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 2dkg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGRLN DATA SEQUENCE RKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK KIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILGDGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.014 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.027 0.000 1.302 2 L N 1.209 122.430 121.223 -0.005 0.000 2.375 2 L HA 0.486 4.835 4.340 0.015 0.000 0.215 2 L C 1.495 178.384 176.870 0.032 0.000 1.108 2 L CA 0.925 55.771 54.840 0.010 0.000 0.830 2 L CB -0.308 41.769 42.059 0.029 0.000 0.959 2 L HN 0.862 nan 8.230 nan 0.000 0.457 3 G N 1.408 110.225 108.800 0.029 0.000 2.249 3 G HA2 -0.281 3.688 3.960 0.015 0.000 0.273 3 G HA3 -0.281 3.688 3.960 0.015 0.000 0.273 3 G C 0.246 175.171 174.900 0.041 0.000 1.036 3 G CA -0.108 45.010 45.100 0.030 0.000 0.824 3 G HN 0.228 nan 8.290 nan 0.000 0.504 4 L N -0.702 120.555 121.223 0.056 0.000 2.485 4 L HA 0.226 4.575 4.340 0.015 0.000 0.275 4 L C 1.220 178.115 176.870 0.041 0.000 1.207 4 L CA 0.098 54.974 54.840 0.060 0.000 0.855 4 L CB 0.503 42.612 42.059 0.083 0.000 1.114 4 L HN -0.018 nan 8.230 nan 0.000 0.485 5 K N 0.951 121.370 120.400 0.033 0.000 2.438 5 K HA 0.146 4.475 4.320 0.015 0.000 0.205 5 K C 0.429 177.045 176.600 0.026 0.000 1.033 5 K CA -0.056 56.247 56.287 0.026 0.000 1.089 5 K CB 0.290 32.802 32.500 0.021 0.000 0.857 5 K HN 0.734 nan 8.250 nan 0.000 0.522 6 T N -1.773 112.797 114.554 0.027 0.000 2.856 6 T HA 0.160 4.519 4.350 0.015 0.000 0.306 6 T C 1.370 176.093 174.700 0.039 0.000 1.062 6 T CA -0.199 61.918 62.100 0.028 0.000 1.083 6 T CB 1.312 70.192 68.868 0.019 0.000 0.984 6 T HN -0.092 nan 8.240 nan 0.000 0.542 7 S N 0.627 116.355 115.700 0.048 0.000 2.388 7 S HA 0.163 4.642 4.470 0.015 0.000 0.223 7 S C 1.563 176.206 174.600 0.071 0.000 1.034 7 S CA 0.376 58.609 58.200 0.054 0.000 0.963 7 S CB -0.319 62.913 63.200 0.054 0.000 0.827 7 S HN 0.710 nan 8.310 nan 0.000 0.481 8 I N -0.103 120.523 120.570 0.094 0.000 3.623 8 I HA 0.259 4.438 4.170 0.015 0.000 0.253 8 I C -0.264 175.898 176.117 0.076 0.000 1.144 8 I CA -0.044 61.324 61.300 0.113 0.000 1.461 8 I CB 0.172 38.299 38.000 0.212 0.000 1.575 8 I HN 0.021 nan 8.210 nan 0.000 0.445 9 I N 2.925 123.531 120.570 0.059 0.000 2.578 9 I HA 0.107 4.286 4.170 0.015 0.000 0.286 9 I C 0.953 177.073 176.117 0.005 0.000 1.126 9 I CA 0.812 62.108 61.300 -0.006 0.000 1.380 9 I CB -0.112 37.854 38.000 -0.057 0.000 1.408 9 I HN 0.621 nan 8.210 nan 0.000 0.532 10 G N 5.298 114.115 108.800 0.030 0.000 2.148 10 G HA2 -0.195 3.774 3.960 0.015 0.000 0.203 10 G HA3 -0.195 3.774 3.960 0.015 0.000 0.203 10 G C 1.084 176.029 174.900 0.075 0.000 0.993 10 G CA -0.541 44.598 45.100 0.065 0.000 0.661 10 G HN 0.537 nan 8.290 nan 0.000 0.518 11 R N -0.160 120.379 120.500 0.065 0.000 2.120 11 R HA 0.061 4.410 4.340 0.015 0.000 0.234 11 R C 1.256 177.597 176.300 0.068 0.000 1.123 11 R CA 1.130 57.268 56.100 0.062 0.000 0.975 11 R CB -0.157 30.179 30.300 0.059 0.000 0.866 11 R HN 0.598 nan 8.270 nan 0.000 0.446 12 R N -0.668 119.880 120.500 0.080 0.000 2.698 12 R HA 0.538 4.887 4.340 0.015 0.000 0.275 12 R C -1.342 175.025 176.300 0.112 0.000 1.001 12 R CA -0.679 55.473 56.100 0.085 0.000 0.896 12 R CB 2.938 33.286 30.300 0.082 0.000 1.218 12 R HN -0.218 nan 8.270 nan 0.000 0.462 13 V N 3.418 123.397 119.914 0.109 0.000 2.686 13 V HA 0.483 4.612 4.120 0.015 0.000 0.306 13 V C -0.576 175.574 176.094 0.093 0.000 1.065 13 V CA -0.674 61.706 62.300 0.135 0.000 0.894 13 V CB 2.188 34.102 31.823 0.151 0.000 1.004 13 V HN 0.607 nan 8.190 nan 0.000 0.424 14 I N 5.003 125.642 120.570 0.115 0.000 2.354 14 I HA 0.406 4.585 4.170 0.015 0.000 0.286 14 I C -0.987 175.155 176.117 0.041 0.000 1.007 14 I CA -0.631 60.688 61.300 0.031 0.000 1.167 14 I CB 1.232 39.280 38.000 0.081 0.000 1.320 14 I HN 0.716 nan 8.210 nan 0.000 0.458 15 Y N 7.715 127.894 120.300 -0.201 0.000 2.342 15 Y HA 0.633 5.192 4.550 0.014 0.000 0.334 15 Y C -1.562 174.156 175.900 -0.303 0.000 1.067 15 Y CA -0.620 57.396 58.100 -0.139 0.000 1.128 15 Y CB 1.038 39.405 38.460 -0.155 0.000 1.200 15 Y HN 0.306 nan 8.280 nan 0.000 0.464 16 F N 4.199 123.568 119.950 -0.968 0.000 2.540 16 F HA 0.348 4.883 4.527 0.014 0.000 0.317 16 F C 0.971 176.163 175.800 -1.013 0.000 1.104 16 F CA -0.746 56.749 58.000 -0.843 0.000 0.913 16 F CB 2.275 40.991 39.000 -0.473 0.000 1.170 16 F HN 0.601 nan 8.300 nan 0.000 0.450 17 Q N 0.756 120.231 119.800 -0.541 0.000 2.124 17 Q HA -0.102 4.247 4.340 0.015 0.000 0.202 17 Q C 0.191 176.140 176.000 -0.085 0.000 0.977 17 Q CA 1.408 57.069 55.803 -0.237 0.000 0.850 17 Q CB 0.427 29.129 28.738 -0.060 0.000 0.901 17 Q HN 0.699 nan 8.270 nan 0.000 0.429 18 E N -0.662 119.508 120.200 -0.050 0.000 2.392 18 E HA 0.576 4.935 4.350 0.015 0.000 0.279 18 E C -1.822 174.741 176.600 -0.060 0.000 0.964 18 E CA -0.429 55.955 56.400 -0.027 0.000 0.777 18 E CB 1.785 31.477 29.700 -0.012 0.000 1.249 18 E HN 0.080 nan 8.360 nan 0.000 0.449 19 I N 1.331 121.823 120.570 -0.131 0.000 3.066 19 I HA 0.160 4.339 4.170 0.015 0.000 0.307 19 I C 0.638 176.656 176.117 -0.165 0.000 1.366 19 I CA -0.270 60.877 61.300 -0.254 0.000 0.972 19 I CB 2.226 39.868 38.000 -0.596 0.000 1.307 19 I HN 0.743 nan 8.210 nan 0.000 0.470 20 T N 1.413 115.881 114.554 -0.144 0.000 2.698 20 T HA 0.038 4.397 4.350 0.015 0.000 0.260 20 T C 0.377 175.032 174.700 -0.075 0.000 1.044 20 T CA 1.565 63.619 62.100 -0.077 0.000 1.149 20 T CB -0.043 68.803 68.868 -0.037 0.000 0.864 20 T HN 0.576 nan 8.240 nan 0.000 0.419 21 S N -0.763 114.883 115.700 -0.090 0.000 2.584 21 S HA 0.366 4.845 4.470 0.015 0.000 0.280 21 S C 0.844 175.386 174.600 -0.097 0.000 1.162 21 S CA 0.189 58.340 58.200 -0.081 0.000 0.951 21 S CB 1.115 64.327 63.200 0.020 0.000 1.108 21 S HN 0.512 nan 8.310 nan 0.000 0.464 22 T N 2.855 117.335 114.554 -0.123 0.000 2.833 22 T HA -0.092 4.267 4.350 0.015 0.000 0.269 22 T C 1.438 176.135 174.700 -0.005 0.000 1.054 22 T