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 1vrg_1_F DATA FIRST_RESID 2 DATA SEQUENCE SLRDKIEELK KIEKEIEQGG GPEKVEKQHR AGKLTAWERL ELLLDPGTFV DATA SEQUENCE EIDKFVEHRN TYFGLDKVKL PRDGVITGVG EINGRKVAVF SQDFTVXGGS DATA SEQUENCE LGEXHAKKIV KLLDLALKXG IPVIGINDSG GARIQEGVDA LAGYGEIFLR DATA SEQUENCE NTLASGVVPQ ITVIAGPCAG GAVYSPALTD FIVXVDQTAR XFITGPNVIK DATA SEQUENCE AVTGEEISQE DLGGAXVHNQ KSGNAHFLAD NDEKAXSLVR TLLSYLPSNN DATA SEQUENCE AEEPPVEDPD TSLETPEDIL DILPDNPNKG YDVRDVIKRV VDHGEFFEVQ DATA SEQUENCE PYFAKNIVIG FARIQGKTVG IVANQPSVLA GVLDIDSSDK AARFIRFLDA DATA SEQUENCE FNIPILTFVD TPGYLPGVAQ EHGGIIRHGA KLLYAYSEAT VPKITVILRK DATA SEQUENCE AYGGAYIAXG SKHLGADXVL AWPSAEIAVX GPEGAANIIF KREIEASSNP DATA SEQUENCE EETRRKLIEE YKQQFANPYI AASRGYVDXV IDPRETRKYI XRALEVCETK DATA SEQUENCE VEYRPKKKHG NIPL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.591 174.600 -0.014 0.000 1.055 2 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 2 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 3 L N 1.694 122.909 121.223 -0.015 0.000 2.079 3 L HA 0.161 4.501 4.340 0.000 0.000 0.210 3 L C 2.574 179.435 176.870 -0.015 0.000 1.081 3 L CA 1.887 56.717 54.840 -0.017 0.000 0.752 3 L CB -0.956 41.093 42.059 -0.016 0.000 0.896 3 L HN 0.817 nan 8.230 nan 0.000 0.433 4 R N -0.525 119.968 120.500 -0.011 0.000 2.092 4 R HA -0.124 4.216 4.340 0.000 0.000 0.231 4 R C 1.904 178.199 176.300 -0.009 0.000 1.119 4 R CA 1.352 57.447 56.100 -0.009 0.000 0.970 4 R CB -0.386 29.910 30.300 -0.007 0.000 0.864 4 R HN 0.477 nan 8.270 nan 0.000 0.440 5 D N 0.624 121.019 120.400 -0.010 0.000 2.144 5 D HA -0.138 4.502 4.640 0.000 0.000 0.199 5 D C 1.592 177.885 176.300 -0.012 0.000 0.984 5 D CA 1.239 55.234 54.000 -0.009 0.000 0.834 5 D CB 0.001 40.795 40.800 -0.010 0.000 0.955 5 D HN 0.201 nan 8.370 nan 0.000 0.465 6 K N 0.227 120.617 120.400 -0.017 0.000 2.209 6 K HA -0.036 4.284 4.320 0.000 0.000 0.204 6 K C 2.218 178.805 176.600 -0.022 0.000 1.048 6 K CA 0.494 56.767 56.287 -0.023 0.000 0.940 6 K CB 0.078 32.560 32.500 -0.030 0.000 0.729 6 K HN 0.189 nan 8.250 nan 0.000 0.451 7 I N 1.056 121.617 120.570 -0.016 0.000 2.353 7 I HA -0.216 3.954 4.170 0.000 0.000 0.248 7 I C 2.004 178.120 176.117 -0.002 0.000 1.119 7 I CA 1.140 62.434 61.300 -0.010 0.000 1.417 7 I CB -0.180 37.815 38.000 -0.007 0.000 1.078 7 I HN 0.164 nan 8.210 nan 0.000 0.421 8 E N 0.791 120.990 120.200 -0.003 0.000 2.049 8 E HA -0.320 4.030 4.350 0.000 0.000 0.198 8 E C 2.087 178.689 176.600 0.003 0.000 1.007 8 E CA 1.749 58.149 56.400 0.001 0.000 0.809 8 E CB -0.210 29.489 29.700 -0.002 0.000 0.749 8 E HN 0.491 nan 8.360 nan 0.000 0.450 9 E N 0.796 120.995 120.200 -0.001 0.000 2.110 9 E HA -0.215 4.135 4.350 0.000 0.000 0.193 9 E C 2.201 178.808 176.600 0.012 0.000 0.988 9 E CA 0.661 57.062 56.400 0.002 0.000 0.804 9 E CB -0.011 29.685 29.700 -0.007 0.000 0.745 9 E HN 0.136 nan 8.360 nan 0.000 0.458 10 L N 1.398 122.626 121.223 0.008 0.000 2.046 10 L HA -0.168 4.172 4.340 0.000 0.000 0.208 10 L C 2.329 179.240 176.870 0.069 0.000 1.077 10 L CA 1.958 56.816 54.840 0.029 0.000 0.747 10 L CB -0.571 41.489 42.059 0.002 0.000 0.896 10 L HN -0.133 nan 8.230 nan 0.000 0.432 11 K N -0.622 119.803 120.400 0.041 0.000 2.057 11 K HA -0.133 4.187 4.320 0.000 0.000 0.207 11 K C 2.419 179.034 176.600 0.026 0.000 1.049 11 K CA 1.391 57.698 56.287 0.034 0.000 0.931 11 K CB -0.757 31.753 32.500 0.018 0.000 0.714 11 K HN 0.472 nan 8.250 nan 0.000 0.440 12 K N 0.262 120.675 120.400 0.022 0.000 2.032 12 K HA 0.025 4.345 4.320 0.000 0.000 0.209 12 K C 2.193 178.808 176.600 0.026 0.000 1.048 12 K CA 1.632 57.928 56.287 0.016 0.000 0.927 12 K CB -0.654 31.853 32.500 0.012 0.000 0.712 12 K HN 0.445 nan 8.250 nan 0.000 0.441 13 I N 0.639 121.242 120.570 0.055 0.000 2.226 13 I HA -0.246 3.924 4.170 0.000 0.000 0.245 13 I C 2.612 178.775 176.117 0.077 0.000 1.100 13 I CA 1.595 62.949 61.300 0.089 0.000 1.374 13 I CB -0.343 37.748 38.000 0.151 0.000 1.057 13 I HN 0.379 nan 8.210 nan 0.000 0.413 14 E N 0.325 120.575 120.200 0.084 0.000 2.106 14 E HA -0.207 4.143 4.350 0.000 0.000 0.192 14 E C 2.360 178.917 176.600 -0.071 0.000 0.984 14 E CA 1.008 57.401 56.400 -0.010 0.000 0.806 14 E CB -0.035 29.678 29.700 0.023 0.000 0.750 14 E HN 0.177 nan 8.360 nan 0.000 0.458 15 K N 0.462 120.835 120.400 -0.045 0.000 2.103 15 K HA -0.197 4.123 4.320 0.000 0.000 0.207 15 K C 2.395 178.945 176.600 -0.084 0.000 1.048 15 K CA 1.638 57.883 56.287 -0.070 0.000 0.930 15 K CB -0.604 31.872 32.500 -0.041 0.000 0.716 15 K HN 0.503 nan 8.250 nan 0.000 0.444 16 E N 0.382 120.550 120.200 -0.054 0.000 2.072 16 E HA -0.057 4.293 4.350 0.000 0.000 0.191 16 E C 1.970 178.524 176.600 -0.078 0.000 0.985 16 E CA 1.625 57.996 56.400 -0.050 0.000 0.801 16 E CB -0.599 29.092 29.700 -0.016 0.000 0.750 16 E HN 0.630 nan 8.360 nan 0.000 0.452 17 I N 0.716 121.228 120.570 -0.096 0.000 2.264 17 I HA -0.232 3.938 4.170 0.000 0.000 0.248 17 I C 2.441 178.433 176.117 -0.208 0.000 1.111 17 I CA 1.668 62.888 61.300 -0.134 0.000 1.382 17 I CB -0.123 37.766 38.000 -0.186 0.000 1.060 17 I HN 0.341 nan 8.210 nan 0.000 0.418 18 E N 0.139 120.180 120.200 -0.266 0.000 2.427 18 E HA -0.148 4.202 4.350 0.000 0.000 0.196 18 E C 1.908 178.153 176.600 -0.593 0.000 1.028 18 E CA 0.245 56.369 56.400 -0.460 0.000 0.864 18 E CB 0.109 29.577 29.700 -0.387 0.000 0.813 18 E HN 0.438 nan 8.360 nan 0.000 0.514 19 Q N -0.163 119.448 119.800 -0.314 0.000 2.291 19 Q HA -0.023 4.317 4.340 0.000 0.000 0.205 19 Q C 1.426 177.367 176.000 -0.099 0.000 0.970 19 Q CA 1.000 56.691 55.803 -0.187 0.000 0.876 19 Q CB -0.204 28.492 28.738 -0.070 0.000 0.935 19 Q HN 0.329 nan 8.270 nan 0.000 0.455 20 G N 0.292 109.018 108.800 -0.124 0.000 2.591 20 G HA2 -0.360 3.600 3.960 0.000 0.000 0.298 20 G HA3 -0.360 3.600 3.960 0.000 0.000 0.298 20 G C 0.858 175.814 174.900 0.093 0.000 1.195 20 G CA 0.324 45.486 45.100 0.104 0.000 0.989 20 G HN 0.496 nan 8.290 nan 0.000 0.551 21 G N 0.501 109.381 108.800 0.133 0.000 2.920 21 G HA2 0.577 4.537 3.960 0.000 0.000 0.208 21 G HA3 0.577 4.537 3.960 0.000 0.000 0.208 21 G C 1.257 176.193 174.900 0.060 0.000 1.159 21 G CA 1.602 46.744 45.100 0.070 0.000 0.784 21 G HN 2.538 nan 8.290 nan 0.000 0.535 22 G N -0.579 108.269 108.800 0.081 0.000 2.497 22 G HA2 0.025 3.985 3.960 0.000 0.000 0.686 22 G HA3 0.025 3.985 3.960 0.000 0.000 0.686 22 G C -1.605 173.341 174.900 0.076 0.000 1.288 22 G CA -0.192 44.945 45.100 0.061 0.000 0.899 22 G HN -0.046 nan 8.290 nan 0.000 0.608 23 P HA -0.100 nan 4.420 nan 0.000 0.216 23 P C 1.354 178.687 177.300 0.055 0.000 1.150 23 P CA 1.812 64.953 63.100 0.069 0.000 0.837 23 P CB 0.097 31.831 31.700 0.056 0.000 0.786 24 E N 0.292 120.519 120.200 0.044 0.000 2.031 24 E HA -0.167 4.184 4.350 0.000 0.000 0.193 24 E C 2.059 178.679 176.600 0.033 0.000 0.994 24 E CA 1.043 57.465 56.400 0.037 0.000 0.800 24 E CB -0.282 29.436 29.700 0.032 0.000 0.752 24 E HN 0.231 nan 8.360 nan 0.000 0.447 25 K N 0.713 121.135 120.400 0.037 0.000 2.103 25 K HA -0.110 4.210 4.320 0.000 0.000 0.207 25 K C 2.242 178.850 176.600 0.013 0.000 1.048 25 K CA 0.684 56.994 56.287 0.039 0.000 0.930 25 K CB -0.600 31.928 32.500 0.046 0.000 0.716 25 K HN 0.059 nan 8.250 nan 0.000 0.444 26 V N 1.393 121.308 119.914 0.001 0.000 2.379 26 V HA -0.193 3.927 4.120 0.000 0.000 0.245 26 V C 2.483 178.440 176.094 -0.228 0.000 1.044 26 V CA 1.775 64.005 62.300 -0.116 0.000 1.036 26 V CB -0.312 31.519 31.823 0.014 0.000 0.664 26 V HN 0.303 nan 8.190 nan 0.000 0.453 27 E N -0.466 119.703 120.200 -0.051 0.000 2.077 27 E HA -0.274 4.076 4.350 0.000 0.000 0.193 27 E C 2.269 178.874 176.600 0.008 0.000 0.989 27 E CA 1.490 57.900 56.400 0.017 0.000 0.800 27 E CB -0.356 29.377 29.700 0.055 0.000 0.746 27 E HN 0.710 nan 8.360 nan 0.000 0.452 28 K N 0.175 120.577 120.400 0.004 0.000 2.063 28 K HA -0.309 4.011 4.320 0.000 0.000 0.208 28 K C 2.470 179.072 176.600 0.004 0.000 1.048 28 K CA 1.987 58.287 56.287 0.022 0.000 0.928 28 K CB -0.190 32.339 32.500 0.048 0.000 0.713 28 K HN 0.114 nan 8.250 nan 0.000 0.442 29 Q N 0.300 120.072 119.800 -0.046 0.000 2.061 29 Q HA -0.202 4.138 4.340 0.000 0.000 0.204 29 Q C 1.641 177.602 176.000 -0.065 0.000 0.984 29 Q CA 2.217 57.962 55.803 -0.097 0.000 0.846 29 Q CB -0.234 28.389 28.738 -0.191 0.000 0.902 29 Q HN 0.624 nan 8.270 nan 0.000 0.421 30 H N -1.120 117.930 119.070 -0.034 0.000 2.357 30 H HA 0.030 4.586 4.556 0.000 0.000 0.301 30 H C 2.096 177.406 175.328 -0.031 0.000 1.082 30 H CA 1.008 57.032 56.048 -0.040 0.000 1.342 30 H CB 0.151 29.899 29.762 -0.024 0.000 1.389 30 H HN 0.178 nan 8.280 nan 0.000 0.511 31 R N 0.563 121.124 120.500 0.101 0.000 2.120 31 R HA -0.057 4.284 4.340 0.000 0.000 0.234 31 R C 2.308 178.619 176.300 0.019 0.000 1.123 31 R CA 0.869 56.999 56.100 0.049 0.000 0.975 31 R CB -0.071 30.252 30.300 0.038 0.000 0.866 31 R HN 0.241 nan 8.270 nan 0.000 0.446 32 A N 0.372 123.193 122.820 0.002 0.000 2.239 32 A HA 0.134 4.454 4.320 0.000 0.000 0.209 32 A C 1.356 178.920 177.584 -0.034 0.000 1.171 32 A CA 0.816 52.835 52.037 -0.030 0.000 0.768 32 A CB -0.358 18.601 19.000 -0.069 0.000 0.790 32 A HN 0.462 nan 8.150 nan 0.000 0.478 33 G N -0.663 108.132 108.800 -0.008 0.000 2.182 33 G HA2 -0.244 3.716 3.960 0.000 0.000 0.248 33 G HA3 -0.244 3.716 3.960 0.000 0.000 0.248 33 G C -0.098 174.786 174.900 -0.027 0.000 1.042 33 G CA 0.558 45.650 45.100 -0.014 0.000 0.775 33 G HN 0.629 nan 8.290 nan 0.000 0.501 34 K N -0.461 119.928 120.400 -0.018 0.000 2.270 34 K HA 0.703 5.023 4.320 0.000 0.000 0.255 34 K C 0.573 177.182 176.600 0.015 0.000 0.936 34 K CA -0.933 55.325 56.287 -0.049 0.000 0.809 34 K CB 1.970 34.396 32.500 -0.123 0.000 1.131 34 K HN 0.146 nan 8.250 nan 0.000 0.427 35 L N 1.532 122.737 121.223 -0.031 0.000 2.456 35 L HA 0.253 4.593 4.340 0.000 0.000 0.257 35 L C 1.021 177.775 176.870 -0.193 0.000 1.162 35 L CA -0.495 54.325 54.840 -0.033 0.000 0.808 35 L CB 0.717 42.722 42.059 -0.088 0.000 1.136 35 L HN 0.767 nan 8.230 nan 0.000 0.466 36 T N -1.699 112.634 114.554 -0.368 0.000 2.813 36 T HA 0.265 4.615 4.350 0.000 0.000 0.297 36 T C 1.176 175.471 174.700 -0.675 0.000 1.036 36 T CA -0.183 61.443 62.100 -0.790 0.000 1.044 36 T CB 1.253 69.077 68.868 -1.739 0.000 0.993 36 T HN 0.656 nan 8.240 nan 0.000 0.535 37 A N 0.846 123.299 122.820 -0.611 0.000 1.948 37 A HA -0.080 4.240 4.320 0.000 0.000 0.220 37 A C 1.978 179.486 177.584 -0.127 0.000 1.177 37 A CA 1.940 53.840 52.037 -0.229 0.000 0.636 37 A CB -1.327 17.671 19.000 -0.005 0.000 0.815 37 A HN 1.095 nan 8.150 nan 0.000 0.449 38 W N -0.603 120.676 121.300 -0.035 0.000 2.453 38 W HA 0.171 4.831 4.660 -0.000 0.000 0.289 38 W C 1.561 178.036 176.519 -0.072 0.000 1.215 38 W CA 0.707 58.012 57.345 -0.067 0.000 1.297 38 W CB -0.487 28.955 29.460 -0.029 0.000 1.113 38 W HN 0.300 nan 8.180 nan 0.000 0.551 39 E N 1.156 121.252 120.200 -0.174 0.000 2.077 39 E HA -0.191 4.159 4.350 0.000 0.000 0.193 39 E C 2.145 178.682 176.600 -0.105 0.000 0.989 39 E CA 1.704 58.045 56.400 -0.098 0.000 0.800 39 E CB -0.285 29.326 29.700 -0.148 0.000 0.746 39 E HN 0.300 nan 8.360 nan 0.000 0.452 40 R N 0.521 120.932 120.500 -0.149 0.000 2.091 40 R HA -0.131 4.209 4.340 0.000 0.000 0.238 40 R C 2.430 178.649 176.300 -0.134 0.000 1.136 40 R CA 1.126 57.148 56.100 -0.130 0.000 0.959 40 R CB -0.358 29.860 30.300 -0.136 0.000 0.856 40 R HN 0.170 nan 8.270 nan 0.000 0.437 41 L N 0.329 121.453 121.223 -0.166 0.000 2.083 41 L HA -0.180 4.160 4.340 0.000 0.000 0.209 41 L C 2.567 179.324 176.870 -0.187 0.000 1.083 41 L CA 1.297 55.987 54.840 -0.250 0.000 0.752 41 L CB -0.421 41.365 42.059 -0.456 0.000 0.899 41 L HN 0.326 nan 8.230 nan 0.000 0.433 42 E N 0.525 120.659 120.200 -0.111 0.000 2.077 42 E HA -0.209 4.141 4.350 0.000 0.000 0.193 42 E C 2.342 178.911 176.600 -0.052 0.000 0.989 42 E CA 0.977 57.344 56.400 -0.055 0.000 0.800 42 E CB 0.054 29.753 29.700 -0.003 0.000 0.746 42 E HN 0.472 nan 8.360 nan 0.000 0.452 43 L N 0.412 121.597 121.223 -0.063 0.000 2.109 43 L HA -0.144 4.196 4.340 0.000 0.000 0.207 43 L C 2.569 179.399 176.870 -0.067 0.000 1.086 43 L CA 0.274 55.078 54.840 -0.059 0.000 0.760 43 L CB -0.255 41.766 42.059 -0.063 0.000 0.910 43 L HN 0.241 nan 8.230 nan 0.000 0.437 44 L N -0.308 120.864 121.223 -0.085 0.000 2.093 44 L HA 0.003 4.343 4.340 0.000 0.000 0.208 44 L C 0.788 177.617 176.870 -0.069 0.000 1.085 44 L CA 1.508 56.296 54.840 -0.087 0.000 0.755 44 L CB -0.004 41.990 42.059 -0.108 0.000 0.904 44 L HN -0.007 nan 8.230 nan 0.000 0.435 45 L N 0.092 121.279 121.223 -0.061 0.000 2.334 45 L HA 0.308 4.648 4.340 0.000 0.000 0.275 45 L C -0.336 176.529 176.870 -0.008 0.000 1.036 45 L CA -1.171 53.655 54.840 -0.024 0.000 0.807 45 L CB 0.823 42.882 42.059 -0.000 0.000 1.231 45 L HN -0.078 nan 8.230 nan 0.000 0.438 46 D N 2.650 123.052 120.400 0.004 0.000 2.533 46 D HA 0.063 4.703 4.640 0.000 0.000 0.236 46 D C -2.229 174.084 176.300 0.022 0.000 1.137 46 D CA -0.668 53.336 54.000 0.005 0.000 0.867 46 D CB 0.208 41.013 40.800 0.007 0.000 1.170 46 D HN 0.159 nan 8.370 nan 0.000 0.474 47 P HA 0.054 nan 4.420 nan 0.000 0.261 47 P C 0.853 178.175 177.300 0.038 0.000 1.173 47 P CA 0.624 63.739 63.100 0.024 0.000 0.760 47 P CB 0.461 32.169 31.700 0.014 0.000 0.783 48 G N 2.668 111.502 108.800 0.055 0.000 2.203 48 G HA2 -0.304 3.656 3.960 0.000 0.000 0.263 48 G HA3 -0.304 3.656 3.960 0.000 0.000 0.263 48 G C 0.742 175.685 174.900 0.071 0.000 1.012 48 G CA 0.789 45.927 45.100 0.063 0.000 0.749 48 G HN 0.642 nan 8.290 nan 0.000 0.512 49 T N -3.343 111.268 114.554 0.095 0.000 3.023 49 T HA 0.469 4.819 4.350 0.000 0.000 0.253 49 T C 0.745 175.523 174.700 0.129 0.000 1.038 49 T CA 0.136 62.288 62.100 0.087 0.000 0.962 49 T CB 0.302 69.210 68.868 0.068 0.000 1.018 49 T HN 0.627 nan 8.240 nan 0.000 0.521 50 F N 3.139 123.096 119.950 0.011 0.000 2.467 50 F HA 0.547 5.074 4.527 -0.000 0.000 0.362 50 F C -0.597 175.214 175.800 0.017 0.000 1.090 50 F CA -1.458 56.552 58.000 0.016 0.000 1.202 50 F CB 0.886 39.900 39.000 0.022 0.000 1.113 50 F HN -0.111 nan 8.300 nan 0.000 0.541 51 V N 6.715 126.241 119.914 -0.647 0.000 2.350 51 V HA 0.215 4.335 4.120 0.000 0.000 0.285 51 V C -0.078 175.492 176.094 -0.874 0.000 1.014 51 V CA -0.957 61.021 62.300 -0.537 0.000 0.831 51 V CB 1.198 32.867 31.823 -0.256 0.000 1.000 51 V HN 0.745 nan 8.190 nan 0.000 0.433 52 E N 4.814 124.584 120.200 -0.717 0.000 2.366 52 E HA 0.533 4.883 4.350 0.000 0.000 0.266 52 E C -0.604 175.873 176.600 -0.204 0.000 1.051 52 E CA -0.395 55.730 56.400 -0.458 0.000 0.884 52 E CB 1.095 30.708 29.700 -0.145 0.000 1.006 52 E HN 0.754 nan 8.360 nan 0.000 0.417 53 I N -0.359 120.145 120.570 -0.110 0.000 2.892 53 I HA 0.430 4.600 4.170 0.000 0.000 0.306 53 I C -0.760 175.356 176.117 -0.003 0.000 1.078 53 I CA -0.958 60.322 61.300 -0.034 0.000 1.032 53 I CB 1.974 39.961 38.000 -0.021 0.000 1.229 53 I HN 0.471 nan 8.210 nan 0.000 0.435 54 D N 1.539 121.956 120.400 0.029 0.000 2.945 54 D HA -0.195 4.445 4.640 0.000 0.000 0.225 54 D C 1.000 177.291 176.300 -0.015 0.000 1.158 54 D CA 1.298 55.319 54.000 0.035 0.000 0.805 54 D CB -0.751 40.061 40.800 0.020 0.000 1.098 54 D HN 0.859 nan 8.370 nan 0.000 0.426 55 K N -0.606 119.735 120.400 -0.098 0.000 2.103 55 K HA -0.141 4.179 4.320 0.000 0.000 0.207 55 K C 1.561 177.902 176.600 -0.432 0.000 1.048 55 K CA 1.254 57.342 56.287 -0.332 0.000 0.930 55 K CB -0.131 32.015 32.500 -0.589 0.000 0.716 55 K HN 0.197 nan 8.250 nan 0.000 0.444 56 F N 0.542 120.487 119.950 -0.008 0.000 2.732 56 F HA 0.116 4.643 4.527 -0.000 0.000 0.303 56 F C 0.446 176.240 175.800 -0.010 0.000 1.110 56 F CA -0.506 57.487 58.000 -0.011 0.000 1.355 56 F CB 0.082 39.072 39.000 -0.018 0.000 1.081 56 F HN -0.301 nan 8.300 nan 0.000 0.565 57 V N 1.720 121.691 119.914 0.095 0.000 2.694 57 V HA -0.091 4.029 4.120 0.000 0.000 0.306 57 V C 0.229 176.355 176.094 0.052 0.000 1.054 57 V CA 0.312 62.649 62.300 0.061 0.000 1.161 57 V CB 0.387 32.232 31.823 0.036 0.000 0.916 57 V HN 0.274 nan 8.190 nan 0.000 0.490 58 E N 2.819 123.040 120.200 0.035 0.000 2.288 58 E HA 0.374 4.724 4.350 0.000 0.000 0.268 58 E C -0.698 175.899 176.600 -0.004 0.000 0.885 58 E CA -0.841 55.567 56.400 0.013 0.000 0.767 58 E CB 1.652 31.314 29.700 -0.064 0.000 1.220 58 E HN 0.911 nan 8.360 nan 0.000 0.427 59 H N 1.438 120.513 119.070 0.008 0.000 2.836 59 H HA 0.189 4.745 4.556 -0.000 0.000 0.368 59 H C 0.089 175.406 175.328 -0.017 0.000 1.164 59 H CA 0.286 56.334 56.048 0.000 0.000 1.425 59 H CB 1.148 30.913 29.762 0.005 0.000 1.414 59 H HN 0.557 nan 8.280 nan 0.000 0.614 60 R N 0.436 120.935 