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 2afi_1_A DATA FIRST_RESID 5 DATA SEQUENCE SREEVESLIQ EVLEVYPEKA RKDRNKHLAV NDPAVTQSKK 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 LQAPWE 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 0.000 174.590 174.600 -0.017 0.000 1.055 5 S CA 0.000 58.191 58.200 -0.016 0.000 1.107 5 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 6 R N 0.653 121.145 120.500 -0.013 0.000 2.075 6 R HA 0.022 4.365 4.340 0.005 0.000 0.232 6 R C 1.968 178.263 176.300 -0.009 0.000 1.126 6 R CA 1.917 58.009 56.100 -0.013 0.000 0.963 6 R CB -0.468 29.827 30.300 -0.009 0.000 0.858 6 R HN 0.827 nan 8.270 nan 0.000 0.435 7 E N 0.095 120.292 120.200 -0.005 0.000 2.106 7 E HA -0.192 4.161 4.350 0.005 0.000 0.192 7 E C 1.649 178.249 176.600 -0.000 0.000 0.984 7 E CA 1.398 57.798 56.400 -0.001 0.000 0.806 7 E CB 0.179 29.880 29.700 0.001 0.000 0.750 7 E HN 0.429 nan 8.360 nan 0.000 0.458 8 E N -0.418 119.779 120.200 -0.005 0.000 2.072 8 E HA -0.156 4.197 4.350 0.005 0.000 0.191 8 E C 2.102 178.696 176.600 -0.009 0.000 0.985 8 E CA 1.215 57.612 56.400 -0.005 0.000 0.801 8 E CB 0.162 29.857 29.700 -0.009 0.000 0.750 8 E HN 0.099 nan 8.360 nan 0.000 0.452 9 V N 1.337 121.239 119.914 -0.021 0.000 2.358 9 V HA -0.246 3.877 4.120 0.005 0.000 0.246 9 V C 2.033 178.113 176.094 -0.023 0.000 1.047 9 V CA 1.818 64.093 62.300 -0.042 0.000 1.035 9 V CB -0.437 31.352 31.823 -0.057 0.000 0.658 9 V HN 0.230 nan 8.190 nan 0.000 0.452 10 E N 0.517 120.714 120.200 -0.006 0.000 2.077 10 E HA -0.215 4.138 4.350 0.005 0.000 0.193 10 E C 2.419 179.038 176.600 0.031 0.000 0.989 10 E CA 1.674 58.082 56.400 0.013 0.000 0.800 10 E CB -0.219 29.487 29.700 0.011 0.000 0.746 10 E HN 0.714 nan 8.360 nan 0.000 0.452 11 S N 0.958 116.673 115.700 0.026 0.000 2.368 11 S HA -0.155 4.318 4.470 0.005 0.000 0.224 11 S C 2.110 176.742 174.600 0.054 0.000 1.029 11 S CA 0.848 59.069 58.200 0.035 0.000 0.988 11 S CB -0.258 62.956 63.200 0.024 0.000 0.838 11 S HN 0.229 nan 8.310 nan 0.000 0.462 12 L N 1.473 122.727 121.223 0.051 0.000 2.046 12 L HA 0.110 4.453 4.340 0.005 0.000 0.208 12 L C 2.231 179.204 176.870 0.170 0.000 1.077 12 L CA 1.660 56.552 54.840 0.087 0.000 0.747 12 L CB -0.617 41.472 42.059 0.050 0.000 0.896 12 L HN 0.430 nan 8.230 nan 0.000 0.432 13 I N -0.945 119.717 120.570 0.153 0.000 2.252 13 I HA -0.251 3.922 4.170 0.005 0.000 0.245 13 I C 2.430 178.665 176.117 0.197 0.000 1.102 13 I CA 0.752 62.199 61.300 0.246 0.000 1.385 13 I CB -0.383 37.713 38.000 0.160 0.000 1.064 13 I HN 0.336 nan 8.210 nan 0.000 0.414 14 Q N 0.453 120.329 119.800 0.127 0.000 2.079 14 Q HA -0.228 4.115 4.340 0.005 0.000 0.200 14 Q C 1.986 178.041 176.000 0.093 0.000 0.974 14 Q CA 1.447 57.311 55.803 0.102 0.000 0.840 14 Q CB -0.376 28.405 28.738 0.071 0.000 0.898 14 Q HN 0.515 nan 8.270 nan 0.000 0.430 15 E N -0.340 119.911 120.200 0.086 0.000 2.077 15 E HA -0.132 4.221 4.350 0.005 0.000 0.193 15 E C 1.912 178.552 176.600 0.066 0.000 0.989 15 E CA 1.126 57.566 56.400 0.066 0.000 0.800 15 E CB 0.233 29.968 29.700 0.059 0.000 0.746 15 E HN 0.102 nan 8.360 nan 0.000 0.452 16 V N 1.084 121.050 119.914 0.086 0.000 2.358 16 V HA -0.234 3.889 4.120 0.005 0.000 0.246 16 V C 2.305 178.425 176.094 0.043 0.000 1.047 16 V CA 1.338 63.663 62.300 0.042 0.000 1.035 16 V CB -0.357 31.439 31.823 -0.046 0.000 0.658 16 V HN 0.353 nan 8.190 nan 0.000 0.452 17 L N -0.051 121.228 121.223 0.095 0.000 2.447 17 L HA -0.169 4.174 4.340 0.005 0.000 0.225 17 L C 2.420 179.326 176.870 0.060 0.000 1.148 17 L CA 1.089 56.012 54.840 0.138 0.000 0.808 17 L CB -0.634 41.562 42.059 0.229 0.000 0.928 17 L HN 0.464 nan 8.230 nan 0.000 0.448 18 E N -0.537 119.673 120.200 0.018 0.000 2.204 18 E HA -0.206 4.147 4.350 0.005 0.000 0.195 18 E C 2.276 178.844 176.600 -0.054 0.000 0.990 18 E CA 1.019 57.420 56.400 0.002 0.000 0.821 18 E CB -0.059 29.647 29.700 0.010 0.000 0.750 18 E HN 0.330 nan 8.360 nan 0.000 0.477 19 V N 0.794 120.605 119.914 -0.172 0.000 2.427 19 V HA -0.174 3.949 4.120 0.005 0.000 0.248 19 V C 0.406 176.371 176.094 -0.216 0.000 1.051 19 V CA 1.116 63.249 62.300 -0.279 0.000 1.048 19 V CB -0.225 31.259 31.823 -0.565 0.000 0.666 19 V HN 0.088 nan 8.190 nan 0.000 0.456 20 Y N 1.108 121.346 120.300 -0.103 0.000 2.480 20 Y HA 0.342 4.895 4.550 0.005 0.000 0.338 20 Y C -1.422 174.454 175.900 -0.040 0.000 1.220 20 Y CA -2.862 55.192 58.100 -0.077 0.000 1.430 20 Y CB -0.951 37.490 38.460 -0.032 0.000 1.311 20 Y HN 0.204 nan 8.280 nan 0.000 0.575 21 P HA 0.039 nan 4.420 nan 0.000 0.272 21 P C 0.512 177.854 177.300 0.070 0.000 1.240 21 P CA -0.170 62.971 63.100 0.068 0.000 0.791 21 P CB 0.824 32.547 31.700 0.039 0.000 0.978 22 E N 1.462 121.689 120.200 0.045 0.000 2.077 22 E HA -0.230 4.123 4.350 0.005 0.000 0.193 22 E C 1.719 178.335 176.600 0.026 0.000 0.989 22 E CA 1.672 58.096 56.400 0.040 0.000 0.800 22 E CB -0.334 29.384 29.700 0.030 0.000 0.746 22 E HN 0.315 nan 8.360 nan 0.000 0.452 23 K N -0.431 119.976 120.400 0.011 0.000 2.057 23 K HA -0.111 4.212 4.320 0.005 0.000 0.207 23 K C 2.014 178.602 176.600 -0.020 0.000 1.049 23 K CA 1.294 57.581 56.287 -0.000 0.000 0.931 23 K CB -0.235 32.262 32.500 -0.005 0.000 0.714 23 K HN 0.163 nan 8.250 nan 0.000 0.440 24 A N 1.807 124.598 122.820 -0.048 0.000 1.898 24 A HA -0.148 4.175 4.320 0.005 0.000 0.216 24 A C 2.210 179.699 177.584 -0.158 0.000 1.181 24 A CA 1.274 53.224 52.037 -0.145 0.000 0.620 24 A CB -0.571 18.300 19.000 -0.216 0.000 0.819 24 A HN 0.352 nan 8.150 nan 0.000 0.442 25 R N -0.110 120.379 120.500 -0.018 0.000 2.081 25 R HA -0.121 4.222 4.340 0.005 0.000 0.235 25 R C 2.175 178.521 176.300 0.078 0.000 1.131 25 R CA 1.812 57.977 56.100 0.108 0.000 0.960 25 R CB -0.309 30.099 30.300 0.181 0.000 0.856 25 R HN 0.506 nan 8.270 nan 0.000 0.436 26 K N 0.215 120.645 120.400 0.050 0.000 2.057 26 K HA -0.201 4.122 4.320 0.005 0.000 0.207 26 K C 1.739 178.368 176.600 0.049 0.000 1.049 26 K CA 2.025 58.340 56.287 0.047 0.000 0.931 26 K CB -0.213 32.306 32.500 0.032 0.000 0.714 26 K HN 0.182 nan 8.250 nan 0.000 0.440 27 D N 0.071 120.494 120.400 0.039 0.000 2.117 27 D HA -0.136 4.507 4.640 0.005 0.000 0.198 27 D C 1.921 178.320 176.300 0.165 0.000 0.982 27 D CA 1.056 55.102 54.000 0.078 0.000 0.828 27 D CB 0.235 41.064 40.800 0.049 0.000 0.967 27 D HN -0.020 nan 8.370 nan 0.000 0.464 28 R N 0.538 121.093 120.500 0.092 0.000 2.081 28 R HA -0.093 4.250 4.340 0.005 0.000 0.235 28 R C 2.063 178.491 176.300 0.214 0.000 1.131 28 R CA 0.781 56.971 56.100 0.150 0.000 0.960 28 R CB -1.528 28.775 30.300 0.005 0.000 0.856 28 R HN 0.347 nan 8.270 nan 0.000 0.436 29 N N 1.628 120.423 118.700 0.158 0.000 2.258 29 N HA -0.170 4.573 4.740 0.005 0.000 0.187 29 N C 1.173 176.727 175.510 0.074 0.000 1.012 29 N CA 1.247 54.377 53.050 0.134 0.000 0.870 29 N CB 0.054 38.602 38.487 0.102 0.000 0.977 29 N HN 0.298 nan 8.380 nan 0.000 0.434 30 K N -0.961 119.452 120.400 0.022 0.000 2.211 30 K HA -0.087 4.236 4.320 0.005 0.000 0.203 30 K C 1.042 177.470 176.600 -0.288 0.000 1.050 30 K CA 0.930 57.132 56.287 -0.141 0.000 0.945 30 K CB -0.088 32.284 32.500 -0.212 0.000 0.732 30 K HN 0.431 nan 8.250 nan 0.000 0.451 31 H N -0.525 118.566 119.070 0.034 0.000 2.539 31 H HA 0.200 4.759 4.556 0.005 0.000 0.269 31 H C -0.294 175.087 175.328 0.087 0.000 0.980 31 H CA 0.126 56.198 56.048 0.039 0.000 1.152 31 H CB 0.257 30.064 29.762 0.075 0.000 1.407 31 H HN -0.077 nan 8.280 nan 0.000 0.564 32 L N 0.921 122.254 121.223 0.182 0.000 2.333 32 L HA 0.721 5.064 4.340 0.005 0.000 0.280 32 L C -0.398 176.529 176.870 0.095 0.000 1.004 32 L CA -0.933 54.031 54.840 0.207 0.000 0.820 32 L CB 1.750 43.996 42.059 0.311 0.000 1.247 32 L HN 0.050 nan 8.230 nan 0.000 0.416 33 A N 3.034 125.889 122.820 0.058 0.000 2.498 33 A HA 0.812 5.135 4.320 0.005 0.000 0.298 33 A C -1.027 176.556 177.584 -0.002 0.000 1.075 33 A CA -0.540 51.504 52.037 0.011 0.000 0.714 33 A CB 1.988 20.973 19.000 -0.024 0.000 1.299 33 A HN 0.323 nan 8.150 nan 0.000 0.407 34 V N 2.708 122.616 119.914 -0.010 0.000 2.406 34 V HA 0.221 4.344 4.120 0.005 0.000 0.272 34 V C 0.694 176.781 176.094 -0.012 0.000 1.043 34 V CA -0.759 61.529 62.300 -0.020 0.000 0.915 34 V CB 1.172 32.984 31.823 -0.019 0.000 0.988 34 V HN 0.897 nan 8.190 nan 0.000 0.466 35 N N 3.651 122.344 118.700 -0.012 0.000 2.497 35 N HA 0.023 4.767 4.740 0.005 0.000 0.268 35 N C -1.032 174.475 175.510 -0.004 0.000 1.171 35 N CA -0.164 52.885 53.050 -0.003 0.000 0.948 35 N CB 0.759 39.246 38.487 -0.000 0.000 1.069 35 N HN 0.728 nan 8.380 nan 0.000 0.460 36 D N 4.243 124.643 120.400 0.001 0.000 2.425 36 D HA 0.295 4.938 4.640 0.005 0.000 0.240 36 D C -1.999 174.303 176.300 0.002 0.000 1.080 36 D CA -2.055 51.945 54.000 -0.001 0.000 0.836 36 D CB 2.036 42.835 40.800 -0.002 0.000 1.125 36 D HN 0.333 nan 8.370 nan 0.000 0.525 37 P HA 0.002 nan 4.420 nan 0.000 0.223 37 P C 0.931 178.231 177.300 -0.001 0.000 1.151 37 P CA 0.671 63.771 63.100 -0.000 0.000 0.787 37 P CB 0.393 32.090 31.700 -0.005 0.000 0.788 38 A N -0.436 122.383 122.820 -0.002 0.000 1.898 38 A HA -0.057 4.266 4.320 0.005 0.000 0.216 38 A C 1.061 178.645 177.584 -0.001 0.000 1.181 38 A CA 0.813 52.849 52.037 -0.003 0.000 0.620 38 A CB -1.398 17.600 19.000 -0.003 0.000 0.819 38 A HN 0.023 nan 8.150 nan 0.000 0.442 39 V N 1.955 121.870 119.914 0.001 0.000 2.493 39 V HA 0.012 4.135 4.120 0.005 0.000 0.292 39 V C 1.960 178.057 176.094 0.006 0.000 1.016 39 V CA 0.846 63.148 62.300 0.003 0.000 1.097 39 V CB 0.219 32.045 31.823 0.005 0.000 0.947 39 V HN 0.740 nan 8.190 nan 0.000 0.479 40 T N 2.166 116.722 114.554 0.003 0.000 2.777 40 T HA -0.093 4.260 4.350 0.005 0.000 0.266 40 T C 0.684 175.389 174.700 0.009 0.000 1.040 40 T CA 0.823 62.925 62.100 0.003 0.000 1.141 40 T CB -0.057 68.811 68.868 -0.000 0.000 0.868 40 T HN 0.654 nan 8.240 nan 0.000 0.444 41 Q N 1.161 120.967 119.800 0.010 0.000 2.293 41 Q HA 0.480 4.823 4.340 0.005 0.000 0.261 41 Q C 1.161 177.172 176.000 0.018 0.000 0.960 41 Q CA -0.274 55.539 55.803 0.016 0.000 0.882 41 Q CB 2.022 30.766 28.738 0.012 0.000 1.275 41 Q HN 0.479 nan 8.270 nan 0.000 0.445 42 S N 2.613 118.333 115.700 0.033 0.000 2.368 42 S HA -0.166 4.308 4.470 0.005 0.000 0.224 42 S C 1.340 175.935 174.600 -0.009 0.000 1.029 42 S CA 0.851 59.073 58.200 0.036 0.000 0.988 42 S CB -0.049 63.213 63.200 0.103 0.000 0.838 42 S HN 0.537 nan 8.310 nan 0.000 0.462 43 K N 1.506 121.904 120.400 -0.004 0.000 2.218 43 K HA -0.114 4.210 4.320 0.005 0.000 0.205 43 K C 2.197 178.777 176.600 -0.033 0.000 1.046 43 K CA 1.536 57.808 56.287 -0.025 0.000 0.933 43 K CB -0.183 32.311 32.500 -0.009 0.000 0.728 43 K HN 0.494 nan 8.250 nan 0.000 0.454 44 K N 0.169 120.557 120.400 -0.020 0.000 2.025 44 K HA -0.097 4.226 4.320 0.005 0.000 0.207 44 K C 2.345 178.926 176.600 -0.033 0.000 1.049 44 K CA 1.484 57.759 56.287 -0.021 0.000 0.933 44 K CB -0.215 32.278 32.500 -0.011 0.000 0.714 44 K HN 0.135 nan 8.250 nan 0.000 0.438 45 C N 0.627 119.906 119.300 -0.034 0.000 2.453 45 C HA 0.125 4.588 4.460 0.005 0.000 0.277 45 C C 1.444 176.384 174.990 -0.084 0.000 1.262 45 C CA 0.042 59.033 59.018 -0.045 0.000 1.718 45 C CB -0.174 27.548 27.740 -0.031 0.000 2.031 45 C HN 0.394 nan 8.230 nan 0.000 0.480 46 I N -1.130 119.359 120.570 -0.135 0.000 2.994 46 I HA 0.541 4.714 4.170 0.005 0.000 0.306 46 I C -1.656 174.306 176.117 -0.257 0.000 1.195 46 I CA -0.769 60.395 61.300 -0.226 0.000 1.001 46 I CB 1.803 39.587 38.000 -0.361 0.000 1.244 46 I HN -0.015 nan 8.210 nan 0.000 0.437 47 I N 4.564 124.936 120.570 -0.329 0.000 2.562 47 I HA 0.655 4.828 4.170 0.005 0.000 0.301 47 I C -0.483 175.461 176.117 -0.289 0.000 1.003 47 I CA 0.235 61.356 61.300 -0.298 0.000 1.127 47 I CB 1.841 39.638 38.000 -0.338 0.000 1.304 47 I HN 0.636 nan 8.210 nan 0.000 0.446 48 S N 4.662 120.334 115.700 -0.047 0.000 2.625 48 S HA 0.463 4.936 4.470 0.005 0.000 0.271 48 S C -0.302 174.419 174.600 0.201 0.000 1.161 48 S CA -0.477 57.829 58.200 0.176 0.000 0.820 48 S CB 1.079 64.414 63.200 0.224 0.000 1.137 48 S HN 0.898 nan 8.310 nan 0.000 0.470 49 N N 0.501 119.349 118.700 0.247 0.000 2.746 49 N HA -0.123 4.620 4.740 0.005 0.000 0.250 49 N C -1.143 174.429 175.510 0.103 0.000 1.055 49 N CA 0.504 53.647 53.050 0.155 0.000 0.699 49 N CB -0.635 37.843 38.487 -0.014 0.000 0.919 49 N HN 0.565 nan 8.380 nan 0.000 0.548 50 K N 1.188 121.676 120.400 0.147 0.000 2.340 50 K HA 0.289 4.612 4.320 0.005 0.000 0.244 50 K C -0.111 176.524 176.600 0.059 0.000 0.973 50 K CA -0.713 55.641 56.287 0.111 0.000 0.828 50 K CB 1.385 33.999 32.500 0.189 0.000 1.226 50 K HN 0.300 nan 8.250 nan 0.000 0.437 51 K N 0.104 120.529 120.400 0.040 0.000 2.489 51 K HA 0.142 4.465 4.320 0.005 0.000 0.278 51 K C -0.189 176.408 176.600 -0.005 0.000 1.000 51 K CA 0.121 56.421 56.287 0.022 0.000 1.012 51 K CB 0.250 32.762 32.500 0.021 0.000 0.903 51 K HN 0.254 nan 8.250 nan 0.000 0.485 52 S N 2.950 118.644 115.700 -0.010 0.000 2.576 52 S HA 0.017 4.490 4.470 0.005 0.000 0.276 52 S C -0.154 174.422 174.600 -0.039 0.000 1.339 52 S CA -0.847 57.331 58.200 -0.038 0.000 1.039 52 S CB 0.545 63.741 63.200 -0.006 0.000 0.902 52 S HN 0.524 nan 8.310 nan 0.000 0.516 53 Q N 3.128 122.886 119.800 -0.070 0.000 2.304 53 Q HA 0.235 4.578 4.340 0.005 0.000 0.260 53 Q C -2.049 173.921 176.000 -0.050 0.000 0.965 53 Q CA -1.652 54.107 55.803 -0.072 0.000 0.898 53 Q CB 0.118 28.777 28.738 -0.132 0.000 1.196 53 Q HN 0.447 nan 8.270 nan 0.000 0.402 54 P HA 0.053 nan 4.420 nan 0.000 0.271 54 P C 0.467 177.758 177.300 -0.014 0.000 1.218 54 P CA 0.297 63.387 63.100 -0.017 0.000 0.780 54 P CB 0.677 32.370 31.700 -0.012 0.000 0.901 55 G N 1.853 110.652 108.800 -0.002 0.000 2.162 55 G HA2 -0.260 3.703 3.960 0.005 0.000 0.260 55 G HA3 -0.260 3.703 3.960 0.005 0.000 0.260 55 G C 0.539 175.451 174.900 0.020 0.000 0.976 55 G CA 0.282 45.386 45.100 0.006 0.000 0.655 55 G HN 0.510 nan 8.290 nan 0.000 0.533 56 L N -0.564 120.671 121.223 0.020 0.000 2.607 56 L HA 0.491 4.834 4.340 0.005 0.000 0.228 56 L C 1.622 178.539 176.870 0.079 0.000 1.123 56 L CA 0.286 55.159 54.840 0.054 0.000 0.890 56 L CB 0.124 42.187 42.059 0.005 0.000 1.103 56 L HN 0.374 nan 8.230 nan 0.000 0.468 57 M N 1.210 120.846 119.600 0.059 0.000 2.298 57 M HA -0.177 4.306 4.480 0.005 0.000 0.196 57 M C 0.491 176.840 176.300 0.083 0.000 0.531 57 M CA 0.418 55.759 55.300 0.068 0.000 0.459 57 M CB -0.850 31.797 32.600 0.078 0.000 1.279 57 M HN 0.371 nan 8.290 nan 0.000 0.915 58 T N -0.731 113.868 114.554 0.075 0.000 2.926 58 T HA 0.326 4.680 4.350 0.005 0.000 0.307 58 T C 0.978 175.755 174.700 0.128 0.000 1.059 58 T CA -0.144 62.015 62.100 0.099 0.000 1.122 58 T CB 0.551 69.468 68.868 0.081 0.000 0.972 58 T HN 0.420 nan 8.240 nan 0.000 0.545 59 I N 2.478 123.163 120.570 0.191 0.000 3.684 59 I HA 0.124 4.297 4.170 0.005 0.000 0.304 59 I C 1.519 177.743 176.117 0.179 0.000 1.278 59 I CA 0.052 61.477 61.300 0.208 0.000 1.272 59 I CB -0.101 38.099 38.000 0.332 0.000 1.029 59 I HN 0.476 nan 8.210 nan 0.000 0.458 60 R N 1.298 121.906 120.500 0.180 0.000 2.590 60 R HA 0.256 4.599 4.340 0.005 0.000 0.274 60 R C 0.655 177.022 176.300 0.112 0.000 1.061 60 R CA 0.022 56.231 56.100 0.182 0.000 1.081 60 R CB 0.495 30.900 30.300 0.175 0.000 0.984 60 R HN 0.160 nan 8.270 nan 0.000 0.448 61 G N 1.105 109.961 108.800 0.094 0.000 2.531 61 G HA2 0.353 4.316 3.960 0.005 0.000 0.281 61 G HA3 0.353 4.316 3.960 0.005 0.000 0.281 61 G C -0.088 174.814 174.900 0.004 0.000 1.382 61 G CA -0.657 44.467 45.100 0.040 0.000 1.045 61 G HN 0.824 nan 8.290 nan 0.000 0.533 62 C N -2.975 116.325 119.300 -0.001 0.000 2.380 62 C HA 0.807 5.270 4.460 0.005 0.000 0.393 62 C C 2.106 177.052 174.990 -0.073 0.000 1.284 62 C CA 0.118 59.124 59.018 -0.020 0.000 2.033 62 C CB 1.148 28.898 27.740 0.017 0.000 2.165 62 C HN 0.961 nan 8.230 nan 0.000 0.540 63 A N -0.656 122.111 122.820 -0.089 0.000 2.015 63 A HA -0.052 4.271 4.320 0.005 0.000 0.219 63 A C 1.885 179.414 177.584 -0.092 0.000 1.163 63 A CA 1.679 53.634 52.037 -0.137 0.000 0.646 63 A CB -1.027 17.880 19.000 -0.156 0.000 0.806 63 A HN 1.147 nan 8.150 nan 0.000 0.448 64 Y N 0.550 120.762 120.300 -0.146 0.000 2.200 64 Y HA -0.022 4.530 4.550 0.004 0.000 0.290 64 Y C 2.514 178.360 175.900 -0.090 0.000 1.137 64 Y CA 1.205 59.234 58.100 -0.118 0.000 1.163 64 Y CB -0.456 37.942 38.460 -0.103 0.000 0.988 64 Y HN 0.283 nan 8.280 nan 0.000 0.518 65 A N 0.345 123.160 122.820 -0.008 0.000 1.902 65 A HA -0.066 4.257 4.320 0.005 0.000 0.217 65 A C 2.444 179.916 177.584 -0.186 0.000 1.181 65 A CA 1.710 53.689 52.037 -0.097 0.000 0.623 65 A CB -1.689 17.310 19.000 -0.002 0.000 0.818 65 A HN 0.605 nan 8.150 nan 0.000 0.443 66 G N -0.933 107.745 108.800 -0.203 0.000 2.402 66 G HA2 -0.147 3.816 3.960 0.005 0.000 0.216 66 G HA3 -0.147 3.816 3.960 0.005 0.000 0.216 66 G C 1.985 176.840 174.900 -0.074 0.000 1.162 66 G CA 1.601 46.586 45.100 -0.193 0.000 0.777 66 G HN 0.638 nan 8.290 nan 0.000 0.539 67 S N -0.102 115.526 115.700 -0.120 0.000 2.345 67 S HA -0.043 4.430 4.470 0.005 0.000 0.219 67 S C 2.275 176.820 174.600 -0.091 0.000 1.031 67 S CA 1.774 59.954 58.200 -0.032 0.000 0.984 67 S CB -0.275 62.900 63.200 -0.042 0.000 0.874 67 S HN 0.241 nan 8.310 nan 0.000 0.451 68 K N 0.724 120.897 120.400 -0.379 0.000 2.062 68 K HA 0.027 4.351 4.320 0.005 0.000 0.205 68 K C 2.192 178.582 176.600 -0.350 0.000 1.051 68 K CA 1.459 57.464 56.287 -0.470 0.000 0.941 68 K CB -1.158 30.772 32.500 -0.951 0.000 0.719 68 K HN 0.459 nan 8.250 nan 0.000 0.440 69 G N 0.481 109.061 108.800 -0.367 0.000 2.402 69 G HA2 -0.121 3.842 3.960 0.005 0.000 0.216 69 G HA3 -0.121 3.842 3.960 0.005 0.000 0.216 69 G C 1.486 176.278 174.900 -0.180 0.000 1.162 69 G CA 0.933 45.905 45.100 -0.213 0.000 0.777 69 G HN 0.209 nan 8.290 nan 0.000 0.539 70 V N -0.336 119.456 119.914 -0.204 0.000 2.599 70 V HA 0.034 4.157 4.120 0.005 0.000 0.237 70 V C 2.796 178.684 176.094 -0.344 0.000 1.081 70 V CA 0.769 62.870 62.300 -0.332 0.000 1.107 70 V CB 0.091 31.707 31.823 -0.345 0.000 0.808 70 V HN 0.173 nan 8.190 nan 0.000 0.486 71 V N -1.011 118.789 119.914 -0.189 0.000 2.270 71 V HA -0.208 3.915 4.120 0.005 0.000 0.245 71 V C 2.112 178.046 176.094 -0.267 0.000 1.043 71 V CA 2.131 64.349 62.300 -0.136 0.000 1.014 71 V CB -0.776 30.970 31.823 -0.128 0.000 0.645 71 V HN 0.616 nan 8.190 nan 0.000 0.447 72 W N 0.769 121.928 121.300 -0.236 0.000 2.443 72 W HA 0.150 4.812 4.660 0.004 0.000 0.296 72 W C 2.623 178.736 176.519 -0.677 0.000 1.202 72 W CA 1.207 58.292 57.345 -0.433 0.000 1.312 72 W CB -1.113 28.034 29.460 -0.521 0.000 1.120 72 W HN 0.259 nan 8.180 nan 0.000 0.536 73 G N 0.934 109.540 108.800 -0.322 0.000 2.469 73 G HA2 -0.248 3.715 3.960 0.005 0.000 0.219 73 G HA3 -0.248 3.715 3.960 0.005 0.000 0.219 73 G C -0.853 174.044 174.900 -0.005 0.000 1.150 73 G CA 1.163 46.146 45.100 -0.195 0.000 0.763 73 G HN 0.148 nan 8.290 nan 0.000 0.561 74 P HA 0.017 nan 4.420 nan 0.000 0.222 74 P C 0.454 177.767 177.300 0.022 0.000 1.147 74 P CA 0.245 63.360 63.100 0.026 0.000 0.790 74 P CB 0.062 31.807 31.700 0.074 0.000 0.780 75 I N 1.006 121.612 120.570 0.060 0.000 2.587 75 I HA -0.098 4.075 4.170 0.005 0.000 0.284 75 I C 1.866 178.019 176.117 0.059 0.000 1.134 75 I CA 0.509 61.841 61.300 0.053 0.000 1.410 75 I CB 0.457 38.507 38.000 0.083 0.000 1.392 75 I HN -0.013 nan 8.210 nan 0.000 0.545 76 K N 4.405 124.786 120.400 -0.031 0.000 2.057 76 K HA -0.165 4.159 4.320 0.005 0.000 0.206 76 K C 0.909 177.468 176.600 -0.068 0.000 1.050 76 K CA 1.568 57.782 56.287 -0.122 0.000 0.935 76 K CB -0.293 32.147 32.500 -0.100 0.000 0.715 76 K HN 0.624 nan 8.250 nan 0.000 0.439 77 D N 1.414 121.815 120.400 0.001 0.000 2.117 77 D HA -0.114 4.529 4.640 0.005 0.000 0.198 77 D C 1.070 177.456 176.300 0.143 0.000 0.982 77 D CA 1.031 55.068 54.000 0.061 0.000 0.828 77 D CB -0.398 40.432 40.800 0.050 0.000 0.967 77 D HN 0.230 nan 8.370 nan 0.000 0.464 78 M N 0.209 119.828 119.600 0.031 0.000 2.228 78 M HA 0.268 4.751 4.480 0.005 0.000 0.326 78 M C 0.079 176.131 176.300 -0.413 0.000 1.122 78 M CA -0.171 55.055 55.300 -0.125 0.000 1.161 78 M CB 1.503 34.062 32.600 -0.068 0.000 1.437 78 M HN -0.177 nan 8.290 nan 0.000 0.465 79 I N 1.858 122.054 120.570 -0.622 0.000 2.354 79 I HA 0.234 4.407 4.170 0.005 0.000 0.292 79 I C -0.555 175.069 176.117 -0.820 0.000 0.989 79 I CA -0.652 60.111 61.300 -0.896 0.000 1.188 79 I CB 0.824 38.115 38.000 -1.182 0.000 1.342 79 I HN 0.535 nan 8.210 nan 0.000 0.457 80 H N 6.974 125.900 119.070 -0.240 0.000 2.511 80 H HA 0.415 4.973 4.556 0.005 0.000 0.328 80 H C -0.445 174.829 175.328 -0.090 0.000 1.044 80 H CA -0.750 55.207 56.048 -0.150 0.000 1.212 80 H CB 1.683 31.421 29.762 -0.041 0.000 1.428 80 H HN 0.267 nan 8.280 nan 0.000 0.483 81 I N 2.651 123.195 120.570 -0.043 0.000 2.342 81 I HA 0.067 4.240 4.170 0.005 0.000 0.291 81 I C 0.564 176.719 176.117 0.063 0.000 1.010 81 I CA -0.325 60.975 61.300 0.001 0.000 1.308 81 I CB 0.883 38.822 38.000 -0.101 0.000 1.400 81 I HN 0.349 nan 8.210 nan 0.000 0.488 82 S N 5.809 121.586 115.700 0.128 0.000 2.430 82 S HA 0.210 4.683 4.470 0.005 0.000 0.289 82 S C -0.190 174.466 174.600 0.094 0.000 1.143 82 S CA -0.355 57.939 58.200 0.157 0.000 1.067 82 S CB 0.141 63.435 63.200 0.156 0.000 0.964 82 S HN 0.427 nan 8.310 nan 0.000 0.485 83 H N 1.998 121.014 119.070 -0.090 0.000 2.594 83 H HA 0.657 5.216 4.556 0.005 0.000 0.304 83 H C 0.571 175.630 175.328 -0.449 0.000 1.068 83 H CA 1.003 56.934 56.048 -0.196 0.000 1.308 83 H CB 0.226 29.903 29.762 -0.142 0.000 1.409 83 H HN 0.902 nan 8.280 nan 0.000 0.460 84 G N 4.239 112.515 108.800 -0.873 0.000 2.278 84 G HA2 -0.068 3.896 3.960 0.005 0.000 0.265 84 G HA3 -0.068 3.896 3.960 0.005 0.000 0.265 84 G C -2.905 171.634 174.900 -0.601 0.000 1.329 84 G CA -0.985 43.408 45.100 -1.178 0.000 1.017 84 G HN 0.497 nan 8.290 nan 0.000 0.472 85 P HA 0.345 nan 4.420 nan 0.000 0.272 85 P C 1.153 178.372 177.300 -0.134 0.000 1.240 85 P CA -0.165 62.862 63.100 -0.121 0.000 0.791 85 P CB 1.248 32.888 31.700 -0.101 0.000 0.978 86 V N 1.941 121.802 119.914 -0.089 0.000 2.594 86 V HA -0.148 3.975 4.120 0.005 0.000 0.253 86 V C 2.088 178.053 176.094 -0.215 0.000 1.069 86 V CA 2.751 64.980 62.300 -0.119 0.000 1.082 86 V CB -1.487 30.281 31.823 -0.091 0.000 0.680 86 V HN 0.784 nan 8.190 nan 0.000 0.469 87 G N -1.014 107.644 108.800 -0.237 0.000 2.440 87 G HA2 -0.289 3.674 3.960 0.005 0.000 0.218 87 G HA3 -0.289 3.674 3.960 0.005 0.000 0.218 87 G C 1.718 176.329 174.900 -0.481 0.000 1.154 87 G CA 1.329 46.172 45.100 -0.429 0.000 0.767 87 G HN 0.595 nan 8.290 nan 0.000 0.552 88 C N 0.861 119.995 119.300 -0.277 0.000 2.429 88 C HA 0.084 4.547 4.460 0.005 0.000 0.277 88 C C 3.233 178.140 174.990 -0.139 0.000 1.262 88 C CA 0.586 59.438 59.018 -0.278 0.000 1.733 88 C CB -1.234 26.052 27.740 -0.757 0.000 2.010 88 C HN 0.487 nan 8.230 nan 0.000 0.483 89 G N -0.388 108.328 108.800 -0.139 0.000 2.402 89 G HA2 -0.238 3.725 3.960 0.005 0.000 0.216 89 G HA3 -0.238 3.725 3.960 0.005 0.000 0.216 89 G C 1.577 176.443 174.900 -0.057 0.000 1.162 89 G CA 1.093 46.196 45.100 0.006 0.000 0.777 89 G HN 0.542 nan 8.290 nan 0.000 0.539 90 Q N -0.375 119.294 119.800 -0.218 0.000 2.079 90 Q HA -0.065 4.278 4.340 0.005 0.000 0.200 90 Q C 2.243 178.127 176.000 -0.194 0.000 0.974 90 Q CA 1.339 56.983 55.803 -0.266 0.000 0.840 90 Q CB -0.427 28.038 28.738 -0.454 0.000 0.898 90 Q HN 0.554 nan 8.270 nan 0.000 0.430 91 Y N -0.087 120.226 120.300 0.021 0.000 2.200 91 Y HA -0.089 4.463 4.550 0.003 0.000 0.290 91 Y C 2.608 178.540 175.900 0.053 0.000 1.137 91 Y CA 1.319 59.438 58.100 0.030 0.000 1.163 91 Y CB -1.039 37.433 38.460 0.020 0.000 0.988 91 Y HN 0.313 nan 8.280 nan 0.000 0.518 92 S N 0.387 116.209 115.700 0.204 0.000 2.522 92 S HA -0.077 4.396 4.470 0.005 0.000 0.227 92 S C 1.137 175.805 174.600 0.113 0.000 0.986 92 S CA -0.315 57.984 58.200 0.166 0.000 0.929 92 S CB -0.466 62.863 63.200 0.215 0.000 0.769 92 S HN 0.329 nan 8.310 nan 0.000 0.529 93 R N 1.376 121.927 120.500 0.085 0.000 2.484 93 R HA 0.322 4.665 4.340 0.005 0.000 0.293 93 R C 0.944 177.291 176.300 0.078 0.000 1.023 93 R CA 0.721 56.861 56.100 0.066 0.000 1.037 93 R CB -0.333 29.984 30.300 0.027 0.000 0.951 93 R HN 0.499 nan 8.270 nan 0.000 0.418 94 A N 3.075 125.948 122.820 0.088 0.000 2.790 94 A HA -0.240 4.083 4.320 0.005 0.000 0.277 94 A C 1.358 179.011 177.584 0.115 0.000 1.435 94 A CA 1.411 53.512 52.037 0.106 0.000 0.877 94 A CB -2.152 16.905 19.000 0.095 0.000 1.007 94 A HN 1.052 nan 8.150 nan 0.000 0.613 95 G N -0.810 108.053 108.800 0.105 0.000 2.402 95 G HA2 0.083 4.046 3.960 0.005 0.000 0.216 95 G HA3 0.083 4.046 3.960 0.005 0.000 0.216 95 G C 0.767 175.732 174.900 0.108 0.000 1.162 95 G CA 1.042 46.208 45.100 0.110 0.000 0.777 95 G HN 0.935 nan 8.290 nan 0.000 0.539 96 R N 0.500 121.049 120.500 0.082 0.000 2.346 96 R HA 0.367 4.710 4.340 0.005 0.000 0.311 96 R C -0.132 176.229 176.300 0.101 0.000 0.983 96 R CA -0.703 55.429 56.100 0.054 0.000 0.880 96 R CB 0.661 30.961 30.300 -0.001 0.000 1.100 96 R HN 0.064 nan 8.270 nan 0.000 0.453 97 R N 4.188 124.743 120.500 0.093 0.000 4.138 97 R HA 0.108 4.451 4.340 0.005 0.000 0.206 97 R C -0.625 175.773 176.300 0.164 0.000 1.667 97 R CA -0.179 56.041 56.100 0.199 0.000 1.481 97 R CB -0.500 29.882 30.300 0.137 0.000 1.388 97 R HN 0.564 nan 8.270 nan 0.000 0.776 98 N N 2.207 121.022 118.700 0.191 0.000 2.469 98 N HA 0.047 4.790 4.740 0.005 0.000 0.239 98 N C -0.736 174.955 175.510 0.301 0.000 1.053 98 N CA -0.392 52.742 53.050 0.141 0.000 0.937 98 N CB 0.599 39.153 38.487 0.112 0.000 1.163 98 N HN 0.131 nan 8.380 nan 0.000 0.509 99 Y N 2.429 122.678 120.300 -0.084 0.000 2.511 99 Y HA 0.060 4.612 4.550 0.004 0.000 0.332 99 Y C 0.302 176.175 175.900 -0.045 0.000 1.177 99 Y CA -0.681 57.353 58.100 -0.110 0.000 1.422 99 Y CB 0.001 38.261 38.460 -0.333 0.000 1.271 99 Y HN 0.482 nan 8.280 nan 0.000 0.550 100 Y N 1.041 121.426 120.300 0.140 0.000 2.597 100 Y HA 0.752 5.305 4.550 0.005 0.000 0.340 100 Y C -1.744 174.352 175.900 0.326 0.000 1.097 100 Y CA -1.878 56.384 58.100 0.271 0.000 1.037 100 Y CB 1.073 39.615 38.460 0.137 0.000 1.305 100 Y HN 0.218 nan 8.280 nan 0.000 0.463 101 I N 2.590 123.370 120.570 0.351 0.000 2.362 101 I HA 0.825 4.998 4.170 0.005 0.000 0.289 101 I C 0.284 176.497 176.117 0.160 0.000 0.994 101 I CA -0.355 61.000 61.300 0.091 0.000 1.158 101 I CB 0.717 38.743 38.000 0.044 0.000 1.315 101 I HN 1.015 nan 8.210 nan 0.000 0.451 102 G N 4.114 112.959 108.800 0.075 0.000 2.349 102 G HA2 0.392 4.356 3.960 0.005 0.000 0.294 102 G HA3 0.392 4.356 3.960 0.005 0.000 0.294 102 G C -1.535 173.396 174.900 0.051 0.000 1.380 102 G CA -0.462 44.705 45.100 0.112 0.000 0.811 102 G HN 0.330 nan 8.290 nan 0.000 0.519 103 T N 1.706 116.268 114.554 0.014 0.000 2.770 103 T HA 0.559 4.912 4.350 0.005 0.000 0.297 103 T C 0.183 174.872 174.700 -0.019 0.000 0.997 103 T CA -0.143 61.959 62.100 0.004 0.000 0.949 103 T CB 0.965 69.833 68.868 0.001 0.000 0.941 103 T HN 0.592 nan 8.240 nan 0.000 0.457 104 T N 2.380 116.956 114.554 0.036 0.000 2.884 104 T HA 0.460 4.813 4.350 0.005 0.000 0.298 104 T C 1.556 176.311 174.700 0.091 0.000 0.998 104 T CA 0.364 62.491 62.100 0.045 0.000 1.124 104 T CB 0.861 69.814 68.868 0.141 0.000 0.931 104 T HN 0.929 nan 8.240 nan 0.000 0.531 105 G N 1.635 110.526 108.800 0.151 0.000 2.234 105 G HA2 -0.294 3.670 3.960 0.005 0.000 0.260 105 G HA3 -0.294 3.670 3.960 0.005 0.000 0.260 105 G C 0.737 175.970 174.900 0.556 0.000 0.987 105 G CA 0.395 45.792 45.100 0.494 0.000 0.625 105 G HN 0.626 nan 8.290 nan 0.000 0.532 106 V N 1.169 121.205 119.914 0.203 0.000 2.721 106 V HA 0.158 4.281 4.120 0.005 0.000 0.236 106 V C 2.101 178.262 176.094 0.111 0.000 1.116 106 V CA 1.902 64.332 62.300 0.217 0.000 1.148 106 V CB 0.078 31.966 31.823 0.107 0.000 0.886 106 V HN 0.655 nan 8.190 nan 0.000 0.490 107 N N 0.563 119.146 118.700 -0.194 0.000 2.317 107 N HA 0.218 4.961 4.740 0.005 0.000 0.199 107 N C 0.173 175.279 175.510 -0.673 0.000 1.145 107 N CA 0.695 53.602 53.050 -0.238 0.000 0.882 107 N CB 1.424 39.873 38.487 -0.064 0.000 1.113 107 N HN 0.377 nan 8.380 nan 0.000 0.486 108 A N 0.449 122.757 122.820 -0.853 0.000 2.356 108 A HA 0.664 4.987 4.320 0.005 0.000 0.310 108 A C -1.396 175.608 177.584 -0.966 0.000 1.075 108 A CA -0.638 50.958 52.037 -0.735 0.000 0.746 108 A CB 0.476 19.402 19.000 -0.123 0.000 1.221 108 A HN 0.167 nan 8.150 nan 0.000 0.443 109 F N 2.259 122.166 119.950 -0.071 0.000 2.805 109 F HA 0.208 4.738 4.527 0.005 0.000 0.317 109 F C 1.291 177.066 175.800 -0.042 0.000 1.146 109 F CA -0.265 57.731 58.000 -0.006 0.000 1.265 109 F CB 0.057 39.078 39.000 0.035 0.000 0.992 109 F HN 0.327 nan 8.300 nan 0.000 0.511 110 V N 0.078 119.878 119.914 -0.190 0.000 2.287 110 V HA -0.292 3.831 4.120 0.005 0.000 0.248 110 V C 2.596 178.723 176.094 0.054 0.000 1.053 110 V CA 2.765 64.978 62.300 -0.146 0.000 1.027 110 V CB -1.014 30.488 31.823 -0.535 0.000 0.646 110 V HN 0.626 nan 8.190 nan 0.000 0.447 111 T N -2.742 111.882 114.554 0.117 0.000 3.055 111 T HA 0.061 4.414 4.350 0.005 0.000 0.265 111 T C 0.801 175.541 174.700 0.066 0.000 1.111 111 T CA 0.319 62.496 62.100 0.128 0.000 1.118 111 T CB -0.336 68.624 68.868 0.153 0.000 0.909 111 T HN 0.287 nan 8.240 nan 0.000 0.501 112 M N 2.616 122.247 119.600 0.053 0.000 2.248 112 M HA 0.243 4.726 4.480 0.005 0.000 0.337 112 M C 0.065 176.251 176.300 -0.191 0.000 1.121 112 M CA -0.237 54.988 55.300 -0.125 0.000 1.155 112 M CB 0.192 32.651 32.600 -0.236 0.000 1.514 112 M HN 0.082 nan 8.290 nan 0.000 0.452 113 N N 2.702 121.202 118.700 -0.333 0.000 2.444 113 N HA 0.415 5.158 4.740 0.005 0.000 0.262 113 N C -2.069 173.212 175.510 -0.382 0.000 0.974 113 N CA -0.174 52.748 53.050 -0.213 0.000 0.933 113 N CB 0.393 38.806 38.487 -0.123 0.000 1.137 113 N HN 0.373 nan 8.380 nan 0.000 0.498 114 F N 1.248 121.172 119.950 -0.043 0.000 2.449 114 F HA 0.439 4.970 4.527 0.007 0.000 0.342 114 F C 0.858 176.642 175.800 -0.026 0.000 1.127 114 F CA -0.600 57.358 58.000 -0.070 0.000 0.975 114 F CB 2.216 41.126 39.000 -0.151 0.000 1.146 114 F HN 0.214 nan 8.300 nan 0.000 0.444 115 T N 0.164 114.804 114.554 0.142 0.000 2.916 115 T HA 0.292 4.645 4.350 0.005 0.000 0.305 115 T C 0.703 175.486 174.700 0.137 0.000 1.119 115 T CA -0.263 61.902 62.100 0.109 0.000 1.008 115 T CB 1.392 70.287 68.868 0.046 0.000 1.129 115 T HN 0.585 nan 8.240 nan 0.000 0.480 116 S N 2.363 118.183 115.700 0.201 0.000 2.453 116 S HA 0.055 4.528 4.470 0.005 0.000 0.231 116 S C 0.735 175.506 174.600 0.284 0.000 1.005 116 S CA 1.050 59.440 58.200 0.316 0.000 0.949 116 S CB -0.541 63.059 63.200 0.667 0.000 0.774 116 S HN 0.987 nan 8.310 nan 0.000 0.510 117 D N 0.564 121.087 120.400 0.206 0.000 2.812 117 D HA -0.168 4.475 4.640 0.005 0.000 0.237 117 D C -1.135 175.298 176.300 0.223 0.000 1.162 117 D CA 0.211 54.298 54.000 0.146 0.000 0.740 117 D CB -2.026 38.819 40.800 0.075 0.000 1.000 117 D HN 0.267 nan 8.370 nan 0.000 0.416 118 F N 0.936 120.849 119.950 -0.062 0.000 2.572 118 F HA 0.220 4.750 4.527 0.005 0.000 0.370 118 F C 1.585 177.338 175.800 -0.079 0.000 1.103 118 F CA 0.286 58.237 58.000 -0.081 0.000 1.286 118 F CB 0.534 39.465 39.000 -0.116 0.000 1.105 118 F HN 0.111 nan 8.300 nan 0.000 0.583 119 Q N 1.410 121.222 119.800 0.021 0.000 0.000 119 Q HA 0.199 4.542 4.340 0.005 0.000 0.000 119 Q C 1.043 176.987 176.000 -0.093 0.000 0.000 119 Q CA -0.667 55.112 55.803 -0.040 0.000 0.000 119 Q CB 0.878 29.571 28.738 -0.075 0.000 0.000 119 Q HN 0.695 nan 8.270 nan 0.000 0.000 120 E N 0.702 120.831 120.200 -0.118 0.000 2.204 120 E HA -0.168 4.185 4.350 0.005 0.000 0.194 120 E C 1.606 178.015 176.600 -0.318 0.000 0.989 120 E CA 1.050 57.353 56.400 -0.162 0.000 0.824 120 E CB 0.282 29.902 29.700 -0.133 0.000 0.756 120 E HN 0.446 nan 8.360 nan 0.000 0.477 121 K N 0.637 120.796 120.400 -0.403 0.000 2.057 121 K HA -0.209 4.115 4.320 0.005 0.000 0.207 121 K C 1.212 177.389 176.600 -0.704 0.000 1.049 121 K CA 1.870 57.711 56.287 -0.743 0.000 0.931 121 K CB -0.051 32.163 32.500 -0.476 0.000 0.714 121 K HN 0.078 nan 8.250 nan 0.000 0.440 122 D N 1.099 121.224 120.400 -0.459 0.000 2.117 122 D HA -0.128 4.515 4.640 0.005 0.000 0.198 122 D C 2.080 178.166 176.300 -0.357 0.000 0.982 122 D CA 0.807 54.493 54.000 -0.524 0.000 0.828 122 D CB -0.050 40.166 40.800 -0.974 0.000 0.967 122 D HN 0.219 nan 8.370 nan 0.000 0.464 123 I N 0.922 121.373 120.570 -0.200 0.000 2.252 123 I HA -0.168 4.005 4.170 0.005 0.000 0.245 123 I C 2.486 178.558 176.117 -0.076 0.000 1.102 123 I CA 0.655 61.935 61.300 -0.034 0.000 1.385 123 I CB -0.794 37.207 38.000 0.001 0.000 1.064 123 I HN -0.105 nan 8.210 nan 0.000 0.414 124 V N 0.760 120.561 119.914 -0.189 0.000 2.270 124 V HA -0.262 3.861 4.120 0.005 0.000 0.245 124 V C 2.362 178.529 176.094 0.121 0.000 1.043 124 V CA 1.815 64.057 62.300 -0.096 0.000 1.014 124 V CB -0.794 30.894 31.823 -0.224 0.000 0.645 124 V HN 0.228 nan 8.190 nan 0.000 0.447 125 F N 0.585 120.501 119.950 -0.056 0.000 2.206 125 F HA 0.366 4.896 4.527 0.006 