CA 1.703 63.750 62.100 -0.088 0.000 1.135 22 T CB -0.601 68.240 68.868 -0.044 0.000 0.869 22 T HN 0.521 nan 8.240 nan 0.000 0.466 23 N N 1.187 119.851 118.700 -0.059 0.000 2.142 23 N HA -0.043 4.706 4.740 0.015 0.000 0.186 23 N C 2.065 177.596 175.510 0.035 0.000 1.023 23 N CA 1.082 54.109 53.050 -0.039 0.000 0.852 23 N CB -0.219 38.186 38.487 -0.136 0.000 0.998 23 N HN 0.428 nan 8.380 nan 0.000 0.424 24 E N -0.231 120.014 120.200 0.076 0.000 2.047 24 E HA -0.136 4.223 4.350 0.015 0.000 0.191 24 E C 1.769 178.389 176.600 0.034 0.000 0.987 24 E CA 0.542 56.984 56.400 0.070 0.000 0.799 24 E CB -0.507 29.243 29.700 0.083 0.000 0.752 24 E HN 0.396 nan 8.360 nan 0.000 0.449 25 F N 1.520 121.411 119.950 -0.098 0.000 2.134 25 F HA -0.166 4.370 4.527 0.015 0.000 0.299 25 F C 2.230 177.993 175.800 -0.062 0.000 1.097 25 F CA 1.538 59.474 58.000 -0.107 0.000 1.264 25 F CB -0.126 38.751 39.000 -0.205 0.000 1.001 25 F HN -0.010 nan 8.300 nan 0.000 0.479 26 A N 0.035 122.932 122.820 0.128 0.000 1.930 26 A HA -0.157 4.172 4.320 0.015 0.000 0.217 26 A C 2.218 179.765 177.584 -0.061 0.000 1.175 26 A CA 1.621 53.691 52.037 0.056 0.000 0.627 26 A CB -0.555 18.495 19.000 0.084 0.000 0.815 26 A HN 0.439 nan 8.150 nan 0.000 0.443 27 K N -0.995 119.366 120.400 -0.065 0.000 2.062 27 K HA -0.054 4.275 4.320 0.015 0.000 0.205 27 K C 2.031 178.537 176.600 -0.158 0.000 1.051 27 K CA 1.660 57.896 56.287 -0.084 0.000 0.941 27 K CB -0.259 32.210 32.500 -0.051 0.000 0.719 27 K HN 0.438 nan 8.250 nan 0.000 0.440 28 T N 0.962 115.388 114.554 -0.213 0.000 2.812 28 T HA -0.012 4.347 4.350 0.015 0.000 0.264 28 T C 0.974 175.404 174.700 -0.450 0.000 1.042 28 T CA 0.593 62.516 62.100 -0.295 0.000 1.140 28 T CB 0.070 68.779 68.868 -0.265 0.000 0.870 28 T HN 0.071 nan 8.240 nan 0.000 0.445 29 S N 0.695 116.075 115.700 -0.533 0.000 2.592 29 S HA 0.333 4.812 4.470 0.015 0.000 0.271 29 S C -0.782 173.591 174.600 -0.378 0.000 1.326 29 S CA -0.607 57.261 58.200 -0.554 0.000 1.024 29 S CB 0.180 62.913 63.200 -0.778 0.000 0.921 29 S HN 0.261 nan 8.310 nan 0.000 0.527 30 Y N 1.955 122.187 120.300 -0.113 0.000 2.486 30 Y HA 0.427 4.986 4.550 0.015 0.000 0.348 30 Y C 0.136 176.023 175.900 -0.022 0.000 1.000 30 Y CA -0.276 57.794 58.100 -0.050 0.000 1.253 30 Y CB -0.360 38.082 38.460 -0.031 0.000 1.140 30 Y HN 0.323 nan 8.280 nan 0.000 0.526 31 L N 3.128 124.425 121.223 0.124 0.000 2.388 31 L HA 0.492 4.841 4.340 0.015 0.000 0.264 31 L C -0.253 176.674 176.870 0.094 0.000 0.998 31 L CA -1.233 53.670 54.840 0.105 0.000 0.817 31 L CB 2.128 44.242 42.059 0.091 0.000 1.338 31 L HN 0.371 nan 8.230 nan 0.000 0.414 32 E N 1.308 121.560 120.200 0.087 0.000 2.349 32 E HA 0.104 4.463 4.350 0.015 0.000 0.265 32 E C -0.503 176.136 176.600 0.065 0.000 1.064 32 E CA -0.423 56.021 56.400 0.073 0.000 0.886 32 E CB 1.400 31.141 29.700 0.068 0.000 1.036 32 E HN 0.507 nan 8.360 nan 0.000 0.413 33 E N -0.032 120.206 120.200 0.063 0.000 2.442 33 E HA 0.048 4.407 4.350 0.015 0.000 0.262 33 E C 0.698 177.327 176.600 0.048 0.000 1.004 33 E CA 0.907 57.340 56.400 0.055 0.000 0.928 33 E CB 0.134 29.885 29.700 0.086 0.000 0.937 33 E HN 0.695 nan 8.360 nan 0.000 0.446 34 G N 3.133 111.938 108.800 0.008 0.000 2.241 34 G HA2 -0.263 3.706 3.960 0.015 0.000 0.244 34 G HA3 -0.263 3.706 3.960 0.015 0.000 0.244 34 G C 0.362 175.279 174.900 0.028 0.000 0.998 34 G CA 0.279 45.383 45.100 0.007 0.000 0.621 34 G HN 0.641 nan 8.290 nan 0.000 0.519 35 T N 1.477 116.061 114.554 0.050 0.000 2.888 35 T HA 0.453 4.812 4.350 0.015 0.000 0.301 35 T C 0.408 175.163 174.700 0.092 0.000 1.001 35 T CA 0.242 62.393 62.100 0.085 0.000 1.147 35 T CB 2.012 70.945 68.868 0.108 0.000 0.931 35 T HN 0.468 nan 8.240 nan 0.000 0.541 36 V N 5.510 125.500 119.914 0.126 0.000 2.435 36 V HA 0.383 4.512 4.120 0.015 0.000 0.290 36 V C -0.062 176.150 176.094 0.197 0.000 1.030 36 V CA -0.894 61.498 62.300 0.153 0.000 0.881 36 V CB 1.421 33.371 31.823 0.211 0.000 0.983 36 V HN 0.688 nan 8.190 nan 0.000 0.445 37 I N 5.609 126.292 120.570 0.189 0.000 2.330 37 I HA 0.510 4.689 4.170 0.015 0.000 0.289 37 I C -0.191 176.035 176.117 0.182 0.000 1.001 37 I CA -0.319 61.105 61.300 0.208 0.000 1.193 37 I CB 1.402 39.520 38.000 0.197 0.000 1.345 37 I HN 0.364 nan 8.210 nan 0.000 0.461 38 V N 6.073 126.116 119.914 0.215 0.000 2.789 38 V HA 0.929 5.058 4.120 0.015 0.000 0.311 38 V C -0.859 175.350 176.094 0.191 0.000 1.073 38 V CA -0.300 62.119 62.300 0.198 0.000 0.921 38 V CB 2.068 34.006 31.823 0.192 0.000 1.009 38 V HN 0.891 nan 8.190 nan 0.000 0.426 39 A N 3.716 126.636 122.820 0.166 0.000 2.475 39 A HA 0.647 4.976 4.320 0.015 0.000 0.301 39 A C 0.219 177.934 177.584 0.217 0.000 1.059 39 A CA -0.430 51.673 52.037 0.111 0.000 0.710 39 A CB 1.578 20.593 19.000 0.026 0.000 1.288 39 A HN 0.793 nan 8.150 nan 0.000 0.408 40 D N 0.578 121.076 120.400 0.164 0.000 2.144 40 D HA -0.036 4.613 4.640 0.015 0.000 0.199 40 D C 0.457 176.969 176.300 0.353 0.000 0.984 40 D CA 1.921 56.053 54.000 0.220 0.000 0.834 40 D CB 0.162 41.071 40.800 0.182 0.000 0.955 40 D HN 0.704 nan 8.370 nan 0.000 0.465 41 K N -0.628 119.942 120.400 0.282 0.000 2.551 41 K HA 0.449 4.778 4.320 0.015 0.000 0.269 41 K C -1.229 175.392 176.600 0.036 0.000 0.949 41 K CA -0.861 55.562 56.287 0.226 0.000 0.849 41 K CB 1.855 34.435 32.500 0.133 0.000 1.411 41 K HN -0.263 nan 8.250 nan 0.000 0.432 42 Q N 0.872 120.596 119.800 -0.126 0.000 2.342 42 Q HA 0.252 4.601 4.340 0.015 0.000 0.267 42 Q C 0.139 176.060 176.000 -0.132 0.000 1.038 42 Q CA -0.687 55.027 55.803 -0.148 0.000 0.832 42 Q CB 2.297 30.909 28.738 -0.211 0.000 1.323 42 Q HN 0.903 nan 8.270 nan 0.000 0.448 43 T N -1.607 112.893 114.554 -0.090 0.000 3.044 43 T HA 0.194 4.553 4.350 0.015 0.000 0.255 43 T C 0.962 175.627 174.700 -0.058 0.000 1.073 43 T CA 0.379 62.438 62.100 -0.069 0.000 1.125 43 T CB 0.231 69.070 68.868 -0.048 0.000 0.908 43 T HN 0.507 nan 8.240 nan 0.000 0.480 44 M N 2.023 121.595 119.600 -0.045 0.000 3.189 44 M HA 0.406 4.895 