120.500 -0.002 0.000 2.225 60 R HA 0.094 4.434 4.340 0.000 0.000 0.194 60 R C 0.201 176.461 176.300 -0.067 0.000 0.949 60 R CA -0.440 55.613 56.100 -0.079 0.000 1.088 60 R CB 0.294 30.561 30.300 -0.054 0.000 1.106 60 R HN 0.601 nan 8.270 nan 0.000 0.566 61 N N 1.571 120.265 118.700 -0.009 0.000 2.412 61 N HA -0.052 4.688 4.740 0.000 0.000 0.254 61 N C 0.684 176.117 175.510 -0.128 0.000 1.232 61 N CA 0.798 53.764 53.050 -0.141 0.000 0.880 61 N CB 1.354 39.828 38.487 -0.021 0.000 1.076 61 N HN 0.241 nan 8.380 nan 0.000 0.458 62 T N -1.713 112.606 114.554 -0.392 0.000 3.054 62 T HA 0.128 4.478 4.350 0.000 0.000 0.255 62 T C 0.378 174.950 174.700 -0.214 0.000 1.035 62 T CA -0.136 61.820 62.100 -0.240 0.000 0.941 62 T CB -0.201 68.518 68.868 -0.247 0.000 1.026 62 T HN 0.290 nan 8.240 nan 0.000 0.533 63 Y N 1.451 121.697 120.300 -0.089 0.000 2.480 63 Y HA 0.394 4.944 4.550 0.000 0.000 0.338 63 Y C 0.517 176.335 175.900 -0.137 0.000 1.220 63 Y CA -1.501 56.407 58.100 -0.320 0.000 1.430 63 Y CB -0.424 37.754 38.460 -0.470 0.000 1.311 63 Y HN 0.127 nan 8.280 nan 0.000 0.575 64 F N 0.138 120.193 119.950 0.175 0.000 3.039 64 F HA -0.183 4.344 4.527 -0.000 0.000 0.287 64 F C 1.323 177.159 175.800 0.060 0.000 0.956 64 F CA 0.864 58.921 58.000 0.095 0.000 0.971 64 F CB -1.804 37.245 39.000 0.082 0.000 0.943 64 F HN 0.896 nan 8.300 nan 0.000 0.766 65 G N -0.916 107.967 108.800 0.140 0.000 2.189 65 G HA2 -0.377 3.583 3.960 0.000 0.000 0.267 65 G HA3 -0.377 3.583 3.960 0.000 0.000 0.267 65 G C 1.067 176.020 174.900 0.087 0.000 0.975 65 G CA 0.324 45.481 45.100 0.095 0.000 0.644 65 G HN 0.604 nan 8.290 nan 0.000 0.537 66 L N 0.935 122.218 121.223 0.101 0.000 2.187 66 L HA -0.045 4.295 4.340 0.000 0.000 0.213 66 L C 2.658 179.643 176.870 0.192 0.000 1.100 66 L CA 1.820 56.715 54.840 0.093 0.000 0.765 66 L CB -0.328 41.783 42.059 0.087 0.000 0.904 66 L HN 0.515 nan 8.230 nan 0.000 0.437 67 D N -1.319 119.140 120.400 0.099 0.000 2.348 67 D HA -0.125 4.515 4.640 0.000 0.000 0.216 67 D C 1.742 178.078 176.300 0.061 0.000 0.970 67 D CA 0.522 54.560 54.000 0.062 0.000 0.889 67 D CB -0.121 40.671 40.800 -0.013 0.000 0.912 67 D HN -0.003 nan 8.370 nan 0.000 0.524 68 K N -0.281 120.162 120.400 0.071 0.000 2.367 68 K HA 0.242 4.562 4.320 0.000 0.000 0.194 68 K C 0.722 177.361 176.600 0.065 0.000 1.027 68 K CA 0.451 56.770 56.287 0.053 0.000 1.075 68 K CB 0.361 32.886 32.500 0.041 0.000 0.845 68 K HN 0.437 nan 8.250 nan 0.000 0.529 69 V N -2.042 117.936 119.914 0.106 0.000 2.823 69 V HA 0.582 4.702 4.120 0.000 0.000 0.312 69 V C -0.707 175.508 176.094 0.201 0.000 1.072 69 V CA -1.515 60.847 62.300 0.104 0.000 0.937 69 V CB 2.062 33.916 31.823 0.052 0.000 1.013 69 V HN -0.036 nan 8.190 nan 0.000 0.430 70 K N 2.850 123.335 120.400 0.143 0.000 2.143 70 K HA 0.731 5.051 4.320 0.000 0.000 0.272 70 K C -1.241 175.441 176.600 0.136 0.000 1.001 70 K CA -0.562 55.827 56.287 0.169 0.000 0.915 70 K CB 1.594 34.144 32.500 0.083 0.000 1.047 70 K HN 0.686 nan 8.250 nan 0.000 0.458 71 L N 5.144 126.471 121.223 0.174 0.000 2.401 71 L HA 0.316 4.656 4.340 0.000 0.000 0.263 71 L C -2.389 174.534 176.870 0.087 0.000 1.004 71 L CA -2.312 52.583 54.840 0.090 0.000 0.881 71 L CB 1.505 43.579 42.059 0.025 0.000 1.219 71 L HN 0.333 nan 8.230 nan 0.000 0.441 72 P HA 0.042 nan 4.420 nan 0.000 0.261 72 P C 0.120 177.430 177.300 0.016 0.000 1.183 72 P CA 0.182 63.291 63.100 0.015 0.000 0.761 72 P CB 0.349 32.045 31.700 -0.007 0.000 0.785 73 R N 2.015 122.507 120.500 -0.012 0.000 3.946 73 R HA -0.280 4.060 4.340 0.000 0.000 0.329 73 R C 0.330 176.631 176.300 0.001 0.000 1.209 73 R CA 0.845 56.932 56.100 -0.022 0.000 0.909 73 R CB -2.312 27.972 30.300 -0.025 0.000 1.355 73 R HN 0.493 nan 8.270 nan 0.000 0.539 74 D N -0.768 119.662 120.400 0.050 0.000 2.782 74 D HA -0.213 4.427 4.640 0.000 0.000 0.231 74 D C 1.036 177.398 176.300 0.103 0.000 1.163 74 D CA 2.602 56.656 54.000 0.089 0.000 0.680 74 D CB -1.123 39.746 40.800 0.115 0.000 1.062 74 D HN 0.822 nan 8.370 nan 0.000 0.425 75 G N -2.561 106.278 108.800 0.064 0.000 2.157 75 G HA2 -0.165 3.795 3.960 0.000 0.000 0.248 75 G HA3 -0.165 3.795 3.960 0.000 0.000 0.248 75 G C 0.207 175.077 174.900 -0.050 0.000 0.979 75 G CA 0.330 45.488 45.100 0.096 0.000 0.650 75 G HN 1.139 nan 8.290 nan 0.000 0.529 76 V N 0.874 120.658 119.914 -0.217 0.000 2.808 76 V HA 0.713 4.833 4.120 0.000 0.000 0.308 76 V C -0.351 175.719 176.094 -0.039 0.000 1.099 76 V CA -1.150 61.019 62.300 -0.219 0.000 0.920 76 V CB 1.776 33.225 31.823 -0.622 0.000 1.014 76 V HN 0.315 nan 8.190 nan 0.000 0.425 77 I N 5.858 126.478 120.570 0.084 0.000 2.331 77 I HA 0.537 4.707 4.170 0.000 0.000 0.292 77 I C 0.153 176.404 176.117 0.223 0.000 0.998 77 I CA -0.143 61.251 61.300 0.157 0.000 1.267 77 I CB 1.891 40.009 38.000 0.197 0.000 1.386 77 I HN 0.771 nan 8.210 nan 0.000 0.476 78 T N 1.930 116.621 114.554 0.229 0.000 2.876 78 T HA 0.902 5.252 4.350 0.000 0.000 0.289 78 T C -0.241 174.603 174.700 0.240 0.000 1.014 78 T CA -0.733 61.518 62.100 0.251 0.000 0.986 78 T CB 2.258 71.207 68.868 0.136 0.000 1.021 78 T HN 0.935 nan 8.240 nan 0.000 0.458 79 G N 0.528 109.484 108.800 0.260 0.000 2.348 79 G HA2 0.529 4.489 3.960 0.000 0.000 0.296 79 G HA3 0.529 4.489 3.960 0.000 0.000 0.296 79 G C -2.006 172.946 174.900 0.087 0.000 1.258 79 G CA -0.457 44.629 45.100 -0.023 0.000 0.868 79 G HN 0.987 nan 8.290 nan 0.000 0.488 80 V N 0.307 120.169 119.914 -0.086 0.000 2.588 80 V HA 0.864 4.984 4.120 0.000 0.000 0.304 80 V C 0.709 176.848 176.094 0.075 0.000 1.042 80 V CA 0.404 62.728 62.300 0.041 0.000 0.877 80 V CB 1.233 33.056 31.823 0.000 0.000 0.996 80 V HN 1.490 nan 8.190 nan 0.000 0.425 81 G N 3.074 111.988 108.800 0.190 0.000 3.222 81 G HA2 0.762 4.722 3.960 0.000 0.000 0.263 81 G HA3 0.762 4.722 3.960 0.000 0.000 0.263 81 G C -1.279 173.679 174.900 0.095 0.000 1.312 81 G CA -0.518 44.696 45.100 0.190 0.000 0.934 81 G HN 0.580 nan 8.290 nan 0.000 0.577 82 E N -0.746 119.499 120.200 0.075 0.000 2.238 82 E HA 0.528 4.878 4.350 0.000 0.000 0.267 82 E C -1.108 175.501 176.600 0.015 0.000 0.887 82 E CA -0.462 55.958 56.400 0.034 0.000 0.769 82 E CB 2.839 32.553 29.700 0.023 0.000 1.187 82 E HN 0.217 nan 8.360 nan 0.000 0.416 83 I N 3.048 123.613 120.570 -0.009 0.000 2.439 83 I HA 0.192 4.362 4.170 0.000 0.000 0.283 83 I C -0.420 175.669 176.117 -0.047 0.000 1.023 83 I CA -0.626 60.654 61.300 -0.035 0.000 1.100 83 I CB 1.126 39.095 38.000 -0.051 0.000 1.238 83 I HN 0.502 nan 8.210 nan 0.000 0.445 84 N N 5.294 123.965 118.700 -0.048 0.000 2.725 84 N HA -0.199 4.541 4.740 0.000 0.000 0.251 84 N C 0.945 176.431 175.510 -0.041 0.000 1.031 84 N CA 1.268 54.286 53.050 -0.053 0.000 0.720 84 N CB -0.726 37.713 38.487 -0.079 0.000 0.930 84 N HN 1.181 nan 8.380 nan 0.000 0.543 85 G N -1.057 107.728 108.800 -0.025 0.000 2.184 85 G HA2 -0.363 3.597 3.960 0.000 0.000 0.264 85 G HA3 -0.363 3.597 3.960 0.000 0.000 0.264 85 G C 0.113 175.005 174.900 -0.013 0.000 0.975 85 G CA 0.764 45.855 45.100 -0.016 0.000 0.642 85 G HN 0.599 nan 8.290 nan 0.000 0.536 86 R N 0.160 120.650 120.500 -0.016 0.000 2.562 86 R HA 0.507 4.847 4.340 0.000 0.000 0.298 86 R C -0.104 176.196 176.300 -0.000 0.000 0.961 86 R CA -1.050 55.044 56.100 -0.011 0.000 0.881 86 R CB 1.189 31.476 30.300 -0.023 0.000 1.159 86 R HN -0.028 nan 8.270 nan 0.000 0.450 87 K N 2.324 122.729 120.400 0.009 0.000 2.451 87 K HA 0.132 4.452 4.320 0.000 0.000 0.280 87 K C -0.020 176.595 176.600 0.025 0.000 1.020 87 K CA 0.005 56.305 56.287 0.021 0.000 1.008 87 K CB 0.642 33.155 32.500 0.022 0.000 0.917 87 K HN 0.475 nan 8.250 nan 0.000 0.478 88 V N -1.447 118.490 119.914 0.039 0.000 2.760 88 V HA 0.728 4.848 4.120 0.000 0.000 0.309 88 V C -0.373 175.767 176.094 0.076 0.000 1.077 88 V CA -1.329 60.997 62.300 0.044 0.000 0.910 88 V CB 1.846 33.683 31.823 0.024 0.000 1.008 88 V HN 0.713 nan 8.190 nan 0.000 0.424 89 A N 3.712 126.581 122.820 0.083 0.000 2.328 89 A HA 0.856 5.176 4.320 0.000 0.000 0.284 89 A C -0.332 177.327 177.584 0.125 0.000 1.160 89 A CA -0.491 51.617 52.037 0.118 0.000 0.818 89 A CB 0.965 20.038 19.000 0.121 0.000 1.087 89 A HN 1.442 nan 8.150 nan 0.000 0.504 90 V N 2.555 122.576 119.914 0.178 0.000 2.789 90 V HA 0.680 4.800 4.120 0.000 0.000 0.311 90 V C -0.778 175.448 176.094 0.221 0.000 1.073 90 V CA -0.453 61.918 62.300 0.118 0.000 0.921 90 V CB 1.534 33.407 31.823 0.084 0.000 1.009 90 V HN 0.921 nan 8.190 nan 0.000 0.426 91 F N 1.053 121.054 119.950 0.086 0.000 2.577 91 F HA 0.892 5.419 4.527 -0.000 0.000 0.318 91 F C -0.292 175.532 175.800 0.039 0.000 1.065 91 F CA -1.063 56.979 58.000 0.070 0.000 0.929 91 F CB 2.223 41.259 39.000 0.061 0.000 1.237 91 F HN 0.344 nan 8.300 nan 0.000 0.468 92 S N 2.041 117.884 115.700 0.237 0.000 2.746 92 S HA 0.306 4.776 4.470 0.000 0.000 0.273 92 S C -1.116 173.596 174.600 0.186 0.000 1.172 92 S CA -0.555 57.713 58.200 0.114 0.000 1.116 92 S CB 0.575 63.782 63.200 0.011 0.000 1.057 92 S HN 0.779 nan 8.310 nan 0.000 0.483 93 Q N 2.183 122.128 119.800 0.242 0.000 2.337 93 Q HA 0.152 4.492 4.340 0.000 0.000 0.270 93 Q C -0.728 175.374 176.000 0.170 0.000 1.002 93 Q CA 0.004 55.941 55.803 0.224 0.000 0.888 93 Q CB 0.602 29.534 28.738 0.324 0.000 1.222 93 Q HN 0.496 nan 8.270 nan 0.000 0.400 94 D N 2.009 122.510 120.400 0.168 0.000 2.467 94 D HA 0.053 4.693 4.640 0.000 0.000 0.220 94 D C -0.141 176.257 176.300 0.164 0.000 1.103 94 D CA -0.410 53.685 54.000 0.159 0.000 0.886 94 D CB 0.139 41.063 40.800 0.207 0.000 1.025 94 D HN 0.462 nan 8.370 nan 0.000 0.514 95 F N 2.384 122.346 119.950 0.020 0.000 2.250 95 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 95 F C 2.351 178.162 175.800 0.017 0.000 1.077 95 F CA 1.906 59.914 58.000 0.014 0.000 1.348 95 F CB -0.081 38.906 39.000 -0.021 0.000 1.040 95 F HN 0.418 nan 8.300 nan 0.000 0.509 96 T N -2.473 112.127 114.554 0.077 0.000 3.051 96 T HA 0.022 4.372 4.350 0.000 0.000 0.269 96 T C 0.906 175.592 174.700 -0.024 0.000 1.127 96 T CA 0.814 62.931 62.100 0.029 0.000 1.107 96 T CB -0.948 67.989 68.868 0.115 0.000 0.898 96 T HN -0.030 nan 8.240 nan 0.000 0.517 100 G N 0.783 109.421 108.800 -0.270 0.000 2.187 100 G HA2 -0.091 3.869 3.960 0.000 0.000 0.261 100 G HA3 -0.091 3.869 3.960 0.000 0.000 0.261 100 G C 0.792 175.709 174.900 0.029 0.000 1.000 100 G CA 0.969 46.086 45.100 0.028 0.000 0.718 100 G HN 2.009 nan 8.290 nan 0.000 0.519 101 S N -1.049 114.608 115.700 -0.073 0.000 2.558 101 S HA 0.347 4.817 4.470 0.000 0.000 0.288 101 S C 0.484 174.912 174.600 -0.287 0.000 1.318 101 S CA -0.164 57.968 58.200 -0.114 0.000 1.056 101 S CB 1.852 64.993 63.200 -0.098 0.000 0.853 101 S HN 1.203 nan 8.310 nan 0.000 0.505 102 L N 3.674 124.652 121.223 -0.407 0.000 2.342 102 L HA 0.534 4.874 4.340 0.000 0.000 0.285 102 L C 0.729 177.323 176.870 -0.460 0.000 1.095 102 L CA 0.129 54.505 54.840 -0.772 0.000 0.843 102 L CB -0.413 41.152 42.059 -0.822 0.000 1.201 102 L HN 0.933 nan 8.230 nan 0.000 0.445 103 G N 3.509 112.112 108.800 -0.328 0.000 2.522 103 G HA2 0.196 4.156 3.960 0.000 0.000 0.304 103 G HA3 0.196 4.156 3.960 0.000 0.000 0.304 103 G C -0.418 174.410 174.900 -0.119 0.000 1.210 103 G CA -0.542 44.475 45.100 -0.138 0.000 0.960 103 G HN 0.675 nan 8.290 nan 0.000 0.497 107 A N 2.321 125.182 122.820 0.069 0.000 1.933 107 A HA -0.088 4.232 4.320 0.000 0.000 0.218 107 A C 2.234 179.779 177.584 -0.066 0.000 1.175 107 A CA 1.784 53.781 52.037 -0.066 0.000 0.628 107 A CB -0.438 18.439 19.000 -0.205 0.000 0.814 107 A HN 0.443 nan 8.150 nan 0.000 0.444 108 K N -0.235 120.141 120.400 -0.040 0.000 2.148 108 K HA -0.086 4.234 4.320 0.000 0.000 0.204 108 K C 1.997 178.578 176.600 -0.031 0.000 1.050 108 K CA 1.284 57.551 56.287 -0.033 0.000 0.942 108 K CB -0.121 32.369 32.500 -0.017 0.000 0.724 108 K HN 0.428 nan 8.250 nan 0.000 0.446 109 K N 0.873 121.252 120.400 -0.035 0.000 2.032 109 K HA -0.130 4.190 4.320 0.000 0.000 0.209 109 K C 2.085 178.647 176.600 -0.063 0.000 1.048 109 K CA 1.417 57.678 56.287 -0.043 0.000 0.927 109 K CB -0.179 32.284 32.500 -0.062 0.000 0.712 109 K HN 0.107 nan 8.250 nan 0.000 0.441 110 I N 0.668 121.157 120.570 -0.135 0.000 2.179 110 I HA -0.278 3.892 4.170 0.000 0.000 0.242 110 I C 2.266 178.325 176.117 -0.096 0.000 1.088 110 I CA 1.034 62.202 61.300 -0.220 0.000 1.357 110 I CB -0.346 37.382 38.000 -0.454 0.000 1.051 110 I HN -0.043 nan 8.210 nan 0.000 0.409 111 V N 1.224 121.097 119.914 -0.069 0.000 2.287 111 V HA -0.353 3.767 4.120 0.000 0.000 0.248 111 V C 2.568 178.665 176.094 0.005 0.000 1.053 111 V CA 2.281 64.568 62.300 -0.022 0.000 1.027 111 V CB -0.757 31.050 31.823 -0.027 0.000 0.646 111 V HN 0.447 nan 8.190 nan 0.000 0.447 112 K N -0.276 120.125 120.400 0.001 0.000 2.063 112 K HA -0.246 4.074 4.320 0.000 0.000 0.208 112 K C 2.136 178.757 176.600 0.035 0.000 1.048 112 K CA 1.928 58.225 56.287 0.016 0.000 0.928 112 K CB -0.288 32.219 32.500 0.011 0.000 0.713 112 K HN 0.343 nan 8.250 nan 0.000 0.442 113 L N 1.324 122.573 121.223 0.045 0.000 2.017 113 L HA -0.126 4.214 4.340 0.000 0.000 0.208 113 L C 2.004 178.936 176.870 0.104 0.000 1.073 113 L CA 1.486 56.377 54.840 0.085 0.000 0.745 113 L CB -0.275 41.863 42.059 0.132 0.000 0.894 113 L HN 0.236 nan 8.230 nan 0.000 0.432 114 L N -0.701 120.584 121.223 0.102 0.000 2.046 114 L HA -0.226 4.114 4.340 0.000 0.000 0.208 114 L C 2.282 179.205 176.870 0.088 0.000 1.077 114 L CA 1.649 56.557 54.840 0.114 0.000 0.747 114 L CB -0.927 41.202 42.059 0.116 0.000 0.896 114 L HN 0.380 nan 8.230 nan 0.000 0.432 115 D N 0.436 120.875 120.400 0.066 0.000 2.104 115 D HA -0.204 4.436 4.640 0.000 0.000 0.194 115 D C 2.243 178.576 176.300 0.055 0.000 0.994 115 D CA 1.373 55.405 54.000 0.054 0.000 0.830 115 D CB 0.017 40.841 40.800 0.039 0.000 0.959 115 D HN 0.210 nan 8.370 nan 0.000 0.452 116 L N -0.007 121.249 121.223 0.056 0.000 2.072 116 L HA 0.004 4.344 4.340 0.000 0.000 0.205 116 L C 2.701 179.607 176.870 0.060 0.000 1.079 116 L CA 0.882 55.753 54.840 0.051 0.000 0.752 116 L CB -0.602 41.483 42.059 0.044 0.000 0.906 116 L HN 0.096 nan 8.230 nan 0.000 0.436 117 A N 0.288 123.154 122.820 0.077 0.000 1.892 117 A HA -0.275 4.045 4.320 0.000 0.000 0.218 117 A C 2.236 179.869 177.584 0.081 0.000 1.188 117 A CA 2.121 54.208 52.037 0.084 0.000 0.631 117 A CB -0.835 18.228 19.000 0.106 0.000 0.822 117 A HN 0.327 nan 8.150 nan 0.000 0.447 118 L N -0.264 121.008 121.223 0.083 0.000 2.046 118 L HA -0.001 4.339 4.340 0.000 0.000 0.208 118 L C 1.418 178.327 176.870 0.065 0.000 1.077 118 L CA 1.974 56.862 54.840 0.081 0.000 0.747 118 L CB -0.553 41.554 42.059 0.080 0.000 0.896 118 L HN 0.459 nan 8.230 nan 0.000 0.432 122 I N -2.333 118.276 120.570 0.065 0.000 2.846 122 I HA 0.855 5.025 4.170 0.000 0.000 0.307 122 I C -2.814 173.341 176.117 0.063 0.000 1.053 122 I CA -3.294 58.039 61.300 0.055 0.000 1.050 122 I CB 2.498 40.526 38.000 0.047 0.000 1.239 122 I HN -0.159 nan 8.210 nan 0.000 0.439 123 P HA 0.321 nan 4.420 nan 0.000 0.276 123 P C -1.003 176.333 177.300 0.060 0.000 1.261 123 P CA -0.402 62.725 63.100 0.045 0.000 0.800 123 P CB 1.056 32.760 31.700 0.006 0.000 1.066 124 V N 1.436 121.393 119.914 0.072 0.000 2.588 124 V HA 0.447 4.567 4.120 0.000 0.000 0.304 124 V C -0.028 176.086 176.094 0.033 0.000 1.042 124 V CA -0.406 61.944 62.300 0.084 0.000 0.877 124 V CB 1.486 33.397 31.823 0.146 0.000 0.996 124 V HN 0.317 nan 8.190 nan 0.000 0.425 125 I N 3.370 123.920 120.570 -0.034 0.000 2.418 125 I HA 0.685 4.855 4.170 0.000 0.000 0.287 125 I C 0.601 176.489 176.117 -0.381 0.000 1.008 125 I CA -0.114 61.107 61.300 -0.132 0.000 1.104 125 I CB 1.981 39.913 38.000 -0.114 0.000 1.264 125 I HN 0.734 nan 8.210 nan 0.000 0.438 126 G N 7.074 115.533 108.800 -0.568 0.000 2.417 126 G HA2 0.724 4.684 3.960 0.000 0.000 0.320 126 G HA3 0.724 4.684 3.960 0.000 0.000 0.320 126 G C -0.594 173.881 174.900 -0.709 0.000 1.204 126 G CA -0.455 43.766 45.100 -1.464 0.000 0.923 126 G HN 0.506 nan 8.290 nan 0.000 0.466 127 I N 2.188 122.394 120.570 -0.607 0.000 2.307 127 I HA 0.186 4.356 4.170 0.000 0.000 0.289 127 I C -0.573 175.538 176.117 -0.011 0.000 1.021 127 I CA -0.817 60.359 61.300 -0.207 0.000 1.224 127 I CB 1.334 39.244 38.000 -0.150 0.000 1.376 127 I HN 0.279 nan 8.210 nan 0.000 0.470 128 N N 4.936 123.670 118.700 0.057 0.000 2.438 128 N HA 0.397 5.137 4.740 0.000 0.000 0.282 128 N C -0.819 174.747 175.510 0.095 0.000 1.037 128 N CA -0.304 52.839 53.050 0.154 0.000 0.942 128 N CB 1.048 39.624 38.487 0.148 0.000 1.136 128 N HN 0.458 nan 8.380 nan 0.000 0.481 129 D N 0.588 121.077 120.400 0.149 0.000 2.634 129 D HA 0.169 4.809 4.640 0.000 