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 3min_1_C DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NXXXXXXXXX CIISNKKSQP DATA SEQUENCE GLMTIRGCAY AGSKGVVWGP IKDMIHISHG PVGCGQYSRA GRRNYYIGTT DATA SEQUENCE GVNAFVTMNF TSDFQEKDIV FGGDKKLAKL IDEVETLFPL NKGISVQSEC DATA SEQUENCE PIGLIGDDIE SVSKVKGAEL SKTIVPVRCE GFRGVSQSLG HHIANDAVRD DATA SEQUENCE WVLGKRDEDT TFASTPYDVA IIGDYNIGGD AWSSRILLEE MGLRCVAQWS DATA SEQUENCE GDGSISEIEL TPKVKLNLVH CYRSMNYISR HMEEKYGIPW MEYNFFGPTK DATA SEQUENCE TIESLRAIAA KFDESIQKKC EEVIAKYKPE WEAVVAKYRP RLEGKRVMLY DATA SEQUENCE IGGLRPRHVI GAYEDLGMEV VGTGYEFAHN DDYDRTMKEM GDSTLLYDDV DATA SEQUENCE TGYEFEEFVK RIKPDLIGSG IKEKFIFQKM GIPFREMHSW DYSGPYHGFD DATA SEQUENCE GFAIFARDMD MTLNNPCWKK LQAPWEA 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.594 174.600 -0.010 0.000 1.055 5 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 5 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 6 R N 0.815 121.309 120.500 -0.011 0.000 2.310 6 R HA -0.353 3.988 4.340 0.002 0.000 0.188 6 R C 1.680 177.978 176.300 -0.003 0.000 1.034 6 R CA 3.508 59.603 56.100 -0.008 0.000 0.330 6 R CB -2.593 27.704 30.300 -0.005 0.000 0.678 6 R HN 1.038 nan 8.270 nan 0.000 0.243 7 E N -0.482 119.718 120.200 -0.000 0.000 2.097 7 E HA -0.208 4.143 4.350 0.002 0.000 0.196 7 E C 2.270 178.874 176.600 0.006 0.000 1.000 7 E CA 1.041 57.444 56.400 0.004 0.000 0.804 7 E CB -0.154 29.549 29.700 0.005 0.000 0.740 7 E HN 0.757 nan 8.360 nan 0.000 0.454 8 E N 0.975 121.177 120.200 0.002 0.000 2.051 8 E HA -0.174 4.178 4.350 0.002 0.000 0.192 8 E C 2.163 178.766 176.600 0.005 0.000 0.991 8 E CA 1.278 57.680 56.400 0.004 0.000 0.799 8 E CB 0.086 29.785 29.700 -0.001 0.000 0.748 8 E HN 0.130 nan 8.360 nan 0.000 0.449 9 V N 1.128 121.039 119.914 -0.006 0.000 2.453 9 V HA -0.177 3.944 4.120 0.002 0.000 0.247 9 V C 2.260 178.354 176.094 -0.001 0.000 1.048 9 V CA 1.895 64.184 62.300 -0.018 0.000 1.049 9 V CB -0.533 31.267 31.823 -0.038 0.000 0.672 9 V HN 0.205 nan 8.190 nan 0.000 0.457 10 E N 0.162 120.367 120.200 0.008 0.000 2.110 10 E HA -0.188 4.163 4.350 0.002 0.000 0.193 10 E C 2.413 179.037 176.600 0.040 0.000 0.988 10 E CA 1.413 57.827 56.400 0.024 0.000 0.804 10 E CB -0.218 29.494 29.700 0.019 0.000 0.745 10 E HN 0.515 nan 8.360 nan 0.000 0.458 11 S N 0.595 116.315 115.700 0.034 0.000 2.356 11 S HA -0.113 4.358 4.470 0.002 0.000 0.223 11 S C 1.904 176.539 174.600 0.057 0.000 1.032 11 S CA 0.619 58.843 58.200 0.039 0.000 1.005 11 S CB -0.191 63.025 63.200 0.028 0.000 0.867 11 S HN 0.265 nan 8.310 nan 0.000 0.449 12 L N 1.052 122.312 121.223 0.062 0.000 1.989 12 L HA -0.134 4.207 4.340 0.002 0.000 0.211 12 L C 2.278 179.249 176.870 0.169 0.000 1.071 12 L CA 2.028 56.929 54.840 0.103 0.000 0.749 12 L CB -0.648 41.465 42.059 0.090 0.000 0.890 12 L HN 0.439 nan 8.230 nan 0.000 0.431 13 I N -0.419 120.248 120.570 0.163 0.000 2.127 13 I HA -0.371 3.800 4.170 0.002 0.000 0.241 13 I C 2.609 178.834 176.117 0.180 0.000 1.075 13 I CA 1.380 62.815 61.300 0.225 0.000 1.334 13 I CB -0.320 37.766 38.000 0.143 0.000 1.040 13 I HN 0.357 nan 8.210 nan 0.000 0.405 14 Q N 0.695 120.566 119.800 0.119 0.000 2.084 14 Q HA -0.211 4.130 4.340 0.002 0.000 0.202 14 Q C 2.044 178.093 176.000 0.082 0.000 0.978 14 Q CA 1.593 57.453 55.803 0.096 0.000 0.844 14 Q CB -0.245 28.534 28.738 0.069 0.000 0.898 14 Q HN 0.463 nan 8.270 nan 0.000 0.426 15 E N -0.797 119.448 120.200 0.074 0.000 2.058 15 E HA -0.179 4.173 4.350 0.002 0.000 0.194 15 E C 1.951 178.581 176.600 0.050 0.000 0.997 15 E CA 1.482 57.914 56.400 0.054 0.000 0.801 15 E CB -0.084 29.645 29.700 0.048 0.000 0.746 15 E HN 0.131 nan 8.360 nan 0.000 0.450 16 V N 1.398 121.353 119.914 0.069 0.000 2.295 16 V HA -0.252 3.869 4.120 0.002 0.000 0.246 16 V C 2.282 178.383 176.094 0.011 0.000 1.049 16 V CA 1.489 63.817 62.300 0.046 0.000 1.024 16 V CB -0.390 31.432 31.823 -0.002 0.000 0.648 16 V HN 0.283 nan 8.190 nan 0.000 0.447 17 L N -0.128 121.121 121.223 0.044 0.000 2.353 17 L HA -0.116 4.225 4.340 0.002 0.000 0.220 17 L C 2.329 179.172 176.870 -0.045 0.000 1.133 17 L CA 0.858 55.718 54.840 0.034 0.000 0.798 17 L CB -0.526 41.645 42.059 0.187 0.000 0.922 17 L HN 0.340 nan 8.230 nan 0.000 0.445 18 E N -0.492 119.686 120.200 -0.037 0.000 2.516 18 E HA -0.098 4.253 4.350 0.002 0.000 0.199 18 E C 2.059 178.601 176.600 -0.096 0.000 1.069 18 E CA 0.468 56.850 56.400 -0.030 0.000 0.876 18 E CB -0.075 29.623 29.700 -0.003 0.000 0.843 18 E HN 0.266 nan 8.360 nan 0.000 0.530 19 V N 0.354 120.116 119.914 -0.253 0.000 3.129 19 V HA -0.093 4.028 4.120 0.002 0.000 0.259 19 V C 0.104 176.053 176.094 -0.243 0.000 1.116 19 V CA 0.511 62.615 62.300 -0.326 0.000 1.127 19 V CB -0.227 31.221 31.823 -0.625 0.000 0.742 19 V HN 0.023 nan 8.190 nan 0.000 0.474 20 Y N 1.339 121.578 120.300 -0.102 0.000 2.326 20 Y HA 0.415 4.966 4.550 0.002 0.000 0.333 20 Y C -1.609 174.259 175.900 -0.053 0.000 1.240 20 Y CA -3.382 54.666 58.100 -0.087 0.000 1.365 20 Y CB -0.635 37.798 38.460 -0.046 0.000 1.289 20 Y HN 0.150 nan 8.280 nan 0.000 0.548 21 P HA 0.019 nan 4.420 nan 0.000 0.269 21 P C 0.547 177.887 177.300 0.067 0.000 1.209 21 P CA -0.012 63.126 63.100 0.064 0.000 0.776 21 P CB 0.828 32.545 31.700 0.028 0.000 0.876 22 E N 3.004 123.233 120.200 0.048 0.000 2.086 22 E HA -0.304 4.047 4.350 0.002 0.000 0.205 22 E C 1.722 178.340 176.600 0.030 0.000 1.027 22 E CA 2.070 58.497 56.400 0.044 0.000 0.830 22 E CB -0.386 29.332 29.700 0.030 0.000 0.751 22 E HN 0.331 nan 8.360 nan 0.000 0.456 23 K N 0.069 120.474 120.400 0.009 0.000 2.044 23 K HA -0.139 4.182 4.320 0.002 0.000 0.210 23 K C 1.894 178.476 176.600 -0.029 0.000 1.049 23 K CA 2.039 58.322 56.287 -0.006 0.000 0.927 23 K CB -0.772 31.719 32.500 -0.014 0.000 0.713 23 K HN 0.154 nan 8.250 nan 0.000 0.443 24 A N 0.681 123.461 122.820 -0.067 0.000 1.898 24 A HA -0.104 4.217 4.320 0.002 0.000 0.216 24 A C 2.268 179.754 177.584 -0.163 0.000 1.181 24 A CA 1.649 53.575 52.037 -0.185 0.000 0.620 24 A CB -0.636 18.172 19.000 -0.319 0.000 0.819 24 A HN 0.461 nan 8.150 nan 0.000 0.442 25 R N 0.022 120.533 120.500 0.017 0.000 2.081 25 R HA -0.144 4.197 4.340 0.002 0.000 0.235 25 R C 2.017 178.386 176.300 0.115 0.000 1.131 25 R CA 1.934 58.139 56.100 0.174 0.000 0.960 25 R CB -0.238 30.183 30.300 0.202 0.000 0.856 25 R HN 0.497 nan 8.270 nan 0.000 0.436 26 K N -0.162 120.278 120.400 0.067 0.000 2.097 26 K HA -0.162 4.159 4.320 0.002 0.000 0.205 26 K C 1.753 178.393 176.600 0.066 0.000 1.050 26 K CA 1.699 58.023 56.287 0.060 0.000 0.938 26 K CB -0.155 32.369 32.500 0.040 0.000 0.718 26 K HN 0.238 nan 8.250 nan 0.000 0.442 27 D N 0.391 120.820 120.400 0.049 0.000 2.103 27 D HA -0.107 4.534 4.640 0.002 0.000 0.199 27 D C 1.955 178.360 176.300 0.174 0.000 0.978 27 D CA 0.982 55.035 54.000 0.089 0.000 0.829 27 D CB 0.290 41.108 40.800 0.030 0.000 0.981 27 D HN -0.087 nan 8.370 nan 0.000 0.464 28 R N 0.629 121.178 120.500 0.081 0.000 2.120 28 R HA -0.091 4.250 4.340 0.002 0.000 0.234 28 R C 2.070 178.511 176.300 0.235 0.000 1.123 28 R CA 0.638 56.820 56.100 0.136 0.000 0.975 28 R CB -1.469 28.872 30.300 0.068 0.000 0.866 28 R HN 0.478 nan 8.270 nan 0.000 0.446 29 N N 1.469 120.285 118.700 0.194 0.000 2.205 29 N HA -0.174 4.567 4.740 0.002 0.000 0.186 29 N C 1.031 176.616 175.510 0.125 0.000 1.015 29 N CA 1.110 54.260 53.050 0.166 0.000 0.862 29 N CB 0.107 38.668 38.487 0.125 0.000 0.986 29 N HN 0.238 nan 8.380 nan 0.000 0.429 30 K N -0.673 119.790 120.400 0.105 0.000 2.442 30 K HA -0.100 4.221 4.320 0.002 0.000 0.198 30 K C 0.451 176.973 176.600 -0.130 0.000 1.042 30 K CA 0.826 57.100 56.287 -0.022 0.000 0.958 30 K CB -0.051 32.406 32.500 -0.071 0.000 0.766 30 K HN 0.449 nan 8.250 nan 0.000 0.474 31 H N -0.665 118.430 119.070 0.041 0.000 2.594 31 H HA 0.275 4.832 4.556 0.002 0.000 0.279 31 H C -0.495 174.889 175.328 0.093 0.000 1.042 31 H CA -0.071 56.002 56.048 0.041 0.000 1.177 31 H CB 0.414 30.222 29.762 0.077 0.000 1.524 31 H HN -0.108 nan 8.280 nan 0.000 0.537 32 L N 0.780 122.117 121.223 0.190 0.000 2.362 32 L HA 0.793 5.134 4.340 0.002 0.000 0.275 32 L C -0.505 176.416 176.870 0.086 0.000 0.998 32 L CA -0.939 54.017 54.840 0.194 0.000 0.820 32 L CB 1.954 44.177 42.059 0.272 0.000 1.270 32 L HN 0.096 nan 8.230 nan 0.000 0.415 33 A N 2.820 125.668 122.820 0.046 0.000 2.594 33 A HA 0.884 5.205 4.320 0.002 0.000 0.291 33 A C -1.456 176.120 177.584 -0.012 0.000 1.105 33 A CA -0.535 51.505 52.037 0.006 0.000 0.694 33 A CB 2.093 21.080 19.000 -0.021 0.000 1.291 33 A HN 0.307 nan 8.150 nan 0.000 0.410 34 V N 2.165 122.070 119.914 -0.015 0.000 2.495 34 V HA 0.434 4.555 4.120 0.002 0.000 0.298 34 V C 0.112 176.196 176.094 -0.017 0.000 1.031 34 V CA -0.537 61.749 62.300 -0.024 0.000 0.871 34 V CB 1.383 33.194 31.823 -0.021 0.000 0.988 34 V HN 1.082 nan 8.190 nan 0.000 0.432 46 I N 2.487 122.969 120.570 -0.145 0.000 2.894 46 I HA 0.756 4.927 4.170 0.002 0.000 0.302 46 I C -1.194 174.744 176.117 -0.299 0.000 1.188 46 I CA -1.294 59.862 61.300 -0.239 0.000 1.014 46 I CB 2.178 39.978 38.000 -0.334 0.000 1.242 46 I HN 0.451 nan 8.210 nan 0.000 0.430 47 I N 3.031 123.376 120.570 -0.374 0.000 2.797 47 I HA 0.817 4.989 4.170 0.002 0.000 0.307 47 I C -0.543 175.349 176.117 -0.375 0.000 1.033 47 I CA -0.231 60.856 61.300 -0.355 0.000 1.071 47 I CB 2.070 39.867 38.000 -0.337 0.000 1.255 47 I HN 0.597 nan 8.210 nan 0.000 0.445 48 S N 1.572 117.176 115.700 -0.160 0.000 2.705 48 S HA 0.423 4.894 4.470 0.002 0.000 0.280 48 S C -0.147 174.499 174.600 0.076 0.000 1.174 48 S CA -0.589 57.636 58.200 0.041 0.000 0.823 48 S CB 1.247 64.499 63.200 0.086 0.000 1.162 48 S HN 1.084 nan 8.310 nan 0.000 0.487 49 N N 0.441 119.217 118.700 0.127 0.000 2.740 49 N HA -0.146 4.595 4.740 0.002 0.000 0.248 49 N C -1.020 174.509 175.510 0.032 0.000 1.062 49 N CA 0.560 53.627 53.050 0.027 0.000 0.704 49 N CB -0.617 37.709 38.487 -0.268 0.000 0.968 49 N HN 0.517 nan 8.380 nan 0.000 0.547 50 K N 1.006 121.476 120.400 0.117 0.000 2.352 50 K HA 0.327 4.648 4.320 0.002 0.000 0.240 50 K C -0.009 176.637 176.600 0.076 0.000 1.017 50 K CA -0.666 55.681 56.287 0.101 0.000 0.851 50 K CB 0.956 33.560 32.500 0.173 0.000 1.261 50 K HN 0.300 nan 8.250 nan 0.000 0.451 51 K N 0.039 120.468 120.400 0.048 0.000 2.380 51 K HA 0.177 4.498 4.320 0.002 0.000 0.267 51 K C -0.326 176.272 176.600 -0.003 0.000 0.990 51 K CA -0.044 56.260 56.287 0.027 0.000 0.946 51 K CB 0.238 32.750 32.500 0.020 0.000 0.937 51 K HN 0.292 nan 8.250 nan 0.000 0.491 52 S N 2.216 117.913 115.700 -0.005 0.000 2.565 52 S HA 0.043 4.514 4.470 0.002 0.000 0.274 52 S C -0.257 174.314 174.600 -0.049 0.000 1.309 52 S CA -0.894 57.285 58.200 -0.034 0.000 1.043 52 S CB 0.966 64.167 63.200 0.001 0.000 0.939 52 S HN 0.478 nan 8.310 nan 0.000 0.504 53 Q N 3.365 123.111 119.800 -0.090 0.000 2.289 53 Q HA 0.183 4.525 4.340 0.002 0.000 0.273 53 Q C -2.084 173.873 176.000 -0.071 0.000 1.029 53 Q CA -1.710 54.035 55.803 -0.096 0.000 0.896 53 Q CB -0.046 28.592 28.738 -0.166 0.000 1.182 53 Q HN 0.429 nan 8.270 nan 0.000 0.385 54 P HA -0.051 nan 4.420 nan 0.000 0.265 54 P C 0.560 177.837 177.300 -0.037 0.000 1.187 54 P CA 0.709 63.788 63.100 -0.034 0.000 0.766 54 P CB 0.465 32.149 31.700 -0.027 0.000 0.820 55 G N 2.152 110.940 108.800 -0.021 0.000 2.162 55 G HA2 -0.254 3.707 3.960 0.002 0.000 0.260 55 G HA3 -0.254 3.707 3.960 0.002 0.000 0.260 55 G C 0.459 175.355 174.900 -0.008 0.000 0.976 55 G CA 0.176 45.268 45.100 -0.014 0.000 0.655 55 G HN 0.520 nan 8.290 nan 0.000 0.533 56 L N -0.421 120.794 121.223 -0.012 0.000 2.818 56 L HA 0.508 4.849 4.340 0.002 0.000 0.243 56 L C 1.381 178.277 176.870 0.043 0.000 1.185 56 L CA 0.099 54.945 54.840 0.010 0.000 0.988 56 L CB 0.168 42.199 42.059 -0.046 0.000 1.292 56 L HN 0.396 nan 8.230 nan 0.000 0.519 57 M N 1.227 120.849 119.600 0.037 0.000 2.981 57 M HA -0.170 4.311 4.480 0.002 0.000 0.176 57 M C -0.183 176.154 176.300 0.062 0.000 1.201 57 M CA 0.213 55.542 55.300 0.050 0.000 0.743 57 M CB -0.816 31.819 32.600 0.059 0.000 1.223 57 M HN 0.223 nan 8.290 nan 0.000 0.747 58 T N 1.830 116.419 114.554 0.058 0.000 2.900 58 T HA 0.206 4.557 4.350 0.002 0.000 0.307 58 T C 1.342 176.110 174.700 0.114 0.000 1.065 58 T CA -0.027 62.122 62.100 0.081 0.000 1.105 58 T CB 0.711 69.623 68.868 0.073 0.000 0.979 58 T HN 0.517 nan 8.240 nan 0.000 0.544 59 I N 0.940 121.613 120.570 0.170 0.000 3.603 59 I HA 0.091 4.262 4.170 0.002 0.000 0.297 59 I C 1.455 177.701 176.117 0.215 0.000 1.269 59 I CA 0.161 61.589 61.300 0.213 0.000 1.361 59 I CB 0.067 38.264 38.000 0.328 0.000 1.063 59 I HN 0.393 nan 8.210 nan 0.000 0.448 60 R N 0.969 121.598 120.500 0.215 0.000 2.811 60 R HA 0.244 4.585 4.340 0.002 0.000 0.265 60 R C 0.579 176.966 176.300 0.146 0.000 1.026 60 R CA 0.403 56.633 56.100 0.216 0.000 1.142 60 R CB 0.275 30.698 30.300 0.206 0.000 1.027 60 R HN 0.186 nan 8.270 nan 0.000 0.465 61 G N -0.150 108.729 108.800 0.131 0.000 2.990 61 G HA2 0.464 4.425 3.960 0.002 0.000 0.208 61 G HA3 0.464 4.425 3.960 0.002 0.000 0.208 61 G C -0.654 174.267 174.900 0.036 0.000 1.334 61 G CA -0.551 44.594 45.100 0.075 0.000 1.024 61 G HN 0.822 nan 8.290 nan 0.000 0.574 62 C N -2.771 116.541 119.300 0.021 0.000 2.531 62 C HA 0.824 5.285 4.460 0.002 0.000 0.369 62 C C 2.069 177.023 174.990 -0.061 0.000 1.258 62 C CA 0.140 59.156 59.018 -0.003 0.000 1.876 62 C CB 1.214 28.977 27.740 0.038 0.000 2.256 62 C HN 1.098 nan 8.230 nan 0.000 0.510 63 A N -0.114 122.656 122.820 -0.085 0.000 1.940 63 A HA -0.144 4.177 4.320 0.002 0.000 0.219 63 A C 1.909 179.440 177.584 -0.088 0.000 1.176 63 A CA 2.141 54.099 52.037 -0.131 0.000 0.631 63 A CB -1.215 17.700 19.000 -0.141 0.000 0.814 63 A HN 1.258 nan 8.150 nan 0.000 0.446 64 Y N 0.646 120.862 120.300 -0.140 0.000 2.128 64 Y HA -0.136 4.415 4.550 0.002 0.000 0.284 64 Y C 2.573 178.425 175.900 -0.080 0.000 1.154 64 Y CA 1.494 59.529 58.100 -0.109 0.000 1.149 64 Y CB -0.542 37.859 38.460 -0.100 0.000 0.976 64 Y HN 0.305 nan 8.280 nan 0.000 0.505 65 A N 0.348 123.140 122.820 -0.046 0.000 1.908 65 A HA -0.136 4.185 4.320 0.002 0.000 0.218 65 A C 2.446 179.908 177.584 -0.204 0.000 1.181 65 A CA 1.820 53.780 52.037 -0.127 0.000 0.627 65 A CB -1.737 17.255 19.000 -0.013 0.000 0.818 65 A HN 0.633 nan 8.150 nan 0.000 0.445 66 G N -1.504 107.162 108.800 -0.223 0.000 2.422 66 G HA2 -0.060 3.901 3.960 0.002 0.000 0.218 66 G HA3 -0.060 3.901 3.960 0.002 0.000 0.218 66 G C 1.850 176.700 174.900 -0.083 0.000 1.140 66 G CA 1.462 46.420 45.100 -0.236 0.000 0.775 66 G HN 0.562 nan 8.290 nan 0.000 0.545 67 S N -0.639 114.989 115.700 -0.120 0.000 2.370 67 S HA 0.060 4.531 4.470 0.002 0.000 0.214 67 S C 2.242 176.814 174.600 -0.047 0.000 1.033 67 S CA 1.224 59.425 58.200 0.003 0.000 0.941 67 S CB -0.203 62.988 63.200 -0.015 0.000 0.886 67 S HN 0.185 nan 8.310 nan 0.000 0.521 68 K N 0.879 121.083 120.400 -0.327 0.000 2.007 68 K HA 0.010 4.331 4.320 0.002 0.000 0.206 68 K C 2.126 178.553 176.600 -0.288 0.000 1.047 68 K CA 1.633 57.698 56.287 -0.370 0.000 0.937 68 K CB -1.256 30.802 32.500 -0.736 0.000 0.718 68 K HN 0.421 nan 8.250 nan 0.000 0.438 69 G N 0.967 109.563 108.800 -0.340 0.000 2.421 69 G HA2 -0.214 3.748 3.960 0.002 0.000 0.216 69 G HA3 -0.214 3.748 3.960 0.002 0.000 0.216 69 G C 1.561 176.369 174.900 -0.152 0.000 1.171 69 G CA 1.477 46.462 45.100 -0.191 0.000 0.775 69 G HN 0.342 nan 8.290 nan 0.000 0.543 70 V N -1.637 118.173 119.914 -0.173 0.000 2.627 70 V HA 0.149 4.270 4.120 0.002 0.000 0.239 70 V C 2.527 178.481 176.094 -0.235 0.000 1.077 70 V CA 1.366 63.508 62.300 -0.263 0.000 1.103 70 V CB -0.166 31.456 31.823 -0.336 0.000 0.802 70 V HN 0.096 nan 8.190 nan 0.000 0.482 71 V N -0.519 119.326 119.914 -0.114 0.000 2.300 71 V HA -0.049 4.072 4.120 0.002 0.000 0.241 71 V C 2.273 178.241 176.094 -0.211 0.000 1.034 71 V CA 2.481 64.735 62.300 -0.077 0.000 1.021 71 V CB -0.763 30.997 31.823 -0.104 0.000 0.662 71 V HN 0.657 nan 8.190 nan 0.000 0.458 72 W N 0.630 121.816 121.300 -0.190 0.000 2.441 72 W HA 0.156 4.817 4.660 0.002 0.000 0.302 72 W C 2.580 178.707 176.519 -0.654 0.000 1.191 72 W CA 1.177 58.300 57.345 -0.371 0.000 1.327 72 W CB -1.116 28.099 29.460 -0.409 0.000 1.128 72 W HN 0.280 nan 8.180 nan 0.000 0.522 73 G N 1.210 109.812 108.800 -0.330 0.000 