4.480 0.015 0.000 0.365 44 M C 0.478 176.802 176.300 0.041 0.000 1.447 44 M CA -0.699 54.599 55.300 -0.003 0.000 0.739 44 M CB 1.301 33.906 32.600 0.010 0.000 1.411 44 M HN 0.310 nan 8.290 nan 0.000 0.494 45 G N 0.933 109.722 108.800 -0.018 0.000 2.441 45 G HA2 0.317 4.286 3.960 0.015 0.000 0.243 45 G HA3 0.317 4.286 3.960 0.015 0.000 0.243 45 G C -0.530 174.428 174.900 0.097 0.000 1.281 45 G CA -0.069 45.017 45.100 -0.024 0.000 0.854 45 G HN 0.662 nan 8.290 nan 0.000 0.560 46 H N -0.161 118.921 119.070 0.020 0.000 2.946 46 H HA 0.746 5.312 4.556 0.016 0.000 0.365 46 H C 0.165 175.501 175.328 0.012 0.000 1.197 46 H CA -0.519 55.552 56.048 0.038 0.000 1.131 46 H CB 1.416 31.173 29.762 -0.008 0.000 1.849 46 H HN 0.665 nan 8.280 nan 0.000 0.555 47 G N 0.650 109.557 108.800 0.178 0.000 3.039 47 G HA2 0.395 4.364 3.960 0.015 0.000 0.159 47 G HA3 0.395 4.364 3.960 0.015 0.000 0.159 47 G C -0.177 174.776 174.900 0.088 0.000 1.284 47 G CA -1.108 44.029 45.100 0.062 0.000 0.996 47 G HN 0.528 nan 8.290 nan 0.000 0.592 48 R N -0.859 119.664 120.500 0.037 0.000 2.652 48 R HA 0.302 4.651 4.340 0.015 0.000 0.272 48 R C 0.064 176.386 176.300 0.036 0.000 1.162 48 R CA -0.800 55.314 56.100 0.025 0.000 1.199 48 R CB 0.059 30.351 30.300 -0.013 0.000 1.166 48 R HN 0.170 nan 8.270 nan 0.000 0.597 49 L N 2.337 123.571 121.223 0.018 0.000 4.191 49 L HA -0.320 4.029 4.340 0.015 0.000 0.480 49 L C -0.391 176.482 176.870 0.006 0.000 1.095 49 L CA 1.019 55.865 54.840 0.010 0.000 0.747 49 L CB -2.432 39.634 42.059 0.012 0.000 1.700 49 L HN 0.867 nan 8.230 nan 0.000 0.835 50 N N -1.458 117.240 118.700 -0.003 0.000 2.747 50 N HA -0.206 4.543 4.740 0.015 0.000 0.249 50 N C 0.666 176.186 175.510 0.016 0.000 1.107 50 N CA 1.129 54.167 53.050 -0.019 0.000 0.707 50 N CB -0.478 37.989 38.487 -0.033 0.000 1.054 50 N HN 0.619 nan 8.380 nan 0.000 0.555 51 R N 0.921 121.454 120.500 0.054 0.000 2.500 51 R HA 0.351 4.700 4.340 0.015 0.000 0.275 51 R C 0.737 177.103 176.300 0.111 0.000 1.051 51 R CA -0.497 55.645 56.100 0.071 0.000 1.088 51 R CB 1.516 31.866 30.300 0.083 0.000 1.063 51 R HN 0.102 nan 8.270 nan 0.000 0.511 52 K N 1.630 122.081 120.400 0.084 0.000 2.144 52 K HA 0.141 4.470 4.320 0.015 0.000 0.270 52 K C -1.222 175.455 176.600 0.127 0.000 1.005 52 K CA -0.501 55.838 56.287 0.087 0.000 0.932 52 K CB 1.040 33.548 32.500 0.014 0.000 1.021 52 K HN 0.563 nan 8.250 nan 0.000 0.462 53 W N 5.614 126.856 121.300 -0.097 0.000 2.499 53 W HA 0.208 4.876 4.660 0.014 0.000 0.320 53 W C -0.990 175.375 176.519 -0.256 0.000 1.010 53 W CA -0.610 56.638 57.345 -0.163 0.000 1.267 53 W CB 1.287 30.631 29.460 -0.194 0.000 1.316 53 W HN 0.634 nan 8.180 nan 0.000 0.431 54 E N 3.105 122.875 120.200 -0.718 0.000 2.417 54 E HA 0.052 4.411 4.350 0.015 0.000 0.261 54 E C -0.168 175.938 176.600 -0.823 0.000 1.000 54 E CA 0.439 56.483 56.400 -0.592 0.000 0.919 54 E CB 1.062 30.472 29.700 -0.484 0.000 0.955 54 E HN 0.255 nan 8.360 nan 0.000 0.455 55 S N 4.291 119.594 115.700 -0.661 0.000 2.327 55 S HA 0.231 4.710 4.470 0.015 0.000 0.203 55 S C -2.233 172.139 174.600 -0.380 0.000 1.326 55 S CA -0.994 56.541 58.200 -1.108 0.000 1.248 55 S CB 0.707 63.184 63.200 -1.205 0.000 1.199 55 S HN 0.374 nan 8.310 nan 0.000 0.422 56 P HA 0.228 nan 4.420 nan 0.000 0.274 56 P C -0.342 177.186 177.300 0.380 0.000 1.256 56 P CA -0.366 62.824 63.100 0.148 0.000 0.795 56 P CB 0.765 32.514 31.700 0.082 0.000 1.038 57 E N -0.518 119.823 120.200 0.235 0.000 2.414 57 E HA 0.295 4.654 4.350 0.015 0.000 0.263 57 E C 1.080 177.769 176.600 0.150 0.000 1.000 57 E CA 1.176 57.699 56.400 0.205 0.000 0.914 57 E CB -0.296 29.475 29.700 0.118 0.000 0.948 57 E HN 0.808 nan 8.360 nan 0.000 0.444 58 G N 1.990 110.834 108.800 0.074 0.000 2.284 58 G HA2 -0.159 3.810 3.960 0.015 0.000 0.201 58 G HA3 -0.159 3.810 3.960 0.015 0.000 0.201 58 G C 0.421 175.242 174.900 -0.133 0.000 0.998 58 G CA -0.391 44.704 45.100 -0.008 0.000 0.651 58 G HN 0.809 nan 8.290 nan 0.000 0.489 59 G N -0.621 108.026 108.800 -0.255 0.000 2.521 59 G HA2 0.691 4.660 3.960 0.015 0.000 0.323 59 G HA3 0.691 4.660 3.960 0.015 0.000 0.323 59 G C -0.935 173.184 174.900 -1.303 0.000 1.211 59 G CA -0.705 43.877 45.100 -0.863 0.000 0.979 59 G HN 0.850 nan 8.290 nan 0.000 0.490 60 L N 0.480 120.926 121.223 -1.295 0.000 2.277 60 L HA 0.579 4.928 4.340 0.015 0.000 0.284 60 L C -1.395 175.114 176.870 -0.601 0.000 1.028 60 L CA -1.096 53.297 54.840 -0.745 0.000 0.835 60 L CB 0.339 42.208 42.059 -0.316 0.000 1.215 60 L HN 0.519 nan 8.230 nan 0.000 0.425 61 W N 7.734 129.083 121.300 0.082 0.000 2.336 61 W HA 0.614 5.281 4.660 0.012 0.000 0.315 61 W C -0.889 175.645 176.519 0.026 0.000 1.016 61 W CA -1.009 56.360 57.345 0.041 0.000 1.318 61 W CB 0.942 30.432 29.460 0.049 0.000 1.247 61 W HN 0.362 nan 8.180 nan 0.000 0.414 62 L N 0.535 121.866 121.223 0.180 0.000 2.409 62 L HA 0.933 5.282 4.340 0.015 0.000 0.255 62 L C -0.430 176.467 176.870 0.045 0.000 1.027 62 L CA -1.127 53.789 54.840 0.126 0.000 0.834 62 L CB 1.970 44.130 42.059 0.167 0.000 1.426 62 L HN 0.039 nan 8.230 nan 0.000 0.411 63 S N 0.958 116.688 115.700 0.049 0.000 2.541 63 S HA 0.850 5.329 4.470 0.015 0.000 0.280 63 S C -0.809 173.803 174.600 0.020 0.000 1.112 63 S CA -0.384 57.820 58.200 0.006 0.000 0.925 63 S CB 1.504 64.709 63.200 0.009 0.000 1.067 63 S HN 0.581 nan 8.310 nan 0.000 0.479 64 I N 2.016 122.568 120.570 -0.030 0.000 2.436 64 I HA 0.400 4.579 4.170 0.015 0.000 0.289 64 I C -0.743 175.336 176.117 -0.064 0.000 1.010 64 I CA -0.961 60.311 61.300 -0.047 0.000 1.098 64 I CB 1.892 39.825 38.000 -0.111 0.000 1.266 64 I HN 0.254 nan 8.210 nan 0.000 0.434 65 V N 7.303 127.197 119.914 -0.034 0.000 2.461 65 V HA 0.412 4.541 4.120 0.015 0.000 0.275 65 V C 0.132 176.182 176.094 -0.073 0.000 1.047 65 V CA -0.131 62.151 62.300 -0.030 0.000 0.955 65 V CB 1.075 32.909 31.823 0.018 0.000 0.988 65 V HN 0.464 nan 8.190 nan 0.000 0.471 66 L N 3.529 124.706 121.223 -0.077 0.000 2.350 66 L HA 0.626 4.975 4.340 0.015 