0.000 0.236 129 D C -1.695 174.793 176.300 0.312 0.000 1.323 129 D CA -0.090 53.993 54.000 0.138 0.000 0.884 129 D CB 0.226 41.076 40.800 0.084 0.000 1.496 129 D HN 0.300 nan 8.370 nan 0.000 0.525 130 S N 0.612 116.480 115.700 0.280 0.000 2.566 130 S HA 0.565 5.035 4.470 0.000 0.000 0.273 130 S C 1.089 175.815 174.600 0.210 0.000 1.157 130 S CA -0.033 58.325 58.200 0.262 0.000 0.938 130 S CB 1.233 64.546 63.200 0.187 0.000 1.087 130 S HN 0.271 nan 8.310 nan 0.000 0.474 131 G N 2.155 111.074 108.800 0.198 0.000 2.509 131 G HA2 0.445 4.405 3.960 0.000 0.000 0.218 131 G HA3 0.445 4.405 3.960 0.000 0.000 0.218 131 G C 0.946 175.891 174.900 0.076 0.000 1.124 131 G CA 0.619 45.802 45.100 0.138 0.000 0.776 131 G HN 1.602 nan 8.290 nan 0.000 0.547 132 G N -1.354 107.494 108.800 0.079 0.000 2.270 132 G HA2 0.471 4.431 3.960 0.000 0.000 0.268 132 G HA3 0.471 4.431 3.960 0.000 0.000 0.268 132 G C -0.150 174.829 174.900 0.132 0.000 1.312 132 G CA -0.230 44.938 45.100 0.113 0.000 1.050 132 G HN 1.151 nan 8.290 nan 0.000 0.474 133 A N -0.033 122.908 122.820 0.202 0.000 2.531 133 A HA 0.549 4.869 4.320 0.000 0.000 0.236 133 A C 0.955 178.546 177.584 0.012 0.000 1.062 133 A CA 0.875 52.996 52.037 0.141 0.000 0.760 133 A CB 0.058 19.182 19.000 0.206 0.000 0.995 133 A HN 0.965 nan 8.150 nan 0.000 0.501 134 R N 3.208 123.673 120.500 -0.060 0.000 2.387 134 R HA 0.115 4.455 4.340 0.000 0.000 0.321 134 R C 0.600 176.896 176.300 -0.008 0.000 1.174 134 R CA -0.522 55.549 56.100 -0.049 0.000 1.002 134 R CB -0.170 30.085 30.300 -0.074 0.000 1.028 134 R HN 0.747 nan 8.270 nan 0.000 0.482 135 I N 3.276 123.840 120.570 -0.011 0.000 2.264 135 I HA -0.291 3.879 4.170 0.000 0.000 0.248 135 I C 1.710 177.825 176.117 -0.005 0.000 1.111 135 I CA 1.453 62.742 61.300 -0.019 0.000 1.382 135 I CB -0.664 37.302 38.000 -0.057 0.000 1.060 135 I HN 0.631 nan 8.210 nan 0.000 0.418 136 Q N 0.626 120.444 119.800 0.031 0.000 2.170 136 Q HA -0.155 4.185 4.340 0.000 0.000 0.203 136 Q C 1.951 178.163 176.000 0.354 0.000 0.976 136 Q CA 1.084 57.013 55.803 0.210 0.000 0.858 136 Q CB -0.227 28.663 28.738 0.253 0.000 0.907 136 Q HN 0.529 nan 8.270 nan 0.000 0.433 137 E N -0.363 119.965 120.200 0.214 0.000 2.482 137 E HA 0.058 4.408 4.350 0.000 0.000 0.196 137 E C 1.011 177.698 176.600 0.145 0.000 1.047 137 E CA 0.276 56.819 56.400 0.238 0.000 0.869 137 E CB 0.022 29.799 29.700 0.127 0.000 0.836 137 E HN 0.385 nan 8.360 nan 0.000 0.520 138 G N 1.192 110.036 108.800 0.074 0.000 2.622 138 G HA2 -0.410 3.550 3.960 0.000 0.000 0.307 138 G HA3 -0.410 3.550 3.960 0.000 0.000 0.307 138 G C 1.027 175.943 174.900 0.027 0.000 1.226 138 G CA 0.325 45.436 45.100 0.018 0.000 0.997 138 G HN 0.172 nan 8.290 nan 0.000 0.551 139 V N 1.745 121.669 119.914 0.017 0.000 2.759 139 V HA -0.065 4.055 4.120 0.000 0.000 0.256 139 V C 2.502 178.614 176.094 0.029 0.000 1.080 139 V CA 2.659 64.975 62.300 0.026 0.000 1.101 139 V CB -0.512 31.322 31.823 0.019 0.000 0.698 139 V HN 0.617 nan 8.190 nan 0.000 0.477 140 D N 0.664 121.089 120.400 0.041 0.000 2.178 140 D HA -0.114 4.526 4.640 0.000 0.000 0.201 140 D C 2.230 178.517 176.300 -0.021 0.000 0.980 140 D CA 1.502 55.518 54.000 0.027 0.000 0.842 140 D CB -0.090 40.747 40.800 0.060 0.000 0.948 140 D HN 0.472 nan 8.370 nan 0.000 0.472 141 A N 0.655 123.459 122.820 -0.027 0.000 1.898 141 A HA -0.091 4.229 4.320 0.000 0.000 0.216 141 A C 2.386 179.914 177.584 -0.094 0.000 1.181 141 A CA 0.721 52.690 52.037 -0.113 0.000 0.620 141 A CB -0.648 18.303 19.000 -0.081 0.000 0.819 141 A HN 0.187 nan 8.150 nan 0.000 0.442 142 L N -0.741 120.502 121.223 0.032 0.000 2.046 142 L HA -0.196 4.144 4.340 0.000 0.000 0.208 142 L C 3.122 180.007 176.870 0.025 0.000 1.077 142 L CA 1.064 55.964 54.840 0.100 0.000 0.747 142 L CB -0.691 41.425 42.059 0.095 0.000 0.896 142 L HN 0.435 nan 8.230 nan 0.000 0.432 143 A N 0.556 123.371 122.820 -0.008 0.000 1.917 143 A HA -0.182 4.138 4.320 0.000 0.000 0.219 143 A C 2.401 179.935 177.584 -0.084 0.000 1.182 143 A CA 1.995 54.014 52.037 -0.030 0.000 0.633 143 A CB -1.314 17.676 19.000 -0.017 0.000 0.819 143 A HN 0.464 nan 8.150 nan 0.000 0.448 144 G N -1.748 106.972 108.800 -0.133 0.000 2.433 144 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 144 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 144 G C 1.450 176.184 174.900 -0.277 0.000 1.186 144 G CA 1.167 46.144 45.100 -0.205 0.000 0.779 144 G HN 0.464 nan 8.290 nan 0.000 0.543 145 Y N 1.458 121.580 120.300 -0.296 0.000 2.081 145 Y HA -0.135 4.415 4.550 0.000 0.000 0.280 145 Y C 3.092 178.372 175.900 -1.034 0.000 1.163 145 Y CA 0.955 58.691 58.100 -0.605 0.000 1.135 145 Y CB -0.990 37.203 38.460 -0.445 0.000 0.970 145 Y HN 0.186 nan 8.280 nan 0.000 0.498 146 G N -0.623 107.920 108.800 -0.429 0.000 2.469 146 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 146 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 146 G C 1.528 176.324 174.900 -0.174 0.000 1.150 146 G CA 1.247 46.181 45.100 -0.277 0.000 0.763 146 G HN 0.462 nan 8.290 nan 0.000 0.561 147 E N -0.038 120.076 120.200 -0.144 0.000 2.106 147 E HA -0.021 4.329 4.350 0.000 0.000 0.192 147 E C 2.524 179.096 176.600 -0.046 0.000 0.984 147 E CA 0.430 56.791 56.400 -0.064 0.000 0.806 147 E CB -0.132 29.533 29.700 -0.057 0.000 0.750 147 E HN 0.495 nan 8.360 nan 0.000 0.458 148 I N 0.711 121.214 120.570 -0.111 0.000 2.118 148 I HA -0.297 3.873 4.170 0.000 0.000 0.241 148 I C 2.035 178.240 176.117 0.146 0.000 1.070 148 I CA 1.146 62.432 61.300 -0.022 0.000 1.327 148 I CB -0.365 37.604 38.000 -0.052 0.000 1.034 148 I HN 0.068 nan 8.210 nan 0.000 0.405 149 F N 0.422 120.435 119.950 0.104 0.000 2.126 149 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 149 F C 2.334 178.168 175.800 0.057 0.000 1.096 149 F CA 1.047 59.098 58.000 0.084 0.000 1.255 149 F CB -1.469 37.570 39.000 0.066 0.000 0.997 149 F HN 0.054 nan 8.300 nan 0.000 0.479 150 L N 0.499 121.855 121.223 0.223 0.000 2.012 150 L HA -0.190 4.150 4.340 0.000 0.000 0.210 150 L C 2.481 179.420 176.870 0.114 0.000 1.073 150 L CA 1.781 56.699 54.840 0.131 0.000 0.748 150 L CB -0.584 41.525 42.059 0.083 0.000 0.891 150 L HN -0.115 nan 8.230 nan 0.000 0.431 151 R N 0.235 120.801 120.500 0.111 0.000 2.081 151 R HA -0.105 4.235 4.340 0.000 0.000 0.235 151 R C 2.092 178.469 176.300 0.130 0.000 1.131 151 R CA 1.811 57.974 56.100 0.105 0.000 0.960 151 R CB -1.575 28.780 30.300 0.092 0.000 0.856 151 R HN 0.610 nan 8.270 nan 0.000 0.436 152 N N -0.579 118.222 118.700 0.167 0.000 2.166 152 N HA -0.109 4.631 4.740 0.000 0.000 0.186 152 N C 1.420 177.009 175.510 0.131 0.000 1.019 152 N CA 1.700 54.852 53.050 0.170 0.000 0.856 152 N CB -0.110 38.500 38.487 0.205 0.000 0.993 152 N HN 0.164 nan 8.380 nan 0.000 0.426 153 T N 1.194 115.816 114.554 0.114 0.000 2.708 153 T HA -0.038 4.312 4.350 0.000 0.000 0.266 153 T C 1.923 176.663 174.700 0.066 0.000 1.037 153 T CA 0.775 62.919 62.100 0.073 0.000 1.146 153 T CB -0.244 68.657 68.868 0.055 0.000 0.865 153 T HN 0.145 nan 8.240 nan 0.000 0.435 154 L N 0.654 121.921 121.223 0.074 0.000 2.093 154 L HA 0.006 4.346 4.340 0.000 0.000 0.208 154 L C 2.814 179.730 176.870 0.075 0.000 1.085 154 L CA 1.039 55.918 54.840 0.065 0.000 0.755 154 L CB -0.508 41.590 42.059 0.064 0.000 0.904 154 L HN 0.234 nan 8.230 nan 0.000 0.435 155 A N -1.295 121.585 122.820 0.099 0.000 2.208 155 A HA -0.008 4.312 4.320 0.000 0.000 0.209 155 A C 1.368 179.041 177.584 0.149 0.000 1.161 155 A CA 0.136 52.246 52.037 0.123 0.000 0.782 155 A CB -0.180 18.904 19.000 0.140 0.000 0.816 155 A HN 0.240 nan 8.150 nan 0.000 0.477 156 S N -0.142 115.632 115.700 0.123 0.000 2.488 156 S HA 0.408 4.878 4.470 0.000 0.000 0.278 156 S C 1.360 176.010 174.600 0.084 0.000 1.259 156 S CA 0.645 58.925 58.200 0.133 0.000 1.061 156 S CB -0.079 63.173 63.200 0.088 0.000 0.910 156 S HN 1.730 nan 8.310 nan 0.000 0.491 157 G N 3.042 111.910 108.800 0.115 0.000 2.155 157 G HA2 -0.232 3.728 3.960 0.000 0.000 0.257 157 G HA3 -0.232 3.728 3.960 0.000 0.000 0.257 157 G C 0.519 175.235 174.900 -0.306 0.000 0.983 157 G CA 0.495 45.447 45.100 -0.248 0.000 0.676 157 G HN 0.818 nan 8.290 nan 0.000 0.528 158 V N -0.864 119.087 119.914 0.062 0.000 2.854 158 V HA 0.401 4.521 4.120 0.000 0.000 0.236 158 V C 1.308 177.607 176.094 0.341 0.000 1.157 158 V CA 1.306 63.670 62.300 0.108 0.000 1.187 158 V CB 0.691 32.567 31.823 0.089 0.000 0.949 158 V HN 1.085 nan 8.190 nan 0.000 0.488 159 V N -1.882 118.258 119.914 0.375 0.000 2.823 159 V HA 0.713 4.833 4.120 0.000 0.000 0.312 159 V C -3.111 173.130 176.094 0.246 0.000 1.072 159 V CA -2.798 59.687 62.300 0.308 0.000 0.937 159 V CB 1.632 33.556 31.823 0.169 0.000 1.013 159 V HN 0.153 nan 8.190 nan 0.000 0.430 160 P HA 0.363 nan 4.420 nan 0.000 0.271 160 P C -1.085 176.273 177.300 0.096 0.000 1.216 160 P CA 0.072 63.127 63.100 -0.075 0.000 0.776 160 P CB 0.322 31.901 31.700 -0.202 0.000 0.881 161 Q N 2.150 122.046 119.800 0.160 0.000 2.309 161 Q HA 0.553 4.893 4.340 0.000 0.000 0.270 161 Q C -0.713 175.369 176.000 0.136 0.000 1.023 161 Q CA -0.374 55.515 55.803 0.143 0.000 0.758 161 Q CB 1.670 30.506 28.738 0.163 0.000 1.247 161 Q HN 0.419 nan 8.270 nan 0.000 0.455 162 I N 1.380 122.013 120.570 0.105 0.000 2.509 162 I HA 0.452 4.622 4.170 0.000 0.000 0.293 162 I C -0.313 175.835 176.117 0.051 0.000 1.020 162 I CA -0.629 60.736 61.300 0.109 0.000 1.088 162 I CB 2.358 40.400 38.000 0.071 0.000 1.267 162 I HN 0.401 nan 8.210 nan 0.000 0.430 163 T N 5.045 119.647 114.554 0.080 0.000 2.829 163 T HA 0.515 4.865 4.350 0.000 0.000 0.280 163 T C -0.446 174.275 174.700 0.036 0.000 0.999 163 T CA -0.484 61.639 62.100 0.039 0.000 0.983 163 T CB 1.995 70.916 68.868 0.088 0.000 0.968 163 T HN 0.184 nan 8.240 nan 0.000 0.446 164 V N 4.800 124.700 119.914 -0.023 0.000 2.384 164 V HA 0.437 4.557 4.120 0.000 0.000 0.287 164 V C -0.295 175.793 176.094 -0.010 0.000 1.020 164 V CA -0.954 61.339 62.300 -0.013 0.000 0.850 164 V CB 1.379 33.172 31.823 -0.051 0.000 0.987 164 V HN 0.732 nan 8.190 nan 0.000 0.436 165 I N 4.339 124.912 120.570 0.005 0.000 2.297 165 I HA 0.470 4.640 4.170 0.000 0.000 0.291 165 I C 0.801 176.903 176.117 -0.025 0.000 1.033 165 I CA 0.025 61.319 61.300 -0.010 0.000 1.253 165 I CB 0.989 38.975 38.000 -0.022 0.000 1.396 165 I HN 0.739 nan 8.210 nan 0.000 0.476 166 A N 4.547 127.343 122.820 -0.040 0.000 2.609 166 A HA 0.736 5.056 4.320 0.000 0.000 0.286 166 A C 0.662 178.185 177.584 -0.102 0.000 1.138 166 A CA 0.153 52.152 52.037 -0.064 0.000 0.960 166 A CB 0.329 19.289 19.000 -0.066 0.000 1.208 166 A HN 0.822 nan 8.150 nan 0.000 0.541 167 G N -0.429 108.307 108.800 -0.106 0.000 2.490 167 G HA2 0.534 4.494 3.960 0.000 0.000 0.308 167 G HA3 0.534 4.494 3.960 0.000 0.000 0.308 167 G C -3.477 171.339 174.900 -0.139 0.000 1.286 167 G CA -0.736 44.255 45.100 -0.182 0.000 0.825 167 G HN -0.077 nan 8.290 nan 0.000 0.479 168 P HA 0.350 nan 4.420 nan 0.000 0.268 168 P C -0.400 176.842 177.300 -0.097 0.000 1.208 168 P CA 0.042 63.073 63.100 -0.114 0.000 0.777 168 P CB 1.272 32.968 31.700 -0.007 0.000 0.875 169 C N 2.452 121.617 119.300 -0.225 0.000 3.309 169 C HA 0.674 5.134 4.460 0.000 0.000 0.335 169 C C -0.543 174.226 174.990 -0.368 0.000 1.018 169 C CA -0.063 58.841 59.018 -0.190 0.000 1.326 169 C CB -0.788 26.865 27.740 -0.146 0.000 1.752 169 C HN 0.692 nan 8.230 nan 0.000 0.567 170 A N 3.765 126.413 122.820 -0.287 0.000 2.356 170 A HA 0.961 5.281 4.320 0.000 0.000 0.323 170 A C 0.853 178.350 177.584 -0.144 0.000 1.119 170 A CA 0.768 52.618 52.037 -0.310 0.000 0.790 170 A CB 0.916 19.816 19.000 -0.166 0.000 1.273 170 A HN 2.703 nan 8.150 nan 0.000 0.452 171 G N 0.999 109.739 108.800 -0.100 0.000 2.550 171 G HA2 0.004 3.964 3.960 0.000 0.000 0.277 171 G HA3 0.004 3.964 3.960 0.000 0.000 0.277 171 G C 1.260 176.013 174.900 -0.246 0.000 1.190 171 G CA 0.715 45.754 45.100 -0.100 0.000 0.971 171 G HN 2.046 nan 8.290 nan 0.000 0.559 172 G N 0.234 108.874 108.800 -0.265 0.000 2.498 172 G HA2 0.286 4.246 3.960 0.000 0.000 0.219 172 G HA3 0.286 4.246 3.960 0.000 0.000 0.219 172 G C 2.060 176.600 174.900 -0.600 0.000 1.119 172 G CA 2.574 47.455 45.100 -0.365 0.000 0.766 172 G HN 1.885 nan 8.290 nan 0.000 0.552 173 A N 0.942 123.388 122.820 -0.624 0.000 1.917 173 A HA -0.072 4.248 4.320 0.000 0.000 0.219 173 A C 2.716 180.231 177.584 -0.115 0.000 1.182 173 A CA 2.476 54.360 52.037 -0.254 0.000 0.633 173 A CB -0.896 18.101 19.000 -0.006 0.000 0.819 173 A HN 0.969 nan 8.150 nan 0.000 0.448 174 V N -3.817 115.928 119.914 -0.280 0.000 2.688 174 V HA -0.263 3.857 4.120 0.000 0.000 0.256 174 V C 2.159 178.092 176.094 -0.269 0.000 1.084 174 V CA 2.002 64.113 62.300 -0.315 0.000 1.103 174 V CB -1.414 30.129 31.823 -0.466 0.000 0.688 174 V HN 0.519 nan 8.190 nan 0.000 0.480 175 Y N 1.070 121.253 120.300 -0.195 0.000 2.395 175 Y HA 0.043 4.593 4.550 0.000 0.000 0.293 175 Y C 3.081 178.805 175.900 -0.292 0.000 1.123 175 Y CA 0.964 58.819 58.100 -0.408 0.000 1.227 175 Y CB -0.815 37.088 38.460 -0.928 0.000 1.012 175 Y HN 0.380 nan 8.280 nan 0.000 0.552 176 S N 0.151 115.957 115.700 0.178 0.000 2.345 176 S HA -0.088 4.382 4.470 0.000 0.000 0.220 176 S C -0.468 174.247 174.600 0.192 0.000 1.031 176 S CA 1.172 59.559 58.200 0.313 0.000 0.996 176 S CB -1.143 62.341 63.200 0.474 0.000 0.882 176 S HN 0.160 nan 8.310 nan 0.000 0.445 177 P HA -0.131 nan 4.420 nan 0.000 0.217 177 P C 1.453 178.791 177.300 0.063 0.000 1.158 177 P CA 2.001 65.156 63.100 0.093 0.000 0.887 177 P CB -0.388 31.328 31.700 0.027 0.000 0.792 178 A N -1.018 121.819 122.820 0.029 0.000 1.930 178 A HA -0.125 4.195 4.320 0.000 0.000 0.217 178 A C 2.181 179.783 177.584 0.030 0.000 1.175 178 A CA 1.362 53.413 52.037 0.023 0.000 0.627 178 A CB -1.578 17.444 19.000 0.038 0.000 0.815 178 A HN 0.156 nan 8.150 nan 0.000 0.443 179 L N 0.531 121.774 121.223 0.032 0.000 2.478 179 L HA 0.002 4.342 4.340 0.000 0.000 0.223 179 L C 1.654 178.568 176.870 0.073 0.000 1.140 179 L CA 0.674 55.537 54.840 0.039 0.000 0.842 179 L CB -0.732 41.353 42.059 0.044 0.000 0.953 179 L HN 0.537 nan 8.230 nan 0.000 0.452 180 T N -4.444 110.161 114.554 0.086 0.000 2.788 180 T HA 0.069 4.419 4.350 0.000 0.000 0.280 180 T C 0.809 175.510 174.700 0.002 0.000 0.984 180 T CA -0.620 61.531 62.100 0.087 0.000 0.972 180 T CB 1.057 69.993 68.868 0.113 0.000 1.039 180 T HN -0.021 nan 8.240 nan 0.000 0.530 181 D N -0.359 120.004 120.400 -0.062 0.000 2.183 181 D HA 0.137 4.777 4.640 0.000 0.000 0.205 181 D C -0.102 175.607 176.300 -0.984 0.000 0.962 181 D CA 1.164 54.905 54.000 -0.432 0.000 0.849 181 D CB 0.024 40.601 40.800 -0.372 0.000 0.978 181 D HN 0.481 nan 8.370 nan 0.000 0.488 182 F N -0.172 119.677 119.950 -0.168 0.000 2.578 182 F HA 0.464 4.992 4.527 0.000 0.000 0.311 182 F C -0.249 175.626 175.800 0.125 0.000 1.094 182 F CA -0.891 56.985 58.000 -0.206 0.000 0.923 182 F CB 2.067 41.054 39.000 -0.022 0.000 1.230 182 F HN -0.360 nan 8.300 nan 0.000 0.450 183 I N 3.427 124.331 120.570 0.558 0.000 2.418 183 I HA 0.496 4.666 4.170 0.000 0.000 0.287 183 I C -0.636 175.726 176.117 0.408 0.000 1.008 183 I CA -0.817 60.704 61.300 0.368 0.000 1.104 183 I CB 1.640 39.780 38.000 0.234 0.000 1.264 183 I HN 0.284 nan 8.210 nan 0.000 0.438 187 D N 3.758 124.146 120.400 -0.019 0.000 2.390 187 D HA 0.425 5.065 4.640 0.000 0.000 0.249 187 D C 0.634 176.913 176.300 -0.035 0.000 1.144 187 D CA 0.202 54.182 54.000 -0.032 0.000 0.880 187 D CB 0.921 41.698 40.800 -0.039 0.000 1.182 187 D HN 0.668 nan 8.370 nan 0.000 0.451 188 Q N 1.304 121.081 119.800 -0.038 0.000 2.217 188 Q HA 0.141 4.481 4.340 0.000 0.000 0.340 188 Q C 0.532 176.507 176.000 -0.042 0.000 0.893 188 Q CA -0.349 55.432 55.803 -0.036 0.000 1.142 188 Q CB 0.212 28.928 28.738 -0.036 0.000 1.288 188 Q HN 0.465 nan 8.270 nan 0.000 0.426 189 T N -2.858 111.663 114.554 -0.055 0.000 3.043 189 T HA 0.226 4.576 4.350 0.000 0.000 0.263 189 T C 1.011 175.658 174.700 -0.088 0.000 1.094 189 T CA 0.476 62.526 62.100 -0.083 0.000 1.127 189 T CB 0.155 68.963 68.868 -0.100 0.000 0.905 189 T HN 0.380 nan 8.240 nan 0.000 0.490 190 A N 1.376 124.160 122.820 -0.059 0.000 2.328 190 A HA 0.783 5.103 4.320 0.000 0.000 0.284 190 A C 0.116 177.687 177.584 -0.020 0.000 1.160 190 A CA -0.770 51.236 52.037 -0.050 0.000 0.818 190 A CB 0.446 19.428 19.000 -0.030 0.000 1.087 190 A HN 0.479 nan 8.150 nan 0.000 0.504 194 I N 0.693 121.329 120.570 0.111 0.000 2.133 194 I HA -0.064 4.106 4.170 0.000 0.000 0.238 194 I C 0.907 177.102 176.117 0.130 0.000 1.074 194 I CA 1.624 62.930 61.300 0.010 0.000 1.342 194 I CB -0.484 37.492 38.000 -0.040 0.000 1.053 194 I