177.300 -0.896 0.000 1.145 419 P CA 1.886 64.662 63.100 -0.541 0.000 0.795 419 P CB -0.274 31.132 31.700 -0.490 0.000 0.775 420 A N -1.154 121.017 122.820 -1.083 0.000 2.024 420 A HA -0.226 4.094 4.320 -0.001 0.000 0.220 420 A C 2.046 179.050 177.584 -0.966 0.000 1.164 420 A CA 1.538 52.695 52.037 -1.466 0.000 0.643 420 A CB -1.711 16.567 19.000 -1.203 0.000 0.806 420 A HN 0.264 nan 8.150 nan 0.000 0.451 421 C N -2.035 116.888 119.300 -0.629 0.000 2.562 421 C HA 0.170 4.629 4.460 -0.001 0.000 0.266 421 C C 2.494 177.282 174.990 -0.337 0.000 1.382 421 C CA 1.166 59.964 59.018 -0.366 0.000 1.742 421 C CB -1.122 26.488 27.740 -0.215 0.000 1.812 421 C HN 0.714 nan 8.230 nan 0.000 0.559 422 T N -0.808 113.478 114.554 -0.446 0.000 3.075 422 T HA 0.165 4.514 4.350 -0.001 0.000 0.251 422 T C 0.386 174.941 174.700 -0.241 0.000 0.979 422 T CA -0.065 61.851 62.100 -0.307 0.000 1.033 422 T CB -0.151 68.537 68.868 -0.300 0.000 1.104 422 T HN 0.408 nan 8.240 nan 0.000 0.473 423 Y N 1.716 121.874 120.300 -0.237 0.000 2.457 423 Y HA 0.541 5.091 4.550 -0.001 0.000 0.341 423 Y C 0.666 176.486 175.900 -0.133 0.000 1.240 423 Y CA -1.392 56.595 58.100 -0.190 0.000 1.437 423 Y CB 0.101 38.441 38.460 -0.201 0.000 1.328 423 Y HN 0.158 nan 8.280 nan 0.000 0.588 424 E N 0.598 120.919 120.200 0.201 0.000 3.070 424 E HA -0.132 4.218 4.350 -0.001 0.000 0.285 424 E C 0.202 176.820 176.600 0.031 0.000 0.972 424 E CA 1.519 57.984 56.400 0.109 0.000 0.915 424 E CB -1.567 28.233 29.700 0.167 0.000 1.466 424 E HN 1.716 nan 8.360 nan 0.000 0.432 425 G N 1.054 109.858 108.800 0.005 0.000 3.233 425 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.686 425 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.686 425 G C -0.661 174.205 174.900 -0.057 0.000 1.153 425 G CA -0.192 44.894 45.100 -0.023 0.000 0.853 425 G HN 0.156 nan 8.290 nan 0.000 0.582 426 D N 1.759 122.128 120.400 -0.053 0.000 2.493 426 D HA 0.010 4.649 4.640 -0.001 0.000 0.240 426 D C 1.450 177.718 176.300 -0.054 0.000 1.142 426 D CA -0.149 53.812 54.000 -0.066 0.000 0.872 426 D CB 0.519 41.293 40.800 -0.044 0.000 1.173 426 D HN 0.282 nan 8.370 nan 0.000 0.467 427 N N 2.806 121.466 118.700 -0.067 0.000 2.137 427 N HA -0.154 4.585 4.740 -0.001 0.000 0.190 427 N C 1.698 177.200 175.510 -0.013 0.000 1.017 427 N CA 0.757 53.781 53.050 -0.044 0.000 0.859 427 N CB -0.051 38.408 38.487 -0.046 0.000 1.002 427 N HN 0.307 nan 8.380 nan 0.000 0.428 428 V N 0.006 119.915 119.914 -0.009 0.000 2.407 428 V HA -0.092 4.027 4.120 -0.001 0.000 0.245 428 V C 2.308 178.410 176.094 0.014 0.000 1.041 428 V CA 0.829 63.133 62.300 0.007 0.000 1.040 428 V CB -0.314 31.512 31.823 0.006 0.000 0.671 428 V HN 0.055 nan 8.190 nan 0.000 0.455 429 V N 0.023 119.940 119.914 0.006 0.000 2.343 429 V HA -0.262 3.857 4.120 -0.001 0.000 0.247 429 V C 2.327 178.429 176.094 0.014 0.000 1.051 429 V CA 1.944 64.252 62.300 0.014 0.000 1.036 429 V CB -0.546 31.278 31.823 0.002 0.000 0.654 429 V HN 0.440 nan 8.190 nan 0.000 0.451 430 L N -0.540 120.683 121.223 0.000 0.000 2.083 430 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 430 L C 2.730 179.615 176.870 0.024 0.000 1.083 430 L CA 1.329 56.167 54.840 -0.003 0.000 0.752 430 L CB -0.592 41.459 42.059 -0.014 0.000 0.899 430 L HN 0.326 nan 8.230 nan 0.000 0.433 431 Q N -0.176 119.646 119.800 0.037 0.000 2.224 431 Q HA -0.091 4.248 4.340 -0.001 0.000 0.203 431 Q C 2.321 178.369 176.000 0.080 0.000 0.970 431 Q CA 1.144 56.983 55.803 0.060 0.000 0.865 431 Q CB -0.080 28.689 28.738 0.051 0.000 0.922 431 Q HN 0.557 nan 8.270 nan 0.000 0.445 432 L N 0.102 121.374 121.223 0.083 0.000 2.156 432 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 432 L C 2.375 179.353 176.870 0.180 0.000 1.095 432 L CA 0.899 55.827 54.840 0.148 0.000 0.770 432 L CB -0.210 41.946 42.059 0.162 0.000 0.914 432 L HN 0.221 nan 8.230 nan 0.000 0.439 433 Q N -0.698 119.160 119.800 0.097 0.000 2.079 433 Q HA -0.161 4.179 4.340 -0.001 0.000 0.200 433 Q C 2.352 178.420 176.000 0.114 0.000 0.974 433 Q CA 1.336 57.176 55.803 0.062 0.000 0.840 433 Q CB -0.051 28.676 28.738 -0.019 0.000 0.898 433 Q HN 0.321 nan 8.270 nan 0.000 0.430 434 V N 0.818 120.805 119.914 0.122 0.000 2.343 434 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 434 V C 2.238 178.463 176.094 0.218 0.000 1.051 434 V CA 1.787 64.196 62.300 0.182 0.000 1.036 434 V CB -1.007 30.920 31.823 0.172 0.000 0.654 434 V HN 0.414 nan 8.190 nan 0.000 0.451 435 A N 0.042 122.970 122.820 0.181 0.000 1.883 435 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 435 A C 2.378 180.104 177.584 0.237 0.000 1.186 435 A CA 2.047 54.186 52.037 0.171 0.000 0.624 435 A CB -0.542 18.539 19.000 0.135 0.000 0.822 435 A HN 0.510 nan 8.150 nan 0.000 0.444 436 R N -2.012 118.663 120.500 0.292 0.000 2.091 436 R HA -0.152 4.188 4.340 -0.001 0.000 0.238 436 R C 2.032 178.411 176.300 0.131 0.000 1.136 436 R CA 1.658 57.866 56.100 0.180 0.000 0.959 436 R CB -0.558 29.752 30.300 0.017 0.000 0.856 436 R HN 0.618 nan 8.270 nan 0.000 0.437 437 F N 1.556 121.519 119.950 0.021 0.000 2.134 437 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 437 F C 1.845 177.634 175.800 -0.018 0.000 1.097 437 F CA 1.382 59.383 58.000 0.001 0.000 1.264 437 F CB -0.217 38.789 39.000 0.010 0.000 1.001 437 F HN -0.095 nan 8.300 nan 0.000 0.479 438 L N -0.609 120.550 121.223 -0.107 0.000 2.056 438 L HA -0.241 4.098 4.340 -0.001 0.000 0.207 438 L C 2.513 179.266 176.870 -0.195 0.000 1.078 438 L CA 0.877 55.570 54.840 -0.245 0.000 0.749 438 L CB -0.624 41.368 42.059 -0.113 0.000 0.901 438 L HN 0.186 nan 8.230 nan 0.000 0.433 439 M N -0.238 119.322 119.600 -0.067 0.000 2.159 439 M HA -0.186 4.293 4.480 -0.001 0.000 0.263 439 M C 2.181 178.433 176.300 -0.080 0.000 1.063 439 M CA 1.695 56.978 55.300 -0.028 0.000 1.110 439 M CB -0.881 31.773 32.600 0.090 0.000 1.374 439 M HN 0.167 nan 8.290 nan 0.000 0.411 440 K N -0.668 119.662 120.400 -0.118 0.000 2.057 440 K HA -0.074 4.245 4.320 -0.001 0.000 0.206 440 K C 1.994 178.479 176.600 -0.193 0.000 1.050 440 K CA 1.612 57.822 56.287 -0.128 0.000 0.935 440 K CB -0.236 32.201 32.500 -0.106 0.000 0.715 440 K HN 0.302 nan 8.250 nan 0.000 0.439 441 T N 1.061 115.409 114.554 -0.343 0.000 2.788 441 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 441 T C 1.992 176.563 174.700 -0.214 0.000 1.044 441 T CA 1.105 62.996 62.100 -0.349 0.000 1.139 441 T CB -0.133 68.406 68.868 -0.548 0.000 0.867 441 T HN -0.052 nan 8.240 nan 0.000 0.454 442 V N 1.651 121.454 119.914 -0.185 0.000 2.427 442 V HA -0.120 4.000 4.120 -0.001 0.000 0.248 442 V C 2.890 178.933 176.094 -0.085 0.000 1.051 442 V CA 1.491 63.717 62.300 -0.122 0.000 1.048 442 V CB -1.189 30.578 31.823 -0.094 0.000 0.666 442 V HN 0.517 nan 8.190 nan 0.000 0.456 443 A N -0.579 122.194 122.820 -0.077 0.000 1.940 443 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 443 A C 1.551 179.106 177.584 -0.048 0.000 1.176 443 A CA 1.156 53.164 52.037 -0.049 0.000 0.631 443 A CB -0.420 18.555 19.000 -0.042 0.000 0.814 443 A HN 0.661 nan 8.150 nan 0.000 0.446 444 Q N 0.273 120.034 119.800 -0.065 0.000 2.553 444 Q HA 0.382 4.721 4.340 -0.001 0.000 0.221 444 Q C -0.684 175.283 176.000 -0.054 0.000 1.219 444 Q CA -0.276 55.496 55.803 -0.052 0.000 0.955 444 Q CB 0.327 29.031 28.738 -0.056 0.000 1.399 444 Q HN 0.510 nan 8.270 nan 0.000 0.551 445 L N 1.888 123.086 121.223 -0.041 0.000 3.461 445 L HA 0.010 4.350 4.340 -0.001 0.000 0.246 445 L C 1.184 178.035 176.870 -0.032 0.000 1.454 445 L CA 0.109 54.926 54.840 -0.038 0.000 1.091 445 L CB -1.151 40.891 42.059 -0.028 0.000 1.512 445 L HN 0.957 nan 8.230 nan 0.000 0.444 446 G N -0.215 108.564 108.800 -0.035 0.000 2.212 446 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.267 446 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.267 446 G C 0.319 175.212 174.900 -0.012 0.000 1.002 446 G CA 0.562 45.648 45.100 -0.023 0.000 0.729 446 G HN 0.476 nan 8.290 nan 0.000 0.517 447 S N -0.185 115.507 115.700 -0.013 0.000 2.516 447 S HA 0.638 5.107 4.470 -0.001 0.000 0.268 447 S C 1.108 175.706 174.600 -0.003 0.000 1.251 447 S CA 0.346 58.542 58.200 -0.007 0.000 1.153 447 S CB 1.200 64.396 63.200 -0.008 0.000 1.009 447 S HN 1.776 nan 8.310 nan 0.000 0.479 448 G N 1.045 109.846 108.800 0.002 0.000 3.345 448 G HA2 0.328 4.288 3.960 -0.001 0.000 0.199 448 G HA3 0.328 4.288 3.960 -0.001 0.000 0.199 448 G C -0.111 174.795 174.900 0.011 0.000 1.057 448 G CA 0.083 45.187 45.100 0.006 0.000 0.865 448 G HN 1.106 nan 8.290 nan 0.000 0.449 449 K N -0.173 