0.000 0.260 66 L C 0.014 176.906 176.870 0.037 0.000 1.015 66 L CA -0.434 54.353 54.840 -0.088 0.000 0.821 66 L CB 2.342 44.264 42.059 -0.227 0.000 1.370 66 L HN 0.522 nan 8.230 nan 0.000 0.416 67 S N 1.649 117.428 115.700 0.131 0.000 2.407 67 S HA 0.302 4.781 4.470 0.015 0.000 0.166 67 S C -2.540 172.187 174.600 0.211 0.000 1.445 67 S CA -0.960 57.324 58.200 0.140 0.000 1.260 67 S CB 0.351 63.617 63.200 0.109 0.000 1.401 67 S HN 0.356 nan 8.310 nan 0.000 0.379 68 P HA 0.074 nan 4.420 nan 0.000 0.258 68 P C -0.703 176.701 177.300 0.173 0.000 1.187 68 P CA -0.092 63.203 63.100 0.325 0.000 0.767 68 P CB 0.383 32.345 31.700 0.435 0.000 0.770 69 K N 3.694 124.153 120.400 0.099 0.000 2.518 69 K HA 0.273 4.602 4.320 0.015 0.000 0.244 69 K C 0.354 176.947 176.600 -0.011 0.000 1.232 69 K CA -0.420 55.890 56.287 0.038 0.000 1.189 69 K CB -0.006 32.504 32.500 0.016 0.000 1.737 69 K HN 0.378 nan 8.250 nan 0.000 0.333 70 V N -1.733 118.184 119.914 0.005 0.000 3.130 70 V HA 0.636 4.765 4.120 0.015 0.000 0.310 70 V C -2.762 173.329 176.094 -0.006 0.000 1.158 70 V CA -2.794 59.472 62.300 -0.056 0.000 1.029 70 V CB 1.644 33.375 31.823 -0.153 0.000 1.057 70 V HN 0.104 nan 8.190 nan 0.000 0.436 71 P HA 0.142 nan 4.420 nan 0.000 0.267 71 P C 0.601 177.928 177.300 0.044 0.000 1.200 71 P CA 0.140 63.245 63.100 0.008 0.000 0.772 71 P CB 0.445 32.141 31.700 -0.007 0.000 0.855 72 Q N 1.691 121.522 119.800 0.053 0.000 2.308 72 Q HA -0.266 4.083 4.340 0.015 0.000 0.209 72 Q C 0.967 177.021 176.000 0.090 0.000 0.985 72 Q CA 1.681 57.526 55.803 0.069 0.000 0.881 72 Q CB -0.044 28.727 28.738 0.056 0.000 0.917 72 Q HN 0.272 nan 8.270 nan 0.000 0.443 73 K N 0.536 120.992 120.400 0.093 0.000 2.211 73 K HA -0.093 4.236 4.320 0.015 0.000 0.203 73 K C 1.226 177.911 176.600 0.142 0.000 1.050 73 K CA 1.408 57.776 56.287 0.135 0.000 0.945 73 K CB 0.130 32.717 32.500 0.144 0.000 0.732 73 K HN 0.286 nan 8.250 nan 0.000 0.451 74 D N 0.159 120.631 120.400 0.121 0.000 2.333 74 D HA -0.012 4.637 4.640 0.015 0.000 0.208 74 D C 1.543 178.035 176.300 0.320 0.000 0.984 74 D CA 0.279 54.392 54.000 0.187 0.000 0.873 74 D CB 0.149 40.998 40.800 0.082 0.000 0.935 74 D HN -0.003 nan 8.370 nan 0.000 0.521 75 L N 1.089 122.456 121.223 0.240 0.000 2.089 75 L HA -0.152 4.197 4.340 0.015 0.000 0.213 75 L C -0.478 176.488 176.870 0.160 0.000 1.079 75 L CA 1.866 56.832 54.840 0.211 0.000 0.758 75 L CB -2.351 39.788 42.059 0.134 0.000 0.891 75 L HN 0.033 nan 8.230 nan 0.000 0.433 76 P HA -0.153 nan 4.420 nan 0.000 0.225 76 P C 1.365 178.756 177.300 0.151 0.000 1.148 76 P CA 1.185 64.388 63.100 0.171 0.000 0.779 76 P CB -0.019 31.747 31.700 0.110 0.000 0.780 77 K N -0.964 119.553 120.400 0.195 0.000 2.432 77 K HA 0.013 4.342 4.320 0.015 0.000 0.196 77 K C 1.667 178.213 176.600 -0.090 0.000 1.038 77 K CA 0.504 56.922 56.287 0.218 0.000 0.986 77 K CB -0.325 32.466 32.500 0.484 0.000 0.782 77 K HN 0.118 nan 8.250 nan 0.000 0.485 78 I N 0.979 121.432 120.570 -0.195 0.000 2.264 78 I HA -0.236 3.943 4.170 0.015 0.000 0.248 78 I C 2.299 178.242 176.117 -0.290 0.000 1.111 78 I CA 1.163 62.273 61.300 -0.317 0.000 1.382 78 I CB -0.927 36.953 38.000 -0.200 0.000 1.060 78 I HN 0.002 nan 8.210 nan 0.000 0.418 79 V N 0.709 120.397 119.914 -0.375 0.000 2.490 79 V HA -0.279 3.850 4.120 0.015 0.000 0.250 79 V C 2.388 178.258 176.094 -0.373 0.000 1.061 79 V CA 1.686 63.708 62.300 -0.463 0.000 1.064 79 V CB -0.457 30.916 31.823 -0.751 0.000 0.670 79 V HN 0.154 nan 8.190 nan 0.000 0.461 80 F N -0.071 119.778 119.950 -0.167 0.000 2.234 80 F HA -0.011 4.524 4.527 0.013 0.000 0.299 80 F C 2.108 177.844 175.800 -0.108 0.000 1.087 80 F CA 1.170 59.101 58.000 -0.115 0.000 1.340 80 F CB -0.902 38.074 39.000 -0.039 0.000 1.031 80 F HN 0.129 nan 8.300 nan 0.000 0.500 81 L N -0.393 120.834 121.223 0.007 0.000 2.012 81 L HA -0.173 4.176 4.340 0.015 0.000 0.210 81 L C 2.796 179.636 176.870 -0.050 0.000 1.073 81 L CA 1.551 56.364 54.840 -0.045 0.000 0.748 81 L CB -1.520 40.447 42.059 -0.152 0.000 0.891 81 L HN 0.264 nan 8.230 nan 0.000 0.431 82 G N -0.426 108.316 108.800 -0.097 0.000 2.459 82 G HA2 -0.269 3.700 3.960 0.015 0.000 0.217 82 G HA3 -0.269 3.700 3.960 0.015 0.000 0.217 82 G C 1.769 176.630 174.900 -0.065 0.000 1.183 82 G CA 0.909 45.948 45.100 -0.102 0.000 0.776 82 G HN 0.476 nan 8.290 nan 0.000 0.552 83 A N -0.017 122.777 122.820 -0.044 0.000 1.877 83 A HA 0.054 4.383 4.320 0.015 0.000 0.216 83 A C 2.618 180.211 177.584 0.015 0.000 1.186 83 A CA 1.959 53.992 52.037 -0.008 0.000 0.620 83 A CB -0.728 18.293 19.000 0.035 0.000 0.822 83 A HN 0.285 nan 8.150 nan 0.000 0.443 84 V N -0.064 119.871 119.914 0.035 0.000 2.407 84 V HA -0.171 3.958 4.120 0.015 0.000 0.248 84 V C 2.795 178.897 176.094 0.013 0.000 1.055 84 V CA 1.883 64.200 62.300 0.029 0.000 1.049 84 V CB -1.403 30.444 31.823 0.039 0.000 0.662 84 V HN 0.628 nan 8.190 nan 0.000 0.455 85 G N -0.230 108.570 108.800 -0.001 0.000 2.418 85 G HA2 -0.208 3.761 3.960 0.015 0.000 0.217 85 G HA3 -0.208 3.761 3.960 0.015 0.000 0.217 85 G C 1.678 176.570 174.900 -0.013 0.000 1.158 85 G CA 1.246 46.339 45.100 -0.013 0.000 0.771 85 G HN 0.379 nan 8.290 nan 0.000 0.545 86 V N 0.456 120.358 119.914 -0.020 0.000 2.295 86 V HA -0.177 3.952 4.120 0.015 0.000 0.246 86 V C 3.038 179.134 176.094 0.004 0.000 1.049 86 V CA 1.500 63.790 62.300 -0.017 0.000 1.024 86 V CB -0.474 31.335 31.823 -0.023 0.000 0.648 86 V HN 0.241 nan 8.190 nan 0.000 0.447 87 V N 0.079 119.999 119.914 0.010 0.000 2.324 87 V HA -0.315 3.814 4.120 0.015 0.000 0.250 87 V C 2.454 178.565 176.094 0.028 0.000 1.060 87 V CA 2.317 64.628 62.300 0.018 0.000 1.042 87 V CB -0.703 31.130 31.823 0.016 0.000 0.650 87 V HN 0.657 nan 8.190 nan 0.000 0.450 88 E N -0.430 119.786 120.200 0.026 0.000 2.077 88 E HA -0.197 4.162 4.350 0.015 0.000 0.193 88 E C 2.276 178.911 176.600 0.059 0.000 0.989 88 E CA 1.772 58.191 56.400 0.032 0.000 0.800 88 E CB -0.355 29.359 29.700 0.023 0.000 0.746 88 E HN 0.561 nan 8.360 nan 0.000 0.452 