HN 0.709 nan 8.210 nan 0.000 0.404 195 T N 1.063 115.702 114.554 0.142 0.000 2.824 195 T HA 0.552 4.902 4.350 0.000 0.000 0.280 195 T C 0.213 174.914 174.700 0.002 0.000 0.995 195 T CA -0.551 61.601 62.100 0.086 0.000 1.009 195 T CB 1.920 70.800 68.868 0.021 0.000 0.955 195 T HN 0.343 nan 8.240 nan 0.000 0.452 196 G N 2.066 110.835 108.800 -0.052 0.000 2.528 196 G HA2 0.426 4.386 3.960 0.000 0.000 0.289 196 G HA3 0.426 4.386 3.960 0.000 0.000 0.289 196 G C -1.667 173.038 174.900 -0.324 0.000 1.192 196 G CA -1.647 43.232 45.100 -0.367 0.000 0.921 196 G HN 0.385 nan 8.290 nan 0.000 0.512 197 P HA -0.151 nan 4.420 nan 0.000 0.216 197 P C 1.613 178.831 177.300 -0.137 0.000 1.150 197 P CA 1.027 63.981 63.100 -0.244 0.000 0.843 197 P CB 0.247 31.812 31.700 -0.226 0.000 0.787 198 N N -0.869 117.767 118.700 -0.106 0.000 2.106 198 N HA -0.080 4.660 4.740 0.000 0.000 0.188 198 N C 1.778 177.258 175.510 -0.051 0.000 1.029 198 N CA 1.048 54.061 53.050 -0.062 0.000 0.848 198 N CB -0.991 37.472 38.487 -0.039 0.000 1.007 198 N HN 0.025 nan 8.380 nan 0.000 0.423 199 V N 2.221 122.105 119.914 -0.050 0.000 2.295 199 V HA -0.172 3.948 4.120 0.000 0.000 0.246 199 V C 2.397 178.466 176.094 -0.042 0.000 1.049 199 V CA 1.155 63.434 62.300 -0.035 0.000 1.024 199 V CB -0.471 31.339 31.823 -0.022 0.000 0.648 199 V HN 0.190 nan 8.190 nan 0.000 0.447 200 I N 0.183 120.715 120.570 -0.063 0.000 2.151 200 I HA -0.350 3.820 4.170 0.000 0.000 0.243 200 I C 2.601 178.688 176.117 -0.050 0.000 1.080 200 I CA 2.202 63.466 61.300 -0.060 0.000 1.339 200 I CB -0.370 37.577 38.000 -0.088 0.000 1.039 200 I HN 0.309 nan 8.210 nan 0.000 0.409 201 K N 1.619 121.986 120.400 -0.055 0.000 2.026 201 K HA -0.145 4.175 4.320 0.000 0.000 0.208 201 K C 2.015 178.596 176.600 -0.032 0.000 1.048 201 K CA 1.890 58.150 56.287 -0.044 0.000 0.929 201 K CB -0.421 32.050 32.500 -0.047 0.000 0.713 201 K HN 0.258 nan 8.250 nan 0.000 0.439 202 A N -0.089 122.714 122.820 -0.029 0.000 2.070 202 A HA -0.027 4.293 4.320 0.000 0.000 0.220 202 A C 2.106 179.680 177.584 -0.018 0.000 1.159 202 A CA 1.631 53.656 52.037 -0.021 0.000 0.656 202 A CB -0.249 18.739 19.000 -0.019 0.000 0.800 202 A HN 0.182 nan 8.150 nan 0.000 0.453 203 V N -1.012 118.891 119.914 -0.019 0.000 2.788 203 V HA -0.049 4.071 4.120 0.000 0.000 0.241 203 V C 2.528 178.613 176.094 -0.015 0.000 1.083 203 V CA 1.957 64.248 62.300 -0.015 0.000 1.103 203 V CB 0.022 31.837 31.823 -0.013 0.000 0.800 203 V HN 0.741 nan 8.190 nan 0.000 0.476 204 T N -3.505 111.038 114.554 -0.019 0.000 2.990 204 T HA 0.318 4.668 4.350 0.000 0.000 0.250 204 T C 1.654 176.342 174.700 -0.020 0.000 1.041 204 T CA 1.079 63.168 62.100 -0.019 0.000 1.010 204 T CB 0.905 69.760 68.868 -0.021 0.000 1.003 204 T HN 0.861 nan 8.240 nan 0.000 0.499 205 G N 1.661 110.447 108.800 -0.023 0.000 2.245 205 G HA2 -0.280 3.680 3.960 0.000 0.000 0.264 205 G HA3 -0.280 3.680 3.960 0.000 0.000 0.264 205 G C -0.119 174.765 174.900 -0.028 0.000 0.985 205 G CA 0.248 45.334 45.100 -0.023 0.000 0.625 205 G HN 0.681 nan 8.290 nan 0.000 0.536 206 E N 1.149 121.330 120.200 -0.032 0.000 2.415 206 E HA 0.367 4.717 4.350 0.000 0.000 0.263 206 E C 0.070 176.642 176.600 -0.046 0.000 0.995 206 E CA 0.405 56.783 56.400 -0.038 0.000 0.915 206 E CB 0.469 30.144 29.700 -0.041 0.000 0.951 206 E HN 0.557 nan 8.360 nan 0.000 0.449 207 E N 2.752 122.925 120.200 -0.045 0.000 2.145 207 E HA 0.560 4.910 4.350 0.000 0.000 0.270 207 E C -0.775 175.792 176.600 -0.056 0.000 0.906 207 E CA -0.399 55.972 56.400 -0.049 0.000 0.761 207 E CB 1.576 31.253 29.700 -0.039 0.000 1.116 207 E HN 0.347 nan 8.360 nan 0.000 0.408 208 I N 1.757 122.285 120.570 -0.071 0.000 2.785 208 I HA 0.170 4.340 4.170 0.000 0.000 0.293 208 I C -0.655 175.407 176.117 -0.092 0.000 1.446 208 I CA -0.426 60.827 61.300 -0.079 0.000 1.028 208 I CB 1.800 39.746 38.000 -0.089 0.000 1.349 208 I HN 0.628 nan 8.210 nan 0.000 0.438 209 S N 4.805 120.460 115.700 -0.076 0.000 2.614 209 S HA 0.269 4.739 4.470 0.000 0.000 0.265 209 S C 0.624 175.173 174.600 -0.085 0.000 1.303 209 S CA -0.222 57.937 58.200 -0.068 0.000 1.000 209 S CB 1.570 64.745 63.200 -0.042 0.000 0.935 209 S HN 0.797 nan 8.310 nan 0.000 0.551 210 Q N 0.001 119.768 119.800 -0.055 0.000 2.119 210 Q HA -0.145 4.195 4.340 0.000 0.000 0.201 210 Q C 1.938 177.980 176.000 0.070 0.000 0.972 210 Q CA 1.624 57.427 55.803 0.000 0.000 0.847 210 Q CB -0.226 28.599 28.738 0.145 0.000 0.903 210 Q HN 0.900 nan 8.270 nan 0.000 0.433 211 E N 1.136 121.352 120.200 0.027 0.000 2.106 211 E HA -0.176 4.174 4.350 0.000 0.000 0.192 211 E C 1.073 177.655 176.600 -0.030 0.000 0.984 211 E CA 1.353 57.757 56.400 0.007 0.000 0.806 211 E CB 0.044 29.737 29.700 -0.011 0.000 0.750 211 E HN 0.228 nan 8.360 nan 0.000 0.458 212 D N -0.537 119.836 120.400 -0.046 0.000 2.234 212 D HA -0.064 4.576 4.640 0.000 0.000 0.205 212 D C 1.747 177.997 176.300 -0.083 0.000 0.962 212 D CA 0.410 54.371 54.000 -0.066 0.000 0.855 212 D CB 0.016 40.780 40.800 -0.060 0.000 0.951 212 D HN 0.228 nan 8.370 nan 0.000 0.500 213 L N -0.487 120.688 121.223 -0.080 0.000 2.127 213 L HA 0.231 4.571 4.340 0.000 0.000 0.203 213 L C 1.586 178.426 176.870 -0.051 0.000 1.080 213 L CA 1.552 56.339 54.840 -0.089 0.000 0.768 213 L CB 0.122 42.079 42.059 -0.169 0.000 0.924 213 L HN 0.038 nan 8.230 nan 0.000 0.444 214 G N -1.255 107.574 108.800 0.048 0.000 4.385 214 G HA2 0.331 4.291 3.960 0.000 0.000 0.283 214 G HA3 0.331 4.291 3.960 0.000 0.000 0.283 214 G C 0.532 175.496 174.900 0.106 0.000 1.020 214 G CA 0.156 45.346 45.100 0.150 0.000 0.790 214 G HN 0.570 nan 8.290 nan 0.000 0.420 215 G N 0.376 109.176 108.800 -0.000 0.000 2.684 215 G HA2 0.551 4.511 3.960 0.000 0.000 0.255 215 G HA3 0.551 4.511 3.960 0.000 0.000 0.255 215 G C 0.838 175.739 174.900 0.003 0.000 1.219 215 G CA 0.339 45.443 45.100 0.007 0.000 0.901 215 G HN 0.689 nan 8.290 nan 0.000 0.548 219 H N 0.800 119.825 119.070 -0.076 0.000 2.470 219 H HA 0.137 4.693 4.556 -0.000 0.000 0.289 219 H C 1.965 177.196 175.328 -0.162 0.000 1.033 219 H CA 1.270 57.245 56.048 -0.120 0.000 1.331 219 H CB 0.072 29.771 29.762 -0.105 0.000 1.414 219 H HN 0.408 nan 8.280 nan 0.000 0.545 220 N N 0.662 119.358 118.700 -0.008 0.000 2.331 220 N HA -0.113 4.627 4.740 0.000 0.000 0.180 220 N C 1.836 177.398 175.510 0.088 0.000 1.019 220 N CA 0.734 53.792 53.050 0.013 0.000 0.881 220 N CB 0.344 38.865 38.487 0.057 0.000 0.972 220 N HN 0.509 nan 8.380 nan 0.000 0.435 221 Q N 0.001 119.838 119.800 0.061 0.000 2.462 221 Q HA 0.040 4.380 4.340 0.000 0.000 0.224 221 Q C 1.594 177.731 176.000 0.228 0.000 0.911 221 Q CA 0.278 56.176 55.803 0.158 0.000 0.925 221 Q CB 0.519 29.285 28.738 0.048 0.000 1.063 221 Q HN -0.075 nan 8.270 nan 0.000 0.572 222 K N -0.900 119.553 120.400 0.088 0.000 2.216 222 K HA 0.214 4.534 4.320 0.000 0.000 0.207 222 K C 2.160 178.805 176.600 0.074 0.000 1.041 222 K CA 0.923 57.268 56.287 0.097 0.000 0.966 222 K CB -0.189 32.310 32.500 -0.002 0.000 0.955 222 K HN 0.154 nan 8.250 nan 0.000 0.468 223 S N -0.799 114.862 115.700 -0.064 0.000 2.368 223 S HA 0.038 4.508 4.470 0.000 0.000 0.225 223 S C 1.571 175.951 174.600 -0.367 0.000 1.030 223 S CA 1.417 59.562 58.200 -0.092 0.000 0.999 223 S CB -0.260 62.989 63.200 0.083 0.000 0.844 223 S HN 0.801 nan 8.310 nan 0.000 0.459 224 G N 1.178 109.476 108.800 -0.837 0.000 2.159 224 G HA2 -0.274 3.686 3.960 0.000 0.000 0.256 224 G HA3 -0.274 3.686 3.960 0.000 0.000 0.256 224 G C 0.669 175.158 174.900 -0.685 0.000 0.977 224 G CA 0.550 44.766 45.100 -1.473 0.000 0.652 224 G HN 0.452 nan 8.290 nan 0.000 0.531 225 N N 0.551 119.021 118.700 -0.383 0.000 2.354 225 N HA 0.285 5.025 4.740 0.000 0.000 0.179 225 N C 1.117 176.428 175.510 -0.333 0.000 1.021 225 N CA 1.343 54.228 53.050 -0.275 0.000 0.887 225 N CB 0.070 38.426 38.487 -0.218 0.000 0.974 225 N HN 1.023 nan 8.380 nan 0.000 0.437 226 A N -0.936 121.664 122.820 -0.366 0.000 2.413 226 A HA 0.602 4.922 4.320 0.000 0.000 0.307 226 A C -0.331 176.974 177.584 -0.465 0.000 1.087 226 A CA -0.539 51.320 52.037 -0.296 0.000 0.750 226 A CB 0.857 19.821 19.000 -0.060 0.000 1.296 226 A HN 0.187 nan 8.150 nan 0.000 0.423 227 H N -0.229 118.801 119.070 -0.067 0.000 2.681 227 H HA 0.412 4.968 4.556 -0.000 0.000 0.268 227 H C -0.908 174.002 175.328 -0.698 0.000 0.967 227 H CA 0.766 56.599 56.048 -0.358 0.000 1.233 227 H CB 0.427 30.031 29.762 -0.264 0.000 1.445 227 H HN 0.515 nan 8.280 nan 0.000 0.494 228 F N 0.081 120.107 119.950 0.127 0.000 2.613 228 F HA 0.376 4.903 4.527 0.000 0.000 0.310 228 F C -1.161 174.688 175.800 0.081 0.000 1.085 228 F CA -1.223 56.816 58.000 0.065 0.000 0.945 228 F CB 2.147 41.163 39.000 0.026 0.000 1.298 228 F HN -0.221 nan 8.300 nan 0.000 0.455 229 L N 2.641 124.038 121.223 0.289 0.000 2.316 229 L HA 0.870 5.210 4.340 0.000 0.000 0.280 229 L C -0.709 176.244 176.870 0.139 0.000 1.006 229 L CA -0.441 54.505 54.840 0.175 0.000 0.836 229 L CB 0.824 42.961 42.059 0.129 0.000 1.221 229 L HN 0.697 nan 8.230 nan 0.000 0.418 230 A N 3.148 126.019 122.820 0.086 0.000 2.312 230 A HA 0.398 4.718 4.320 0.000 0.000 0.326 230 A C 0.447 178.043 177.584 0.020 0.000 1.172 230 A CA -0.408 51.657 52.037 0.047 0.000 0.821 230 A CB 0.794 19.808 19.000 0.025 0.000 1.166 230 A HN 0.828 nan 8.150 nan 0.000 0.493 231 D N 0.273 120.680 120.400 0.012 0.000 2.277 231 D HA 0.012 4.652 4.640 0.000 0.000 0.208 231 D C 0.328 176.619 176.300 -0.015 0.000 0.962 231 D CA 1.615 55.613 54.000 -0.003 0.000 0.865 231 D CB 0.099 40.899 40.800 -0.001 0.000 0.939 231 D HN 0.758 nan 8.370 nan 0.000 0.510 232 N N -1.931 116.758 118.700 -0.018 0.000 3.179 232 N HA 0.114 4.854 4.740 0.000 0.000 0.250 232 N C -0.433 175.056 175.510 -0.034 0.000 1.507 232 N CA -0.609 52.424 53.050 -0.029 0.000 0.883 232 N CB 0.483 38.951 38.487 -0.030 0.000 1.435 232 N HN -0.385 nan 8.380 nan 0.000 0.532 233 D N 0.047 120.420 120.400 -0.045 0.000 2.117 233 D HA -0.088 4.552 4.640 0.000 0.000 0.198 233 D C 0.970 177.238 176.300 -0.054 0.000 0.982 233 D CA 1.366 55.333 54.000 -0.055 0.000 0.828 233 D CB -0.032 40.727 40.800 -0.068 0.000 0.967 233 D HN 0.688 nan 8.370 nan 0.000 0.464 234 E N 0.713 120.883 120.200 -0.050 0.000 2.070 234 E HA -0.174 4.176 4.350 0.000 0.000 0.197 234 E C 2.026 178.602 176.600 -0.040 0.000 1.004 234 E CA 0.967 57.339 56.400 -0.047 0.000 0.805 234 E CB 0.076 29.751 29.700 -0.042 0.000 0.744 234 E HN 0.236 nan 8.360 nan 0.000 0.451 235 K N 0.588 120.969 120.400 -0.030 0.000 2.057 235 K HA -0.051 4.269 4.320 0.000 0.000 0.207 235 K C 1.267 177.850 176.600 -0.027 0.000 1.049 235 K CA 0.633 56.908 56.287 -0.021 0.000 0.931 235 K CB -0.207 32.289 32.500 -0.007 0.000 0.714 235 K HN 0.052 nan 8.250 nan 0.000 0.440 239 L N 1.924 123.111 121.223 -0.060 0.000 2.042 239 L HA -0.009 4.331 4.340 0.000 0.000 0.210 239 L C 2.502 179.278 176.870 -0.156 0.000 1.076 239 L CA 1.978 56.783 54.840 -0.059 0.000 0.749 239 L CB -0.486 41.511 42.059 -0.104 0.000 0.893 239 L HN 0.376 nan 8.230 nan 0.000 0.432 240 V N -0.246 119.567 119.914 -0.168 0.000 2.307 240 V HA -0.281 3.839 4.120 0.000 0.000 0.245 240 V C 2.550 178.530 176.094 -0.191 0.000 1.045 240 V CA 1.673 63.861 62.300 -0.187 0.000 1.024 240 V CB -0.543 31.197 31.823 -0.137 0.000 0.651 240 V HN 0.437 nan 8.190 nan 0.000 0.449 241 R N 0.189 120.593 120.500 -0.161 0.000 2.091 241 R HA -0.185 4.155 4.340 0.000 0.000 0.238 241 R C 2.486 178.647 176.300 -0.232 0.000 1.136 241 R CA 2.025 58.026 56.100 -0.165 0.000 0.959 241 R CB -0.754 29.469 30.300 -0.129 0.000 0.856 241 R HN 0.713 nan 8.270 nan 0.000 0.437 242 T N -0.150 114.240 114.554 -0.273 0.000 2.896 242 T HA -0.065 4.285 4.350 0.000 0.000 0.263 242 T C 1.875 176.222 174.700 -0.588 0.000 1.050 242 T CA 0.698 62.552 62.100 -0.410 0.000 1.140 242 T CB -0.099 68.555 68.868 -0.358 0.000 0.877 242 T HN 0.123 nan 8.240 nan 0.000 0.457 243 L N 1.187 122.060 121.223 -0.584 0.000 2.012 243 L HA 0.129 4.469 4.340 0.000 0.000 0.210 243 L C 2.392 179.031 176.870 -0.384 0.000 1.073 243 L CA 1.714 56.236 54.840 -0.530 0.000 0.748 243 L CB -0.949 40.853 42.059 -0.428 0.000 0.891 243 L HN 0.350 nan 8.230 nan 0.000 0.431 244 L N -0.320 120.725 121.223 -0.297 0.000 2.187 244 L HA -0.200 4.140 4.340 0.000 0.000 0.213 244 L C 2.592 179.318 176.870 -0.240 0.000 1.100 244 L CA 1.343 56.050 54.840 -0.221 0.000 0.765 244 L CB -0.730 41.232 42.059 -0.162 0.000 0.904 244 L HN 0.587 nan 8.230 nan 0.000 0.437 245 S N -1.481 114.018 115.700 -0.336 0.000 2.481 245 S HA -0.153 4.317 4.470 0.000 0.000 0.231 245 S C 1.659 175.983 174.600 -0.460 0.000 0.996 245 S CA 0.581 58.545 58.200 -0.393 0.000 0.942 245 S CB -0.416 62.491 63.200 -0.488 0.000 0.768 245 S HN 0.433 nan 8.310 nan 0.000 0.520 246 Y N 1.381 121.474 120.300 -0.344 0.000 2.517 246 Y HA 0.479 5.029 4.550 0.000 0.000 0.281 246 Y C 0.883 176.641 175.900 -0.237 0.000 1.125 246 Y CA -0.270 57.632 58.100 -0.330 0.000 1.283 246 Y CB 0.045 38.109 38.460 -0.659 0.000 1.042 246 Y HN 0.215 nan 8.280 nan 0.000 0.547 247 L N 2.003 123.166 121.223 -0.100 0.000 2.334 247 L HA 0.419 4.759 4.340 0.000 0.000 0.272 247 L C -2.213 174.634 176.870 -0.039 0.000 1.020 247 L CA -2.324 52.487 54.840 -0.049 0.000 0.812 247 L CB 1.407 43.424 42.059 -0.070 0.000 1.264 247 L HN -0.213 nan 8.230 nan 0.000 0.439 248 P HA 0.158 nan 4.420 nan 0.000 0.275 248 P C -0.074 177.217 177.300 -0.014 0.000 1.266 248 P CA -0.417 62.692 63.100 0.015 0.000 0.793 248 P CB 0.980 32.730 31.700 0.084 0.000 1.074 249 S N -0.603 115.107 115.700 0.017 0.000 2.446 249 S HA -0.008 4.462 4.470 0.000 0.000 0.225 249 S C 0.823 175.459 174.600 0.059 0.000 1.016 249 S CA 0.826 59.037 58.200 0.018 0.000 0.943 249 S CB -0.600 62.615 63.200 0.025 0.000 0.786 249 S HN 0.749 nan 8.310 nan 0.000 0.508 250 N N 0.000 118.771 118.700 0.118 0.000 3.106 250 N HA 0.190 4.930 4.740 0.000 0.000 0.253 250 N C -0.417 175.270 175.510 0.296 0.000 1.506 250 N CA -0.652 52.530 53.050 0.220 0.000 0.876 250 N CB 0.050 38.623 38.487 0.144 0.000 1.452 250 N HN -0.087 nan 8.380 nan 0.000 0.542 251 N N -1.118 117.736 118.700 0.257 0.000 2.515 251 N HA 0.044 4.784 4.740 0.000 0.000 0.185 251 N C 0.495 176.022 175.510 0.028 0.000 1.109 251 N CA 0.798 53.886 53.050 0.064 0.000 0.903 251 N CB -0.283 38.081 38.487 -0.205 0.000 0.969 251 N HN 0.661 nan 8.380 nan 0.000 0.450 252 A N -0.623 122.230 122.820 0.055 0.000 2.379 252 A HA 0.216 4.536 4.320 0.000 0.000 0.236 252 A C 0.054 177.662 177.584 0.041 0.000 1.272 252 A CA -0.317 51.741 52.037 0.034 0.000 0.886 252 A CB -0.060 18.960 19.000 0.033 0.000 0.962 252 A HN 0.332 nan 8.150 nan 0.000 0.504 253 E N 0.527 120.763 120.200 0.060 0.000 2.288 253 E HA 0.335 4.685 4.350 0.000 0.000 0.268 253 E C -0.965 175.669 176.600 0.057 0.000 0.885 253 E CA -1.009 55.422 56.400 0.053 0.000 0.767 253 E CB 1.156 30.889 29.700 0.055 0.000 1.220 253 E HN 0.176 nan 8.360 nan 0.000 0.427 254 E N 2.268 122.494 120.200 0.044 0.000 2.415 254 E HA 0.121 4.471 4.350 0.000 0.000 0.262 254 E C -2.179 174.454 176.600 0.054 0.000 1.038 254 E CA -1.789 54.639 56.400 0.047 0.000 0.921 254 E CB -0.160 29.562 29.700 0.037 0.000 0.950 254 E HN 0.214 nan 8.360 nan 0.000 0.438 255 P HA 0.098 nan 4.420 nan 0.000 0.270 255 P C -2.334 174.991 177.300 0.041 0.000 1.223 255 P CA -0.907 62.232 63.100 0.065 0.000 0.785 255 P CB -0.401 31.362 31.700 0.104 0.000 0.923 256 P HA 0.070 nan 4.420 nan 0.000 0.274 256 P C -0.852 176.449 177.300 0.002 0.000 1.237 256 P CA 0.049 63.146 63.100 -0.006 0.000 0.793 256 P CB 0.449 32.123 31.700 -0.043 0.000 0.977 257 V N 1.926 121.839 119.914 -0.000 0.000 2.394 257 V HA 0.342 4.462 4.120 0.000 0.000 0.282 257 V C 0.325 176.413 176.094 -0.010 0.000 1.031 257 V CA -0.104 62.201 62.300 0.009 0.000 0.881 257 V CB 0.685 32.518 31.823 0.017 0.000 0.982 257 V HN 0.543 nan 8.190 nan 0.000 0.451 258 E N 2.956 123.151 120.200 -0.008 0.000 2.302 258 E HA 0.310 4.660 4.350 0.000 0.000 0.263 258 E C -1.112 175.501 176.600 0.021 0.000 0.897 258 E CA -0.512 55.873 56.400 -0.025 0.000 0.809 258 E CB 1.218 30.861 29.700 -0.095 0.000 1.270 258 E HN 0.762 nan 8.360 nan 0.000 0.410 259 D N 3.242 123.664 120.400 0.036 0.000 2.956 259 D HA -0.102 4.538 4.640 0.000 0.000 0.240 259 D C -2.504 173.896 176.300 0.167 0.000 1.141 259 D CA 0.081 54.136 54.000 0.093 0.000 0.820 259 D CB -0.211 40.639 40.800 0.082 0.000 0.988 259 D HN 0.173 nan 8.370 nan 0.000 0.417 260 P HA 0.157 nan 4.420 nan 0.000 0.267 260 P C -0.360 176.961 177.300 0.036 0.000 1.209 260 P CA -0.078 63.057 63.100 0.058 0.000 0.763 260 P CB 0.584 32.307 31.700 0.038 0.000 0.816 261 D N 2.313 122.643 120.400 -0.115 