120.233 120.400 0.011 0.000 2.594 449 K HA 0.733 5.053 4.320 -0.001 0.000 0.274 449 K C 0.144 176.753 176.600 0.016 0.000 1.025 449 K CA 0.054 56.352 56.287 0.018 0.000 1.010 449 K CB 0.099 32.615 32.500 0.027 0.000 1.377 449 K HN 1.895 nan 8.250 nan 0.000 0.429 450 V N -0.282 119.644 119.914 0.019 0.000 2.999 450 V HA 0.588 4.708 4.120 -0.001 0.000 0.307 450 V C -2.016 174.093 176.094 0.025 0.000 1.084 450 V CA -1.121 61.189 62.300 0.017 0.000 1.155 450 V CB 0.112 31.949 31.823 0.024 0.000 0.975 450 V HN 0.726 nan 8.190 nan 0.000 0.490 451 P HA 0.625 nan 4.420 nan 0.000 0.276 451 P C -0.047 177.291 177.300 0.063 0.000 1.243 451 P CA 0.413 63.524 63.100 0.019 0.000 0.768 451 P CB 0.956 32.630 31.700 -0.042 0.000 0.856 452 V N 1.520 121.499 119.914 0.108 0.000 3.344 452 V HA 0.857 4.977 4.120 -0.001 0.000 0.301 452 V C 1.072 177.284 176.094 0.197 0.000 1.286 452 V CA -0.405 61.978 62.300 0.139 0.000 1.028 452 V CB 0.575 32.477 31.823 0.131 0.000 1.223 452 V HN 0.780 nan 8.190 nan 0.000 0.478 453 G N -0.026 108.905 108.800 0.218 0.000 2.596 453 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.295 453 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.295 453 G C 1.061 176.133 174.900 0.287 0.000 1.240 453 G CA 1.736 47.004 45.100 0.279 0.000 0.985 453 G HN 2.509 nan 8.290 nan 0.000 0.555 454 T N -2.188 112.572 114.554 0.342 0.000 3.148 454 T HA 0.254 4.603 4.350 -0.001 0.000 0.253 454 T C 1.814 176.829 174.700 0.525 0.000 1.134 454 T CA 2.111 64.412 62.100 0.336 0.000 1.051 454 T CB -0.315 68.728 68.868 0.292 0.000 0.959 454 T HN 1.699 nan 8.240 nan 0.000 0.525 455 T N -2.562 112.254 114.554 0.438 0.000 3.085 455 T HA 0.651 5.000 4.350 -0.001 0.000 0.264 455 T C 1.975 176.709 174.700 0.056 0.000 1.019 455 T CA 0.178 62.448 62.100 0.283 0.000 0.910 455 T CB 0.088 69.057 68.868 0.169 0.000 1.059 455 T HN 0.306 nan 8.240 nan 0.000 0.542 456 A N 2.050 124.986 122.820 0.193 0.000 1.940 456 A HA -0.071 4.249 4.320 -0.001 0.000 0.219 456 A C 2.009 179.650 177.584 0.094 0.000 1.176 456 A CA 1.735 53.849 52.037 0.128 0.000 0.631 456 A CB -1.288 17.810 19.000 0.164 0.000 0.814 456 A HN 0.888 nan 8.150 nan 0.000 0.446 457 Y N -1.616 118.746 120.300 0.104 0.000 2.315 457 Y HA -0.128 4.422 4.550 -0.001 0.000 0.288 457 Y C 1.954 177.904 175.900 0.083 0.000 1.154 457 Y CA 1.389 59.545 58.100 0.094 0.000 1.229 457 Y CB -0.745 37.779 38.460 0.107 0.000 0.980 457 Y HN 0.206 nan 8.280 nan 0.000 0.540 458 M N 0.910 120.043 119.600 -0.779 0.000 2.629 458 M HA -0.040 4.440 4.480 -0.001 0.000 0.257 458 M C 2.139 178.309 176.300 -0.217 0.000 1.071 458 M CA 1.252 56.203 55.300 -0.582 0.000 1.077 458 M CB -0.360 31.878 32.600 -0.603 0.000 1.423 458 M HN 0.594 nan 8.290 nan 0.000 0.508 459 G N 0.154 108.883 108.800 -0.119 0.000 2.453 459 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.215 459 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.215 459 G C 1.291 176.188 174.900 -0.004 0.000 1.147 459 G CA -0.141 44.933 45.100 -0.044 0.000 0.802 459 G HN 0.377 nan 8.290 nan 0.000 0.535 460 R N 1.054 121.573 120.500 0.031 0.000 3.192 460 R HA 0.330 4.670 4.340 -0.001 0.000 0.264 460 R C 1.867 178.209 176.300 0.070 0.000 1.464 460 R CA 0.133 56.273 56.100 0.066 0.000 1.309 460 R CB 0.194 30.560 30.300 0.109 0.000 1.283 460 R HN 0.259 nan 8.270 nan 0.000 0.584 461 A N 0.877 123.714 122.820 0.030 0.000 2.178 461 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 461 A C 2.150 179.752 177.584 0.030 0.000 1.157 461 A CA 1.438 53.492 52.037 0.029 0.000 0.689 461 A CB -0.170 18.827 19.000 -0.006 0.000 0.787 461 A HN 0.498 nan 8.150 nan 0.000 0.465 462 A N -0.544 122.288 122.820 0.020 0.000 1.829 462 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 462 A C 2.117 179.687 177.584 -0.023 0.000 1.207 462 A CA 1.713 53.735 52.037 -0.026 0.000 0.622 462 A CB -0.930 18.040 19.000 -0.051 0.000 0.846 462 A HN 0.578 nan 8.150 nan 0.000 0.447 463 H N -0.602 118.489 119.070 0.034 0.000 2.502 463 H HA 0.138 4.693 4.556 -0.001 0.000 0.283 463 H C 2.095 177.451 175.328 0.047 0.000 1.015 463 H CA 1.043 57.113 56.048 0.036 0.000 1.298 463 H CB -0.140 29.644 29.762 0.036 0.000 1.411 463 H HN 0.369 nan 8.280 nan 0.000 0.556 464 L N 0.102 121.434 121.223 0.181 0.000 1.976 464 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 464 L C 1.994 178.930 176.870 0.111 0.000 1.071 464 L CA 0.985 55.913 54.840 0.146 0.000 0.746 464 L CB -0.406 41.746 42.059 0.155 0.000 0.890 464 L HN 0.162 nan 8.230 nan 0.000 0.432 465 L N 0.213 121.485 121.223 0.082 0.000 2.737 465 L HA -0.080 4.259 4.340 -0.001 0.000 0.246 465 L C 1.187 178.088 176.870 0.053 0.000 1.153 465 L CA 0.440 55.313 54.840 0.055 0.000 0.920 465 L CB -0.541 41.538 42.059 0.032 0.000 1.090 465 L HN 0.483 nan 8.230 nan 0.000 0.430 466 Q N -0.661 119.187 119.800 0.080 0.000 2.040 466 Q HA 0.193 4.533 4.340 -0.001 0.000 0.240 466 Q C -0.009 176.068 176.000 0.128 0.000 0.844 466 Q CA 0.011 55.863 55.803 0.082 0.000 1.003 466 Q CB -0.760 28.010 28.738 0.054 0.000 1.281 466 Q HN 0.494 nan 8.270 nan 0.000 0.402 467 c N -0.690 117.982 118.600 0.120 0.000 2.345 467 c HA 0.946 5.516 4.570 -0.001 0.000 0.369 467 c C 0.321 174.451 174.090 0.067 0.000 1.273 467 c CA -0.757 55.633 56.329 0.103 0.000 2.310 467 c CB 0.940 43.499 42.510 0.083 0.000 2.219 467 c HN 0.616 nan 8.230 nan 0.000 0.587 468 R N 0.875 121.396 120.500 0.035 0.000 2.810 468 R HA 0.292 4.631 4.340 -0.001 0.000 0.280 468 R C -0.669 175.625 176.300 -0.011 0.000 1.517 468 R CA 0.069 56.183 56.100 0.023 0.000 1.063 468 R CB 1.576 31.888 30.300 0.020 0.000 1.275 468 R HN 0.914 nan 8.270 nan 0.000 0.464 469 S N 0.448 116.142 115.700 -0.010 0.000 2.561 469 S HA -0.031 4.439 4.470 -0.001 0.000 0.294 469 S C 1.412 175.949 174.600 -0.105 0.000 1.294 469 S CA 0.700 58.853 58.200 -0.078 0.000 1.055 469 S CB 0.607 63.744 63.200 -0.104 0.000 0.819 469 S HN 0.763 nan 8.310 nan 0.000 0.503 470 G N 3.442 112.155 108.800 -0.144 0.000 2.985 470 G HA2 0.163 4.123 3.960 -0.001 0.000 0.209 470 G HA3 0.163 4.123 3.960 -0.001 0.000 0.209 470 G C 0.247 175.049 174.900 -0.164 0.000 1.165 470 G CA -0.226 44.797 45.100 -0.128 0.000 0.776 470 G HN 0.689 nan 8.290 nan 0.000 0.541 471 V N 0.903 120.664 119.914 -0.255 0.000 2.583 471 V HA -0.067 4.052 4.120 -0.001 0.000 0.302 471 V C 0.965 176.970 176.094 -0.150 0.000 1.033 471 V CA 1.153 63.266 62.300 -0.312 0.000 1.194 471 V CB 0.715 32.222 31.823 -0.527 0.000 0.879 471 V HN 0.532 nan 8.190 nan 0.000 0.482 472 Q N 3.338 123.066 119.800 -0.120 0.000 2.210 472 Q HA 0.213 4.553 4.340 -0.001 0.000 0.252 472 Q C 0.234 176.212 176.000 -0.036 0.000 0.811 472 Q CA -0.017 55.751 55.803 -0.059 0.000 0.953 472 Q CB 1.004 29.709 28.738 -0.054 0.000 1.136 472 Q HN 0.887 nan 8.270 nan 0.000 0.491 473 K N -1.644 118.726 120.400 -0.051 0.000 2.502 473 K HA 0.714 5.034 4.320 -0.001 0.000 0.257 473 K C 0.224 176.830 176.600 0.011 0.000 0.938 473 K CA -0.135 56.143 56.287 -0.016 0.000 0.819 473 K CB 1.434 33.917 32.500 -0.029 0.000 1.333 473 K HN -0.131 nan 8.250 nan 0.000 0.434 474 A N 1.678 124.535 122.820 0.063 0.000 1.927 474 A HA -0.239 4.080 4.320 -0.001 0.000 0.220 474 A C 1.572 179.217 177.584 0.102 0.000 1.185 474 A CA 2.134 54.252 52.037 0.134 0.000 0.639 474 A CB -0.880 18.166 19.000 0.078 0.000 0.820 474 A HN 0.911 nan 8.150 nan 0.000 0.451 475 E N 0.648 120.857 120.200 0.015 0.000 2.219 475 E HA -0.158 4.191 4.350 -0.001 0.000 0.198 475 E C 1.354 177.913 176.600 -0.069 0.000 0.998 475 E CA 1.224 57.605 56.400 -0.031 0.000 0.818 475 E CB -0.310 29.362 29.700 -0.048 0.000 0.741 475 E HN 0.610 nan 8.360 nan 0.000 0.477 476 D N -0.870 119.469 120.400 -0.101 0.000 2.264 476 D HA -0.137 4.502 4.640 -0.001 0.000 0.208 476 D C 0.819 176.973 176.300 -0.243 0.000 0.966 476 D CA 0.609 54.485 54.000 -0.207 0.000 0.864 476 D CB -0.252 40.369 40.800 -0.298 0.000 0.933 476 D HN 0.402 nan 8.370 nan 0.000 0.499 477 W N 0.644 121.894 121.300 -0.084 0.000 3.204 477 W HA 0.148 4.807 4.660 -0.001 0.000 0.249 477 W C 1.503 177.928 176.519 -0.157 0.000 1.322 477 W CA -0.135 57.173 57.345 -0.062 0.000 1.593 477 W CB 0.002 29.440 29.460 -0.036 0.000 1.122 477 W HN -0.063 nan 8.180 nan 0.000 0.710 478 L N 0.288 121.417 121.223 -0.156 0.000 2.640 478 L HA 0.115 4.455 4.340 -0.001 0.000 0.230 478 L C 0.918 177.410 176.870 -0.628 0.000 1.123 478 L CA -0.030 54.401 54.840 -0.682 0.000 0.900 478 L CB -0.438 41.316 42.059 -0.507 0.000 1.146 478 L HN -0.126 nan 8.230 nan 0.000 0.484 479 N N 1.836 120.401 118.700 -0.224 0.000 2.422 479 