89 T N 1.706 116.300 114.554 0.066 0.000 2.788 89 T HA -0.097 4.262 4.350 0.015 0.000 0.268 89 T C 1.965 176.795 174.700 0.215 0.000 1.044 89 T CA 0.732 62.913 62.100 0.135 0.000 1.139 89 T CB -0.141 68.772 68.868 0.075 0.000 0.867 89 T HN 0.078 nan 8.240 nan 0.000 0.454 90 L N 0.363 121.655 121.223 0.114 0.000 2.046 90 L HA -0.102 4.247 4.340 0.015 0.000 0.208 90 L C 2.616 179.575 176.870 0.147 0.000 1.077 90 L CA 1.435 56.344 54.840 0.115 0.000 0.747 90 L CB -0.421 41.667 42.059 0.048 0.000 0.896 90 L HN 0.214 nan 8.230 nan 0.000 0.432 91 K N -0.025 120.432 120.400 0.096 0.000 2.147 91 K HA -0.173 4.156 4.320 0.015 0.000 0.205 91 K C 1.930 178.565 176.600 0.057 0.000 1.049 91 K CA 1.182 57.508 56.287 0.064 0.000 0.936 91 K CB -0.048 32.473 32.500 0.035 0.000 0.722 91 K HN 0.353 nan 8.250 nan 0.000 0.446 92 E N -0.332 119.912 120.200 0.073 0.000 2.204 92 E HA -0.134 4.225 4.350 0.015 0.000 0.194 92 E C 0.807 177.311 176.600 -0.159 0.000 0.989 92 E CA 0.844 57.222 56.400 -0.037 0.000 0.824 92 E CB 0.043 29.717 29.700 -0.043 0.000 0.756 92 E HN 0.253 nan 8.360 nan 0.000 0.477 93 F N 0.177 120.122 119.950 -0.008 0.000 2.641 93 F HA 0.173 4.706 4.527 0.010 0.000 0.302 93 F C 0.547 176.345 175.800 -0.005 0.000 1.098 93 F CA -0.092 57.904 58.000 -0.006 0.000 1.318 93 F CB 0.465 39.461 39.000 -0.007 0.000 1.035 93 F HN -0.286 nan 8.300 nan 0.000 0.551 94 S N 1.047 116.809 115.700 0.104 0.000 3.682 94 S HA -0.205 4.274 4.470 0.015 0.000 0.354 94 S C -0.003 174.640 174.600 0.072 0.000 1.034 94 S CA 0.244 58.483 58.200 0.064 0.000 1.084 94 S CB -1.982 61.240 63.200 0.036 0.000 0.903 94 S HN 0.318 nan 8.310 nan 0.000 0.470 95 I N 1.180 121.801 120.570 0.085 0.000 2.406 95 I HA 0.248 4.427 4.170 0.015 0.000 0.290 95 I C 0.216 176.356 176.117 0.039 0.000 0.999 95 I CA -0.657 60.678 61.300 0.058 0.000 1.124 95 I CB 1.567 39.602 38.000 0.058 0.000 1.289 95 I HN -0.037 nan 8.210 nan 0.000 0.441 96 D N 5.922 126.335 120.400 0.022 0.000 2.600 96 D HA 0.157 4.806 4.640 0.015 0.000 0.226 96 D C 0.455 176.751 176.300 -0.005 0.000 1.119 96 D CA 0.066 54.070 54.000 0.007 0.000 1.051 96 D CB 0.162 40.961 40.800 -0.001 0.000 1.106 96 D HN 0.622 nan 8.370 nan 0.000 0.491 97 G N 2.784 111.587 108.800 0.004 0.000 2.390 97 G HA2 0.405 4.374 3.960 0.015 0.000 0.270 97 G HA3 0.405 4.374 3.960 0.015 0.000 0.270 97 G C -0.063 174.828 174.900 -0.015 0.000 1.211 97 G CA -0.662 44.436 45.100 -0.003 0.000 0.842 97 G HN 0.310 nan 8.290 nan 0.000 0.519 98 R N 1.662 122.142 120.500 -0.033 0.000 2.686 98 R HA 0.332 4.681 4.340 0.015 0.000 0.283 98 R C -0.613 175.683 176.300 -0.007 0.000 0.978 98 R CA -0.882 55.195 56.100 -0.039 0.000 0.897 98 R CB 2.461 32.698 30.300 -0.104 0.000 1.192 98 R HN 0.449 nan 8.270 nan 0.000 0.457 99 I N 2.296 122.882 120.570 0.027 0.000 2.416 99 I HA 0.160 4.339 4.170 0.015 0.000 0.288 99 I C 0.604 176.804 176.117 0.139 0.000 1.051 99 I CA -0.032 61.313 61.300 0.074 0.000 1.375 99 I CB 0.711 38.761 38.000 0.085 0.000 1.407 99 I HN 0.224 nan 8.210 nan 0.000 0.516 100 K N 7.381 127.884 120.400 0.172 0.000 2.293 100 K HA 0.151 4.480 4.320 0.015 0.000 0.267 100 K C -0.835 175.909 176.600 0.240 0.000 1.010 100 K CA -0.641 55.815 56.287 0.283 0.000 0.875 100 K CB 0.898 33.590 32.500 0.320 0.000 1.106 100 K HN 0.553 nan 8.250 nan 0.000 0.450 101 W N 8.070 129.429 121.300 0.099 0.000 2.257 101 W HA 0.006 4.674 4.660 0.013 0.000 0.337 101 W C -1.804 174.726 176.519 0.018 0.000 1.321 101 W CA -1.005 56.394 57.345 0.090 0.000 1.267 101 W CB 0.916 30.437 29.460 0.102 0.000 1.187 101 W HN 0.545 nan 8.180 nan 0.000 0.565 102 P HA -0.030 nan 4.420 nan 0.000 0.242 102 P C 0.169 177.084 177.300 -0.642 0.000 1.176 102 P CA 1.090 63.475 63.100 -1.191 0.000 0.859 102 P CB 0.540 31.047 31.700 -1.989 0.000 1.010 103 N N -0.484 117.954 118.700 -0.436 0.000 2.241 103 N HA 0.086 4.835 4.740 0.015 0.000 0.238 103 N C -0.724 174.688 175.510 -0.163 0.000 1.244 103 N CA -0.144 52.708 53.050 -0.329 0.000 0.880 103 N CB 0.209 38.466 38.487 -0.384 0.000 1.179 103 N HN -0.029 nan 8.380 nan 0.000 0.513 104 D N 0.535 120.893 120.400 -0.070 0.000 2.299 104 D HA 0.401 5.050 4.640 0.015 0.000 0.243 104 D C -0.493 175.833 176.300 0.043 0.000 0.982 104 D CA -0.500 53.506 54.000 0.009 0.000 0.924 104 D CB 3.154 43.995 40.800 0.068 0.000 1.238 104 D HN -0.202 nan 8.370 nan 0.000 0.484 105 V N 1.860 121.807 119.914 0.055 0.000 2.444 105 V HA 0.406 4.535 4.120 0.015 0.000 0.294 105 V C -0.004 176.126 176.094 0.059 0.000 1.022 105 V CA -0.664 61.664 62.300 0.048 0.000 0.850 105 V CB 1.534 33.377 31.823 0.032 0.000 0.992 105 V HN 0.314 nan 8.190 nan 0.000 0.426 106 L N 4.538 125.779 121.223 0.029 0.000 2.303 106 L HA 0.797 5.146 4.340 0.015 0.000 0.266 106 L C -0.875 175.977 176.870 -0.030 0.000 1.011 106 L CA -1.106 53.741 54.840 0.012 0.000 0.818 106 L CB 2.362 44.410 42.059 -0.018 0.000 1.326 106 L HN 0.307 nan 8.230 nan 0.000 0.435 107 V N 1.514 121.421 119.914 -0.013 0.000 2.447 107 V HA 0.303 4.432 4.120 0.015 0.000 0.292 107 V C -0.316 175.777 176.094 -0.003 0.000 1.021 107 V CA -0.658 61.632 62.300 -0.015 0.000 0.850 107 V CB 1.225 33.055 31.823 0.011 0.000 1.005 107 V HN 0.877 nan 8.190 nan 0.000 0.426 108 N N 4.413 123.098 118.700 -0.026 0.000 2.740 108 N HA -0.254 4.495 4.740 0.015 0.000 0.248 108 N C 0.151 175.758 175.510 0.161 0.000 1.062 108 N CA 1.197 54.280 53.050 0.055 0.000 0.704 108 N CB -1.151 37.376 38.487 0.066 0.000 0.968 108 N HN 0.962 nan 8.380 nan 0.000 0.547 109 Y N -3.077 117.203 120.300 -0.034 0.000 4.798 109 Y HA -0.315 4.239 4.550 0.008 0.000 0.237 109 Y C 0.560 176.481 175.900 0.035 0.000 1.017 109 Y CA 1.407 59.489 58.100 -0.029 0.000 2.010 109 Y CB -1.394 37.016 38.460 -0.084 0.000 1.582 109 Y HN 0.230 nan 8.280 nan 0.000 0.621 110 K N 1.089 121.566 120.400 0.128 0.000 2.206 110 K HA 0.328 4.657 4.320 0.015 0.000 0.264 110 K C 0.074 176.730 176.600 0.094 0.000 0.967 110 K CA -1.029 55.323 56.287 0.108 0.000 0.844 110 K CB 1.483 34.029 32.500 0.078 0.000 