0.000 2.316 261 D HA 0.073 4.713 4.640 0.000 0.000 0.245 261 D C 0.867 177.122 176.300 -0.076 0.000 1.171 261 D CA -0.023 53.848 54.000 -0.216 0.000 0.856 261 D CB 0.583 41.043 40.800 -0.566 0.000 1.090 261 D HN 0.281 nan 8.370 nan 0.000 0.476 262 T N -0.355 114.186 114.554 -0.021 0.000 3.060 262 T HA 0.066 4.416 4.350 0.000 0.000 0.249 262 T C 1.043 175.741 174.700 -0.002 0.000 1.079 262 T CA -0.249 61.850 62.100 -0.003 0.000 1.013 262 T CB -0.179 68.696 68.868 0.012 0.000 0.975 262 T HN 0.302 nan 8.240 nan 0.000 0.518 263 S N 1.058 116.755 115.700 -0.006 0.000 2.572 263 S HA 0.348 4.818 4.470 0.000 0.000 0.279 263 S C 0.799 175.400 174.600 0.003 0.000 1.341 263 S CA -0.737 57.465 58.200 0.003 0.000 1.043 263 S CB 0.531 63.737 63.200 0.010 0.000 0.887 263 S HN 0.380 nan 8.310 nan 0.000 0.516 264 L N 0.212 121.439 121.223 0.006 0.000 2.590 264 L HA 0.356 4.696 4.340 0.000 0.000 0.227 264 L C 0.389 177.269 176.870 0.017 0.000 1.099 264 L CA -0.006 54.840 54.840 0.009 0.000 0.872 264 L CB -0.146 41.911 42.059 -0.003 0.000 1.088 264 L HN 0.563 nan 8.230 nan 0.000 0.479 265 E N 0.393 120.603 120.200 0.017 0.000 2.313 265 E HA 0.249 4.599 4.350 0.000 0.000 0.272 265 E C -0.313 176.304 176.600 0.029 0.000 1.038 265 E CA 0.064 56.475 56.400 0.018 0.000 0.863 265 E CB 1.103 30.811 29.700 0.012 0.000 1.060 265 E HN -0.125 nan 8.360 nan 0.000 0.402 266 T N 4.418 118.988 114.554 0.028 0.000 2.771 266 T HA 0.387 4.737 4.350 0.000 0.000 0.281 266 T C -2.285 172.422 174.700 0.012 0.000 0.982 266 T CA -1.613 60.507 62.100 0.034 0.000 0.978 266 T CB 1.007 69.900 68.868 0.042 0.000 0.930 266 T HN 0.322 nan 8.240 nan 0.000 0.447 267 P HA 0.144 nan 4.420 nan 0.000 0.269 267 P C 0.887 178.179 177.300 -0.014 0.000 1.209 267 P CA -0.225 62.879 63.100 0.005 0.000 0.776 267 P CB 1.001 32.709 31.700 0.015 0.000 0.876 268 E N 1.344 121.533 120.200 -0.019 0.000 2.097 268 E HA -0.218 4.132 4.350 0.000 0.000 0.196 268 E C 1.288 177.865 176.600 -0.038 0.000 1.000 268 E CA 1.300 57.680 56.400 -0.034 0.000 0.804 268 E CB -0.532 29.152 29.700 -0.026 0.000 0.740 268 E HN 0.487 nan 8.360 nan 0.000 0.454 269 D N 0.753 121.140 120.400 -0.022 0.000 2.585 269 D HA -0.241 4.399 4.640 0.000 0.000 0.190 269 D C 1.844 178.131 176.300 -0.022 0.000 1.057 269 D CA 0.918 54.908 54.000 -0.016 0.000 0.900 269 D CB -0.455 40.345 40.800 0.000 0.000 0.900 269 D HN 0.249 nan 8.370 nan 0.000 0.463 270 I N 0.092 120.645 120.570 -0.028 0.000 2.530 270 I HA -0.222 3.948 4.170 0.000 0.000 0.257 270 I C 1.825 177.899 176.117 -0.073 0.000 1.179 270 I CA 0.662 61.950 61.300 -0.020 0.000 1.440 270 I CB 0.107 38.100 38.000 -0.012 0.000 1.087 270 I HN 0.045 nan 8.210 nan 0.000 0.440 271 L N -0.118 121.041 121.223 -0.106 0.000 2.552 271 L HA -0.058 4.282 4.340 0.000 0.000 0.227 271 L C 0.828 177.658 176.870 -0.068 0.000 1.146 271 L CA 0.471 55.239 54.840 -0.121 0.000 0.858 271 L CB -0.385 41.603 42.059 -0.118 0.000 0.969 271 L HN 0.201 nan 8.230 nan 0.000 0.451 272 D N -0.625 119.748 120.400 -0.046 0.000 2.402 272 D HA 0.177 4.817 4.640 0.000 0.000 0.216 272 D C 1.806 178.084 176.300 -0.036 0.000 1.128 272 D CA 0.263 54.244 54.000 -0.033 0.000 0.833 272 D CB 0.877 41.665 40.800 -0.021 0.000 0.971 272 D HN 0.307 nan 8.370 nan 0.000 0.503 273 I N 0.089 120.628 120.570 -0.053 0.000 2.628 273 I HA -0.010 4.160 4.170 0.000 0.000 0.255 273 I C 0.921 176.904 176.117 -0.224 0.000 1.119 273 I CA 0.360 61.607 61.300 -0.089 0.000 1.448 273 I CB 0.348 38.307 38.000 -0.069 0.000 1.133 273 I HN -0.180 nan 8.210 nan 0.000 0.438 274 L N 3.688 124.737 121.223 -0.290 0.000 2.410 274 L HA 0.192 4.532 4.340 0.000 0.000 0.273 274 L C -2.013 174.789 176.870 -0.113 0.000 1.152 274 L CA -1.650 52.973 54.840 -0.361 0.000 0.855 274 L CB -0.492 41.425 42.059 -0.237 0.000 1.129 274 L HN -0.038 nan 8.230 nan 0.000 0.463 275 P HA 0.085 nan 4.420 nan 0.000 0.272 275 P C -0.124 177.189 177.300 0.021 0.000 1.223 275 P CA -0.421 62.690 63.100 0.018 0.000 0.784 275 P CB 1.107 32.843 31.700 0.061 0.000 0.923 276 D N -0.111 120.302 120.400 0.021 0.000 2.104 276 D HA -0.123 4.517 4.640 0.000 0.000 0.194 276 D C 0.797 177.118 176.300 0.036 0.000 0.994 276 D CA 1.366 55.381 54.000 0.024 0.000 0.830 276 D CB -0.472 40.340 40.800 0.020 0.000 0.959 276 D HN 0.379 nan 8.370 nan 0.000 0.452 277 N N 1.462 120.185 118.700 0.038 0.000 2.427 277 N HA -0.017 4.723 4.740 0.000 0.000 0.269 277 N C -1.848 173.696 175.510 0.058 0.000 1.235 277 N CA -1.054 52.023 53.050 0.045 0.000 0.934 277 N CB 1.497 40.008 38.487 0.040 0.000 1.121 277 N HN -0.027 nan 8.380 nan 0.000 0.480 278 P HA -0.019 nan 4.420 nan 0.000 0.234 278 P C -0.003 177.342 177.300 0.074 0.000 1.167 278 P CA 0.742 63.888 63.100 0.076 0.000 0.763 278 P CB 0.424 32.174 31.700 0.082 0.000 0.835 279 N N -0.703 118.035 118.700 0.062 0.000 2.280 279 N HA -0.002 4.738 4.740 0.000 0.000 0.192 279 N C 0.180 175.716 175.510 0.044 0.000 1.109 279 N CA 0.239 53.319 53.050 0.051 0.000 0.855 279 N CB 0.159 38.673 38.487 0.044 0.000 0.974 279 N HN 0.024 nan 8.380 nan 0.000 0.482 280 K N 0.086 120.522 120.400 0.059 0.000 2.130 280 K HA 0.626 4.946 4.320 0.000 0.000 0.268 280 K C 0.678 177.335 176.600 0.094 0.000 0.983 280 K CA -0.764 55.560 56.287 0.062 0.000 0.893 280 K CB 1.575 34.113 32.500 0.064 0.000 1.066 280 K HN 0.248 nan 8.250 nan 0.000 0.450 281 G N 0.429 109.261 108.800 0.053 0.000 2.537 281 G HA2 0.652 4.612 3.960 0.000 0.000 0.297 281 G HA3 0.652 4.612 3.960 0.000 0.000 0.297 281 G C -0.764 174.209 174.900 0.122 0.000 1.310 281 G CA -0.282 44.824 45.100 0.009 0.000 1.027 281 G HN 0.773 nan 8.290 nan 0.000 0.505 282 Y N -2.975 117.306 120.300 -0.033 0.000 2.750 282 Y HA 0.577 5.127 4.550 0.000 0.000 0.335 282 Y C -1.533 174.337 175.900 -0.050 0.000 1.252 282 Y CA -1.644 56.437 58.100 -0.032 0.000 1.064 282 Y CB 1.213 39.660 38.460 -0.022 0.000 1.321 282 Y HN 0.418 nan 8.280 nan 0.000 0.451 283 D N 1.048 121.496 120.400 0.081 0.000 2.347 283 D HA 0.149 4.789 4.640 0.000 0.000 0.235 283 D C 0.605 176.930 176.300 0.042 0.000 1.149 283 D CA -0.051 53.934 54.000 -0.025 0.000 0.850 283 D CB 1.991 42.789 40.800 -0.003 0.000 1.061 283 D HN 0.641 nan 8.370 nan 0.000 0.487 284 V N 5.466 125.312 119.914 -0.113 0.000 2.688 284 V HA -0.200 3.920 4.120 0.000 0.000 0.256 284 V C 2.054 178.032 176.094 -0.194 0.000 1.084 284 V CA 1.714 63.970 62.300 -0.074 0.000 1.103 284 V CB -0.269 31.440 31.823 -0.190 0.000 0.688 284 V HN 0.508 nan 8.190 nan 0.000 0.480 285 R N -0.240 120.147 120.500 -0.187 0.000 2.189 285 R HA -0.107 4.233 4.340 0.000 0.000 0.223 285 R C 1.831 178.035 176.300 -0.161 0.000 1.092 285 R CA 1.447 57.400 56.100 -0.244 0.000 0.989 285 R CB -0.309 29.913 30.300 -0.130 0.000 0.876 285 R HN 0.529 nan 8.270 nan 0.000 0.457 286 D N -0.061 120.298 120.400 -0.070 0.000 2.219 286 D HA -0.099 4.541 4.640 0.000 0.000 0.205 286 D C 1.775 178.044 176.300 -0.051 0.000 0.970 286 D CA 0.924 54.907 54.000 -0.029 0.000 0.851 286 D CB 0.116 40.930 40.800 0.023 0.000 0.943 286 D HN 0.040 nan 8.370 nan 0.000 0.488 287 V N 0.765 120.616 119.914 -0.106 0.000 2.346 287 V HA -0.129 3.991 4.120 0.000 0.000 0.244 287 V C 2.498 178.425 176.094 -0.278 0.000 1.037 287 V CA 0.714 62.934 62.300 -0.134 0.000 1.029 287 V CB -0.247 31.467 31.823 -0.183 0.000 0.663 287 V HN 0.109 nan 8.190 nan 0.000 0.454 288 I N 0.122 120.371 120.570 -0.534 0.000 2.118 288 I HA -0.321 3.849 4.170 0.000 0.000 0.241 288 I C 2.434 178.407 176.117 -0.241 0.000 1.070 288 I CA 1.879 62.821 61.300 -0.596 0.000 1.327 288 I CB -0.412 37.112 38.000 -0.793 0.000 1.034 288 I HN 0.237 nan 8.210 nan 0.000 0.405 289 K N 0.210 120.508 120.400 -0.170 0.000 2.362 289 K HA -0.077 4.243 4.320 0.000 0.000 0.200 289 K C 1.829 178.438 176.600 0.016 0.000 1.046 289 K CA 0.765 57.035 56.287 -0.028 0.000 0.952 289 K CB -0.060 32.445 32.500 0.008 0.000 0.753 289 K HN 0.277 nan 8.250 nan 0.000 0.466 290 R N -0.191 120.313 120.500 0.007 0.000 2.317 290 R HA 0.080 4.420 4.340 0.000 0.000 0.208 290 R C 1.107 177.452 176.300 0.074 0.000 0.914 290 R CA 0.060 56.187 56.100 0.045 0.000 1.060 290 R CB 0.607 30.936 30.300 0.047 0.000 1.015 290 R HN -0.024 nan 8.270 nan 0.000 0.498 291 V N -0.172 119.792 119.914 0.082 0.000 3.359 291 V HA 0.057 4.177 4.120 0.000 0.000 0.245 291 V C 0.607 176.776 176.094 0.124 0.000 1.247 291 V CA 0.144 62.525 62.300 0.136 0.000 1.145 291 V CB 1.254 33.216 31.823 0.232 0.000 0.906 291 V HN 0.038 nan 8.190 nan 0.000 0.464 292 V N -1.153 118.827 119.914 0.110 0.000 2.904 292 V HA 0.506 4.626 4.120 0.000 0.000 0.305 292 V C -0.216 175.930 176.094 0.086 0.000 1.067 292 V CA -0.945 61.429 62.300 0.124 0.000 1.044 292 V CB 0.830 32.752 31.823 0.165 0.000 1.050 292 V HN 0.249 nan 8.190 nan 0.000 0.475 293 D N 2.539 122.972 120.400 0.055 0.000 2.586 293 D HA 0.083 4.723 4.640 0.000 0.000 0.234 293 D C 0.843 177.139 176.300 -0.008 0.000 1.132 293 D CA 1.292 55.233 54.000 -0.099 0.000 0.860 293 D CB -0.343 40.388 40.800 -0.115 0.000 1.159 293 D HN 0.901 nan 8.370 nan 0.000 0.490 294 H N 1.244 120.370 119.070 0.093 0.000 3.010 294 H HA -0.204 4.352 4.556 0.000 0.000 0.272 294 H C 1.337 176.720 175.328 0.093 0.000 1.151 294 H CA 0.975 57.073 56.048 0.084 0.000 1.159 294 H CB -1.596 28.214 29.762 0.080 0.000 1.295 294 H HN 0.802 nan 8.280 nan 0.000 0.344 295 G N 0.410 109.315 108.800 0.174 0.000 2.233 295 G HA2 -0.341 3.619 3.960 0.000 0.000 0.270 295 G HA3 -0.341 3.619 3.960 0.000 0.000 0.270 295 G C 0.039 175.054 174.900 0.192 0.000 1.011 295 G CA 0.879 46.069 45.100 0.150 0.000 0.762 295 G HN 0.646 nan 8.290 nan 0.000 0.511 296 E N -0.803 119.545 120.200 0.247 0.000 2.174 296 E HA 0.593 4.943 4.350 0.000 0.000 0.282 296 E C -0.917 175.918 176.600 0.391 0.000 0.992 296 E CA -0.762 55.814 56.400 0.293 0.000 0.803 296 E CB 1.109 30.990 29.700 0.301 0.000 1.090 296 E HN 0.203 nan 8.360 nan 0.000 0.396 297 F N 4.134 124.193 119.950 0.183 0.000 2.557 297 F HA 0.375 4.902 4.527 -0.000 0.000 0.316 297 F C -1.840 174.091 175.800 0.218 0.000 1.141 297 F CA -1.487 56.613 58.000 0.166 0.000 0.922 297 F CB 0.864 39.907 39.000 0.072 0.000 1.194 297 F HN 0.358 nan 8.300 nan 0.000 0.443 298 F N 6.476 126.175 119.950 -0.418 0.000 2.308 298 F HA 0.394 4.921 4.527 -0.000 0.000 0.370 298 F C 0.012 175.379 175.800 -0.722 0.000 1.100 298 F CA -0.358 57.412 58.000 -0.383 0.000 1.108 298 F CB 0.402 39.341 39.000 -0.102 0.000 1.293 298 F HN 0.603 nan 8.300 nan 0.000 0.478 299 E N 4.050 123.641 120.200 -1.015 0.000 2.331 299 E HA 0.482 4.832 4.350 0.000 0.000 0.272 299 E C -1.323 174.894 176.600 -0.639 0.000 1.036 299 E CA -0.531 55.313 56.400 -0.927 0.000 0.864 299 E CB 1.253 30.587 29.700 -0.611 0.000 1.035 299 E HN 0.450 nan 8.360 nan 0.000 0.408 300 V N 4.554 124.114 119.914 -0.591 0.000 2.555 300 V HA 0.127 4.247 4.120 0.000 0.000 0.302 300 V C -0.135 175.650 176.094 -0.515 0.000 1.038 300 V CA -0.526 61.374 62.300 -0.667 0.000 0.887 300 V CB 1.479 32.944 31.823 -0.597 0.000 0.991 300 V HN 0.944 nan 8.190 nan 0.000 0.434 301 Q N 3.094 122.589 119.800 -0.509 0.000 2.439 301 Q HA -0.168 4.172 4.340 0.000 0.000 0.325 301 Q C -1.575 174.290 176.000 -0.225 0.000 1.372 301 Q CA 0.609 56.251 55.803 -0.269 0.000 0.909 301 Q CB -0.363 28.307 28.738 -0.112 0.000 1.167 301 Q HN 0.733 nan 8.270 nan 0.000 0.418 302 P HA -0.157 nan 4.420 nan 0.000 0.230 302 P C 0.160 177.194 177.300 -0.444 0.000 1.158 302 P CA 1.318 64.149 63.100 -0.447 0.000 0.769 302 P CB 0.085 31.403 31.700 -0.637 0.000 0.807 303 Y N -2.068 118.210 120.300 -0.037 0.000 2.449 303 Y HA 0.285 4.835 4.550 -0.000 0.000 0.254 303 Y C 0.975 176.910 175.900 0.059 0.000 1.140 303 Y CA -0.492 57.606 58.100 -0.004 0.000 1.272 303 Y CB -0.161 38.294 38.460 -0.007 0.000 1.114 303 Y HN -0.166 nan 8.280 nan 0.000 0.525 304 F N 0.876 120.822 119.950 -0.007 0.000 2.469 304 F HA 0.660 5.187 4.527 -0.000 0.000 0.332 304 F C 0.518 176.283 175.800 -0.058 0.000 1.103 304 F CA -1.720 56.261 58.000 -0.031 0.000 0.979 304 F CB 1.105 40.069 39.000 -0.059 0.000 1.137 304 F HN -0.056 nan 8.300 nan 0.000 0.463 305 A N 4.788 127.195 122.820 -0.688 0.000 2.203 305 A HA -0.280 4.040 4.320 0.000 0.000 0.279 305 A C 0.960 178.366 177.584 -0.298 0.000 1.396 305 A CA 1.242 52.916 52.037 -0.605 0.000 0.747 305 A CB -1.889 16.600 19.000 -0.853 0.000 1.151 305 A HN 0.930 nan 8.150 nan 0.000 0.345 306 K N 0.447 120.725 120.400 -0.204 0.000 2.486 306 K HA -0.088 4.232 4.320 0.000 0.000 0.194 306 K C 1.660 178.174 176.600 -0.142 0.000 1.033 306 K CA 0.784 56.984 56.287 -0.145 0.000 1.004 306 K CB -0.076 32.361 32.500 -0.106 0.000 0.798 306 K HN 0.943 nan 8.250 nan 0.000 0.495 307 N N 0.861 119.468 118.700 -0.155 0.000 2.550 307 N HA -0.095 4.645 4.740 0.000 0.000 0.186 307 N C 0.438 175.865 175.510 -0.137 0.000 1.110 307 N CA 0.606 53.569 53.050 -0.145 0.000 0.912 307 N CB 0.259 38.662 38.487 -0.140 0.000 0.968 307 N HN 0.185 nan 8.380 nan 0.000 0.448 308 I N 0.561 121.053 120.570 -0.131 0.000 2.582 308 I HA 0.301 4.471 4.170 0.000 0.000 0.292 308 I C -1.316 174.746 176.117 -0.092 0.000 1.066 308 I CA -0.927 60.315 61.300 -0.098 0.000 1.053 308 I CB 2.598 40.556 38.000 -0.070 0.000 1.241 308 I HN -0.309 nan 8.210 nan 0.000 0.421 309 V N 7.703 127.577 119.914 -0.067 0.000 2.417 309 V HA 0.530 4.650 4.120 0.000 0.000 0.291 309 V C -0.173 175.919 176.094 -0.003 0.000 1.024 309 V CA -0.440 61.837 62.300 -0.039 0.000 0.861 309 V CB 1.590 33.391 31.823 -0.037 0.000 0.985 309 V HN 0.555 nan 8.190 nan 0.000 0.436 310 I N 2.045 122.574 120.570 -0.068 0.000 2.892 310 I HA 1.108 5.278 4.170 0.000 0.000 0.306 310 I C 0.145 176.103 176.117 -0.264 0.000 1.078 310 I CA -0.519 60.652 61.300 -0.215 0.000 1.032 310 I CB 2.440 40.050 38.000 -0.651 0.000 1.229 310 I HN 0.756 nan 8.210 nan 0.000 0.435 311 G N 2.418 111.061 108.800 -0.263 0.000 2.323 311 G HA2 0.407 4.367 3.960 0.000 0.000 0.291 311 G HA3 0.407 4.367 3.960 0.000 0.000 0.291 311 G C -2.059 172.771 174.900 -0.117 0.000 1.278 311 G CA -0.848 44.021 45.100 -0.385 0.000 0.860 311 G HN 0.527 nan 8.290 nan 0.000 0.504 312 F N 0.620 120.574 119.950 0.007 0.000 2.492 312 F HA 0.890 5.417 4.527 0.000 0.000 0.327 312 F C 0.793 176.559 175.800 -0.057 0.000 1.079 312 F CA 0.341 58.267 58.000 -0.124 0.000 0.967 312 F CB 2.329 40.843 39.000 -0.809 0.000 1.169 312 F HN 0.935 nan 8.300 nan 0.000 0.472 313 A N 2.185 125.178 122.820 0.289 0.000 2.515 313 A HA 0.901 5.221 4.320 0.000 0.000 0.299 313 A C -1.309 176.536 177.584 0.435 0.000 1.179 313 A CA -1.041 51.236 52.037 0.401 0.000 0.656 313 A CB 1.729 20.974 19.000 0.408 0.000 1.306 313 A HN 0.725 nan 8.150 nan 0.000 0.459 314 R N -0.316 120.403 120.500 0.365 0.000 2.750 314 R HA 0.692 5.032 4.340 0.000 0.000 0.281 314 R C -1.515 174.893 176.300 0.181 0.000 0.972 314 R CA -0.749 55.514 56.100 0.271 0.000 0.912 314 R CB 1.844 32.285 30.300 0.235 0.000 1.187 314 R HN 0.492 nan 8.270 nan 0.000 0.464 315 I N 2.501 123.158 120.570 0.145 0.000 2.439 315 I HA 0.142 4.312 4.170 0.000 0.000 0.285 315 I C 0.291 176.451 176.117 0.071 0.000 1.021 315 I CA -0.206 61.154 61.300 0.100 0.000 1.091 315 I CB 1.364 39.429 38.000 0.109 0.000 1.242 315 I HN 0.835 nan 8.210 nan 0.000 0.439 316 Q N 4.400 124.221 119.800 0.035 0.000 2.475 316 Q HA -0.253 4.087 4.340 0.000 0.000 0.280 316 Q C 1.068 177.091 176.000 0.039 0.000 1.234 316 Q CA 1.068 56.886 55.803 0.025 0.000 0.873 316 Q CB -0.858 27.898 28.738 0.030 0.000 1.256 316 Q HN 1.235 nan 8.270 nan 0.000 0.475 317 G N -1.053 107.777 108.800 0.049 0.000 2.205 317 G HA2 -0.332 3.628 3.960 0.000 0.000 0.261 317 G HA3 -0.332 3.628 3.960 0.000 0.000 0.261 317 G C -0.080 174.867 174.900 0.077 0.000 0.980 317 G CA 0.538 45.676 45.100 0.063 0.000 0.632 317 G HN 0.321 nan 8.290 nan 0.000 0.533 318 K N 1.287 121.743 120.400 0.093 0.000 2.159 318 K HA 0.487 4.807 4.320 0.000 0.000 0.266 318 K C 0.056 176.755 176.600 0.165 0.000 0.975 318 K CA -0.443 55.907 56.287 0.106 0.000 0.865 318 K CB 1.336 33.888 32.500 0.087 0.000 1.087 318 K HN 0.100 nan 8.250 nan 0.000 0.446 319 T N 1.901 116.573 114.554 0.198 0.000 2.916 319 T HA 0.162 4.512 4.350 0.000 0.000 0.303 319 T C 0.195 175.062 174.700 0.278 0.000 1.025 319 T CA -0.469 61.817 62.100 0.310 0.000 1.142 319 T CB 0.347 69.423 68.868 0.346 0.000 0.947 319 T HN 0.458 nan 8.240 nan 0.000 0.544 320 V N 0.465 120.570 119.914 0.317 0.000 2.876 320 V HA 0.991 5.111 4.120 0.000 0.000 0.312 320 V C 0.093 176.366 176.094 0.297 0.000 1.085 320 V CA -1.099 61.359 62.300 0.262 0.000 0.945 320 V CB 1.962 33.913 31.823 0.213 0.000 1.017 320 V HN 0.927 nan 8.190 nan 0.000 0.428 321 G N 2.399 111.324 108.800 0.208 0.000 