2.547 73 G HA2 -0.288 3.673 3.960 0.002 0.000 0.221 73 G HA3 -0.288 3.673 3.960 0.002 0.000 0.221 73 G C -0.825 174.037 174.900 -0.063 0.000 1.140 73 G CA 1.361 46.309 45.100 -0.254 0.000 0.760 73 G HN 0.160 nan 8.290 nan 0.000 0.583 74 P HA -0.020 nan 4.420 nan 0.000 0.221 74 P C 0.653 177.967 177.300 0.024 0.000 1.145 74 P CA 0.579 63.690 63.100 0.019 0.000 0.795 74 P CB -0.015 31.726 31.700 0.069 0.000 0.775 75 I N 1.267 121.877 120.570 0.066 0.000 2.471 75 I HA -0.045 4.127 4.170 0.002 0.000 0.294 75 I C 1.853 178.083 176.117 0.188 0.000 1.123 75 I CA 0.044 61.409 61.300 0.109 0.000 1.336 75 I CB 0.266 38.341 38.000 0.126 0.000 1.430 75 I HN 0.038 nan 8.210 nan 0.000 0.533 76 K N 4.155 124.581 120.400 0.043 0.000 2.147 76 K HA -0.187 4.135 4.320 0.002 0.000 0.205 76 K C 0.677 177.305 176.600 0.048 0.000 1.049 76 K CA 1.642 57.900 56.287 -0.049 0.000 0.936 76 K CB -0.122 32.347 32.500 -0.051 0.000 0.722 76 K HN 0.633 nan 8.250 nan 0.000 0.446 77 D N 0.061 120.523 120.400 0.103 0.000 2.328 77 D HA 0.092 4.733 4.640 0.002 0.000 0.221 77 D C 0.455 176.892 176.300 0.228 0.000 1.072 77 D CA 0.114 54.229 54.000 0.192 0.000 0.850 77 D CB 0.030 40.903 40.800 0.121 0.000 0.922 77 D HN 0.224 nan 8.370 nan 0.000 0.516 78 M N 0.118 119.752 119.600 0.055 0.000 2.654 78 M HA 0.437 4.918 4.480 0.002 0.000 0.310 78 M C -0.391 175.561 176.300 -0.580 0.000 1.211 78 M CA -0.945 54.231 55.300 -0.207 0.000 0.947 78 M CB 2.628 35.143 32.600 -0.143 0.000 1.647 78 M HN -0.248 nan 8.290 nan 0.000 0.481 79 I N 1.528 121.607 120.570 -0.819 0.000 2.359 79 I HA 0.233 4.404 4.170 0.002 0.000 0.294 79 I C -0.655 174.938 176.117 -0.874 0.000 0.987 79 I CA -0.668 59.966 61.300 -1.109 0.000 1.225 79 I CB 0.848 37.941 38.000 -1.511 0.000 1.366 79 I HN 0.491 nan 8.210 nan 0.000 0.466 80 H N 6.999 125.878 119.070 -0.319 0.000 2.541 80 H HA 0.384 4.941 4.556 0.002 0.000 0.316 80 H C -0.391 174.863 175.328 -0.124 0.000 1.043 80 H CA -0.696 55.244 56.048 -0.180 0.000 1.232 80 H CB 1.403 31.140 29.762 -0.042 0.000 1.406 80 H HN 0.255 nan 8.280 nan 0.000 0.469 81 I N 2.551 123.077 120.570 -0.074 0.000 2.325 81 I HA 0.039 4.211 4.170 0.002 0.000 0.291 81 I C 0.670 176.818 176.117 0.051 0.000 1.019 81 I CA -0.253 61.031 61.300 -0.026 0.000 1.302 81 I CB 0.709 38.630 38.000 -0.131 0.000 1.401 81 I HN 0.330 nan 8.210 nan 0.000 0.485 82 S N 5.892 121.664 115.700 0.121 0.000 2.411 82 S HA 0.108 4.579 4.470 0.002 0.000 0.304 82 S C -0.024 174.613 174.600 0.062 0.000 1.098 82 S CA -0.212 58.079 58.200 0.151 0.000 1.068 82 S CB -0.504 62.805 63.200 0.183 0.000 1.032 82 S HN 0.407 nan 8.310 nan 0.000 0.511 83 H N 2.517 121.519 119.070 -0.114 0.000 2.705 83 H HA 0.620 5.177 4.556 0.002 0.000 0.291 83 H C 0.564 175.592 175.328 -0.499 0.000 1.085 83 H CA 0.938 56.842 56.048 -0.239 0.000 1.357 83 H CB -0.086 29.570 29.762 -0.177 0.000 1.419 83 H HN 0.805 nan 8.280 nan 0.000 0.462 84 G N 4.319 112.619 108.800 -0.834 0.000 2.334 84 G HA2 -0.043 3.918 3.960 0.002 0.000 0.249 84 G HA3 -0.043 3.918 3.960 0.002 0.000 0.249 84 G C -2.894 171.669 174.900 -0.560 0.000 1.327 84 G CA -0.864 43.504 45.100 -1.221 0.000 0.979 84 G HN 0.481 nan 8.290 nan 0.000 0.471 85 P HA 0.317 nan 4.420 nan 0.000 0.272 85 P C 1.096 178.328 177.300 -0.112 0.000 1.254 85 P CA -0.129 62.921 63.100 -0.084 0.000 0.795 85 P CB 0.953 32.622 31.700 -0.051 0.000 1.022 86 V N 0.941 120.810 119.914 -0.074 0.000 2.809 86 V HA -0.078 4.043 4.120 0.002 0.000 0.256 86 V C 2.025 177.988 176.094 -0.219 0.000 1.080 86 V CA 2.483 64.716 62.300 -0.112 0.000 1.102 86 V CB -1.424 30.355 31.823 -0.073 0.000 0.705 86 V HN 0.736 nan 8.190 nan 0.000 0.475 87 G N -0.511 108.155 108.800 -0.224 0.000 2.511 87 G HA2 -0.298 3.664 3.960 0.002 0.000 0.216 87 G HA3 -0.298 3.664 3.960 0.002 0.000 0.216 87 G C 1.751 176.322 174.900 -0.549 0.000 1.218 87 G CA 1.406 46.265 45.100 -0.402 0.000 0.788 87 G HN 0.570 nan 8.290 nan 0.000 0.560 88 C N 0.989 120.124 119.300 -0.275 0.000 2.393 88 C HA 0.006 4.467 4.460 0.002 0.000 0.276 88 C C 3.251 178.182 174.990 -0.099 0.000 1.215 88 C CA 0.743 59.606 59.018 -0.258 0.000 1.743 88 C CB -1.431 25.854 27.740 -0.758 0.000 2.044 88 C HN 0.508 nan 8.230 nan 0.000 0.464 89 G N -0.547 108.192 108.800 -0.102 0.000 2.422 89 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 89 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 89 G C 1.570 176.442 174.900 -0.046 0.000 1.146 89 G CA 1.216 46.341 45.100 0.041 0.000 0.769 89 G HN 0.581 nan 8.290 nan 0.000 0.547 90 Q N -0.180 119.485 119.800 -0.224 0.000 2.046 90 Q HA -0.072 4.269 4.340 0.002 0.000 0.200 90 Q C 2.248 178.134 176.000 -0.190 0.000 0.975 90 Q CA 1.395 57.039 55.803 -0.265 0.000 0.836 90 Q CB -0.467 28.012 28.738 -0.432 0.000 0.896 90 Q HN 0.574 nan 8.270 nan 0.000 0.428 91 Y N -0.048 120.277 120.300 0.041 0.000 2.352 91 Y HA -0.041 4.510 4.550 0.002 0.000 0.292 91 Y C 2.389 178.333 175.900 0.074 0.000 1.136 91 Y CA 1.139 59.270 58.100 0.051 0.000 1.227 91 Y CB -0.710 37.775 38.460 0.042 0.000 0.991 91 Y HN 0.263 nan 8.280 nan 0.000 0.545 92 S N -0.005 115.814 115.700 0.199 0.000 2.575 92 S HA 0.047 4.518 4.470 0.002 0.000 0.215 92 S C 0.940 175.609 174.600 0.114 0.000 0.966 92 S CA -0.577 57.722 58.200 0.166 0.000 0.911 92 S CB -0.379 62.944 63.200 0.205 0.000 0.780 92 S HN 0.303 nan 8.310 nan 0.000 0.514 93 R N 2.032 122.585 120.500 0.087 0.000 2.458 93 R HA 0.368 4.710 4.340 0.002 0.000 0.303 93 R C 0.843 177.195 176.300 0.086 0.000 1.013 93 R CA 0.821 56.962 56.100 0.069 0.000 1.026 93 R CB -0.585 29.733 30.300 0.030 0.000 0.948 93 R HN 0.471 nan 8.270 nan 0.000 0.417 94 A N 3.171 126.050 122.820 0.099 0.000 2.799 94 A HA -0.219 4.102 4.320 0.002 0.000 0.287 94 A C 1.225 178.884 177.584 0.125 0.000 1.484 94 A CA 1.295 53.405 52.037 0.122 0.000 0.813 94 A CB -2.099 16.971 19.000 0.117 0.000 1.009 94 A HN 1.026 nan 8.150 nan 0.000 0.545 95 G N -1.240 107.627 108.800 0.112 0.000 2.492 95 G HA2 0.219 4.180 3.960 0.002 0.000 0.214 95 G HA3 0.219 4.180 3.960 0.002 0.000 0.214 95 G C 0.717 175.677 174.900 0.100 0.000 1.147 95 G CA 0.730 45.898 45.100 0.113 0.000 0.809 95 G HN 0.739 nan 8.290 nan 0.000 0.533 96 R N 0.550 121.095 120.500 0.076 0.000 2.312 96 R HA 0.399 4.740 4.340 0.002 0.000 0.311 96 R C -0.076 176.269 176.300 0.075 0.000 1.004 96 R CA -0.611 55.510 56.100 0.036 0.000 0.902 96 R CB 0.628 30.925 30.300 -0.005 0.000 1.073 96 R HN -0.004 nan 8.270 nan 0.000 0.457 97 R N 3.627 124.144 120.500 0.028 0.000 4.496 97 R HA 0.072 4.413 4.340 0.002 0.000 0.211 97 R C -0.452 175.828 176.300 -0.034 0.000 1.738 97 R CA -0.147 55.990 56.100 0.063 0.000 1.528 97 R CB -0.379 29.898 30.300 -0.038 0.000 1.414 97 R HN 0.595 nan 8.270 nan 0.000 0.812 98 N N 1.239 120.005 118.700 0.110 0.000 2.482 98 N HA 0.020 4.762 4.740 0.002 0.000 0.242 98 N C -0.747 174.951 175.510 0.314 0.000 1.100 98 N CA -0.299 52.813 53.050 0.105 0.000 0.946 98 N CB 0.579 39.127 38.487 0.101 0.000 1.227 98 N HN 0.036 nan 8.380 nan 0.000 0.508 99 Y N 2.333 122.617 120.300 -0.028 0.000 2.411 99 Y HA 0.127 4.679 4.550 0.002 0.000 0.333 99 Y C 0.250 176.191 175.900 0.069 0.000 1.186 99 Y CA -0.938 57.154 58.100 -0.014 0.000 1.381 99 Y CB 0.157 38.485 38.460 -0.220 0.000 1.273 99 Y HN 0.492 nan 8.280 nan 0.000 0.546 100 Y N 0.583 121.009 120.300 0.211 0.000 2.597 100 Y HA 0.695 5.246 4.550 0.002 0.000 0.340 100 Y C -1.623 174.469 175.900 0.321 0.000 1.097 100 Y CA -1.980 56.283 58.100 0.273 0.000 1.037 100 Y CB 0.896 39.452 38.460 0.159 0.000 1.305 100 Y HN 0.235 nan 8.280 nan 0.000 0.463 101 I N 2.637 123.420 120.570 0.356 0.000 2.336 101 I HA 0.803 4.974 4.170 0.002 0.000 0.292 101 I C 0.396 176.603 176.117 0.151 0.000 0.991 101 I CA -0.206 61.166 61.300 0.120 0.000 1.227 101 I CB 0.711 38.765 38.000 0.090 0.000 1.366 101 I HN 0.985 nan 8.210 nan 0.000 0.466 102 G N 3.871 112.697 108.800 0.044 0.000 2.338 102 G HA2 0.246 4.207 3.960 0.002 0.000 0.295 102 G HA3 0.246 4.207 3.960 0.002 0.000 0.295 102 G C -1.272 173.643 174.900 0.025 0.000 1.461 102 G CA -0.655 44.500 45.100 0.093 0.000 0.817 102 G HN 0.351 nan 8.290 nan 0.000 0.556 103 T N 2.154 116.710 114.554 0.004 0.000 2.794 103 T HA 0.471 4.822 4.350 0.002 0.000 0.304 103 T C 0.494 175.176 174.700 -0.030 0.000 0.973 103 T CA 0.031 62.124 62.100 -0.011 0.000 0.972 103 T CB 0.424 69.285 68.868 -0.011 0.000 0.952 103 T HN 0.560 nan 8.240 nan 0.000 0.509 104 T N 2.817 117.388 114.554 0.030 0.000 2.870 104 T HA 0.444 4.795 4.350 0.002 0.000 0.300 104 T C 1.527 176.258 174.700 0.051 0.000 0.989 104 T CA 0.515 62.641 62.100 0.043 0.000 1.139 104 T CB 0.737 69.707 68.868 0.171 0.000 0.920 104 T HN 0.894 nan 8.240 nan 0.000 0.537 105 G N 1.542 110.375 108.800 0.055 0.000 2.213 105 G HA2 -0.290 3.672 3.960 0.002 0.000 0.226 105 G HA3 -0.290 3.672 3.960 0.002 0.000 0.226 105 G C 0.790 175.922 174.900 0.387 0.000 0.992 105 G CA 0.671 45.962 45.100 0.320 0.000 0.632 105 G HN 1.179 nan 8.290 nan 0.000 0.511 106 V N -2.094 117.880 119.914 0.100 0.000 3.103 106 V HA 0.456 4.578 4.120 0.002 0.000 0.229 106 V C 1.415 177.540 176.094 0.052 0.000 1.304 106 V CA 1.797 64.202 62.300 0.175 0.000 1.298 106 V CB 0.275 32.156 31.823 0.097 0.000 1.093 106 V HN 0.654 nan 8.190 nan 0.000 0.489 107 N N 1.022 119.570 118.700 -0.254 0.000 2.360 107 N HA 0.497 5.238 4.740 0.002 0.000 0.211 107 N C 0.303 175.433 175.510 -0.633 0.000 1.147 107 N CA 0.641 53.548 53.050 -0.239 0.000 0.866 107 N CB 1.084 39.535 38.487 -0.061 0.000 1.206 107 N HN 0.798 nan 8.380 nan 0.000 0.478 108 A N -0.420 121.909 122.820 -0.817 0.000 2.374 108 A HA 0.668 4.989 4.320 0.002 0.000 0.317 108 A C -1.287 175.724 177.584 -0.956 0.000 1.094 108 A CA -0.634 51.012 52.037 -0.652 0.000 0.765 108 A CB 0.691 19.678 19.000 -0.020 0.000 1.268 108 A HN 0.295 nan 8.150 nan 0.000 0.438 109 F N 1.182 121.120 119.950 -0.021 0.000 2.880 109 F HA 0.155 4.683 4.527 0.002 0.000 0.328 109 F C 1.384 177.185 175.800 0.001 0.000 1.146 109 F CA -0.124 57.903 58.000 0.045 0.000 1.135 109 F CB 0.046 39.087 39.000 0.068 0.000 1.151 109 F HN 0.321 nan 8.300 nan 0.000 0.523 110 V N 0.425 120.245 119.914 -0.156 0.000 2.282 110 V HA -0.308 3.814 4.120 0.002 0.000 0.249 110 V C 2.425 178.550 176.094 0.052 0.000 1.057 110 V CA 2.854 65.056 62.300 -0.162 0.000 1.032 110 V CB -1.072 30.325 31.823 -0.710 0.000 0.645 110 V HN 0.573 nan 8.190 nan 0.000 0.447 111 T N -2.890 111.747 114.554 0.138 0.000 3.160 111 T HA 0.167 4.518 4.350 0.002 0.000 0.257 111 T C 0.554 175.301 174.700 0.079 0.000 1.147 111 T CA 0.275 62.469 62.100 0.157 0.000 1.064 111 T CB -0.317 68.678 68.868 0.211 0.000 0.949 111 T HN 0.298 nan 8.240 nan 0.000 0.526 112 M N 2.242 121.869 119.600 0.046 0.000 2.291 112 M HA 0.376 4.857 4.480 0.002 0.000 0.324 112 M C 0.123 176.309 176.300 -0.191 0.000 1.148 112 M CA -0.735 54.473 55.300 -0.155 0.000 1.104 112 M CB 0.728 33.102 32.600 -0.376 0.000 1.483 112 M HN -0.044 nan 8.290 nan 0.000 0.467 113 N N 1.799 120.311 118.700 -0.313 0.000 2.518 113 N HA 0.383 5.125 4.740 0.002 0.000 0.254 113 N C -2.122 173.210 175.510 -0.297 0.000 0.979 113 N CA -0.219 52.726 53.050 -0.174 0.000 0.930 113 N CB 0.382 38.811 38.487 -0.097 0.000 1.152 113 N HN 0.374 nan 8.380 nan 0.000 0.505 114 F N 1.228 121.152 119.950 -0.043 0.000 2.436 114 F HA 0.506 5.034 4.527 0.002 0.000 0.340 114 F C 1.044 176.824 175.800 -0.034 0.000 1.113 114 F CA -0.495 57.463 58.000 -0.070 0.000 1.022 114 F CB 2.173 41.084 39.000 -0.149 0.000 1.128 114 F HN 0.227 nan 8.300 nan 0.000 0.466 115 T N -0.132 114.504 114.554 0.137 0.000 2.894 115 T HA 0.303 4.654 4.350 0.002 0.000 0.309 115 T C 0.359 175.129 174.700 0.116 0.000 1.208 115 T CA -0.404 61.752 62.100 0.095 0.000 1.016 115 T CB 1.313 70.201 68.868 0.033 0.000 1.192 115 T HN 0.571 nan 8.240 nan 0.000 0.491 116 S N 1.959 117.750 115.700 0.152 0.000 2.593 116 S HA 0.137 4.608 4.470 0.002 0.000 0.217 116 S C 0.612 175.389 174.600 0.296 0.000 0.966 116 S CA 0.632 58.987 58.200 0.259 0.000 0.914 116 S CB -0.593 62.900 63.200 0.488 0.000 0.776 116 S HN 0.945 nan 8.310 nan 0.000 0.523 117 D N 1.254 121.758 120.400 0.173 0.000 2.859 117 D HA -0.212 4.430 4.640 0.002 0.000 0.215 117 D C -1.052 175.400 176.300 0.254 0.000 1.253 117 D CA 0.303 54.391 54.000 0.147 0.000 0.673 117 D CB -1.765 39.088 40.800 0.088 0.000 0.941 117 D HN 0.290 nan 8.370 nan 0.000 0.394 118 F N 1.287 121.231 119.950 -0.010 0.000 2.602 118 F HA 0.129 4.658 4.527 0.002 0.000 0.385 118 F C 1.482 177.275 175.800 -0.012 0.000 1.063 118 F CA 0.125 58.117 58.000 -0.014 0.000 1.233 118 F CB 0.388 39.361 39.000 -0.046 0.000 1.067 118 F HN 0.171 nan 8.300 nan 0.000 0.564 119 Q N 1.962 121.811 119.800 0.083 0.000 2.252 119 Q HA 0.158 4.499 4.340 0.002 0.000 0.256 119 Q C 1.377 177.377 176.000 0.000 0.000 1.020 119 Q CA -0.596 55.230 55.803 0.038 0.000 0.913 119 Q CB 0.729 29.478 28.738 0.018 0.000 1.286 119 Q HN 0.697 nan 8.270 nan 0.000 0.480 120 E N 1.109 121.310 120.200 0.002 0.000 2.114 120 E HA -0.270 4.081 4.350 0.002 0.000 0.199 120 E C 1.529 178.106 176.600 -0.039 0.000 1.008 120 E CA 2.157 58.546 56.400 -0.019 0.000 0.810 120 E CB 0.135 29.830 29.700 -0.009 0.000 0.739 120 E HN 0.555 nan 8.360 nan 0.000 0.456 121 K N 0.080 120.483 120.400 0.006 0.000 2.152 121 K HA -0.207 4.114 4.320 0.002 0.000 0.206 121 K C 1.095 177.710 176.600 0.025 0.000 1.048 121 K CA 1.850 58.197 56.287 0.099 0.000 0.933 121 K CB -0.068 32.500 32.500 0.114 0.000 0.721 121 K HN 0.137 nan 8.250 nan 0.000 0.447 122 D N 0.959 121.258 120.400 -0.169 0.000 2.277 122 D HA -0.033 4.608 4.640 0.002 0.000 0.208 122 D C 1.991 178.067 176.300 -0.373 0.000 0.962 122 D CA 0.598 54.342 54.000 -0.427 0.000 0.865 122 D CB 0.116 40.300 40.800 -1.026 0.000 0.939 122 D HN 0.247 nan 8.370 nan 0.000 0.510 123 I N 0.728 121.180 120.570 -0.196 0.000 2.480 123 I HA -0.111 4.060 4.170 0.002 0.000 0.251 123 I C 2.379 178.391 176.117 -0.175 0.000 1.124 123 I CA 0.572 61.819 61.300 -0.088 0.000 1.444 123 I CB -0.603 37.383 38.000 -0.023 0.000 1.098 123 I HN -0.123 nan 8.210 nan 0.000 0.428 124 V N -0.120 119.612 119.914 -0.304 0.000 2.649 124 V HA -0.125 3.997 4.120 0.002 0.000 0.248 124 V C 1.699 177.281 176.094 -0.853 0.000 1.054 124 V CA 1.467 63.401 62.300 -0.609 0.000 1.073 124 V CB -0.422 30.926 31.823 -0.792 0.000 0.699 124 V HN 0.195 nan 8.190 nan 0.000 0.463 125 F N -0.134 119.772 119.950 -0.073 0.000 2.706 125 F HA 0.621 5.149 4.527 0.002 0.000 0.313 125 F C 1.160 176.918 175.800 -0.070 0.000 1.096 125 F CA 0.168 58.130 58.000 -0.064 0.000 1.219 125 F CB 0.304 39.265 39.000 -0.066 0.000 1.051 125 F HN 0.186 nan 8.300 nan 0.000 0.568 126 G N 0.178 108.971 108.800 -0.012 0.000 2.712 126 G HA2 0.133 4.094 3.960 0.002 0.000 0.686 126 G HA3 0.133 4.094 3.960 0.002 0.000 0.686 126 G C 0.507 175.354 174.900 -0.088 0.000 1.181 126 G CA -0.583 44.507 45.100 -0.018 0.000 0.762 126 G HN 0.531 nan 8.290 nan 0.000 0.641 127 G N -0.579 108.183 108.800 -0.064 0.000 3.434 127 G HA2 0.402 4.363 3.960 0.002 0.000 0.258 127 G HA3 0.402 4.363 3.960 0.002 0.000 0.258 127 G C 0.810 175.812 174.900 0.170 0.000 1.128 127 G CA 1.129 46.189 45.100 -0.067 0.000 0.792 127 G HN 0.610 nan 8.290 nan 0.000 0.539 128 D N 1.205 121.680 120.400 0.124 0.000 2.144 128 D HA -0.045 4.597 4.640 0.002 0.000 0.200 128 D C 2.256 178.586 176.300 0.050 0.000 0.978 128 D CA 0.800 54.861 54.000 0.102 0.000 0.833 128 D CB 0.212 41.056 40.800 0.073 0.000 0.961 128 D HN 0.285 nan 8.370 nan 0.000 0.470 129 K N 0.620 121.037 120.400 0.029 0.000 2.155 129 K HA -0.078 4.244 4.320 0.002 0.000 0.203 129 K C 2.057 178.661 176.600 0.008 0.000 1.052 129 K CA 0.545 56.837 56.287 0.008 0.000 0.948 129 K CB 0.116 32.614 32.500 -0.003 0.000 0.728 129 K HN 0.009 nan 8.250 nan 0.000 0.448 130 K N 1.435 121.846 120.400 0.018 0.000 2.097 130 K HA -0.053 4.268 4.320 0.002 0.000 0.205 130 K C 2.098 178.724 176.600 0.044 0.000 1.050 130 K CA 0.630 56.934 56.287 0.029 0.000 0.938 130 K CB 0.039 32.552 32.500 0.021 0.000 0.718 130 K HN 0.090 nan 8.250 nan 0.000 0.442 131 L N 0.586 121.839 121.223 0.050 0.000 2.046 131 L HA -0.179 4.162 4.340 0.002 0.000 0.208 131 L C 2.367 179.194 176.870 -0.072 0.000 1.077 131 L CA 1.540 56.341 54.840 -0.065 0.000 0.747 131 L CB -0.494 41.465 42.059 -0.167 0.000 0.896 131 L HN 0.299 nan 