1.099 110 K HN -0.005 nan 8.250 nan 0.000 0.441 111 K N 3.828 124.294 120.400 0.110 0.000 2.416 111 K HA 0.063 4.392 4.320 0.015 0.000 0.283 111 K C 0.323 176.997 176.600 0.124 0.000 1.037 111 K CA 0.179 56.543 56.287 0.128 0.000 0.995 111 K CB 0.447 33.043 32.500 0.161 0.000 0.938 111 K HN 0.644 nan 8.250 nan 0.000 0.475 112 I N 2.537 123.186 120.570 0.132 0.000 4.187 112 I HA 0.205 4.384 4.170 0.015 0.000 0.326 112 I C -0.392 175.849 176.117 0.207 0.000 1.302 112 I CA 0.057 61.435 61.300 0.129 0.000 1.196 112 I CB 0.676 38.718 38.000 0.071 0.000 1.095 112 I HN 0.677 nan 8.210 nan 0.000 0.411 113 A N -0.388 122.574 122.820 0.237 0.000 2.604 113 A HA 0.729 5.058 4.320 0.015 0.000 0.295 113 A C -0.780 176.896 177.584 0.152 0.000 1.067 113 A CA -0.131 52.053 52.037 0.245 0.000 0.683 113 A CB 0.975 20.033 19.000 0.096 0.000 1.281 113 A HN 0.160 nan 8.150 nan 0.000 0.407 114 G N -0.418 108.325 108.800 -0.095 0.000 2.571 114 G HA2 0.635 4.604 3.960 0.015 0.000 0.304 114 G HA3 0.635 4.604 3.960 0.015 0.000 0.304 114 G C -1.490 173.177 174.900 -0.389 0.000 1.314 114 G CA -0.546 44.374 45.100 -0.299 0.000 0.975 114 G HN 1.161 nan 8.290 nan 0.000 0.485 115 V N 1.564 121.296 119.914 -0.303 0.000 2.495 115 V HA 0.658 4.787 4.120 0.015 0.000 0.298 115 V C -0.756 175.157 176.094 -0.303 0.000 1.031 115 V CA -0.787 61.339 62.300 -0.289 0.000 0.871 115 V CB 1.532 33.211 31.823 -0.240 0.000 0.988 115 V HN 0.709 nan 8.190 nan 0.000 0.432 116 L N 6.235 127.287 121.223 -0.286 0.000 2.404 116 L HA 0.704 5.053 4.340 0.015 0.000 0.272 116 L C -0.869 175.891 176.870 -0.183 0.000 0.980 116 L CA -0.079 54.620 54.840 -0.235 0.000 0.836 116 L CB 1.907 43.819 42.059 -0.245 0.000 1.238 116 L HN 0.419 nan 8.230 nan 0.000 0.408 117 V N 4.758 124.577 119.914 -0.158 0.000 2.370 117 V HA 0.526 4.655 4.120 0.015 0.000 0.279 117 V C -0.066 175.992 176.094 -0.060 0.000 1.029 117 V CA -0.491 61.740 62.300 -0.116 0.000 0.870 117 V CB 1.413 33.160 31.823 -0.125 0.000 0.984 117 V HN 0.768 nan 8.190 nan 0.000 0.451 118 E N 2.549 122.722 120.200 -0.045 0.000 2.212 118 E HA 0.648 5.007 4.350 0.015 0.000 0.268 118 E C -0.107 176.485 176.600 -0.013 0.000 0.902 118 E CA -0.658 55.731 56.400 -0.017 0.000 0.779 118 E CB 2.419 32.118 29.700 -0.001 0.000 1.172 118 E HN 0.809 nan 8.360 nan 0.000 0.409 119 G N 2.461 111.258 108.800 -0.006 0.000 2.468 119 G HA2 0.316 4.285 3.960 0.015 0.000 0.315 119 G HA3 0.316 4.285 3.960 0.015 0.000 0.315 119 G C -0.391 174.509 174.900 -0.002 0.000 1.203 119 G CA -0.240 44.860 45.100 -0.000 0.000 0.962 119 G HN 0.301 nan 8.290 nan 0.000 0.476 120 K N 1.349 121.750 120.400 0.001 0.000 2.617 120 K HA 0.629 4.957 4.320 0.015 0.000 0.298 120 K C 1.863 178.470 176.600 0.012 0.000 0.984 120 K CA 0.214 56.502 56.287 0.001 0.000 1.299 120 K CB 0.523 33.022 32.500 -0.003 0.000 1.608 120 K HN 0.360 nan 8.250 nan 0.000 0.730 121 G N -0.176 108.634 108.800 0.016 0.000 2.607 121 G HA2 -0.179 3.790 3.960 0.015 0.000 0.215 121 G HA3 -0.179 3.790 3.960 0.015 0.000 0.215 121 G C 0.674 175.593 174.900 0.033 0.000 1.275 121 G CA 1.112 46.226 45.100 0.023 0.000 0.842 121 G HN 0.682 nan 8.290 nan 0.000 0.555 122 D N -1.076 119.346 120.400 0.038 0.000 2.398 122 D HA 0.138 4.787 4.640 0.015 0.000 0.210 122 D C 0.641 176.972 176.300 0.052 0.000 1.094 122 D CA -0.095 53.933 54.000 0.048 0.000 0.839 122 D CB 0.201 41.029 40.800 0.047 0.000 0.963 122 D HN 0.190 nan 8.370 nan 0.000 0.506 123 K N 0.910 121.333 120.400 0.040 0.000 2.274 123 K HA 0.370 4.699 4.320 0.015 0.000 0.262 123 K C -1.238 175.373 176.600 0.019 0.000 0.961 123 K CA -0.676 55.630 56.287 0.032 0.000 0.833 123 K CB 0.933 33.447 32.500 0.025 0.000 1.102 123 K HN -0.093 nan 8.250 nan 0.000 0.436 124 I N 4.514 125.091 120.570 0.012 0.000 2.465 124 I HA 0.281 4.460 4.170 0.015 0.000 0.291 124 I C -0.558 175.538 176.117 -0.035 0.000 1.014 124 I CA -0.961 60.335 61.300 -0.007 0.000 1.093 124 I CB 1.831 39.832 38.000 0.001 0.000 1.267 124 I HN 0.359 nan 8.210 nan 0.000 0.431 125 V N 6.624 126.512 119.914 -0.042 0.000 2.347 125 V HA 0.308 4.437 4.120 0.015 0.000 0.280 125 V C -0.238 175.808 176.094 -0.082 0.000 1.021 125 V CA -0.717 61.551 62.300 -0.053 0.000 0.847 125 V CB 1.973 33.774 31.823 -0.036 0.000 0.990 125 V HN 0.442 nan 8.190 nan 0.000 0.444 126 L N 6.006 127.166 121.223 -0.105 0.000 2.272 126 L HA 0.793 5.142 4.340 0.015 0.000 0.284 126 L C 0.506 177.300 176.870 -0.126 0.000 1.045 126 L CA 0.159 54.919 54.840 -0.134 0.000 0.842 126 L CB 0.636 42.596 42.059 -0.165 0.000 1.224 126 L HN 0.633 nan 8.230 nan 0.000 0.430 127 G N 6.018 114.730 108.800 -0.148 0.000 2.348 127 G HA2 0.650 4.619 3.960 0.015 0.000 0.312 127 G HA3 0.650 4.619 3.960 0.015 0.000 0.312 127 G C -0.881 173.900 174.900 -0.198 0.000 1.126 127 G CA -0.447 44.554 45.100 -0.164 0.000 0.865 127 G HN 0.595 nan 8.290 nan 0.000 0.474 128 I N 1.235 121.709 120.570 -0.161 0.000 2.534 128 I HA 0.469 4.648 4.170 0.015 0.000 0.288 128 I C 0.194 176.253 176.117 -0.096 0.000 1.077 128 I CA -0.851 60.352 61.300 -0.161 0.000 1.051 128 I CB 2.684 40.620 38.000 -0.107 0.000 1.234 128 I HN 0.602 nan 8.210 nan 0.000 0.425 129 G N 6.255 114.957 108.800 -0.164 0.000 2.574 129 G HA2 0.638 4.607 3.960 0.015 0.000 0.306 129 G HA3 0.638 4.607 3.960 0.015 0.000 0.306 129 G C -1.662 173.436 174.900 0.330 0.000 1.334 129 G CA -0.352 44.867 45.100 0.199 0.000 0.954 129 G HN 0.369 nan 8.290 nan 0.000 0.500 130 L N 2.362 123.716 121.223 0.218 0.000 2.376 130 L HA 0.509 4.858 4.340 0.015 0.000 0.275 130 L C -0.848 175.997 176.870 -0.042 0.000 0.987 130 L CA -1.107 53.790 54.840 0.095 0.000 0.828 130 L CB 1.569 43.600 42.059 -0.048 0.000 1.249 130 L HN 0.348 nan 8.230 nan 0.000 0.409 131 N N 4.206 122.983 118.700 0.127 0.000 2.431 131 N HA 0.186 4.935 4.740 0.015 0.000 0.265 131 N C 0.434 175.909 175.510 -0.059 0.000 1.184 131 N CA -0.027 53.061 53.050 0.063 0.000 0.943 131 N CB 1.865 40.435 38.487 0.138 0.000 1.080 131 N HN 0.553 nan 8.380 nan 0.000 0.477 132 V N 2.507 