N HA 0.109 4.849 4.740 -0.001 0.000 0.264 479 N C -1.654 173.912 175.510 0.093 0.000 1.063 479 N CA -1.480 51.517 53.050 -0.088 0.000 0.959 479 N CB 1.879 40.309 38.487 -0.094 0.000 1.087 479 N HN -0.116 nan 8.380 nan 0.000 0.483 480 P HA -0.144 nan 4.420 nan 0.000 0.216 480 P C 0.382 177.756 177.300 0.123 0.000 1.150 480 P CA 1.286 64.513 63.100 0.213 0.000 0.837 480 P CB 0.488 32.278 31.700 0.151 0.000 0.786 481 D N -0.385 120.056 120.400 0.068 0.000 2.178 481 D HA -0.067 4.573 4.640 -0.001 0.000 0.202 481 D C 2.109 178.439 176.300 0.049 0.000 0.974 481 D CA 0.807 54.834 54.000 0.046 0.000 0.841 481 D CB -0.322 40.486 40.800 0.013 0.000 0.953 481 D HN 0.068 nan 8.370 nan 0.000 0.478 482 V N 0.856 120.785 119.914 0.024 0.000 2.453 482 V HA -0.162 3.957 4.120 -0.001 0.000 0.247 482 V C 2.633 178.809 176.094 0.136 0.000 1.048 482 V CA 0.854 63.134 62.300 -0.033 0.000 1.049 482 V CB -0.196 31.499 31.823 -0.213 0.000 0.672 482 V HN 0.034 nan 8.190 nan 0.000 0.457 483 V N -0.323 119.752 119.914 0.268 0.000 2.283 483 V HA -0.206 3.913 4.120 -0.001 0.000 0.243 483 V C 2.310 178.635 176.094 0.385 0.000 1.039 483 V CA 1.772 64.339 62.300 0.445 0.000 1.016 483 V CB -0.467 31.585 31.823 0.381 0.000 0.650 483 V HN 0.408 nan 8.190 nan 0.000 0.449 484 L N -0.026 121.322 121.223 0.208 0.000 2.012 484 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 484 L C 2.655 179.644 176.870 0.197 0.000 1.073 484 L CA 2.195 57.125 54.840 0.150 0.000 0.748 484 L CB -0.572 41.528 42.059 0.067 0.000 0.891 484 L HN 0.472 nan 8.230 nan 0.000 0.431 485 E N 0.249 120.555 120.200 0.176 0.000 2.058 485 E HA -0.276 4.073 4.350 -0.001 0.000 0.194 485 E C 2.182 178.916 176.600 0.224 0.000 0.997 485 E CA 1.349 57.845 56.400 0.160 0.000 0.801 485 E CB -0.017 29.744 29.700 0.102 0.000 0.746 485 E HN 0.466 nan 8.360 nan 0.000 0.450 486 A N 0.339 123.357 122.820 0.329 0.000 1.883 486 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 486 A C 1.946 179.781 177.584 0.420 0.000 1.186 486 A CA 1.476 53.777 52.037 0.440 0.000 0.624 486 A CB -0.939 18.443 19.000 0.636 0.000 0.822 486 A HN 0.370 nan 8.150 nan 0.000 0.444 487 F N 0.244 120.390 119.950 0.327 0.000 2.186 487 F HA -0.068 4.458 4.527 -0.001 0.000 0.299 487 F C 2.464 178.242 175.800 -0.038 0.000 1.090 487 F CA 1.626 59.735 58.000 0.182 0.000 1.307 487 F CB -0.315 38.775 39.000 0.149 0.000 1.019 487 F HN 0.331 nan 8.300 nan 0.000 0.489 488 E N -0.032 120.236 120.200 0.112 0.000 2.047 488 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 488 E C 2.449 179.127 176.600 0.131 0.000 0.987 488 E CA 1.018 57.379 56.400 -0.065 0.000 0.799 488 E CB -0.386 29.313 29.700 -0.002 0.000 0.752 488 E HN 0.346 nan 8.360 nan 0.000 0.449 489 A N 2.128 125.024 122.820 0.126 0.000 1.877 489 A HA -0.221 4.099 4.320 -0.001 0.000 0.216 489 A C 2.173 179.758 177.584 0.002 0.000 1.186 489 A CA 1.509 53.606 52.037 0.100 0.000 0.620 489 A CB -0.524 18.535 19.000 0.098 0.000 0.822 489 A HN 0.064 nan 8.150 nan 0.000 0.443 490 R N 0.053 120.467 120.500 -0.144 0.000 2.091 490 R HA -0.137 4.203 4.340 -0.001 0.000 0.238 490 R C 2.215 178.382 176.300 -0.220 0.000 1.136 490 R CA 1.829 57.706 56.100 -0.372 0.000 0.959 490 R CB -0.633 29.031 30.300 -1.061 0.000 0.856 490 R HN 0.423 nan 8.270 nan 0.000 0.437 491 A N 1.412 124.174 122.820 -0.097 0.000 1.855 491 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 491 A C 2.165 179.839 177.584 0.149 0.000 1.191 491 A CA 1.177 53.246 52.037 0.054 0.000 0.613 491 A CB -0.673 18.424 19.000 0.162 0.000 0.829 491 A HN 0.366 nan 8.150 nan 0.000 0.442 492 L N -0.020 121.358 121.223 0.258 0.000 2.042 492 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 492 L C 2.410 179.319 176.870 0.065 0.000 1.076 492 L CA 2.621 57.574 54.840 0.187 0.000 0.749 492 L CB -0.704 41.484 42.059 0.215 0.000 0.893 492 L HN 0.434 nan 8.230 nan 0.000 0.432 493 R N -0.367 120.155 120.500 0.037 0.000 2.083 493 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 493 R C 2.125 178.416 176.300 -0.016 0.000 1.137 493 R CA 2.378 58.478 56.100 0.000 0.000 0.951 493 R CB -0.592 29.694 30.300 -0.023 0.000 0.851 493 R HN 0.461 nan 8.270 nan 0.000 0.434 494 M N -0.384 119.197 119.600 -0.033 0.000 2.117 494 M HA -0.066 4.413 4.480 -0.001 0.000 0.262 494 M C 2.302 178.589 176.300 -0.022 0.000 1.065 494 M CA 1.915 57.191 55.300 -0.039 0.000 1.114 494 M CB -0.319 32.244 32.600 -0.062 0.000 1.361 494 M HN 0.356 nan 8.290 nan 0.000 0.408 495 A N -0.187 122.631 122.820 -0.004 0.000 1.873 495 A HA -0.085 4.234 4.320 -0.001 0.000 0.215 495 A C 2.223 179.796 177.584 -0.019 0.000 1.186 495 A CA 1.480 53.510 52.037 -0.012 0.000 0.616 495 A CB -0.965 18.029 19.000 -0.009 0.000 0.823 495 A HN 0.282 nan 8.150 nan 0.000 0.442 496 V N -0.079 119.827 119.914 -0.014 0.000 2.407 496 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 496 V C 2.713 178.802 176.094 -0.008 0.000 1.055 496 V CA 2.431 64.722 62.300 -0.014 0.000 1.049 496 V CB -1.210 30.607 31.823 -0.010 0.000 0.662 496 V HN 0.610 nan 8.190 nan 0.000 0.455 497 T N -1.371 113.178 114.554 -0.009 0.000 2.777 497 T HA -0.209 4.141 4.350 -0.001 0.000 0.266 497 T C 1.958 176.657 174.700 -0.002 0.000 1.040 497 T CA 1.850 63.947 62.100 -0.005 0.000 1.141 497 T CB -0.465 68.396 68.868 -0.011 0.000 0.868 497 T HN 0.527 nan 8.240 nan 0.000 0.444 498 C N 1.536 120.828 119.300 -0.014 0.000 2.425 498 C HA 0.092 4.552 4.460 -0.001 0.000 0.277 498 C C 3.194 178.184 174.990 0.000 0.000 1.280 498 C CA 0.374 59.379 59.018 -0.022 0.000 1.744 498 C CB -1.375 26.334 27.740 -0.051 0.000 1.989 498 C HN 0.658 nan 8.230 nan 0.000 0.491 499 A N 0.611 123.433 122.820 0.004 0.000 1.873 499 A HA -0.190 4.129 4.320 -0.001 0.000 0.215 499 A C 2.150 179.755 177.584 0.036 0.000 1.186 499 A CA 1.628 53.676 52.037 0.018 0.000 0.616 499 A CB -0.442 18.559 19.000 0.001 0.000 0.823 499 A HN 0.684 nan 8.150 nan 0.000 0.442 500 K N -0.173 120.244 120.400 0.027 0.000 2.026 500 K HA -0.123 4.197 4.320 -0.001 0.000 0.208 500 K C 1.700 178.337 176.600 0.063 0.000 1.048 500 K CA 1.426 57.734 56.287 0.035 0.000 0.929 500 K CB -0.258 32.254 32.500 0.019 0.000 0.713 500 K HN 0.389 nan 8.250 nan 0.000 0.439 501 N N 1.081 119.825 118.700 0.073 0.000 2.223 501 N HA -0.112 4.627 4.740 -0.001 0.000 0.185 501 N C 1.826 177.491 175.510 0.259 0.000 1.016 501 N CA 0.927 54.057 53.050 0.132 0.000 0.863 501 N CB -0.127 38.427 38.487 0.112 0.000 0.983 501 N HN 0.164 nan 8.380 nan 0.000 0.429 502 L N 0.883 122.210 121.223 0.174 0.000 2.005 502 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 502 L C 2.428 179.459 176.870 0.268 0.000 1.072 502 L CA 1.267 56.223 54.840 0.194 0.000 0.744 502 L CB -0.746 41.368 42.059 0.092 0.000 0.895 502 L HN 0.216 nan 8.230 nan 0.000 0.433 503 S N 0.773 116.567 115.700 0.157 0.000 2.462 503 S HA -0.229 4.241 4.470 -0.001 0.000 0.243 503 S C 1.478 176.147 174.600 0.115 0.000 1.003 503 S CA 1.336 59.606 58.200 0.117 0.000 0.970 503 S CB -0.607 62.632 63.200 0.064 0.000 0.762 503 S HN 0.593 nan 8.310 nan 0.000 0.510 504 K N -0.252 120.224 120.400 0.127 0.000 2.520 504 K HA 0.316 4.636 4.320 -0.001 0.000 0.205 504 K C -0.845 175.670 176.600 -0.142 0.000 1.035 504 K CA -0.429 55.850 56.287 -0.014 0.000 1.188 504 K CB -0.274 32.172 32.500 -0.090 0.000 0.894 504 K HN 0.334 nan 8.250 nan 0.000 0.497 505 F N 0.846 120.804 119.950 0.013 0.000 2.508 505 F HA 0.267 4.793 4.527 -0.001 0.000 0.325 505 F C 1.661 177.471 175.800 0.016 0.000 1.090 505 F CA -0.377 57.633 58.000 0.016 0.000 0.945 505 F CB 1.925 40.940 39.000 0.025 0.000 1.156 505 F HN 0.168 nan 8.300 nan 0.000 0.463 506 E N 1.440 121.742 120.200 0.171 0.000 2.028 506 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 506 E C 0.677 177.348 176.600 0.118 0.000 0.988 506 E CA 1.372 57.837 56.400 0.107 0.000 0.799 506 E CB -0.289 29.453 29.700 0.070 0.000 0.755 506 E HN 0.433 nan 8.360 nan 0.000 0.447 507 N N 0.839 119.626 118.700 0.146 0.000 2.439 507 N HA 0.031 4.771 4.740 -0.001 0.000 0.249 507 N C 0.579 176.146 175.510 0.096 0.000 1.003 507 N CA -0.246 52.863 53.050 0.098 0.000 0.942 507 N CB 1.402 39.936 38.487 0.079 0.000 1.115 507 N HN 0.172 nan 8.380 nan 0.000 0.505 508 Q N 1.721 121.562 119.800 0.068 0.000 2.181 508 Q HA -0.184 4.156 4.340 -0.001 0.000 0.205 508 Q C 0.884 176.894 176.000 0.017 0.000 0.980 508 Q CA 1.395 57.228 55.803 0.050 0.000 0.862 508 Q CB 0.125 28.886 28.738 0.039 0.000 0.905 508 Q HN 0.654 nan 8.270 nan 0.000 0.429 509 E N 0.792 120.992 120.200 0.000 0.000 2.152 509 E HA -0.116 4.234 4.350 -0.001 