8.230 nan 0.000 0.432 132 A N -0.044 122.752 122.820 -0.040 0.000 1.877 132 A HA -0.286 4.036 4.320 0.002 0.000 0.216 132 A C 2.300 179.865 177.584 -0.031 0.000 1.186 132 A CA 2.013 54.026 52.037 -0.040 0.000 0.620 132 A CB -0.437 18.549 19.000 -0.024 0.000 0.822 132 A HN 0.371 nan 8.150 nan 0.000 0.443 133 K N -0.243 120.147 120.400 -0.016 0.000 2.097 133 K HA -0.130 4.191 4.320 0.002 0.000 0.206 133 K C 1.845 178.442 176.600 -0.005 0.000 1.049 133 K CA 1.605 57.887 56.287 -0.008 0.000 0.933 133 K CB -0.363 32.137 32.500 -0.001 0.000 0.717 133 K HN 0.491 nan 8.250 nan 0.000 0.442 134 L N -0.637 120.583 121.223 -0.005 0.000 2.217 134 L HA 0.074 4.416 4.340 0.002 0.000 0.211 134 L C 1.704 178.557 176.870 -0.029 0.000 1.107 134 L CA 1.395 56.236 54.840 0.002 0.000 0.783 134 L CB -0.331 41.737 42.059 0.014 0.000 0.919 134 L HN 0.117 nan 8.230 nan 0.000 0.442 135 I N 0.389 120.921 120.570 -0.063 0.000 2.286 135 I HA -0.221 3.951 4.170 0.002 0.000 0.248 135 I C 2.043 178.128 176.117 -0.054 0.000 1.115 135 I CA 1.201 62.449 61.300 -0.087 0.000 1.392 135 I CB -0.487 37.451 38.000 -0.104 0.000 1.065 135 I HN 0.326 nan 8.210 nan 0.000 0.418 136 D N 0.889 121.269 120.400 -0.033 0.000 2.084 136 D HA -0.190 4.451 4.640 0.002 0.000 0.194 136 D C 2.065 178.362 176.300 -0.005 0.000 0.990 136 D CA 1.348 55.336 54.000 -0.019 0.000 0.826 136 D CB -0.291 40.501 40.800 -0.014 0.000 0.971 136 D HN 0.391 nan 8.370 nan 0.000 0.453 137 E N 0.307 120.514 120.200 0.011 0.000 2.085 137 E HA -0.132 4.219 4.350 0.002 0.000 0.194 137 E C 2.297 178.946 176.600 0.082 0.000 0.994 137 E CA 0.629 57.052 56.400 0.038 0.000 0.801 137 E CB 0.033 29.767 29.700 0.057 0.000 0.743 137 E HN 0.065 nan 8.360 nan 0.000 0.453 138 V N 1.199 121.163 119.914 0.083 0.000 2.407 138 V HA -0.242 3.879 4.120 0.002 0.000 0.248 138 V C 2.228 178.388 176.094 0.109 0.000 1.055 138 V CA 1.885 64.268 62.300 0.139 0.000 1.049 138 V CB -0.363 31.399 31.823 -0.101 0.000 0.662 138 V HN 0.172 nan 8.190 nan 0.000 0.455 139 E N 0.135 120.344 120.200 0.016 0.000 2.107 139 E HA -0.130 4.222 4.350 0.002 0.000 0.191 139 E C 2.287 178.888 176.600 0.003 0.000 0.982 139 E CA 1.633 58.033 56.400 -0.000 0.000 0.809 139 E CB -0.456 29.231 29.700 -0.022 0.000 0.756 139 E HN 0.631 nan 8.360 nan 0.000 0.459 140 T N 0.571 115.121 114.554 -0.007 0.000 2.643 140 T HA -0.101 4.250 4.350 0.002 0.000 0.264 140 T C 1.765 176.408 174.700 -0.095 0.000 1.045 140 T CA 1.346 63.425 62.100 -0.036 0.000 1.155 140 T CB -0.236 68.614 68.868 -0.032 0.000 0.863 140 T HN 0.132 nan 8.240 nan 0.000 0.420 141 L N -0.789 120.334 121.223 -0.167 0.000 2.492 141 L HA 0.232 4.573 4.340 0.002 0.000 0.223 141 L C 0.018 176.386 176.870 -0.837 0.000 1.132 141 L CA 0.577 55.120 54.840 -0.495 0.000 0.850 141 L CB 0.043 41.721 42.059 -0.635 0.000 0.966 141 L HN 0.197 nan 8.230 nan 0.000 0.454 142 F N -0.521 119.444 119.950 0.024 0.000 2.646 142 F HA 0.302 4.830 4.527 0.002 0.000 0.336 142 F C -1.538 174.273 175.800 0.018 0.000 1.437 142 F CA -1.793 56.236 58.000 0.048 0.000 1.142 142 F CB 0.278 39.234 39.000 -0.074 0.000 1.530 142 F HN -0.190 nan 8.300 nan 0.000 0.591 143 P HA -0.175 nan 4.420 nan 0.000 0.215 143 P C 1.227 178.598 177.300 0.119 0.000 1.153 143 P CA 1.454 64.603 63.100 0.082 0.000 0.853 143 P CB 0.440 32.169 31.700 0.048 0.000 0.788 144 L N -0.204 121.134 121.223 0.191 0.000 2.675 144 L HA 0.024 4.365 4.340 0.002 0.000 0.239 144 L C 0.955 177.984 176.870 0.264 0.000 1.151 144 L CA -0.280 54.680 54.840 0.199 0.000 0.905 144 L CB -1.628 40.545 42.059 0.191 0.000 1.057 144 L HN 0.097 nan 8.230 nan 0.000 0.435 145 N N -0.236 118.598 118.700 0.222 0.000 2.508 145 N HA 0.018 4.760 4.740 0.002 0.000 0.264 145 N C 0.500 176.043 175.510 0.055 0.000 1.216 145 N CA -0.236 52.887 53.050 0.121 0.000 0.943 145 N CB 0.688 38.990 38.487 -0.307 0.000 1.113 145 N HN -0.133 nan 8.380 nan 0.000 0.447 146 K N 0.564 121.000 120.400 0.059 0.000 2.372 146 K HA 0.292 4.613 4.320 0.002 0.000 0.200 146 K C 0.083 176.679 176.600 -0.007 0.000 1.022 146 K CA -0.030 56.278 56.287 0.035 0.000 1.125 146 K CB 0.144 32.681 32.500 0.063 0.000 0.855 146 K HN 0.836 nan 8.250 nan 0.000 0.524 147 G N 0.667 109.424 108.800 -0.071 0.000 2.347 147 G HA2 0.256 4.218 3.960 0.002 0.000 0.303 147 G HA3 0.256 4.218 3.960 0.002 0.000 0.303 147 G C -1.685 173.096 174.900 -0.199 0.000 1.481 147 G CA -0.965 44.081 45.100 -0.091 0.000 0.914 147 G HN 0.007 nan 8.290 nan 0.000 0.638 148 I N 0.867 121.308 120.570 -0.215 0.000 2.647 148 I HA 0.615 4.786 4.170 0.002 0.000 0.295 148 I C 0.197 176.137 176.117 -0.294 0.000 1.078 148 I CA -0.955 60.160 61.300 -0.308 0.000 1.048 148 I CB 2.527 40.342 38.000 -0.310 0.000 1.239 148 I HN 0.740 nan 8.210 nan 0.000 0.421 149 S N 4.526 120.042 115.700 -0.307 0.000 2.536 149 S HA 0.728 5.199 4.470 0.002 0.000 0.298 149 S C -0.838 173.546 174.600 -0.361 0.000 1.083 149 S CA -0.765 57.180 58.200 -0.424 0.000 0.995 149 S CB 2.219 65.064 63.200 -0.591 0.000 1.058 149 S HN 0.501 nan 8.310 nan 0.000 0.488 150 V N 2.212 121.888 119.914 -0.395 0.000 2.378 150 V HA 0.512 4.633 4.120 0.002 0.000 0.288 150 V C -1.214 174.733 176.094 -0.245 0.000 1.016 150 V CA -0.435 61.695 62.300 -0.283 0.000 0.840 150 V CB 1.387 33.019 31.823 -0.317 0.000 0.994 150 V HN 0.930 nan 8.190 nan 0.000 0.431 151 Q N 4.562 124.278 119.800 -0.140 0.000 2.390 151 Q HA 0.435 4.777 4.340 0.002 0.000 0.249 151 Q C 0.046 176.063 176.000 0.028 0.000 0.996 151 Q CA -0.016 55.735 55.803 -0.087 0.000 0.899 151 Q CB 1.489 30.204 28.738 -0.038 0.000 1.216 151 Q HN 0.836 nan 8.270 nan 0.000 0.465 152 S N 2.463 118.148 115.700 -0.024 0.000 2.548 152 S HA 0.179 4.651 4.470 0.002 0.000 0.277 152 S C 0.280 174.832 174.600 -0.080 0.000 1.315 152 S CA -0.379 57.784 58.200 -0.061 0.000 1.050 152 S CB 1.001 64.146 63.200 -0.092 0.000 0.918 152 S HN 0.391 nan 8.310 nan 0.000 0.497 153 E N 0.539 120.617 120.200 -0.205 0.000 2.254 153 E HA 0.268 4.619 4.350 0.002 0.000 0.258 153 E C 0.771 177.250 176.600 -0.202 0.000 1.033 153 E CA -0.912 55.329 56.400 -0.264 0.000 0.893 153 E CB 0.510 29.971 29.700 -0.398 0.000 1.204 153 E HN 0.595 nan 8.360 nan 0.000 0.425 154 C N 1.115 120.340 119.300 -0.126 0.000 2.353 154 C HA -0.182 4.279 4.460 0.002 0.000 0.272 154 C C -0.433 174.651 174.990 0.156 0.000 1.165 154 C CA 1.191 60.263 59.018 0.089 0.000 1.786 154 C CB -1.753 26.070 27.740 0.138 0.000 2.071 154 C HN 0.720 nan 8.230 nan 0.000 0.451 155 P HA -0.070 nan 4.420 nan 0.000 0.218 155 P C 1.501 178.825 177.300 0.040 0.000 1.149 155 P CA 1.153 64.269 63.100 0.026 0.000 0.817 155 P CB -0.240 31.461 31.700 0.001 0.000 0.785 156 I N -0.535 120.005 120.570 -0.050 0.000 2.163 156 I HA -0.152 4.019 4.170 0.002 0.000 0.243 156 I C 2.370 178.525 176.117 0.064 0.000 1.085 156 I CA 2.209 63.488 61.300 -0.035 0.000 1.347 156 I CB -2.204 35.711 38.000 -0.143 0.000 1.044 156 I HN 0.031 nan 8.210 nan 0.000 0.408 157 G N 0.633 109.512 108.800 0.131 0.000 2.408 157 G HA2 -0.059 3.902 3.960 0.002 0.000 0.215 157 G HA3 -0.059 3.902 3.960 0.002 0.000 0.215 157 G C 1.850 176.842 174.900 0.155 0.000 1.156 157 G CA 0.088 45.300 45.100 0.188 0.000 0.793 157 G HN 0.310 nan 8.290 nan 0.000 0.535 158 L N 1.004 122.312 121.223 0.141 0.000 2.083 158 L HA 0.002 4.343 4.340 0.002 0.000 0.209 158 L C 2.657 179.524 176.870 -0.006 0.000 1.083 158 L CA 1.008 55.838 54.840 -0.017 0.000 0.752 158 L CB -0.398 41.615 42.059 -0.078 0.000 0.899 158 L HN 0.394 nan 8.230 nan 0.000 0.433 159 I N -3.046 117.541 120.570 0.028 0.000 3.684 159 I HA 0.280 4.452 4.170 0.002 0.000 0.304 159 I C 1.199 177.329 176.117 0.022 0.000 1.278 159 I CA 0.593 61.902 61.300 0.015 0.000 1.272 159 I CB -0.465 37.554 38.000 0.033 0.000 1.029 159 I HN 0.277 nan 8.210 nan 0.000 0.458 160 G N 1.641 110.463 108.800 0.036 0.000 2.149 160 G HA2 -0.220 3.741 3.960 0.002 0.000 0.235 160 G HA3 -0.220 3.741 3.960 0.002 0.000 0.235 160 G C -0.404 174.526 174.900 0.050 0.000 1.018 160 G CA 0.129 45.252 45.100 0.037 0.000 0.728 160 G HN 0.502 nan 8.290 nan 0.000 0.508 161 D N 0.026 120.467 120.400 0.068 0.000 2.344 161 D HA 0.457 5.098 4.640 0.002 0.000 0.244 161 D C -0.013 176.329 176.300 0.070 0.000 1.134 161 D CA -0.096 53.953 54.000 0.082 0.000 0.930 161 D CB 0.986 41.861 40.800 0.126 0.000 1.175 161 D HN 0.087 nan 8.370 nan 0.000 0.437 162 D N 0.918 121.358 120.400 0.067 0.000 2.460 162 D HA 0.124 4.765 4.640 0.002 0.000 0.268 162 D C 1.182 177.507 176.300 0.042 0.000 1.153 162 D CA -0.445 53.586 54.000 0.051 0.000 0.929 162 D CB -0.066 40.761 40.800 0.045 0.000 1.015 162 D HN 0.388 nan 8.370 nan 0.000 0.502 163 I N -0.831 119.761 120.570 0.036 0.000 2.916 163 I HA -0.049 4.122 4.170 0.002 0.000 0.267 163 I C 1.133 177.204 176.117 -0.078 0.000 1.263 163 I CA 0.620 61.913 61.300 -0.012 0.000 1.471 163 I CB 0.148 38.141 38.000 -0.011 0.000 1.089 163 I HN -0.042 nan 8.210 nan 0.000 0.468 164 E N 1.799 121.980 120.200 -0.032 0.000 2.072 164 E HA -0.095 4.256 4.350 0.002 0.000 0.190 164 E C 2.389 179.011 176.600 0.037 0.000 0.982 164 E CA 1.587 57.986 56.400 -0.003 0.000 0.803 164 E CB -0.267 29.507 29.700 0.123 0.000 0.755 164 E HN 0.506 nan 8.360 nan 0.000 0.453 165 S N 0.147 115.872 115.700 0.043 0.000 2.356 165 S HA -0.145 4.327 4.470 0.002 0.000 0.223 165 S C 2.176 176.784 174.600 0.013 0.000 1.032 165 S CA 1.214 59.440 58.200 0.043 0.000 1.005 165 S CB -0.415 62.807 63.200 0.036 0.000 0.867 165 S HN 0.050 nan 8.310 nan 0.000 0.449 166 V N 1.885 121.790 119.914 -0.016 0.000 2.295 166 V HA -0.183 3.939 4.120 0.002 0.000 0.246 166 V C 2.513 178.562 176.094 -0.076 0.000 1.049 166 V CA 1.994 64.269 62.300 -0.042 0.000 1.024 166 V CB -1.075 30.716 31.823 -0.054 0.000 0.648 166 V HN 0.428 nan 8.190 nan 0.000 0.447 167 S N 0.595 116.215 115.700 -0.134 0.000 2.353 167 S HA -0.266 4.205 4.470 0.002 0.000 0.222 167 S C 1.958 176.521 174.600 -0.062 0.000 1.035 167 S CA 2.213 60.296 58.200 -0.196 0.000 1.025 167 S CB -0.353 62.577 63.200 -0.451 0.000 0.902 167 S HN 0.847 nan 8.310 nan 0.000 0.440 168 K N 1.011 121.450 120.400 0.065 0.000 2.155 168 K HA 0.095 4.416 4.320 0.002 0.000 0.203 168 K C 1.786 178.433 176.600 0.078 0.000 1.052 168 K CA 0.843 57.227 56.287 0.162 0.000 0.948 168 K CB -0.516 32.132 32.500 0.246 0.000 0.728 168 K HN 0.131 nan 8.250 nan 0.000 0.448 169 V N 1.984 121.924 119.914 0.042 0.000 2.223 169 V HA -0.227 3.894 4.120 0.002 0.000 0.244 169 V C 2.258 178.357 176.094 0.009 0.000 1.045 169 V CA 1.840 64.155 62.300 0.024 0.000 1.000 169 V CB -0.383 31.448 31.823 0.013 0.000 0.635 169 V HN 0.336 nan 8.190 nan 0.000 0.445 170 K N 0.528 120.921 120.400 -0.011 0.000 2.097 170 K HA -0.102 4.219 4.320 0.002 0.000 0.206 170 K C 2.222 178.810 176.600 -0.019 0.000 1.049 170 K CA 1.537 57.810 56.287 -0.025 0.000 0.933 170 K CB -1.180 31.289 32.500 -0.051 0.000 0.717 170 K HN 0.550 nan 8.250 nan 0.000 0.442 171 G N 1.386 110.179 108.800 -0.012 0.000 2.440 171 G HA2 -0.255 3.707 3.960 0.002 0.000 0.218 171 G HA3 -0.255 3.707 3.960 0.002 0.000 0.218 171 G C 1.745 176.660 174.900 0.026 0.000 1.154 171 G CA 1.347 46.451 45.100 0.008 0.000 0.767 171 G HN 0.389 nan 8.290 nan 0.000 0.552 172 A N 0.742 123.584 122.820 0.035 0.000 1.858 172 A HA -0.048 4.273 4.320 0.002 0.000 0.216 172 A C 2.163 179.758 177.584 0.019 0.000 1.190 172 A CA 1.978 54.034 52.037 0.032 0.000 0.617 172 A CB -0.583 18.438 19.000 0.034 0.000 0.827 172 A HN 0.462 nan 8.150 nan 0.000 0.443 173 E N -0.399 119.808 120.200 0.011 0.000 2.267 173 E HA -0.141 4.210 4.350 0.002 0.000 0.197 173 E C 0.942 177.543 176.600 0.001 0.000 0.998 173 E CA 1.118 57.520 56.400 0.004 0.000 0.830 173 E CB -0.096 29.603 29.700 -0.001 0.000 0.751 173 E HN 0.645 nan 8.360 nan 0.000 0.491 174 L N -0.579 120.644 121.223 -0.000 0.000 3.135 174 L HA 0.224 4.566 4.340 0.002 0.000 0.279 174 L C 0.497 177.369 176.870 0.003 0.000 1.200 174 L CA -0.315 54.523 54.840 -0.003 0.000 1.016 174 L CB 0.719 42.769 42.059 -0.016 0.000 1.391 174 L HN -0.146 nan 8.230 nan 0.000 0.588 175 S N 1.061 116.768 115.700 0.011 0.000 3.521 175 S HA -0.229 4.242 4.470 0.002 0.000 0.362 175 S C 0.242 174.853 174.600 0.017 0.000 1.044 175 S CA 1.095 59.306 58.200 0.018 0.000 1.091 175 S CB -1.000 62.211 63.200 0.018 0.000 0.908 175 S HN 0.573 nan 8.310 nan 0.000 0.473 176 K N 0.750 121.156 120.400 0.010 0.000 2.378 176 K HA 0.425 4.747 4.320 0.002 0.000 0.252 176 K C -0.464 176.139 176.600 0.005 0.000 0.931 176 K CA -0.563 55.724 56.287 -0.001 0.000 0.794 176 K CB 1.224 33.707 32.500 -0.028 0.000 1.181 176 K HN 0.034 nan 8.250 nan 0.000 0.425 177 T N 4.669 119.232 114.554 0.016 0.000 2.784 177 T HA 0.230 4.581 4.350 0.002 0.000 0.291 177 T C 0.042 174.717 174.700 -0.041 0.000 0.942 177 T CA 0.133 62.254 62.100 0.036 0.000 1.161 177 T CB -0.336 68.570 68.868 0.064 0.000 0.885 177 T HN 0.358 nan 8.240 nan 0.000 0.534 178 I N 3.637 124.158 120.570 -0.080 0.000 2.418 178 I HA 0.328 4.500 4.170 0.002 0.000 0.287 178 I C -0.401 175.484 176.117 -0.387 0.000 1.008 178 I CA -1.084 60.084 61.300 -0.219 0.000 1.104 178 I CB 1.920 39.797 38.000 -0.205 0.000 1.264 178 I HN 0.267 nan 8.210 nan 0.000 0.438 179 V N 8.391 128.011 119.914 -0.490 0.000 2.350 179 V HA 0.317 4.439 4.120 0.002 0.000 0.276 179 V C -2.112 173.490 176.094 -0.820 0.000 1.028 179 V CA -1.677 60.167 62.300 -0.760 0.000 0.860 179 V CB 1.339 32.779 31.823 -0.639 0.000 0.990 179 V HN 0.546 nan 8.190 nan 0.000 0.453 180 P HA 0.310 nan 4.420 nan 0.000 0.287 180 P C -0.930 176.091 177.300 -0.466 0.000 1.281 180 P CA -0.169 62.567 63.100 -0.606 0.000 0.781 180 P CB 1.605 32.981 31.700 -0.540 0.000 0.903 181 V N 5.757 125.454 119.914 -0.362 0.000 2.487 181 V HA 0.348 4.470 4.120 0.002 0.000 0.298 181 V C 0.808 176.801 176.094 -0.169 0.000 1.028 181 V CA -0.658 61.480 62.300 -0.270 0.000 0.860 181 V CB 1.903 33.502 31.823 -0.372 0.000 0.991 181 V HN 0.366 nan 8.190 nan 0.000 0.427 182 R N 2.755 123.183 120.500 -0.120 0.000 4.390 182 R HA 0.187 4.529 4.340 0.002 0.000 0.229 182 R C 0.500 176.710 176.300 -0.151 0.000 1.674 182 R CA -0.194 55.836 56.100 -0.116 0.000 1.526 182 R CB -0.122 30.129 30.300 -0.083 0.000 1.418 182 R HN 0.920 nan 8.270 nan 0.000 0.790 183 C N -1.330 117.884 119.300 -0.142 0.000 2.294 183 C HA 0.358 4.819 4.460 0.002 0.000 0.348 183 C C 0.134 175.021 174.990 -0.171 0.000 1.355 183 C CA -1.169 57.765 59.018 -0.140 0.000 1.774 183 C CB -1.456 26.229 27.740 -0.091 0.000 2.259 183 C HN 0.319 nan 8.230 nan 0.000 0.570 184 E N 1.058 121.060 120.200 -0.330 0.000 2.465 184 E HA 0.347 4.698 4.350 0.002 0.000 0.260 184 E C 1.594 177.908 176.600 -0.476 0.000 0.980 184 E CA 0.875 56.994 56.400 -0.469 0.000 0.927 184 E CB 0.529 29.675 29.700 -0.922 0.000 0.934 184 E HN 0.583 nan 8.360 nan 0.000 0.459 185 G N 2.531 111.188 108.800 -0.238 0.000 2.516 185 G HA2 -0.281 3.680 3.960 0.002 0.000 0.221 185 G HA3 -0.281 3.680 3.960 0.002 0.000 0.221 185 G C 0.969 175.828 174.900 -0.069 0.000 1.107 185 G CA 0.977 46.013 45.100 -0.106 0.000 0.747 185 G HN 0.634 nan 8.290 nan 0.000 0.567 186 F N -0.119 119.818 119.950 -0.022 0.000 2.743 186 F HA 0.527 5.055 4.527 0.002 0.000 0.297 186 F C 1.084 176.871 175.800 -0.020 0.000 1.131 186 F CA -1.331 56.657 58.000 -0.021 0.000 1.426 186 F CB -0.217 38.767 39.000 -0.027 0.000 1.116 186 F HN -0.193 nan 8.300 nan 0.000 0.583 187 R N 1.647 122.014 120.500 -0.221 0.000 2.543 187 R HA 0.468 4.809 4.340 0.002 0.000 0.277 187 R C 0.872 177.143 176.300 -0.048 0.000 1.074 187 R CA 0.969 57.000 56.100 -0.114 0.000 1.076 187 R CB 0.153 30.296 30.300 -0.262 0.000 0.993 187 R HN 0.610 nan 8.270 nan 0.000 0.459 188 G N 0.586 109.383 108.800 -0.006 0.000 2.645 188 G HA2 -0.276 3.685 3.960 0.002 0.000 0.246 188 G HA3 -0.276 3.685 3.960 0.002 0.000 0.246 188 G C 0.225 175.135 174.900 0.017 0.000 1.322 188 G CA -0.219 44.878 45.100 -0.005 0.000 0.898 188 G HN 0.978 nan 8.290 nan 0.000 0.573 189 V N -3.325 116.599 119.914 0.018 0.000 3.432 189 V HA 0.718 4.839 4.120 0.002 0.000 0.298 189 V C 0.669 176.790 176.094 0.046 0.000 1.464 189 V CA 1.622 63.945 62.300 0.038 0.000 1.046 189 V CB -0.365 31.487 31.823 0.049 0.000 0.887 189 V HN 2.573 nan 8.190 nan 0.000 0.441 190 S N -1.058 114.647 115.700 0.009 0.000 2.669 190 S HA 0.327 4.798 4.470 0.002 0.000 0.266 190 S C 0.084 