122.338 119.914 -0.139 0.000 2.988 132 V HA 0.078 4.207 4.120 0.015 0.000 0.223 132 V C 1.291 177.331 176.094 -0.090 0.000 1.144 132 V CA 0.528 62.739 62.300 -0.148 0.000 1.242 132 V CB -0.001 31.695 31.823 -0.211 0.000 1.073 132 V HN 0.583 nan 8.190 nan 0.000 0.508 133 N N 0.958 119.610 118.700 -0.080 0.000 2.184 133 N HA 0.088 4.837 4.740 0.015 0.000 0.206 133 N C 0.176 175.685 175.510 -0.003 0.000 1.151 133 N CA -0.075 52.952 53.050 -0.038 0.000 0.878 133 N CB 0.058 38.522 38.487 -0.038 0.000 1.014 133 N HN 0.642 nan 8.380 nan 0.000 0.512 134 N N 1.314 120.025 118.700 0.019 0.000 2.444 134 N HA 0.039 4.788 4.740 0.015 0.000 0.255 134 N C -0.114 175.431 175.510 0.058 0.000 1.255 134 N CA 0.133 53.229 53.050 0.076 0.000 0.933 134 N CB 1.323 39.927 38.487 0.196 0.000 1.143 134 N HN -0.113 nan 8.380 nan 0.000 0.453 135 K N -0.098 120.331 120.400 0.048 0.000 2.295 135 K HA 0.254 4.583 4.320 0.015 0.000 0.270 135 K C 0.041 176.648 176.600 0.012 0.000 1.011 135 K CA -0.583 55.716 56.287 0.020 0.000 0.953 135 K CB 0.910 33.415 32.500 0.007 0.000 0.956 135 K HN 0.567 nan 8.250 nan 0.000 0.477 136 V N -0.819 119.088 119.914 -0.012 0.000 3.074 136 V HA 0.576 4.705 4.120 0.015 0.000 0.314 136 V C -2.403 173.650 176.094 -0.069 0.000 1.117 136 V CA -2.179 60.092 62.300 -0.048 0.000 1.014 136 V CB 1.342 33.147 31.823 -0.029 0.000 1.057 136 V HN 0.712 nan 8.190 nan 0.000 0.438 137 P HA 0.250 nan 4.420 nan 0.000 0.272 137 P C -0.580 176.685 177.300 -0.058 0.000 1.223 137 P CA -0.324 62.719 63.100 -0.094 0.000 0.784 137 P CB 0.264 31.882 31.700 -0.136 0.000 0.923 138 N N 0.553 119.229 118.700 -0.040 0.000 2.292 138 N HA 0.135 4.884 4.740 0.015 0.000 0.258 138 N C 1.649 177.151 175.510 -0.013 0.000 1.261 138 N CA 1.683 54.720 53.050 -0.021 0.000 0.845 138 N CB -0.340 38.137 38.487 -0.016 0.000 1.064 138 N HN 0.823 nan 8.380 nan 0.000 0.471 139 G N -0.776 108.025 108.800 0.002 0.000 2.234 139 G HA2 -0.202 3.767 3.960 0.015 0.000 0.235 139 G HA3 -0.202 3.767 3.960 0.015 0.000 0.235 139 G C 0.284 175.200 174.900 0.027 0.000 0.997 139 G CA 0.379 45.490 45.100 0.019 0.000 0.623 139 G HN 0.932 nan 8.290 nan 0.000 0.514 140 A N -0.918 121.906 122.820 0.007 0.000 2.239 140 A HA 0.933 5.262 4.320 0.015 0.000 0.303 140 A C 0.394 177.990 177.584 0.021 0.000 1.114 140 A CA 0.940 52.984 52.037 0.012 0.000 0.871 140 A CB 1.336 20.317 19.000 -0.033 0.000 1.201 140 A HN 1.302 nan 8.150 nan 0.000 0.506 141 T N -1.445 113.128 114.554 0.032 0.000 2.816 141 T HA 0.647 5.006 4.350 0.015 0.000 0.299 141 T C -0.736 173.985 174.700 0.034 0.000 1.230 141 T CA 0.186 62.304 62.100 0.030 0.000 1.007 141 T CB 1.238 70.127 68.868 0.035 0.000 1.289 141 T HN 1.737 nan 8.240 nan 0.000 0.508 142 S N 1.367 117.081 115.700 0.022 0.000 2.627 142 S HA 0.496 4.975 4.470 0.015 0.000 0.283 142 S C 1.253 175.849 174.600 -0.006 0.000 1.127 142 S CA -0.908 57.300 58.200 0.012 0.000 0.863 142 S CB 1.361 64.566 63.200 0.008 0.000 1.121 142 S HN 0.740 nan 8.310 nan 0.000 0.479 143 M N 1.186 120.764 119.600 -0.035 0.000 2.149 143 M HA -0.076 4.413 4.480 0.015 0.000 0.261 143 M C 2.288 178.571 176.300 -0.029 0.000 1.064 143 M CA 1.748 57.017 55.300 -0.051 0.000 1.102 143 M CB -0.517 32.004 32.600 -0.133 0.000 1.369 143 M HN 0.885 nan 8.290 nan 0.000 0.408 144 K N 1.172 121.554 120.400 -0.031 0.000 2.057 144 K HA -0.142 4.187 4.320 0.015 0.000 0.207 144 K C 1.751 178.351 176.600 0.000 0.000 1.049 144 K CA 1.278 57.556 56.287 -0.014 0.000 0.931 144 K CB -0.112 32.378 32.500 -0.016 0.000 0.714 144 K HN 0.306 nan 8.250 nan 0.000 0.440 145 L N 0.833 122.057 121.223 0.002 0.000 2.093 145 L HA -0.137 4.212 4.340 0.015 0.000 0.208 145 L C 2.477 179.354 176.870 0.012 0.000 1.085 145 L CA 0.880 55.725 54.840 0.008 0.000 0.755 145 L CB -0.324 41.741 42.059 0.010 0.000 0.904 145 L HN 0.212 nan 8.230 nan 0.000 0.435 146 E N 0.262 120.470 120.200 0.013 0.000 2.072 146 E HA -0.112 4.247 4.350 0.015 0.000 0.190 146 E C 2.272 178.886 176.600 0.023 0.000 0.982 146 E CA 1.118 57.529 56.400 0.018 0.000 0.803 146 E CB -0.101 29.611 29.700 0.019 0.000 0.755 146 E HN 0.482 nan 8.360 nan 0.000 0.453 147 L N -0.607 120.631 121.223 0.024 0.000 2.446 147 L HA 0.116 4.465 4.340 0.015 0.000 0.219 147 L C 1.457 178.342 176.870 0.026 0.000 1.116 147 L CA 0.532 55.392 54.840 0.033 0.000 0.844 147 L CB -0.187 41.901 42.059 0.048 0.000 0.970 147 L HN 0.250 nan 8.230 nan 0.000 0.457 148 G N 0.179 108.991 108.800 0.019 0.000 2.162 148 G HA2 -0.299 3.670 3.960 0.015 0.000 0.260 148 G HA3 -0.299 3.670 3.960 0.015 0.000 0.260 148 G C 0.253 175.162 174.900 0.015 0.000 0.976 148 G CA 0.504 45.614 45.100 0.016 0.000 0.655 148 G HN 0.407 nan 8.290 nan 0.000 0.533 149 S N -1.205 114.505 115.700 0.018 0.000 2.579 149 S HA 0.584 5.063 4.470 0.015 0.000 0.272 149 S C -0.456 174.152 174.600 0.014 0.000 1.141 149 S CA 0.172 58.383 58.200 0.018 0.000 0.843 149 S CB 1.832 65.048 63.200 0.026 0.000 1.122 149 S HN 0.607 nan 8.310 nan 0.000 0.468 150 E N 1.290 121.496 120.200 0.010 0.000 2.383 150 E HA 0.499 4.858 4.350 0.015 0.000 0.264 150 E C -1.166 175.439 176.600 0.008 0.000 1.050 150 E CA -0.410 55.990 56.400 0.000 0.000 0.896 150 E CB 0.821 30.521 29.700 -0.000 0.000 0.982 150 E HN 0.418 nan 8.360 nan 0.000 0.424 151 V N 5.717 125.621 119.914 -0.017 0.000 2.495 151 V HA 0.316 4.445 4.120 0.015 0.000 0.298 151 V C -2.281 173.798 176.094 -0.025 0.000 1.031 151 V CA -2.094 60.199 62.300 -0.011 0.000 0.871 151 V CB 1.539 33.296 31.823 -0.111 0.000 0.988 151 V HN 0.777 nan 8.190 nan 0.000 0.432 152 P HA 0.047 nan 4.420 nan 0.000 0.260 152 P C 0.654 177.945 177.300 -0.016 0.000 1.207 152 P CA -0.038 63.072 63.100 0.017 0.000 0.780 152 P CB 0.566 32.302 31.700 0.060 0.000 0.789 153 L N 5.284 126.478 121.223 -0.048 0.000 2.042 153 L HA -0.182 4.167 4.340 0.015 0.000 0.210 153 L C 1.792 178.651 176.870 -0.019 0.000 1.076 153 L CA 1.858 56.654 54.840 -0.073 0.000 0.749 153 L CB -1.148 40.856 42.059 -0.091 0.000 0.893 153 L HN 0.289 nan 8.230 nan 0.000 