0.000 0.298 125 F C 1.427 177.194 175.800 -0.054 0.000 1.090 125 F CA 0.540 58.506 58.000 -0.056 0.000 1.323 125 F CB -0.153 38.806 39.000 -0.070 0.000 1.028 125 F HN 0.418 nan 8.300 nan 0.000 0.492 126 G N -0.248 108.600 108.800 0.081 0.000 2.617 126 G HA2 0.038 4.001 3.960 0.005 0.000 0.686 126 G HA3 0.038 4.001 3.960 0.005 0.000 0.686 126 G C 0.208 175.072 174.900 -0.060 0.000 1.214 126 G CA -0.671 44.449 45.100 0.033 0.000 0.796 126 G HN 0.352 nan 8.290 nan 0.000 0.654 127 G N -0.779 107.998 108.800 -0.039 0.000 3.284 127 G HA2 0.348 4.311 3.960 0.005 0.000 0.236 127 G HA3 0.348 4.311 3.960 0.005 0.000 0.236 127 G C 0.885 175.890 174.900 0.174 0.000 1.158 127 G CA 1.226 46.298 45.100 -0.047 0.000 0.774 127 G HN 0.630 nan 8.290 nan 0.000 0.545 128 D N 1.699 122.179 120.400 0.133 0.000 2.117 128 D HA -0.076 4.567 4.640 0.005 0.000 0.198 128 D C 2.169 178.504 176.300 0.057 0.000 0.982 128 D CA 0.912 54.977 54.000 0.109 0.000 0.828 128 D CB 0.172 41.017 40.800 0.074 0.000 0.967 128 D HN 0.164 nan 8.370 nan 0.000 0.464 129 K N 1.260 121.681 120.400 0.036 0.000 2.057 129 K HA -0.087 4.236 4.320 0.005 0.000 0.207 129 K C 1.983 178.592 176.600 0.015 0.000 1.049 129 K CA 0.754 57.051 56.287 0.017 0.000 0.931 129 K CB -0.207 32.299 32.500 0.011 0.000 0.714 129 K HN 0.028 nan 8.250 nan 0.000 0.440 130 K N 0.406 120.817 120.400 0.018 0.000 2.057 130 K HA -0.094 4.229 4.320 0.005 0.000 0.207 130 K C 1.970 178.602 176.600 0.052 0.000 1.049 130 K CA 0.950 57.251 56.287 0.022 0.000 0.931 130 K CB -0.173 32.317 32.500 -0.016 0.000 0.714 130 K HN 0.020 nan 8.250 nan 0.000 0.440 131 L N 0.984 122.255 121.223 0.080 0.000 2.042 131 L HA -0.129 4.214 4.340 0.005 0.000 0.210 131 L C 2.130 178.965 176.870 -0.058 0.000 1.076 131 L CA 2.061 56.883 54.840 -0.029 0.000 0.749 131 L CB -0.737 41.238 42.059 -0.139 0.000 0.893 131 L HN 0.197 nan 8.230 nan 0.000 0.432 132 A N -0.786 122.016 122.820 -0.030 0.000 1.898 132 A HA -0.230 4.093 4.320 0.005 0.000 0.216 132 A C 2.348 179.916 177.584 -0.026 0.000 1.181 132 A CA 1.828 53.844 52.037 -0.035 0.000 0.620 132 A CB -0.579 18.410 19.000 -0.019 0.000 0.819 132 A HN 0.394 nan 8.150 nan 0.000 0.442 133 K N 0.069 120.463 120.400 -0.010 0.000 2.057 133 K HA -0.056 4.267 4.320 0.005 0.000 0.207 133 K C 1.827 178.426 176.600 -0.003 0.000 1.049 133 K CA 1.599 57.883 56.287 -0.004 0.000 0.931 133 K CB -0.647 31.855 32.500 0.004 0.000 0.714 133 K HN 0.445 nan 8.250 nan 0.000 0.440 134 L N 0.053 121.275 121.223 -0.001 0.000 2.046 134 L HA -0.067 4.276 4.340 0.005 0.000 0.208 134 L C 2.078 178.930 176.870 -0.030 0.000 1.077 134 L CA 1.410 56.251 54.840 0.002 0.000 0.747 134 L CB -0.212 41.853 42.059 0.009 0.000 0.896 134 L HN 0.203 nan 8.230 nan 0.000 0.432 135 I N 0.022 120.555 120.570 -0.062 0.000 2.226 135 I HA -0.298 3.875 4.170 0.005 0.000 0.245 135 I C 2.044 178.127 176.117 -0.056 0.000 1.100 135 I CA 1.390 62.638 61.300 -0.086 0.000 1.374 135 I CB -0.567 37.372 38.000 -0.101 0.000 1.057 135 I HN 0.367 nan 8.210 nan 0.000 0.413 136 D N 0.611 120.990 120.400 -0.035 0.000 2.117 136 D HA -0.177 4.466 4.640 0.005 0.000 0.198 136 D C 2.091 178.385 176.300 -0.010 0.000 0.982 136 D CA 1.225 55.211 54.000 -0.022 0.000 0.828 136 D CB -0.113 40.678 40.800 -0.015 0.000 0.967 136 D HN 0.383 nan 8.370 nan 0.000 0.464 137 E N 0.092 120.293 120.200 0.002 0.000 2.077 137 E HA -0.110 4.243 4.350 0.005 0.000 0.193 137 E C 2.260 178.893 176.600 0.056 0.000 0.989 137 E CA 0.421 56.836 56.400 0.025 0.000 0.800 137 E CB 0.205 29.929 29.700 0.040 0.000 0.746 137 E HN 0.011 nan 8.360 nan 0.000 0.452 138 V N 1.042 120.985 119.914 0.049 0.000 2.343 138 V HA -0.255 3.868 4.120 0.005 0.000 0.247 138 V C 2.249 178.389 176.094 0.077 0.000 1.051 138 V CA 1.982 64.331 62.300 0.081 0.000 1.036 138 V CB -0.360 31.398 31.823 -0.108 0.000 0.654 138 V HN 0.215 nan 8.190 nan 0.000 0.451 139 E N 0.366 120.567 120.200 0.002 0.000 2.072 139 E HA -0.189 4.164 4.350 0.005 0.000 0.191 139 E C 2.403 179.001 176.600 -0.002 0.000 0.985 139 E CA 1.856 58.251 56.400 -0.009 0.000 0.801 139 E CB -0.451 29.233 29.700 -0.025 0.000 0.750 139 E HN 0.708 nan 8.360 nan 0.000 0.452 140 T N -1.041 113.506 114.554 -0.012 0.000 2.777 140 T HA -0.102 4.251 4.350 0.005 0.000 0.266 140 T C 2.001 176.649 174.700 -0.086 0.000 1.040 140 T CA 1.342 63.420 62.100 -0.036 0.000 1.141 140 T CB -0.383 68.464 68.868 -0.034 0.000 0.868 140 T HN 0.174 nan 8.240 nan 0.000 0.444 141 L N -0.946 120.193 121.223 -0.140 0.000 2.056 141 L HA 0.198 4.542 4.340 0.005 0.000 0.207 141 L C 0.455 176.917 176.870 -0.678 0.000 1.078 141 L CA 0.925 55.506 54.840 -0.432 0.000 0.749 141 L CB -0.224 41.518 42.059 -0.527 0.000 0.901 141 L HN 0.269 nan 8.230 nan 0.000 0.433 142 F N -0.188 119.746 119.950 -0.027 0.000 2.451 142 F HA 0.301 4.830 4.527 0.004 0.000 0.367 142 F C -1.523 174.256 175.800 -0.035 0.000 1.100 142 F CA -1.925 56.061 58.000 -0.023 0.000 1.171 142 F CB 0.419 39.300 39.000 -0.199 0.000 1.405 142 F HN -0.172 nan 8.300 nan 0.000 0.482 143 P HA -0.104 nan 4.420 nan 0.000 0.223 143 P C 1.014 178.376 177.300 0.103 0.000 1.151 143 P CA 1.228 64.371 63.100 0.073 0.000 0.787 143 P CB 0.553 32.277 31.700 0.040 0.000 0.788 144 L N -0.422 120.909 121.223 0.180 0.000 2.628 144 L HA 0.110 4.453 4.340 0.005 0.000 0.229 144 L C 0.802 177.813 176.870 0.236 0.000 1.137 144 L CA -0.404 54.547 54.840 0.184 0.000 0.909 144 L CB -1.027 41.138 42.059 0.177 0.000 1.137 144 L HN 0.041 nan 8.230 nan 0.000 0.470 145 N N 0.067 118.908 118.700 0.234 0.000 2.492 145 N HA -0.038 4.706 4.740 0.005 0.000 0.260 145 N C 0.332 175.890 175.510 0.079 0.000 1.215 145 N CA 0.035 53.202 53.050 0.194 0.000 0.923 145 N CB 0.635 38.998 38.487 -0.206 0.000 1.092 145 N HN -0.024 nan 8.380 nan 0.000 0.448 146 K N 0.411 120.859 120.400 0.080 0.000 2.374 146 K HA 0.274 4.598 4.320 0.005 0.000 0.196 146 K C 0.057 176.660 176.600 0.005 0.000 1.023 146 K CA -0.177 56.133 56.287 0.039 0.000 1.103 146 K CB 0.461 32.989 32.500 0.047 0.000 0.848 146 K HN 0.765 nan 8.250 nan 0.000 0.528 147 G N 0.450 109.225 108.800 -0.041 0.000 2.451 147 G HA2 0.498 4.461 3.960 0.005 0.000 0.292 147 G HA3 0.498 4.461 3.960 0.005 0.000 0.292 147 G C -1.814 172.989 174.900 -0.161 0.000 1.427 147 G CA -0.759 44.306 45.100 -0.059 0.000 0.792 147 G HN -0.011 nan 8.290 nan 0.000 0.498 148 I N 0.542 121.010 120.570 -0.170 0.000 2.802 148 I HA 0.620 4.793 4.170 0.005 0.000 0.298 148 I C -0.310 175.651 176.117 -0.260 0.000 1.176 148 I CA -0.937 60.204 61.300 -0.264 0.000 1.025 148 I CB 2.606 40.448 38.000 -0.263 0.000 1.243 148 I HN 0.762 nan 8.210 nan 0.000 0.424 149 S N 4.312 119.842 115.700 -0.282 0.000 2.549 149 S HA 0.779 5.252 4.470 0.005 0.000 0.280 149 S C -1.325 173.072 174.600 -0.339 0.000 1.109 149 S CA -0.626 57.344 58.200 -0.383 0.000 0.905 149 S CB 2.208 65.158 63.200 -0.416 0.000 1.081 149 S HN 0.273 nan 8.310 nan 0.000 0.477 150 V N 3.544 123.214 119.914 -0.408 0.000 2.409 150 V HA 0.488 4.611 4.120 0.005 0.000 0.291 150 V C -0.780 175.147 176.094 -0.278 0.000 1.020 150 V CA -0.558 61.557 62.300 -0.309 0.000 0.848 150 V CB 1.554 33.168 31.823 -0.348 0.000 0.990 150 V HN 0.898 nan 8.190 nan 0.000 0.430 151 Q N 2.832 122.542 119.800 -0.150 0.000 2.340 151 Q HA 0.433 4.776 4.340 0.005 0.000 0.259 151 Q C -0.281 175.741 176.000 0.037 0.000 0.964 151 Q CA -0.253 55.495 55.803 -0.092 0.000 0.900 151 Q CB 1.809 30.524 28.738 -0.037 0.000 1.228 151 Q HN 0.694 nan 8.270 nan 0.000 0.449 152 S N 2.554 118.246 115.700 -0.012 0.000 2.505 152 S HA 0.174 4.647 4.470 0.005 0.000 0.276 152 S C 0.303 174.875 174.600 -0.048 0.000 1.274 152 S CA -0.431 57.755 58.200 -0.023 0.000 1.053 152 S CB 1.080 64.243 63.200 -0.060 0.000 0.919 152 S HN 0.409 nan 8.310 nan 0.000 0.490 153 E N 0.908 121.015 120.200 -0.155 0.000 2.622 153 E HA 0.171 4.524 4.350 0.005 0.000 0.255 153 E C 0.784 177.271 176.600 -0.188 0.000 1.313 153 E CA -0.678 55.572 56.400 -0.250 0.000 1.011 153 E CB 0.330 29.803 29.700 -0.379 0.000 1.173 153 E HN 0.665 nan 8.360 nan 0.000 0.601 154 C N 0.702 119.918 119.300 -0.141 0.000 2.429 154 C HA -0.080 4.383 4.460 0.005 0.000 0.277 154 C C -0.614 174.448 174.990 0.121 0.000 1.262 154 C CA 0.460 59.500 59.018 0.036 0.000 1.733 154 C CB -1.627 26.181 27.740 0.113 0.000 2.010 154 C HN 0.653 nan 8.230 nan 0.000 0.483 155 P HA -0.071 nan 4.420 nan 0.000 0.222 155 P C 1.456 178.744 177.300 -0.021 0.000 1.147 155 P CA 1.139 64.219 63.100 -0.032 0.000 0.790 155 P CB -0.246 31.389 31.700 -0.108 0.000 0.780 156 I N -0.791 119.725 120.570 -0.090 0.000 2.252 156 I HA -0.115 4.058 4.170 0.005 0.000 0.245 156 I C 2.384 178.544 176.117 0.073 0.000 1.102 156 I CA 1.990 63.262 61.300 -0.047 0.000 1.385 156 I CB -2.088 35.853 38.000 -0.098 0.000 1.064 156 I HN 0.028 nan 8.210 nan 0.000 0.414 157 G N 1.191 110.090 108.800 0.165 0.000 2.402 157 G HA2 -0.131 3.833 3.960 0.005 0.000 0.216 157 G HA3 -0.131 3.833 3.960 0.005 0.000 0.216 157 G C 1.828 176.857 174.900 0.216 0.000 1.162 157 G CA 0.307 45.581 45.100 0.289 0.000 0.777 157 G HN 0.303 nan 8.290 nan 0.000 0.539 158 L N 0.865 122.184 121.223 0.161 0.000 2.056 158 L HA 0.035 4.379 4.340 0.005 0.000 0.207 158 L C 2.752 179.628 176.870 0.010 0.000 1.078 158 L CA 1.092 55.923 54.840 -0.016 0.000 0.749 158 L CB -0.525 41.483 42.059 -0.086 0.000 0.901 158 L HN 0.402 nan 8.230 nan 0.000 0.433 159 I N -2.146 118.450 120.570 0.043 0.000 3.444 159 I HA 0.213 4.386 4.170 0.005 0.000 0.287 159 I C 1.213 177.363 176.117 0.056 0.000 1.302 159 I CA 0.658 61.987 61.300 0.050 0.000 1.368 159 I CB -0.532 37.514 38.000 0.078 0.000 1.048 159 I HN 0.302 nan 8.210 nan 0.000 0.487 160 G N 1.497 110.333 108.800 0.059 0.000 2.160 160 G HA2 -0.275 3.688 3.960 0.005 0.000 0.244 160 G HA3 -0.275 3.688 3.960 0.005 0.000 0.244 160 G C -0.376 174.565 174.900 0.068 0.000 1.022 160 G CA 0.319 45.453 45.100 0.057 0.000 0.741 160 G HN 0.550 nan 8.290 nan 0.000 0.508 161 D N 0.457 120.908 120.400 0.086 0.000 2.350 161 D HA 0.430 5.073 4.640 0.005 0.000 0.249 161 D C -0.084 176.269 176.300 0.088 0.000 1.119 161 D CA 0.033 54.096 54.000 0.104 0.000 0.886 161 D CB 0.899 41.789 40.800 0.150 0.000 1.195 161 D HN 0.137 nan 8.370 nan 0.000 0.437 162 D N 2.588 123.034 120.400 0.077 0.000 2.427 162 D HA 0.109 4.753 4.640 0.005 0.000 0.226 162 D C 0.880 177.208 176.300 0.047 0.000 1.076 162 D CA -0.462 53.572 54.000 0.057 0.000 0.849 162 D CB 0.580 41.409 40.800 0.048 0.000 1.052 162 D HN 0.463 nan 8.370 nan 0.000 0.515 163 I N 0.429 121.016 120.570 0.028 0.000 3.603 163 I HA 0.166 4.339 4.170 0.005 0.000 0.297 163 I C 1.189 177.255 176.117 -0.086 0.000 1.269 163 I CA -0.032 61.252 61.300 -0.027 0.000 1.361 163 I CB 0.264 38.235 38.000 -0.049 0.000 1.063 163 I HN 0.039 nan 8.210 nan 0.000 0.448 164 E N 1.897 122.077 120.200 -0.034 0.000 2.072 164 E HA -0.107 4.246 4.350 0.005 0.000 0.191 164 E C 2.311 178.940 176.600 0.048 0.000 0.985 164 E CA 1.725 58.127 56.400 0.004 0.000 0.801 164 E CB -0.123 29.659 29.700 0.136 0.000 0.750 164 E HN 0.489 nan 8.360 nan 0.000 0.452 165 S N -0.010 115.718 115.700 0.046 0.000 2.368 165 S HA -0.121 4.352 4.470 0.005 0.000 0.224 165 S C 2.159 176.769 174.600 0.018 0.000 1.029 165 S CA 1.073 59.302 58.200 0.048 0.000 0.988 165 S CB -0.263 62.961 63.200 0.039 0.000 0.838 165 S HN 0.048 nan 8.310 nan 0.000 0.462 166 V N 1.766 121.672 119.914 -0.013 0.000 2.358 166 V HA -0.132 3.991 4.120 0.005 0.000 0.246 166 V C 2.440 178.493 176.094 -0.069 0.000 1.047 166 V CA 1.811 64.089 62.300 -0.037 0.000 1.035 166 V CB -0.909 30.884 31.823 -0.050 0.000 0.658 166 V HN 0.417 nan 8.190 nan 0.000 0.452 167 S N -0.850 114.780 115.700 -0.118 0.000 2.368 167 S HA -0.170 4.303 4.470 0.005 0.000 0.224 167 S C 2.052 176.612 174.600 -0.068 0.000 1.029 167 S CA 1.285 59.374 58.200 -0.184 0.000 0.988 167 S CB -0.217 62.744 63.200 -0.399 0.000 0.838 167 S HN 0.501 nan 8.310 nan 0.000 0.462 168 K N 0.720 121.140 120.400 0.035 0.000 2.057 168 K HA -0.010 4.313 4.320 0.005 0.000 0.206 168 K C 2.040 178.685 176.600 0.076 0.000 1.050 168 K CA 0.996 57.371 56.287 0.147 0.000 0.935 168 K CB -0.273 32.346 32.500 0.198 0.000 0.715 168 K HN 0.159 nan 8.250 nan 0.000 0.439 169 V N 1.795 121.732 119.914 0.040 0.000 2.358 169 V HA -0.222 3.901 4.120 0.005 0.000 0.246 169 V C 2.196 178.295 176.094 0.009 0.000 1.047 169 V CA 1.567 63.881 62.300 0.023 0.000 1.035 169 V CB -0.241 31.590 31.823 0.013 0.000 0.658 169 V HN 0.234 nan 8.190 nan 0.000 0.452 170 K N 0.539 120.933 120.400 -0.011 0.000 2.057 170 K HA -0.043 4.280 4.320 0.005 0.000 0.206 170 K C 2.255 178.845 176.600 -0.017 0.000 1.050 170 K CA 1.451 57.724 56.287 -0.024 0.000 0.935 170 K CB -1.211 31.258 32.500 -0.051 0.000 0.715 170 K HN 0.503 nan 8.250 nan 0.000 0.439 171 G N 1.374 110.168 108.800 -0.010 0.000 2.440 171 G HA2 -0.272 3.691 3.960 0.005 0.000 0.218 171 G HA3 -0.272 3.691 3.960 0.005 0.000 0.218 171 G C 1.720 176.634 174.900 0.024 0.000 1.154 171 G CA 1.415 46.520 45.100 0.008 0.000 0.767 171 G HN 0.392 nan 8.290 nan 0.000 0.552 172 A N 0.641 123.480 122.820 0.032 0.000 1.898 172 A HA 0.013 4.336 4.320 0.005 0.000 0.216 172 A C 2.167 179.762 177.584 0.018 0.000 1.181 172 A CA 1.997 54.052 52.037 0.031 0.000 0.620 172 A CB -0.454 18.567 19.000 0.034 0.000 0.819 172 A HN 0.496 nan 8.150 nan 0.000 0.442 173 E N -0.049 120.157 120.200 0.010 0.000 2.072 173 E HA -0.114 4.240 4.350 0.005 0.000 0.191 173 E C 1.588 178.188 176.600 0.001 0.000 0.985 173 E CA 1.140 57.543 56.400 0.004 0.000 0.801 173 E CB -0.182 29.517 29.700 -0.002 0.000 0.750 173 E HN 0.594 nan 8.360 nan 0.000 0.452 174 L N 0.319 121.540 121.223 -0.003 0.000 2.591 174 L HA 0.143 4.486 4.340 0.005 0.000 0.228 174 L C 0.513 177.384 176.870 0.002 0.000 1.133 174 L CA 0.154 54.991 54.840 -0.006 0.000 0.880 174 L CB 0.070 42.117 42.059 -0.019 0.000 1.033 174 L HN 0.014 nan 8.230 nan 0.000 0.450 175 S N 0.368 116.074 115.700 0.010 0.000 3.581 175 S HA -0.228 4.245 4.470 0.005 0.000 0.354 175 S C 0.221 174.831 174.600 0.017 0.000 1.059 175 S CA 0.988 59.199 58.200 0.018 0.000 1.060 175 S CB -1.272 61.938 63.200 0.017 0.000 0.908 175 S HN 0.572 nan 8.310 nan 0.000 0.475 176 K N 0.764 121.170 120.400 0.011 0.000 2.318 176 K HA 0.472 4.795 4.320 0.005 0.000 0.249 176 K C -0.482 176.125 176.600 0.012 0.000 0.942 176 K CA -0.588 55.701 56.287 0.003 0.000 0.808 176 K CB 1.216 33.703 32.500 -0.022 0.000 1.189 176 K HN 0.098 nan 8.250 nan 0.000 0.428 177 T N 3.908 118.475 114.554 0.021 0.000 2.761 177 T HA 0.355 4.708 4.350 0.005 0.000 0.296 177 T C 0.053 174.743 174.700 -0.018 0.000 0.934 177 T CA -0.209 61.919 62.100 0.047 0.000 1.091 177 T CB 0.000 68.918 68.868 0.083 0.000 0.896 177 T HN 0.360 nan 8.240 nan 0.000 0.515 178 I N 3.261 123.797 120.570 -0.056 0.000 2.418 178 I HA 0.347 4.520 4.170 0.005 0.000 0.287 178 I C -0.569 175.329 176.117 -0.366 0.000 1.008 178 I CA -1.103 60.079 61.300 -0.196 0.000 1.104 178 I CB 1.955 39.837 38.000 -0.197 0.000 1.264 178 I HN 0.308 nan 8.210 nan 0.000 0.438 179 V N 8.281 127.913 119.914 -0.470 0.000 2.328 179 V HA 0.330 4.453 4.120 0.005 0.000 0.278 179 V C -2.124 173.447 176.094 -0.871 0.000 1.021 179 V CA -1.740 60.094 62.300 -0.776 0.000 0.838 179 V CB 1.141 32.587 31.823 -0.628 0.000 0.999 179 V HN 0.543 nan 8.190 nan 0.000 0.447 180 P HA 0.323 nan 4.420 nan 0.000 0.280 180 P C -0.951 176.013 177.300 -0.561 0.000 1.244 180 P CA -0.144 62.554 63.100 -0.669 0.000 0.784 180 P CB 1.809 33.157 31.700 -0.586 0.000 0.913 181 V N 4.826 124.490 119.914 -0.417 0.000 2.525 181 V HA 0.335 4.458 4.120 0.005 0.000 0.299 181 V C 0.756 176.731 176.094 -0.199 0.000 1.034 181 V CA -0.632 61.472 62.300 -0.327 0.000 0.863 181 V CB 1.996 33.537 31.823 -0.469 0.000 0.999 181 V HN 0.416 nan 8.190 nan 0.000 0.423 182 R N 2.668 123.089 120.500 -0.132 0.000 4.071 182 R HA 0.203 4.546 4.340 0.005 0.000 0.220 182 R C 0.102 176.319 176.300 -0.138 0.000 1.614 182 R CA -0.190 55.841 56.100 -0.114 0.000 1.505 182 R CB 0.104 30.357 30.300 -0.079 0.000 1.384 182 R HN 0.897 nan 8.270 nan 0.000 0.758 183 C N -0.447 118.773 119.300 -0.134 0.000 2.565 183 C HA 0.350 4.813 4.460 0.005 0.000 0.451 183 C C 0.187 175.081 174.990 -0.159 0.000 1.301 183 C CA -1.344 57.594 59.018 -0.134 0.000 1.638 183 C CB -1.493 26.187 27.740 -0.099 0.000 2.236 183 C HN 0.397 nan 8.230 nan 0.000 0.603 184 E N 0.912 120.925 120.200 -0.313 0.000 2.392 184 E HA 0.404 4.757 4.350 0.005 0.000 0.264 184 E C 1.544 177.852 176.600 -0.486 0.000 1.024 184 E CA 0.790 56.900 56.400 -0.485 0.000 0.903 184 E CB 0.766 