174.581 174.600 -0.171 0.000 1.149 190 S CA -0.082 58.112 58.200 -0.010 0.000 0.842 190 S CB 1.343 64.602 63.200 0.099 0.000 1.160 190 S HN 0.053 nan 8.310 nan 0.000 0.487 191 Q N 1.027 120.620 119.800 -0.345 0.000 2.234 191 Q HA 0.012 4.353 4.340 0.002 0.000 0.206 191 Q C 2.120 177.583 176.000 -0.895 0.000 0.980 191 Q CA 1.713 57.150 55.803 -0.611 0.000 0.869 191 Q CB -0.542 27.708 28.738 -0.813 0.000 0.912 191 Q HN 0.646 nan 8.270 nan 0.000 0.436 192 S N 0.241 115.452 115.700 -0.814 0.000 2.369 192 S HA -0.205 4.266 4.470 0.002 0.000 0.225 192 S C 1.682 176.118 174.600 -0.272 0.000 1.043 192 S CA 1.363 59.253 58.200 -0.516 0.000 1.074 192 S CB -0.340 62.890 63.200 0.049 0.000 0.962 192 S HN 0.401 nan 8.310 nan 0.000 0.433 193 L N 1.686 122.825 121.223 -0.140 0.000 2.191 193 L HA 0.080 4.422 4.340 0.002 0.000 0.212 193 L C 2.316 179.108 176.870 -0.130 0.000 1.103 193 L CA 1.931 56.721 54.840 -0.083 0.000 0.769 193 L CB -1.320 40.698 42.059 -0.069 0.000 0.908 193 L HN 0.422 nan 8.230 nan 0.000 0.438 194 G N -1.784 106.891 108.800 -0.208 0.000 2.442 194 G HA2 -0.299 3.662 3.960 0.002 0.000 0.219 194 G HA3 -0.299 3.662 3.960 0.002 0.000 0.219 194 G C 1.341 176.206 174.900 -0.058 0.000 1.141 194 G CA 1.153 46.156 45.100 -0.161 0.000 0.763 194 G HN 0.603 nan 8.290 nan 0.000 0.554 195 H N -1.414 117.609 119.070 -0.077 0.000 2.293 195 H HA -0.078 4.479 4.556 0.002 0.000 0.300 195 H C 2.307 177.622 175.328 -0.021 0.000 1.082 195 H CA 1.310 57.347 56.048 -0.018 0.000 1.308 195 H CB -0.231 29.563 29.762 0.054 0.000 1.375 195 H HN 0.512 nan 8.280 nan 0.000 0.495 196 H N 0.452 119.391 119.070 -0.218 0.000 2.321 196 H HA -0.120 4.438 4.556 0.002 0.000 0.300 196 H C 2.222 177.400 175.328 -0.250 0.000 1.087 196 H CA 1.260 56.948 56.048 -0.600 0.000 1.319 196 H CB 0.092 29.358 29.762 -0.826 0.000 1.379 196 H HN 0.227 nan 8.280 nan 0.000 0.501 197 I N 0.528 121.064 120.570 -0.056 0.000 2.208 197 I HA -0.277 3.894 4.170 0.002 0.000 0.245 197 I C 2.841 179.009 176.117 0.086 0.000 1.097 197 I CA 0.971 62.241 61.300 -0.049 0.000 1.363 197 I CB -0.361 37.598 38.000 -0.069 0.000 1.051 197 I HN 0.365 nan 8.210 nan 0.000 0.413 198 A N 0.695 123.614 122.820 0.166 0.000 1.898 198 A HA -0.202 4.119 4.320 0.002 0.000 0.216 198 A C 2.106 179.872 177.584 0.302 0.000 1.181 198 A CA 1.747 54.013 52.037 0.382 0.000 0.620 198 A CB -0.835 18.360 19.000 0.326 0.000 0.819 198 A HN 0.473 nan 8.150 nan 0.000 0.442 199 N N -0.085 118.726 118.700 0.185 0.000 2.166 199 N HA -0.145 4.596 4.740 0.002 0.000 0.186 199 N C 0.828 176.434 175.510 0.160 0.000 1.019 199 N CA 1.429 54.582 53.050 0.172 0.000 0.856 199 N CB -0.215 38.378 38.487 0.178 0.000 0.993 199 N HN 0.430 nan 8.380 nan 0.000 0.426 200 D N 0.996 121.476 120.400 0.133 0.000 2.178 200 D HA -0.042 4.599 4.640 0.002 0.000 0.202 200 D C 1.821 178.228 176.300 0.178 0.000 0.974 200 D CA 0.449 54.500 54.000 0.085 0.000 0.841 200 D CB -0.133 40.669 40.800 0.004 0.000 0.953 200 D HN 0.211 nan 8.370 nan 0.000 0.478 201 A N 0.659 123.650 122.820 0.285 0.000 1.969 201 A HA -0.085 4.237 4.320 0.002 0.000 0.218 201 A C 2.488 180.411 177.584 0.565 0.000 1.169 201 A CA 0.838 53.133 52.037 0.430 0.000 0.635 201 A CB -0.502 18.701 19.000 0.340 0.000 0.810 201 A HN 0.123 nan 8.150 nan 0.000 0.445 202 V N 0.178 120.396 119.914 0.507 0.000 2.270 202 V HA -0.249 3.873 4.120 0.002 0.000 0.245 202 V C 2.609 178.863 176.094 0.266 0.000 1.043 202 V CA 2.160 64.681 62.300 0.369 0.000 1.014 202 V CB -0.855 31.068 31.823 0.167 0.000 0.645 202 V HN 0.671 nan 8.190 nan 0.000 0.447 203 R N 0.218 120.812 120.500 0.157 0.000 2.103 203 R HA -0.233 4.108 4.340 0.002 0.000 0.242 203 R C 1.892 178.195 176.300 0.005 0.000 1.142 203 R CA 2.359 58.457 56.100 -0.003 0.000 0.960 203 R CB -0.351 29.804 30.300 -0.242 0.000 0.858 203 R HN 0.562 nan 8.270 nan 0.000 0.439 204 D N -1.707 118.708 120.400 0.026 0.000 2.271 204 D HA -0.090 4.551 4.640 0.002 0.000 0.206 204 D C 1.000 177.111 176.300 -0.315 0.000 0.967 204 D CA 0.938 54.832 54.000 -0.178 0.000 0.867 204 D CB -0.026 40.619 40.800 -0.257 0.000 0.960 204 D HN 0.393 nan 8.370 nan 0.000 0.509 205 W N -0.247 121.099 121.300 0.078 0.000 2.871 205 W HA 0.230 4.891 4.660 0.002 0.000 0.340 205 W C 1.538 178.111 176.519 0.091 0.000 1.058 205 W CA -0.116 57.270 57.345 0.068 0.000 1.633 205 W CB 0.596 30.081 29.460 0.041 0.000 1.067 205 W HN -0.252 nan 8.180 nan 0.000 0.554 206 V N -0.851 119.235 119.914 0.286 0.000 3.102 206 V HA -0.003 4.118 4.120 0.002 0.000 0.225 206 V C 1.539 177.726 176.094 0.154 0.000 1.301 206 V CA 0.229 62.654 62.300 0.208 0.000 1.308 206 V CB -0.531 31.419 31.823 0.212 0.000 1.129 206 V HN -0.117 nan 8.190 nan 0.000 0.502 207 L N 1.928 123.261 121.223 0.183 0.000 2.261 207 L HA 0.014 4.355 4.340 0.002 0.000 0.216 207 L C 1.962 178.965 176.870 0.221 0.000 1.114 207 L CA 2.358 57.329 54.840 0.219 0.000 0.777 207 L CB -0.740 41.510 42.059 0.318 0.000 0.910 207 L HN 0.351 nan 8.230 nan 0.000 0.440 208 G N -1.789 107.125 108.800 0.190 0.000 2.985 208 G HA2 -0.134 3.827 3.960 0.002 0.000 0.209 208 G HA3 -0.134 3.827 3.960 0.002 0.000 0.209 208 G C 1.577 176.550 174.900 0.122 0.000 1.165 208 G CA 0.171 45.382 45.100 0.185 0.000 0.776 208 G HN 0.335 nan 8.290 nan 0.000 0.541 209 K N 0.071 120.530 120.400 0.097 0.000 2.147 209 K HA -0.034 4.287 4.320 0.002 0.000 0.205 209 K C 1.978 178.614 176.600 0.060 0.000 1.049 209 K CA 0.670 57.000 56.287 0.072 0.000 0.936 209 K CB 0.047 32.589 32.500 0.070 0.000 0.722 209 K HN 0.030 nan 8.250 nan 0.000 0.446 210 R N 0.783 121.313 120.500 0.050 0.000 2.391 210 R HA 0.035 4.377 4.340 0.002 0.000 0.249 210 R C 0.451 176.778 176.300 0.046 0.000 0.957 210 R CA 0.201 56.322 56.100 0.035 0.000 1.093 210 R CB 0.114 30.414 30.300 0.000 0.000 1.156 210 R HN 0.215 nan 8.270 nan 0.000 0.526 211 D N 0.641 121.089 120.400 0.080 0.000 2.218 211 D HA -0.141 4.500 4.640 0.002 0.000 0.204 211 D C 0.444 176.795 176.300 0.085 0.000 0.976 211 D CA 1.133 55.200 54.000 0.111 0.000 0.853 211 D CB 0.262 41.156 40.800 0.156 0.000 0.939 211 D HN 0.373 nan 8.370 nan 0.000 0.481 212 E N 0.448 120.687 120.200 0.065 0.000 2.419 212 E HA 0.012 4.363 4.350 0.002 0.000 0.190 212 E C -0.066 176.565 176.600 0.052 0.000 1.040 212 E CA -0.129 56.304 56.400 0.055 0.000 0.900 212 E CB 0.471 30.198 29.700 0.046 0.000 1.054 212 E HN 0.188 nan 8.360 nan 0.000 0.462 213 D N 0.860 121.293 120.400 0.054 0.000 2.303 213 D HA 0.058 4.699 4.640 0.002 0.000 0.236 213 D C 0.607 176.948 176.300 0.068 0.000 1.068 213 D CA -0.105 53.930 54.000 0.058 0.000 0.830 213 D CB 1.454 42.290 40.800 0.059 0.000 1.109 213 D HN -0.036 nan 8.370 nan 0.000 0.496 214 T N -0.131 114.463 114.554 0.067 0.000 3.069 214 T HA 0.005 4.356 4.350 0.002 0.000 0.252 214 T C 1.507 176.256 174.700 0.082 0.000 1.053 214 T CA -0.039 62.103 62.100 0.070 0.000 0.964 214 T CB 0.057 68.955 68.868 0.051 0.000 1.005 214 T HN 0.310 nan 8.240 nan 0.000 0.532 215 T N 1.563 116.171 114.554 0.091 0.000 3.077 215 T HA 0.099 4.450 4.350 0.002 0.000 0.269 215 T C 0.026 174.801 174.700 0.125 0.000 1.146 215 T CA 0.285 62.439 62.100 0.090 0.000 1.091 215 T CB -0.510 68.411 68.868 0.088 0.000 0.892 215 T HN 0.492 nan 8.240 nan 0.000 0.533 216 F N 2.564 122.523 119.950 0.015 0.000 2.405 216 F HA 0.575 5.103 4.527 0.002 0.000 0.355 216 F C 0.227 176.037 175.800 0.016 0.000 1.121 216 F CA -1.947 56.063 58.000 0.017 0.000 1.112 216 F CB 0.492 39.502 39.000 0.015 0.000 1.126 216 F HN -0.017 nan 8.300 nan 0.000 0.481 217 A N 5.274 127.749 122.820 -0.575 0.000 2.545 217 A HA 0.331 4.652 4.320 0.002 0.000 0.297 217 A C 0.367 177.677 177.584 -0.456 0.000 1.340 217 A CA 0.029 51.832 52.037 -0.389 0.000 1.016 217 A CB -0.554 18.256 19.000 -0.317 0.000 1.122 217 A HN 0.713 nan 8.150 nan 0.000 0.537 218 S N 1.552 117.201 115.700 -0.086 0.000 2.603 218 S HA 0.610 5.081 4.470 0.002 0.000 0.268 218 S C 0.676 175.289 174.600 0.021 0.000 1.317 218 S CA 0.332 58.591 58.200 0.098 0.000 1.012 218 S CB 0.499 63.818 63.200 0.199 0.000 0.926 218 S HN 1.195 nan 8.310 nan 0.000 0.539 219 T N 0.289 114.880 114.554 0.062 0.000 2.916 219 T HA 0.577 4.928 4.350 0.002 0.000 0.292 219 T C -2.255 172.433 174.700 -0.021 0.000 1.064 219 T CA -1.761 60.352 62.100 0.021 0.000 1.011 219 T CB 1.579 70.493 68.868 0.076 0.000 1.152 219 T HN 0.410 nan 8.240 nan 0.000 0.510 220 P HA -0.078 nan 4.420 nan 0.000 0.227 220 P C -0.014 177.128 177.300 -0.264 0.000 1.145 220 P CA 0.974 63.878 63.100 -0.326 0.000 0.769 220 P CB -0.219 31.134 31.700 -0.578 0.000 0.769 221 Y N -0.744 119.662 120.300 0.176 0.000 2.660 221 Y HA 0.279 4.830 4.550 0.002 0.000 0.254 221 Y C 0.318 176.270 175.900 0.085 0.000 1.176 221 Y CA -1.365 56.793 58.100 0.097 0.000 1.195 221 Y CB -0.452 37.966 38.460 -0.069 0.000 1.190 221 Y HN -0.152 nan 8.280 nan 0.000 0.535 222 D N 0.672 121.218 120.400 0.244 0.000 2.390 222 D HA 0.315 4.956 4.640 0.002 0.000 0.249 222 D C -0.278 176.146 176.300 0.206 0.000 1.144 222 D CA 0.429 54.555 54.000 0.211 0.000 0.880 222 D CB 1.908 42.842 40.800 0.224 0.000 1.182 222 D HN -0.035 nan 8.370 nan 0.000 0.451 223 V N 0.637 120.644 119.914 0.155 0.000 3.160 223 V HA 0.873 4.994 4.120 0.002 0.000 0.310 223 V C -1.312 174.835 176.094 0.089 0.000 1.181 223 V CA -0.673 61.708 62.300 0.135 0.000 1.047 223 V CB 2.213 34.107 31.823 0.119 0.000 1.068 223 V HN 0.674 nan 8.190 nan 0.000 0.441 224 A N 2.706 125.563 122.820 0.062 0.000 2.486 224 A HA 0.827 5.149 4.320 0.002 0.000 0.300 224 A C -1.320 176.285 177.584 0.035 0.000 1.048 224 A CA -0.530 51.544 52.037 0.061 0.000 0.696 224 A CB 1.369 20.397 19.000 0.047 0.000 1.278 224 A HN 0.667 nan 8.150 nan 0.000 0.405 225 I N 3.089 123.699 120.570 0.067 0.000 2.325 225 I HA 0.282 4.453 4.170 0.002 0.000 0.291 225 I C -0.662 175.467 176.117 0.020 0.000 1.019 225 I CA -0.393 60.943 61.300 0.059 0.000 1.302 225 I CB 0.931 38.971 38.000 0.066 0.000 1.401 225 I HN 0.359 nan 8.210 nan 0.000 0.485 226 I N 5.716 126.252 120.570 -0.056 0.000 2.328 226 I HA 0.330 4.501 4.170 0.002 0.000 0.287 226 I C 0.900 176.925 176.117 -0.152 0.000 1.012 226 I CA -0.381 60.796 61.300 -0.204 0.000 1.195 226 I CB 0.550 38.347 38.000 -0.338 0.000 1.350 226 I HN 0.906 nan 8.210 nan 0.000 0.464 227 G N 4.616 113.277 108.800 -0.232 0.000 2.325 227 G HA2 -0.172 3.789 3.960 0.002 0.000 0.248 227 G HA3 -0.172 3.789 3.960 0.002 0.000 0.248 227 G C -0.388 174.296 174.900 -0.361 0.000 1.108 227 G CA -0.377 44.510 45.100 -0.355 0.000 0.881 227 G HN 0.635 nan 8.290 nan 0.000 0.494 228 D N -0.771 119.328 120.400 -0.503 0.000 2.620 228 D HA 0.463 5.104 4.640 0.002 0.000 0.252 228 D C 0.485 176.513 176.300 -0.452 0.000 1.207 228 D CA -0.721 53.125 54.000 -0.257 0.000 0.884 228 D CB 0.861 41.611 40.800 -0.084 0.000 1.262 228 D HN 0.107 nan 8.370 nan 0.000 0.552 229 Y N 2.253 122.538 120.300 -0.025 0.000 2.461 229 Y HA 0.117 4.668 4.550 0.002 0.000 0.277 229 Y C 1.188 177.008 175.900 -0.133 0.000 1.182 229 Y CA -0.364 57.693 58.100 -0.072 0.000 1.276 229 Y CB -0.123 38.294 38.460 -0.071 0.000 1.087 229 Y HN 0.406 nan 8.280 nan 0.000 0.519 230 N N 0.749 119.384 118.700 -0.108 0.000 2.740 230 N HA -0.177 4.564 4.740 0.002 0.000 0.248 230 N C -1.086 174.248 175.510 -0.293 0.000 1.062 230 N CA 0.162 53.052 53.050 -0.266 0.000 0.704 230 N CB -1.119 37.118 38.487 -0.417 0.000 0.968 230 N HN 0.092 nan 8.380 nan 0.000 0.547 231 I N 0.554 120.977 120.570 -0.245 0.000 2.578 231 I HA 0.182 4.354 4.170 0.002 0.000 0.286 231 I C 1.905 177.804 176.117 -0.363 0.000 1.126 231 I CA 1.332 62.421 61.300 -0.352 0.000 1.380 231 I CB -0.516 37.215 38.000 -0.449 0.000 1.408 231 I HN 0.538 nan 8.210 nan 0.000 0.532 232 G N 5.215 113.565 108.800 -0.749 0.000 2.179 232 G HA2 -0.165 3.796 3.960 0.002 0.000 0.257 232 G HA3 -0.165 3.796 3.960 0.002 0.000 0.257 232 G C 0.998 175.716 174.900 -0.304 0.000 1.010 232 G CA 0.510 45.175 45.100 -0.724 0.000 0.736 232 G HN 1.584 nan 8.290 nan 0.000 0.513 233 G N -1.093 107.515 108.800 -0.320 0.000 2.176 233 G HA2 -0.251 3.711 3.960 0.002 0.000 0.232 233 G HA3 -0.251 3.711 3.960 0.002 0.000 0.232 233 G C 0.842 175.705 174.900 -0.063 0.000 0.986 233 G CA 0.851 45.907 45.100 -0.075 0.000 0.643 233 G HN 0.612 nan 8.290 nan 0.000 0.522 234 D N 0.632 120.949 120.400 -0.138 0.000 2.220 234 D HA -0.116 4.525 4.640 0.002 0.000 0.198 234 D C 2.541 178.831 176.300 -0.016 0.000 1.001 234 D CA 1.927 55.824 54.000 -0.170 0.000 0.875 234 D CB -0.377 40.089 40.800 -0.557 0.000 0.921 234 D HN 0.801 nan 8.370 nan 0.000 0.454 235 A N 0.230 122.990 122.820 -0.100 0.000 1.898 235 A HA -0.109 4.212 4.320 0.002 0.000 0.214 235 A C 2.022 179.691 177.584 0.141 0.000 1.183 235 A CA 0.616 52.648 52.037 -0.008 0.000 0.622 235 A CB -0.792 18.132 19.000 -0.127 0.000 0.824 235 A HN 0.195 nan 8.150 nan 0.000 0.444 236 W N 1.287 122.650 121.300 0.105 0.000 2.358 236 W HA -0.144 4.517 4.660 0.002 0.000 0.303 236 W C 2.727 179.303 176.519 0.096 0.000 1.208 236 W CA 1.538 58.945 57.345 0.102 0.000 1.274 236 W CB -1.434 28.093 29.460 0.111 0.000 1.138 236 W HN 0.543 nan 8.180 nan 0.000 0.515 237 S N -1.189 114.697 115.700 0.310 0.000 2.522 237 S HA -0.043 4.428 4.470 0.002 0.000 0.227 237 S C 1.761 176.434 174.600 0.122 0.000 0.986 237 S CA 1.135 59.452 58.200 0.195 0.000 0.929 237 S CB -0.337 62.960 63.200 0.161 0.000 0.769 237 S HN 0.020 nan 8.310 nan 0.000 0.529 238 S N 2.020 117.837 115.700 0.196 0.000 2.356 238 S HA 0.085 4.556 4.470 0.002 0.000 0.219 238 S C 1.898 176.654 174.600 0.261 0.000 1.036 238 S CA 0.638 59.013 58.200 0.290 0.000 0.965 238 S CB -0.379 63.046 63.200 0.375 0.000 0.864 238 S HN 0.653 nan 8.310 nan 0.000 0.471 239 R N 1.444 122.073 120.500 0.215 0.000 2.094 239 R HA -0.119 4.222 4.340 0.002 0.000 0.239 239 R C 2.318 178.700 176.300 0.136 0.000 1.137 239 R CA 1.819 58.022 56.100 0.172 0.000 0.943 239 R CB -0.713 29.709 30.300 0.204 0.000 0.850 239 R HN 0.432 nan 8.270 nan 0.000 0.433 240 I N 1.008 121.661 120.570 0.138 0.000 2.185 240 I HA -0.354 3.817 4.170 0.002 0.000 0.246 240 I C 2.001 178.173 176.117 0.091 0.000 1.088 240 I CA 1.644 63.011 61.300 0.112 0.000 1.347 240 I CB -0.053 38.024 38.000 0.129 0.000 1.041 240 I HN 0.353 nan 8.210 nan 0.000 0.415 241 L N 0.080 121.333 121.223 0.050 0.000 2.093 241 L HA -0.225 4.116 4.340 0.002 0.000 0.208 241 L C 2.520 179.415 176.870 0.042 0.000 1.085 241 L CA 1.124 55.969 54.840 0.008 0.000 0.755 241 L CB -0.641 41.294 42.059 -0.207 0.000 0.904 241 L HN 0.329 nan 8.230 nan 0.000 0.435 242 L N -0.479 120.785 121.223 0.069 0.000 2.056 242 L HA -0.179 4.162 4.340 0.002 0.000 0.207 242 L C 2.521 179.384 176.870 -0.012 0.000 1.078 242 L CA 1.347 56.204 54.840 0.028 0.000 0.749 242 L CB -0.513 41.556 42.059 0.017 0.000 0.901 242 L HN 0.297 nan 8.230 nan 0.000 0.433 243 E N 0.052 120.261 120.200 0.015 0.000 2.152 243 E HA -0.171 4.180 4.350 0.002 0.000 0.192 243 E C 1.875 178.473 176.600 -0.004 0.000 0.983 243 E CA 0.644 57.044 56.400 -0.001 0.000 0.818 243 E CB 0.027 29.744 29.700 0.027 0.000 0.758 243 E HN 0.521 nan 8.360 nan 0.000 0.467 244 E N 0.327 120.546 120.200 0.032 0.000 2.409 244 E HA -0.104 4.248 4.350 0.002 0.000 0.198 244 E C 1.735 178.346 176.600 0.017 0.000 1.024 244 E CA 0.421 56.848 56.400 0.045 0.000 0.861 244 E CB 0.022 29.793 29.700 0.118 0.000 0.788 244 E HN 0.191 nan 8.360 nan 0.000 0.521 245 M N -1.127 118.465 119.600 -0.013 0.000 2.502 245 M HA 0.083 4.564 4.480 0.002 0.000 0.243 245 M C 0.992 177.205 176.300 -0.143 0.000 1.130 245 M CA 0.951 56.219 55.300 -0.053 0.000 1.055 245 M CB 0.757 33.331 32.600 -0.043 0.000 1.457 245 M HN 0.209 nan 8.290 nan 0.000 0.488 246 G N 0.577 109.282 108.800 -0.157 0.000 2.231 246 G HA2 -0.163 3.798 3.960 0.002 0.000 0.206 246 G HA3 -0.163 3.798 3.960 0.002 0.000 0.206 246 G C -0.010 174.721 174.900 -0.283 0.000 0.996 246 G CA -0.167 44.782 45.100 -0.252 0.000 0.645 246 G HN 0.381 nan 8.290 nan 0.000 0.498 247 L N 0.453 121.533 121.223 -0.238 0.000 2.453 247 L HA 0.615 4.956 4.340 0.002 0.000 0.261 247 L C 0.987 177.826 176.870 -0.051 0.000 1.179 247 L CA -0.696 54.029 54.840 -0.191 0.000 0.813 247 L CB 0.877 42.784 42.059 -0.253 0.000 1.110 247 L HN 0.216 nan 8.230 nan 0.000 0.466 248 R N 0.896 121.413 120.500 0.028 0.000 2.310 248 R HA 0.375 4.716 4.340 0.002 0.000 0.324 248 