0.000 0.192 509 E C 1.849 178.451 176.600 0.004 0.000 0.983 509 E CA 1.008 57.404 56.400 -0.007 0.000 0.818 509 E CB 0.065 29.745 29.700 -0.032 0.000 0.758 509 E HN 0.333 nan 8.360 nan 0.000 0.467 510 Q N -0.814 118.972 119.800 -0.024 0.000 2.079 510 Q HA -0.071 4.269 4.340 -0.001 0.000 0.200 510 Q C 2.119 177.951 176.000 -0.280 0.000 0.974 510 Q CA 1.299 57.068 55.803 -0.058 0.000 0.840 510 Q CB -0.303 28.454 28.738 0.032 0.000 0.898 510 Q HN 0.432 nan 8.270 nan 0.000 0.430 511 G N 0.171 108.655 108.800 -0.527 0.000 2.418 511 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.217 511 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.217 511 G C 1.177 175.710 174.900 -0.612 0.000 1.158 511 G CA 0.363 44.655 45.100 -1.346 0.000 0.771 511 G HN 0.306 nan 8.290 nan 0.000 0.545 512 F N 1.131 120.864 119.950 -0.362 0.000 2.126 512 F HA -0.109 4.418 4.527 -0.001 0.000 0.299 512 F C 2.946 178.639 175.800 -0.178 0.000 1.096 512 F CA 1.803 59.679 58.000 -0.208 0.000 1.255 512 F CB 0.112 39.036 39.000 -0.127 0.000 0.997 512 F HN 0.071 nan 8.300 nan 0.000 0.479 513 Q N 0.048 119.865 119.800 0.027 0.000 2.119 513 Q HA -0.211 4.128 4.340 -0.001 0.000 0.201 513 Q C 2.123 178.060 176.000 -0.105 0.000 0.972 513 Q CA 1.593 57.391 55.803 -0.008 0.000 0.847 513 Q CB -0.581 28.168 28.738 0.018 0.000 0.903 513 Q HN 0.457 nan 8.270 nan 0.000 0.433 514 E N 0.720 120.812 120.200 -0.181 0.000 2.106 514 E HA -0.078 4.272 4.350 -0.001 0.000 0.192 514 E C 1.178 177.695 176.600 -0.138 0.000 0.984 514 E CA 0.831 57.146 56.400 -0.142 0.000 0.806 514 E CB -0.036 29.557 29.700 -0.178 0.000 0.750 514 E HN 0.288 nan 8.360 nan 0.000 0.458 515 L N 0.744 121.829 121.223 -0.230 0.000 2.728 515 L HA 0.194 4.533 4.340 -0.001 0.000 0.235 515 L C 1.561 178.272 176.870 -0.265 0.000 1.197 515 L CA -0.274 54.444 54.840 -0.204 0.000 0.992 515 L CB -0.061 41.875 42.059 -0.204 0.000 1.263 515 L HN 0.148 nan 8.230 nan 0.000 0.484 516 L N 0.587 121.658 121.223 -0.255 0.000 2.021 516 L HA -0.296 4.044 4.340 -0.001 0.000 0.215 516 L C 2.887 179.655 176.870 -0.170 0.000 1.074 516 L CA 1.799 56.487 54.840 -0.252 0.000 0.760 516 L CB -0.507 41.474 42.059 -0.131 0.000 0.889 516 L HN 0.485 nan 8.230 nan 0.000 0.433 517 A N -0.126 122.629 122.820 -0.107 0.000 1.883 517 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 517 A C 1.833 179.372 177.584 -0.075 0.000 1.186 517 A CA 2.249 54.246 52.037 -0.067 0.000 0.624 517 A CB -0.638 18.338 19.000 -0.040 0.000 0.822 517 A HN 0.403 nan 8.150 nan 0.000 0.444 518 D N -0.105 120.239 120.400 -0.093 0.000 2.144 518 D HA -0.092 4.548 4.640 -0.001 0.000 0.199 518 D C 1.845 178.081 176.300 -0.106 0.000 0.984 518 D CA 0.935 54.884 54.000 -0.085 0.000 0.834 518 D CB -0.284 40.467 40.800 -0.081 0.000 0.955 518 D HN 0.454 nan 8.370 nan 0.000 0.465 519 L N -0.048 121.071 121.223 -0.173 0.000 2.093 519 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 519 L C 2.349 179.161 176.870 -0.097 0.000 1.085 519 L CA 0.518 55.244 54.840 -0.189 0.000 0.755 519 L CB -0.268 41.542 42.059 -0.414 0.000 0.904 519 L HN -0.022 nan 8.230 nan 0.000 0.435 520 V N -0.291 119.574 119.914 -0.081 0.000 2.427 520 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 520 V C 2.354 178.442 176.094 -0.010 0.000 1.051 520 V CA 1.665 63.950 62.300 -0.025 0.000 1.048 520 V CB -0.389 31.424 31.823 -0.018 0.000 0.666 520 V HN 0.442 nan 8.190 nan 0.000 0.456 521 E N 0.079 120.263 120.200 -0.028 0.000 2.106 521 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 521 E C 2.324 178.900 176.600 -0.040 0.000 0.984 521 E CA 1.239 57.620 56.400 -0.033 0.000 0.806 521 E CB -0.271 29.407 29.700 -0.037 0.000 0.750 521 E HN 0.604 nan 8.360 nan 0.000 0.458 522 A N 1.253 124.055 122.820 -0.030 0.000 1.930 522 A HA -0.065 4.254 4.320 -0.001 0.000 0.217 522 A C 2.338 179.954 177.584 0.053 0.000 1.175 522 A CA 1.516 53.549 52.037 -0.007 0.000 0.627 522 A CB -0.470 18.521 19.000 -0.015 0.000 0.815 522 A HN 0.291 nan 8.150 nan 0.000 0.443 523 A N -0.135 122.722 122.820 0.060 0.000 1.930 523 A HA -0.030 4.290 4.320 -0.001 0.000 0.217 523 A C 2.096 179.769 177.584 0.149 0.000 1.175 523 A CA 1.396 53.509 52.037 0.125 0.000 0.627 523 A CB -0.540 18.522 19.000 0.104 0.000 0.815 523 A HN 0.482 nan 8.150 nan 0.000 0.443 524 I N -0.292 120.325 120.570 0.079 0.000 2.226 524 I HA -0.272 3.898 4.170 -0.001 0.000 0.245 524 I C 2.958 179.109 176.117 0.056 0.000 1.100 524 I CA 1.006 62.345 61.300 0.064 0.000 1.374 524 I CB -0.274 37.736 38.000 0.017 0.000 1.057 524 I HN 0.362 nan 8.210 nan 0.000 0.413 525 A N 0.018 122.843 122.820 0.009 0.000 1.933 525 A HA -0.313 4.006 4.320 -0.001 0.000 0.218 525 A C 2.158 179.811 177.584 0.115 0.000 1.175 525 A CA 2.156 54.189 52.037 -0.006 0.000 0.628 525 A CB -0.951 17.993 19.000 -0.093 0.000 0.814 525 A HN 0.543 nan 8.150 nan 0.000 0.444 526 H N -0.619 118.500 119.070 0.081 0.000 2.321 526 H HA -0.151 4.404 4.556 -0.001 0.000 0.300 526 H C 2.009 177.416 175.328 0.132 0.000 1.087 526 H CA 2.229 58.360 56.048 0.139 0.000 1.319 526 H CB -0.683 29.199 29.762 0.199 0.000 1.379 526 H HN 0.417 nan 8.280 nan 0.000 0.501 527 C N 0.715 120.074 119.300 0.099 0.000 2.425 527 C HA -0.130 4.329 4.460 -0.001 0.000 0.277 527 C C 2.645 177.674 174.990 0.065 0.000 1.280 527 C CA 1.216 60.261 59.018 0.044 0.000 1.744 527 C CB -0.857 26.954 27.740 0.118 0.000 1.989 527 C HN 0.692 nan 8.230 nan 0.000 0.491 528 Q N 0.100 119.982 119.800 0.138 0.000 2.079 528 Q HA -0.168 4.171 4.340 -0.001 0.000 0.200 528 Q C 2.235 178.342 176.000 0.179 0.000 0.974 528 Q CA 1.177 57.124 55.803 0.240 0.000 0.840 528 Q CB -0.347 28.577 28.738 0.310 0.000 0.898 528 Q HN 0.635 nan 8.270 nan 0.000 0.430 529 L N 0.872 122.169 121.223 0.124 0.000 2.012 529 L HA -0.188 4.151 4.340 -0.001 0.000 0.210 529 L C 1.942 178.733 176.870 -0.131 0.000 1.073 529 L CA 1.671 56.514 54.840 0.004 0.000 0.748 529 L CB -0.402 41.590 42.059 -0.112 0.000 0.891 529 L HN 0.194 nan 8.230 nan 0.000 0.431 530 I N -1.359 119.103 120.570 -0.180 0.000 2.163 530 I HA -0.305 3.864 4.170 -0.001 0.000 0.243 530 I C 2.346 178.374 176.117 -0.148 0.000 1.085 530 I CA 1.464 62.630 61.300 -0.223 0.000 1.347 530 I CB -0.457 37.402 38.000 -0.235 0.000 1.044 530 I HN 0.136 nan 8.210 nan 0.000 0.408 531 V N 0.371 120.286 119.914 0.003 0.000 2.295 531 V HA -0.231 3.888 4.120 -0.001 0.000 0.246 531 V C 2.440 178.603 176.094 0.114 0.000 1.049 531 V CA 1.554 63.915 62.300 0.102 0.000 1.024 531 V CB -0.500 31.508 31.823 0.309 0.000 0.648 531 V HN 0.241 nan 8.190 nan 0.000 0.447 532 V N 1.106 121.079 119.914 0.098 0.000 2.343 532 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 532 V C 2.753 178.799 176.094 -0.079 0.000 1.051 532 V CA 2.332 64.620 62.300 -0.019 0.000 1.036 532 V CB -0.885 30.675 31.823 -0.438 0.000 0.654 532 V HN 0.772 nan 8.190 nan 0.000 0.451 533 S N -0.206 115.417 115.700 -0.129 0.000 2.402 533 S HA -0.185 4.285 4.470 -0.001 0.000 0.229 533 S C 1.931 176.452 174.600 -0.132 0.000 1.021 533 S CA 0.922 59.040 58.200 -0.137 0.000 0.974 533 S CB -0.311 62.787 63.200 -0.170 0.000 0.800 533 S HN 0.471 nan 8.310 nan 0.000 0.484 534 K N 0.660 120.968 120.400 -0.154 0.000 2.217 534 K HA 0.190 4.510 4.320 -0.001 0.000 0.202 534 K C 1.684 178.287 176.600 0.006 0.000 1.051 534 K CA 0.685 56.875 56.287 -0.162 0.000 0.952 534 K CB -0.737 31.623 32.500 -0.234 0.000 0.736 534 K HN 0.592 nan 8.250 nan 0.000 0.453 535 F N 1.197 121.100 119.950 -0.078 0.000 2.128 535 F HA -0.097 4.430 4.527 -0.001 0.000 0.295 535 F C 2.065 177.791 175.800 -0.124 0.000 1.100 535 F CA 0.594 58.575 58.000 -0.032 0.000 1.260 535 F CB 0.088 39.076 39.000 -0.020 0.000 1.009 535 F HN -0.148 nan 8.300 nan 0.000 0.476 536 I N 0.155 120.767 120.570 0.070 0.000 2.286 536 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 536 I C 2.607 178.711 176.117 -0.022 0.000 1.115 536 I CA 1.064 62.334 61.300 -0.050 0.000 1.392 536 I CB -0.675 37.272 38.000 -0.088 0.000 1.065 536 I HN 0.169 nan 8.210 nan 0.000 0.418 537 A N 0.657 123.454 122.820 -0.038 0.000 1.969 537 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 537 A C 2.253 179.790 177.584 -0.079 0.000 1.169 537 A CA 1.614 53.612 52.037 -0.065 0.000 0.635 537 A CB -0.346 18.593 19.000 -0.102 0.000 0.810 537 A HN 0.229 nan 8.150 nan 0.000 0.445 538 K N 0.374 120.716 120.400 -0.097 0.000 2.097 538 K HA 0.008 4.327 4.320 -0.001 0.000 0.206 538 K C 1.520 178.019 176.600 -0.169 0.000 1.049 538 K CA 1.321 57.474 56.287 -0.225 0.000 0.933 538 K CB -0.579 31.604 32.500 -0.527 0.000 0.717 538 