2.371 321 G HA2 0.729 4.689 3.960 0.000 0.000 0.326 321 G HA3 0.729 4.689 3.960 0.000 0.000 0.326 321 G C -1.050 173.991 174.900 0.236 0.000 1.127 321 G CA -0.767 44.423 45.100 0.151 0.000 0.885 321 G HN 0.815 nan 8.290 nan 0.000 0.477 322 I N 1.374 122.148 120.570 0.339 0.000 2.406 322 I HA 0.337 4.507 4.170 0.000 0.000 0.290 322 I C -0.549 175.750 176.117 0.304 0.000 0.999 322 I CA -0.838 60.654 61.300 0.319 0.000 1.124 322 I CB 2.375 40.555 38.000 0.300 0.000 1.289 322 I HN 0.085 nan 8.210 nan 0.000 0.441 323 V N 5.432 125.504 119.914 0.262 0.000 2.487 323 V HA 0.841 4.961 4.120 0.000 0.000 0.298 323 V C -0.199 176.012 176.094 0.195 0.000 1.028 323 V CA -0.535 61.892 62.300 0.212 0.000 0.860 323 V CB 1.491 33.454 31.823 0.232 0.000 0.991 323 V HN 0.805 nan 8.190 nan 0.000 0.427 324 A N 3.829 126.717 122.820 0.114 0.000 2.429 324 A HA 0.639 4.959 4.320 0.000 0.000 0.289 324 A C -0.463 177.113 177.584 -0.013 0.000 1.043 324 A CA -0.766 51.320 52.037 0.082 0.000 0.722 324 A CB 0.738 19.741 19.000 0.005 0.000 1.243 324 A HN 0.859 nan 8.150 nan 0.000 0.415 325 N N 1.142 119.824 118.700 -0.031 0.000 2.441 325 N HA 0.299 5.039 4.740 0.000 0.000 0.251 325 N C -0.084 175.335 175.510 -0.151 0.000 1.242 325 N CA 0.365 53.358 53.050 -0.095 0.000 0.898 325 N CB 0.435 38.856 38.487 -0.111 0.000 1.100 325 N HN 0.649 nan 8.380 nan 0.000 0.443 326 Q N 2.573 122.265 119.800 -0.180 0.000 2.462 326 Q HA 0.340 4.680 4.340 0.000 0.000 0.247 326 Q C -2.334 173.499 176.000 -0.278 0.000 1.044 326 Q CA -2.069 53.590 55.803 -0.239 0.000 0.803 326 Q CB 1.493 30.120 28.738 -0.184 0.000 1.190 326 Q HN 0.339 nan 8.270 nan 0.000 0.507 327 P HA -0.092 nan 4.420 nan 0.000 0.226 327 P C 0.382 177.518 177.300 -0.274 0.000 1.153 327 P CA 0.978 63.862 63.100 -0.359 0.000 0.777 327 P CB 0.355 31.738 31.700 -0.529 0.000 0.794 328 S N -2.310 113.221 115.700 -0.282 0.000 2.562 328 S HA 0.076 4.546 4.470 0.000 0.000 0.221 328 S C 0.701 175.225 174.600 -0.127 0.000 0.975 328 S CA 0.054 58.151 58.200 -0.172 0.000 0.918 328 S CB -0.540 62.569 63.200 -0.152 0.000 0.772 328 S HN -0.105 nan 8.310 nan 0.000 0.531 329 V N 2.217 122.047 119.914 -0.140 0.000 2.483 329 V HA 0.393 4.513 4.120 0.000 0.000 0.297 329 V C 0.182 176.210 176.094 -0.109 0.000 1.027 329 V CA -1.020 61.213 62.300 -0.111 0.000 0.855 329 V CB 0.983 32.739 31.823 -0.112 0.000 0.995 329 V HN 0.457 nan 8.190 nan 0.000 0.424 330 L N 4.003 125.174 121.223 -0.087 0.000 3.742 330 L HA -0.329 4.011 4.340 0.000 0.000 0.431 330 L C 1.327 178.147 176.870 -0.083 0.000 1.220 330 L CA 0.583 55.377 54.840 -0.077 0.000 0.863 330 L CB -1.461 40.550 42.059 -0.081 0.000 1.751 330 L HN 1.264 nan 8.230 nan 0.000 0.922 331 A N -1.790 120.977 122.820 -0.088 0.000 2.829 331 A HA -0.051 4.269 4.320 0.000 0.000 0.267 331 A C 1.745 179.254 177.584 -0.124 0.000 1.370 331 A CA 1.562 53.544 52.037 -0.092 0.000 0.900 331 A CB -1.892 17.073 19.000 -0.058 0.000 1.044 331 A HN 2.261 nan 8.150 nan 0.000 0.691 332 G N -2.517 106.198 108.800 -0.143 0.000 2.179 332 G HA2 0.034 3.994 3.960 0.000 0.000 0.257 332 G HA3 0.034 3.994 3.960 0.000 0.000 0.257 332 G C 1.055 175.865 174.900 -0.151 0.000 1.010 332 G CA 1.001 46.005 45.100 -0.160 0.000 0.736 332 G HN 2.412 nan 8.290 nan 0.000 0.513 333 V N -1.877 117.958 119.914 -0.132 0.000 3.096 333 V HA 0.640 4.760 4.120 0.000 0.000 0.306 333 V C 1.219 177.212 176.094 -0.169 0.000 1.088 333 V CA -0.822 61.393 62.300 -0.142 0.000 1.129 333 V CB 1.099 32.869 31.823 -0.088 0.000 1.014 333 V HN 0.344 nan 8.190 nan 0.000 0.486 334 L N 3.643 124.705 121.223 -0.269 0.000 2.375 334 L HA 0.569 4.910 4.340 0.000 0.000 0.271 334 L C 0.062 176.907 176.870 -0.042 0.000 1.107 334 L CA -0.219 54.478 54.840 -0.239 0.000 0.806 334 L CB 1.172 42.913 42.059 -0.530 0.000 1.146 334 L HN 1.085 nan 8.230 nan 0.000 0.447 335 D N 1.240 121.663 120.400 0.038 0.000 2.895 335 D HA 0.247 4.887 4.640 0.000 0.000 0.320 335 D C 0.759 177.109 176.300 0.084 0.000 1.249 335 D CA -0.650 53.403 54.000 0.087 0.000 0.997 335 D CB 0.701 41.499 40.800 -0.002 0.000 1.430 335 D HN 0.276 nan 8.370 nan 0.000 0.558 336 I N 0.166 120.750 120.570 0.022 0.000 2.142 336 I HA -0.229 3.941 4.170 0.000 0.000 0.240 336 I C 1.469 177.579 176.117 -0.012 0.000 1.078 336 I CA 1.554 62.834 61.300 -0.033 0.000 1.343 336 I CB -0.173 37.699 38.000 -0.215 0.000 1.046 336 I HN 0.303 nan 8.210 nan 0.000 0.405 337 D N 0.296 120.656 120.400 -0.067 0.000 2.097 337 D HA -0.136 4.504 4.640 0.000 0.000 0.197 337 D C 2.404 178.636 176.300 -0.113 0.000 0.984 337 D CA 1.836 55.775 54.000 -0.102 0.000 0.826 337 D CB -0.287 40.266 40.800 -0.412 0.000 0.973 337 D HN 0.341 nan 8.370 nan 0.000 0.460 338 S N -0.089 115.529 115.700 -0.136 0.000 2.399 338 S HA -0.089 4.381 4.470 0.000 0.000 0.231 338 S C 2.135 176.752 174.600 0.029 0.000 1.022 338 S CA 1.066 59.213 58.200 -0.088 0.000 0.983 338 S CB -0.261 62.880 63.200 -0.098 0.000 0.803 338 S HN 0.013 nan 8.310 nan 0.000 0.480 339 S N 2.256 118.004 115.700 0.081 0.000 2.355 339 S HA -0.086 4.384 4.470 0.000 0.000 0.222 339 S C 1.595 176.288 174.600 0.156 0.000 1.031 339 S CA 1.331 59.616 58.200 0.142 0.000 0.993 339 S CB -0.573 62.746 63.200 0.199 0.000 0.859 339 S HN 0.542 nan 8.310 nan 0.000 0.453 340 D N 1.218 121.727 120.400 0.182 0.000 2.097 340 D HA -0.099 4.541 4.640 0.000 0.000 0.195 340 D C 1.904 178.323 176.300 0.198 0.000 0.989 340 D CA 1.029 55.151 54.000 0.203 0.000 0.827 340 D CB -0.309 40.644 40.800 0.255 0.000 0.966 340 D HN 0.377 nan 8.370 nan 0.000 0.456 341 K N 0.780 121.315 120.400 0.225 0.000 2.001 341 K HA -0.167 4.153 4.320 0.000 0.000 0.214 341 K C 2.011 178.709 176.600 0.164 0.000 1.050 341 K CA 1.743 58.159 56.287 0.215 0.000 0.934 341 K CB -0.127 32.484 32.500 0.184 0.000 0.718 341 K HN 0.040 nan 8.250 nan 0.000 0.443 342 A N 0.700 123.597 122.820 0.129 0.000 1.897 342 A HA 0.011 4.331 4.320 0.000 0.000 0.215 342 A C 2.323 179.988 177.584 0.135 0.000 1.181 342 A CA 1.625 53.745 52.037 0.139 0.000 0.620 342 A CB -0.769 18.295 19.000 0.106 0.000 0.821 342 A HN 0.526 nan 8.150 nan 0.000 0.443 343 A N -0.030 122.858 122.820 0.113 0.000 1.877 343 A HA -0.171 4.149 4.320 0.000 0.000 0.216 343 A C 2.225 179.866 177.584 0.096 0.000 1.186 343 A CA 1.909 53.993 52.037 0.078 0.000 0.620 343 A CB -0.461 18.598 19.000 0.097 0.000 0.822 343 A HN 0.527 nan 8.150 nan 0.000 0.443 344 R N -1.887 118.697 120.500 0.140 0.000 2.115 344 R HA -0.094 4.246 4.340 0.000 0.000 0.230 344 R C 1.832 178.257 176.300 0.208 0.000 1.111 344 R CA 1.571 57.758 56.100 0.146 0.000 0.976 344 R CB -0.451 29.933 30.300 0.141 0.000 0.870 344 R HN 0.469 nan 8.270 nan 0.000 0.445 345 F N 0.727 120.723 119.950 0.077 0.000 2.146 345 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 345 F C 1.708 177.588 175.800 0.134 0.000 1.096 345 F CA 1.235 59.303 58.000 0.113 0.000 1.275 345 F CB -0.169 38.872 39.000 0.067 0.000 1.008 345 F HN -0.032 nan 8.300 nan 0.000 0.480 346 I N 0.224 120.807 120.570 0.021 0.000 2.163 346 I HA -0.321 3.849 4.170 0.000 0.000 0.243 346 I C 2.489 178.553 176.117 -0.089 0.000 1.085 346 I CA 1.319 62.534 61.300 -0.140 0.000 1.347 346 I CB -0.435 37.399 38.000 -0.276 0.000 1.044 346 I HN 0.071 nan 8.210 nan 0.000 0.408 347 R N -0.062 120.433 120.500 -0.007 0.000 2.120 347 R HA -0.178 4.162 4.340 0.000 0.000 0.234 347 R C 2.321 178.633 176.300 0.020 0.000 1.123 347 R CA 1.423 57.530 56.100 0.012 0.000 0.975 347 R CB -0.663 29.668 30.300 0.051 0.000 0.866 347 R HN 0.302 nan 8.270 nan 0.000 0.446 348 F N 1.988 121.918 119.950 -0.032 0.000 2.075 348 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 348 F C 2.077 177.941 175.800 0.108 0.000 1.113 348 F CA 1.428 59.466 58.000 0.064 0.000 1.218 348 F CB -0.322 38.708 39.000 0.050 0.000 0.984 348 F HN -0.143 nan 8.300 nan 0.000 0.472 349 L N 0.095 121.306 121.223 -0.021 0.000 1.989 349 L HA -0.265 4.075 4.340 0.000 0.000 0.211 349 L C 2.266 179.073 176.870 -0.105 0.000 1.071 349 L CA 1.954 56.753 54.840 -0.069 0.000 0.749 349 L CB -0.993 40.969 42.059 -0.161 0.000 0.890 349 L HN 0.185 nan 8.230 nan 0.000 0.431 350 D N -0.024 120.305 120.400 -0.118 0.000 2.123 350 D HA -0.196 4.444 4.640 0.000 0.000 0.196 350 D C 2.132 178.313 176.300 -0.197 0.000 0.992 350 D CA 1.417 55.345 54.000 -0.120 0.000 0.833 350 D CB 0.084 40.827 40.800 -0.095 0.000 0.954 350 D HN 0.272 nan 8.370 nan 0.000 0.455 351 A N -0.801 121.831 122.820 -0.314 0.000 1.978 351 A HA -0.094 4.226 4.320 0.000 0.000 0.220 351 A C 1.415 178.531 177.584 -0.780 0.000 1.170 351 A CA 0.986 52.681 52.037 -0.570 0.000 0.636 351 A CB -0.653 17.891 19.000 -0.760 0.000 0.810 351 A HN 0.336 nan 8.150 nan 0.000 0.448 352 F N -0.144 119.629 119.950 -0.296 0.000 2.708 352 F HA 0.247 4.774 4.527 0.000 0.000 0.300 352 F C 0.440 176.163 175.800 -0.127 0.000 1.118 352 F CA -0.599 57.254 58.000 -0.246 0.000 1.307 352 F CB -0.096 38.646 39.000 -0.430 0.000 0.986 352 F HN 0.241 nan 8.300 nan 0.000 0.522 353 N N 0.686 119.372 118.700 -0.023 0.000 2.747 353 N HA -0.231 4.509 4.740 0.000 0.000 0.249 353 N C -0.389 175.150 175.510 0.047 0.000 1.107 353 N CA 0.630 53.682 53.050 0.004 0.000 0.707 353 N CB -1.811 36.686 38.487 0.017 0.000 1.054 353 N HN 0.343 nan 8.380 nan 0.000 0.555 354 I N 1.126 121.734 120.570 0.064 0.000 2.336 354 I HA 0.261 4.431 4.170 0.000 0.000 0.292 354 I C -1.943 174.218 176.117 0.074 0.000 0.991 354 I CA -1.940 59.427 61.300 0.111 0.000 1.227 354 I CB 1.283 39.404 38.000 0.201 0.000 1.366 354 I HN -0.278 nan 8.210 nan 0.000 0.466 355 P HA 0.086 nan 4.420 nan 0.000 0.266 355 P C -0.736 176.607 177.300 0.071 0.000 1.193 355 P CA 0.255 63.395 63.100 0.067 0.000 0.770 355 P CB 0.405 32.151 31.700 0.077 0.000 0.836 356 I N 2.761 123.366 120.570 0.057 0.000 2.339 356 I HA 0.297 4.467 4.170 0.000 0.000 0.290 356 I C -0.161 176.000 176.117 0.073 0.000 0.994 356 I CA -0.787 60.557 61.300 0.073 0.000 1.191 356 I CB 1.103 39.148 38.000 0.076 0.000 1.343 356 I HN 0.126 nan 8.210 nan 0.000 0.458 357 L N 6.886 128.157 121.223 0.081 0.000 2.298 357 L HA 0.560 4.900 4.340 0.000 0.000 0.284 357 L C -0.431 176.419 176.870 -0.033 0.000 1.013 357 L CA 0.303 55.140 54.840 -0.005 0.000 0.824 357 L CB 1.458 43.547 42.059 0.049 0.000 1.221 357 L HN 0.504 nan 8.230 nan 0.000 0.418 358 T N 5.451 119.897 114.554 -0.180 0.000 2.823 358 T HA 0.573 4.923 4.350 0.000 0.000 0.279 358 T C -0.817 173.628 174.700 -0.425 0.000 0.998 358 T CA 0.040 62.070 62.100 -0.117 0.000 0.994 358 T CB 0.624 69.482 68.868 -0.017 0.000 0.960 358 T HN 0.244 nan 8.240 nan 0.000 0.448 359 F N 1.949 121.857 119.950 -0.068 0.000 2.426 359 F HA 0.528 5.055 4.527 -0.000 0.000 0.348 359 F C -0.086 175.632 175.800 -0.137 0.000 1.124 359 F CA -0.996 56.922 58.000 -0.138 0.000 1.008 359 F CB 1.406 40.312 39.000 -0.155 0.000 1.139 359 F HN 0.184 nan 8.300 nan 0.000 0.452 360 V N 2.639 122.524 119.914 -0.048 0.000 2.370 360 V HA 0.480 4.600 4.120 0.000 0.000 0.283 360 V C -0.875 175.174 176.094 -0.076 0.000 1.023 360 V CA -0.463 61.797 62.300 -0.068 0.000 0.857 360 V CB 1.546 33.319 31.823 -0.084 0.000 0.985 360 V HN 0.677 nan 8.190 nan 0.000 0.443 361 D N 2.654 123.005 120.400 -0.082 0.000 2.634 361 D HA 0.227 4.867 4.640 0.000 0.000 0.236 361 D C -0.849 175.361 176.300 -0.150 0.000 1.323 361 D CA 0.009 53.949 54.000 -0.101 0.000 0.884 361 D CB 1.361 42.139 40.800 -0.037 0.000 1.496 361 D HN 0.601 nan 8.370 nan 0.000 0.525 362 T N 1.922 116.362 114.554 -0.189 0.000 2.971 362 T HA 0.514 4.864 4.350 0.000 0.000 0.304 362 T C -2.325 172.199 174.700 -0.294 0.000 1.038 362 T CA -1.640 60.336 62.100 -0.207 0.000 1.007 362 T CB 1.962 70.722 68.868 -0.180 0.000 1.055 362 T HN -0.044 nan 8.240 nan 0.000 0.451 363 P HA 0.328 nan 4.420 nan 0.000 0.245 363 P C 0.795 178.117 177.300 0.036 0.000 1.206 363 P CA 0.640 63.612 63.100 -0.214 0.000 0.781 363 P CB 0.123 31.792 31.700 -0.052 0.000 0.994 364 G N -0.989 107.778 108.800 -0.056 0.000 2.278 364 G HA2 -0.002 3.958 3.960 0.000 0.000 0.265 364 G HA3 -0.002 3.958 3.960 0.000 0.000 0.265 364 G C -1.750 173.043 174.900 -0.177 0.000 1.329 364 G CA -0.914 44.165 45.100 -0.034 0.000 1.017 364 G HN -0.044 nan 8.290 nan 0.000 0.472 365 Y N -0.336 119.990 120.300 0.043 0.000 2.301 365 Y HA 0.572 5.122 4.550 0.000 0.000 0.325 365 Y C 0.913 176.820 175.900 0.011 0.000 1.203 365 Y CA -0.375 57.740 58.100 0.024 0.000 1.255 365 Y CB 1.458 39.936 38.460 0.030 0.000 1.232 365 Y HN 0.524 nan 8.280 nan 0.000 0.501 366 L N 6.381 127.690 121.223 0.143 0.000 2.500 366 L HA 0.258 4.598 4.340 0.000 0.000 0.272 366 L C -2.500 174.414 176.870 0.073 0.000 1.149 366 L CA -1.703 53.179 54.840 0.069 0.000 0.897 366 L CB -0.415 41.663 42.059 0.032 0.000 1.178 366 L HN 0.372 nan 8.230 nan 0.000 0.473 367 P HA 0.632 nan 4.420 nan 0.000 0.275 367 P C -0.481 176.821 177.300 0.003 0.000 1.228 367 P CA -0.337 62.780 63.100 0.030 0.000 0.786 367 P CB 1.269 32.984 31.700 0.025 0.000 0.927 368 G N -0.183 108.608 108.800 -0.015 0.000 2.358 368 G HA2 0.163 4.123 3.960 0.000 0.000 0.301 368 G HA3 0.163 4.123 3.960 0.000 0.000 0.301 368 G C 0.141 174.993 174.900 -0.079 0.000 1.539 368 G CA -0.675 44.399 45.100 -0.042 0.000 0.893 368 G HN 0.226 nan 8.290 nan 0.000 0.636 369 V N 1.016 120.852 119.914 -0.130 0.000 2.379 369 V HA 0.024 4.144 4.120 0.000 0.000 0.245 369 V C 3.156 179.098 176.094 -0.253 0.000 1.044 369 V CA 3.035 65.172 62.300 -0.272 0.000 1.036 369 V CB -0.672 30.953 31.823 -0.329 0.000 0.664 369 V HN 1.231 nan 8.190 nan 0.000 0.453 370 A N -0.851 121.895 122.820 -0.123 0.000 2.019 370 A HA -0.207 4.113 4.320 0.000 0.000 0.219 370 A C 2.190 179.765 177.584 -0.014 0.000 1.164 370 A CA 1.303 53.316 52.037 -0.041 0.000 0.644 370 A CB -0.335 18.650 19.000 -0.025 0.000 0.805 370 A HN 0.523 nan 8.150 nan 0.000 0.449 371 Q N -0.519 119.265 119.800 -0.027 0.000 2.046 371 Q HA -0.185 4.155 4.340 0.000 0.000 0.200 371 Q C 2.019 178.030 176.000 0.018 0.000 0.975 371 Q CA 1.807 57.606 55.803 -0.006 0.000 0.836 371 Q CB -0.386 28.354 28.738 0.004 0.000 0.896 371 Q HN 0.740 nan 8.270 nan 0.000 0.428 372 E N 0.212 120.418 120.200 0.009 0.000 2.028 372 E HA -0.162 4.188 4.350 0.000 0.000 0.191 372 E C 1.859 178.569 176.600 0.184 0.000 0.988 372 E CA 1.301 57.739 56.400 0.064 0.000 0.799 372 E CB -0.179 29.542 29.700 0.036 0.000 0.755 372 E HN 0.361 nan 8.360 nan 0.000 0.447 373 H N -1.187 117.886 119.070 0.006 0.000 2.456 373 H HA 0.056 4.612 4.556 0.000 0.000 0.296 373 H C 1.735 177.072 175.328 0.015 0.000 1.079 373 H CA 1.278 57.332 56.048 0.009 0.000 1.322 373 H CB -0.607 29.157 29.762 0.004 0.000 1.388 373 H HN 0.294 nan 8.280 nan 0.000 0.538 374 G N -0.945 107.934 108.800 0.133 0.000 2.813 374 G HA2 0.209 4.169 3.960 0.000 0.000 0.209 374 G HA3 0.209 4.169 3.960 0.000 0.000 0.209 374 G C 0.859 175.810 174.900 0.085 0.000 1.150 374 G CA 0.425 45.565 45.100 0.066 0.000 0.785 374 G HN 0.677 nan 8.290 nan 0.000 0.535 375 G N 0.053 108.926 108.800 0.122 0.000 2.325 375 G HA2 -0.224 3.736 3.960 0.000 0.000 0.248 375 G HA3 -0.224 3.736 3.960 0.000 0.000 0.248 375 G C 0.848 175.914 174.900 0.276 0.000 1.108 375 G CA 0.198 45.413 45.100 0.191 0.000 0.881 375 G HN 0.489 nan 8.290 nan 0.000 0.494 376 I N 0.097 120.744 120.570 0.129 0.000 2.335 376 I HA -0.093 4.077 4.170 0.000 0.000 0.251 376 I C 2.436 178.590 176.117 0.061 0.000 1.129 376 I CA 1.643 63.000 61.300 0.096 0.000 1.402 376 I CB -0.240 37.774 38.000 0.024 0.000 1.069 376 I HN 0.539 nan 8.210 nan 0.000 0.424 377 I N 1.009 121.596 120.570 0.028 0.000 2.142 377 I HA -0.333 3.837 4.170 0.000 0.000 0.240 377 I C 2.724 178.844 176.117 0.005 0.000 1.078 377 I CA 1.977 63.267 61.300 -0.016 0.000 1.343 377 I CB -0.589 37.402 38.000 -0.014 0.000 1.046 377 I HN 0.302 nan 8.210 nan 0.000 0.405 378 R N 0.245 120.754 120.500 0.015 0.000 2.115 378 R HA -0.143 4.197 4.340 0.000 0.000 0.226 378 R C 2.044 178.284 176.300 -0.101 0.000 1.100 378 R CA 1.534 57.600 56.100 -0.057 0.000 0.980 378 R CB -0.845 29.390 30.300 -0.109 0.000 0.875 378 R HN 0.386 nan 8.270 nan 0.000 0.445 379 H N 0.778 119.860 119.070 0.021 0.000 2.333 379 H HA 0.080 4.636 4.556 -0.000 0.000 0.302 379 H C 2.350 177.721 175.328 0.071 0.000 1.075 379 H CA 1.845 57.920 56.048 0.045 0.000 1.348 379 H CB -0.469 29.327 29.762 0.056 0.000 1.393 379 H HN 0.460 nan 8.280 nan 0.000 0.509 380 G N 0.370 109.282 108.800 0.187 0.000 2.469 380 G HA2 -0.309 3.651 3.960 0.000 0.000 0.220 380 G HA3 -0.309 3.651 3.960 0.000 0.000 0.220 380 G C 1.897 176.885 174.900 0.148 0.000 1.136 380 G CA 0.997 46.202 45.100 0.176 0.000 0.759 380 G HN 0.533 nan 8.290 nan 0.000 0.562 381 A N 0.689 123.561 