29.873 29.700 -0.988 0.000 0.963 184 E HN 0.593 nan 8.360 nan 0.000 0.432 185 G N 2.552 111.176 108.800 -0.293 0.000 2.469 185 G HA2 -0.315 3.648 3.960 0.005 0.000 0.219 185 G HA3 -0.315 3.648 3.960 0.005 0.000 0.219 185 G C 1.222 176.039 174.900 -0.137 0.000 1.150 185 G CA 1.204 46.215 45.100 -0.149 0.000 0.763 185 G HN 0.664 nan 8.290 nan 0.000 0.561 186 F N 1.219 121.152 119.950 -0.029 0.000 2.293 186 F HA 0.259 4.789 4.527 0.005 0.000 0.300 186 F C 1.356 177.139 175.800 -0.027 0.000 1.086 186 F CA -0.478 57.506 58.000 -0.027 0.000 1.375 186 F CB -0.509 38.473 39.000 -0.029 0.000 1.045 186 F HN -0.101 nan 8.300 nan 0.000 0.516 187 R N 1.723 121.993 120.500 -0.383 0.000 2.537 187 R HA 0.420 4.763 4.340 0.005 0.000 0.280 187 R C 0.857 177.097 176.300 -0.101 0.000 1.058 187 R CA 0.418 56.413 56.100 -0.175 0.000 1.057 187 R CB -0.174 29.951 30.300 -0.292 0.000 0.973 187 R HN 0.563 nan 8.270 nan 0.000 0.438 188 G N 0.341 109.115 108.800 -0.044 0.000 2.741 188 G HA2 -0.255 3.708 3.960 0.005 0.000 0.222 188 G HA3 -0.255 3.708 3.960 0.005 0.000 0.222 188 G C 0.243 175.137 174.900 -0.010 0.000 1.364 188 G CA -0.270 44.806 45.100 -0.039 0.000 0.866 188 G HN 0.862 nan 8.290 nan 0.000 0.555 189 V N -3.562 116.350 119.914 -0.002 0.000 3.398 189 V HA 0.736 4.859 4.120 0.005 0.000 0.298 189 V C 0.637 176.749 176.094 0.029 0.000 1.496 189 V CA 1.582 63.895 62.300 0.022 0.000 1.044 189 V CB -0.206 31.640 31.823 0.039 0.000 0.880 189 V HN 2.507 nan 8.190 nan 0.000 0.443 190 S N -1.062 114.631 115.700 -0.013 0.000 2.703 190 S HA 0.411 4.884 4.470 0.005 0.000 0.273 190 S C 0.034 174.494 174.600 -0.234 0.000 1.178 190 S CA -0.228 57.950 58.200 -0.038 0.000 0.838 190 S CB 1.524 64.783 63.200 0.098 0.000 1.178 190 S HN 0.027 nan 8.310 nan 0.000 0.494 191 Q N 0.948 120.480 119.800 -0.447 0.000 2.443 191 Q HA 0.018 4.361 4.340 0.005 0.000 0.213 191 Q C 2.005 177.407 176.000 -0.996 0.000 0.982 191 Q CA 1.342 56.740 55.803 -0.674 0.000 0.894 191 Q CB -0.346 27.873 28.738 -0.865 0.000 0.947 191 Q HN 0.675 nan 8.270 nan 0.000 0.480 192 S N -0.094 115.082 115.700 -0.874 0.000 2.368 192 S HA -0.127 4.346 4.470 0.005 0.000 0.224 192 S C 1.661 176.074 174.600 -0.311 0.000 1.029 192 S CA 0.815 58.635 58.200 -0.634 0.000 0.988 192 S CB -0.121 63.062 63.200 -0.027 0.000 0.838 192 S HN 0.450 nan 8.310 nan 0.000 0.462 193 L N 1.722 122.836 121.223 -0.180 0.000 2.201 193 L HA 0.185 4.528 4.340 0.005 0.000 0.212 193 L C 2.260 179.043 176.870 -0.145 0.000 1.105 193 L CA 1.777 56.551 54.840 -0.110 0.000 0.775 193 L CB -1.138 40.857 42.059 -0.107 0.000 0.913 193 L HN 0.399 nan 8.230 nan 0.000 0.440 194 G N -1.472 107.195 108.800 -0.221 0.000 2.440 194 G HA2 -0.301 3.662 3.960 0.005 0.000 0.218 194 G HA3 -0.301 3.662 3.960 0.005 0.000 0.218 194 G C 1.343 176.219 174.900 -0.040 0.000 1.154 194 G CA 1.178 46.181 45.100 -0.162 0.000 0.767 194 G HN 0.624 nan 8.290 nan 0.000 0.552 195 H N -1.437 117.591 119.070 -0.069 0.000 2.353 195 H HA -0.083 4.476 4.556 0.005 0.000 0.300 195 H C 2.322 177.633 175.328 -0.027 0.000 1.090 195 H CA 1.277 57.320 56.048 -0.009 0.000 1.327 195 H CB -0.132 29.674 29.762 0.072 0.000 1.383 195 H HN 0.548 nan 8.280 nan 0.000 0.508 196 H N 0.250 119.189 119.070 -0.219 0.000 2.357 196 H HA -0.084 4.475 4.556 0.005 0.000 0.301 196 H C 2.207 177.394 175.328 -0.236 0.000 1.082 196 H CA 1.113 56.798 56.048 -0.606 0.000 1.342 196 H CB 0.160 29.429 29.762 -0.822 0.000 1.389 196 H HN 0.203 nan 8.280 nan 0.000 0.511 197 I N 0.399 120.975 120.570 0.010 0.000 2.226 197 I HA -0.262 3.911 4.170 0.005 0.000 0.245 197 I C 2.752 178.936 176.117 0.113 0.000 1.100 197 I CA 0.991 62.296 61.300 0.008 0.000 1.374 197 I CB -0.266 37.705 38.000 -0.049 0.000 1.057 197 I HN 0.376 nan 8.210 nan 0.000 0.413 198 A N 0.419 123.342 122.820 0.171 0.000 1.898 198 A HA -0.226 4.097 4.320 0.005 0.000 0.216 198 A C 2.110 179.909 177.584 0.360 0.000 1.181 198 A CA 1.920 54.196 52.037 0.398 0.000 0.620 198 A CB -0.930 18.295 19.000 0.375 0.000 0.819 198 A HN 0.474 nan 8.150 nan 0.000 0.442 199 N N -0.457 118.363 118.700 0.201 0.000 2.120 199 N HA -0.164 4.579 4.740 0.005 0.000 0.188 199 N C 1.050 176.664 175.510 0.174 0.000 1.024 199 N CA 1.447 54.600 53.050 0.171 0.000 0.852 199 N CB -0.178 38.405 38.487 0.160 0.000 1.003 199 N HN 0.392 nan 8.380 nan 0.000 0.424 200 D N 0.625 121.125 120.400 0.167 0.000 2.144 200 D HA -0.039 4.604 4.640 0.005 0.000 0.200 200 D C 1.843 178.263 176.300 0.199 0.000 0.978 200 D CA 0.663 54.746 54.000 0.139 0.000 0.833 200 D CB -0.231 40.645 40.800 0.127 0.000 0.961 200 D HN 0.238 nan 8.370 nan 0.000 0.470 201 A N 0.256 123.249 122.820 0.289 0.000 1.902 201 A HA -0.128 4.195 4.320 0.005 0.000 0.217 201 A C 2.444 180.356 177.584 0.546 0.000 1.181 201 A CA 1.142 53.427 52.037 0.412 0.000 0.623 201 A CB -0.755 18.423 19.000 0.296 0.000 0.818 201 A HN 0.141 nan 8.150 nan 0.000 0.443 202 V N 0.535 120.759 119.914 0.518 0.000 2.343 202 V HA -0.237 3.886 4.120 0.005 0.000 0.247 202 V C 2.765 179.003 176.094 0.240 0.000 1.051 202 V CA 2.211 64.724 62.300 0.356 0.000 1.036 202 V CB -0.805 31.022 31.823 0.006 0.000 0.654 202 V HN 0.661 nan 8.190 nan 0.000 0.451 203 R N 0.320 120.918 120.500 0.163 0.000 2.066 203 R HA -0.160 4.183 4.340 0.005 0.000 0.232 203 R C 1.913 178.231 176.300 0.030 0.000 1.131 203 R CA 2.148 58.269 56.100 0.036 0.000 0.955 203 R CB -0.640 29.536 30.300 -0.207 0.000 0.851 203 R HN 0.526 nan 8.270 nan 0.000 0.432 204 D N -0.550 119.871 120.400 0.035 0.000 2.117 204 D HA -0.165 4.479 4.640 0.005 0.000 0.198 204 D C 1.768 177.920 176.300 -0.247 0.000 0.982 204 D CA 1.262 55.169 54.000 -0.155 0.000 0.828 204 D CB -0.396 40.238 40.800 -0.276 0.000 0.967 204 D HN 0.386 nan 8.370 nan 0.000 0.464 205 W N 0.246 121.590 121.300 0.073 0.000 2.812 205 W HA 0.124 4.787 4.660 0.006 0.000 0.263 205 W C 1.876 178.450 176.519 0.091 0.000 1.284 205 W CA 0.003 57.390 57.345 0.071 0.000 1.430 205 W CB 0.092 29.581 29.460 0.047 0.000 1.088 205 W HN -0.198 nan 8.180 nan 0.000 0.623 206 V N -0.909 119.187 119.914 0.302 0.000 3.539 206 V HA 0.051 4.174 4.120 0.005 0.000 0.262 206 V C 1.599 177.770 176.094 0.128 0.000 1.381 206 V CA 0.093 62.511 62.300 0.198 0.000 1.060 206 V CB -0.202 31.730 31.823 0.181 0.000 0.842 206 V HN -0.052 nan 8.190 nan 0.000 0.445 207 L N 2.220 123.533 121.223 0.151 0.000 2.056 207 L HA 0.152 4.495 4.340 0.005 0.000 0.207 207 L C 2.131 179.112 176.870 0.185 0.000 1.078 207 L CA 2.467 57.417 54.840 0.184 0.000 0.749 207 L CB -0.857 41.369 42.059 0.279 0.000 0.901 207 L HN 0.344 nan 8.230 nan 0.000 0.433 208 G N -1.569 107.344 108.800 0.188 0.000 3.124 208 G HA2 -0.112 3.851 3.960 0.005 0.000 0.212 208 G HA3 -0.112 3.851 3.960 0.005 0.000 0.212 208 G C 1.501 176.473 174.900 0.120 0.000 1.181 208 G CA 0.127 45.339 45.100 0.187 0.000 0.803 208 G HN 0.322 nan 8.290 nan 0.000 0.529 209 K N 0.792 121.249 120.400 0.095 0.000 2.057 209 K HA -0.011 4.312 4.320 0.005 0.000 0.206 209 K C 1.384 178.022 176.600 0.063 0.000 1.050 209 K CA 0.520 56.850 56.287 0.073 0.000 0.935 209 K CB -0.047 32.492 32.500 0.066 0.000 0.715 209 K HN 0.178 nan 8.250 nan 0.000 0.439 210 R N 1.307 121.840 120.500 0.054 0.000 3.782 210 R HA 0.045 4.388 4.340 0.005 0.000 0.291 210 R C 0.168 176.504 176.300 0.059 0.000 1.539 210 R CA -0.346 55.782 56.100 0.046 0.000 1.345 210 R CB 0.363 30.675 30.300 0.021 0.000 1.408 210 R HN 0.185 nan 8.270 nan 0.000 0.654 211 D N 1.882 122.335 120.400 0.089 0.000 2.117 211 D HA -0.127 4.516 4.640 0.005 0.000 0.198 211 D C 1.086 177.450 176.300 0.106 0.000 0.982 211 D CA 1.381 55.459 54.000 0.130 0.000 0.828 211 D CB 0.429 41.317 40.800 0.148 0.000 0.967 211 D HN 0.391 nan 8.370 nan 0.000 0.464 212 E N -0.013 120.235 120.200 0.081 0.000 2.474 212 E HA 0.004 4.357 4.350 0.005 0.000 0.195 212 E C 0.023 176.661 176.600 0.063 0.000 1.039 212 E CA -0.189 56.253 56.400 0.069 0.000 0.881 212 E CB 0.642 30.376 29.700 0.056 0.000 0.970 212 E HN 0.107 nan 8.360 nan 0.000 0.486 213 D N 1.619 122.058 120.400 0.065 0.000 2.317 213 D HA 0.014 4.657 4.640 0.005 0.000 0.252 213 D C 0.579 176.930 176.300 0.084 0.000 1.174 213 D CA 0.241 54.282 54.000 0.068 0.000 0.866 213 D CB 1.261 42.100 40.800 0.066 0.000 1.127 213 D HN -0.008 nan 8.370 nan 0.000 0.467 214 T N -0.818 113.783 114.554 0.078 0.000 3.129 214 T HA 0.010 4.363 4.350 0.005 0.000 0.267 214 T C 1.604 176.350 174.700 0.077 0.000 1.018 214 T CA 0.259 62.407 62.100 0.080 0.000 0.903 214 T CB -0.010 68.890 68.868 0.054 0.000 1.067 214 T HN 0.380 nan 8.240 nan 0.000 0.549 215 T N 0.244 114.854 114.554 0.093 0.000 2.777 215 T HA 0.046 4.399 4.350 0.005 0.000 0.266 215 T C 0.622 175.386 174.700 0.107 0.000 1.040 215 T CA -0.061 62.089 62.100 0.084 0.000 1.141 215 T CB -0.933 67.987 68.868 0.086 0.000 0.868 215 T HN 0.427 nan 8.240 nan 0.000 0.444 216 F N 3.624 123.585 119.950 0.019 0.000 2.578 216 F HA 0.476 5.006 4.527 0.005 0.000 0.376 216 F C 0.353 176.164 175.800 0.018 0.000 1.085 216 F CA -1.563 56.449 58.000 0.020 0.000 1.260 216 F CB -0.088 38.925 39.000 0.021 0.000 1.095 216 F HN 0.351 nan 8.300 nan 0.000 0.573 217 A N 5.298 127.723 122.820 -0.659 0.000 2.354 217 A HA 0.479 4.803 4.320 0.005 0.000 0.281 217 A C -0.156 176.808 177.584 -1.034 0.000 1.174 217 A CA 0.054 51.723 52.037 -0.614 0.000 0.828 217 A CB -0.192 18.622 19.000 -0.311 0.000 1.099 217 A HN 1.003 nan 8.150 nan 0.000 0.516 218 S N 2.504 117.811 115.700 -0.655 0.000 2.498 218 S HA 0.603 5.076 4.470 0.005 0.000 0.317 218 S C 0.090 174.590 174.600 -0.167 0.000 1.090 218 S CA 0.105 58.047 58.200 -0.430 0.000 1.089 218 S CB 1.010 64.106 63.200 -0.174 0.000 0.997 218 S HN 1.372 nan 8.310 nan 0.000 0.470 219 T N 1.501 116.003 114.554 -0.087 0.000 2.882 219 T HA 0.488 4.841 4.350 0.005 0.000 0.287 219 T C -1.439 173.228 174.700 -0.055 0.000 1.014 219 T CA -1.744 60.324 62.100 -0.053 0.000 1.049 219 T CB 0.984 69.875 68.868 0.038 0.000 1.001 219 T HN 0.485 nan 8.240 nan 0.000 0.525 220 P HA -0.050 nan 4.420 nan 0.000 0.226 220 P C 0.544 177.837 177.300 -0.012 0.000 1.153 220 P CA 0.880 63.871 63.100 -0.181 0.000 0.777 220 P CB -0.139 31.351 31.700 -0.350 0.000 0.794 221 Y N 0.124 120.512 120.300 0.146 0.000 2.546 221 Y HA 0.090 4.643 4.550 0.005 0.000 0.287 221 Y C 0.756 176.662 175.900 0.010 0.000 1.158 221 Y CA -0.746 57.372 58.100 0.029 0.000 1.307 221 Y CB -1.220 37.175 38.460 -0.108 0.000 1.036 221 Y HN -0.073 nan 8.280 nan 0.000 0.532 222 D N 1.119 121.650 120.400 0.217 0.000 2.458 222 D HA 0.248 4.891 4.640 0.005 0.000 0.243 222 D C 0.168 176.577 176.300 0.183 0.000 1.146 222 D CA 0.459 54.569 54.000 0.183 0.000 0.877 222 D CB 1.203 42.128 40.800 0.208 0.000 1.176 222 D HN 0.063 nan 8.370 nan 0.000 0.461 223 V N -1.595 118.390 119.914 0.119 0.000 3.114 223 V HA 0.914 5.037 4.120 0.005 0.000 0.308 223 V C -0.933 175.183 176.094 0.037 0.000 1.168 223 V CA -1.245 61.109 62.300 0.090 0.000 1.015 223 V CB 1.931 33.796 31.823 0.070 0.000 1.050 223 V HN 0.570 nan 8.190 nan 0.000 0.433 224 A N 3.325 126.140 122.820 -0.007 0.000 2.343 224 A HA 0.883 5.206 4.320 0.005 0.000 0.316 224 A C -0.645 176.882 177.584 -0.094 0.000 1.104 224 A CA -0.721 51.289 52.037 -0.044 0.000 0.768 224 A CB 1.046 19.987 19.000 -0.098 0.000 1.213 224 A HN 0.941 nan 8.150 nan 0.000 0.456 225 I N 3.562 124.099 120.570 -0.056 0.000 2.352 225 I HA 0.218 4.391 4.170 0.005 0.000 0.290 225 I C -0.531 175.527 176.117 -0.098 0.000 1.036 225 I CA -0.143 61.128 61.300 -0.047 0.000 1.336 225 I CB 0.674 38.673 38.000 -0.002 0.000 1.407 225 I HN 0.383 nan 8.210 nan 0.000 0.497 226 I N 5.277 125.771 120.570 -0.125 0.000 2.433 226 I HA 0.332 4.505 4.170 0.005 0.000 0.292 226 I C 0.976 177.001 176.117 -0.153 0.000 1.001 226 I CA -0.438 60.712 61.300 -0.249 0.000 1.119 226 I CB 0.950 38.713 38.000 -0.395 0.000 1.289 226 I HN 0.876 nan 8.210 nan 0.000 0.438 227 G N 4.246 112.908 108.800 -0.230 0.000 2.160 227 G HA2 -0.196 3.767 3.960 0.005 0.000 0.244 227 G HA3 -0.196 3.767 3.960 0.005 0.000 0.244 227 G C -0.143 174.512 174.900 -0.409 0.000 1.022 227 G CA -0.027 44.876 45.100 -0.328 0.000 0.741 227 G HN 0.664 nan 8.290 nan 0.000 0.508 228 D N -0.817 119.279 120.400 -0.507 0.000 2.408 228 D HA 0.518 5.161 4.640 0.005 0.000 0.243 228 D C 0.372 176.350 176.300 -0.538 0.000 1.075 228 D CA -0.750 53.049 54.000 -0.335 0.000 0.832 228 D CB 0.830 41.526 40.800 -0.174 0.000 1.162 228 D HN 0.114 nan 8.370 nan 0.000 0.515 229 Y N 2.284 122.542 120.300 -0.071 0.000 2.524 229 Y HA 0.129 4.682 4.550 0.005 0.000 0.266 229 Y C 1.084 176.891 175.900 -0.156 0.000 1.180 229 Y CA -0.500 57.542 58.100 -0.096 0.000 1.244 229 Y CB -0.213 38.194 38.460 -0.087 0.000 1.125 229 Y HN 0.405 nan 8.280 nan 0.000 0.524 230 N N 0.827 119.435 118.700 -0.154 0.000 2.727 230 N HA -0.179 4.564 4.740 0.005 0.000 0.249 230 N C -1.067 174.271 175.510 -0.287 0.000 1.048 230 N CA 0.207 53.077 53.050 -0.299 0.000 0.714 230 N CB -0.985 37.221 38.487 -0.467 0.000 0.959 230 N HN 0.081 nan 8.380 nan 0.000 0.544 231 I N 0.415 120.853 120.570 -0.221 0.000 2.517 231 I HA 0.225 4.398 4.170 0.005 0.000 0.285 231 I C 1.937 177.846 176.117 -0.346 0.000 1.106 231 I CA 1.111 62.248 61.300 -0.273 0.000 1.402 231 I CB -0.243 37.575 38.000 -0.303 0.000 1.399 231 I HN 0.481 nan 8.210 nan 0.000 0.535 232 G N 5.071 113.418 108.800 -0.756 0.000 2.168 232 G HA2 -0.137 3.826 3.960 0.005 0.000 0.257 232 G HA3 -0.137 3.826 3.960 0.005 0.000 0.257 232 G C 0.980 175.567 174.900 -0.522 0.000 0.997 232 G CA 0.574 45.179 45.100 -0.825 0.000 0.708 232 G HN 1.701 nan 8.290 nan 0.000 0.520 233 G N -1.136 107.363 108.800 -0.502 0.000 2.160 233 G HA2 -0.229 3.734 3.960 0.005 0.000 0.244 233 G HA3 -0.229 3.734 3.960 0.005 0.000 0.244 233 G C 0.709 175.536 174.900 -0.123 0.000 1.022 233 G CA 0.981 45.942 45.100 -0.232 0.000 0.741 233 G HN 0.567 nan 8.290 nan 0.000 0.508 234 D N 0.228 120.488 120.400 -0.234 0.000 2.117 234 D HA 0.056 4.699 4.640 0.005 0.000 0.198 234 D C 2.668 178.929 176.300 -0.065 0.000 0.982 234 D CA 1.649 55.502 54.000 -0.245 0.000 0.828 234 D CB -0.401 40.005 40.800 -0.657 0.000 0.967 234 D HN 0.681 nan 8.370 nan 0.000 0.464 235 A N 0.629 123.360 122.820 -0.149 0.000 1.898 235 A HA -0.161 4.162 4.320 0.005 0.000 0.216 235 A C 2.061 179.710 177.584 0.109 0.000 1.181 235 A CA 0.921 52.924 52.037 -0.057 0.000 0.620 235 A CB -0.978 17.917 19.000 -0.175 0.000 0.819 235 A HN 0.243 nan 8.150 nan 0.000 0.442 236 W N 1.122 122.466 121.300 0.073 0.000 2.358 236 W HA -0.167 4.495 4.660 0.003 0.000 0.303 236 W C 2.954 179.521 176.519 0.080 0.000 1.208 236 W CA 1.626 59.018 57.345 0.078 0.000 1.274 236 W CB -1.468 28.044 29.460 0.086 0.000 1.138 236 W HN 0.567 nan 8.180 nan 0.000 0.515 237 S N -0.606 115.275 115.700 0.301 0.000 2.383 237 S HA -0.131 4.342 4.470 0.005 0.000 0.227 237 S C 1.900 176.613 174.600 0.187 0.000 1.026 237 S CA 1.501 59.819 58.200 0.198 0.000 0.981 237 S CB -0.796 62.488 63.200 0.141 0.000 0.818 237 S HN 0.058 nan 8.310 nan 0.000 0.472 238 S N 1.790 117.631 115.700 0.236 0.000 2.368 238 S HA 0.001 4.474 4.470 0.005 0.000 0.224 238 S C 1.951 176.718 174.600 0.278 0.000 1.029 238 S CA 1.019 59.428 58.200 0.349 0.000 0.988 238 S CB -0.418 62.935 63.200 0.256 0.000 0.838 238 S HN 0.595 nan 8.310 nan 0.000 0.462 239 R N 0.963 121.588 120.500 0.208 0.000 2.081 239 R HA -0.011 4.332 4.340 0.005 0.000 0.235 239 R C 2.320 178.712 176.300 0.153 0.000 1.131 239 R CA 1.345 57.548 56.100 0.171 0.000 0.960 239 R CB -0.422 30.004 30.300 0.210 0.000 0.856 239 R HN 0.444 nan 8.270 nan 0.000 0.436 240 I N 0.757 121.424 120.570 0.163 0.000 2.286 240 I HA -0.272 3.901 4.170 0.005 0.000 0.248 240 I C 1.844 178.042 176.117 0.135 0.000 1.115 240 I CA 1.144 62.525 61.300 0.134 0.000 1.392 240 I CB 0.053 38.134 38.000 0.135 0.000 1.065 240 I HN 0.299 nan 8.210 nan 0.000 0.418 241 L N 0.190 121.497 121.223 0.139 0.000 2.056 241 L HA -0.226 4.117 4.340 0.005 0.000 0.207 241 L C 2.513 179.461 176.870 0.130 0.000 1.078 241 L CA 1.305 56.226 54.840 0.134 0.000 0.749 241 L CB -0.516 41.573 42.059 0.050 0.000 0.901 241 L HN 0.310 nan 8.230 nan 0.000 0.433 242 L N -0.760 120.540 121.223 0.129 0.000 2.093 242 L HA -0.171 4.172 4.340 0.005 0.000 0.208 242 L C 2.706 179.580 176.870 0.006 0.000 1.085 242 L CA 0.972 55.843 54.840 0.051 0.000 0.755 242 L CB -0.525 41.541 42.059 0.012 0.000 0.904 242 L HN 0.268 nan 8.230 nan 0.000 0.435 243 E N 0.240 120.461 120.200 0.034 0.000 2.106 243 E HA -0.222 4.131 4.350 0.005 0.000 0.192 243 E C 1.997 178.602 176.600 0.008 0.000 0.984 243 E CA 1.033 57.442 