R C -1.416 174.939 176.300 0.091 0.000 0.955 248 R CA -0.552 55.592 56.100 0.073 0.000 0.830 248 R CB 0.963 31.333 30.300 0.117 0.000 1.154 248 R HN 0.664 nan 8.270 nan 0.000 0.458 249 C N 5.251 124.601 119.300 0.084 0.000 2.289 249 C HA 0.143 4.604 4.460 0.002 0.000 0.340 249 C C 1.808 176.866 174.990 0.113 0.000 1.152 249 C CA -0.760 58.313 59.018 0.092 0.000 1.650 249 C CB -0.026 27.768 27.740 0.089 0.000 2.203 249 C HN 0.763 nan 8.230 nan 0.000 0.511 250 V N 2.627 122.610 119.914 0.116 0.000 2.591 250 V HA 0.055 4.176 4.120 0.002 0.000 0.249 250 V C 1.267 177.408 176.094 0.078 0.000 1.053 250 V CA 1.754 64.115 62.300 0.101 0.000 1.068 250 V CB -0.442 31.413 31.823 0.054 0.000 0.689 250 V HN 0.966 nan 8.190 nan 0.000 0.462 251 A N -0.788 122.100 122.820 0.113 0.000 2.572 251 A HA 0.733 5.054 4.320 0.002 0.000 0.295 251 A C -0.919 176.782 177.584 0.196 0.000 1.072 251 A CA -0.496 51.631 52.037 0.150 0.000 0.691 251 A CB 1.768 20.922 19.000 0.256 0.000 1.291 251 A HN 0.193 nan 8.150 nan 0.000 0.404 252 Q N 0.672 120.565 119.800 0.154 0.000 2.320 252 Q HA 0.355 4.696 4.340 0.002 0.000 0.268 252 Q C -1.946 174.108 176.000 0.090 0.000 1.023 252 Q CA -0.250 55.629 55.803 0.126 0.000 0.744 252 Q CB 1.419 30.206 28.738 0.082 0.000 1.246 252 Q HN 0.692 nan 8.270 nan 0.000 0.462 253 W N 2.983 124.180 121.300 -0.172 0.000 2.357 253 W HA 0.224 4.885 4.660 0.002 0.000 0.317 253 W C 0.867 177.165 176.519 -0.367 0.000 1.101 253 W CA 0.143 57.349 57.345 -0.233 0.000 1.380 253 W CB 0.691 30.015 29.460 -0.228 0.000 1.266 253 W HN 0.889 nan 8.180 nan 0.000 0.419 254 S N 1.257 116.839 115.700 -0.197 0.000 1.405 254 S HA -0.189 4.282 4.470 0.002 0.000 0.246 254 S C 1.002 175.553 174.600 -0.082 0.000 0.678 254 S CA 1.386 59.495 58.200 -0.152 0.000 1.182 254 S CB -1.594 61.602 63.200 -0.007 0.000 1.355 254 S HN 0.773 nan 8.310 nan 0.000 0.503 255 G N 1.626 110.353 108.800 -0.121 0.000 2.346 255 G HA2 0.376 4.337 3.960 0.002 0.000 0.275 255 G HA3 0.376 4.337 3.960 0.002 0.000 0.275 255 G C 0.140 175.009 174.900 -0.052 0.000 1.190 255 G CA 0.999 46.051 45.100 -0.079 0.000 1.015 255 G HN 0.765 nan 8.290 nan 0.000 0.441 256 D N 0.573 120.993 120.400 0.033 0.000 2.837 256 D HA -0.131 4.510 4.640 0.002 0.000 0.230 256 D C 1.008 177.382 176.300 0.124 0.000 1.152 256 D CA 1.487 55.584 54.000 0.163 0.000 0.736 256 D CB -1.109 39.843 40.800 0.253 0.000 1.084 256 D HN 0.795 nan 8.370 nan 0.000 0.429 257 G N -0.265 108.554 108.800 0.031 0.000 2.415 257 G HA2 0.529 4.490 3.960 0.002 0.000 0.269 257 G HA3 0.529 4.490 3.960 0.002 0.000 0.269 257 G C 0.049 174.936 174.900 -0.023 0.000 1.209 257 G CA 0.195 45.272 45.100 -0.039 0.000 0.835 257 G HN 0.526 nan 8.290 nan 0.000 0.534 258 S N 1.469 117.144 115.700 -0.041 0.000 2.621 258 S HA 0.392 4.863 4.470 0.002 0.000 0.302 258 S C 1.228 175.778 174.600 -0.084 0.000 1.093 258 S CA -0.836 57.352 58.200 -0.020 0.000 1.017 258 S CB 1.951 65.162 63.200 0.017 0.000 1.077 258 S HN 0.575 nan 8.310 nan 0.000 0.517 259 I N 1.505 122.047 120.570 -0.046 0.000 2.315 259 I HA -0.188 3.984 4.170 0.002 0.000 0.248 259 I C 2.351 178.424 176.117 -0.073 0.000 1.117 259 I CA 1.773 63.032 61.300 -0.067 0.000 1.404 259 I CB -0.293 37.710 38.000 0.005 0.000 1.071 259 I HN 0.900 nan 8.210 nan 0.000 0.419 260 S N 0.106 115.784 115.700 -0.036 0.000 2.368 260 S HA -0.228 4.243 4.470 0.002 0.000 0.225 260 S C 1.778 176.340 174.600 -0.064 0.000 1.030 260 S CA 1.310 59.492 58.200 -0.030 0.000 0.999 260 S CB -0.662 62.540 63.200 0.003 0.000 0.844 260 S HN 0.567 nan 8.310 nan 0.000 0.459 261 E N 1.185 121.343 120.200 -0.071 0.000 2.085 261 E HA -0.106 4.245 4.350 0.002 0.000 0.194 261 E C 2.035 178.566 176.600 -0.115 0.000 0.994 261 E CA 1.600 57.952 56.400 -0.079 0.000 0.801 261 E CB -0.429 29.232 29.700 -0.065 0.000 0.743 261 E HN 0.611 nan 8.360 nan 0.000 0.453 262 I N 1.053 121.472 120.570 -0.252 0.000 2.202 262 I HA -0.251 3.920 4.170 0.002 0.000 0.242 262 I C 2.186 178.258 176.117 -0.076 0.000 1.091 262 I CA 1.207 62.286 61.300 -0.368 0.000 1.368 262 I CB -0.281 37.303 38.000 -0.694 0.000 1.058 262 I HN 0.082 nan 8.210 nan 0.000 0.410 263 E N 0.489 120.644 120.200 -0.074 0.000 2.153 263 E HA -0.219 4.132 4.350 0.002 0.000 0.194 263 E C 1.986 178.543 176.600 -0.071 0.000 0.988 263 E CA 1.034 57.416 56.400 -0.030 0.000 0.811 263 E CB -0.053 29.634 29.700 -0.021 0.000 0.746 263 E HN 0.301 nan 8.360 nan 0.000 0.466 264 L N 0.409 121.557 121.223 -0.126 0.000 2.395 264 L HA -0.060 4.281 4.340 0.002 0.000 0.218 264 L C 2.146 178.882 176.870 -0.223 0.000 1.130 264 L CA 1.335 56.012 54.840 -0.271 0.000 0.826 264 L CB -0.390 41.425 42.059 -0.407 0.000 0.941 264 L HN 0.050 nan 8.230 nan 0.000 0.451 265 T N -0.172 114.362 114.554 -0.033 0.000 2.803 265 T HA -0.124 4.227 4.350 0.002 0.000 0.269 265 T C -0.496 174.143 174.700 -0.102 0.000 1.052 265 T CA 1.103 63.230 62.100 0.045 0.000 1.136 265 T CB -0.989 68.101 68.868 0.370 0.000 0.864 265 T HN 0.202 nan 8.240 nan 0.000 0.467 266 P HA -0.104 nan 4.420 nan 0.000 0.225 266 P C 1.043 178.122 177.300 -0.367 0.000 1.141 266 P CA 1.077 63.846 63.100 -0.553 0.000 0.774 266 P CB -0.027 31.236 31.700 -0.728 0.000 0.760 267 K N -1.581 118.688 120.400 -0.219 0.000 2.358 267 K HA 0.141 4.462 4.320 0.002 0.000 0.200 267 K C 0.888 177.482 176.600 -0.010 0.000 1.030 267 K CA 0.105 56.333 56.287 -0.098 0.000 1.097 267 K CB -0.265 32.177 32.500 -0.096 0.000 0.862 267 K HN 0.142 nan 8.250 nan 0.000 0.534 268 V N -0.525 119.372 119.914 -0.029 0.000 3.264 268 V HA 0.236 4.357 4.120 0.002 0.000 0.304 268 V C 1.105 177.233 176.094 0.057 0.000 1.086 268 V CA -0.448 61.878 62.300 0.044 0.000 1.090 268 V CB 1.008 32.854 31.823 0.039 0.000 1.112 268 V HN -0.099 nan 8.190 nan 0.000 0.472 269 K N 0.346 120.803 120.400 0.096 0.000 2.284 269 K HA 0.410 4.731 4.320 0.002 0.000 0.198 269 K C -0.138 176.491 176.600 0.047 0.000 1.048 269 K CA 0.546 56.874 56.287 0.069 0.000 0.987 269 K CB 0.193 32.754 32.500 0.101 0.000 0.800 269 K HN 0.638 nan 8.250 nan 0.000 0.486 270 L N 0.298 121.578 121.223 0.095 0.000 2.506 270 L HA 0.328 4.669 4.340 0.002 0.000 0.257 270 L C -1.926 174.998 176.870 0.091 0.000 0.964 270 L CA -0.458 54.431 54.840 0.082 0.000 0.836 270 L CB 2.139 44.258 42.059 0.099 0.000 1.384 270 L HN -0.070 nan 8.230 nan 0.000 0.410 271 N N 3.774 122.528 118.700 0.091 0.000 2.408 271 N HA 0.644 5.385 4.740 0.002 0.000 0.280 271 N C -1.387 174.191 175.510 0.114 0.000 1.002 271 N CA -0.507 52.578 53.050 0.058 0.000 0.907 271 N CB 1.492 39.988 38.487 0.016 0.000 1.161 271 N HN 0.476 nan 8.380 nan 0.000 0.488 272 L N 3.039 124.315 121.223 0.088 0.000 2.264 272 L HA 0.410 4.751 4.340 0.002 0.000 0.287 272 L C -0.649 176.404 176.870 0.305 0.000 1.039 272 L CA -0.872 54.071 54.840 0.171 0.000 0.829 272 L CB 0.927 42.966 42.059 -0.034 0.000 1.211 272 L HN 0.238 nan 8.230 nan 0.000 0.427 273 V N 3.264 123.358 119.914 0.299 0.000 2.368 273 V HA 0.087 4.208 4.120 0.002 0.000 0.266 273 V C 0.918 176.986 176.094 -0.042 0.000 1.045 273 V CA -0.223 62.157 62.300 0.132 0.000 0.899 273 V CB 1.022 32.958 31.823 0.188 0.000 1.006 273 V HN 0.750 nan 8.190 nan 0.000 0.470 274 H N 3.206 122.092 119.070 -0.307 0.000 2.337 274 H HA 0.061 4.618 4.556 0.002 0.000 0.311 274 H C 1.100 176.250 175.328 -0.296 0.000 1.054 274 H CA 0.957 56.652 56.048 -0.589 0.000 1.385 274 H CB 0.780 30.204 29.762 -0.563 0.000 1.437 274 H HN 0.616 nan 8.280 nan 0.000 0.553 275 C N 2.445 121.655 119.300 -0.149 0.000 2.227 275 C HA 0.084 4.546 4.460 0.002 0.000 0.333 275 C C 1.565 176.475 174.990 -0.133 0.000 1.145 275 C CA -0.694 58.243 59.018 -0.136 0.000 1.643 275 C CB -1.970 25.801 27.740 0.051 0.000 2.185 275 C HN 0.604 nan 8.230 nan 0.000 0.497 276 Y N 4.726 124.868 120.300 -0.264 0.000 2.133 276 Y HA -0.059 4.492 4.550 0.002 0.000 0.287 276 Y C 2.436 178.146 175.900 -0.316 0.000 1.134 276 Y CA 2.168 60.120 58.100 -0.247 0.000 1.133 276 Y CB -0.332 38.015 38.460 -0.188 0.000 0.987 276 Y HN 0.675 nan 8.280 nan 0.000 0.502 277 R N 1.023 121.352 120.500 -0.284 0.000 2.103 277 R HA -0.161 4.181 4.340 0.002 0.000 0.242 277 R C 2.251 178.330 176.300 -0.368 0.000 1.142 277 R CA 2.273 58.155 56.100 -0.363 0.000 0.960 277 R CB -1.158 29.109 30.300 -0.054 0.000 0.858 277 R HN 0.554 nan 8.270 nan 0.000 0.439 278 S N -1.648 113.848 115.700 -0.340 0.000 2.439 278 S HA 0.054 4.525 4.470 0.002 0.000 0.224 278 S C 1.712 176.183 174.600 -0.215 0.000 1.029 278 S CA 0.650 58.598 58.200 -0.421 0.000 0.946 278 S CB 0.139 62.940 63.200 -0.666 0.000 0.797 278 S HN 0.162 nan 8.310 nan 0.000 0.504 279 M N 2.484 121.893 119.600 -0.317 0.000 2.367 279 M HA 0.238 4.719 4.480 0.002 0.000 0.256 279 M C 1.492 177.467 176.300 -0.542 0.000 1.091 279 M CA 0.469 55.581 55.300 -0.313 0.000 1.049 279 M CB -1.012 31.432 32.600 -0.260 0.000 1.406 279 M HN 0.605 nan 8.290 nan 0.000 0.498 280 N N 0.576 118.766 118.700 -0.851 0.000 2.192 280 N HA -0.234 4.507 4.740 0.002 0.000 0.188 280 N C 1.328 176.320 175.510 -0.863 0.000 1.013 280 N CA 1.808 54.223 53.050 -1.059 0.000 0.863 280 N CB -0.757 36.900 38.487 -1.383 0.000 0.990 280 N HN 0.250 nan 8.380 nan 0.000 0.430 281 Y N -0.021 119.979 120.300 -0.501 0.000 2.097 281 Y HA -0.066 4.485 4.550 0.002 0.000 0.282 281 Y C 2.255 178.000 175.900 -0.259 0.000 1.152 281 Y CA 0.747 58.628 58.100 -0.364 0.000 1.136 281 Y CB -0.683 37.562 38.460 -0.359 0.000 0.975 281 Y HN 0.147 nan 8.280 nan 0.000 0.498 282 I N -0.586 119.926 120.570 -0.097 0.000 2.617 282 I HA -0.186 3.985 4.170 0.002 0.000 0.256 282 I C 2.131 178.108 176.117 -0.233 0.000 1.167 282 I CA 1.022 62.264 61.300 -0.096 0.000 1.469 282 I CB -0.500 37.439 38.000 -0.103 0.000 1.098 282 I HN 0.046 nan 8.210 nan 0.000 0.436 283 S N 0.776 116.174 115.700 -0.503 0.000 2.343 283 S HA -0.187 4.284 4.470 0.002 0.000 0.219 283 S C 2.049 176.272 174.600 -0.629 0.000 1.033 283 S CA 1.404 59.184 58.200 -0.699 0.000 1.014 283 S CB -0.417 62.061 63.200 -1.203 0.000 0.915 283 S HN 0.437 nan 8.310 nan 0.000 0.435 284 R N 0.544 120.653 120.500 -0.652 0.000 2.117 284 R HA -0.162 4.179 4.340 0.002 0.000 0.243 284 R C 2.432 178.708 176.300 -0.040 0.000 1.143 284 R CA 1.618 57.598 56.100 -0.201 0.000 0.968 284 R CB -0.669 29.572 30.300 -0.098 0.000 0.863 284 R HN 0.587 nan 8.270 nan 0.000 0.444 285 H N 0.717 119.721 119.070 -0.110 0.000 2.353 285 H HA -0.054 4.504 4.556 0.002 0.000 0.300 285 H C 1.946 177.254 175.328 -0.034 0.000 1.090 285 H CA 1.657 57.675 56.048 -0.050 0.000 1.327 285 H CB 0.027 29.773 29.762 -0.026 0.000 1.383 285 H HN 0.181 nan 8.280 nan 0.000 0.508 286 M N 0.443 119.975 119.600 -0.113 0.000 2.229 286 M HA -0.132 4.349 4.480 0.002 0.000 0.264 286 M C 2.453 178.757 176.300 0.007 0.000 1.063 286 M CA 1.525 56.819 55.300 -0.009 0.000 1.114 286 M CB -0.094 32.556 32.600 0.083 0.000 1.387 286 M HN 0.388 nan 8.290 nan 0.000 0.420 287 E N 0.483 120.694 120.200 0.018 0.000 2.031 287 E HA -0.209 4.142 4.350 0.002 0.000 0.193 287 E C 1.764 178.354 176.600 -0.017 0.000 0.994 287 E CA 1.205 57.652 56.400 0.079 0.000 0.800 287 E CB 0.133 29.963 29.700 0.218 0.000 0.752 287 E HN 0.442 nan 8.360 nan 0.000 0.447 288 E N 0.538 120.689 120.200 -0.083 0.000 2.031 288 E HA -0.202 4.149 4.350 0.002 0.000 0.193 288 E C 2.102 178.573 176.600 -0.215 0.000 0.994 288 E CA 0.996 57.327 56.400 -0.115 0.000 0.800 288 E CB -0.180 29.463 29.700 -0.095 0.000 0.752 288 E HN 0.192 nan 8.360 nan 0.000 0.447 289 K N -0.385 119.751 120.400 -0.439 0.000 2.296 289 K HA -0.085 4.236 4.320 0.002 0.000 0.200 289 K C 0.690 176.894 176.600 -0.660 0.000 1.048 289 K CA 0.792 56.704 56.287 -0.625 0.000 0.966 289 K CB 0.257 32.157 32.500 -1.000 0.000 0.754 289 K HN 0.104 nan 8.250 nan 0.000 0.466 290 Y N -1.505 118.727 120.300 -0.112 0.000 2.563 290 Y HA 0.272 4.823 4.550 0.002 0.000 0.250 290 Y C 1.030 176.909 175.900 -0.034 0.000 1.126 290 Y CA -0.067 58.000 58.100 -0.056 0.000 1.231 290 Y CB 1.197 39.631 38.460 -0.043 0.000 1.288 290 Y HN 0.169 nan 8.280 nan 0.000 0.537 291 G N 1.242 110.085 108.800 0.070 0.000 2.196 291 G HA2 -0.343 3.618 3.960 0.002 0.000 0.268 291 G HA3 -0.343 3.618 3.960 0.002 0.000 0.268 291 G C 0.222 175.164 174.900 0.069 0.000 0.975 291 G CA 0.385 45.518 45.100 0.054 0.000 0.648 291 G HN 0.359 nan 8.290 nan 0.000 0.538 292 I N 3.466 124.099 120.570 0.106 0.000 2.505 292 I HA 0.214 4.385 4.170 0.002 0.000 0.287 292 I C -1.132 175.052 176.117 0.112 0.000 1.104 292 I CA -1.732 59.621 61.300 0.088 0.000 1.387 292 I CB 0.649 38.700 38.000 0.084 0.000 1.404 292 I HN -0.003 nan 8.210 nan 0.000 0.528 293 P HA 0.120 nan 4.420 nan 0.000 0.274 293 P C -1.290 176.102 177.300 0.155 0.000 1.237 293 P CA -0.249 62.892 63.100 0.067 0.000 0.793 293 P CB 0.817 32.488 31.700 -0.048 0.000 0.977 294 W N 2.271 123.546 121.300 -0.041 0.000 2.950 294 W HA 0.681 5.342 4.660 0.002 0.000 0.340 294 W C -1.363 175.145 176.519 -0.018 0.000 1.139 294 W CA -1.379 55.944 57.345 -0.036 0.000 1.188 294 W CB 0.946 30.374 29.460 -0.053 0.000 1.426 294 W HN 0.368 nan 8.180 nan 0.000 0.531 295 M N 0.528 120.195 119.600 0.112 0.000 2.531 295 M HA 0.616 5.097 4.480 0.002 0.000 0.286 295 M C -1.447 174.958 176.300 0.176 0.000 1.232 295 M CA -0.686 54.602 55.300 -0.019 0.000 0.877 295 M CB 3.296 35.873 32.600 -0.037 0.000 1.726 295 M HN 0.432 nan 8.290 nan 0.000 0.463 296 E N 1.313 121.580 120.200 0.112 0.000 2.248 296 E HA 0.647 4.999 4.350 0.002 0.000 0.272 296 E C -1.679 175.028 176.600 0.178 0.000 1.008 296 E CA -0.457 56.034 56.400 0.152 0.000 0.856 296 E CB 1.615 31.353 29.700 0.064 0.000 1.120 296 E HN 0.633 nan 8.360 nan 0.000 0.397 297 Y N -0.364 119.937 120.300 0.002 0.000 2.829 297 Y HA 0.632 5.183 4.550 0.002 0.000 0.322 297 Y C -1.369 174.539 175.900 0.013 0.000 1.357 297 Y CA -1.434 56.640 58.100 -0.043 0.000 1.081 297 Y CB 1.252 39.617 38.460 -0.160 0.000 1.339 297 Y HN 0.345 nan 8.280 nan 0.000 0.469 298 N N 0.251 118.989 118.700 0.064 0.000 2.336 298 N HA 0.388 5.129 4.740 0.002 0.000 0.290 298 N C -2.251 173.442 175.510 0.304 0.000 1.058 298 N CA -0.837 52.203 53.050 -0.016 0.000 0.865 298 N CB 1.301 39.576 38.487 -0.354 0.000 1.581 298 N HN 0.640 nan 8.380 nan 0.000 0.480 299 F N 3.013 122.935 119.950 -0.046 0.000 2.623 299 F HA 0.468 4.996 4.527 0.002 0.000 0.361 299 F C -1.161 174.357 175.800 -0.470 0.000 1.469 299 F CA -0.761 57.047 58.000 -0.320 0.000 1.126 299 F CB -0.324 38.410 39.000 -0.444 0.000 1.221 299 F HN 0.290 nan 8.300 nan 0.000 0.536 300 F N 0.566 120.476 119.950 -0.066 0.000 2.500 300 F HA 0.641 5.169 4.527 0.002 0.000 0.349 300 F C 0.516 176.137 175.800 -0.300 0.000 1.127 300 F CA -1.061 56.843 58.000 -0.159 0.000 0.998 300 F CB 1.479 40.410 39.000 -0.115 0.000 1.237 300 F HN 0.299 nan 8.300 nan 0.000 0.439 301 G N 4.936 113.614 108.800 -0.203 0.000 2.690 301 G HA2 -0.112 3.849 3.960 0.002 0.000 0.686 301 G HA3 -0.112 3.849 3.960 0.002 0.000 0.686 301 G C -2.388 172.092 174.900 -0.700 0.000 1.277 301 G CA -0.792 44.003 45.100 -0.508 0.000 0.799 301 G HN 0.376 nan 8.290 nan 0.000 0.613 302 P HA -0.118 nan 4.420 nan 0.000 0.214 302 P C 1.897 178.795 177.300 -0.671 0.000 1.162 302 P CA 2.530 65.071 63.100 -0.931 0.000 0.879 302 P CB -0.177 30.555 31.700 -1.613 0.000 0.786 303 T N 0.680 114.878 114.554 -0.595 0.000 2.597 303 T HA -0.193 4.158 4.350 0.002 0.000 0.267 303 T C 1.926 176.477 174.700 -0.248 0.000 1.053 303 T CA 2.262 64.149 62.100 -0.356 0.000 1.165 303 T CB -0.650 68.056 68.868 -0.270 0.000 0.863 303 T HN 0.102 nan 8.240 nan 0.000 0.427 304 K N 0.569 120.826 120.400 -0.238 0.000 2.057 304 K HA -0.004 4.317 4.320 0.002 0.000 0.207 304 K C 2.581 179.112 176.600 -0.115 0.000 1.049 304 K CA 1.291 57.487 56.287 -0.150 0.000 0.931 304 K CB -0.770 31.650 32.500 -0.133 0.000 0.714 304 K HN 0.289 nan 8.250 nan 0.000 0.440 305 T N 0.864 115.264 114.554 -0.257 0.000 2.788 305 T HA -0.055 4.296 4.350 0.002 0.000 0.268 305 T C 1.808 176.372 174.700 -0.227 0.000 1.044 305 T CA 1.105 62.981 62.100 -0.373 0.000 1.139 305 T CB -0.193 68.040 68.868 -1.058 0.000 0.867 305 T HN 0.086 nan 8.240 nan 0.000 0.454 306 I N 0.894 121.369 120.570 -0.159 0.000 2.113 306 I HA -0.175 3.996 4.170 0.002 0.000 0.238 306 I C 2.801 178.917 176.117 -0.001 0.000 1.070 306 I CA 1.471 62.760 61.300 -0.017 0.000 1.332 306 I CB -0.316 37.662 