K HN 0.473 nan 8.250 nan 0.000 0.442 539 L N 0.600 121.784 121.223 -0.066 0.000 2.465 539 L HA -0.050 4.290 4.340 -0.001 0.000 0.224 539 L C 1.551 178.403 176.870 -0.031 0.000 1.145 539 L CA 0.894 55.715 54.840 -0.033 0.000 0.834 539 L CB -0.322 41.742 42.059 0.007 0.000 0.944 539 L HN 0.257 nan 8.230 nan 0.000 0.451 540 E N -0.325 119.851 120.200 -0.040 0.000 2.435 540 E HA -0.021 4.328 4.350 -0.001 0.000 0.195 540 E C 0.499 177.076 176.600 -0.038 0.000 1.029 540 E CA 0.010 56.391 56.400 -0.031 0.000 0.865 540 E CB 0.210 29.891 29.700 -0.031 0.000 0.833 540 E HN 0.586 nan 8.360 nan 0.000 0.510 541 Q N 0.535 120.301 119.800 -0.055 0.000 2.318 541 Q HA 0.238 4.577 4.340 -0.001 0.000 0.222 541 Q C -0.029 175.950 176.000 -0.035 0.000 1.003 541 Q CA 0.075 55.848 55.803 -0.051 0.000 0.936 541 Q CB 0.531 29.224 28.738 -0.074 0.000 1.204 541 Q HN 0.207 nan 8.270 nan 0.000 0.524 542 D N 1.547 121.933 120.400 -0.023 0.000 2.339 542 D HA 0.438 5.078 4.640 -0.001 0.000 0.241 542 D C -0.533 175.763 176.300 -0.007 0.000 1.183 542 D CA -0.217 53.776 54.000 -0.011 0.000 0.859 542 D CB -0.129 40.669 40.800 -0.004 0.000 1.067 542 D HN 0.347 nan 8.370 nan 0.000 0.484 543 I N 2.468 123.037 120.570 -0.002 0.000 2.420 543 I HA 0.481 4.651 4.170 -0.001 0.000 0.282 543 I C 1.154 177.285 176.117 0.025 0.000 1.019 543 I CA -0.895 60.412 61.300 0.012 0.000 1.130 543 I CB 1.948 39.953 38.000 0.009 0.000 1.262 543 I HN 0.477 nan 8.210 nan 0.000 0.454 544 G N 3.674 112.491 108.800 0.029 0.000 2.572 544 G HA2 0.612 4.572 3.960 -0.001 0.000 0.261 544 G HA3 0.612 4.572 3.960 -0.001 0.000 0.261 544 G C 0.060 174.988 174.900 0.045 0.000 1.197 544 G CA -0.043 45.076 45.100 0.031 0.000 0.870 544 G HN 1.019 nan 8.290 nan 0.000 0.548 545 G N -0.271 108.556 108.800 0.044 0.000 3.101 545 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.672 545 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.672 545 G C -0.393 174.549 174.900 0.070 0.000 1.331 545 G CA -0.867 44.270 45.100 0.061 0.000 0.925 545 G HN 0.682 nan 8.290 nan 0.000 0.596 546 K N 0.965 121.403 120.400 0.062 0.000 2.430 546 K HA 0.342 4.661 4.320 -0.001 0.000 0.280 546 K C 1.602 178.270 176.600 0.114 0.000 1.063 546 K CA 1.322 57.647 56.287 0.063 0.000 1.071 546 K CB 0.548 33.071 32.500 0.039 0.000 0.899 546 K HN 2.085 nan 8.250 nan 0.000 0.473 547 G N 1.821 110.677 108.800 0.094 0.000 2.196 547 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.268 547 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.268 547 G C 0.952 175.910 174.900 0.097 0.000 0.975 547 G CA 0.514 45.680 45.100 0.109 0.000 0.648 547 G HN 0.436 nan 8.290 nan 0.000 0.538 548 V N 0.946 120.924 119.914 0.106 0.000 2.237 548 V HA -0.177 3.943 4.120 -0.001 0.000 0.245 548 V C 2.712 178.789 176.094 -0.029 0.000 1.046 548 V CA 2.934 65.262 62.300 0.047 0.000 1.007 548 V CB -0.509 31.378 31.823 0.106 0.000 0.638 548 V HN 0.582 nan 8.190 nan 0.000 0.445 549 K N 0.322 120.727 120.400 0.007 0.000 2.103 549 K HA -0.293 4.027 4.320 -0.001 0.000 0.207 549 K C 2.179 178.766 176.600 -0.021 0.000 1.048 549 K CA 1.961 58.248 56.287 0.001 0.000 0.930 549 K CB -0.136 32.368 32.500 0.008 0.000 0.716 549 K HN 0.299 nan 8.250 nan 0.000 0.444 550 K N 0.754 121.137 120.400 -0.029 0.000 2.057 550 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 550 K C 2.112 178.658 176.600 -0.090 0.000 1.049 550 K CA 1.621 57.883 56.287 -0.041 0.000 0.931 550 K CB -0.075 32.411 32.500 -0.024 0.000 0.714 550 K HN 0.146 nan 8.250 nan 0.000 0.440 551 Q N 0.240 119.936 119.800 -0.173 0.000 2.119 551 Q HA -0.032 4.307 4.340 -0.001 0.000 0.201 551 Q C 2.209 178.060 176.000 -0.248 0.000 0.972 551 Q CA 1.221 56.847 55.803 -0.296 0.000 0.847 551 Q CB -0.180 28.177 28.738 -0.635 0.000 0.903 551 Q HN 0.379 nan 8.270 nan 0.000 0.433 552 L N 0.502 121.634 121.223 -0.152 0.000 2.141 552 L HA -0.183 4.157 4.340 -0.001 0.000 0.209 552 L C 2.149 178.999 176.870 -0.034 0.000 1.094 552 L CA 1.098 55.944 54.840 0.010 0.000 0.763 552 L CB -0.412 41.755 42.059 0.180 0.000 0.908 552 L HN 0.262 nan 8.230 nan 0.000 0.437 553 N N 0.142 118.817 118.700 -0.042 0.000 2.142 553 N HA -0.186 4.553 4.740 -0.001 0.000 0.186 553 N C 1.697 177.214 175.510 0.013 0.000 1.023 553 N CA 1.227 54.276 53.050 -0.002 0.000 0.852 553 N CB 0.068 38.582 38.487 0.046 0.000 0.998 553 N HN 0.186 nan 8.380 nan 0.000 0.424 554 N N 0.459 119.134 118.700 -0.042 0.000 2.043 554 N HA -0.133 4.607 4.740 -0.001 0.000 0.193 554 N C 1.702 177.171 175.510 -0.068 0.000 1.037 554 N CA 1.031 54.056 53.050 -0.041 0.000 0.851 554 N CB -0.506 37.925 38.487 -0.093 0.000 1.027 554 N HN 0.328 nan 8.380 nan 0.000 0.422 555 L N 0.213 121.354 121.223 -0.136 0.000 2.046 555 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 555 L C 2.813 179.528 176.870 -0.258 0.000 1.077 555 L CA 0.784 55.560 54.840 -0.106 0.000 0.747 555 L CB -0.584 41.441 42.059 -0.056 0.000 0.896 555 L HN 0.299 nan 8.230 nan 0.000 0.432 556 C N -0.190 118.657 119.300 -0.756 0.000 2.398 556 C HA -0.262 4.198 4.460 -0.001 0.000 0.276 556 C C 2.748 177.291 174.990 -0.746 0.000 1.222 556 C CA 0.957 59.100 59.018 -1.459 0.000 1.746 556 C CB -0.811 26.007 27.740 -1.536 0.000 2.039 556 C HN 0.507 nan 8.230 nan 0.000 0.470 557 Y N 0.367 120.511 120.300 -0.261 0.000 2.457 557 Y HA 0.158 4.707 4.550 -0.001 0.000 0.292 557 Y C 2.304 178.169 175.900 -0.058 0.000 1.125 557 Y CA 0.992 59.021 58.100 -0.118 0.000 1.254 557 Y CB -0.308 38.102 38.460 -0.082 0.000 1.012 557 Y HN 0.301 nan 8.280 nan 0.000 0.555 558 I N -1.321 119.282 120.570 0.054 0.000 2.202 558 I HA -0.334 3.836 4.170 -0.001 0.000 0.242 558 I C 2.234 178.448 176.117 0.162 0.000 1.091 558 I CA 1.360 62.716 61.300 0.092 0.000 1.368 558 I CB -0.344 37.743 38.000 0.146 0.000 1.058 558 I HN 0.207 nan 8.210 nan 0.000 0.410 559 Y N 1.768 122.089 120.300 0.036 0.000 2.097 559 Y HA -0.328 4.221 4.550 -0.001 0.000 0.282 559 Y C 2.504 178.488 175.900 0.141 0.000 1.152 559 Y CA 1.627 59.793 58.100 0.110 0.000 1.136 559 Y CB -0.589 37.933 38.460 0.103 0.000 0.975 559 Y HN 0.130 nan 8.280 nan 0.000 0.498 560 A N 0.316 123.112 122.820 -0.040 0.000 1.858 560 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 560 A C 2.328 179.955 177.584 0.072 0.000 1.190 560 A CA 1.963 53.943 52.037 -0.095 0.000 0.617 560 A CB -1.239 17.652 19.000 -0.183 0.000 0.827 560 A HN 0.547 nan 8.150 nan 0.000 0.443 561 L N -2.069 119.165 121.223 0.018 0.000 2.201 561 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 561 L C 2.577 179.404 176.870 -0.072 0.000 1.105 561 L CA 1.504 56.282 54.840 -0.103 0.000 0.775 561 L CB -0.597 41.383 42.059 -0.131 0.000 0.913 561 L HN 0.613 nan 8.230 nan 0.000 0.440 562 Y N 0.787 121.039 120.300 -0.080 0.000 2.200 562 Y HA -0.184 4.366 4.550 -0.001 0.000 0.290 562 Y C 2.300 178.192 175.900 -0.013 0.000 1.137 562 Y CA 1.378 59.458 58.100 -0.033 0.000 1.163 562 Y CB -0.119 38.358 38.460 0.029 0.000 0.988 562 Y HN -0.019 nan 8.280 nan 0.000 0.518 563 L N -0.473 120.716 121.223 -0.056 0.000 2.093 563 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 563 L C 2.511 179.360 176.870 -0.034 0.000 1.085 563 L CA 1.191 56.028 54.840 -0.005 0.000 0.755 563 L CB -0.606 41.577 42.059 0.207 0.000 0.904 563 L HN 0.332 nan 8.230 nan 0.000 0.435 564 L N -0.709 120.396 121.223 -0.197 0.000 2.012 564 L HA -0.294 4.045 4.340 -0.001 0.000 0.210 564 L C 2.853 179.444 176.870 -0.465 0.000 1.073 564 L CA 1.486 55.886 54.840 -0.735 0.000 0.748 564 L CB -0.486 41.000 42.059 -0.955 0.000 0.891 564 L HN 0.367 nan 8.230 nan 0.000 0.431 565 H N 0.308 119.120 119.070 -0.429 0.000 2.326 565 H HA -0.237 4.319 4.556 -0.001 0.000 0.301 565 H C 2.196 177.323 175.328 -0.335 0.000 1.081 565 H CA 2.113 57.951 56.048 -0.350 0.000 1.334 565 H CB 0.135 29.713 29.762 -0.307 0.000 1.385 565 H HN 0.335 nan 8.280 nan 0.000 0.504 566 K N -0.362 119.834 120.400 -0.341 0.000 2.147 566 K HA -0.143 4.177 4.320 -0.001 0.000 0.205 566 K C 0.622 176.920 176.600 -0.503 0.000 1.049 566 K CA 1.322 57.323 56.287 -0.476 0.000 0.936 566 K CB 0.011 32.091 32.500 -0.701 0.000 0.722 566 K HN 0.430 nan 8.250 nan 0.000 0.446 567 H N 0.222 119.233 119.070 -0.098 0.000 2.469 567 H HA 0.032 4.588 4.556 -0.001 0.000 0.286 567 H C 1.116 176.487 175.328 0.072 0.000 1.106 567 H CA -0.184 55.867 56.048 0.005 0.000 1.055 567 H CB 0.692 30.504 29.762 0.083 0.000 1.618 567 H HN 0.130 nan 8.280 nan 0.000 0.559 568 L N 1.222 122.437 121.223 -0.014 0.000 2.034 568 L HA -0.163 4.176 4.340 -0.001 0.000 0.217 568 L C 2.394 179.308 176.870 0.074 