56.400 0.015 0.000 0.806 243 E CB -0.112 29.613 29.700 0.042 0.000 0.750 243 E HN 0.551 nan 8.360 nan 0.000 0.458 244 E N 0.271 120.500 120.200 0.048 0.000 2.204 244 E HA -0.067 4.286 4.350 0.005 0.000 0.194 244 E C 1.917 178.525 176.600 0.013 0.000 0.989 244 E CA 0.393 56.824 56.400 0.052 0.000 0.824 244 E CB -0.041 29.738 29.700 0.132 0.000 0.756 244 E HN 0.122 nan 8.360 nan 0.000 0.477 245 M N -1.111 118.489 119.600 0.001 0.000 2.562 245 M HA -0.016 4.467 4.480 0.005 0.000 0.257 245 M C 0.979 177.198 176.300 -0.134 0.000 1.099 245 M CA 1.208 56.483 55.300 -0.041 0.000 1.099 245 M CB 0.526 33.110 32.600 -0.027 0.000 1.427 245 M HN 0.269 nan 8.290 nan 0.000 0.489 246 G N 0.380 109.088 108.800 -0.153 0.000 2.179 246 G HA2 -0.181 3.782 3.960 0.005 0.000 0.220 246 G HA3 -0.181 3.782 3.960 0.005 0.000 0.220 246 G C -0.001 174.698 174.900 -0.336 0.000 0.990 246 G CA -0.218 44.728 45.100 -0.257 0.000 0.646 246 G HN 0.385 nan 8.290 nan 0.000 0.517 247 L N 0.212 121.270 121.223 -0.276 0.000 2.439 247 L HA 0.618 4.961 4.340 0.005 0.000 0.261 247 L C 1.007 177.819 176.870 -0.097 0.000 1.153 247 L CA -0.805 53.878 54.840 -0.262 0.000 0.808 247 L CB 1.106 42.977 42.059 -0.313 0.000 1.126 247 L HN 0.216 nan 8.230 nan 0.000 0.460 248 R N 0.698 121.190 120.500 -0.015 0.000 2.338 248 R HA 0.402 4.745 4.340 0.005 0.000 0.317 248 R C -1.442 174.892 176.300 0.056 0.000 0.968 248 R CA -0.538 55.587 56.100 0.043 0.000 0.849 248 R CB 1.183 31.540 30.300 0.096 0.000 1.128 248 R HN 0.635 nan 8.270 nan 0.000 0.448 249 C N 5.371 124.706 119.300 0.058 0.000 2.200 249 C HA 0.187 4.650 4.460 0.005 0.000 0.328 249 C C 1.799 176.838 174.990 0.083 0.000 1.148 249 C CA -0.812 58.243 59.018 0.062 0.000 1.624 249 C CB 0.039 27.814 27.740 0.059 0.000 2.167 249 C HN 0.787 nan 8.230 nan 0.000 0.484 250 V N 2.539 122.505 119.914 0.087 0.000 2.358 250 V HA -0.013 4.110 4.120 0.005 0.000 0.246 250 V C 1.309 177.439 176.094 0.061 0.000 1.047 250 V CA 1.998 64.339 62.300 0.068 0.000 1.035 250 V CB -0.491 31.357 31.823 0.042 0.000 0.658 250 V HN 0.942 nan 8.190 nan 0.000 0.452 251 A N -0.900 121.976 122.820 0.094 0.000 2.539 251 A HA 0.728 5.051 4.320 0.005 0.000 0.296 251 A C -0.960 176.750 177.584 0.211 0.000 1.073 251 A CA -0.591 51.547 52.037 0.170 0.000 0.700 251 A CB 1.581 20.759 19.000 0.298 0.000 1.296 251 A HN 0.298 nan 8.150 nan 0.000 0.405 252 Q N 0.535 120.479 119.800 0.241 0.000 2.325 252 Q HA 0.417 4.760 4.340 0.005 0.000 0.270 252 Q C -1.961 174.200 176.000 0.269 0.000 1.020 252 Q CA -0.169 55.750 55.803 0.193 0.000 0.785 252 Q CB 2.061 30.858 28.738 0.097 0.000 1.259 252 Q HN 0.664 nan 8.270 nan 0.000 0.452 253 W N 1.579 122.754 121.300 -0.209 0.000 2.362 253 W HA 0.283 4.946 4.660 0.005 0.000 0.316 253 W C 0.369 176.552 176.519 -0.560 0.000 1.024 253 W CA -0.834 56.344 57.345 -0.279 0.000 1.270 253 W CB 1.465 30.784 29.460 -0.235 0.000 1.273 253 W HN 0.613 nan 8.180 nan 0.000 0.424 254 S N 0.746 116.259 115.700 -0.312 0.000 2.730 254 S HA 0.323 4.796 4.470 0.005 0.000 0.244 254 S C 0.646 175.216 174.600 -0.051 0.000 1.022 254 S CA -0.442 57.685 58.200 -0.121 0.000 1.014 254 S CB 0.136 63.268 63.200 -0.112 0.000 0.963 254 S HN 0.448 nan 8.310 nan 0.000 0.540 255 G N 1.389 110.146 108.800 -0.071 0.000 2.365 255 G HA2 0.372 4.335 3.960 0.005 0.000 0.249 255 G HA3 0.372 4.335 3.960 0.005 0.000 0.249 255 G C 0.141 175.026 174.900 -0.025 0.000 1.288 255 G CA 0.187 45.272 45.100 -0.024 0.000 0.887 255 G HN 0.326 nan 8.290 nan 0.000 0.524 256 D N 0.101 120.528 120.400 0.045 0.000 2.911 256 D HA -0.129 4.514 4.640 0.005 0.000 0.227 256 D C 1.024 177.403 176.300 0.131 0.000 1.164 256 D CA 1.616 55.716 54.000 0.167 0.000 0.782 256 D CB -1.098 39.849 40.800 0.244 0.000 1.094 256 D HN 0.784 nan 8.370 nan 0.000 0.425 257 G N -0.861 107.963 108.800 0.040 0.000 2.537 257 G HA2 0.577 4.540 3.960 0.005 0.000 0.273 257 G HA3 0.577 4.540 3.960 0.005 0.000 0.273 257 G C -0.206 174.682 174.900 -0.019 0.000 1.189 257 G CA 0.182 45.273 45.100 -0.015 0.000 0.881 257 G HN 0.715 nan 8.290 nan 0.000 0.535 258 S N -0.319 115.352 115.700 -0.047 0.000 2.599 258 S HA 0.384 4.857 4.470 0.005 0.000 0.287 258 S C 0.949 175.496 174.600 -0.089 0.000 1.105 258 S CA -0.730 57.450 58.200 -0.035 0.000 0.899 258 S CB 1.840 65.041 63.200 0.001 0.000 1.100 258 S HN 0.604 nan 8.310 nan 0.000 0.482 259 I N 1.706 122.240 120.570 -0.061 0.000 2.394 259 I HA -0.168 4.005 4.170 0.005 0.000 0.251 259 I C 2.341 178.417 176.117 -0.069 0.000 1.136 259 I CA 1.796 63.050 61.300 -0.076 0.000 1.425 259 I CB -0.205 37.788 38.000 -0.012 0.000 1.079 259 I HN 0.902 nan 8.210 nan 0.000 0.425 260 S N -0.015 115.660 115.700 -0.043 0.000 2.383 260 S HA -0.200 4.273 4.470 0.005 0.000 0.227 260 S C 1.774 176.333 174.600 -0.067 0.000 1.026 260 S CA 1.208 59.384 58.200 -0.040 0.000 0.981 260 S CB -0.557 62.631 63.200 -0.020 0.000 0.818 260 S HN 0.571 nan 8.310 nan 0.000 0.472 261 E N 1.129 121.292 120.200 -0.062 0.000 2.072 261 E HA -0.017 4.336 4.350 0.005 0.000 0.191 261 E C 2.068 178.651 176.600 -0.028 0.000 0.985 261 E CA 1.358 57.730 56.400 -0.046 0.000 0.801 261 E CB -0.356 29.338 29.700 -0.009 0.000 0.750 261 E HN 0.580 nan 8.360 nan 0.000 0.452 262 I N 1.363 121.861 120.570 -0.120 0.000 2.226 262 I HA -0.252 3.921 4.170 0.005 0.000 0.245 262 I C 2.135 178.250 176.117 -0.004 0.000 1.100 262 I CA 1.234 62.436 61.300 -0.162 0.000 1.374 262 I CB -0.253 37.413 38.000 -0.557 0.000 1.057 262 I HN 0.084 nan 8.210 nan 0.000 0.413 263 E N 0.669 120.841 120.200 -0.047 0.000 2.204 263 E HA -0.148 4.205 4.350 0.005 0.000 0.194 263 E C 2.058 178.626 176.600 -0.053 0.000 0.989 263 E CA 0.939 57.328 56.400 -0.020 0.000 0.824 263 E CB -0.027 29.661 29.700 -0.020 0.000 0.756 263 E HN 0.522 nan 8.360 nan 0.000 0.477 264 L N 0.756 121.914 121.223 -0.108 0.000 2.591 264 L HA -0.001 4.342 4.340 0.005 0.000 0.228 264 L C 1.986 178.751 176.870 -0.176 0.000 1.133 264 L CA 0.332 55.025 54.840 -0.245 0.000 0.880 264 L CB -0.167 41.620 42.059 -0.454 0.000 1.033 264 L HN 0.129 nan 8.230 nan 0.000 0.450 265 T N 0.583 115.128 114.554 -0.015 0.000 2.746 265 T HA -0.075 4.278 4.350 0.005 0.000 0.267 265 T C -0.515 174.151 174.700 -0.056 0.000 1.039 265 T CA 1.144 63.270 62.100 0.043 0.000 1.142 265 T CB -1.057 67.972 68.868 0.268 0.000 0.866 265 T HN 0.291 nan 8.240 nan 0.000 0.444 266 P HA -0.066 nan 4.420 nan 0.000 0.223 266 P C 1.100 178.281 177.300 -0.199 0.000 1.144 266 P CA 1.001 63.891 63.100 -0.351 0.000 0.783 266 P CB -0.036 31.134 31.700 -0.884 0.000 0.771 267 K N 0.321 120.671 120.400 -0.084 0.000 2.283 267 K HA 0.004 4.327 4.320 0.005 0.000 0.202 267 K C 1.298 177.973 176.600 0.124 0.000 1.048 267 K CA 0.379 56.711 56.287 0.075 0.000 0.948 267 K CB -0.981 31.658 32.500 0.231 0.000 0.742 267 K HN 0.236 nan 8.250 nan 0.000 0.458 268 V N 0.627 120.587 119.914 0.076 0.000 2.740 268 V HA 0.054 4.178 4.120 0.005 0.000 0.303 268 V C 1.227 177.370 176.094 0.082 0.000 1.054 268 V CA -0.364 61.996 62.300 0.101 0.000 1.106 268 V CB 0.940 32.803 31.823 0.068 0.000 0.957 268 V HN -0.031 nan 8.190 nan 0.000 0.486 269 K N 2.751 123.220 120.400 0.115 0.000 2.057 269 K HA 0.157 4.480 4.320 0.005 0.000 0.206 269 K C 0.285 176.925 176.600 0.067 0.000 1.050 269 K CA 1.172 57.514 56.287 0.091 0.000 0.935 269 K CB -0.455 32.123 32.500 0.131 0.000 0.715 269 K HN 0.718 nan 8.250 nan 0.000 0.439 270 L N 0.165 121.460 121.223 0.119 0.000 2.409 270 L HA 0.349 4.692 4.340 0.005 0.000 0.262 270 L C -1.588 175.321 176.870 0.066 0.000 0.992 270 L CA -0.496 54.392 54.840 0.080 0.000 0.817 270 L CB 2.146 44.266 42.059 0.100 0.000 1.350 270 L HN -0.016 nan 8.230 nan 0.000 0.411 271 N N 3.676 122.408 118.700 0.054 0.000 2.417 271 N HA 0.594 5.337 4.740 0.005 0.000 0.274 271 N C -1.450 174.092 175.510 0.053 0.000 0.987 271 N CA -0.591 52.463 53.050 0.006 0.000 0.912 271 N CB 1.376 39.847 38.487 -0.026 0.000 1.177 271 N HN 0.488 nan 8.380 nan 0.000 0.490 272 L N 2.843 124.061 121.223 -0.009 0.000 2.264 272 L HA 0.442 4.785 4.340 0.005 0.000 0.289 272 L C -0.501 176.470 176.870 0.168 0.000 1.044 272 L CA -0.825 54.016 54.840 0.000 0.000 0.807 272 L CB 1.196 43.047 42.059 -0.346 0.000 1.192 272 L HN 0.204 nan 8.230 nan 0.000 0.425 273 V N 3.474 123.565 119.914 0.294 0.000 2.311 273 V HA 0.119 4.242 4.120 0.005 0.000 0.275 273 V C 0.897 177.071 176.094 0.133 0.000 1.022 273 V CA -0.364 62.046 62.300 0.183 0.000 0.830 273 V CB 1.002 32.894 31.823 0.114 0.000 1.012 273 V HN 0.744 nan 8.190 nan 0.000 0.452 274 H N 3.073 122.098 119.070 -0.076 0.000 2.343 274 H HA 0.016 4.576 4.556 0.006 0.000 0.303 274 H C 1.009 176.199 175.328 -0.230 0.000 1.068 274 H CA 1.398 57.176 56.048 -0.450 0.000 1.359 274 H CB 0.649 30.098 29.762 -0.522 0.000 1.402 274 H HN 0.600 nan 8.280 nan 0.000 0.515 275 C N 1.869 121.160 119.300 -0.016 0.000 2.239 275 C HA 0.144 4.607 4.460 0.005 0.000 0.323 275 C C 1.480 176.414 174.990 -0.093 0.000 1.205 275 C CA -0.900 58.099 59.018 -0.033 0.000 1.584 275 C CB -1.584 26.209 27.740 0.089 0.000 2.201 275 C HN 0.552 nan 8.230 nan 0.000 0.475 276 Y N 4.555 124.730 120.300 -0.209 0.000 2.200 276 Y HA -0.048 4.505 4.550 0.005 0.000 0.290 276 Y C 2.424 178.143 175.900 -0.300 0.000 1.137 276 Y CA 2.299 60.258 58.100 -0.236 0.000 1.163 276 Y CB -0.229 38.128 38.460 -0.172 0.000 0.988 276 Y HN 0.757 nan 8.280 nan 0.000 0.518 277 R N 0.759 121.097 120.500 -0.271 0.000 2.073 277 R HA -0.151 4.192 4.340 0.005 0.000 0.234 277 R C 2.573 178.676 176.300 -0.328 0.000 1.134 277 R CA 2.164 58.065 56.100 -0.331 0.000 0.952 277 R CB -1.001 29.267 30.300 -0.053 0.000 0.850 277 R HN 0.480 nan 8.270 nan 0.000 0.433 278 S N -0.726 114.807 115.700 -0.278 0.000 2.368 278 S HA -0.090 4.383 4.470 0.005 0.000 0.224 278 S C 1.696 176.198 174.600 -0.163 0.000 1.029 278 S CA 1.393 59.364 58.200 -0.381 0.000 0.988 278 S CB -0.065 62.832 63.200 -0.506 0.000 0.838 278 S HN 0.408 nan 8.310 nan 0.000 0.462 279 M N 1.724 121.169 119.600 -0.258 0.000 2.502 279 M HA 0.278 4.761 4.480 0.005 0.000 0.351 279 M C 1.095 177.092 176.300 -0.505 0.000 1.118 279 M CA 0.046 55.202 55.300 -0.240 0.000 0.952 279 M CB 0.186 32.715 32.600 -0.119 0.000 1.424 279 M HN 0.594 nan 8.290 nan 0.000 0.529 280 N N 0.279 118.458 118.700 -0.870 0.000 2.309 280 N HA -0.189 4.554 4.740 0.005 0.000 0.182 280 N C 1.149 176.144 175.510 -0.859 0.000 1.018 280 N CA 1.584 53.968 53.050 -1.110 0.000 0.876 280 N CB -0.335 37.204 38.487 -1.580 0.000 0.972 280 N HN 0.267 nan 8.380 nan 0.000 0.434 281 Y N 0.013 120.032 120.300 -0.469 0.000 2.181 281 Y HA -0.022 4.531 4.550 0.005 0.000 0.288 281 Y C 2.189 177.962 175.900 -0.212 0.000 1.146 281 Y CA 0.529 58.416 58.100 -0.355 0.000 1.164 281 Y CB -0.614 37.568 38.460 -0.463 0.000 0.982 281 Y HN 0.130 nan 8.280 nan 0.000 0.515 282 I N -0.310 120.234 120.570 -0.042 0.000 2.315 282 I HA -0.242 3.931 4.170 0.005 0.000 0.248 282 I C 2.194 178.247 176.117 -0.107 0.000 1.117 282 I CA 1.269 62.572 61.300 0.006 0.000 1.404 282 I CB -0.562 37.489 38.000 0.085 0.000 1.071 282 I HN 0.051 nan 8.210 nan 0.000 0.419 283 S N 0.546 116.022 115.700 -0.373 0.000 2.368 283 S HA -0.179 4.294 4.470 0.005 0.000 0.225 283 S C 2.076 176.454 174.600 -0.371 0.000 1.030 283 S CA 1.290 59.172 58.200 -0.531 0.000 0.999 283 S CB -0.410 62.145 63.200 -1.075 0.000 0.844 283 S HN 0.454 nan 8.310 nan 0.000 0.459 284 R N 0.158 120.453 120.500 -0.342 0.000 2.075 284 R HA -0.105 4.238 4.340 0.005 0.000 0.232 284 R C 2.377 178.727 176.300 0.083 0.000 1.126 284 R CA 1.597 57.704 56.100 0.012 0.000 0.963 284 R CB -0.512 29.805 30.300 0.028 0.000 0.858 284 R HN 0.548 nan 8.270 nan 0.000 0.435 285 H N 0.762 119.832 119.070 0.000 0.000 2.353 285 H HA -0.044 4.515 4.556 0.005 0.000 0.300 285 H C 2.019 177.382 175.328 0.058 0.000 1.090 285 H CA 1.927 57.998 56.048 0.037 0.000 1.327 285 H CB -0.031 29.765 29.762 0.056 0.000 1.383 285 H HN 0.043 nan 8.280 nan 0.000 0.508 286 M N -0.165 119.435 119.600 -0.000 0.000 2.175 286 M HA -0.128 4.355 4.480 0.005 0.000 0.264 286 M C 2.407 178.740 176.300 0.055 0.000 1.063 286 M CA 1.910 57.260 55.300 0.083 0.000 1.119 286 M CB -0.179 32.508 32.600 0.146 0.000 1.377 286 M HN 0.489 nan 8.290 nan 0.000 0.415 287 E N 0.712 120.963 120.200 0.084 0.000 2.072 287 E HA -0.195 4.158 4.350 0.005 0.000 0.191 287 E C 1.699 178.303 176.600 0.007 0.000 0.985 287 E CA 1.266 57.730 56.400 0.107 0.000 0.801 287 E CB 0.149 29.981 29.700 0.220 0.000 0.750 287 E HN 0.514 nan 8.360 nan 0.000 0.452 288 E N 0.437 120.609 120.200 -0.047 0.000 2.028 288 E HA -0.203 4.150 4.350 0.005 0.000 0.191 288 E C 2.137 178.611 176.600 -0.210 0.000 0.988 288 E CA 1.143 57.486 56.400 -0.094 0.000 0.799 288 E CB -0.048 29.609 29.700 -0.072 0.000 0.755 288 E HN 0.094 nan 8.360 nan 0.000 0.447 289 K N 0.208 120.349 120.400 -0.433 0.000 2.001 289 K HA -0.137 4.186 4.320 0.005 0.000 0.208 289 K C 1.454 177.699 176.600 -0.592 0.000 1.048 289 K CA 1.352 57.260 56.287 -0.633 0.000 0.932 289 K CB -0.002 31.839 32.500 -1.098 0.000 0.715 289 K HN 0.104 nan 8.250 nan 0.000 0.437 290 Y N -0.891 119.351 120.300 -0.097 0.000 2.458 290 Y HA 0.300 4.854 4.550 0.005 0.000 0.256 290 Y C 1.298 177.184 175.900 -0.022 0.000 1.159 290 Y CA 0.134 58.211 58.100 -0.037 0.000 1.261 290 Y CB 0.847 39.298 38.460 -0.015 0.000 1.119 290 Y HN 0.355 nan 8.280 nan 0.000 0.524 291 G N 1.029 109.870 108.800 0.069 0.000 2.162 291 G HA2 -0.323 3.640 3.960 0.005 0.000 0.260 291 G HA3 -0.323 3.640 3.960 0.005 0.000 0.260 291 G C 0.081 175.019 174.900 0.063 0.000 0.976 291 G CA 0.199 45.328 45.100 0.049 0.000 0.655 291 G HN 0.339 nan 8.290 nan 0.000 0.533 292 I N 3.197 123.829 120.570 0.102 0.000 2.396 292 I HA 0.284 4.457 4.170 0.005 0.000 0.289 292 I C -1.281 174.894 176.117 0.096 0.000 1.056 292 I CA -2.144 59.204 61.300 0.080 0.000 1.365 292 I CB 0.970 39.020 38.000 0.083 0.000 1.407 292 I HN -0.050 nan 8.210 nan 0.000 0.509 293 P HA 0.055 nan 4.420 nan 0.000 0.275 293 P C -1.372 175.983 177.300 0.092 0.000 1.228 293 P CA -0.200 62.903 63.100 0.004 0.000 0.786 293 P CB 0.611 32.262 31.700 -0.082 0.000 0.927 294 W N 4.044 125.321 121.300 -0.040 0.000 2.739 294 W HA 0.607 5.270 4.660 0.005 0.000 0.331 294 W C -1.308 175.200 176.519 -0.018 0.000 1.049 294 W CA -1.436 55.886 57.345 -0.039 0.000 1.234 294 W CB 0.899 30.329 29.460 -0.050 0.000 1.404 294 W HN 0.278 nan 8.180 nan 0.000 0.477 295 M N 1.452 121.169 119.600 0.195 0.000 2.326 295 M HA 0.523 5.006 4.480 0.005 0.000 0.306 295 M C -0.867 175.588 176.300 0.258 0.000 1.054 295 M CA -0.604 54.755 55.300 0.097 0.000 0.922 295 M CB 2.848 35.448 32.600 0.001 0.000 1.632 295 M HN 0.411 nan 8.290 nan 0.000 0.436 296 E N 3.291 123.643 120.200 0.252 0.000 2.338 296 E HA 0.351 4.704 4.350 0.005 0.000 0.272 296 E C -1.513 175.198 176.600 0.185 0.000 1.029 296 E CA -0.212 56.328 56.400 0.234 0.000 0.872 296 E CB 0.516 30.323 29.700 0.178 0.000 1.015 296 E HN 0.658 nan 8.360 nan 0.000 0.417 297 Y N 0.426 120.687 120.300 -0.064 0.000 2.581 297 Y HA 0.569 5.122 4.550 0.005 0.000 0.345 297 Y C -1.169 174.586 175.900 -0.242 0.000 1.036 297 Y CA -1.590 56.435 58.100 -0.124 0.000 1.042 297 Y CB 1.474 39.846 38.460 -0.148 0.000 1.289 297 Y HN 0.299 nan 8.280 nan 0.000 0.471 298 N N 2.100 120.645 118.700 -0.258 0.000 2.399 298 N HA 0.303 5.046 4.740 0.005 0.000 0.284 298 N C -1.525 173.988 175.510 0.006 0.000 1.025 298 N CA -0.720 52.057 53.050 -0.456 0.000 0.885 298 N CB 0.787 38.904 38.487 -0.617 0.000 1.339 298 N HN 0.698 nan 8.380 nan 0.000 0.487 299 F N 1.976 121.734 119.950 -0.319 0.000 2.639 299 F HA 0.410 4.940 4.527 0.005 0.000 0.302 299 F C -0.125 175.392 175.800 -0.472 0.000 1.097 299 F CA -0.755 57.024 58.000 -0.369 0.000 1.294 299 F CB -0.323 38.469 39.000 -0.346 0.000 1.027 299 F HN 0.334 nan 8.300 nan 0.000 0.550 300 F N 0.929 120.774 119.950 -0.175 0.000 2.424 300 F HA 0.520 5.050 4.527 0.004 0.000 0.356 300 F C 0.977 176.556 175.800 -0.369 0.000 1.110 300 F CA -0.383 57.466 58.000 -0.251 0.000 1.161 300 F CB 0.334 39.196 39.000 -0.229 0.000 1.115 300 F HN 0.144 nan 8.300 nan 0.000 0.507 301 G N 5.140 113.801 108.800 -0.231 0.000 2.722 301 G HA2 -0.145 3.818 3.960 0.005 0.000 0.686 301 G HA3 -0.145 3.818 3.960 0.005 0.000 0.686 301 G C -2.094 172.373 174.900 -0.722 0.000 1.282 301 G CA -0.852 43.950 45.100 -0.496 0.000 0.817 301 G HN 0.431 nan 8.290 nan 0.000 0.605 302 P HA -0.112 nan 4.420 nan 0.000 0.218 302 P C 1.748 178.586 177.300 -0.771 0.000 1.149 302 P CA 2.142 64.619 63.100 -1.038 0.000 0.817 302 P CB -0.006 30.584 31.700 -1.849 0.000 