122.820 0.086 0.000 2.019 381 A HA 0.017 4.337 4.320 0.000 0.000 0.219 381 A C 2.268 179.927 177.584 0.124 0.000 1.164 381 A CA 1.919 54.011 52.037 0.092 0.000 0.644 381 A CB -0.333 18.698 19.000 0.052 0.000 0.805 381 A HN 0.413 nan 8.150 nan 0.000 0.449 382 K N -0.877 119.573 120.400 0.083 0.000 2.074 382 K HA -0.188 4.132 4.320 0.000 0.000 0.209 382 K C 1.833 178.526 176.600 0.155 0.000 1.048 382 K CA 1.565 57.898 56.287 0.078 0.000 0.926 382 K CB -0.386 32.139 32.500 0.042 0.000 0.713 382 K HN 0.404 nan 8.250 nan 0.000 0.444 383 L N 1.197 122.523 121.223 0.172 0.000 2.093 383 L HA -0.101 4.239 4.340 0.000 0.000 0.208 383 L C 1.801 178.834 176.870 0.272 0.000 1.085 383 L CA 1.445 56.403 54.840 0.198 0.000 0.755 383 L CB -0.202 41.993 42.059 0.227 0.000 0.904 383 L HN 0.139 nan 8.230 nan 0.000 0.435 384 L N -2.197 119.175 121.223 0.248 0.000 2.093 384 L HA -0.217 4.123 4.340 0.000 0.000 0.208 384 L C 2.427 179.420 176.870 0.206 0.000 1.085 384 L CA 1.218 56.191 54.840 0.222 0.000 0.755 384 L CB -0.763 41.392 42.059 0.160 0.000 0.904 384 L HN 0.300 nan 8.230 nan 0.000 0.435 385 Y N 0.817 121.169 120.300 0.087 0.000 2.163 385 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 385 Y C 2.531 178.461 175.900 0.050 0.000 1.136 385 Y CA 1.246 59.381 58.100 0.058 0.000 1.147 385 Y CB -0.297 38.186 38.460 0.038 0.000 0.987 385 Y HN 0.082 nan 8.280 nan 0.000 0.509 386 A N -0.518 122.481 122.820 0.297 0.000 1.883 386 A HA -0.231 4.089 4.320 0.000 0.000 0.217 386 A C 2.043 179.634 177.584 0.012 0.000 1.186 386 A CA 1.951 54.072 52.037 0.140 0.000 0.624 386 A CB -1.494 17.526 19.000 0.034 0.000 0.822 386 A HN 0.615 nan 8.150 nan 0.000 0.444 387 Y N 0.572 120.896 120.300 0.040 0.000 2.200 387 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 387 Y C 3.091 178.961 175.900 -0.050 0.000 1.137 387 Y CA 1.539 59.634 58.100 -0.008 0.000 1.163 387 Y CB -0.496 37.955 38.460 -0.016 0.000 0.988 387 Y HN 0.280 nan 8.280 nan 0.000 0.518 388 S N -0.482 115.272 115.700 0.091 0.000 2.382 388 S HA -0.223 4.247 4.470 0.000 0.000 0.228 388 S C 1.999 176.540 174.600 -0.097 0.000 1.027 388 S CA 1.481 59.663 58.200 -0.029 0.000 0.991 388 S CB -0.242 62.903 63.200 -0.092 0.000 0.823 388 S HN 0.547 nan 8.310 nan 0.000 0.469 389 E N 1.231 121.335 120.200 -0.159 0.000 2.112 389 E HA 0.069 4.419 4.350 0.000 0.000 0.190 389 E C 0.714 177.269 176.600 -0.075 0.000 0.979 389 E CA 0.275 56.572 56.400 -0.171 0.000 0.814 389 E CB -0.066 29.494 29.700 -0.233 0.000 0.762 389 E HN 0.431 nan 8.360 nan 0.000 0.460 390 A N 0.919 123.714 122.820 -0.041 0.000 2.546 390 A HA 0.041 4.361 4.320 0.000 0.000 0.243 390 A C 0.968 178.533 177.584 -0.032 0.000 1.063 390 A CA 0.757 52.774 52.037 -0.034 0.000 0.757 390 A CB 0.219 19.205 19.000 -0.023 0.000 0.991 390 A HN 0.391 nan 8.150 nan 0.000 0.503 391 T N -0.145 114.381 114.554 -0.047 0.000 2.985 391 T HA 0.272 4.622 4.350 0.000 0.000 0.254 391 T C 0.695 175.363 174.700 -0.054 0.000 1.021 391 T CA 0.486 62.552 62.100 -0.058 0.000 0.957 391 T CB -1.220 67.599 68.868 -0.083 0.000 1.047 391 T HN 1.269 nan 8.240 nan 0.000 0.511 392 V N 0.063 119.952 119.914 -0.042 0.000 3.332 392 V HA 0.364 4.484 4.120 0.000 0.000 0.305 392 V C -2.701 173.387 176.094 -0.010 0.000 1.114 392 V CA -2.056 60.228 62.300 -0.026 0.000 1.194 392 V CB -0.563 31.249 31.823 -0.018 0.000 1.027 392 V HN 0.025 nan 8.190 nan 0.000 0.492 393 P HA 0.239 nan 4.420 nan 0.000 0.264 393 P C -0.851 176.461 177.300 0.021 0.000 1.193 393 P CA 0.309 63.414 63.100 0.008 0.000 0.763 393 P CB 0.112 31.822 31.700 0.016 0.000 0.810 394 K N 3.713 124.122 120.400 0.016 0.000 2.559 394 K HA 0.440 4.760 4.320 0.000 0.000 0.249 394 K C -0.797 175.794 176.600 -0.016 0.000 0.958 394 K CA -0.523 55.779 56.287 0.025 0.000 0.901 394 K CB 1.148 33.675 32.500 0.044 0.000 1.124 394 K HN 0.328 nan 8.250 nan 0.000 0.437 395 I N 2.583 123.137 120.570 -0.027 0.000 2.406 395 I HA 0.320 4.490 4.170 0.000 0.000 0.290 395 I C -0.068 175.966 176.117 -0.138 0.000 0.999 395 I CA -0.564 60.695 61.300 -0.067 0.000 1.124 395 I CB 1.630 39.602 38.000 -0.047 0.000 1.289 395 I HN 0.451 nan 8.210 nan 0.000 0.441 396 T N 5.515 119.964 114.554 -0.174 0.000 2.841 396 T HA 0.571 4.921 4.350 0.000 0.000 0.285 396 T C -0.280 174.262 174.700 -0.263 0.000 0.991 396 T CA -0.471 61.484 62.100 -0.241 0.000 0.966 396 T CB 2.216 70.948 68.868 -0.226 0.000 0.962 396 T HN 0.214 nan 8.240 nan 0.000 0.438 397 V N 4.868 124.552 119.914 -0.383 0.000 2.409 397 V HA 0.475 4.595 4.120 0.000 0.000 0.291 397 V C -0.127 175.774 176.094 -0.321 0.000 1.020 397 V CA -0.848 61.240 62.300 -0.353 0.000 0.848 397 V CB 1.317 32.871 31.823 -0.448 0.000 0.990 397 V HN 0.806 nan 8.190 nan 0.000 0.430 398 I N 5.751 126.175 120.570 -0.243 0.000 2.304 398 I HA 0.279 4.449 4.170 0.000 0.000 0.291 398 I C 0.826 176.759 176.117 -0.306 0.000 1.018 398 I CA -0.171 61.014 61.300 -0.192 0.000 1.260 398 I CB 1.359 39.319 38.000 -0.067 0.000 1.390 398 I HN 0.571 nan 8.210 nan 0.000 0.475 399 L N 5.142 126.158 121.223 -0.345 0.000 2.200 399 L HA 0.198 4.538 4.340 0.000 0.000 0.200 399 L C 1.810 178.598 176.870 -0.137 0.000 1.072 399 L CA 0.863 55.405 54.840 -0.498 0.000 0.787 399 L CB -0.026 41.745 42.059 -0.479 0.000 0.957 399 L HN 0.671 nan 8.230 nan 0.000 0.459 400 R N -0.868 119.591 120.500 -0.068 0.000 2.899 400 R HA 0.262 4.602 4.340 0.000 0.000 0.095 400 R C -0.545 175.726 176.300 -0.049 0.000 0.792 400 R CA -0.609 55.489 56.100 -0.004 0.000 0.613 400 R CB 0.644 30.974 30.300 0.049 0.000 0.531 400 R HN -0.166 nan 8.270 nan 0.000 0.341 401 K N 0.624 120.946 120.400 -0.130 0.000 2.326 401 K HA 0.437 4.757 4.320 0.000 0.000 0.275 401 K C -1.104 175.337 176.600 -0.266 0.000 1.018 401 K CA 0.298 56.385 56.287 -0.334 0.000 0.962 401 K CB 1.509 33.587 32.500 -0.704 0.000 0.953 401 K HN 0.456 nan 8.250 nan 0.000 0.475 402 A N 3.540 126.248 122.820 -0.187 0.000 2.872 402 A HA 0.327 4.647 4.320 0.000 0.000 0.305 402 A C -1.725 175.999 177.584 0.233 0.000 1.171 402 A CA -0.751 51.306 52.037 0.034 0.000 0.782 402 A CB 0.319 19.430 19.000 0.185 0.000 1.329 402 A HN 0.492 nan 8.150 nan 0.000 0.432 403 Y N 0.827 121.177 120.300 0.082 0.000 2.352 403 Y HA 0.682 5.232 4.550 -0.000 0.000 0.339 403 Y C 1.099 177.069 175.900 0.116 0.000 0.992 403 Y CA -0.289 57.856 58.100 0.075 0.000 1.100 403 Y CB 1.384 39.879 38.460 0.059 0.000 1.192 403 Y HN 1.502 nan 8.280 nan 0.000 0.458 404 G N 1.726 110.696 108.800 0.284 0.000 2.562 404 G HA2 -0.223 3.737 3.960 0.000 0.000 0.250 404 G HA3 -0.223 3.737 3.960 0.000 0.000 0.250 404 G C 1.167 176.229 174.900 0.270 0.000 1.269 404 G CA 0.024 45.265 45.100 0.235 0.000 0.919 404 G HN 1.143 nan 8.290 nan 0.000 0.574 405 G N -0.221 108.744 108.800 0.275 0.000 2.485 405 G HA2 0.191 4.151 3.960 0.000 0.000 0.221 405 G HA3 0.191 4.151 3.960 0.000 0.000 0.221 405 G C 2.080 177.159 174.900 0.298 0.000 1.115 405 G CA 2.951 48.237 45.100 0.310 0.000 0.751 405 G HN 1.954 nan 8.290 nan 0.000 0.567 406 A N 0.061 123.002 122.820 0.202 0.000 1.969 406 A HA 0.016 4.336 4.320 0.000 0.000 0.218 406 A C 2.123 179.722 177.584 0.024 0.000 1.169 406 A CA 1.606 53.623 52.037 -0.033 0.000 0.635 406 A CB -0.578 18.294 19.000 -0.213 0.000 0.810 406 A HN 0.554 nan 8.150 nan 0.000 0.445 407 Y N 0.739 121.048 120.300 0.015 0.000 2.145 407 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 407 Y C 1.850 177.750 175.900 -0.001 0.000 1.145 407 Y CA 1.849 59.954 58.100 0.007 0.000 1.148 407 Y CB -0.375 38.122 38.460 0.061 0.000 0.981 407 Y HN 0.256 nan 8.280 nan 0.000 0.507 408 I N 0.810 121.247 120.570 -0.222 0.000 2.226 408 I HA -0.200 3.970 4.170 0.000 0.000 0.245 408 I C 1.982 177.960 176.117 -0.232 0.000 1.100 408 I CA 0.641 61.781 61.300 -0.266 0.000 1.374 408 I CB -0.993 36.999 38.000 -0.013 0.000 1.057 408 I HN 0.335 nan 8.210 nan 0.000 0.413 412 S N -0.344 114.986 115.700 -0.617 0.000 2.596 412 S HA 0.334 4.804 4.470 0.000 0.000 0.260 412 S C 1.581 175.877 174.600 -0.507 0.000 1.336 412 S CA 0.301 58.135 58.200 -0.609 0.000 0.993 412 S CB 1.876 64.600 63.200 -0.793 0.000 0.923 412 S HN 0.218 nan 8.310 nan 0.000 0.567 413 K N 0.603 120.642 120.400 -0.602 0.000 2.209 413 K HA -0.138 4.182 4.320 0.000 0.000 0.204 413 K C 1.717 178.060 176.600 -0.428 0.000 1.048 413 K CA 1.797 57.802 56.287 -0.471 0.000 0.940 413 K CB -0.558 31.693 32.500 -0.416 0.000 0.729 413 K HN 0.796 nan 8.250 nan 0.000 0.451 414 H N -0.164 118.799 119.070 -0.177 0.000 2.495 414 H HA 0.028 4.585 4.556 0.000 0.000 0.287 414 H C 1.126 176.383 175.328 -0.118 0.000 1.033 414 H CA 0.996 56.954 56.048 -0.151 0.000 1.307 414 H CB 0.099 29.748 29.762 -0.189 0.000 1.401 414 H HN 0.189 nan 8.280 nan 0.000 0.555 415 L N -0.195 120.975 121.223 -0.088 0.000 2.653 415 L HA 0.275 4.615 4.340 0.000 0.000 0.231 415 L C 1.047 177.880 176.870 -0.061 0.000 1.153 415 L CA 0.356 55.157 54.840 -0.064 0.000 0.933 415 L CB 0.363 42.373 42.059 -0.081 0.000 1.175 415 L HN 0.341 nan 8.230 nan 0.000 0.473 416 G N 0.310 109.061 108.800 -0.081 0.000 2.134 416 G HA2 -0.215 3.745 3.960 0.000 0.000 0.209 416 G HA3 -0.215 3.745 3.960 0.000 0.000 0.209 416 G C 0.437 175.298 174.900 -0.064 0.000 0.993 416 G CA -0.121 44.945 45.100 -0.057 0.000 0.669 416 G HN 0.479 nan 8.290 nan 0.000 0.519 417 A N 0.124 122.878 122.820 -0.111 0.000 2.561 417 A HA 0.465 4.785 4.320 0.000 0.000 0.234 417 A C 0.649 178.191 177.584 -0.070 0.000 1.055 417 A CA 0.813 52.788 52.037 -0.102 0.000 0.756 417 A CB 0.323 19.222 19.000 -0.167 0.000 0.986 417 A HN 0.379 nan 8.150 nan 0.000 0.505 421 L N 3.518 124.669 121.223 -0.120 0.000 2.346 421 L HA 0.993 5.333 4.340 0.000 0.000 0.274 421 L C 0.162 176.984 176.870 -0.081 0.000 1.007 421 L CA -0.709 54.049 54.840 -0.136 0.000 0.818 421 L CB 2.105 44.059 42.059 -0.174 0.000 1.284 421 L HN 0.798 nan 8.230 nan 0.000 0.424 422 A N 1.684 124.476 122.820 -0.048 0.000 2.343 422 A HA 0.678 4.998 4.320 0.000 0.000 0.316 422 A C -1.341 176.336 177.584 0.155 0.000 1.104 422 A CA -0.473 51.567 52.037 0.005 0.000 0.768 422 A CB 0.675 19.642 19.000 -0.055 0.000 1.213 422 A HN 0.562 nan 8.150 nan 0.000 0.456 423 W N 2.291 123.535 121.300 -0.093 0.000 2.112 423 W HA 0.363 5.023 4.660 0.000 0.000 0.349 423 W C -1.874 174.590 176.519 -0.093 0.000 1.289 423 W CA -1.329 55.971 57.345 -0.074 0.000 1.256 423 W CB -0.260 29.177 29.460 -0.040 0.000 1.148 423 W HN 0.520 nan 8.180 nan 0.000 0.590 424 P HA -0.154 nan 4.420 nan 0.000 0.225 424 P C 1.316 178.666 177.300 0.082 0.000 1.148 424 P CA 1.936 65.064 63.100 0.047 0.000 0.779 424 P CB 0.031 31.760 31.700 0.049 0.000 0.780 425 S N -1.445 114.345 115.700 0.150 0.000 2.561 425 S HA 0.198 4.668 4.470 0.000 0.000 0.225 425 S C 1.139 175.801 174.600 0.103 0.000 0.977 425 S CA -0.073 58.209 58.200 0.137 0.000 0.926 425 S CB -0.936 62.377 63.200 0.187 0.000 0.769 425 S HN 0.128 nan 8.310 nan 0.000 0.533 426 A N 1.486 124.356 122.820 0.083 0.000 2.531 426 A HA 0.380 4.700 4.320 0.000 0.000 0.236 426 A C 0.280 177.888 177.584 0.040 0.000 1.062 426 A CA -0.043 52.015 52.037 0.034 0.000 0.760 426 A CB 0.018 19.018 19.000 0.000 0.000 0.995 426 A HN 0.533 nan 8.150 nan 0.000 0.501 427 E N 1.959 122.197 120.200 0.063 0.000 2.373 427 E HA 0.498 4.848 4.350 0.000 0.000 0.251 427 E C -1.564 175.139 176.600 0.172 0.000 0.923 427 E CA -0.234 56.246 56.400 0.134 0.000 0.798 427 E CB 0.746 30.577 29.700 0.218 0.000 1.303 427 E HN 0.618 nan 8.360 nan 0.000 0.412 428 I N 3.216 123.834 120.570 0.080 0.000 2.354 428 I HA 0.697 4.867 4.170 0.000 0.000 0.292 428 I C -0.237 175.886 176.117 0.009 0.000 0.989 428 I CA -0.500 60.793 61.300 -0.012 0.000 1.188 428 I CB 1.784 39.667 38.000 -0.195 0.000 1.342 428 I HN 0.489 nan 8.210 nan 0.000 0.457 429 A N 5.123 127.976 122.820 0.054 0.000 2.549 429 A HA 0.641 4.961 4.320 0.000 0.000 0.297 429 A C -0.558 177.050 177.584 0.041 0.000 1.061 429 A CA -0.542 51.525 52.037 0.050 0.000 0.690 429 A CB 1.552 20.552 19.000 0.001 0.000 1.287 429 A HN 0.469 nan 8.150 nan 0.000 0.402 433 P HA -0.113 nan 4.420 nan 0.000 0.217 433 P C 1.498 178.695 177.300 -0.171 0.000 1.148 433 P CA 1.337 64.341 63.100 -0.160 0.000 0.828 433 P CB 0.478 32.208 31.700 0.051 0.000 0.783 434 E N -0.248 119.888 120.200 -0.106 0.000 2.031 434 E HA -0.150 4.200 4.350 0.000 0.000 0.193 434 E C 2.208 178.743 176.600 -0.107 0.000 0.994 434 E CA 1.653 58.011 56.400 -0.071 0.000 0.800 434 E CB -1.081 28.604 29.700 -0.024 0.000 0.752 434 E HN 0.154 nan 8.360 nan 0.000 0.447 435 G N 0.209 108.938 108.800 -0.119 0.000 2.422 435 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 435 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 435 G C 1.610 176.398 174.900 -0.186 0.000 1.140 435 G CA 0.817 45.846 45.100 -0.119 0.000 0.775 435 G HN 0.431 nan 8.290 nan 0.000 0.545 436 A N 1.208 123.854 122.820 -0.289 0.000 1.872 436 A HA 0.370 4.690 4.320 0.000 0.000 0.214 436 A C 2.806 180.091 177.584 -0.500 0.000 1.187 436 A CA 2.025 53.803 52.037 -0.431 0.000 0.614 436 A CB -0.801 17.821 19.000 -0.630 0.000 0.826 436 A HN 0.719 nan 8.150 nan 0.000 0.442 437 A N 0.239 122.777 122.820 -0.470 0.000 1.972 437 A HA -0.182 4.138 4.320 0.000 0.000 0.219 437 A C 1.860 179.414 177.584 -0.050 0.000 1.169 437 A CA 1.716 53.647 52.037 -0.178 0.000 0.635 437 A CB -0.619 18.397 19.000 0.026 0.000 0.810 437 A HN 0.534 nan 8.150 nan 0.000 0.446 438 N N -0.042 118.602 118.700 -0.093 0.000 2.244 438 N HA -0.068 4.672 4.740 0.000 0.000 0.183 438 N C 1.559 177.021 175.510 -0.080 0.000 1.016 438 N CA 1.387 54.406 53.050 -0.053 0.000 0.866 438 N CB -0.314 38.142 38.487 -0.052 0.000 0.980 438 N HN 0.605 nan 8.380 nan 0.000 0.430 439 I N 0.417 120.900 120.570 -0.145 0.000 2.296 439 I HA -0.082 4.088 4.170 0.000 0.000 0.242 439 I C 1.959 177.946 176.117 -0.217 0.000 1.087 439 I CA 0.540 61.746 61.300 -0.155 0.000 1.393 439 I CB -0.087 37.816 38.000 -0.162 0.000 1.093 439 I HN -0.055 nan 8.210 nan 0.000 0.421 440 I N 0.156 120.502 120.570 -0.373 0.000 2.226 440 I HA -0.267 3.903 4.170 0.000 0.000 0.245 440 I C 1.085 176.837 176.117 -0.607 0.000 1.100 440 I CA 1.694 62.633 61.300 -0.602 0.000 1.374 440 I CB -0.102 37.307 38.000 -0.985 0.000 1.057 440 I HN 0.117 nan 8.210 nan 0.000 0.413 441 F N -0.131 119.754 119.950 -0.108 0.000 2.750 441 F HA 0.153 4.680 4.527 0.000 0.000 0.297 441 F C 1.847 177.612 175.800 -0.059 0.000 1.138 441 F CA -0.262 57.693 58.000 -0.074 0.000 1.346 441 F CB -0.587 38.372 39.000 -0.068 0.000 0.965 441 F HN -0.297 nan 8.300 nan 0.000 0.514 442 K N 0.593 121.011 120.400 0.031 0.000 2.034 442 K HA -0.189 4.131 4.320 0.000 0.000 0.214 442 K C 2.422 179.039 176.600 0.029 0.000 1.051 442 K CA 1.774 58.069 56.287 0.013 0.000 0.931 442 K CB -0.265 32.219 32.500 -0.026 0.000 0.715 442 K HN 0.375 nan 8.250 nan 0.000 0.446 443 R N 0.207 120.725 120.500 0.030 0.000 2.080 443 R HA -0.123 4.217 4.340 0.000 0.000 0.236 443 R C 2.522 178.846 176.300 0.040 0.000 1.137 443 R CA 1.979 58.096 56.100 0.029 0.000 0.943 443 R CB -0.398 29.920 30.300 0.029 0.000 0.846 443 R HN 0.645 nan 8.270 nan 0.000 0.431 444 E N 0.564 120.805 120.200 0.069 0.000 2.072 444 E HA -0.142 4.208 4.350 0.000 0.000 0.190 444 E C 2.179 178.799 176.600 0.032 0.000 0.982 444 E CA 0.958 57.390 56.400 0.054 0.000 0.803 444 E CB -0.483 29.259 29.700 0.070 0.000 0.755 444 E HN 0.367 nan 8.360 nan 0.000 0.453 445 I N 1.508 122.106 120.570 0.046 0.000 2.202 445 I HA -0.231 3.939 4.170 0.000 0.000 0.242 445 I C 2.487 178.613 176.117 0.014 0.000 1.091 445 I CA 1.429 62.743 61.300 0.024 0.000 1.368 445 I CB -0.226 37.795 38.000 0.034 0.000 1.058 445 I HN 0.046 nan 8.210 nan 0.000 0.410 446 E N 0.664 120.874 120.200 0.016 0.000 2.107 446 E HA -0.117 4.233 4.350 0.000 0.000 0.191 446 E C 2.052 178.656 176.600 0.006 0.000 0.982 446 E CA 1.068 57.473 56.400 0.008 0.000 0.809 446 E CB -0.093 29.611 29.700 0.006 0.000 0.756 446 E HN 0.476 nan 8.360 nan 0.000 0.459 447 A N 1.040 123.865 122.820 0.009 0.000 2.238 447 A HA 0.048 4.368 4.320 0.000 0.000 0.208 447 A C 1.138 178.724 177.584 0.004 0.000 1.177 447 A CA -0.004 52.037 52.037 0.007 0.000 0.804 447 A CB 0.017 19.023 19.000 0.009 0.000 0.823 447 A HN 0.135 nan 8.150 nan 0.000 0.482 448 S N -0.093 115.609 115.700 0.003 0.000 2.592 448 S HA 0.256 4.726 4.470 0.000 0.000 0.271 448 S C 1.395 175.993 174.600 -0.002 0.000 1.326 448 S CA 0.219 58.418 58.200 -0.002 0.000 1.024 448 S CB 0.936 64.132 63.200 -0.006 0.000 0.921 448 S HN 0.610 nan 8.310 nan 0.000 0.527 449 S N 2.201 117.899 115.700 -0.004 0.000 2.489 449 S HA 0.077 4.547 4.470 0.000 0.000 0.228 449 S C 0.684 175.281 174.600 -0.004 0.000 0.995 449 S CA 0.200 