0.000 1.077 568 L CA 2.261 57.082 54.840 -0.032 0.000 0.769 568 L CB -0.846 41.079 42.059 -0.224 0.000 0.890 568 L HN 0.384 nan 8.230 nan 0.000 0.435 569 G N -1.360 107.456 108.800 0.025 0.000 2.469 569 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.220 569 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.220 569 G C 1.267 176.186 174.900 0.031 0.000 1.136 569 G CA 1.011 46.124 45.100 0.021 0.000 0.759 569 G HN 0.485 nan 8.290 nan 0.000 0.562 570 D N 0.362 120.785 120.400 0.037 0.000 2.117 570 D HA -0.055 4.584 4.640 -0.001 0.000 0.197 570 D C 2.177 178.374 176.300 -0.173 0.000 0.987 570 D CA 0.655 54.593 54.000 -0.104 0.000 0.829 570 D CB -0.388 40.271 40.800 -0.235 0.000 0.961 570 D HN 0.391 nan 8.370 nan 0.000 0.460 571 F N 0.598 120.494 119.950 -0.089 0.000 2.163 571 F HA 0.045 4.572 4.527 -0.001 0.000 0.297 571 F C 2.388 178.171 175.800 -0.029 0.000 1.094 571 F CA 0.439 58.393 58.000 -0.076 0.000 1.290 571 F CB -0.545 38.388 39.000 -0.111 0.000 1.017 571 F HN -0.104 nan 8.300 nan 0.000 0.483 572 L N -0.919 120.395 121.223 0.152 0.000 2.275 572 L HA -0.171 4.168 4.340 -0.001 0.000 0.215 572 L C 2.180 179.079 176.870 0.048 0.000 1.119 572 L CA 0.794 55.686 54.840 0.085 0.000 0.790 572 L CB -0.664 41.424 42.059 0.049 0.000 0.919 572 L HN 0.085 nan 8.230 nan 0.000 0.443 573 S N -0.938 114.776 115.700 0.024 0.000 2.453 573 S HA -0.112 4.358 4.470 -0.001 0.000 0.231 573 S C 2.015 176.619 174.600 0.006 0.000 1.005 573 S CA 1.458 59.660 58.200 0.004 0.000 0.949 573 S CB -0.177 63.013 63.200 -0.017 0.000 0.774 573 S HN 0.625 nan 8.310 nan 0.000 0.510 574 T N -0.165 114.395 114.554 0.011 0.000 3.055 574 T HA 0.045 4.395 4.350 -0.001 0.000 0.265 574 T C 0.750 175.475 174.700 0.040 0.000 1.111 574 T CA 0.565 62.675 62.100 0.018 0.000 1.118 574 T CB -0.262 68.615 68.868 0.015 0.000 0.909 574 T HN 0.310 nan 8.240 nan 0.000 0.501 575 N N -0.821 117.909 118.700 0.050 0.000 2.863 575 N HA -0.191 4.548 4.740 -0.001 0.000 0.245 575 N C 0.888 176.436 175.510 0.063 0.000 1.001 575 N CA 1.014 54.095 53.050 0.051 0.000 0.901 575 N CB -2.021 36.489 38.487 0.038 0.000 1.124 575 N HN 0.615 nan 8.380 nan 0.000 0.582 576 c N 0.548 119.197 118.600 0.081 0.000 2.673 576 c HA 0.395 4.965 4.570 -0.001 0.000 0.264 576 c C 0.843 175.003 174.090 0.117 0.000 1.304 576 c CA -0.050 56.334 56.329 0.091 0.000 1.727 576 c CB -0.469 42.102 42.510 0.102 0.000 1.932 576 c HN 0.307 nan 8.230 nan 0.000 0.563 577 I N 0.725 121.381 120.570 0.143 0.000 2.533 577 I HA 0.278 4.448 4.170 -0.001 0.000 0.290 577 I C -0.001 176.194 176.117 0.130 0.000 1.056 577 I CA 0.027 61.435 61.300 0.181 0.000 1.057 577 I CB 2.042 40.205 38.000 0.272 0.000 1.240 577 I HN -0.054 nan 8.210 nan 0.000 0.423 578 T N 5.428 120.052 114.554 0.116 0.000 2.944 578 T HA 0.374 4.724 4.350 -0.001 0.000 0.284 578 T C -1.900 172.847 174.700 0.077 0.000 1.010 578 T CA -2.014 60.134 62.100 0.080 0.000 1.025 578 T CB 1.785 70.690 68.868 0.061 0.000 1.079 578 T HN 0.262 nan 8.240 nan 0.000 0.516 579 P HA -0.053 nan 4.420 nan 0.000 0.218 579 P C 1.325 178.651 177.300 0.043 0.000 1.148 579 P CA 1.041 64.162 63.100 0.034 0.000 0.822 579 P CB 0.183 31.895 31.700 0.020 0.000 0.784 580 K N -0.016 120.416 120.400 0.052 0.000 2.057 580 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 580 K C 2.017 178.676 176.600 0.099 0.000 1.050 580 K CA 1.343 57.665 56.287 0.058 0.000 0.935 580 K CB -0.172 32.355 32.500 0.046 0.000 0.715 580 K HN 0.142 nan 8.250 nan 0.000 0.439 581 Q N -0.397 119.486 119.800 0.138 0.000 2.230 581 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 581 Q C 1.946 178.146 176.000 0.335 0.000 0.963 581 Q CA 1.052 57.014 55.803 0.266 0.000 0.866 581 Q CB 0.039 28.938 28.738 0.267 0.000 0.931 581 Q HN 0.364 nan 8.270 nan 0.000 0.452 582 A N 0.299 123.206 122.820 0.145 0.000 1.929 582 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 582 A C 2.156 179.717 177.584 -0.038 0.000 1.176 582 A CA 1.451 53.481 52.037 -0.011 0.000 0.628 582 A CB -0.482 18.496 19.000 -0.036 0.000 0.816 582 A HN 0.260 nan 8.150 nan 0.000 0.444 583 S N -0.660 115.053 115.700 0.022 0.000 2.423 583 S HA -0.002 4.468 4.470 -0.001 0.000 0.231 583 S C 1.820 176.436 174.600 0.027 0.000 1.014 583 S CA 0.990 59.200 58.200 0.017 0.000 0.965 583 S CB -0.440 62.777 63.200 0.027 0.000 0.785 583 S HN 0.503 nan 8.310 nan 0.000 0.495 584 L N 0.758 122.036 121.223 0.092 0.000 2.156 584 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 584 L C 2.824 179.756 176.870 0.103 0.000 1.095 584 L CA 1.046 55.975 54.840 0.148 0.000 0.770 584 L CB -0.573 41.647 42.059 0.268 0.000 0.914 584 L HN 0.358 nan 8.230 nan 0.000 0.439 585 A N 0.261 123.004 122.820 -0.128 0.000 1.930 585 A HA -0.242 4.077 4.320 -0.001 0.000 0.217 585 A C 2.037 179.436 177.584 -0.308 0.000 1.175 585 A CA 2.037 53.710 52.037 -0.607 0.000 0.627 585 A CB -0.659 17.572 19.000 -1.281 0.000 0.815 585 A HN 0.439 nan 8.150 nan 0.000 0.443 586 N N 0.283 118.868 118.700 -0.192 0.000 2.166 586 N HA -0.145 4.595 4.740 -0.001 0.000 0.186 586 N C 1.157 176.594 175.510 -0.121 0.000 1.019 586 N CA 1.735 54.703 53.050 -0.137 0.000 0.856 586 N CB -0.212 38.252 38.487 -0.039 0.000 0.993 586 N HN 0.414 nan 8.380 nan 0.000 0.426 587 D N -0.310 120.049 120.400 -0.067 0.000 2.117 587 D HA -0.150 4.489 4.640 -0.001 0.000 0.198 587 D C 1.743 178.005 176.300 -0.062 0.000 0.982 587 D CA 0.816 54.790 54.000 -0.043 0.000 0.828 587 D CB -0.369 40.429 40.800 -0.003 0.000 0.967 587 D HN 0.338 nan 8.370 nan 0.000 0.464 588 Q N 0.589 120.355 119.800 -0.056 0.000 2.084 588 Q HA -0.106 4.233 4.340 -0.001 0.000 0.202 588 Q C 2.051 177.967 176.000 -0.140 0.000 0.978 588 Q CA 0.761 56.531 55.803 -0.056 0.000 0.844 588 Q CB -0.519 28.224 28.738 0.009 0.000 0.898 588 Q HN 0.226 nan 8.270 nan 0.000 0.426 589 L N 0.382 121.470 121.223 -0.224 0.000 2.012 589 L HA -0.139 4.201 4.340 -0.001 0.000 0.210 589 L C 2.359 178.860 176.870 -0.615 0.000 1.073 589 L CA 1.963 56.554 54.840 -0.414 0.000 0.748 589 L CB -0.628 41.182 42.059 -0.415 0.000 0.891 589 L HN 0.200 nan 8.230 nan 0.000 0.431 590 R N -1.048 119.236 120.500 -0.360 0.000 2.080 590 R HA -0.197 4.142 4.340 -0.001 0.000 0.236 590 R C 2.544 178.805 176.300 -0.064 0.000 1.137 590 R CA 1.773 57.770 56.100 -0.172 0.000 0.943 590 R CB -0.584 29.687 30.300 -0.048 0.000 0.846 590 R HN 0.552 nan 8.270 nan 0.000 0.431 591 S N 0.444 116.106 115.700 -0.064 0.000 2.370 591 S HA -0.112 4.357 4.470 -0.001 0.000 0.226 591 S C 2.024 176.624 174.600 0.000 0.000 1.033 591 S CA 1.134 59.326 58.200 -0.014 0.000 1.011 591 S CB -0.199 62.987 63.200 -0.022 0.000 0.852 591 S HN 0.346 nan 8.310 nan 0.000 0.457 592 L N -0.126 121.061 121.223 -0.061 0.000 2.131 592 L HA -0.083 4.256 4.340 -0.001 0.000 0.210 592 L C 2.404 179.351 176.870 0.129 0.000 1.092 592 L CA 1.134 55.962 54.840 -0.019 0.000 0.759 592 L CB -0.652 41.364 42.059 -0.071 0.000 0.903 592 L HN 0.349 nan 8.230 nan 0.000 0.435 593 Y N 0.239 120.615 120.300 0.127 0.000 2.114 593 Y HA -0.209 4.341 4.550 -0.001 0.000 0.284 593 Y C 2.913 178.964 175.900 0.251 0.000 1.143 593 Y CA 1.234 59.509 58.100 0.291 0.000 1.135 593 Y CB -1.462 37.139 38.460 0.234 0.000 0.980 593 Y HN 0.118 nan 8.280 nan 0.000 0.499 594 T N 0.048 114.785 114.554 0.306 0.000 2.803 594 T HA -0.230 4.119 4.350 -0.001 0.000 0.269 594 T C 1.807 176.582 174.700 0.125 0.000 1.052 594 T CA 1.683 63.895 62.100 0.187 0.000 1.136 594 T CB -0.243 68.696 68.868 0.117 0.000 0.864 594 T HN 0.433 nan 8.240 nan 0.000 0.467 595 Q N -0.081 119.773 119.800 0.090 0.000 2.123 595 Q HA 0.021 4.360 4.340 -0.001 0.000 0.199 595 Q C 2.456 178.453 176.000 -0.006 0.000 0.966 595 Q CA 0.821 56.644 55.803 0.032 0.000 0.845 595 Q CB -0.053 28.689 28.738 0.007 0.000 0.907 595 Q HN 0.341 nan 8.270 nan 0.000 0.439 596 V N 0.736 120.628 119.914 -0.037 0.000 2.719 596 V HA -0.180 3.939 4.120 -0.001 0.000 0.252 596 V C 2.166 178.114 176.094 -0.244 0.000 1.065 596 V CA 1.264 63.425 62.300 -0.230 0.000 1.086 596 V CB -0.371 31.170 31.823 -0.470 0.000 0.700 596 V HN 0.243 nan 8.190 nan 0.000 0.467 597 R N 2.231 122.734 120.500 0.005 0.000 2.133 597 R HA -0.183 4.157 4.340 -0.001 0.000 0.245 597 R C -0.127 176.211 176.300 0.063 0.000 1.137 597 R CA 2.802 59.008 56.100 0.177 0.000 0.947 597 R CB -1.959 28.482 30.300 0.234 0.000 0.865 597 R HN 0.458 nan 8.270 nan 0.000 0.437 598 P HA -0.042 nan 4.420 nan 0.000 0.226 598 P C -0.110 177.200 177.300 0.016 0.000 1.153 598 P CA 1.161 64.272 63.100 0.019 0.000 0.777 598 P CB -0.061 31.651 31.700 0.020 