0.785 303 T N 0.309 114.482 114.554 -0.636 0.000 2.777 303 T HA -0.068 4.285 4.350 0.005 0.000 0.266 303 T C 1.838 176.363 174.700 -0.293 0.000 1.040 303 T CA 1.201 63.062 62.100 -0.397 0.000 1.141 303 T CB -0.288 68.403 68.868 -0.295 0.000 0.868 303 T HN 0.113 nan 8.240 nan 0.000 0.444 304 K N 1.095 121.318 120.400 -0.294 0.000 2.097 304 K HA 0.001 4.324 4.320 0.005 0.000 0.205 304 K C 2.521 178.998 176.600 -0.205 0.000 1.050 304 K CA 1.203 57.359 56.287 -0.218 0.000 0.938 304 K CB -0.959 31.413 32.500 -0.213 0.000 0.718 304 K HN 0.384 nan 8.250 nan 0.000 0.442 305 T N 1.971 116.299 114.554 -0.376 0.000 2.746 305 T HA -0.055 4.298 4.350 0.005 0.000 0.267 305 T C 2.152 176.632 174.700 -0.366 0.000 1.039 305 T CA 1.077 62.830 62.100 -0.578 0.000 1.142 305 T CB -0.195 67.961 68.868 -1.186 0.000 0.866 305 T HN 0.103 nan 8.240 nan 0.000 0.444 306 I N 1.004 121.422 120.570 -0.253 0.000 2.252 306 I HA -0.133 4.040 4.170 0.005 0.000 0.245 306 I C 2.833 178.924 176.117 -0.045 0.000 1.102 306 I CA 1.347 62.605 61.300 -0.070 0.000 1.385 306 I CB -0.338 37.642 38.000 -0.034 0.000 1.064 306 I HN 0.327 nan 8.210 nan 0.000 0.414 307 E N 0.791 120.948 120.200 -0.072 0.000 2.077 307 E HA -0.201 4.152 4.350 0.005 0.000 0.193 307 E C 2.228 178.834 176.600 0.010 0.000 0.989 307 E CA 1.622 58.001 56.400 -0.035 0.000 0.800 307 E CB 0.100 29.764 29.700 -0.060 0.000 0.746 307 E HN 0.335 nan 8.360 nan 0.000 0.452 308 S N 0.574 116.298 115.700 0.040 0.000 2.368 308 S HA -0.076 4.397 4.470 0.005 0.000 0.224 308 S C 1.956 176.657 174.600 0.168 0.000 1.029 308 S CA 0.822 59.118 58.200 0.161 0.000 0.988 308 S CB -0.187 63.247 63.200 0.389 0.000 0.838 308 S HN 0.261 nan 8.310 nan 0.000 0.462 309 L N 0.615 121.911 121.223 0.123 0.000 2.046 309 L HA -0.117 4.226 4.340 0.005 0.000 0.208 309 L C 2.698 179.616 176.870 0.081 0.000 1.077 309 L CA 1.167 56.069 54.840 0.103 0.000 0.747 309 L CB -0.313 41.776 42.059 0.050 0.000 0.896 309 L HN 0.156 nan 8.230 nan 0.000 0.432 310 R N -0.086 120.451 120.500 0.061 0.000 2.081 310 R HA -0.124 4.219 4.340 0.005 0.000 0.235 310 R C 2.325 178.659 176.300 0.057 0.000 1.131 310 R CA 1.607 57.739 56.100 0.053 0.000 0.960 310 R CB -0.595 29.726 30.300 0.035 0.000 0.856 310 R HN 0.374 nan 8.270 nan 0.000 0.436 311 A N 0.201 123.053 122.820 0.054 0.000 1.898 311 A HA -0.094 4.229 4.320 0.005 0.000 0.216 311 A C 2.176 179.800 177.584 0.067 0.000 1.181 311 A CA 1.357 53.422 52.037 0.046 0.000 0.620 311 A CB -0.536 18.486 19.000 0.036 0.000 0.819 311 A HN 0.279 nan 8.150 nan 0.000 0.442 312 I N -0.180 120.442 120.570 0.088 0.000 2.226 312 I HA -0.271 3.902 4.170 0.005 0.000 0.245 312 I C 2.931 179.194 176.117 0.242 0.000 1.100 312 I CA 1.090 62.469 61.300 0.132 0.000 1.374 312 I CB -0.388 37.657 38.000 0.074 0.000 1.057 312 I HN 0.354 nan 8.210 nan 0.000 0.413 313 A N 0.769 123.692 122.820 0.173 0.000 1.972 313 A HA -0.113 4.210 4.320 0.005 0.000 0.219 313 A C 2.528 180.231 177.584 0.199 0.000 1.169 313 A CA 1.700 53.851 52.037 0.190 0.000 0.635 313 A CB -0.637 18.420 19.000 0.096 0.000 0.810 313 A HN 0.443 nan 8.150 nan 0.000 0.446 314 A N -0.016 122.877 122.820 0.122 0.000 1.898 314 A HA -0.110 4.213 4.320 0.005 0.000 0.216 314 A C 1.964 179.575 177.584 0.045 0.000 1.181 314 A CA 1.485 53.565 52.037 0.071 0.000 0.620 314 A CB -0.339 18.681 19.000 0.033 0.000 0.819 314 A HN 0.371 nan 8.150 nan 0.000 0.442 315 K N -1.128 119.285 120.400 0.021 0.000 2.442 315 K HA -0.028 4.295 4.320 0.005 0.000 0.199 315 K C -0.347 176.048 176.600 -0.340 0.000 1.044 315 K CA 0.555 56.748 56.287 -0.157 0.000 0.941 315 K CB -0.305 32.076 32.500 -0.199 0.000 0.759 315 K HN 0.520 nan 8.250 nan 0.000 0.472 316 F N 0.650 120.625 119.950 0.042 0.000 2.611 316 F HA 0.109 4.639 4.527 0.005 0.000 0.374 316 F C 0.832 176.681 175.800 0.081 0.000 1.110 316 F CA -1.558 56.493 58.000 0.086 0.000 1.090 316 F CB 0.485 39.569 39.000 0.141 0.000 1.388 316 F HN -0.056 nan 8.300 nan 0.000 0.501 317 D N -0.705 119.903 120.400 0.346 0.000 2.398 317 D HA 0.089 4.732 4.640 0.005 0.000 0.247 317 D C 0.514 176.909 176.300 0.158 0.000 1.227 317 D CA -0.251 53.873 54.000 0.207 0.000 0.980 317 D CB 0.366 41.295 40.800 0.215 0.000 1.106 317 D HN 0.635 nan 8.370 nan 0.000 0.493 318 E N -0.609 119.652 120.200 0.102 0.000 2.219 318 E HA -0.238 4.115 4.350 0.005 0.000 0.198 318 E C 1.944 178.575 176.600 0.053 0.000 0.998 318 E CA 1.494 57.934 56.400 0.068 0.000 0.818 318 E CB -0.172 29.558 29.700 0.049 0.000 0.741 318 E HN 0.590 nan 8.360 nan 0.000 0.477 319 S N 0.763 116.498 115.700 0.060 0.000 2.368 319 S HA -0.122 4.351 4.470 0.005 0.000 0.224 319 S C 2.006 176.587 174.600 -0.031 0.000 1.029 319 S CA 0.617 58.826 58.200 0.014 0.000 0.988 319 S CB -0.157 63.053 63.200 0.018 0.000 0.838 319 S HN 0.083 nan 8.310 nan 0.000 0.462 320 I N 2.338 122.890 120.570 -0.029 0.000 2.252 320 I HA -0.112 4.061 4.170 0.005 0.000 0.245 320 I C 2.850 178.960 176.117 -0.011 0.000 1.102 320 I CA 1.303 62.555 61.300 -0.080 0.000 1.385 320 I CB -1.700 36.270 38.000 -0.051 0.000 1.064 320 I HN 0.438 nan 8.210 nan 0.000 0.414 321 Q N 0.450 120.273 119.800 0.039 0.000 2.124 321 Q HA -0.236 4.107 4.340 0.005 0.000 0.202 321 Q C 2.300 178.314 176.000 0.023 0.000 0.977 321 Q CA 1.623 57.452 55.803 0.044 0.000 0.850 321 Q CB -0.114 28.657 28.738 0.054 0.000 0.901 321 Q HN 0.428 nan 8.270 nan 0.000 0.429 322 K N 1.043 121.451 120.400 0.013 0.000 2.057 322 K HA -0.144 4.179 4.320 0.005 0.000 0.206 322 K C 1.793 178.390 176.600 -0.006 0.000 1.050 322 K CA 1.082 57.371 56.287 0.004 0.000 0.935 322 K CB 0.131 32.632 32.500 0.000 0.000 0.715 322 K HN 0.004 nan 8.250 nan 0.000 0.439 323 K N 0.442 120.829 120.400 -0.021 0.000 2.147 323 K HA -0.152 4.171 4.320 0.005 0.000 0.205 323 K C 2.352 178.949 176.600 -0.005 0.000 1.049 323 K CA 1.222 57.491 56.287 -0.030 0.000 0.936 323 K CB -0.368 32.092 32.500 -0.068 0.000 0.722 323 K HN 0.317 nan 8.250 nan 0.000 0.446 324 C N 1.979 121.282 119.300 0.006 0.000 2.429 324 C HA -0.086 4.377 4.460 0.005 0.000 0.277 324 C C 2.394 177.412 174.990 0.047 0.000 1.262 324 C CA 0.984 60.023 59.018 0.035 0.000 1.733 324 C CB -0.531 27.233 27.740 0.040 0.000 2.010 324 C HN 0.373 nan 8.230 nan 0.000 0.483 325 E N 0.833 121.052 120.200 0.031 0.000 2.150 325 E HA -0.124 4.229 4.350 0.005 0.000 0.193 325 E C 2.118 178.728 176.600 0.016 0.000 0.985 325 E CA 1.236 57.654 56.400 0.029 0.000 0.814 325 E CB -0.484 29.228 29.700 0.019 0.000 0.752 325 E HN 0.772 nan 8.360 nan 0.000 0.466 326 E N 0.369 120.571 120.200 0.003 0.000 2.072 326 E HA -0.100 4.253 4.350 0.005 0.000 0.191 326 E C 2.240 178.823 176.600 -0.028 0.000 0.985 326 E CA 0.996 57.383 56.400 -0.020 0.000 0.801 326 E CB -0.035 29.648 29.700 -0.027 0.000 0.750 326 E HN 0.033 nan 8.360 nan 0.000 0.452 327 V N 1.801 121.724 119.914 0.015 0.000 2.358 327 V HA -0.232 3.891 4.120 0.005 0.000 0.246 327 V C 2.270 178.417 176.094 0.088 0.000 1.047 327 V CA 1.485 63.826 62.300 0.069 0.000 1.035 327 V CB -0.367 31.555 31.823 0.164 0.000 0.658 327 V HN 0.252 nan 8.190 nan 0.000 0.452 328 I N 0.314 120.943 120.570 0.098 0.000 2.394 328 I HA -0.182 3.991 4.170 0.005 0.000 0.251 328 I C 2.594 178.725 176.117 0.023 0.000 1.136 328 I CA 1.232 62.596 61.300 0.106 0.000 1.425 328 I CB -0.541 37.539 38.000 0.134 0.000 1.079 328 I HN 0.284 nan 8.210 nan 0.000 0.425 329 A N 0.755 123.566 122.820 -0.015 0.000 1.898 329 A HA -0.215 4.108 4.320 0.005 0.000 0.216 329 A C 2.435 179.939 177.584 -0.135 0.000 1.181 329 A CA 1.464 53.465 52.037 -0.060 0.000 0.620 329 A CB -0.440 18.527 19.000 -0.054 0.000 0.819 329 A HN 0.262 nan 8.150 nan 0.000 0.442 330 K N -1.467 118.821 120.400 -0.187 0.000 2.057 330 K HA -0.165 4.158 4.320 0.005 0.000 0.207 330 K C 1.284 177.611 176.600 -0.456 0.000 1.049 330 K CA 1.656 57.739 56.287 -0.339 0.000 0.931 330 K CB -0.251 31.975 32.500 -0.457 0.000 0.714 330 K HN 0.556 nan 8.250 nan 0.000 0.440 331 Y N 0.688 120.837 120.300 -0.252 0.000 2.466 331 Y HA 0.102 4.655 4.550 0.005 0.000 0.272 331 Y C 2.030 177.711 175.900 -0.366 0.000 1.169 331 Y CA 0.266 58.137 58.100 -0.382 0.000 1.285 331 Y CB 0.182 38.133 38.460 -0.849 0.000 1.078 331 Y HN 0.033 nan 8.280 nan 0.000 0.523 332 K N 1.172 121.434 120.400 -0.229 0.000 2.057 332 K HA -0.102 4.221 4.320 0.005 0.000 0.206 332 K C -0.798 175.364 176.600 -0.731 0.000 1.050 332 K CA 1.261 57.264 56.287 -0.474 0.000 0.935 332 K CB -0.827 31.531 32.500 -0.238 0.000 0.715 332 K HN 0.171 nan 8.250 nan 0.000 0.439 333 P HA -0.136 nan 4.420 nan 0.000 0.221 333 P C 0.404 177.549 177.300 -0.258 0.000 1.150 333 P CA 1.317 64.219 63.100 -0.330 0.000 0.800 333 P CB 0.071 31.647 31.700 -0.207 0.000 0.787 334 E N 0.238 120.342 120.200 -0.159 0.000 2.047 334 E HA -0.138 4.215 4.350 0.005 0.000 0.191 334 E C 2.328 178.988 176.600 0.100 0.000 0.987 334 E CA 1.176 57.584 56.400 0.013 0.000 0.799 334 E CB -0.793 29.000 29.700 0.156 0.000 0.752 334 E HN 0.530 nan 8.360 nan 0.000 0.449 335 W N 1.939 123.287 121.300 0.079 0.000 2.388 335 W HA -0.064 4.599 4.660 0.004 0.000 0.294 335 W C 1.194 177.811 176.519 0.163 0.000 1.212 335 W CA 0.714 58.157 57.345 0.163 0.000 1.271 335 W CB -0.489 29.036 29.460 0.108 0.000 1.126 335 W HN -0.020 nan 8.180 nan 0.000 0.535 336 E N 1.185 121.074 120.200 -0.519 0.000 2.204 336 E HA -0.098 4.256 4.350 0.005 0.000 0.194 336 E C 2.616 179.173 176.600 -0.072 0.000 0.989 336 E CA 1.215 57.358 56.400 -0.428 0.000 0.824 336 E CB -0.238 29.019 29.700 -0.740 0.000 0.756 336 E HN 0.328 nan 8.360 nan 0.000 0.477 337 A N 0.984 123.775 122.820 -0.049 0.000 1.898 337 A HA -0.117 4.206 4.320 0.005 0.000 0.216 337 A C 2.482 180.126 177.584 0.100 0.000 1.181 337 A CA 0.932 52.972 52.037 0.006 0.000 0.620 337 A CB -0.558 18.442 19.000 -0.000 0.000 0.819 337 A HN 0.109 nan 8.150 nan 0.000 0.442 338 V N -0.165 119.886 119.914 0.228 0.000 2.343 338 V HA -0.223 3.900 4.120 0.005 0.000 0.247 338 V C 2.611 178.941 176.094 0.394 0.000 1.051 338 V CA 2.014 64.529 62.300 0.360 0.000 1.036 338 V CB -0.614 31.489 31.823 0.466 0.000 0.654 338 V HN 0.390 nan 8.190 nan 0.000 0.451 339 V N 0.367 120.538 119.914 0.428 0.000 2.343 339 V HA -0.253 3.870 4.120 0.005 0.000 0.247 339 V C 2.685 178.905 176.094 0.210 0.000 1.051 339 V CA 2.000 64.532 62.300 0.388 0.000 1.036 339 V CB -1.275 30.794 31.823 0.410 0.000 0.654 339 V HN 0.555 nan 8.190 nan 0.000 0.451 340 A N -0.072 122.821 122.820 0.121 0.000 1.902 340 A HA -0.258 4.065 4.320 0.005 0.000 0.217 340 A C 2.379 179.957 177.584 -0.010 0.000 1.181 340 A CA 2.212 54.274 52.037 0.042 0.000 0.623 340 A CB -0.477 18.523 19.000 0.001 0.000 0.818 340 A HN 0.530 nan 8.150 nan 0.000 0.443 341 K N -1.830 118.529 120.400 -0.068 0.000 2.057 341 K HA -0.142 4.181 4.320 0.005 0.000 0.206 341 K C 1.511 177.889 176.600 -0.371 0.000 1.050 341 K CA 1.670 57.789 56.287 -0.279 0.000 0.935 341 K CB -0.237 31.974 32.500 -0.482 0.000 0.715 341 K HN 0.550 nan 8.250 nan 0.000 0.439 342 Y N -0.087 120.232 120.300 0.031 0.000 2.497 342 Y HA 0.181 4.734 4.550 0.005 0.000 0.265 342 Y C 2.227 178.145 175.900 0.030 0.000 1.111 342 Y CA 0.059 58.165 58.100 0.010 0.000 1.288 342 Y CB 0.090 38.526 38.460 -0.039 0.000 1.082 342 Y HN 0.012 nan 8.280 nan 0.000 0.536 343 R N 1.093 121.704 120.500 0.185 0.000 2.075 343 R HA -0.081 4.262 4.340 0.005 0.000 0.232 343 R C -0.837 175.521 176.300 0.096 0.000 1.126 343 R CA 1.266 57.455 56.100 0.148 0.000 0.963 343 R CB -1.173 29.216 30.300 0.149 0.000 0.858 343 R HN 0.190 nan 8.270 nan 0.000 0.435 344 P HA -0.151 nan 4.420 nan 0.000 0.216 344 P C 0.727 178.054 177.300 0.046 0.000 1.150 344 P CA 1.365 64.491 63.100 0.043 0.000 0.837 344 P CB -0.176 31.535 31.700 0.019 0.000 0.786 345 R N -0.440 120.095 120.500 0.058 0.000 2.075 345 R HA 0.035 4.378 4.340 0.005 0.000 0.232 345 R C 2.202 178.542 176.300 0.067 0.000 1.126 345 R CA 1.085 57.225 56.100 0.067 0.000 0.963 345 R CB -0.584 29.777 30.300 0.101 0.000 0.858 345 R HN 0.252 nan 8.270 nan 0.000 0.435 346 L N 0.363 121.632 121.223 0.078 0.000 2.607 346 L HA 0.158 4.501 4.340 0.005 0.000 0.228 346 L C 0.359 177.262 176.870 0.055 0.000 1.123 346 L CA -0.258 54.616 54.840 0.057 0.000 0.890 346 L CB 0.132 42.224 42.059 0.054 0.000 1.103 346 L HN 0.074 nan 8.230 nan 0.000 0.468 347 E N 0.703 120.937 120.200 0.057 0.000 2.465 347 E HA 0.178 4.531 4.350 0.005 0.000 0.260 347 E C 1.259 177.877 176.600 0.030 0.000 0.980 347 E CA 0.987 57.416 56.400 0.049 0.000 0.927 347 E CB 0.386 30.114 29.700 0.047 0.000 0.934 347 E HN 0.291 nan 8.360 nan 0.000 0.459 348 G N 3.762 112.578 108.800 0.027 0.000 2.184 348 G HA2 -0.272 3.691 3.960 0.005 0.000 0.264 348 G HA3 -0.272 3.691 3.960 0.005 0.000 0.264 348 G C -0.145 174.751 174.900 -0.006 0.000 0.975 348 G CA 0.181 45.287 45.100 0.010 0.000 0.642 348 G HN 0.423 nan 8.290 nan 0.000 0.536 349 K N 0.964 121.362 120.400 -0.005 0.000 2.339 349 K HA 0.342 4.665 4.320 0.005 0.000 0.286 349 K C 0.835 177.402 176.600 -0.054 0.000 1.050 349 K CA -0.307 55.962 56.287 -0.031 0.000 0.956 349 K CB 0.835 33.319 32.500 -0.026 0.000 0.990 349 K HN 0.429 nan 8.250 nan 0.000 0.475 350 R N 1.102 121.555 120.500 -0.080 0.000 2.390 350 R HA 0.322 4.665 4.340 0.005 0.000 0.291 350 R C -0.152 176.051 176.300 -0.162 0.000 1.070 350 R CA -0.499 55.537 56.100 -0.106 0.000 1.014 350 R CB 0.754 30.997 30.300 -0.094 0.000 1.007 350 R HN 0.202 nan 8.270 nan 0.000 0.466 351 V N 4.389 124.179 119.914 -0.208 0.000 2.604 351 V HA 0.421 4.544 4.120 0.005 0.000 0.305 351 V C -0.127 175.816 176.094 -0.252 0.000 1.043 351 V CA -0.749 61.368 62.300 -0.304 0.000 0.888 351 V CB 2.014 33.501 31.823 -0.560 0.000 0.995 351 V HN 0.685 nan 8.190 nan 0.000 0.429 352 M N 5.624 125.088 119.600 -0.227 0.000 2.243 352 M HA 0.606 5.089 4.480 0.005 0.000 0.324 352 M C -1.386 174.877 176.300 -0.062 0.000 1.031 352 M CA -0.345 54.899 55.300 -0.093 0.000 0.949 352 M CB 1.831 34.382 32.600 -0.081 0.000 1.615 352 M HN 0.410 nan 8.290 nan 0.000 0.430 353 L N 3.458 124.701 121.223 0.033 0.000 2.386 353 L HA 0.554 4.897 4.340 0.005 0.000 0.271 353 L C -1.482 175.494 176.870 0.176 0.000 0.993 353 L CA -0.876 53.979 54.840 0.025 0.000 0.819 353 L CB 2.089 44.077 42.059 -0.117 0.000 1.294 353 L HN 0.524 nan 8.230 nan 0.000 0.414 354 Y N 4.456 124.759 120.300 0.006 0.000 2.346 354 Y HA 0.788 5.341 4.550 0.005 0.000 0.332 354 Y C -0.980 174.858 175.900 -0.102 0.000 0.985 354 Y CA -1.074 56.993 58.100 -0.054 0.000 1.112 354 Y CB 1.228 39.559 38.460 -0.215 0.000 1.170 354 Y HN 0.401 nan 8.280 nan 0.000 0.447 355 I N 2.654 122.826 120.570 -0.663 0.000 3.066 355 I HA 0.428 4.601 4.170 0.005 0.000 0.307 355 I C 0.780 176.513 176.117 -0.641 0.000 1.366 355 I CA -0.943 59.996 61.300 -0.602 0.000 0.972 355 I CB 2.004 39.682 38.000 -0.536 0.000 1.307 355 I HN 0.611 nan 8.210 nan 0.000 0.470 356 G N 0.862 109.378 108.800 -0.474 0.000 2.402 356 G HA2 0.175 4.138 3.960 0.005 0.000 0.216 356 G HA3 0.175 4.138 3.960 0.005 0.000 0.216 356 G C 0.976 175.261 174.900 -1.024 0.000 1.162 356 G CA 1.323 45.901 45.100 -0.869 0.000 0.777 356 G HN 0.908 nan 8.290 nan 0.000 0.539 357 G N -0.864 107.707 108.800 -0.382 0.000 2.371 357 G HA2 0.208 4.171 3.960 0.005 0.000 0.205 357 G HA3 0.208 4.171 3.960 0.005 0.000 0.205 357 G C 1.220 176.194 174.900 0.123 0.000 1.486 357 G CA 0.738 45.792 45.100 -0.076 0.000 0.553 357 G HN 0.305 nan 8.290 nan 0.000 1.124 358 L N 0.524 121.779 121.223 0.054 0.000 2.388 358 L HA 0.524 4.867 4.340 0.005 0.000 0.209 358 L C 2.442 179.282 176.870 -0.051 0.000 1.061 358 L CA 1.071 55.898 54.840 -0.021 0.000 0.834 358 L CB -0.301 41.723 42.059 -0.058 0.000 1.029 358 L HN 0.038 nan 8.230 nan 0.000 0.473 359 R N 0.008 120.477 120.500 -0.051 0.000 2.148 359 R HA -0.042 4.301 4.340 0.005 0.000 0.227 359 R C -0.601 175.579 176.300 -0.200 0.000 1.103 359 R CA 1.347 57.392 56.100 -0.091 0.000 0.983 359 R CB -1.390 28.861 30.300 -0.081 0.000 0.874 359 R HN 0.385 nan 8.270 nan 0.000 0.451 360 P HA -0.204 nan 4.420 nan 0.000 0.215 360 P C 0.850 177.961 177.300 -0.315 0.000 1.153 360 P CA 1.497 64.296 63.100 -0.501 0.000 0.853 360 P CB -0.028 31.030 31.700 -1.070 0.000 0.788 361 R N -1.732 118.647 120.500 -0.201 0.000 2.073 361 R HA -0.113 4.230 4.340 0.005 0.000 0.229 361 R C 2.014 178.341 176.300 0.046 0.000 1.120 361 R CA 1.385 57.475 56.100 -0.017 0.000 0.967 361 R CB -1.579 28.789 30.300 0.113 0.000 0.862 361 R HN 0.166 nan 8.270 nan 0.000 0.436 362 H N 1.079 120.083 119.070 -0.110 0.000 2.353 362 H HA -0.049 4.510 4.556 0.005 0.000 0.300 362 H C 1.963 177.129 175.328 -0.271 0.000 1.090 362 H CA 1.882 57.861 56.048 -0.115 0.000 1.327 362 H CB -0.079 29.686 29.762 0.005 0.000 1.383 362 H HN 0.234 nan 8.280 nan 0.000 0.508 363 V N -1.042 118.665 119.914 -0.346 0.000 3.510 363 V HA -0.011 4.112 4.120 0.005 0.000 0.270 363 V C 1.953 177.997 176.094 -0.084 0.000 1.201 363 V CA 0.685 62.711 62.300 -0.457 0.000 1.166 363 V CB -1.092 30.486 31.823 -0.408 0.000 0.825 363 V HN 0.302 nan 8.190 nan 0.000 0.484 364 I N 1.960 122.508 120.570 -0.038 0.000 2.252 364 I HA -0.055 4.118 4.170 0.005 0.000 0.245 364 I C 2.771 178.901 176.117 0.021 0.000 1.102 364 I CA 1.704 63.025 61.300 0.036 0.000 1.385 364 I CB -0.934 37.053 38.000 -0.022 0.000 1.064 364 I HN 0.443 nan 8.210 nan 0.000 0.414 365 G N 0.665 109.426 108.800 -0.065 0.000 2.440 365 G HA2 -0.266 3.697 3.960 0.005 0.000 0.218 365 G HA3 -0.266 3.697 3.960 0.005 0.000 0.218 365 G C 1.873 176.717 174.900 -0.094 0.000 1.154 365 G CA 0.902 45.948 45.100 -0.090 0.000 0.767 365 G HN 0.492 nan 8.290 nan 0.000 0.552 366 A N -0.030 122.691 122.820 -0.164 0.000 1.902 366 A HA 0.005 4.328 4.320 0.005 0.000 0.217 366 A C 2.244 179.841 177.584 0.022 0.000 1.181 366 A CA 1.589 53.500 52.037 -0.210 0.000 0.623 366 A CB -0.643 17.920 19.000 -0.728 0.000 0.818 366 A HN 0.387 nan 8.150 nan 0.000 0.443 367 Y N 0.228 120.581 120.300 0.087 0.000 2.181 367 Y HA -0.157 4.396 4.550 0.005 0.000 0.288 367 Y C 2.488 178.452 175.900 0.108 0.000 1.146 367 Y CA 1.815 60.023 58.100 0.179 0.000 1.164 367 Y CB -0.300 38.214 38.460 0.091 0.000 0.982 367 Y HN 0.438 nan 8.280 nan 0.000 0.515 368 E N -0.460 119.857 120.200 0.195 0.000 2.204 368 E HA -0.186 4.167 4.350 0.005 0.000 0.194 368 E C 1.371 178.029 176.600 0.097 0.000 0.989 368 E CA 1.049 57.515 56.400 0.110 0.000 0.824 368 E CB -0.098 29.631 29.700 0.048 0.000 0.756 368 E HN 0.438 nan 8.360 nan 0.000 0.477 369 D N 0.381 120.835 120.400 0.090 0.000 2.264 369 D HA -0.068 4.575 4.640 0.005 0.000 0.208 369 D C 1.442 177.873 176.300 0.219 0.000 0.966 369 D CA 0.718 54.763 54.000 0.073 0.000 0.864 369 D CB 0.182 40.933 40.800 -0.082 0.000 0.933 369 D HN 0.166 nan 8.370 nan 0.000 0.499 370 L N -1.023 120.356 121.223 0.262 0.000 2.607 370 L HA 0.208 4.551 4.340 0.005 0.000 0.228 370 L C 1.360 178.333 176.870 0.171 0.000 1.123 370 L CA 0.235 55.225 54.840 0.250 0.000 0.890 370 L CB 0.350 42.542 42.059 0.223 0.000 1.103 370 L HN 0.109 nan 8.230 nan 0.000 0.468 371 G N 0.108 108.995 108.800 0.144 0.000 2.179 371 G HA2 -0.304 3.659 3.960 0.005 0.000 0.260 371 G HA3 -0.304 3.659 3.960 0.005 0.000 0.260 371 G C 0.321 175.274 174.900 0.088 0.000 0.977 371 G CA 0.002 45.163 45.100 0.102 0.000 0.641 371 G HN 0.252 nan 8.290 nan 0.000 0.533 372 M N 0.472 120.147 119.600 0.124 0.000 2.250 372 M HA 0.455 4.939 4.480 0.005 0.000 0.344 372 M C 0.378 176.715 176.300 0.063 0.000 1.150 372 M CA -0.076 55.284 55.300 0.100 0.000 1.147 372 M CB 1.208 33.920 32.600 0.186 0.000 1.498 372 M HN 0.301 nan 8.290 nan 0.000 0.461 373 E N 1.879 122.078 120.200 -0.002 0.000 2.158 373 E HA 0.388 4.741 4.350 0.005 0.000 0.271 373 E C -1.605 174.943 176.600 -0.086 0.000 0.911 373 E CA -0.666 55.718 56.400 -0.028 0.000 0.767 373 E CB 1.482 31.166 29.700 -0.027 0.000 1.120 373 E HN 0.462 nan 8.360 nan 0.000 0.405 374 V N 6.779 126.637 119.914 -0.093 0.000 2.353 374 V HA 0.015 4.138 4.120 0.005 0.000 0.264 374 V C 1.377 177.411 176.094 -0.100 0.000 1.049 374 V CA -0.073 62.138 62.300 -0.148 0.000 0.896 374 V CB 0.670 32.396 31.823 -0.162 0.000 1.025 374 V HN 0.766 nan 8.190 nan 0.000 0.475 375 V N 3.294 123.149 119.914 -0.098 0.000 2.358 375 V HA 0.247 4.370 4.120 0.005 0.000 0.246 375 V C 0.929 176.996 176.094 -0.045 0.000 1.047 375 V CA 1.585 63.844 62.300 -0.068 0.000 1.035 375 V CB -0.695 31.085 31.823 -0.071 0.000 0.658 375 V HN 0.775 nan 8.190 nan 0.000 0.452 376 G N -1.992 106.793 108.800 -0.024 0.000 2.660 376 G HA2 0.585 4.548 3.960 0.005 0.000 0.294 376 G HA3 0.585 4.548 3.960 0.005 0.000 0.294 376 G C -1.247 173.665 174.900 0.020 0.000 1.369 376 G CA 0.165 45.294 45.100 0.049 0.000 0.912 376 G HN 0.385 nan 8.290 nan 0.000 0.479 377 T N -1.496 112.964 114.554 -0.157 0.000 2.840 377 T HA 0.790 5.143 4.350 0.005 0.000 0.317 377 T C -0.230 173.949 174.700 -0.867 0.000 1.401 377 T CA 0.441 62.340 62.100 -0.334 0.000 1.028 377 T CB 1.614 70.312 68.868 -0.284 0.000 1.317 377 T HN 1.704 nan 8.240 nan 0.000 0.495 378 G N 0.919 109.288 108.800 -0.718 0.000 2.663 378 G HA2 0.677 4.640 3.960 0.005 0.000 0.299 378 G HA3 0.677 4.640 3.960 0.005 0.000 0.299 378 G C -2.437 172.298 174.900 -0.276 0.000 1.372 378 G CA -0.540 44.239 45.100 -0.533 0.000 0.781 378 G HN 0.619 nan 8.290 nan 0.000 0.491 379 Y N -0.454 119.905 120.300 0.098 0.000 2.457 379 Y HA 0.405 4.959 4.550 0.005 0.000 0.343 379 Y C 1.242 177.072 175.900 -0.116 0.000 0.994 379 Y CA -0.676 57.324 58.100 -0.167 0.000 1.031 379 Y CB 2.795 41.123 38.460 -0.221 0.000 1.246 379 Y HN 0.677 nan 8.280 nan 0.000 0.449 380 E N 1.828 121.810 120.200 -0.363 0.000 2.047 380 E HA -0.131 4.222 4.350 0.005 0.000 0.191 380 E C 0.070 176.707 176.600 0.062 0.000 0.987 380 E CA 1.644 57.933 56.400 -0.184 0.000 0.799 380 E CB 0.058 29.586 29.700 -0.287 0.000 0.752 380 E HN 0.621 nan 8.360 nan 0.000 0.449 381 F N -2.258 117.792 119.950 0.167 0.000 2.802 381 F HA 0.557 5.087 4.527 0.004 0.000 0.346 381 F C -0.222 175.695 175.800 0.194 0.000 1.229 381 F CA -1.070 57.034 58.000 0.173 0.000 1.142 381 F CB -0.334 38.733 39.000 0.112 0.000 1.146 381 F HN -0.221 nan 8.300 nan 0.000 0.510 382 A N 1.022 123.908 122.820 0.110 0.000 2.425 382 A HA 0.359 4.682 4.320 0.005 0.000 0.249 382 A C 0.115 177.860 177.584 0.267 0.000 1.084 382 A CA -0.127 51.886 52.037 -0.040 0.000 0.781 382 A CB -0.100 18.323 19.000 -0.962 0.000 1.019 382 A HN 0.661 nan 8.150 nan 0.000 0.490 383 H N 1.066 120.169 119.070 0.054 0.000 2.581 383 H HA 0.057 4.616 4.556 0.005 0.000 0.369 383 H C 0.656 176.080 175.328 0.161 0.000 1.351 383 H CA -0.170 55.961 56.048 0.138 0.000 1.434 383 H CB 0.619 30.466 29.762 0.143 0.000 1.558 383 H HN 0.844 nan 8.280 nan 0.000 0.608 384 N N 0.372 119.260 118.700 0.314 0.000 2.309 384 N HA -0.160 4.583 4.740 0.005 0.000 0.182 384 N C 1.102 176.721 175.510 0.182 0.000 1.018 384 N CA 1.196 54.405 53.050 0.266 0.000 0.876 384 N CB -0.016 38.562 38.487 0.151 0.000 0.972 384 N HN 0.594 nan 8.380 nan 0.000 0.434 385 D N 0.213 120.709 120.400 0.160 0.000 2.219 385 D HA -0.145 4.498 4.640 0.005 0.000 0.205 385 D C 0.925 177.210 176.300 -0.024 0.000 0.970 385 D CA 1.002 55.051 54.000 0.080 0.000 0.851 385 D CB -0.361 40.522 40.800 0.137 0.000 0.943 385 D HN 0.190 nan 8.370 nan 0.000 0.488 386 D N -0.188 120.178 120.400 -0.056 0.000 2.117 386 D HA -0.142 4.501 4.640 0.005 0.000 0.198 386 D C 1.769 177.867 176.300 -0.336 0.000 0.982 386 D CA 0.882 54.717 54.000 -0.276 0.000 0.828 386 D CB -0.358 40.113 40.800 -0.549 0.000 0.967 386 D HN 0.280 nan 8.370 nan 0.000 0.464 387 Y N 1.753 121.969 120.300 -0.139 0.000 2.352 387 Y HA -0.113 4.440 4.550 0.005 0.000 0.292 387 Y C 2.107 177.995 175.900 -0.019 0.000 1.136 387 Y CA 0.751 58.818 58.100 -0.055 0.000 1.227 387 Y CB -0.085 38.358 38.460 -0.029 0.000 0.991 387 Y HN -0.080 nan 8.280 nan 0.000 0.545 388 D N -0.303 120.147 120.400 0.083 0.000 2.117 388 D HA -0.121 4.522 4.640 0.005 0.000 0.198 388 D C 2.097 178.400 176.300 0.004 0.000 0.982 388 D CA 1.124 55.148 54.000 0.041 0.000 0.828 388 D CB -0.218 40.590 40.800 0.013 0.000 0.967 388 D HN 0.343 nan 8.370 nan 0.000 0.464 389 R N 0.194 120.671 120.500 -0.039 0.000 2.115 389 R HA -0.025 4.318 4.340 0.005 0.000 0.230 389 R C 2.255 178.552 176.300 -0.005 0.000 1.111 389 R CA 1.089 57.159 56.100 -0.049 0.000 0.976 389 R CB -0.290 29.951 30.300 -0.099 0.000 0.870 389 R HN 0.120 nan 8.270 nan 0.000 0.445 390 T N 1.320 115.887 114.554 0.022 0.000 2.777 390 T HA -0.091 4.262 4.350 0.005 0.000 0.266 390 T C 1.854 176.587 174.700 0.055 0.000 1.040 390 T CA 1.228 63.367 62.100 0.065 0.000 1.141 390 T CB -0.063 68.888 68.868 0.139 0.000 0.868 390 T HN 0.180 nan 8.240 nan 0.000 0.444 391 M N 0.911 120.549 119.600 0.065 0.000 2.213 391 M HA -0.085 4.398 4.480 0.005 0.000 0.263 391 M C 2.154 178.463 176.300 0.016 0.000 1.062 391 M CA 1.501 56.827 55.300 0.043 0.000 1.105 391 M CB -0.488 32.141 32.600 0.048 0.000 1.385 391 M HN 0.224 nan 8.290 nan 0.000 0.417 392 K N 0.031 120.435 120.400 0.007 0.000 2.057 392 K HA -0.105 4.218 4.320 0.005 0.000 0.206 392 K C 1.910 178.504 176.600 -0.010 0.000 1.050 392 K CA 0.955 57.239 56.287 -0.006 0.000 0.935 392 K CB -0.182 32.310 32.500 -0.013 0.000 0.715 392 K HN 0.235 nan 8.250 nan 0.000 0.439 393 E N 0.512 120.706 120.200 -0.010 0.000 2.072 393 E HA -0.051 4.302 4.350 0.005 0.000 0.191 393 E C 0.851 177.439 176.600 -0.019 0.000 0.985 393 E CA 0.732 57.121 56.400 -0.018 0.000 0.801 393 E CB -0.058 29.631 29.700 -0.017 0.000 0.750 393 E HN 0.195 nan 8.360 nan 0.000 0.452 394 M N 0.780 120.372 119.600 -0.014 0.000 2.248 394 M HA 0.164 4.647 4.480 0.005 0.000 0.337 394 M C 0.959 177.248 176.300 -0.018 0.000 1.121 394 M CA 0.007 55.294 55.300 -0.021 0.000 1.155 394 M CB 0.309 32.900 32.600 -0.016 0.000 1.514 394 M HN -0.069 nan 8.290 nan 0.000 0.452 395 G N 1.331 110.117 108.800 -0.023 0.000 2.621 395 G HA2 0.186 4.149 3.960 0.005 0.000 0.271 395 G HA3 0.186 4.149 3.960 0.005 0.000 0.271 395 G C -0.785 174.105 174.900 -0.017 0.000 1.236 395 G CA -0.502 44.586 45.100 -0.020 0.000 0.958 395 G HN 0.736 nan 8.290 nan 0.000 0.512 396 D N -1.548 118.843 120.400 -0.015 0.000 2.382 396 D HA 0.303 4.946 4.640 0.005 0.000 0.245 396 D C 0.904 177.193 176.300 -0.018 0.000 1.120 396 D CA 0.713 54.704 54.000 -0.014 0.000 0.890 396 D CB 0.520 41.313 40.800 -0.012 0.000 1.201 396 D HN 0.302 nan 8.370 nan 0.000 0.433 397 S N 0.520 116.210 115.700 -0.017 0.000 3.445 397 S HA -0.193 4.280 4.470 0.005 0.000 0.319 397 S C 0.246 174.829 174.600 -0.030 0.000 1.209 397 S CA 0.960 59.147 58.200 -0.022 0.000 0.934 397 S CB -2.202 60.986 63.200 -0.020 0.000 0.999 397 S HN 0.790 nan 8.310 nan 0.000 0.582 398 T N 0.047 114.583 114.554 -0.029 0.000 2.909 398 T HA 0.635 4.989 4.350 0.005 0.000 0.289 398 T C 0.039 174.717 174.700 -0.036 0.000 1.005 398 T CA -0.911 61.167 62.100 -0.035 0.000 1.084 398 T CB 1.357 70.204 68.868 -0.035 0.000 0.975 398 T HN 0.209 nan 8.240 nan 0.000 0.509 399 L N 2.932 124.131 121.223 -0.039 0.000 2.367 399 L HA 0.465 4.808 4.340 0.005 0.000 0.275 399 L C -0.807 176.068 176.870 0.009 0.000 1.129 399 L CA -0.249 54.571 54.840 -0.034 0.000 0.839 399 L CB -0.159 41.838 42.059 -0.104 0.000 1.133 399 L HN 0.640 nan 8.230 nan 0.000 0.453 400 L N 6.863 128.087 121.223 0.002 0.000 2.356 400 L HA 0.471 4.814 4.340 0.005 0.000 0.277 400 L C -1.369 175.528 176.870 0.046 0.000 0.996 400 L CA -0.883 53.903 54.840 -0.090 0.000 0.822 400 L CB 1.520 43.583 42.059 0.007 0.000 1.256 400 L HN 0.637 nan 8.230 nan 0.000 0.413 401 Y N -0.306 120.104 120.300 0.184 0.000 2.406 401 Y HA 0.621 5.174 4.550 0.005 0.000 0.340 401 Y C -0.950 175.146 175.900 0.327 0.000 0.975 401 Y CA -1.567 56.666 58.100 0.222 0.000 1.056 401 Y CB 1.389 39.984 38.460 0.224 0.000 1.210 401 Y HN 0.455 nan 8.280 nan 0.000 0.448 402 D N 2.728 123.376 120.400 0.414 0.000 2.344 402 D HA 0.245 4.888 4.640 0.005 0.000 0.239 402 D C -0.480 176.030 176.300 0.349 0.000 1.064 402 D CA 0.044 54.319 54.000 0.458 0.000 0.829 402 D CB 0.866 41.896 40.800 0.383 0.000 1.129 402 D HN 0.737 nan 8.370 nan 0.000 0.506 403 D N 3.090 123.724 120.400 0.390 0.000 2.705 403 D HA -0.192 4.451 4.640 0.005 0.000 0.240 403 D C -0.801 175.588 176.300 0.149 0.000 1.137 403 D CA 0.245 54.402 54.000 0.262 0.000 0.677 403 D CB -0.781 40.059 40.800 0.067 0.000 1.049 403 D HN 0.225 nan 8.370 nan 0.000 0.427 404 V N 1.560 121.520 119.914 0.077 0.000 2.740 404 V HA 0.340 4.463 4.120 0.005 0.000 0.303 404 V C 1.345 177.360 176.094 -0.131 0.000 1.054 404 V CA 0.815 63.038 62.300 -0.128 0.000 1.106 404 V CB 1.233 32.758 31.823 -0.496 0.000 0.957 404 V HN 0.486 nan 8.190 nan 0.000 0.486 405 T N 3.635 118.172 114.554 -0.028 0.000 2.849 405 T HA 0.419 4.772 4.350 0.005 0.000 0.284 405 T C 1.324 176.050 174.700 0.044 0.000 1.004 405 T CA -0.011 62.123 62.100 0.058 0.000 1.021 405 T CB 1.314 70.293 68.868 0.185 0.000 1.013 405 T HN 0.918 nan 8.240 nan 0.000 0.527 406 G N -0.262 108.602 108.800 0.106 0.000 2.402 406 G HA2 -0.193 3.770 3.960 0.005 0.000 0.216 406 G HA3 -0.193 3.770 3.960 0.005 0.000 0.216 406 G C 1.190 176.151 174.900 0.101 0.000 1.162 406 G CA 0.897 46.073 45.100 0.128 0.000 0.777 406 G HN 0.898 nan 8.290 nan 0.000 0.539 407 Y N 1.350 121.654 120.300 0.005 0.000 2.181 407 Y HA -0.072 4.481 4.550 0.005 0.000 0.288 407 Y C 2.631 178.443 175.900 -0.145 0.000 1.146 407 Y CA 2.208 60.272 58.100 -0.059 0.000 1.164 407 Y CB -0.238 38.184 38.460 -0.063 0.000 0.982 407 Y HN 0.339 nan 8.280 nan 0.000 0.515 408 E N -0.542 119.423 120.200 -0.392 0.000 2.077 408 E HA -0.198 4.155 4.350 0.005 0.000 0.193 408 E C 1.945 178.058 176.600 -0.812 0.000 0.989 408 E CA 1.316 57.259 56.400 -0.761 0.000 0.800 408 E CB -0.418 29.009 29.700 -0.454 0.000 0.746 408 E HN 0.482 nan 8.360 nan 0.000 0.452 409 F N 1.945 121.574 119.950 -0.534 0.000 2.134 409 F HA -0.157 4.373 4.527 0.004 0.000 0.299 409 F C 2.220 177.940 175.800 -0.134 0.000 1.097 409 F CA 1.561 59.368 58.000 -0.321 0.000 1.264 409 F CB -0.262 38.648 39.000 -0.150 0.000 1.001 409 F HN -0.019 nan 8.300 nan 0.000 0.479 410 E N -0.283 119.868 120.200 -0.082 0.000 2.072 410 E HA -0.198 4.155 4.350 0.005 0.000 0.191 410 E C 2.033 178.528 176.600 -0.175 0.000 0.985 410 E CA 1.249 57.588 56.400 -0.102 0.000 0.801 410 E CB 0.005 29.627 29.700 -0.131 0.000 0.750 410 E HN 0.274 nan 8.360 nan 0.000 0.452 411 E N 0.163 120.151 120.200 -0.355 0.000 2.072 411 E HA -0.156 4.197 4.350 0.005 0.000 0.191 411 E C 1.911 178.445 176.600 -0.110 0.000 0.985 411 E CA 0.723 56.934 56.400 -0.315 0.000 0.801 411 E CB -0.398 28.954 29.700 -0.580 0.000 0.750 411 E HN 0.308 nan 8.360 nan 0.000 0.452 412 F N 0.629 120.462 119.950 -0.195 0.000 2.134 412 F HA -0.142 4.387 4.527 0.005 0.000 0.299 412 F C 2.513 178.211 175.800 -0.170 0.000 1.097 412 F CA 0.455 58.361 58.000 -0.157 0.000 1.264 412 F CB -1.168 37.732 39.000 -0.167 0.000 1.001 412 F HN -0.136 nan 8.300 nan 0.000 0.479 413 V N -0.001 119.887 119.914 -0.043 0.000 2.427 413 V HA -0.259 3.864 4.120 0.005 0.000 0.248 413 V C 2.256 178.294 176.094 -0.092 0.000 1.051 413 V CA 1.608 63.806 62.300 -0.169 0.000 1.048 413 V CB -0.572 31.041 31.823 -0.351 0.000 0.666 413 V HN 0.286 nan 8.190 nan 0.000 0.456 414 K N -0.050 120.319 120.400 -0.052 0.000 2.057 414 K HA -0.196 4.127 4.320 0.005 0.000 0.206 414 K C 2.372 178.954 176.600 -0.031 0.000 1.050 414 K CA 1.459 57.724 56.287 -0.037 0.000 0.935 414 K CB -0.216 32.263 32.500 -0.036 0.000 0.715 414 K HN 0.192 nan 8.250 nan 0.000 0.439 415 R N 1.699 122.191 120.500 -0.014 0.000 2.066 415 R HA -0.014 4.329 4.340 0.005 0.000 0.232 415 R C 1.965 178.250 176.300 -0.024 0.000 1.131 415 R CA 1.337 57.433 56.100 -0.007 0.000 0.955 415 R CB -0.487 29.827 30.300 0.022 0.000 0.851 415 R HN 0.141 nan 8.270 nan 0.000 0.432 416 I N 0.719 121.269 120.570 -0.034 0.000 2.252 416 I HA -0.163 4.010 4.170 0.005 0.000 0.245 416 I C 0.386 176.461 176.117 -0.070 0.000 1.102 416 I CA 1.046 62.312 61.300 -0.056 0.000 1.385 416 I CB -0.210 37.749 38.000 -0.068 0.000 1.064 416 I HN 0.197 nan 8.210 nan 0.000 0.414 417 K N 0.174 120.524 120.400 -0.084 0.000 3.239 417 K HA -0.131 4.192 4.320 0.005 0.000 0.270 417 K C -2.231 174.299 176.600 -0.116 0.000 1.049 417 K CA -0.202 56.028 56.287 -0.094 0.000 0.769 417 K CB -1.650 30.810 32.500 -0.066 0.000 1.305 417 K HN 0.341 nan 8.250 nan 0.000 0.469 418 P HA 0.002 nan 4.420 nan 0.000 0.271 418 P C 0.085 177.273 177.300 -0.188 0.000 1.218 418 P CA -0.027 62.971 63.100 -0.169 0.000 0.780 418 P CB 0.722 32.297 31.700 -0.209 0.000 0.901 419 D N 1.000 121.297 120.400 -0.171 0.000 2.117 419 D HA -0.032 4.611 4.640 0.005 0.000 0.198 419 D C 0.810 176.965 176.300 -0.241 0.000 0.982 419 D CA 1.324 55.215 54.000 -0.181 0.000 0.828 419 D CB 0.251 40.971 40.800 -0.133 0.000 0.967 419 D HN 0.311 nan 8.370 nan 0.000 0.464 420 L N -0.065 121.014 121.223 -0.239 0.000 2.409 420 L HA 0.481 4.824 4.340 0.005 0.000 0.262 420 L C -1.654 175.028 176.870 -0.313 0.000 0.992 420 L CA -0.689 53.991 54.840 -0.267 0.000 0.817 420 L CB 2.466 44.406 42.059 -0.199 0.000 1.350 420 L HN -0.255 nan 8.230 nan 0.000 0.411 421 I N 3.202 123.547 120.570 -0.375 