58.398 58.200 -0.003 0.000 0.934 449 S CB -0.417 62.781 63.200 -0.004 0.000 0.771 449 S HN 0.737 nan 8.310 nan 0.000 0.522 450 N N 1.229 119.926 118.700 -0.006 0.000 2.711 450 N HA 0.348 5.088 4.740 0.000 0.000 0.263 450 N C -2.742 172.764 175.510 -0.006 0.000 1.667 450 N CA -1.916 51.130 53.050 -0.006 0.000 0.785 450 N CB 1.096 39.579 38.487 -0.006 0.000 1.231 450 N HN -0.076 nan 8.380 nan 0.000 0.503 451 P HA -0.130 nan 4.420 nan 0.000 0.218 451 P C 0.952 178.249 177.300 -0.005 0.000 1.146 451 P CA 1.204 64.301 63.100 -0.004 0.000 0.820 451 P CB 0.598 32.297 31.700 -0.001 0.000 0.778 452 E N -0.694 119.503 120.200 -0.004 0.000 2.051 452 E HA -0.110 4.240 4.350 0.000 0.000 0.189 452 E C 2.389 178.986 176.600 -0.006 0.000 0.979 452 E CA 1.503 57.901 56.400 -0.003 0.000 0.803 452 E CB -0.856 28.843 29.700 -0.001 0.000 0.761 452 E HN 0.330 nan 8.360 nan 0.000 0.451 453 E N 1.320 121.516 120.200 -0.007 0.000 2.058 453 E HA -0.181 4.169 4.350 0.000 0.000 0.194 453 E C 2.176 178.765 176.600 -0.019 0.000 0.997 453 E CA 1.999 58.393 56.400 -0.010 0.000 0.801 453 E CB -1.501 28.193 29.700 -0.010 0.000 0.746 453 E HN 0.285 nan 8.360 nan 0.000 0.450 454 T N -0.123 114.417 114.554 -0.023 0.000 2.684 454 T HA -0.187 4.163 4.350 0.000 0.000 0.267 454 T C 2.108 176.780 174.700 -0.048 0.000 1.036 454 T CA 1.465 63.541 62.100 -0.040 0.000 1.148 454 T CB -0.278 68.569 68.868 -0.034 0.000 0.863 454 T HN 0.509 nan 8.240 nan 0.000 0.436 455 R N 0.803 121.288 120.500 -0.025 0.000 2.073 455 R HA -0.128 4.212 4.340 0.000 0.000 0.234 455 R C 2.780 179.072 176.300 -0.013 0.000 1.134 455 R CA 1.548 57.640 56.100 -0.014 0.000 0.952 455 R CB -0.272 30.027 30.300 -0.002 0.000 0.850 455 R HN 0.168 nan 8.270 nan 0.000 0.433 456 R N 0.993 121.488 120.500 -0.009 0.000 2.083 456 R HA -0.096 4.244 4.340 0.000 0.000 0.237 456 R C 2.342 178.640 176.300 -0.003 0.000 1.137 456 R CA 1.974 58.074 56.100 0.001 0.000 0.951 456 R CB -0.747 29.555 30.300 0.003 0.000 0.851 456 R HN 0.360 nan 8.270 nan 0.000 0.434 457 K N 0.165 120.553 120.400 -0.021 0.000 2.057 457 K HA -0.028 4.292 4.320 0.000 0.000 0.207 457 K C 2.314 178.884 176.600 -0.050 0.000 1.049 457 K CA 1.954 58.222 56.287 -0.030 0.000 0.931 457 K CB -0.390 32.084 32.500 -0.043 0.000 0.714 457 K HN 0.385 nan 8.250 nan 0.000 0.440 458 L N 0.673 121.835 121.223 -0.101 0.000 2.093 458 L HA -0.167 4.173 4.340 0.000 0.000 0.208 458 L C 2.495 179.359 176.870 -0.009 0.000 1.085 458 L CA 0.848 55.576 54.840 -0.187 0.000 0.755 458 L CB -0.323 41.516 42.059 -0.367 0.000 0.904 458 L HN 0.149 nan 8.230 nan 0.000 0.435 459 I N -0.269 120.321 120.570 0.032 0.000 2.127 459 I HA -0.345 3.825 4.170 0.000 0.000 0.241 459 I C 2.926 179.123 176.117 0.133 0.000 1.075 459 I CA 1.775 63.128 61.300 0.088 0.000 1.334 459 I CB -0.375 37.654 38.000 0.048 0.000 1.040 459 I HN 0.256 nan 8.210 nan 0.000 0.405 460 E N 0.825 121.076 120.200 0.084 0.000 2.058 460 E HA -0.263 4.087 4.350 0.000 0.000 0.194 460 E C 2.138 178.801 176.600 0.106 0.000 0.997 460 E CA 1.950 58.401 56.400 0.085 0.000 0.801 460 E CB -0.439 29.290 29.700 0.049 0.000 0.746 460 E HN 0.588 nan 8.360 nan 0.000 0.450 461 E N -1.322 118.932 120.200 0.091 0.000 2.118 461 E HA -0.139 4.211 4.350 0.000 0.000 0.195 461 E C 1.745 178.482 176.600 0.227 0.000 0.992 461 E CA 1.234 57.701 56.400 0.111 0.000 0.804 461 E CB -0.776 28.953 29.700 0.048 0.000 0.741 461 E HN 0.776 nan 8.360 nan 0.000 0.458 462 Y N 1.043 121.439 120.300 0.160 0.000 2.163 462 Y HA -0.128 4.422 4.550 0.000 0.000 0.288 462 Y C 2.179 178.223 175.900 0.241 0.000 1.136 462 Y CA 1.804 60.055 58.100 0.253 0.000 1.147 462 Y CB -0.072 38.489 38.460 0.168 0.000 0.987 462 Y HN 0.023 nan 8.280 nan 0.000 0.509 463 K N -0.142 120.409 120.400 0.252 0.000 2.009 463 K HA -0.262 4.058 4.320 0.000 0.000 0.210 463 K C 2.157 178.804 176.600 0.078 0.000 1.049 463 K CA 2.164 58.541 56.287 0.150 0.000 0.929 463 K CB -0.250 32.343 32.500 0.155 0.000 0.714 463 K HN 0.471 nan 8.250 nan 0.000 0.440 464 Q N 0.385 120.235 119.800 0.083 0.000 2.020 464 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 464 Q C 2.068 178.068 176.000 0.000 0.000 0.982 464 Q CA 1.609 57.442 55.803 0.049 0.000 0.838 464 Q CB 0.022 28.788 28.738 0.048 0.000 0.899 464 Q HN 0.374 nan 8.270 nan 0.000 0.423 465 Q N -1.515 118.283 119.800 -0.003 0.000 2.402 465 Q HA 0.039 4.379 4.340 0.000 0.000 0.206 465 Q C 0.808 176.495 176.000 -0.521 0.000 0.919 465 Q CA 0.533 56.227 55.803 -0.181 0.000 0.923 465 Q CB 0.531 29.216 28.738 -0.088 0.000 1.048 465 Q HN 0.280 nan 8.270 nan 0.000 0.515 466 F N -1.794 117.976 119.950 -0.301 0.000 2.747 466 F HA 0.344 4.871 4.527 0.000 0.000 0.305 466 F C 1.588 177.181 175.800 -0.345 0.000 1.065 466 F CA 0.145 57.878 58.000 -0.445 0.000 1.230 466 F CB 0.491 38.915 39.000 -0.960 0.000 1.027 466 F HN -0.080 nan 8.300 nan 0.000 0.607 467 A N 0.141 122.890 122.820 -0.117 0.000 2.308 467 A HA 0.154 4.474 4.320 0.000 0.000 0.217 467 A C 0.455 178.046 177.584 0.011 0.000 1.216 467 A CA -0.199 51.827 52.037 -0.020 0.000 0.864 467 A CB -1.253 17.782 19.000 0.058 0.000 0.902 467 A HN 0.391 nan 8.150 nan 0.000 0.499 468 N N 0.374 119.075 118.700 0.003 0.000 2.453 468 N HA 0.175 4.915 4.740 0.000 0.000 0.253 468 N C -1.709 173.788 175.510 -0.022 0.000 1.252 468 N CA -1.112 51.961 53.050 0.038 0.000 0.917 468 N CB 0.392 38.954 38.487 0.126 0.000 1.117 468 N HN -0.063 nan 8.380 nan 0.000 0.442 469 P HA -0.141 nan 4.420 nan 0.000 0.228 469 P C 0.201 177.335 177.300 -0.275 0.000 1.151 469 P CA 1.184 64.140 63.100 -0.239 0.000 0.770 469 P CB -0.121 31.370 31.700 -0.349 0.000 0.786 470 Y N -0.645 119.636 120.300 -0.032 0.000 2.516 470 Y HA 0.027 4.577 4.550 -0.000 0.000 0.291 470 Y C 2.486 178.346 175.900 -0.066 0.000 1.131 470 Y CA 0.433 58.505 58.100 -0.046 0.000 1.281 470 Y CB -0.965 37.462 38.460 -0.055 0.000 1.013 470 Y HN -0.128 nan 8.280 nan 0.000 0.554 471 I N -0.568 120.026 120.570 0.039 0.000 2.233 471 I HA -0.239 3.931 4.170 0.000 0.000 0.243 471 I C 2.520 178.622 176.117 -0.026 0.000 1.093 471 I CA 1.154 62.444 61.300 -0.017 0.000 1.380 471 I CB -0.436 37.535 38.000 -0.049 0.000 1.067 471 I HN 0.164 nan 8.210 nan 0.000 0.413 472 A N 0.564 123.386 122.820 0.003 0.000 1.930 472 A HA -0.079 4.241 4.320 0.000 0.000 0.217 472 A C 2.484 180.056 177.584 -0.021 0.000 1.175 472 A CA 1.607 53.682 52.037 0.063 0.000 0.627 472 A CB -0.737 18.342 19.000 0.131 0.000 0.815 472 A HN 0.410 nan 8.150 nan 0.000 0.443 473 A N 0.296 123.100 122.820 -0.027 0.000 1.969 473 A HA -0.052 4.268 4.320 0.000 0.000 0.218 473 A C 2.452 180.008 177.584 -0.047 0.000 1.169 473 A CA 2.054 54.074 52.037 -0.029 0.000 0.635 473 A CB -0.829 18.158 19.000 -0.022 0.000 0.810 473 A HN 0.985 nan 8.150 nan 0.000 0.445 474 S N -0.702 114.966 115.700 -0.052 0.000 2.447 474 S HA -0.081 4.389 4.470 0.000 0.000 0.233 474 S C 1.769 176.282 174.600 -0.145 0.000 1.006 474 S CA 0.787 58.946 58.200 -0.067 0.000 0.957 474 S CB -0.265 62.906 63.200 -0.049 0.000 0.773 474 S HN 0.496 nan 8.310 nan 0.000 0.507 475 R N 0.724 121.054 120.500 -0.283 0.000 2.276 475 R HA 0.248 4.588 4.340 0.000 0.000 0.196 475 R C 1.779 177.829 176.300 -0.417 0.000 0.961 475 R CA 0.711 56.512 56.100 -0.499 0.000 1.024 475 R CB -0.871 28.733 30.300 -1.159 0.000 0.940 475 R HN 0.667 nan 8.270 nan 0.000 0.480 476 G N 0.431 109.089 108.800 -0.236 0.000 2.157 476 G HA2 -0.300 3.660 3.960 0.000 0.000 0.248 476 G HA3 -0.300 3.660 3.960 0.000 0.000 0.248 476 G C 0.438 175.370 174.900 0.054 0.000 0.979 476 G CA 0.238 45.295 45.100 -0.073 0.000 0.650 476 G HN 0.245 nan 8.290 nan 0.000 0.529 477 Y N -0.010 120.323 120.300 0.055 0.000 2.220 477 Y HA 0.271 4.821 4.550 0.000 0.000 0.291 477 Y C 1.992 177.893 175.900 0.002 0.000 1.129 477 Y CA 0.292 58.427 58.100 0.060 0.000 1.161 477 Y CB -0.428 38.151 38.460 0.198 0.000 0.997 477 Y HN 0.185 nan 8.280 nan 0.000 0.522 478 V N 2.474 122.480 119.914 0.153 0.000 2.407 478 V HA 0.109 4.229 4.120 0.000 0.000 0.278 478 V C 0.191 176.291 176.094 0.010 0.000 1.037 478 V CA -1.231 61.097 62.300 0.047 0.000 0.900 478 V CB 0.950 32.781 31.823 0.013 0.000 0.983 478 V HN 0.146 nan 8.190 nan 0.000 0.459 482 I N -0.712 119.812 120.570 -0.078 0.000 2.934 482 I HA 0.761 4.931 4.170 0.000 0.000 0.306 482 I C -0.563 175.504 176.117 -0.085 0.000 1.110 482 I CA -0.646 60.608 61.300 -0.077 0.000 1.019 482 I CB 2.142 40.019 38.000 -0.205 0.000 1.227 482 I HN 0.567 nan 8.210 nan 0.000 0.434 483 D N 4.852 125.209 120.400 -0.072 0.000 2.417 483 D HA 0.182 4.822 4.640 0.000 0.000 0.250 483 D C -1.747 174.364 176.300 -0.314 0.000 1.166 483 D CA -1.774 52.129 54.000 -0.163 0.000 0.881 483 D CB 1.697 42.448 40.800 -0.081 0.000 1.164 483 D HN 0.338 nan 8.370 nan 0.000 0.467 484 P HA -0.152 nan 4.420 nan 0.000 0.217 484 P C 0.908 177.944 177.300 -0.441 0.000 1.151 484 P CA 1.330 63.753 63.100 -1.128 0.000 0.849 484 P CB 0.156 30.874 31.700 -1.637 0.000 0.787 485 R N -0.425 119.911 120.500 -0.274 0.000 2.328 485 R HA -0.063 4.277 4.340 0.000 0.000 0.207 485 R C 1.408 177.699 176.300 -0.014 0.000 1.056 485 R CA 0.781 56.816 56.100 -0.109 0.000 1.016 485 R CB -0.392 29.852 30.300 -0.093 0.000 0.872 485 R HN 0.423 nan 8.270 nan 0.000 0.471 486 E N -0.936 119.281 120.200 0.027 0.000 2.481 486 E HA 0.043 4.393 4.350 0.000 0.000 0.198 486 E C 0.888 177.648 176.600 0.267 0.000 1.027 486 E CA 0.096 56.589 56.400 0.154 0.000 0.900 486 E CB 0.614 30.474 29.700 0.266 0.000 0.993 486 E HN 0.150 nan 8.360 nan 0.000 0.482 487 T N 1.432 116.114 114.554 0.214 0.000 2.674 487 T HA -0.219 4.131 4.350 0.000 0.000 0.265 487 T C 1.873 176.729 174.700 0.260 0.000 1.039 487 T CA 1.477 63.755 62.100 0.295 0.000 1.150 487 T CB -0.106 69.017 68.868 0.425 0.000 0.864 487 T HN 0.178 nan 8.240 nan 0.000 0.427 488 R N 1.175 121.795 120.500 0.200 0.000 2.081 488 R HA -0.077 4.263 4.340 0.000 0.000 0.235 488 R C 2.428 178.804 176.300 0.127 0.000 1.131 488 R CA 1.739 57.932 56.100 0.155 0.000 0.960 488 R CB -0.164 30.204 30.300 0.113 0.000 0.856 488 R HN 0.285 nan 8.270 nan 0.000 0.436 489 K N -0.837 119.627 120.400 0.106 0.000 2.097 489 K HA -0.177 4.143 4.320 0.000 0.000 0.205 489 K C 1.772 178.387 176.600 0.025 0.000 1.050 489 K CA 1.444 57.752 56.287 0.034 0.000 0.938 489 K CB -0.145 32.339 32.500 -0.027 0.000 0.718 489 K HN 0.215 nan 8.250 nan 0.000 0.442 490 Y N 1.141 121.466 120.300 0.042 0.000 2.163 490 Y HA -0.070 4.480 4.550 0.000 0.000 0.288 490 Y C 1.224 177.144 175.900 0.033 0.000 1.136 490 Y CA 0.792 58.914 58.100 0.037 0.000 1.147 490 Y CB -0.031 38.456 38.460 0.045 0.000 0.987 490 Y HN -0.035 nan 8.280 nan 0.000 0.509 494 A N 2.015 124.872 122.820 0.061 0.000 1.883 494 A HA -0.076 4.244 4.320 0.000 0.000 0.217 494 A C 2.109 179.719 177.584 0.044 0.000 1.186 494 A CA 1.547 53.621 52.037 0.062 0.000 0.624 494 A CB -0.676 18.372 19.000 0.079 0.000 0.822 494 A HN 0.157 nan 8.150 nan 0.000 0.444 495 L N -0.945 120.307 121.223 0.047 0.000 2.201 495 L HA -0.163 4.177 4.340 0.000 0.000 0.212 495 L C 2.500 179.391 176.870 0.034 0.000 1.105 495 L CA 1.237 56.102 54.840 0.042 0.000 0.775 495 L CB -0.548 41.544 42.059 0.054 0.000 0.913 495 L HN 0.495 nan 8.230 nan 0.000 0.440 496 E N -0.277 119.941 120.200 0.030 0.000 2.072 496 E HA -0.173 4.177 4.350 0.000 0.000 0.191 496 E C 2.284 178.895 176.600 0.018 0.000 0.985 496 E CA 1.195 57.609 56.400 0.023 0.000 0.801 496 E CB -0.011 29.699 29.700 0.017 0.000 0.750 496 E HN 0.247 nan 8.360 nan 0.000 0.452 497 V N 0.687 120.612 119.914 0.018 0.000 2.307 497 V HA -0.264 3.856 4.120 0.000 0.000 0.245 497 V C 2.221 178.322 176.094 0.012 0.000 1.045 497 V CA 1.386 63.694 62.300 0.014 0.000 1.024 497 V CB -0.314 31.519 31.823 0.017 0.000 0.651 497 V HN 0.449 nan 8.190 nan 0.000 0.449 498 C N -0.068 119.241 119.300 0.015 0.000 2.511 498 C HA -0.025 4.435 4.460 0.000 0.000 0.277 498 C C 2.447 177.442 174.990 0.007 0.000 1.451 498 C CA 0.186 59.209 59.018 0.009 0.000 1.735 498 C CB -1.491 26.256 27.740 0.013 0.000 1.704 498 C HN 0.602 nan 8.230 nan 0.000 0.571 499 E N 0.809 121.016 120.200 0.013 0.000 2.209 499 E HA -0.175 4.175 4.350 0.000 0.000 0.196 499 E C 1.849 178.451 176.600 0.003 0.000 0.993 499 E CA 1.767 58.175 56.400 0.013 0.000 0.819 499 E CB 0.051 29.761 29.700 0.017 0.000 0.745 499 E HN 0.803 nan 8.360 nan 0.000 0.477 500 T N -1.777 112.776 114.554 -0.001 0.000 3.176 500 T HA 0.150 4.500 4.350 0.000 0.000 0.263 500 T C 0.367 175.054 174.700 -0.023 0.000 1.021 500 T CA -0.516 61.579 62.100 -0.008 0.000 0.905 500 T CB 0.122 68.989 68.868 -0.002 0.000 1.057 500 T HN -0.118 nan 8.240 nan 0.000 0.558 501 K N 1.948 122.332 120.400 -0.027 0.000 2.453 501 K HA 0.256 4.576 4.320 0.000 0.000 0.280 501 K C -1.080 175.469 176.600 -0.085 0.000 1.045 501 K CA -0.021 56.239 56.287 -0.046 0.000 1.059 501 K CB 0.278 32.755 32.500 -0.039 0.000 0.901 501 K HN 0.116 nan 8.250 nan 0.000 0.475 502 V N 4.842 124.683 119.914 -0.122 0.000 2.444 502 V HA 0.310 4.430 4.120 0.000 0.000 0.294 502 V C -0.687 175.207 176.094 -0.334 0.000 1.022 502 V CA -0.669 61.488 62.300 -0.238 0.000 0.850 502 V CB 1.516 33.204 31.823 -0.225 0.000 0.992 502 V HN 0.863 nan 8.190 nan 0.000 0.426 503 E N 2.837 122.780 120.200 -0.428 0.000 2.275 503 E HA 0.555 4.905 4.350 0.000 0.000 0.270 503 E C -1.901 174.451 176.600 -0.414 0.000 0.882 503 E CA -0.591 55.605 56.400 -0.340 0.000 0.758 503 E CB 2.107 31.714 29.700 -0.154 0.000 1.195 503 E HN 0.593 nan 8.360 nan 0.000 0.419 504 Y N 1.559 121.851 120.300 -0.013 0.000 2.419 504 Y HA 0.528 5.078 4.550 -0.000 0.000 0.328 504 Y C 0.454 176.342 175.900 -0.020 0.000 1.162 504 Y CA -0.732 57.359 58.100 -0.015 0.000 1.174 504 Y CB 1.135 39.588 38.460 -0.011 0.000 1.228 504 Y HN 0.251 nan 8.280 nan 0.000 0.473 505 R N 1.116 121.714 120.500 0.163 0.000 2.807 505 R HA 0.472 4.812 4.340 0.000 0.000 0.276 505 R C -2.723 173.612 176.300 0.059 0.000 0.979 505 R CA -2.199 53.943 56.100 0.071 0.000 0.928 505 R CB 1.017 31.337 30.300 0.032 0.000 1.191 505 R HN 0.485 nan 8.270 nan 0.000 0.471 506 P HA 0.006 nan 4.420 nan 0.000 0.261 506 P C -0.573 176.732 177.300 0.009 0.000 1.173 506 P CA 0.232 63.339 63.100 0.011 0.000 0.760 506 P CB 0.444 32.145 31.700 0.001 0.000 0.783 507 K N 3.744 124.144 120.400 -0.000 0.000 2.472 507 K HA 0.078 4.398 4.320 0.000 0.000 0.280 507 K C 0.492 177.083 176.600 -0.014 0.000 1.028 507 K CA 0.538 56.822 56.287 -0.005 0.000 1.045 507 K CB 0.095 32.587 32.500 -0.013 0.000 0.902 507 K HN 0.488 nan 8.250 nan 0.000 0.478 508 K N 1.507 121.897 120.400 -0.016 0.000 2.562 508 K HA 0.216 4.536 4.320 0.000 0.000 0.267 508 K C -0.243 176.328 176.600 -0.049 0.000 0.938 508 K CA -1.057 55.203 56.287 -0.044 0.000 0.840 508 K CB 1.262 33.738 32.500 -0.040 0.000 1.390 508 K HN 0.089 nan 8.250 nan 0.000 0.428 509 K N 0.353 120.688 120.400 -0.109 0.000 2.074 509 K HA -0.171 4.149 4.320 0.000 0.000 0.209 509 K C 0.018 176.624 176.600 0.011 0.000 1.048 509 K CA 2.248 58.488 56.287 -0.079 0.000 0.926 509 K CB -0.436 31.965 32.500 -0.165 0.000 0.713 509 K HN 0.886 nan 8.250 nan 0.000 0.444 510 H N -4.831 114.255 119.070 0.027 0.000 2.883 510 H HA 0.371 4.927 4.556 -0.000 0.000 0.266 510 H C -0.263 175.100 175.328 0.058 0.000 1.446 510 H CA -0.630 55.441 56.048 0.038 0.000 1.179 510 H CB 0.234 30.011 29.762 0.025 0.000 1.806 510 H HN 0.024 nan 8.280 nan 0.000 0.467 511 G N -0.873 108.088 108.800 0.267 0.000 2.525 511 G HA2 0.327 4.287 3.960 0.000 0.000 0.287 511 G HA3 0.327 4.287 3.960 0.000 0.000 0.287 511 G C -0.578 174.481 174.900 0.264 0.000 1.350 511 G CA -0.524 44.731 45.100 0.259 0.000 1.039 511 G HN 0.755 nan 8.290 nan 0.000 0.513 512 N N -0.656 118.145 118.700 0.169 0.000 2.757 512 N HA 0.154 4.894 4.740 0.000 0.000 0.296 512 N C -0.250 175.192 175.510 -0.112 0.000 1.874 512 N CA -0.571 52.514 53.050 0.057 0.000 0.885 512 N CB -0.047 38.480 38.487 0.066 0.000 1.242 512 N HN 0.439 nan 8.380 nan 0.000 0.488 513 I N 1.186 121.511 120.570 -0.408 0.000 2.845 513 I HA 0.091 4.261 4.170 0.000 0.000 0.296 513 I C -1.690 174.217 176.117 -0.350 0.000 1.216 513 I CA -0.999 59.825 61.300 -0.794 0.000 1.438 513 I CB 0.702 38.096 38.000 -1.010 0.000 1.342 513 I HN 0.295 nan 8.210 nan 0.000 0.577 514 P HA 0.168 nan 4.420 nan 0.000 0.267 514 P C -0.842 176.341 177.300 -0.196 0.000 1.200 514 P CA 0.136 63.133 63.100 -0.173 0.000 0.772 514 P CB 0.566 32.190 31.700 -0.127 0.000 0.855 515 L N 0.000 121.114 121.223 -0.182 0.000 2.949 515 L HA 0.000 4.340 4.340 0.000 0.000 0.249 515 L CA 0.000 54.739 54.840 -0.169 0.000 0.813 515 L CB 0.000 41.988 42.059 -0.118 0.000 0.961 515 L HN 0.000 nan 8.230 nan 0.000 0.502