0.000 0.794 599 N N -0.275 118.431 118.700 0.010 0.000 2.299 599 N HA 0.078 4.817 4.740 -0.001 0.000 0.187 599 N C 1.737 177.256 175.510 0.015 0.000 1.099 599 N CA 0.500 53.601 53.050 0.086 0.000 0.867 599 N CB -0.015 38.526 38.487 0.089 0.000 0.974 599 N HN 0.056 nan 8.380 nan 0.000 0.477 600 A N 1.376 124.142 122.820 -0.089 0.000 1.859 600 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 600 A C 2.403 179.951 177.584 -0.059 0.000 1.209 600 A CA 1.759 53.725 52.037 -0.117 0.000 0.639 600 A CB -1.013 17.984 19.000 -0.004 0.000 0.835 600 A HN 0.063 nan 8.150 nan 0.000 0.450 601 V N -0.208 119.685 119.914 -0.035 0.000 2.287 601 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 601 V C 3.054 179.097 176.094 -0.084 0.000 1.053 601 V CA 2.232 64.495 62.300 -0.062 0.000 1.027 601 V CB -1.347 30.431 31.823 -0.075 0.000 0.646 601 V HN 0.678 nan 8.190 nan 0.000 0.447 602 A N -0.508 122.285 122.820 -0.046 0.000 1.933 602 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 602 A C 2.192 179.826 177.584 0.083 0.000 1.175 602 A CA 1.605 53.621 52.037 -0.035 0.000 0.628 602 A CB -0.523 18.383 19.000 -0.157 0.000 0.814 602 A HN 0.523 nan 8.150 nan 0.000 0.444 603 L N -0.037 121.239 121.223 0.088 0.000 2.191 603 L HA -0.146 4.194 4.340 -0.001 0.000 0.212 603 L C 2.461 179.043 176.870 -0.480 0.000 1.103 603 L CA 1.384 56.174 54.840 -0.082 0.000 0.769 603 L CB -0.366 41.569 42.059 -0.207 0.000 0.908 603 L HN 0.487 nan 8.230 nan 0.000 0.438 604 V N -5.171 114.425 119.914 -0.530 0.000 3.174 604 V HA -0.003 4.117 4.120 -0.001 0.000 0.254 604 V C 1.664 177.283 176.094 -0.791 0.000 1.120 604 V CA 0.820 62.510 62.300 -1.017 0.000 1.114 604 V CB -0.301 31.331 31.823 -0.319 0.000 0.756 604 V HN 0.223 nan 8.190 nan 0.000 0.467 605 D N 1.891 122.074 120.400 -0.362 0.000 2.224 605 D HA 0.032 4.671 4.640 -0.001 0.000 0.205 605 D C 2.246 178.437 176.300 -0.181 0.000 0.965 605 D CA 1.599 55.514 54.000 -0.141 0.000 0.852 605 D CB -0.055 40.729 40.800 -0.026 0.000 0.947 605 D HN 0.582 nan 8.370 nan 0.000 0.494 606 A N 0.249 122.892 122.820 -0.295 0.000 2.076 606 A HA -0.151 4.168 4.320 -0.001 0.000 0.220 606 A C 1.934 179.392 177.584 -0.211 0.000 1.160 606 A CA 0.733 52.672 52.037 -0.163 0.000 0.653 606 A CB -1.104 17.874 19.000 -0.036 0.000 0.801 606 A HN 0.269 nan 8.150 nan 0.000 0.455 607 F N -1.299 118.339 119.950 -0.520 0.000 2.365 607 F HA -0.094 4.432 4.527 -0.001 0.000 0.300 607 F C 1.387 176.853 175.800 -0.558 0.000 1.090 607 F CA 0.543 57.954 58.000 -0.981 0.000 1.408 607 F CB -0.266 37.954 39.000 -1.299 0.000 1.060 607 F HN 0.384 nan 8.300 nan 0.000 0.534 608 N N -0.258 118.407 118.700 -0.060 0.000 2.754 608 N HA -0.268 4.472 4.740 -0.001 0.000 0.248 608 N C -0.799 174.807 175.510 0.160 0.000 1.093 608 N CA 0.297 53.410 53.050 0.104 0.000 0.699 608 N CB -1.884 36.765 38.487 0.270 0.000 1.016 608 N HN 0.383 nan 8.380 nan 0.000 0.552 609 Y N 0.188 120.642 120.300 0.257 0.000 2.319 609 Y HA 0.195 4.745 4.550 -0.001 0.000 0.328 609 Y C 1.696 177.718 175.900 0.203 0.000 1.133 609 Y CA -0.242 58.027 58.100 0.282 0.000 1.265 609 Y CB 0.726 39.413 38.460 0.379 0.000 1.218 609 Y HN 0.188 nan 8.280 nan 0.000 0.508 610 T N -1.864 112.903 114.554 0.355 0.000 2.849 610 T HA 0.065 4.415 4.350 -0.001 0.000 0.284 610 T C 0.622 175.474 174.700 0.253 0.000 1.004 610 T CA -0.866 61.359 62.100 0.208 0.000 1.021 610 T CB 1.083 70.027 68.868 0.127 0.000 1.013 610 T HN 0.535 nan 8.240 nan 0.000 0.527 611 D N -0.608 119.904 120.400 0.186 0.000 2.178 611 D HA -0.135 4.505 4.640 -0.001 0.000 0.202 611 D C 1.714 178.102 176.300 0.146 0.000 0.974 611 D CA 1.084 55.180 54.000 0.160 0.000 0.841 611 D CB -0.413 40.466 40.800 0.132 0.000 0.953 611 D HN 0.792 nan 8.370 nan 0.000 0.478 612 H N -0.433 118.695 119.070 0.096 0.000 2.353 612 H HA -0.204 4.352 4.556 -0.001 0.000 0.300 612 H C 1.956 177.354 175.328 0.117 0.000 1.090 612 H CA 1.327 57.432 56.048 0.094 0.000 1.327 612 H CB -0.284 29.536 29.762 0.097 0.000 1.383 612 H HN 0.184 nan 8.280 nan 0.000 0.508 613 Y N 1.039 121.429 120.300 0.150 0.000 2.200 613 Y HA -0.104 4.445 4.550 -0.001 0.000 0.290 613 Y C 2.746 178.585 175.900 -0.102 0.000 1.137 613 Y CA 1.176 59.313 58.100 0.061 0.000 1.163 613 Y CB -0.583 37.980 38.460 0.171 0.000 0.988 613 Y HN 0.121 nan 8.280 nan 0.000 0.518 614 L N 0.212 121.389 121.223 -0.077 0.000 2.083 614 L HA -0.241 4.099 4.340 -0.001 0.000 0.209 614 L C 0.911 177.639 176.870 -0.236 0.000 1.083 614 L CA 1.541 56.265 54.840 -0.193 0.000 0.752 614 L CB -0.685 41.379 42.059 0.008 0.000 0.899 614 L HN 0.350 nan 8.230 nan 0.000 0.433 615 N N 0.247 118.839 118.700 -0.180 0.000 2.705 615 N HA -0.216 4.524 4.740 -0.001 0.000 0.255 615 N C -0.535 174.853 175.510 -0.204 0.000 1.008 615 N CA 0.832 53.760 53.050 -0.202 0.000 0.742 615 N CB -0.662 37.652 38.487 -0.287 0.000 0.906 615 N HN 0.256 nan 8.380 nan 0.000 0.541 616 S N -0.925 114.700 115.700 -0.125 0.000 2.614 616 S HA 0.526 4.995 4.470 -0.001 0.000 0.288 616 S C 0.844 175.407 174.600 -0.062 0.000 1.137 616 S CA -0.476 57.652 58.200 -0.119 0.000 0.992 616 S CB 1.434 64.568 63.200 -0.109 0.000 1.026 616 S HN 0.050 nan 8.310 nan 0.000 0.486 617 V N 6.050 125.922 119.914 -0.070 0.000 2.488 617 V HA -0.048 4.072 4.120 -0.001 0.000 0.246 617 V C 2.096 178.158 176.094 -0.053 0.000 1.046 617 V CA 1.528 63.801 62.300 -0.045 0.000 1.053 617 V CB -0.572 31.225 31.823 -0.043 0.000 0.679 617 V HN 0.850 nan 8.190 nan 0.000 0.458 618 L N 0.477 121.644 121.223 -0.093 0.000 2.217 618 L HA 0.050 4.389 4.340 -0.001 0.000 0.211 618 L C 2.156 179.048 176.870 0.036 0.000 1.107 618 L CA 1.470 56.259 54.840 -0.085 0.000 0.783 618 L CB -0.729 41.122 42.059 -0.347 0.000 0.919 618 L HN 0.476 nan 8.230 nan 0.000 0.442 619 G N -0.299 108.506 108.800 0.010 0.000 3.434 619 G HA2 0.108 4.067 3.960 -0.001 0.000 0.258 619 G HA3 0.108 4.067 3.960 -0.001 0.000 0.258 619 G C 0.512 175.453 174.900 0.069 0.000 1.128 619 G CA -0.518 44.614 45.100 0.053 0.000 0.792 619 G HN 0.140 nan 8.290 nan 0.000 0.539 620 R N -0.405 120.127 120.500 0.054 0.000 2.638 620 R HA -0.039 4.301 4.340 -0.001 0.000 0.268 620 R C 0.978 177.348 176.300 0.117 0.000 1.006 620 R CA -0.292 55.862 56.100 0.090 0.000 1.088 620 R CB 0.427 30.764 30.300 0.062 0.000 0.950 620 R HN 0.358 nan 8.270 nan 0.000 0.419 621 Y N 2.855 123.191 120.300 0.061 0.000 2.151 621 Y HA -0.297 4.252 4.550 -0.001 0.000 0.284 621 Y C 1.721 177.653 175.900 0.055 0.000 1.166 621 Y CA 2.426 60.563 58.100 0.061 0.000 1.163 621 Y CB -0.004 38.495 38.460 0.066 0.000 0.974 621 Y HN 0.738 nan 8.280 nan 0.000 0.511 622 D N -1.185 119.321 120.400 0.177 0.000 2.349 622 D HA 0.072 4.712 4.640 -0.001 0.000 0.224 622 D C 1.724 178.083 176.300 0.098 0.000 1.029 622 D CA 0.789 54.867 54.000 0.130 0.000 0.879 622 D CB -0.713 40.227 40.800 0.234 0.000 0.906 622 D HN 0.468 nan 8.370 nan 0.000 0.528 623 G N 0.797 109.598 108.800 0.002 0.000 2.187 623 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.261 623 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.261 623 G C 0.364 175.119 174.900 -0.242 0.000 1.000 623 G CA 0.262 45.319 45.100 -0.072 0.000 0.718 623 G HN 0.536 nan 8.290 nan 0.000 0.519 624 N N 0.346 118.924 118.700 -0.203 0.000 3.303 624 N HA 0.395 5.134 4.740 -0.001 0.000 0.304 624 N C 1.653 177.037 175.510 -0.209 0.000 1.302 624 N CA 0.448 53.291 53.050 -0.345 0.000 1.213 624 N CB 0.227 38.658 38.487 -0.092 0.000 1.481 624 N HN 0.146 nan 8.380 nan 0.000 0.546 625 V N 1.121 120.862 119.914 -0.288 0.000 2.229 625 V HA -0.258 3.862 4.120 -0.001 0.000 0.243 625 V C 1.398 177.398 176.094 -0.157 0.000 1.042 625 V CA 1.639 63.792 62.300 -0.245 0.000 1.000 625 V CB -1.060 30.554 31.823 -0.348 0.000 0.637 625 V HN 0.517 nan 8.190 nan 0.000 0.446 626 Y N 0.347 120.632 120.300 -0.025 0.000 2.114 626 Y HA -0.185 4.365 4.550 -0.001 0.000 0.282 626 Y C 0.405 176.313 175.900 0.013 0.000 1.165 626 Y CA 1.574 59.662 58.100 -0.020 0.000 1.148 626 Y CB -1.968 36.481 38.460 -0.019 0.000 0.972 626 Y HN 0.362 nan 8.280 nan 0.000 0.504 627 P HA -0.161 nan 4.420 nan 0.000 0.217 627 P C 1.207 178.602 177.300 0.159 0.000 1.150 627 P CA 1.569 64.760 63.100 0.152 0.000 0.832 627 P CB 0.056 31.815 31.700 0.099 0.000 0.787 628 K N -0.775 119.676 120.400 0.085 0.000 2.288 628 K HA 0.033 4.353 4.320 -0.001 0.000 0.201 628 K C 2.043 178.678 176.600 0.058 0.000 1.048 628 K CA 0.753 57.077 56.287 0.061 0.000 0.956 628 K CB -0.843 31.671 32.500 0.024 0.000 0.746 628 K HN 0.270 nan 8.250 nan 0.000 0.461 629 L N -0.263 121.004 121.223 