38.000 -0.037 0.000 1.044 306 I HN 0.305 nan 8.210 nan 0.000 0.402 307 E N 0.636 120.819 120.200 -0.027 0.000 2.097 307 E HA -0.247 4.104 4.350 0.002 0.000 0.196 307 E C 2.185 178.805 176.600 0.034 0.000 1.000 307 E CA 1.975 58.371 56.400 -0.006 0.000 0.804 307 E CB 0.080 29.759 29.700 -0.034 0.000 0.740 307 E HN 0.420 nan 8.360 nan 0.000 0.454 308 S N 0.598 116.345 115.700 0.080 0.000 2.357 308 S HA -0.085 4.386 4.470 0.002 0.000 0.221 308 S C 2.022 176.701 174.600 0.132 0.000 1.031 308 S CA 0.851 59.140 58.200 0.147 0.000 0.982 308 S CB -0.254 63.141 63.200 0.325 0.000 0.853 308 S HN 0.258 nan 8.310 nan 0.000 0.458 309 L N 1.194 122.513 121.223 0.160 0.000 2.079 309 L HA -0.150 4.191 4.340 0.002 0.000 0.210 309 L C 2.802 179.717 176.870 0.074 0.000 1.081 309 L CA 1.271 56.179 54.840 0.113 0.000 0.752 309 L CB -0.426 41.680 42.059 0.078 0.000 0.896 309 L HN 0.243 nan 8.230 nan 0.000 0.433 310 R N -0.322 120.217 120.500 0.066 0.000 2.066 310 R HA -0.131 4.210 4.340 0.002 0.000 0.232 310 R C 2.421 178.754 176.300 0.056 0.000 1.131 310 R CA 1.384 57.517 56.100 0.056 0.000 0.955 310 R CB -0.553 29.773 30.300 0.044 0.000 0.851 310 R HN 0.357 nan 8.270 nan 0.000 0.432 311 A N 1.372 124.220 122.820 0.046 0.000 1.908 311 A HA -0.154 4.167 4.320 0.002 0.000 0.218 311 A C 2.183 179.800 177.584 0.055 0.000 1.181 311 A CA 1.321 53.380 52.037 0.036 0.000 0.627 311 A CB -0.513 18.502 19.000 0.025 0.000 0.818 311 A HN 0.191 nan 8.150 nan 0.000 0.445 312 I N -0.387 120.221 120.570 0.064 0.000 2.202 312 I HA -0.239 3.933 4.170 0.002 0.000 0.242 312 I C 2.946 179.222 176.117 0.265 0.000 1.091 312 I CA 1.035 62.406 61.300 0.119 0.000 1.368 312 I CB -0.364 37.646 38.000 0.016 0.000 1.058 312 I HN 0.339 nan 8.210 nan 0.000 0.410 313 A N 0.823 123.750 122.820 0.178 0.000 1.933 313 A HA -0.127 4.194 4.320 0.002 0.000 0.218 313 A C 2.556 180.280 177.584 0.232 0.000 1.175 313 A CA 1.672 53.831 52.037 0.203 0.000 0.628 313 A CB -0.782 18.274 19.000 0.093 0.000 0.814 313 A HN 0.425 nan 8.150 nan 0.000 0.444 314 A N 0.052 122.956 122.820 0.140 0.000 1.940 314 A HA -0.189 4.132 4.320 0.002 0.000 0.219 314 A C 1.944 179.572 177.584 0.072 0.000 1.176 314 A CA 1.765 53.854 52.037 0.088 0.000 0.631 314 A CB -0.430 18.596 19.000 0.043 0.000 0.814 314 A HN 0.517 nan 8.150 nan 0.000 0.446 315 K N -1.928 118.508 120.400 0.061 0.000 2.589 315 K HA 0.115 4.436 4.320 0.002 0.000 0.192 315 K C 0.316 176.728 176.600 -0.313 0.000 1.029 315 K CA 0.387 56.603 56.287 -0.118 0.000 1.031 315 K CB -0.130 32.255 32.500 -0.191 0.000 0.821 315 K HN 0.592 nan 8.250 nan 0.000 0.502 316 F N 0.341 120.324 119.950 0.054 0.000 2.495 316 F HA 0.065 4.593 4.527 0.002 0.000 0.271 316 F C 0.079 175.944 175.800 0.107 0.000 0.889 316 F CA -0.035 58.027 58.000 0.104 0.000 1.129 316 F CB 0.576 39.689 39.000 0.188 0.000 1.169 316 F HN 0.057 nan 8.300 nan 0.000 0.781 317 D N -2.300 118.283 120.400 0.305 0.000 2.926 317 D HA 0.024 4.665 4.640 0.002 0.000 0.321 317 D C 0.165 176.552 176.300 0.146 0.000 1.325 317 D CA -0.437 53.676 54.000 0.189 0.000 0.735 317 D CB 0.166 41.086 40.800 0.200 0.000 1.291 317 D HN -0.104 nan 8.370 nan 0.000 0.445 318 E N 0.041 120.303 120.200 0.102 0.000 2.118 318 E HA -0.166 4.185 4.350 0.002 0.000 0.195 318 E C 1.698 178.331 176.600 0.056 0.000 0.992 318 E CA 2.650 59.092 56.400 0.069 0.000 0.804 318 E CB -0.260 29.473 29.700 0.055 0.000 0.741 318 E HN 0.454 nan 8.360 nan 0.000 0.458 319 S N 0.160 115.896 115.700 0.060 0.000 2.348 319 S HA -0.149 4.322 4.470 0.002 0.000 0.221 319 S C 2.000 176.583 174.600 -0.028 0.000 1.033 319 S CA 1.209 59.416 58.200 0.012 0.000 1.010 319 S CB -0.460 62.741 63.200 0.002 0.000 0.891 319 S HN 0.207 nan 8.310 nan 0.000 0.442 320 I N 2.535 123.082 120.570 -0.039 0.000 2.286 320 I HA -0.157 4.014 4.170 0.002 0.000 0.248 320 I C 2.749 178.858 176.117 -0.012 0.000 1.115 320 I CA 1.329 62.578 61.300 -0.084 0.000 1.392 320 I CB -1.657 36.289 38.000 -0.089 0.000 1.065 320 I HN 0.433 nan 8.210 nan 0.000 0.418 321 Q N 0.674 120.495 119.800 0.036 0.000 2.119 321 Q HA -0.193 4.148 4.340 0.002 0.000 0.201 321 Q C 2.207 178.222 176.000 0.025 0.000 0.972 321 Q CA 1.448 57.275 55.803 0.041 0.000 0.847 321 Q CB -0.033 28.737 28.738 0.053 0.000 0.903 321 Q HN 0.499 nan 8.270 nan 0.000 0.433 322 K N 0.762 121.171 120.400 0.015 0.000 2.001 322 K HA -0.115 4.206 4.320 0.002 0.000 0.208 322 K C 1.969 178.571 176.600 0.003 0.000 1.048 322 K CA 1.154 57.446 56.287 0.009 0.000 0.932 322 K CB -0.036 32.466 32.500 0.003 0.000 0.715 322 K HN 0.030 nan 8.250 nan 0.000 0.437 323 K N 0.600 120.992 120.400 -0.014 0.000 2.103 323 K HA -0.195 4.126 4.320 0.002 0.000 0.207 323 K C 2.446 179.050 176.600 0.007 0.000 1.048 323 K CA 1.435 57.712 56.287 -0.018 0.000 0.930 323 K CB -0.489 31.977 32.500 -0.057 0.000 0.716 323 K HN 0.276 nan 8.250 nan 0.000 0.444 324 C N 2.017 121.325 119.300 0.013 0.000 2.413 324 C HA -0.107 4.354 4.460 0.002 0.000 0.276 324 C C 2.344 177.370 174.990 0.060 0.000 1.236 324 C CA 1.086 60.129 59.018 0.041 0.000 1.735 324 C CB -0.609 27.156 27.740 0.041 0.000 2.031 324 C HN 0.393 nan 8.230 nan 0.000 0.474 325 E N 0.659 120.887 120.200 0.045 0.000 2.338 325 E HA -0.105 4.246 4.350 0.002 0.000 0.197 325 E C 2.040 178.665 176.600 0.040 0.000 1.007 325 E CA 0.907 57.335 56.400 0.047 0.000 0.849 325 E CB -0.424 29.297 29.700 0.034 0.000 0.774 325 E HN 0.761 nan 8.360 nan 0.000 0.506 326 E N 0.313 120.532 120.200 0.032 0.000 2.016 326 E HA -0.092 4.259 4.350 0.002 0.000 0.190 326 E C 2.240 178.864 176.600 0.040 0.000 0.985 326 E CA 0.944 57.356 56.400 0.020 0.000 0.802 326 E CB -0.031 29.673 29.700 0.008 0.000 0.762 326 E HN -0.003 nan 8.360 nan 0.000 0.448 327 V N 2.031 121.995 119.914 0.084 0.000 2.282 327 V HA -0.303 3.818 4.120 0.002 0.000 0.249 327 V C 2.337 178.549 176.094 0.196 0.000 1.057 327 V CA 1.741 64.149 62.300 0.180 0.000 1.032 327 V CB -0.483 31.465 31.823 0.209 0.000 0.645 327 V HN 0.290 nan 8.190 nan 0.000 0.447 328 I N 0.105 120.764 120.570 0.148 0.000 2.208 328 I HA -0.284 3.887 4.170 0.002 0.000 0.245 328 I C 2.606 178.769 176.117 0.076 0.000 1.097 328 I CA 1.610 62.990 61.300 0.134 0.000 1.363 328 I CB -0.578 37.504 38.000 0.138 0.000 1.051 328 I HN 0.333 nan 8.210 nan 0.000 0.413 329 A N 0.951 123.792 122.820 0.035 0.000 1.897 329 A HA -0.240 4.081 4.320 0.002 0.000 0.215 329 A C 2.246 179.782 177.584 -0.081 0.000 1.181 329 A CA 1.822 53.847 52.037 -0.019 0.000 0.620 329 A CB -0.458 18.527 19.000 -0.024 0.000 0.821 329 A HN 0.318 nan 8.150 nan 0.000 0.443 330 K N -1.413 118.931 120.400 -0.093 0.000 2.281 330 K HA -0.157 4.165 4.320 0.002 0.000 0.203 330 K C 0.826 177.149 176.600 -0.462 0.000 1.046 330 K CA 1.715 57.859 56.287 -0.237 0.000 0.938 330 K CB -0.496 31.883 32.500 -0.202 0.000 0.737 330 K HN 0.586 nan 8.250 nan 0.000 0.458 331 Y N -0.838 119.313 120.300 -0.248 0.000 2.453 331 Y HA 0.291 4.842 4.550 0.002 0.000 0.247 331 Y C 1.655 177.354 175.900 -0.335 0.000 1.124 331 Y CA -0.334 57.550 58.100 -0.360 0.000 1.243 331 Y CB 0.409 38.344 38.460 -0.876 0.000 1.213 331 Y HN -0.057 nan 8.280 nan 0.000 0.523 332 K N 1.488 121.773 120.400 -0.192 0.000 2.063 332 K HA -0.146 4.175 4.320 0.002 0.000 0.208 332 K C -0.901 175.334 176.600 -0.608 0.000 1.048 332 K CA 1.570 57.573 56.287 -0.473 0.000 0.928 332 K CB -0.904 31.459 32.500 -0.228 0.000 0.713 332 K HN 0.184 nan 8.250 nan 0.000 0.442 333 P HA -0.203 nan 4.420 nan 0.000 0.214 333 P C 0.677 177.836 177.300 -0.235 0.000 1.163 333 P CA 1.649 64.586 63.100 -0.272 0.000 0.889 333 P CB -0.058 31.527 31.700 -0.191 0.000 0.790 334 E N -0.201 119.904 120.200 -0.158 0.000 2.007 334 E HA -0.152 4.199 4.350 0.002 0.000 0.194 334 E C 2.360 179.020 176.600 0.099 0.000 0.999 334 E CA 1.400 57.800 56.400 0.001 0.000 0.811 334 E CB -0.766 28.996 29.700 0.103 0.000 0.762 334 E HN 0.501 nan 8.360 nan 0.000 0.450 335 W N 1.493 122.871 121.300 0.131 0.000 2.425 335 W HA -0.037 4.624 4.660 0.002 0.000 0.277 335 W C 1.292 177.944 176.519 0.222 0.000 1.231 335 W CA 0.628 58.135 57.345 0.270 0.000 1.248 335 W CB -0.396 29.215 29.460 0.252 0.000 1.117 335 W HN 0.080 nan 8.180 nan 0.000 0.568 336 E N 1.200 121.074 120.200 -0.543 0.000 2.150 336 E HA -0.093 4.258 4.350 0.002 0.000 0.193 336 E C 2.640 179.171 176.600 -0.114 0.000 0.985 336 E CA 1.606 57.714 56.400 -0.486 0.000 0.814 336 E CB -0.227 29.039 29.700 -0.724 0.000 0.752 336 E HN 0.245 nan 8.360 nan 0.000 0.466 337 A N 0.256 123.024 122.820 -0.087 0.000 1.877 337 A HA -0.162 4.159 4.320 0.002 0.000 0.216 337 A C 2.387 179.993 177.584 0.036 0.000 1.186 337 A CA 1.334 53.351 52.037 -0.034 0.000 0.620 337 A CB -0.705 18.274 19.000 -0.034 0.000 0.822 337 A HN 0.167 nan 8.150 nan 0.000 0.443 338 V N 0.446 120.453 119.914 0.155 0.000 2.255 338 V HA -0.285 3.836 4.120 0.002 0.000 0.247 338 V C 2.777 179.032 176.094 0.268 0.000 1.051 338 V CA 2.225 64.669 62.300 0.239 0.000 1.018 338 V CB -1.153 30.845 31.823 0.292 0.000 0.641 338 V HN 0.613 nan 8.190 nan 0.000 0.445 339 V N -0.744 119.392 119.914 0.370 0.000 2.427 339 V HA -0.127 3.994 4.120 0.002 0.000 0.248 339 V C 2.495 178.686 176.094 0.162 0.000 1.051 339 V CA 1.807 64.309 62.300 0.337 0.000 1.048 339 V CB -1.451 30.631 31.823 0.432 0.000 0.666 339 V HN 0.395 nan 8.190 nan 0.000 0.456 340 A N 0.749 123.617 122.820 0.080 0.000 1.883 340 A HA -0.239 4.082 4.320 0.002 0.000 0.217 340 A C 2.416 179.966 177.584 -0.057 0.000 1.186 340 A CA 2.475 54.515 52.037 0.005 0.000 0.624 340 A CB -0.652 18.328 19.000 -0.033 0.000 0.822 340 A HN 0.644 nan 8.150 nan 0.000 0.444 341 K N -1.947 118.366 120.400 -0.144 0.000 2.001 341 K HA -0.157 4.164 4.320 0.002 0.000 0.208 341 K C 1.814 178.195 176.600 -0.364 0.000 1.048 341 K CA 1.872 57.947 56.287 -0.353 0.000 0.932 341 K CB -0.303 31.808 32.500 -0.647 0.000 0.715 341 K HN 0.508 nan 8.250 nan 0.000 0.437 342 Y N 0.154 120.440 120.300 -0.023 0.000 2.397 342 Y HA 0.122 4.673 4.550 0.002 0.000 0.292 342 Y C 2.368 178.253 175.900 -0.025 0.000 1.115 342 Y CA 0.573 58.643 58.100 -0.051 0.000 1.208 342 Y CB -0.213 38.172 38.460 -0.124 0.000 1.046 342 Y HN 0.047 nan 8.280 nan 0.000 0.552 343 R N 0.621 121.213 120.500 0.153 0.000 2.083 343 R HA -0.155 4.186 4.340 0.002 0.000 0.237 343 R C -0.924 175.422 176.300 0.076 0.000 1.137 343 R CA 1.816 57.988 56.100 0.119 0.000 0.951 343 R CB -1.300 29.081 30.300 0.135 0.000 0.851 343 R HN 0.201 nan 8.270 nan 0.000 0.434 344 P HA -0.130 nan 4.420 nan 0.000 0.221 344 P C 0.417 177.737 177.300 0.034 0.000 1.145 344 P CA 1.446 64.566 63.100 0.032 0.000 0.795 344 P CB -0.083 31.625 31.700 0.012 0.000 0.775 345 R N -1.225 119.304 120.500 0.047 0.000 2.200 345 R HA 0.177 4.518 4.340 0.002 0.000 0.208 345 R C 1.631 177.959 176.300 0.047 0.000 1.033 345 R CA 0.729 56.860 56.100 0.053 0.000 1.000 345 R CB -0.269 30.081 30.300 0.084 0.000 0.906 345 R HN 0.274 nan 8.270 nan 0.000 0.462 346 L N 0.180 121.432 121.223 0.048 0.000 2.858 346 L HA 0.180 4.521 4.340 0.002 0.000 0.251 346 L C 0.241 177.135 176.870 0.039 0.000 1.149 346 L CA -0.263 54.596 54.840 0.032 0.000 0.955 346 L CB 0.366 42.432 42.059 0.013 0.000 1.289 346 L HN -0.022 nan 8.230 nan 0.000 0.542 347 E N 1.658 121.885 120.200 0.044 0.000 2.652 347 E HA -0.017 4.335 4.350 0.002 0.000 0.255 347 E C 1.157 177.775 176.600 0.030 0.000 0.952 347 E CA 1.133 57.559 56.400 0.042 0.000 0.947 347 E CB 0.601 30.324 29.700 0.039 0.000 0.912 347 E HN 0.398 nan 8.360 nan 0.000 0.489 348 G N 3.787 112.605 108.800 0.031 0.000 2.166 348 G HA2 -0.283 3.678 3.960 0.002 0.000 0.260 348 G HA3 -0.283 3.678 3.960 0.002 0.000 0.260 348 G C 0.283 175.188 174.900 0.008 0.000 0.986 348 G CA 0.464 45.575 45.100 0.018 0.000 0.683 348 G HN 0.343 nan 8.290 nan 0.000 0.527 349 K N 0.288 120.694 120.400 0.011 0.000 2.185 349 K HA 0.450 4.772 4.320 0.002 0.000 0.271 349 K C 0.822 177.411 176.600 -0.019 0.000 1.013 349 K CA -0.272 56.011 56.287 -0.008 0.000 0.943 349 K CB 0.777 33.273 32.500 -0.007 0.000 0.998 349 K HN 0.442 nan 8.250 nan 0.000 0.468 350 R N 0.874 121.346 120.500 -0.047 0.000 2.393 350 R HA 0.441 4.782 4.340 0.002 0.000 0.310 350 R C -0.501 175.732 176.300 -0.112 0.000 0.968 350 R CA -0.807 55.251 56.100 -0.070 0.000 0.867 350 R CB 1.349 31.612 30.300 -0.063 0.000 1.124 350 R HN 0.187 nan 8.270 nan 0.000 0.450 351 V N 3.987 123.804 119.914 -0.162 0.000 2.581 351 V HA 0.452 4.573 4.120 0.002 0.000 0.303 351 V C 0.042 176.013 176.094 -0.206 0.000 1.041 351 V CA -0.737 61.417 62.300 -0.244 0.000 0.907 351 V CB 1.835 33.365 31.823 -0.488 0.000 0.994 351 V HN 0.696 nan 8.190 nan 0.000 0.442 352 M N 4.867 124.371 119.600 -0.160 0.000 2.311 352 M HA 0.615 5.096 4.480 0.002 0.000 0.325 352 M C -1.282 175.026 176.300 0.014 0.000 1.061 352 M CA -0.334 54.949 55.300 -0.028 0.000 0.957 352 M CB 1.811 34.414 32.600 0.005 0.000 1.646 352 M HN 0.469 nan 8.290 nan 0.000 0.434 353 L N 2.701 123.962 121.223 0.064 0.000 2.323 353 L HA 0.638 4.979 4.340 0.002 0.000 0.265 353 L C -1.499 175.479 176.870 0.179 0.000 1.012 353 L CA -0.970 53.883 54.840 0.021 0.000 0.820 353 L CB 2.116 44.072 42.059 -0.172 0.000 1.334 353 L HN 0.567 nan 8.230 nan 0.000 0.427 354 Y N 2.515 122.774 120.300 -0.068 0.000 2.264 354 Y HA 0.597 5.148 4.550 0.002 0.000 0.321 354 Y C -1.266 174.537 175.900 -0.162 0.000 1.199 354 Y CA -0.667 57.347 58.100 -0.142 0.000 1.175 354 Y CB 0.659 38.909 38.460 -0.350 0.000 1.213 354 Y HN 0.405 nan 8.280 nan 0.000 0.414 355 I N 1.974 122.122 120.570 -0.704 0.000 3.850 355 I HA 0.651 4.822 4.170 0.002 0.000 0.272 355 I C 1.022 176.702 176.117 -0.728 0.000 1.109 355 I CA -0.787 60.108 61.300 -0.675 0.000 1.282 355 I CB 0.714 38.353 38.000 -0.601 0.000 1.337 355 I HN 0.557 nan 8.210 nan 0.000 0.438 356 G N -0.266 108.179 108.800 -0.592 0.000 2.670 356 G HA2 0.324 4.285 3.960 0.002 0.000 0.219 356 G HA3 0.324 4.285 3.960 0.002 0.000 0.219 356 G C 0.856 175.154 174.900 -1.003 0.000 1.342 356 G CA 0.783 45.396 45.100 -0.812 0.000 0.902 356 G HN 0.800 nan 8.290 nan 0.000 0.553 357 G N -1.218 107.335 108.800 -0.412 0.000 4.596 357 G HA2 0.415 4.376 3.960 0.002 0.000 0.276 357 G HA3 0.415 4.376 3.960 0.002 0.000 0.276 357 G C 0.267 175.216 174.900 0.083 0.000 1.013 357 G CA 0.593 45.647 45.100 -0.077 0.000 0.778 357 G HN 0.443 nan 8.290 nan 0.000 0.389 358 L N -1.179 120.072 121.223 0.046 0.000 2.681 358 L HA 0.539 4.880 4.340 0.002 0.000 0.163 358 L C 2.184 178.980 176.870 -0.123 0.000 1.188 358 L CA 0.542 55.340 54.840 -0.070 0.000 0.944 358 L CB -0.424 41.529 42.059 -0.177 0.000 1.835 358 L HN -0.075 nan 8.230 nan 0.000 0.510 359 R N 0.709 121.127 120.500 -0.136 0.000 2.154 359 R HA -0.145 4.196 4.340 0.002 0.000 0.248 359 R C -1.008 175.104 176.300 -0.315 0.000 1.155 359 R CA 2.434 58.426 56.100 -0.180 0.000 0.979 359 R CB -1.463 28.753 30.300 -0.141 0.000 0.869 359 R HN 0.363 nan 8.270 nan 0.000 0.452 360 P HA -0.207 nan 4.420 nan 0.000 0.220 360 P C 0.450 177.440 177.300 -0.517 0.000 1.144 360 P CA 1.550 64.215 63.100 -0.725 0.000 0.800 360 P CB 0.011 30.813 31.700 -1.497 0.000 0.772 361 R N -2.811 117.504 120.500 -0.308 0.000 2.287 361 R HA 0.136 4.477 4.340 0.002 0.000 0.197 361 R C 1.935 178.213 176.300 -0.036 0.000 0.900 361 R CA 0.149 56.175 56.100 -0.124 0.000 1.052 361 R CB -0.972 29.331 30.300 0.006 0.000 1.117 361 R HN 0.204 nan 8.270 nan 0.000 0.568 362 H N 1.225 120.183 119.070 -0.186 0.000 2.524 362 H HA -0.001 4.556 4.556 0.002 0.000 0.282 362 H C 1.689 176.850 175.328 -0.280 0.000 1.016 362 H CA 1.538 57.496 56.048 -0.151 0.000 1.270 362 H CB 0.773 30.507 29.762 -0.045 0.000 1.394 362 H HN 0.217 nan 8.280 nan 0.000 0.568 363 V N -2.000 117.713 119.914 -0.335 0.000 3.650 363 V HA -0.030 4.091 4.120 0.002 0.000 0.271 363 V C 2.030 178.098 176.094 -0.044 0.000 1.281 363 V CA 0.102 62.154 62.300 -0.414 0.000 1.120 363 V CB -0.338 31.223 31.823 -0.436 0.000 0.856 363 V HN 0.177 nan 8.190 nan 0.000 0.443 364 I N 2.902 123.452 120.570 -0.032 0.000 2.118 364 I HA -0.189 3.982 4.170 0.002 0.000 0.241 364 I C 2.748 178.898 176.117 0.055 0.000 1.070 364 I CA 2.333 63.646 61.300 0.022 0.000 1.327 364 I CB -1.868 36.097 38.000 -0.058 0.000 1.034 364 I HN 0.456 nan 8.210 nan 0.000 0.405 365 G N 0.525 109.309 108.800 -0.028 0.000 2.418 365 G HA2 -0.180 3.781 3.960 0.002 0.000 0.217 