0.000 2.436 421 I HA 0.478 4.651 4.170 0.005 0.000 0.289 421 I C 0.174 175.910 176.117 -0.635 0.000 1.010 421 I CA -0.571 60.444 61.300 -0.475 0.000 1.098 421 I CB 1.953 39.587 38.000 -0.610 0.000 1.266 421 I HN 0.721 nan 8.210 nan 0.000 0.434 422 G N 3.422 111.964 108.800 -0.429 0.000 2.370 422 G HA2 0.637 4.600 3.960 0.005 0.000 0.317 422 G HA3 0.637 4.600 3.960 0.005 0.000 0.317 422 G C -0.787 173.947 174.900 -0.277 0.000 1.162 422 G CA -0.150 44.725 45.100 -0.374 0.000 0.922 422 G HN 0.543 nan 8.290 nan 0.000 0.454 423 S N 0.186 115.697 115.700 -0.315 0.000 2.724 423 S HA 0.784 5.257 4.470 0.005 0.000 0.278 423 S C 0.537 175.424 174.600 0.478 0.000 1.190 423 S CA 0.066 58.370 58.200 0.173 0.000 0.860 423 S CB 0.669 64.170 63.200 0.501 0.000 1.206 423 S HN 1.072 nan 8.310 nan 0.000 0.507 424 G N 0.617 109.777 108.800 0.599 0.000 2.535 424 G HA2 0.444 4.407 3.960 0.005 0.000 0.282 424 G HA3 0.444 4.407 3.960 0.005 0.000 0.282 424 G C 0.799 175.926 174.900 0.380 0.000 1.350 424 G CA -0.118 45.325 45.100 0.573 0.000 1.039 424 G HN 0.588 nan 8.290 nan 0.000 0.509 425 I N -0.541 120.143 120.570 0.189 0.000 2.252 425 I HA -0.025 4.148 4.170 0.005 0.000 0.245 425 I C 2.645 178.821 176.117 0.098 0.000 1.102 425 I CA 1.538 62.899 61.300 0.102 0.000 1.385 425 I CB -0.164 37.925 38.000 0.148 0.000 1.064 425 I HN 0.516 nan 8.210 nan 0.000 0.414 426 K N 0.189 120.670 120.400 0.135 0.000 2.057 426 K HA -0.195 4.128 4.320 0.005 0.000 0.207 426 K C 1.866 178.541 176.600 0.126 0.000 1.049 426 K CA 1.836 58.206 56.287 0.139 0.000 0.931 426 K CB -0.189 32.391 32.500 0.133 0.000 0.714 426 K HN 0.320 nan 8.250 nan 0.000 0.440 427 E N 1.049 121.376 120.200 0.211 0.000 2.204 427 E HA -0.157 4.196 4.350 0.005 0.000 0.194 427 E C 1.700 178.285 176.600 -0.025 0.000 0.989 427 E CA 0.895 57.474 56.400 0.299 0.000 0.824 427 E CB -0.040 30.135 29.700 0.791 0.000 0.756 427 E HN 0.231 nan 8.360 nan 0.000 0.477 428 K N 0.383 120.409 120.400 -0.622 0.000 2.057 428 K HA -0.156 4.167 4.320 0.005 0.000 0.207 428 K C 1.417 177.447 176.600 -0.949 0.000 1.049 428 K CA 1.279 56.563 56.287 -1.670 0.000 0.931 428 K CB -0.202 31.255 32.500 -1.739 0.000 0.714 428 K HN 0.089 nan 8.250 nan 0.000 0.440 429 F N 1.208 120.995 119.950 -0.273 0.000 2.293 429 F HA -0.039 4.491 4.527 0.004 0.000 0.300 429 F C 2.018 177.734 175.800 -0.139 0.000 1.086 429 F CA 0.718 58.634 58.000 -0.140 0.000 1.375 429 F CB -0.249 38.701 39.000 -0.084 0.000 1.045 429 F HN -0.015 nan 8.300 nan 0.000 0.516 430 I N -1.275 119.210 120.570 -0.142 0.000 2.202 430 I HA -0.283 3.890 4.170 0.005 0.000 0.242 430 I C 2.060 177.986 176.117 -0.319 0.000 1.091 430 I CA 1.193 62.321 61.300 -0.286 0.000 1.368 430 I CB -0.484 37.177 38.000 -0.565 0.000 1.058 430 I HN -0.042 nan 8.210 nan 0.000 0.410 431 F N 0.946 120.888 119.950 -0.013 0.000 2.234 431 F HA -0.162 4.367 4.527 0.004 0.000 0.299 431 F C 2.625 178.457 175.800 0.054 0.000 1.087 431 F CA 1.101 59.111 58.000 0.016 0.000 1.340 431 F CB -0.887 38.185 39.000 0.119 0.000 1.031 431 F HN 0.105 nan 8.300 nan 0.000 0.500 432 Q N 0.142 120.076 119.800 0.224 0.000 2.119 432 Q HA -0.184 4.159 4.340 0.005 0.000 0.201 432 Q C 2.099 178.285 176.000 0.310 0.000 0.972 432 Q CA 1.239 57.256 55.803 0.357 0.000 0.847 432 Q CB -0.271 28.680 28.738 0.356 0.000 0.903 432 Q HN 0.393 nan 8.270 nan 0.000 0.433 433 K N 0.603 121.112 120.400 0.181 0.000 2.057 433 K HA -0.062 4.261 4.320 0.005 0.000 0.207 433 K C 1.850 178.522 176.600 0.119 0.000 1.049 433 K CA 1.187 57.551 56.287 0.129 0.000 0.931 433 K CB -0.004 32.535 32.500 0.066 0.000 0.714 433 K HN 0.139 nan 8.250 nan 0.000 0.440 434 M N -0.556 119.107 119.600 0.104 0.000 2.700 434 M HA -0.028 4.455 4.480 0.005 0.000 0.249 434 M C 0.872 177.238 176.300 0.110 0.000 1.082 434 M CA 1.029 56.384 55.300 0.091 0.000 1.077 434 M CB 0.279 32.941 32.600 0.104 0.000 1.477 434 M HN 0.520 nan 8.290 nan 0.000 0.529 435 G N 1.124 110.034 108.800 0.184 0.000 2.179 435 G HA2 -0.253 3.710 3.960 0.005 0.000 0.260 435 G HA3 -0.253 3.710 3.960 0.005 0.000 0.260 435 G C 0.123 174.978 174.900 -0.075 0.000 0.977 435 G CA -0.270 44.961 45.100 0.217 0.000 0.641 435 G HN 0.469 nan 8.290 nan 0.000 0.533 436 I N 1.850 122.323 120.570 -0.163 0.000 2.342 436 I HA 0.294 4.467 4.170 0.005 0.000 0.291 436 I C -2.012 173.714 176.117 -0.652 0.000 1.010 436 I CA -2.346 58.734 61.300 -0.366 0.000 1.308 436 I CB 1.522 39.418 38.000 -0.174 0.000 1.400 436 I HN -0.176 nan 8.210 nan 0.000 0.488 437 P HA 0.019 nan 4.420 nan 0.000 0.264 437 P C -1.030 176.129 177.300 -0.234 0.000 1.193 437 P CA 0.324 62.881 63.100 -0.905 0.000 0.763 437 P CB 0.274 31.501 31.700 -0.789 0.000 0.810 438 F N 4.434 124.324 119.950 -0.100 0.000 2.540 438 F HA 0.542 5.072 4.527 0.006 0.000 0.317 438 F C -0.306 175.536 175.800 0.069 0.000 1.104 438 F CA -0.758 57.242 58.000 -0.001 0.000 0.913 438 F CB 1.475 40.513 39.000 0.063 0.000 1.170 438 F HN 0.052 nan 8.300 nan 0.000 0.450 439 R N 3.956 124.427 120.500 -0.047 0.000 2.534 439 R HA 0.290 4.633 4.340 0.005 0.000 0.301 439 R C -1.033 175.329 176.300 0.103 0.000 0.961 439 R CA -0.812 55.366 56.100 0.129 0.000 0.871 439 R CB 1.793 32.138 30.300 0.075 0.000 1.170 439 R HN 0.748 nan 8.270 nan 0.000 0.446 440 E N 3.458 123.849 120.200 0.320 0.000 2.223 440 E HA 0.097 4.450 4.350 0.005 0.000 0.282 440 E C 0.788 177.524 176.600 0.227 0.000 1.046 440 E CA -0.322 56.275 56.400 0.328 0.000 0.857 440 E CB 0.920 30.750 29.700 0.217 0.000 1.055 440 E HN 0.206 nan 8.360 nan 0.000 0.409 441 M N 2.005 121.691 119.600 0.143 0.000 2.288 441 M HA -0.070 4.413 4.480 0.005 0.000 0.266 441 M C 1.657 177.740 176.300 -0.362 0.000 1.072 441 M CA 1.440 56.799 55.300 0.098 0.000 1.132 441 M CB -0.771 31.847 32.600 0.029 0.000 1.386 441 M HN 0.588 nan 8.290 nan 0.000 0.432 442 H N -0.475 118.440 119.070 -0.257 0.000 2.299 442 H HA 0.011 4.570 4.556 0.005 0.000 0.302 442 H C 1.997 176.932 175.328 -0.654 0.000 1.078 442 H CA 2.044 57.834 56.048 -0.430 0.000 1.323 442 H CB -0.250 29.391 29.762 -0.202 0.000 1.381 442 H HN 0.419 nan 8.280 nan 0.000 0.498 443 S N -1.031 114.488 115.700 -0.302 0.000 2.556 443 S HA -0.045 4.428 4.470 0.005 0.000 0.216 443 S C 0.174 174.591 174.600 -0.305 0.000 0.970 443 S CA -0.435 57.549 58.200 -0.360 0.000 0.912 443 S CB -0.739 62.282 63.200 -0.299 0.000 0.790 443 S HN 0.604 nan 8.310 nan 0.000 0.504 444 W N 1.783 122.936 121.300 -0.245 0.000 5.538 444 W HA -0.202 4.460 4.660 0.003 0.000 0.377 444 W C 0.036 176.375 176.519 -0.300 0.000 1.406 444 W CA 0.101 57.217 57.345 -0.381 0.000 0.940 444 W CB -2.299 26.678 29.460 -0.805 0.000 2.536 444 W HN 0.377 nan 8.180 nan 0.000 1.504 445 D N -0.405 119.909 120.400 -0.142 0.000 2.702 445 D HA -0.271 4.372 4.640 0.005 0.000 0.233 445 D C 0.288 176.384 176.300 -0.340 0.000 1.164 445 D CA 2.264 56.063 54.000 -0.336 0.000 0.638 445 D CB -1.042 39.779 40.800 0.036 0.000 1.041 445 D HN 0.608 nan 8.370 nan 0.000 0.422 446 Y N -2.976 117.400 120.300 0.125 0.000 4.177 446 Y HA -0.299 4.258 4.550 0.012 0.000 0.227 446 Y C 1.253 177.215 175.900 0.104 0.000 1.154 446 Y CA 1.031 59.197 58.100 0.111 0.000 1.887 446 Y CB -2.250 36.282 38.460 0.121 0.000 1.594 446 Y HN 0.198 nan 8.280 nan 0.000 0.668 447 S N -1.201 114.554 115.700 0.091 0.000 4.355 447 S HA 0.801 5.275 4.470 0.005 0.000 0.201 447 S C 1.089 175.676 174.600 -0.023 0.000 1.044 447 S CA 0.720 58.969 58.200 0.081 0.000 1.777 447 S CB 0.819 64.085 63.200 0.110 0.000 0.797 447 S HN 1.710 nan 8.310 nan 0.000 0.774 448 G N 1.548 110.263 108.800 -0.142 0.000 2.750 448 G HA2 -0.131 3.832 3.960 0.005 0.000 0.228 448 G HA3 -0.131 3.832 3.960 0.005 0.000 0.228 448 G C -2.915 171.968 174.900 -0.029 0.000 1.367 448 G CA -0.279 44.675 45.100 -0.243 0.000 0.871 448 G HN 0.655 nan 8.290 nan 0.000 0.560 449 P HA 0.320 nan 4.420 nan 0.000 0.274 449 P C -0.221 177.030 177.300 -0.082 0.000 1.231 449 P CA -0.097 62.924 63.100 -0.131 0.000 0.790 449 P CB 0.595 32.262 31.700 -0.055 0.000 0.951 450 Y N -1.062 118.935 120.300 -0.506 0.000 2.478 450 Y HA 0.140 4.693 4.550 0.005 0.000 0.261 450 Y C 1.431 177.201 175.900 -0.217 0.000 1.127 450 Y CA -0.390 57.439 58.100 -0.453 0.000 1.288 450 Y CB -0.942 36.974 38.460 -0.906 0.000 1.084 450 Y HN 0.430 nan 8.280 nan 0.000 0.530 451 H N -0.425 118.520 119.070 -0.208 0.000 2.629 451 H HA 0.412 4.972 4.556 0.006 0.000 0.357 451 H C 1.041 176.265 175.328 -0.175 0.000 1.121 451 H CA 0.183 56.047 56.048 -0.307 0.000 1.406 451 H CB 0.810 30.403 29.762 -0.282 0.000 1.456 451 H HN 0.352 nan 8.280 nan 0.000 0.579 452 G N 1.044 109.754 108.800 -0.151 0.000 2.741 452 G HA2 -0.321 3.642 3.960 0.005 0.000 0.222 452 G HA3 -0.321 3.642 3.960 0.005 0.000 0.222 452 G C 0.096 174.802 174.900 -0.324 0.000 1.364 452 G CA 0.047 44.908 45.100 -0.398 0.000 0.866 452 G HN 0.480 nan 8.290 nan 0.000 0.555 453 F N 0.088 119.893 119.950 -0.241 0.000 2.146 453 F HA 0.060 4.590 4.527 0.005 0.000 0.298 453 F C 2.642 178.453 175.800 0.019 0.000 1.096 453 F CA 1.851 59.770 58.000 -0.134 0.000 1.275 453 F CB -0.335 38.496 39.000 -0.281 0.000 1.008 453 F HN 0.456 nan 8.300 nan 0.000 0.480 454 D N -0.179 120.297 120.400 0.127 0.000 2.144 454 D HA -0.098 4.545 4.640 0.005 0.000 0.200 454 D C 2.497 178.878 176.300 0.135 0.000 0.978 454 D CA 1.438 55.518 54.000 0.132 0.000 0.833 454 D CB -0.566 40.290 40.800 0.093 0.000 0.961 454 D HN 0.362 nan 8.370 nan 0.000 0.470 455 G N 0.288 109.151 108.800 0.105 0.000 2.408 455 G HA2 -0.262 3.701 3.960 0.005 0.000 0.217 455 G HA3 -0.262 3.701 3.960 0.005 0.000 0.217 455 G C 1.438 176.410 174.900 0.120 0.000 1.150 455 G CA 0.047 45.208 45.100 0.101 0.000 0.776 455 G HN 0.210 nan 8.290 nan 0.000 0.542 456 F N 2.511 122.453 119.950 -0.013 0.000 2.216 456 F HA 0.046 4.577 4.527 0.006 0.000 0.300 456 F C 2.681 178.518 175.800 0.062 0.000 1.085 456 F CA 1.046 59.042 58.000 -0.007 0.000 1.326 456 F CB -0.146 38.850 39.000 -0.007 0.000 1.027 456 F HN 0.223 nan 8.300 nan 0.000 0.497 457 A N 0.647 123.484 122.820 0.028 0.000 1.898 457 A HA -0.126 4.197 4.320 0.005 0.000 0.216 457 A C 2.292 179.763 177.584 -0.189 0.000 1.181 457 A CA 1.850 53.851 52.037 -0.060 0.000 0.620 457 A CB -1.124 17.947 19.000 0.118 0.000 0.819 457 A HN 0.461 nan 8.150 nan 0.000 0.442 458 I N -1.743 118.781 120.570 -0.076 0.000 2.226 458 I HA -0.239 3.934 4.170 0.005 0.000 0.245 458 I C 2.382 178.372 176.117 -0.212 0.000 1.100 458 I CA 1.713 62.985 61.300 -0.046 0.000 1.374 458 I CB -0.404 37.663 38.000 0.113 0.000 1.057 458 I HN 0.458 nan 8.210 nan 0.000 0.413 459 F N 1.888 121.498 119.950 -0.567 0.000 2.134 459 F HA -0.206 4.324 4.527 0.005 0.000 0.299 459 F C 2.457 177.739 175.800 -0.863 0.000 1.097 459 F CA 1.482 58.844 58.000 -1.062 0.000 1.264 459 F CB -0.283 38.025 39.000 -1.152 0.000 1.001 459 F HN -0.014 nan 8.300 nan 0.000 0.479 460 A N 0.788 123.048 122.820 -0.934 0.000 1.898 460 A HA -0.161 4.162 4.320 0.005 0.000 0.216 460 A C 2.434 179.327 177.584 -1.151 0.000 1.181 460 A CA 1.511 52.942 52.037 -1.010 0.000 0.620 460 A CB -0.882 17.566 19.000 -0.919 0.000 0.819 460 A HN 0.460 nan 8.150 nan 0.000 0.442 461 R N -0.336 119.476 120.500 -1.147 0.000 2.081 461 R HA -0.179 4.164 4.340 0.005 0.000 0.235 461 R C 1.311 177.328 176.300 -0.472 0.000 1.131 461 R CA 1.965 57.512 56.100 -0.921 0.000 0.960 461 R CB -0.380 29.664 30.300 -0.426 0.000 0.856 461 R HN 0.440 nan 8.270 nan 0.000 0.436 462 D N 0.064 120.210 120.400 -0.423 0.000 2.117 462 D HA -0.150 4.493 4.640 0.005 0.000 0.198 462 D C 1.968 178.094 176.300 -0.290 0.000 0.982 462 D CA 1.115 54.966 54.000 -0.249 0.000 0.828 462 D CB -0.077 40.641 40.800 -0.136 0.000 0.967 462 D HN 0.182 nan 8.370 nan 0.000 0.464 463 M N 0.456 119.737 119.600 -0.532 0.000 2.117 463 M HA -0.121 4.362 4.480 0.005 0.000 0.262 463 M C 1.874 178.049 176.300 -0.209 0.000 1.065 463 M CA 1.207 56.265 55.300 -0.403 0.000 1.114 463 M CB -0.997 31.255 32.600 -0.580 0.000 1.361 463 M HN 0.018 nan 8.290 nan 0.000 0.408 464 D N 0.639 120.899 120.400 -0.233 0.000 2.117 464 D HA -0.195 4.448 4.640 0.005 0.000 0.197 464 D C 2.116 178.430 176.300 0.024 0.000 0.987 464 D CA 1.954 55.923 54.000 -0.052 0.000 0.829 464 D CB -0.127 40.716 40.800 0.071 0.000 0.961 464 D HN 0.472 nan 8.370 nan 0.000 0.460 465 M N -1.088 118.516 119.600 0.006 0.000 2.132 465 M HA -0.051 4.432 4.480 0.005 0.000 0.263 465 M C 2.004 178.377 176.300 0.122 0.000 1.065 465 M CA 1.787 57.128 55.300 0.069 0.000 1.122 465 M CB -0.709 31.925 32.600 0.057 0.000 1.365 465 M HN -0.195 nan 8.290 nan 0.000 0.411 466 T N 1.663 116.292 114.554 0.125 0.000 2.777 466 T HA -0.031 4.322 4.350 0.005 0.000 0.266 466 T C 1.839 176.731 174.700 0.320 0.000 1.040 466 T CA 1.627 63.878 62.100 0.252 0.000 1.141 466 T CB -0.333 68.660 68.868 0.208 0.000 0.868 466 T HN 0.429 nan 8.240 nan 0.000 0.444 467 L N 1.170 122.469 121.223 0.127 0.000 2.093 467 L HA 0.002 4.346 4.340 0.005 0.000 0.208 467 L C 1.485 178.440 176.870 0.142 0.000 1.085 467 L CA 1.344 56.214 54.840 0.049 0.000 0.755 467 L CB -0.120 41.927 42.059 -0.020 0.000 0.904 467 L HN 0.139 nan 8.230 nan 0.000 0.435 468 N N -0.105 118.698 118.700 0.171 0.000 2.235 468 N HA -0.002 4.741 4.740 0.005 0.000 0.209 468 N C -0.080 175.554 175.510 0.207 0.000 1.122 468 N CA 0.008 53.164 53.050 0.176 0.000 0.845 468 N CB -0.377 38.176 38.487 0.111 0.000 1.004 468 N HN 0.346 nan 8.380 nan 0.000 0.499 469 N N 2.704 121.573 118.700 0.281 0.000 2.454 469 N HA 0.015 4.758 4.740 0.005 0.000 0.254 469 N C -1.464 174.071 175.510 0.041 0.000 1.228 469 N CA -0.927 52.196 53.050 0.121 0.000 0.900 469 N CB 1.580 40.091 38.487 0.040 0.000 1.089 469 N HN -0.004 nan 8.380 nan 0.000 0.449 470 P HA -0.092 nan 4.420 nan 0.000 0.223 470 P C 1.556 178.790 177.300 -0.110 0.000 1.144 470 P CA 0.802 63.884 63.100 -0.031 0.000 0.783 470 P CB -0.273 31.413 31.700 -0.024 0.000 0.771 471 C N -3.423 115.704 119.300 -0.289 0.000 2.432 471 C HA 0.037 4.500 4.460 0.005 0.000 0.280 471 C C 2.463 177.225 174.990 -0.379 0.000 1.353 471 C CA -0.501 58.277 59.018 -0.401 0.000 1.766 471 C CB -2.407 24.977 27.740 -0.595 0.000 1.924 471 C HN 0.203 nan 8.230 nan 0.000 0.509 472 W N 1.580 122.894 121.300 0.024 0.000 2.425 472 W HA 0.044 4.709 4.660 0.009 0.000 0.277 472 W C 2.463 178.986 176.519 0.006 0.000 1.231 472 W CA 0.405 57.761 57.345 0.019 0.000 1.248 472 W CB -0.337 29.136 29.460 0.022 0.000 1.117 472 W HN 0.149 nan 8.180 nan 0.000 0.568 473 K N 0.795 121.292 120.400 0.162 0.000 2.097 473 K HA -0.087 4.236 4.320 0.005 0.000 0.205 473 K C 1.585 178.210 176.600 0.042 0.000 1.050 473 K CA 1.013 57.355 56.287 0.091 0.000 0.938 473 K CB -0.576 31.960 32.500 0.059 0.000 0.718 473 K HN 0.053 nan 8.250 nan 0.000 0.442 474 K N 1.123 121.529 120.400 0.009 0.000 2.574 474 K HA -0.010 4.313 4.320 0.005 0.000 0.193 474 K C 1.968 178.547 176.600 -0.034 0.000 1.035 474 K CA 0.314 56.586 56.287 -0.025 0.000 0.982 474 K CB -0.335 32.137 32.500 -0.048 0.000 0.795 474 K HN 0.038 nan 8.250 nan 0.000 0.491 475 L N 0.782 122.008 121.223 0.005 0.000 2.046 475 L HA -0.114 4.229 4.340 0.005 0.000 0.208 475 L C 1.463 178.298 176.870 -0.057 0.000 1.077 475 L CA 1.377 56.216 54.840 -0.002 0.000 0.747 475 L CB -0.398 41.700 42.059 0.065 0.000 0.896 475 L HN 0.250 nan 8.230 nan 0.000 0.432 476 Q N 0.249 120.006 119.800 -0.071 0.000 2.288 476 Q HA 0.435 4.778 4.340 0.005 0.000 0.254 476 Q C -0.238 175.614 176.000 -0.247 0.000 0.932 476 Q CA -0.318 55.405 55.803 -0.132 0.000 0.902 476 Q CB 1.124 29.804 28.738 -0.097 0.000 1.203 476 Q HN 0.318 nan 8.270 nan 0.000 0.415 477 A N 5.249 127.820 122.820 -0.415 0.000 2.462 477 A HA 0.228 4.551 4.320 0.005 0.000 0.243 477 A C -1.861 175.325 177.584 -0.663 0.000 1.076 477 A CA -1.198 50.356 52.037 -0.805 0.000 0.773 477 A CB -0.002 18.123 19.000 -1.457 0.000 1.010 477 A HN 0.790 nan 8.150 nan 0.000 0.493 478 P HA -0.105 nan 4.420 nan 0.000 0.218 478 P C 0.217 177.504 177.300 -0.022 0.000 1.148 478 P CA 1.310 64.318 63.100 -0.154 0.000 0.822 478 P CB -0.057 31.662 31.700 0.031 0.000 0.784 479 W N 0.528 121.835 121.300 0.011 0.000 1.438 479 W HA 0.443 5.104 4.660 0.003 0.000 0.455 479 W C -0.190 176.335 176.519 0.011 0.000 0.656 479 W CA -0.703 56.648 57.345 0.010 0.000 2.049 479 W CB -0.973 28.492 29.460 0.008 0.000 1.683 479 W HN -0.172 nan 8.180 nan 0.000 0.228 480 E N 0.000 120.213 120.200 0.022 0.000 2.725 480 E HA 0.000 4.353 4.350 0.005 0.000 0.291 480 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 480 E CB 0.000 29.733 29.700 0.054 0.000 0.812 480 E HN 0.000 nan 8.360 nan 0.000 0.440