0.074 0.000 2.056 629 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 629 L C 2.332 179.263 176.870 0.101 0.000 1.078 629 L CA 0.912 55.784 54.840 0.054 0.000 0.749 629 L CB -0.352 41.718 42.059 0.018 0.000 0.901 629 L HN 0.017 nan 8.230 nan 0.000 0.433 630 F N 1.017 120.975 119.950 0.012 0.000 2.102 630 F HA -0.245 4.281 4.527 -0.001 0.000 0.298 630 F C 2.535 178.344 175.800 0.016 0.000 1.105 630 F CA 1.944 59.952 58.000 0.014 0.000 1.239 630 F CB -0.283 38.728 39.000 0.020 0.000 0.991 630 F HN 0.105 nan 8.300 nan 0.000 0.474 631 E N -0.123 120.040 120.200 -0.063 0.000 2.085 631 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 631 E C 2.081 178.594 176.600 -0.145 0.000 0.994 631 E CA 1.569 57.882 56.400 -0.144 0.000 0.801 631 E CB -0.125 29.570 29.700 -0.008 0.000 0.743 631 E HN 0.394 nan 8.360 nan 0.000 0.453 632 E N 0.115 120.273 120.200 -0.069 0.000 2.072 632 E HA -0.148 4.202 4.350 -0.001 0.000 0.191 632 E C 1.986 178.544 176.600 -0.070 0.000 0.985 632 E CA 0.924 57.298 56.400 -0.042 0.000 0.801 632 E CB -0.324 29.381 29.700 0.009 0.000 0.750 632 E HN 0.369 nan 8.360 nan 0.000 0.452 633 A N 1.496 124.261 122.820 -0.092 0.000 1.917 633 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 633 A C 2.355 179.857 177.584 -0.137 0.000 1.182 633 A CA 1.290 53.274 52.037 -0.088 0.000 0.633 633 A CB -0.832 18.131 19.000 -0.061 0.000 0.819 633 A HN 0.221 nan 8.150 nan 0.000 0.448 634 L N -1.059 120.015 121.223 -0.248 0.000 2.265 634 L HA -0.186 4.153 4.340 -0.001 0.000 0.215 634 L C 2.252 179.044 176.870 -0.130 0.000 1.117 634 L CA 1.497 56.201 54.840 -0.227 0.000 0.782 634 L CB -0.452 41.410 42.059 -0.328 0.000 0.914 634 L HN 0.380 nan 8.230 nan 0.000 0.441 635 K N -0.173 120.165 120.400 -0.104 0.000 2.366 635 K HA -0.051 4.268 4.320 -0.001 0.000 0.198 635 K C 0.383 176.946 176.600 -0.062 0.000 1.044 635 K CA 0.101 56.346 56.287 -0.070 0.000 0.973 635 K CB -0.153 32.316 32.500 -0.052 0.000 0.767 635 K HN 0.224 nan 8.250 nan 0.000 0.475 636 D N 1.307 121.670 120.400 -0.062 0.000 2.455 636 D HA -0.026 4.613 4.640 -0.001 0.000 0.241 636 D C -1.278 174.992 176.300 -0.050 0.000 1.138 636 D CA -1.515 52.451 54.000 -0.057 0.000 0.877 636 D CB 1.061 41.834 40.800 -0.045 0.000 1.187 636 D HN -0.091 nan 8.370 nan 0.000 0.451 637 P HA -0.185 nan 4.420 nan 0.000 0.219 637 P C 1.434 178.718 177.300 -0.026 0.000 1.146 637 P CA 0.468 63.545 63.100 -0.038 0.000 0.808 637 P CB 0.225 31.900 31.700 -0.041 0.000 0.779 638 L N 0.269 121.478 121.223 -0.024 0.000 2.353 638 L HA -0.003 4.336 4.340 -0.001 0.000 0.220 638 L C 1.383 178.247 176.870 -0.011 0.000 1.133 638 L CA 1.545 56.378 54.840 -0.010 0.000 0.798 638 L CB -1.227 40.830 42.059 -0.005 0.000 0.922 638 L HN -0.090 nan 8.230 nan 0.000 0.445 639 N N -0.641 118.045 118.700 -0.022 0.000 2.295 639 N HA -0.011 4.728 4.740 -0.001 0.000 0.221 639 N C 0.552 176.047 175.510 -0.026 0.000 1.129 639 N CA 0.130 53.166 53.050 -0.025 0.000 0.836 639 N CB 0.102 38.564 38.487 -0.041 0.000 1.040 639 N HN 0.286 nan 8.380 nan 0.000 0.494 640 D N 0.134 120.522 120.400 -0.021 0.000 2.348 640 D HA -0.031 4.609 4.640 -0.001 0.000 0.216 640 D C 0.351 176.643 176.300 -0.014 0.000 0.970 640 D CA 0.778 54.767 54.000 -0.019 0.000 0.889 640 D CB 0.302 41.093 40.800 -0.015 0.000 0.912 640 D HN 0.257 nan 8.370 nan 0.000 0.524 641 S N -1.577 114.115 115.700 -0.013 0.000 2.542 641 S HA 0.233 4.702 4.470 -0.001 0.000 0.276 641 S C 0.732 175.321 174.600 -0.019 0.000 1.148 641 S CA -0.529 57.662 58.200 -0.014 0.000 0.886 641 S CB 1.520 64.714 63.200 -0.010 0.000 1.109 641 S HN -0.134 nan 8.310 nan 0.000 0.458 642 V N 0.261 120.159 119.914 -0.026 0.000 2.515 642 V HA 0.190 4.310 4.120 -0.001 0.000 0.250 642 V C 0.697 176.755 176.094 -0.059 0.000 1.058 642 V CA 0.990 63.270 62.300 -0.034 0.000 1.064 642 V CB -0.763 31.039 31.823 -0.035 0.000 0.675 642 V HN 0.696 nan 8.190 nan 0.000 0.461 643 V N 4.422 124.289 119.914 -0.078 0.000 2.348 643 V HA 0.388 4.508 4.120 -0.001 0.000 0.270 643 V C -1.916 174.152 176.094 -0.043 0.000 1.037 643 V CA -1.662 60.560 62.300 -0.131 0.000 0.872 643 V CB 0.874 32.575 31.823 -0.204 0.000 1.002 643 V HN 0.428 nan 8.190 nan 0.000 0.464 644 P HA 0.086 nan 4.420 nan 0.000 0.268 644 P C -0.631 176.730 177.300 0.102 0.000 1.205 644 P CA -0.210 62.922 63.100 0.053 0.000 0.771 644 P CB 0.870 32.612 31.700 0.070 0.000 0.858 645 D N 1.188 121.638 120.400 0.084 0.000 2.383 645 D HA 0.305 4.944 4.640 -0.001 0.000 0.252 645 D C 1.369 177.743 176.300 0.123 0.000 1.166 645 D CA 1.287 55.341 54.000 0.090 0.000 0.879 645 D CB -0.269 40.569 40.800 0.063 0.000 1.164 645 D HN 0.682 nan 8.370 nan 0.000 0.462 646 G N 3.232 112.098 108.800 0.109 0.000 2.255 646 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.196 646 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.196 646 G C 0.849 175.794 174.900 0.074 0.000 0.998 646 G CA 0.259 45.433 45.100 0.123 0.000 0.656 646 G HN 0.549 nan 8.290 nan 0.000 0.490 647 Y N 1.876 122.181 120.300 0.008 0.000 2.097 647 Y HA -0.111 4.439 4.550 -0.001 0.000 0.282 647 Y C 2.700 178.572 175.900 -0.048 0.000 1.152 647 Y CA 3.031 61.133 58.100 0.003 0.000 1.136 647 Y CB -0.380 38.082 38.460 0.004 0.000 0.975 647 Y HN 0.317 nan 8.280 nan 0.000 0.498 648 Q N 0.469 119.988 119.800 -0.468 0.000 2.135 648 Q HA -0.170 4.169 4.340 -0.001 0.000 0.204 648 Q C 1.910 177.639 176.000 -0.451 0.000 0.981 648 Q CA 2.332 57.803 55.803 -0.552 0.000 0.856 648 Q CB -0.162 28.434 28.738 -0.237 0.000 0.902 648 Q HN 0.673 nan 8.270 nan 0.000 0.425 649 E N -1.484 118.421 120.200 -0.493 0.000 2.140 649 E HA -0.030 4.319 4.350 -0.001 0.000 0.191 649 E C 0.923 177.151 176.600 -0.621 0.000 0.973 649 E CA 0.887 56.883 56.400 -0.673 0.000 0.829 649 E CB 0.011 29.037 29.700 -1.123 0.000 0.781 649 E HN 0.511 nan 8.360 nan 0.000 0.466 650 Y N -0.752 119.503 120.300 -0.074 0.000 2.445 650 Y HA 0.350 4.899 4.550 -0.001 0.000 0.247 650 Y C 1.550 177.428 175.900 -0.037 0.000 1.129 650 Y CA -0.238 57.836 58.100 -0.042 0.000 1.251 650 Y CB 0.648 39.102 38.460 -0.010 0.000 1.176 650 Y HN -0.090 nan 8.280 nan 0.000 0.522 651 L N -0.882 120.352 121.223 0.018 0.000 2.515 651 L HA 0.146 4.486 4.340 -0.001 0.000 0.202 651 L C 2.483 179.320 176.870 -0.055 0.000 1.056 651 L CA 0.285 55.151 54.840 0.044 0.000 0.847 651 L CB -0.159 42.017 42.059 0.196 0.000 1.131 651 L HN -0.026 nan 8.230 nan 0.000 0.484 652 R N 0.823 121.142 120.500 -0.301 0.000 2.083 652 R HA -0.162 4.177 4.340 -0.001 0.000 0.237 652 R C -0.545 175.680 176.300 -0.125 0.000 1.137 652 R CA 1.822 57.760 56.100 -0.270 0.000 0.951 652 R CB -1.029 28.963 30.300 -0.513 0.000 0.851 652 R HN 0.189 nan 8.270 nan 0.000 0.434 653 P HA -0.116 nan 4.420 nan 0.000 0.218 653 P C 1.306 178.593 177.300 -0.021 0.000 1.148 653 P CA 1.027 64.089 63.100 -0.063 0.000 0.822 653 P CB 0.087 31.752 31.700 -0.058 0.000 0.784 654 V N -0.688 119.223 119.914 -0.004 0.000 2.323 654 V HA -0.179 3.940 4.120 -0.001 0.000 0.244 654 V C 2.285 178.389 176.094 0.018 0.000 1.041 654 V CA 1.525 63.835 62.300 0.017 0.000 1.025 654 V CB -1.208 30.637 31.823 0.036 0.000 0.656 654 V HN 0.061 nan 8.190 nan 0.000 0.451 655 L N -0.223 121.013 121.223 0.022 0.000 2.456 655 L HA -0.133 4.206 4.340 -0.001 0.000 0.224 655 L C 1.947 178.829 176.870 0.020 0.000 1.148 655 L CA 1.203 56.062 54.840 0.031 0.000 0.825 655 L CB -0.343 41.749 42.059 0.056 0.000 0.937 655 L HN 0.454 nan 8.230 nan 0.000 0.450 656 Q N -0.916 118.888 119.800 0.006 0.000 2.159 656 Q HA 0.102 4.442 4.340 -0.001 0.000 0.217 656 Q C -0.351 175.649 176.000 0.001 0.000 0.818 656 Q CA -0.254 55.550 55.803 0.002 0.000 1.008 656 Q CB 0.848 29.581 28.738 -0.009 0.000 1.148 656 Q HN 0.228 nan 8.270 nan 0.000 0.491 657 Q N 0.102 119.904 119.800 0.004 0.000 2.452 657 Q HA -0.240 4.100 4.340 -0.001 0.000 0.318 657 Q C -0.271 175.729 176.000 0.000 0.000 1.386 657 Q CA 1.041 56.846 55.803 0.004 0.000 0.872 657 Q CB -2.205 26.536 28.738 0.006 0.000 1.151 657 Q HN 0.628 nan 8.270 nan 0.000 0.417 658 Q N -0.475 119.323 119.800 -0.003 0.000 2.155 658 Q HA 0.342 4.681 4.340 -0.001 0.000 0.220 658 Q C 0.632 176.630 176.000 -0.004 0.000 0.819 658 Q CA -0.267 55.532 55.803 -0.007 0.000 1.032 658 Q CB 0.690 29.418 28.738 -0.017 0.000 1.151 658 Q HN 0.401 nan 8.270 nan 0.000 0.487 659 L N 0.000 121.225 121.223 0.003 0.000 2.949 659 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 659 L CA 0.000 54.846 54.840 0.010 0.000 0.813 659 L CB 0.000 42.068 42.059 0.015 0.000 0.961 659 L HN 0.000 nan 8.230 nan 0.000 0.502