365 G HA3 -0.180 3.781 3.960 0.002 0.000 0.217 365 G C 1.889 176.769 174.900 -0.033 0.000 1.158 365 G CA 1.081 46.154 45.100 -0.046 0.000 0.771 365 G HN 0.516 nan 8.290 nan 0.000 0.545 366 A N 0.056 122.831 122.820 -0.075 0.000 1.908 366 A HA -0.017 4.304 4.320 0.002 0.000 0.218 366 A C 2.219 179.889 177.584 0.143 0.000 1.181 366 A CA 1.572 53.555 52.037 -0.091 0.000 0.627 366 A CB -0.643 18.080 19.000 -0.462 0.000 0.818 366 A HN 0.418 nan 8.150 nan 0.000 0.445 367 Y N 0.010 120.412 120.300 0.171 0.000 2.181 367 Y HA -0.163 4.388 4.550 0.002 0.000 0.288 367 Y C 2.499 178.475 175.900 0.126 0.000 1.146 367 Y CA 1.828 60.056 58.100 0.213 0.000 1.164 367 Y CB -0.241 38.282 38.460 0.104 0.000 0.982 367 Y HN 0.418 nan 8.280 nan 0.000 0.515 368 E N -0.272 120.056 120.200 0.214 0.000 2.150 368 E HA -0.190 4.161 4.350 0.002 0.000 0.193 368 E C 1.281 177.944 176.600 0.106 0.000 0.985 368 E CA 1.105 57.577 56.400 0.121 0.000 0.814 368 E CB -0.103 29.632 29.700 0.058 0.000 0.752 368 E HN 0.453 nan 8.360 nan 0.000 0.466 369 D N 0.129 120.590 120.400 0.103 0.000 2.378 369 D HA -0.070 4.571 4.640 0.002 0.000 0.222 369 D C 1.027 177.472 176.300 0.243 0.000 0.980 369 D CA 0.777 54.841 54.000 0.106 0.000 0.907 369 D CB 0.254 41.028 40.800 -0.044 0.000 0.899 369 D HN 0.209 nan 8.370 nan 0.000 0.527 370 L N -0.904 120.462 121.223 0.240 0.000 3.014 370 L HA 0.275 4.616 4.340 0.002 0.000 0.263 370 L C 1.154 178.107 176.870 0.137 0.000 1.207 370 L CA -0.195 54.765 54.840 0.199 0.000 1.017 370 L CB 0.509 42.648 42.059 0.133 0.000 1.360 370 L HN -0.051 nan 8.230 nan 0.000 0.560 371 G N 0.743 109.621 108.800 0.128 0.000 2.203 371 G HA2 -0.310 3.651 3.960 0.002 0.000 0.263 371 G HA3 -0.310 3.651 3.960 0.002 0.000 0.263 371 G C 0.198 175.150 174.900 0.087 0.000 1.012 371 G CA 0.385 45.541 45.100 0.094 0.000 0.749 371 G HN 0.320 nan 8.290 nan 0.000 0.512 372 M N -0.277 119.396 119.600 0.121 0.000 2.409 372 M HA 0.452 4.933 4.480 0.002 0.000 0.329 372 M C 0.290 176.636 176.300 0.076 0.000 1.180 372 M CA -0.451 54.914 55.300 0.109 0.000 1.053 372 M CB 1.596 34.311 32.600 0.192 0.000 1.586 372 M HN 0.189 nan 8.290 nan 0.000 0.461 373 E N 1.609 121.819 120.200 0.017 0.000 2.158 373 E HA 0.344 4.695 4.350 0.002 0.000 0.271 373 E C -1.478 175.076 176.600 -0.076 0.000 0.911 373 E CA -0.578 55.812 56.400 -0.017 0.000 0.767 373 E CB 1.662 31.350 29.700 -0.020 0.000 1.120 373 E HN 0.424 nan 8.360 nan 0.000 0.405 374 V N 6.160 126.010 119.914 -0.107 0.000 2.370 374 V HA -0.008 4.113 4.120 0.002 0.000 0.257 374 V C 1.288 177.312 176.094 -0.117 0.000 1.064 374 V CA -0.030 62.165 62.300 -0.175 0.000 0.975 374 V CB 0.467 32.165 31.823 -0.207 0.000 1.067 374 V HN 0.643 nan 8.190 nan 0.000 0.485 375 V N 2.037 121.892 119.914 -0.098 0.000 3.541 375 V HA 0.517 4.638 4.120 0.002 0.000 0.267 375 V C 0.859 176.928 176.094 -0.042 0.000 1.213 375 V CA 0.831 63.092 62.300 -0.064 0.000 1.149 375 V CB -0.363 31.428 31.823 -0.054 0.000 0.822 375 V HN 0.775 nan 8.190 nan 0.000 0.462 376 G N -1.442 107.338 108.800 -0.034 0.000 2.759 376 G HA2 0.555 4.516 3.960 0.002 0.000 0.297 376 G HA3 0.555 4.516 3.960 0.002 0.000 0.297 376 G C -1.252 173.608 174.900 -0.067 0.000 1.434 376 G CA 0.148 45.267 45.100 0.031 0.000 0.980 376 G HN 0.233 nan 8.290 nan 0.000 0.531 377 T N -0.889 113.450 114.554 -0.358 0.000 2.840 377 T HA 0.853 5.205 4.350 0.002 0.000 0.317 377 T C -0.267 173.924 174.700 -0.848 0.000 1.401 377 T CA 0.434 62.272 62.100 -0.438 0.000 1.028 377 T CB 1.735 70.388 68.868 -0.359 0.000 1.317 377 T HN 1.901 nan 8.240 nan 0.000 0.495 378 G N 1.159 109.613 108.800 -0.576 0.000 2.559 378 G HA2 0.621 4.582 3.960 0.002 0.000 0.291 378 G HA3 0.621 4.582 3.960 0.002 0.000 0.291 378 G C -2.569 172.184 174.900 -0.246 0.000 1.424 378 G CA -0.553 44.382 45.100 -0.274 0.000 0.786 378 G HN 0.583 nan 8.290 nan 0.000 0.485 379 Y N -0.388 119.863 120.300 -0.081 0.000 2.512 379 Y HA 0.465 5.017 4.550 0.002 0.000 0.348 379 Y C 1.340 177.079 175.900 -0.267 0.000 0.990 379 Y CA -0.887 56.972 58.100 -0.402 0.000 1.033 379 Y CB 2.373 40.608 38.460 -0.374 0.000 1.259 379 Y HN 0.657 nan 8.280 nan 0.000 0.461 380 E N 1.341 121.292 120.200 -0.416 0.000 2.028 380 E HA -0.127 4.224 4.350 0.002 0.000 0.191 380 E C 0.182 176.848 176.600 0.109 0.000 0.988 380 E CA 1.774 58.121 56.400 -0.089 0.000 0.799 380 E CB -0.026 29.605 29.700 -0.115 0.000 0.755 380 E HN 0.655 nan 8.360 nan 0.000 0.447 381 F N -1.815 118.233 119.950 0.163 0.000 2.815 381 F HA 0.586 5.114 4.527 0.002 0.000 0.323 381 F C 0.082 176.001 175.800 0.197 0.000 1.151 381 F CA -1.112 56.989 58.000 0.168 0.000 1.191 381 F CB -0.385 38.683 39.000 0.113 0.000 1.069 381 F HN -0.207 nan 8.300 nan 0.000 0.514 382 A N 0.777 123.662 122.820 0.109 0.000 2.429 382 A HA 0.490 4.811 4.320 0.002 0.000 0.242 382 A C -0.403 177.389 177.584 0.346 0.000 1.088 382 A CA 0.184 52.206 52.037 -0.025 0.000 0.784 382 A CB 0.034 18.522 19.000 -0.854 0.000 1.038 382 A HN 0.538 nan 8.150 nan 0.000 0.501 383 H N -0.264 118.840 119.070 0.056 0.000 2.676 383 H HA 0.343 4.900 4.556 0.002 0.000 0.352 383 H C 0.873 176.304 175.328 0.172 0.000 1.193 383 H CA -1.202 54.924 56.048 0.130 0.000 1.243 383 H CB 0.602 30.432 29.762 0.112 0.000 1.751 383 H HN 0.669 nan 8.280 nan 0.000 0.567 384 N N 0.688 119.551 118.700 0.272 0.000 2.137 384 N HA -0.172 4.569 4.740 0.002 0.000 0.190 384 N C 1.037 176.650 175.510 0.172 0.000 1.017 384 N CA 1.520 54.692 53.050 0.204 0.000 0.859 384 N CB -0.187 38.356 38.487 0.093 0.000 1.002 384 N HN 0.677 nan 8.380 nan 0.000 0.428 385 D N 0.138 120.628 120.400 0.150 0.000 2.178 385 D HA -0.150 4.491 4.640 0.002 0.000 0.201 385 D C 0.952 177.247 176.300 -0.007 0.000 0.980 385 D CA 1.099 55.149 54.000 0.084 0.000 0.842 385 D CB -0.471 40.416 40.800 0.146 0.000 0.948 385 D HN 0.232 nan 8.370 nan 0.000 0.472 386 D N -0.337 120.043 120.400 -0.034 0.000 2.123 386 D HA -0.124 4.517 4.640 0.002 0.000 0.200 386 D C 1.905 178.030 176.300 -0.291 0.000 0.976 386 D CA 0.798 54.650 54.000 -0.246 0.000 0.831 386 D CB -0.407 40.076 40.800 -0.530 0.000 0.974 386 D HN 0.312 nan 8.370 nan 0.000 0.469 387 Y N 1.833 122.042 120.300 -0.152 0.000 2.274 387 Y HA -0.144 4.407 4.550 0.002 0.000 0.290 387 Y C 2.111 177.989 175.900 -0.037 0.000 1.145 387 Y CA 0.828 58.889 58.100 -0.065 0.000 1.203 387 Y CB -0.112 38.320 38.460 -0.046 0.000 0.984 387 Y HN -0.100 nan 8.280 nan 0.000 0.533 388 D N -0.085 120.366 120.400 0.085 0.000 2.092 388 D HA -0.180 4.461 4.640 0.002 0.000 0.193 388 D C 2.192 178.483 176.300 -0.014 0.000 0.994 388 D CA 1.317 55.333 54.000 0.027 0.000 0.828 388 D CB -0.374 40.426 40.800 -0.000 0.000 0.963 388 D HN 0.242 nan 8.370 nan 0.000 0.450 389 R N -0.044 120.420 120.500 -0.061 0.000 2.091 389 R HA -0.090 4.251 4.340 0.002 0.000 0.238 389 R C 2.356 178.630 176.300 -0.042 0.000 1.136 389 R CA 1.703 57.755 56.100 -0.081 0.000 0.959 389 R CB -0.287 29.929 30.300 -0.141 0.000 0.856 389 R HN 0.167 nan 8.270 nan 0.000 0.437 390 T N 0.729 115.269 114.554 -0.024 0.000 2.746 390 T HA -0.142 4.209 4.350 0.002 0.000 0.267 390 T C 1.725 176.426 174.700 0.001 0.000 1.039 390 T CA 1.395 63.495 62.100 -0.001 0.000 1.142 390 T CB -0.088 68.797 68.868 0.029 0.000 0.866 390 T HN 0.220 nan 8.240 nan 0.000 0.444 391 M N 0.720 120.334 119.600 0.023 0.000 2.446 391 M HA -0.051 4.430 4.480 0.002 0.000 0.263 391 M C 2.061 178.356 176.300 -0.009 0.000 1.066 391 M CA 1.317 56.625 55.300 0.015 0.000 1.087 391 M CB -0.412 32.205 32.600 0.028 0.000 1.406 391 M HN 0.220 nan 8.290 nan 0.000 0.459 392 K N -0.087 120.302 120.400 -0.019 0.000 2.155 392 K HA -0.082 4.240 4.320 0.002 0.000 0.203 392 K C 1.781 178.360 176.600 -0.035 0.000 1.052 392 K CA 0.781 57.051 56.287 -0.029 0.000 0.948 392 K CB 0.023 32.501 32.500 -0.038 0.000 0.728 392 K HN 0.246 nan 8.250 nan 0.000 0.448 393 E N -0.002 120.174 120.200 -0.040 0.000 2.190 393 E HA 0.044 4.395 4.350 0.002 0.000 0.191 393 E C 0.651 177.222 176.600 -0.049 0.000 0.978 393 E CA 0.533 56.904 56.400 -0.049 0.000 0.839 393 E CB 0.201 29.866 29.700 -0.058 0.000 0.787 393 E HN 0.181 nan 8.360 nan 0.000 0.473 394 M N 0.685 120.257 119.600 -0.046 0.000 2.250 394 M HA 0.270 4.751 4.480 0.002 0.000 0.344 394 M C 0.883 177.160 176.300 -0.039 0.000 1.150 394 M CA -0.368 54.902 55.300 -0.051 0.000 1.147 394 M CB 0.661 33.228 32.600 -0.055 0.000 1.498 394 M HN -0.118 nan 8.290 nan 0.000 0.461 395 G N 1.641 110.416 108.800 -0.041 0.000 2.594 395 G HA2 0.220 4.181 3.960 0.002 0.000 0.243 395 G HA3 0.220 4.181 3.960 0.002 0.000 0.243 395 G C -0.798 174.085 174.900 -0.028 0.000 1.229 395 G CA -0.601 44.480 45.100 -0.032 0.000 0.843 395 G HN 0.713 nan 8.290 nan 0.000 0.578 396 D N -0.191 120.195 120.400 -0.023 0.000 2.443 396 D HA 0.301 4.942 4.640 0.002 0.000 0.239 396 D C 0.981 177.268 176.300 -0.021 0.000 1.136 396 D CA 0.949 54.937 54.000 -0.019 0.000 0.879 396 D CB 0.740 41.530 40.800 -0.015 0.000 1.195 396 D HN 0.304 nan 8.370 nan 0.000 0.443 397 S N -0.871 114.817 115.700 -0.021 0.000 3.380 397 S HA -0.199 4.272 4.470 0.002 0.000 0.300 397 S C 0.522 175.104 174.600 -0.031 0.000 1.255 397 S CA 1.100 59.287 58.200 -0.023 0.000 0.963 397 S CB -1.821 61.367 63.200 -0.019 0.000 1.106 397 S HN 0.793 nan 8.310 nan 0.000 0.629 398 T N -0.394 114.138 114.554 -0.037 0.000 2.847 398 T HA 0.693 5.044 4.350 0.002 0.000 0.279 398 T C -0.012 174.654 174.700 -0.057 0.000 0.984 398 T CA -0.906 61.165 62.100 -0.047 0.000 0.988 398 T CB 1.197 70.032 68.868 -0.055 0.000 1.040 398 T HN 0.197 nan 8.240 nan 0.000 0.528 399 L N 0.997 122.181 121.223 -0.064 0.000 2.307 399 L HA 0.600 4.941 4.340 0.002 0.000 0.282 399 L C -1.052 175.730 176.870 -0.146 0.000 1.051 399 L CA -0.724 54.071 54.840 -0.075 0.000 0.804 399 L CB 0.394 42.410 42.059 -0.073 0.000 1.197 399 L HN 0.642 nan 8.230 nan 0.000 0.431 400 L N 6.283 127.432 121.223 -0.122 0.000 2.346 400 L HA 0.533 4.875 4.340 0.002 0.000 0.276 400 L C -1.464 175.388 176.870 -0.030 0.000 1.006 400 L CA -0.888 53.847 54.840 -0.174 0.000 0.817 400 L CB 1.571 43.633 42.059 0.006 0.000 1.272 400 L HN 0.627 nan 8.230 nan 0.000 0.421 401 Y N -0.545 119.872 120.300 0.195 0.000 2.361 401 Y HA 0.522 5.073 4.550 0.002 0.000 0.328 401 Y C -1.005 175.113 175.900 0.365 0.000 1.044 401 Y CA -1.461 56.781 58.100 0.237 0.000 1.085 401 Y CB 1.097 39.696 38.460 0.232 0.000 1.194 401 Y HN 0.485 nan 8.280 nan 0.000 0.438 402 D N 2.612 123.282 120.400 0.450 0.000 2.198 402 D HA 0.252 4.893 4.640 0.002 0.000 0.245 402 D C -0.287 176.258 176.300 0.409 0.000 1.079 402 D CA -0.027 54.262 54.000 0.482 0.000 0.854 402 D CB 0.988 41.993 40.800 0.343 0.000 1.148 402 D HN 0.720 nan 8.370 nan 0.000 0.456 403 D N 2.594 123.254 120.400 0.433 0.000 2.740 403 D HA -0.205 4.436 4.640 0.002 0.000 0.231 403 D C -0.758 175.651 176.300 0.183 0.000 1.194 403 D CA 0.288 54.478 54.000 0.317 0.000 0.673 403 D CB -0.745 40.149 40.800 0.156 0.000 0.995 403 D HN 0.161 nan 8.370 nan 0.000 0.411 404 V N 1.330 121.307 119.914 0.106 0.000 2.872 404 V HA 0.308 4.429 4.120 0.002 0.000 0.307 404 V C 1.306 177.348 176.094 -0.086 0.000 1.072 404 V CA 0.750 63.000 62.300 -0.083 0.000 1.148 404 V CB 1.096 32.631 31.823 -0.479 0.000 0.954 404 V HN 0.565 nan 8.190 nan 0.000 0.490 405 T N 3.284 117.838 114.554 -0.000 0.000 2.902 405 T HA 0.461 4.812 4.350 0.002 0.000 0.280 405 T C 1.355 176.083 174.700 0.048 0.000 0.992 405 T CA -0.071 62.061 62.100 0.054 0.000 1.015 405 T CB 1.341 70.299 68.868 0.149 0.000 1.044 405 T HN 0.910 nan 8.240 nan 0.000 0.520 406 G N -0.080 108.774 108.800 0.091 0.000 2.491 406 G HA2 -0.288 3.673 3.960 0.002 0.000 0.218 406 G HA3 -0.288 3.673 3.960 0.002 0.000 0.218 406 G C 1.154 176.109 174.900 0.092 0.000 1.180 406 G CA 1.189 46.354 45.100 0.108 0.000 0.774 406 G HN 0.870 nan 8.290 nan 0.000 0.562 407 Y N 1.608 121.899 120.300 -0.015 0.000 2.114 407 Y HA -0.187 4.364 4.550 0.002 0.000 0.282 407 Y C 2.804 178.594 175.900 -0.184 0.000 1.165 407 Y CA 2.499 60.554 58.100 -0.075 0.000 1.148 407 Y CB -0.292 38.137 38.460 -0.051 0.000 0.972 407 Y HN 0.403 nan 8.280 nan 0.000 0.504 408 E N -0.857 119.184 120.200 -0.265 0.000 2.051 408 E HA -0.204 4.147 4.350 0.002 0.000 0.192 408 E C 2.016 178.094 176.600 -0.871 0.000 0.991 408 E CA 1.262 57.216 56.400 -0.744 0.000 0.799 408 E CB -0.466 28.934 29.700 -0.500 0.000 0.748 408 E HN 0.442 nan 8.360 nan 0.000 0.449 409 F N 2.115 121.745 119.950 -0.533 0.000 2.134 409 F HA -0.172 4.356 4.527 0.002 0.000 0.299 409 F C 2.236 177.947 175.800 -0.148 0.000 1.097 409 F CA 1.521 59.321 58.000 -0.334 0.000 1.264 409 F CB -0.286 38.601 39.000 -0.188 0.000 1.001 409 F HN -0.005 nan 8.300 nan 0.000 0.479 410 E N -0.165 120.000 120.200 -0.059 0.000 2.031 410 E HA -0.215 4.136 4.350 0.002 0.000 0.193 410 E C 2.072 178.550 176.600 -0.204 0.000 0.994 410 E CA 1.467 57.831 56.400 -0.060 0.000 0.800 410 E CB -0.043 29.581 29.700 -0.128 0.000 0.752 410 E HN 0.306 nan 8.360 nan 0.000 0.447 411 E N 0.026 119.970 120.200 -0.427 0.000 2.110 411 E HA -0.163 4.188 4.350 0.002 0.000 0.193 411 E C 1.958 178.449 176.600 -0.181 0.000 0.988 411 E CA 0.731 56.894 56.400 -0.396 0.000 0.804 411 E CB -0.332 28.976 29.700 -0.654 0.000 0.745 411 E HN 0.323 nan 8.360 nan 0.000 0.458 412 F N 0.615 120.452 119.950 -0.188 0.000 2.134 412 F HA -0.138 4.390 4.527 0.002 0.000 0.299 412 F C 2.524 178.218 175.800 -0.177 0.000 1.097 412 F CA 0.410 58.320 58.000 -0.150 0.000 1.264 412 F CB -1.243 37.668 39.000 -0.147 0.000 1.001 412 F HN -0.149 nan 8.300 nan 0.000 0.479 413 V N 0.084 119.948 119.914 -0.085 0.000 2.358 413 V HA -0.266 3.855 4.120 0.002 0.000 0.246 413 V C 2.357 178.400 176.094 -0.085 0.000 1.047 413 V CA 1.621 63.809 62.300 -0.186 0.000 1.035 413 V CB -0.628 30.953 31.823 -0.402 0.000 0.658 413 V HN 0.260 nan 8.190 nan 0.000 0.452 414 K N -0.277 120.089 120.400 -0.057 0.000 2.113 414 K HA -0.239 4.082 4.320 0.002 0.000 0.208 414 K C 2.391 178.974 176.600 -0.027 0.000 1.047 414 K CA 1.621 57.884 56.287 -0.039 0.000 0.928 414 K CB -0.160 32.309 32.500 -0.052 0.000 0.716 414 K HN 0.277 nan 8.250 nan 0.000 0.446 415 R N 0.200 120.693 120.500 -0.011 0.000 2.090 415 R HA 0.107 4.448 4.340 0.002 0.000 0.219 415 R C 2.082 178.379 176.300 -0.005 0.000 1.100 415 R CA 0.595 56.696 56.100 0.002 0.000 0.991 415 R CB -0.241 30.076 30.300 0.029 0.000 0.893 415 R HN 0.086 nan 8.270 nan 0.000 0.443 416 I N 1.553 122.119 120.570 -0.008 0.000 2.493 416 I HA -0.125 4.046 4.170 0.002 0.000 0.254 416 I C -0.036 176.055 176.117 -0.044 0.000 1.160 416 I CA 0.774 62.059 61.300 -0.026 0.000 1.445 416 I CB -0.686 37.297 38.000 -0.029 0.000 1.086 416 I HN 0.218 nan 8.210 nan 0.000 0.433 417 K N 0.298 120.665 120.400 -0.055 0.000 3.278 417 K HA -0.150 4.171 4.320 0.002 0.000 0.270 417 K C -2.115 174.436 176.600 -0.082 0.000 0.955 417 K CA 0.182 56.431 56.287 -0.063 0.000 0.723 417 K CB -1.972 30.503 32.500 -0.042 0.000 1.382 417 K HN 0.366 nan 8.250 nan 0.000 0.461 418 P HA 0.077 nan 4.420 nan 0.000 0.272 418 P C 0.339 177.561 177.300 -0.131 0.000 1.240 418 P CA -0.046 62.981 63.100 -0.121 0.000 0.791 418 P CB 0.668 32.276 31.700 -0.152 0.000 0.978 419 D N -0.440 119.885 120.400 -0.124 0.000 2.305 419 D HA 0.084 4.725 4.640 0.002 0.000 0.206 419 D C 0.445 176.635 176.300 -0.184 0.000 0.974 419 D CA 0.965 54.883 54.000 -0.136 0.000 0.871 419 D CB 0.334 41.078 40.800 -0.094 0.000 0.947 419 D HN 0.154 nan 8.370 nan 0.000 0.516 420 L N 0.387 121.505 121.223 -0.176 0.000 2.466 420 L HA 0.453 4.794 4.340 0.002 0.000 0.258 420 L C -1.824 174.921 176.870 -0.208 0.000 0.973 420 L CA -0.640 54.087 54.840 -0.188 0.000 0.826 420 L CB 2.633 44.617 42.059 -0.126 0.000 1.372 420 L HN -0.261 nan 8.230 nan 0.000 0.409 421 I N 2.744 123.174 120.570 -0.232 0.000 2.509 421 I HA 0.665 4.836 4.170 0.002 0.000 0.293 421 I C 0.000 175.832 176.117 -0.476 0.000 1.020 421 I CA -0.649 60.484 61.300 -0.279 0.000 1.088 421 I CB 2.201 40.035 38.000 -0.276 0.000 1.267 421 I HN 0.779 nan 8.210 nan 0.000 0.430 422 G N 3.177 111.767 108.800 -0.350 0.000 2.605 422 G HA2 0.597 4.558 3.960 0.002 0.000 0.304 422 G HA3 0.597 4.558 3.960 0.002 0.000 0.304 422 G C -0.804 173.971 174.900 -0.208 0.000 1.333 422 G CA -0.138 44.739 45.100 -0.371 0.000 0.973 422 G HN 0.583 nan 8.290 nan 0.000 0.507 423 S N 0.978 116.527 115.700 -0.252 0.000 3.497 423 S HA 0.844 5.316 4.470 0.002 0.000 0.319 423 S C 0.412 175.322 174.600 0.517 0.000 1.195 423 S CA 0.302 58.652 58.200 0.251 0.000 1.118 423 S CB 0.560 64.116 63.200 0.594 0.000 1.495 423 S HN 1.148 nan 8.310 nan 0.000 0.655 424 G N 0.562 109.770 108.800 0.680 0.000 2.753 424 G HA2 0.544 4.505 3.960 0.002 0.000 0.285 424 G HA3 0.544 4.505 3.960 0.002 0.000 0.285 424 G C 0.429 175.535 174.900 0.342 0.000 1.344 424 G CA -0.268 45.144 45.100 0.520 0.000 1.050 424 G HN 0.597 nan 8.290 nan 0.000 0.532 425 I N -0.634 120.029 120.570 0.154 0.000 2.394 425 I HA 0.024 4.195 4.170 0.002 0.000 0.251 425 I C 2.351 178.495 176.117 0.045 0.000 1.136 425 I CA 1.312 62.649 61.300 0.061 0.000 1.425 425 I CB -0.005 38.068 38.000 0.122 0.000 1.079 425 I HN 0.454 nan 8.210 nan 0.000 0.425 426 K N -0.033 120.429 120.400 0.102 0.000 2.486 426 K HA -0.052 4.269 4.320 0.002 0.000 0.194 426 K C 1.350 178.004 176.600 0.089 0.000 1.033 426 K CA 0.777 57.130 56.287 0.109 0.000 1.004 426 K CB 0.111 32.681 32.500 0.118 0.000 0.798 426 K HN 0.305 nan 8.250 nan 0.000 0.495 427 E N 0.681 120.940 120.200 0.098 0.000 2.290 427 E HA 0.002 4.354 4.350 0.002 0.000 0.197 427 E C 1.465 177.858 176.600 -0.345 0.000 0.948 427 E CA 0.296 56.791 56.400 0.158 0.000 0.895 427 E CB 0.149 30.242 29.700 0.654 0.000 0.865 427 E HN 0.096 nan 8.360 nan 0.000 0.486 428 K N 0.417 120.236 120.400 -0.968 0.000 2.032 428 K HA -0.216 4.105 4.320 0.002 0.000 0.218 428 K C 1.163 177.166 176.600 -0.996 0.000 1.054 428 K CA 1.902 57.111 56.287 -1.796 0.000 0.941 428 K CB -0.269 31.368 32.500 -1.439 0.000 0.720 428 K HN 0.097 nan 8.250 nan 0.000 0.449 429 F N 0.534 120.307 119.950 -0.295 0.000 2.661 429 F HA 0.089 4.617 4.527 0.002 0.000 0.298 429 F C 1.880 177.564 175.800 -0.194 0.000 1.137 429 F CA 0.318 58.224 58.000 -0.158 0.000 1.454 429 F CB -0.132 38.815 39.000 -0.089 0.000 1.103 429 F HN 0.035 nan 8.300 nan 0.000 0.577 430 I N -1.074 119.358 120.570 -0.229 0.000 2.163 430 I HA -0.271 3.901 4.170 0.002 0.000 0.240 430 I C 2.008 177.814 176.117 -0.518 0.000 1.081 430 I CA 1.454 62.480 61.300 -0.455 0.000 1.353 430 I CB -0.431 37.086 38.000 -0.805 0.000 1.054 430 I HN -0.005 nan 8.210 nan 0.000 0.407 431 F N 0.888 120.793 119.950 -0.076 0.000 2.293 431 F HA -0.096 4.432 4.527 0.002 0.000 0.297 431 F C 2.667 178.488 175.800 0.035 0.000 1.089 431 F CA 0.858 58.838 58.000 -0.034 0.000 1.377 431 F CB -0.839 38.171 39.000 0.017 0.000 1.051 431 F HN 0.040 nan 8.300 nan 0.000 0.511 432 Q N 0.405 120.327 119.800 0.204 0.000 2.135 432 Q HA -0.230 4.111 4.340 0.002 0.000 0.204 432 Q C 2.023 178.210 176.000 0.312 0.000 0.981 432 Q CA 1.539 57.562 55.803 0.366 0.000 0.856 432 Q CB -0.260 28.709 28.738 0.385 0.000 0.902 432 Q HN 0.414 nan 8.270 nan 0.000 0.425 433 K N 0.011 120.506 120.400 0.158 0.000 2.211 433 K HA -0.028 4.293 4.320 0.002 0.000 0.203 433 K C 1.740 178.398 176.600 0.096 0.000 1.050 433 K CA 0.844 57.195 56.287 0.108 0.000 0.945 433 K CB 0.080 32.603 32.500 0.038 0.000 0.732 433 K HN 0.212 nan 8.250 nan 0.000 0.451 434 M N -0.610 119.042 119.600 0.086 0.000 2.659 434 M HA 0.035 4.516 4.480 0.002 0.000 0.243 434 M C 0.801 177.167 176.300 0.112 0.000 1.111 434 M CA 0.797 56.143 55.300 0.078 0.000 1.070 434 M CB 0.527 33.175 32.600 0.081 0.000 1.525 434 M HN 0.419 nan 8.290 nan 0.000 0.517 435 G N 1.581 110.499 108.800 0.196 0.000 2.141 435 G HA2 -0.225 3.736 3.960 0.002 0.000 0.231 435 G HA3 -0.225 3.736 3.960 0.002 0.000 0.231 435 G C -0.054 174.859 174.900 0.022 0.000 0.984 435 G CA -0.407 44.847 45.100 0.257 0.000 0.660 435 G HN 0.447 nan 8.290 nan 0.000 0.525 436 I N 1.517 122.022 120.570 -0.108 0.000 2.339 436 I HA 0.352 4.524 4.170 0.002 0.000 0.290 436 I C -2.043 173.664 176.117 -0.682 0.000 0.994 436 I CA -2.638 58.463 61.300 -0.333 0.000 1.191 436 I CB 1.775 39.708 38.000 -0.111 0.000 1.343 436 I HN -0.201 nan 8.210 nan 0.000 0.458 437 P HA -0.097 nan 4.420 nan 0.000 0.259 437 P C -1.056 176.120 177.300 -0.205 0.000 1.163 437 P CA 0.576 63.139 63.100 -0.894 0.000 0.760 437 P CB 0.101 31.386 31.700 -0.692 0.000 0.762 438 F N 4.389 124.289 119.950 -0.084 0.000 2.540 438 F HA 0.571 5.099 4.527 0.002 0.000 0.317 438 F C -0.347 175.508 175.800 0.091 0.000 1.104 438 F CA -0.802 57.214 58.000 0.026 0.000 0.913 438 F CB 1.583 40.637 39.000 0.089 0.000 1.170 438 F HN 0.050 nan 8.300 nan 0.000 0.450 439 R N 3.752 124.059 120.500 -0.321 0.000 2.621 439 R HA 0.277 4.618 4.340 0.002 0.000 0.292 439 R C -1.108 175.043 176.300 -0.249 0.000 0.969 439 R CA -0.869 55.193 56.100 -0.064 0.000 0.887 439 R CB 1.924 32.247 30.300 0.039 0.000 1.180 439 R HN 0.760 nan 8.270 nan 0.000 0.450 440 E N 3.121 123.401 120.200 0.133 0.000 2.180 440 E HA 0.111 4.463 4.350 0.002 0.000 0.283 440 E C 0.490 177.215 176.600 0.208 0.000 1.061 440 E CA -0.074 56.458 56.400 0.220 0.000 0.861 440 E CB 0.781 30.591 29.700 0.185 0.000 1.056 440 E HN 0.170 nan 8.360 nan 0.000 0.407 441 M N 2.621 122.323 119.600 0.171 0.000 2.453 441 M HA 0.072 4.553 4.480 0.002 0.000 0.239 441 M C 0.748 176.984 176.300 -0.105 0.000 1.151 441 M CA 0.460 55.905 55.300 0.242 0.000 0.989 441 M CB -0.489 32.211 32.600 0.167 0.000 1.548 441 M HN 0.546 nan 8.290 nan 0.000 0.479 442 H N -0.882 118.075 119.070 -0.189 0.000 2.348 442 H HA 0.183 4.740 4.556 0.002 0.000 0.306 442 H C 1.676 176.651 175.328 -0.588 0.000 1.034 442 H CA 1.432 57.255 56.048 -0.376 0.000 1.395 442 H CB 0.205 29.864 29.762 -0.172 0.000 1.495 442 H HN 0.352 nan 8.280 nan 0.000 0.616 443 S N -0.348 115.223 115.700 -0.217 0.000 2.603 443 S HA -0.078 4.393 4.470 0.002 0.000 0.220 443 S C 0.256 174.688 174.600 -0.279 0.000 0.967 443 S CA -0.270 57.749 58.200 -0.302 0.000 0.920 443 S CB -0.887 62.205 63.200 -0.181 0.000 0.773 443 S HN 0.629 nan 8.310 nan 0.000 0.529 444 W N 1.301 122.442 121.300 -0.264 0.000 4.551 444 W HA -0.212 4.449 4.660 0.002 0.000 0.343 444 W C -0.109 176.233 176.519 -0.295 0.000 1.269 444 W CA 0.030 57.134 57.345 -0.400 0.000 0.799 444 W CB -2.387 26.656 29.460 -0.695 0.000 2.352 444 W HN 0.314 nan 8.180 nan 0.000 1.462 445 D N -0.663 119.627 120.400 -0.184 0.000 2.686 445 D HA -0.257 4.384 4.640 0.002 0.000 0.235 445 D C 0.265 176.278 176.300 -0.477 0.000 1.160 445 D CA 2.300 56.028 54.000 -0.453 0.000 0.645 445 D CB -1.231 39.557 40.800 -0.020 0.000 1.039 445 D HN 0.596 nan 8.370 nan 0.000 0.423 446 Y N -3.306 117.097 120.300 0.173 0.000 4.604 446 Y HA -0.308 4.243 4.550 0.002 0.000 0.230 446 Y C 1.260 177.264 175.900 0.175 0.000 1.066 446 Y CA 1.045 59.242 58.100 0.162 0.000 1.990 446 Y CB -2.194 36.361 38.460 0.159 0.000 1.619 446 Y HN 0.225 nan 8.280 nan 0.000 0.649 447 S N -1.029 114.778 115.700 0.178 0.000 3.124 447 S HA 0.835 5.306 4.470 0.002 0.000 0.234 447 S C 0.901 175.591 174.600 0.149 0.000 1.045 447 S CA 0.593 58.907 58.200 0.189 0.000 1.200 447 S CB 1.175 64.492 63.200 0.195 0.000 1.186 447 S HN 1.752 nan 8.310 nan 0.000 0.617 448 G N 1.094 109.969 108.800 0.124 0.000 2.796 448 G HA2 -0.095 3.866 3.960 0.002 0.000 0.571 448 G HA3 -0.095 3.866 3.960 0.002 0.000 0.571 448 G C -3.010 171.975 174.900 0.142 0.000 1.370 448 G CA -0.411 44.702 45.100 0.022 0.000 0.856 448 G HN 0.660 nan 8.290 nan 0.000 0.538 449 P HA 0.194 nan 4.420 nan 0.000 0.268 449 P C -0.282 177.080 177.300 0.104 0.000 1.208 449 P CA 0.200 63.346 63.100 0.078 0.000 0.777 449 P CB 0.364 32.125 31.700 0.102 0.000 0.875 450 Y N -0.999 119.081 120.300 -0.366 0.000 2.458 450 Y HA 0.173 4.724 4.550 0.002 0.000 0.256 450 Y C 1.355 177.175 175.900 -0.134 0.000 1.159 450 Y CA -0.489 57.391 58.100 -0.367 0.000 1.261 450 Y CB -0.780 37.178 38.460 -0.837 0.000 1.119 450 Y HN 0.438 nan 8.280 nan 0.000 0.524 451 H N -0.742 118.280 119.070 -0.081 0.000 2.511 451 H HA 0.466 5.023 4.556 0.002 0.000 0.346 451 H C 0.970 176.182 175.328 -0.194 0.000 1.128 451 H CA -0.001 55.895 56.048 -0.254 0.000 1.342 451 H CB 1.143 30.764 29.762 -0.236 0.000 1.470 451 H HN 0.335 nan 8.280 nan 0.000 0.546 452 G N 0.841 109.494 108.800 -0.246 0.000 2.693 452 G HA2 -0.319 3.642 3.960 0.002 0.000 0.226 452 G HA3 -0.319 3.642 3.960 0.002 0.000 0.226 452 G C -0.019 174.636 174.900 -0.407 0.000 1.354 452 G CA 0.167 44.928 45.100 -0.565 0.000 0.873 452 G HN 0.500 nan 8.290 nan 0.000 0.562 453 F N 0.065 119.866 119.950 -0.248 0.000 2.270 453 F HA 0.154 4.682 4.527 0.002 0.000 0.295 453 F C 2.536 178.407 175.800 0.119 0.000 1.087 453 F CA 1.482 59.448 58.000 -0.057 0.000 1.365 453 F CB -0.299 38.601 39.000 -0.166 0.000 1.056 453 F HN 0.358 nan 8.300 nan 0.000 0.506 454 D N 0.082 120.629 120.400 0.245 0.000 2.144 454 D HA -0.095 4.546 4.640 0.002 0.000 0.200 454 D C 2.538 178.946 176.300 0.180 0.000 0.978 454 D CA 1.419 55.556 54.000 0.228 0.000 0.833 454 D CB -0.867 40.054 40.800 0.201 0.000 0.961 454 D HN 0.304 nan 8.370 nan 0.000 0.470 455 G N 0.101 108.986 108.800 0.142 0.000 2.422 455 G HA2 -0.278 3.684 3.960 0.002 0.000 0.218 455 G HA3 -0.278 3.684 3.960 0.002 0.000 0.218 455 G C 1.447 176.424 174.900 0.128 0.000 1.146 455 G CA 0.216 45.394 45.100 0.130 0.000 0.769 455 G HN 0.227 nan 8.290 nan 0.000 0.547 456 F N 2.650 122.610 119.950 0.018 0.000 2.161 456 F HA 0.009 4.537 4.527 0.002 0.000 0.300 456 F C 2.678 178.530 175.800 0.086 0.000 1.089 456 F CA 0.917 58.949 58.000 0.052 0.000 1.282 456 F CB -0.374 38.675 39.000 0.081 0.000 1.010 456 F HN 0.233 nan 8.300 nan 0.000 0.485 457 A N 0.740 123.550 122.820 -0.017 0.000 1.858 457 A HA -0.155 4.167 4.320 0.002 0.000 0.216 457 A C 2.318 179.774 177.584 -0.213 0.000 1.190 457 A CA 2.086 54.063 52.037 -0.101 0.000 0.617 457 A CB -1.191 17.863 19.000 0.090 0.000 0.827 457 A HN 0.451 nan 8.150 nan 0.000 0.443 458 I N -1.724 118.783 120.570 -0.106 0.000 2.179 458 I HA -0.219 3.952 4.170 0.002 0.000 0.242 458 I C 2.362 178.287 176.117 -0.321 0.000 1.088 458 I CA 1.656 62.894 61.300 -0.104 0.000 1.357 458 I CB -0.492 37.553 38.000 0.074 0.000 1.051 458 I HN 0.444 nan 8.210 nan 0.000 0.409 459 F N 2.210 121.724 119.950 -0.727 0.000 2.063 459 F HA -0.338 4.190 4.527 0.002 0.000 0.298 459 F C 2.451 177.724 175.800 -0.877 0.000 1.109 459 F CA 1.662 58.891 58.000 -1.285 0.000 1.212 459 F CB -0.581 37.663 39.000 -1.259 0.000 0.973 459 F HN 0.025 nan 8.300 nan 0.000 0.480 460 A N 1.037 123.226 122.820 -1.051 0.000 1.902 460 A HA -0.199 4.123 4.320 0.002 0.000 0.217 460 A C 2.490 179.310 177.584 -1.273 0.000 1.181 460 A CA 1.666 53.004 52.037 -1.166 0.000 0.623 460 A CB -0.929 17.451 19.000 -1.033 0.000 0.818 460 A HN 0.492 nan 8.150 nan 0.000 0.443 461 R N -0.082 119.738 120.500 -1.132 0.000 2.081 461 R HA -0.173 4.168 4.340 0.002 0.000 0.235 461 R C 1.251 177.256 176.300 -0.491 0.000 1.131 461 R CA 2.066 57.638 56.100 -0.881 0.000 0.960 461 R CB -0.595 29.474 30.300 -0.384 0.000 0.856 461 R HN 0.452 nan 8.270 nan 0.000 0.436 462 D N 0.351 120.503 120.400 -0.413 0.000 2.117 462 D HA -0.156 4.485 4.640 0.002 0.000 0.197 462 D C 1.993 178.139 176.300 -0.258 0.000 0.987 462 D CA 1.119 54.983 54.000 -0.228 0.000 0.829 462 D CB -0.121 40.619 40.800 -0.100 0.000 0.961 462 D HN 0.184 nan 8.370 nan 0.000 0.460 463 M N 0.519 119.825 119.600 -0.489 0.000 2.159 463 M HA -0.112 4.369 4.480 0.002 0.000 0.263 463 M C 1.815 177.975 176.300 -0.232 0.000 1.063 463 M CA 1.164 56.232 55.300 -0.387 0.000 1.110 463 M CB -0.936 31.292 32.600 -0.621 0.000 1.374 463 M HN 0.011 nan 8.290 nan 0.000 0.411 464 D N 0.674 120.910 120.400 -0.274 0.000 2.097 464 D HA -0.166 4.475 4.640 0.002 0.000 0.197 464 D C 2.071 178.366 176.300 -0.008 0.000 0.984 464 D CA 1.676 55.616 54.000 -0.101 0.000 0.826 464 D CB -0.150 40.627 40.800 -0.039 0.000 0.973 464 D HN 0.447 nan 8.370 nan 0.000 0.460 465 M N -1.103 118.485 119.600 -0.019 0.000 2.149 465 M HA -0.055 4.427 4.480 0.002 0.000 0.261 465 M C 1.877 178.250 176.300 0.121 0.000 1.064 465 M CA 1.779 57.112 55.300 0.056 0.000 1.102 465 M CB -0.656 31.971 32.600 0.045 0.000 1.369 465 M HN -0.177 nan 8.290 nan 0.000 0.408 466 T N 1.452 116.080 114.554 0.124 0.000 2.814 466 T HA 0.040 4.392 4.350 0.002 0.000 0.254 466 T C 1.754 176.628 174.700 0.289 0.000 1.037 466 T CA 1.077 63.330 62.100 0.256 0.000 1.143 466 T CB -0.273 68.715 68.868 0.199 0.000 0.866 466 T HN 0.299 nan 8.240 nan 0.000 0.431 467 L N 2.256 123.533 121.223 0.090 0.000 2.042 467 L HA 0.050 4.391 4.340 0.002 0.000 0.210 467 L C 0.982 177.917 176.870 0.108 0.000 1.076 467 L CA 1.803 56.643 54.840 0.001 0.000 0.749 467 L CB -0.982 41.053 42.059 -0.041 0.000 0.893 467 L HN 0.135 nan 8.230 nan 0.000 0.432 468 N N 0.508 119.296 118.700 0.146 0.000 2.327 468 N HA 0.017 4.758 4.740 0.002 0.000 0.231 468 N C -0.106 175.531 175.510 0.212 0.000 1.130 468 N CA -0.024 53.124 53.050 0.164 0.000 0.845 468 N CB -0.448 38.099 38.487 0.101 0.000 1.073 468 N HN 0.422 nan 8.380 nan 0.000 0.496 469 N N 2.039 120.943 118.700 0.339 0.000 2.520 469 N HA 0.078 4.819 4.740 0.002 0.000 0.273 469 N C -1.442 174.119 175.510 0.086 0.000 1.155 469 N CA -1.279 51.881 53.050 0.184 0.000 0.967 469 N CB 1.778 40.334 38.487 0.116 0.000 1.092 469 N HN -0.027 nan 8.380 nan 0.000 0.457 470 P HA -0.160 nan 4.420 nan 0.000 0.217 470 P C 1.557 178.793 177.300 -0.107 0.000 1.148 470 P CA 1.161 64.251 63.100 -0.018 0.000 0.834 470 P CB -0.306 31.384 31.700 -0.017 0.000 0.783 471 C N -3.703 115.428 119.300 -0.281 0.000 2.419 471 C HA -0.007 4.455 4.460 0.002 0.000 0.283 471 C C 2.454 177.187 174.990 -0.428 0.000 1.373 471 C CA -0.555 58.219 59.018 -0.407 0.000 1.781 471 C CB -2.535 24.855 27.740 -0.583 0.000 1.886 471 C HN 0.228 nan 8.230 nan 0.000 0.520 472 W N 1.209 122.530 121.300 0.035 0.000 2.519 472 W HA 0.125 4.787 4.660 0.003 0.000 0.266 472 W C 2.263 178.793 176.519 0.018 0.000 1.253 472 W CA 0.256 57.619 57.345 0.031 0.000 1.274 472 W CB -0.210 29.271 29.460 0.035 0.000 1.114 472 W HN 0.094 nan 8.180 nan 0.000 0.596 473 K N 0.553 121.040 120.400 0.144 0.000 2.439 473 K HA -0.044 4.277 4.320 0.002 0.000 0.197 473 K C 1.362 177.985 176.600 0.039 0.000 1.041 473 K CA 0.825 57.165 56.287 0.089 0.000 0.970 473 K CB -0.112 32.424 32.500 0.061 0.000 0.773 473 K HN -0.138 nan 8.250 nan 0.000 0.479 474 K N 0.247 120.653 120.400 0.009 0.000 2.397 474 K HA 0.205 4.527 4.320 0.002 0.000 0.202 474 K C 0.876 177.459 176.600 -0.028 0.000 1.022 474 K CA 0.056 56.329 56.287 -0.024 0.000 1.141 474 K CB 0.430 32.900 32.500 -0.051 0.000 0.857 474 K HN 0.093 nan 8.250 nan 0.000 0.514 475 L N 0.152 121.380 121.223 0.007 0.000 2.313 475 L HA 0.027 4.368 4.340 0.002 0.000 0.214 475 L C 1.065 177.906 176.870 -0.048 0.000 1.119 475 L CA 0.961 55.802 54.840 0.003 0.000 0.809 475 L CB -0.213 41.887 42.059 0.069 0.000 0.933 475 L HN 0.280 nan 8.230 nan 0.000 0.449 476 Q N 0.718 120.476 119.800 -0.071 0.000 2.290 476 Q HA 0.456 4.797 4.340 0.002 0.000 0.259 476 Q C -0.636 175.226 176.000 -0.229 0.000 0.941 476 Q CA -0.406 55.319 55.803 -0.130 0.000 0.912 476 Q CB 2.235 30.918 28.738 -0.091 0.000 1.244 476 Q HN 0.189 nan 8.270 nan 0.000 0.441 477 A N 5.496 128.075 122.820 -0.401 0.000 2.450 477 A HA 0.277 4.598 4.320 0.002 0.000 0.255 477 A C -1.887 175.293 177.584 -0.673 0.000 1.096 477 A CA -1.121 50.461 52.037 -0.760 0.000 0.778 477 A CB 0.150 18.323 19.000 -1.379 0.000 1.031 477 A HN 0.683 nan 8.150 nan 0.000 0.494 478 P HA -0.133 nan 4.420 nan 0.000 0.221 478 P C 0.802 178.117 177.300 0.025 0.000 1.145 478 P CA 1.552 64.592 63.100 -0.101 0.000 0.795 478 P CB -0.018 31.721 31.700 0.065 0.000 0.775 479 W N -0.625 120.681 121.300 0.009 0.000 3.180 479 W HA 0.277 4.938 4.660 0.001 0.000 0.254 479 W C 0.566 177.090 176.519 0.009 0.000 1.318 479 W CA -0.109 57.241 57.345 0.008 0.000 1.608 479 W CB -0.629 28.835 29.460 0.006 0.000 1.124 479 W HN -0.030 nan 8.180 nan 0.000 0.694 480 E N 0.981 121.071 120.200 -0.183 0.000 3.858 480 E HA 0.453 4.804 4.350 0.002 0.000 0.208 480 E C 0.013 176.543 176.600 -0.117 0.000 1.041 480 E CA -0.325 55.993 56.400 -0.137 0.000 1.368 480 E CB -0.061 29.467 29.700 -0.288 0.000 1.176 480 E HN 0.168 nan 8.360 nan 0.000 0.448 481 A N 0.000 122.786 122.820 -0.056 0.000 2.254 481 A HA 0.000 4.321 4.320 0.002 0.000 0.244 481 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 481 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 481 A HN 0.000 nan 8.150 nan 0.000 0.486