0.432 154 L N -1.369 119.849 121.223 -0.007 0.000 2.131 154 L HA -0.145 4.204 4.340 0.015 0.000 0.210 154 L C 2.445 179.395 176.870 0.133 0.000 1.092 154 L CA 1.801 56.661 54.840 0.034 0.000 0.759 154 L CB -0.782 41.264 42.059 -0.021 0.000 0.903 154 L HN 0.270 nan 8.230 nan 0.000 0.435 155 S N -1.393 114.380 115.700 0.121 0.000 2.383 155 S HA -0.109 4.370 4.470 0.015 0.000 0.227 155 S C 1.953 176.697 174.600 0.240 0.000 1.026 155 S CA 1.240 59.560 58.200 0.199 0.000 0.981 155 S CB -0.264 63.096 63.200 0.267 0.000 0.818 155 S HN 0.338 nan 8.310 nan 0.000 0.472 156 V N 1.341 121.310 119.914 0.092 0.000 2.358 156 V HA -0.139 3.990 4.120 0.015 0.000 0.246 156 V C 1.843 177.963 176.094 0.043 0.000 1.047 156 V CA 1.653 63.921 62.300 -0.054 0.000 1.035 156 V CB -0.748 30.909 31.823 -0.277 0.000 0.658 156 V HN 0.501 nan 8.190 nan 0.000 0.452 157 F N 1.477 121.396 119.950 -0.051 0.000 2.069 157 F HA -0.199 4.335 4.527 0.013 0.000 0.298 157 F C 2.627 178.426 175.800 -0.001 0.000 1.113 157 F CA 1.871 59.849 58.000 -0.037 0.000 1.214 157 F CB -0.298 38.677 39.000 -0.041 0.000 0.978 157 F HN -0.055 nan 8.300 nan 0.000 0.474 158 R N -0.304 120.281 120.500 0.141 0.000 2.083 158 R HA -0.192 4.157 4.340 0.015 0.000 0.237 158 R C 2.624 178.899 176.300 -0.041 0.000 1.137 158 R CA 1.591 57.715 56.100 0.040 0.000 0.951 158 R CB -1.010 29.368 30.300 0.130 0.000 0.851 158 R HN 0.368 nan 8.270 nan 0.000 0.434 159 S N 0.889 116.612 115.700 0.038 0.000 2.353 159 S HA -0.151 4.328 4.470 0.015 0.000 0.222 159 S C 1.924 176.509 174.600 -0.025 0.000 1.035 159 S CA 1.229 59.461 58.200 0.053 0.000 1.025 159 S CB -0.235 63.092 63.200 0.212 0.000 0.902 159 S HN 0.227 nan 8.310 nan 0.000 0.440 160 L N 1.841 123.019 121.223 -0.076 0.000 1.989 160 L HA -0.025 4.324 4.340 0.015 0.000 0.211 160 L C 2.160 178.918 176.870 -0.185 0.000 1.071 160 L CA 1.749 56.514 54.840 -0.123 0.000 0.749 160 L CB -0.764 41.203 42.059 -0.152 0.000 0.890 160 L HN 0.343 nan 8.230 nan 0.000 0.431 161 I N -0.626 119.743 120.570 -0.335 0.000 2.208 161 I HA -0.289 3.890 4.170 0.015 0.000 0.245 161 I C 2.375 178.394 176.117 -0.163 0.000 1.097 161 I CA 1.732 62.833 61.300 -0.332 0.000 1.363 161 I CB -1.835 35.831 38.000 -0.556 0.000 1.051 161 I HN 0.318 nan 8.210 nan 0.000 0.413 162 T N 1.396 115.879 114.554 -0.119 0.000 2.708 162 T HA -0.131 4.228 4.350 0.015 0.000 0.266 162 T C 1.757 176.440 174.700 -0.029 0.000 1.037 162 T CA 1.354 63.424 62.100 -0.051 0.000 1.146 162 T CB -0.203 68.648 68.868 -0.029 0.000 0.865 162 T HN 0.294 nan 8.240 nan 0.000 0.435 163 N N 1.298 119.978 118.700 -0.033 0.000 2.084 163 N HA 0.026 4.775 4.740 0.015 0.000 0.190 163 N C 1.955 177.462 175.510 -0.005 0.000 1.030 163 N CA 0.903 53.946 53.050 -0.012 0.000 0.849 163 N CB -0.552 37.929 38.487 -0.010 0.000 1.012 163 N HN 0.340 nan 8.380 nan 0.000 0.423 164 L N 0.713 121.917 121.223 -0.032 0.000 2.042 164 L HA -0.191 4.158 4.340 0.015 0.000 0.210 164 L C 2.110 179.002 176.870 0.038 0.000 1.076 164 L CA 1.262 56.089 54.840 -0.021 0.000 0.749 164 L CB -0.497 41.514 42.059 -0.079 0.000 0.893 164 L HN 0.102 nan 8.230 nan 0.000 0.432 165 D N 0.075 120.490 120.400 0.026 0.000 2.092 165 D HA -0.237 4.412 4.640 0.015 0.000 0.193 165 D C 2.340 178.706 176.300 0.110 0.000 0.994 165 D CA 1.306 55.356 54.000 0.083 0.000 0.828 165 D CB 0.045 40.870 40.800 0.043 0.000 0.963 165 D HN 0.046 nan 8.370 nan 0.000 0.450 166 R N -0.254 120.285 120.500 0.065 0.000 2.083 166 R HA -0.111 4.238 4.340 0.015 0.000 0.237 166 R C 2.498 178.846 176.300 0.081 0.000 1.137 166 R CA 1.199 57.334 56.100 0.059 0.000 0.951 166 R CB -0.399 29.923 30.300 0.036 0.000 0.851 166 R HN 0.265 nan 8.270 nan 0.000 0.434 167 L N -0.399 120.877 121.223 0.088 0.000 2.042 167 L HA -0.222 4.127 4.340 0.015 0.000 0.210 167 L C 2.461 179.441 176.870 0.183 0.000 1.076 167 L CA 1.338 56.244 54.840 0.109 0.000 0.749 167 L CB -0.625 41.481 42.059 0.079 0.000 0.893 167 L HN 0.276 nan 8.230 nan 0.000 0.432 168 Y N 0.090 120.421 120.300 0.051 0.000 2.163 168 Y HA -0.223 4.336 4.550 0.015 0.000 0.288 168 Y C 2.374 178.363 175.900 0.149 0.000 1.136 168 Y CA 1.244 59.399 58.100 0.091 0.000 1.147 168 Y CB -0.168 38.316 38.460 0.039 0.000 0.987 168 Y HN -0.065 nan 8.280 nan 0.000 0.509 169 L N 0.613 121.860 121.223 0.040 0.000 2.042 169 L HA -0.277 4.072 4.340 0.015 0.000 0.210 169 L C 2.139 178.979 176.870 -0.051 0.000 1.076 169 L CA 2.262 57.068 54.840 -0.057 0.000 0.749 169 L CB -1.671 40.397 42.059 0.014 0.000 0.893 169 L HN 0.370 nan 8.230 nan 0.000 0.432 170 N N -0.190 118.523 118.700 0.022 0.000 2.270 170 N HA -0.222 4.527 4.740 0.015 0.000 0.181 170 N C 1.853 177.386 175.510 0.038 0.000 1.016 170 N CA 0.874 53.939 53.050 0.025 0.000 0.870 170 N CB -0.247 38.270 38.487 0.051 0.000 0.979 170 N HN 0.245 nan 8.380 nan 0.000 0.431 171 F N 0.905 120.812 119.950 -0.072 0.000 2.134 171 F HA -0.068 4.469 4.527 0.016 0.000 0.299 171 F C 1.772 177.502 175.800 -0.117 0.000 1.097 171 F CA 1.165 59.129 58.000 -0.060 0.000 1.264 171 F CB -0.130 38.868 39.000 -0.004 0.000 1.001 171 F HN 0.033 nan 8.300 nan 0.000 0.479 172 L N 0.192 121.289 121.223 -0.210 0.000 2.079 172 L HA -0.241 4.108 4.340 0.015 0.000 0.210 172 L C 2.276 178.993 176.870 -0.255 0.000 1.081 172 L CA 1.664 56.321 54.840 -0.305 0.000 0.752 172 L CB -0.647 41.238 42.059 -0.291 0.000 0.896 172 L HN 0.171 nan 8.230 nan 0.000 0.433 173 K N -0.414 119.878 120.400 -0.180 0.000 2.166 173 K HA 0.065 4.394 4.320 0.015 0.000 0.201 173 K C 0.198 176.713 176.600 -0.142 0.000 1.052 173 K CA 0.588 56.794 56.287 -0.134 0.000 0.969 173 K CB 0.222 32.672 32.500 -0.084 0.000 0.761 173 K HN 0.282 nan 8.250 nan 0.000 0.459 174 N N 1.039 119.650 118.700 -0.147 0.000 2.727 174 N HA 0.148 4.897 4.740 0.015 0.000 0.252 174 N C -2.618 172.797 175.510 -0.159 0.000 1.283 174 N CA -1.055 51.918 53.050 -0.127 0.000 0.782 174 N CB 1.651 40.102 38.487 -0.060 0.000 1.199 174 N HN -0.155 nan 8.380 nan 0.000 0.520 175 P HA -0.043 nan 4.420 nan 0.000 0.221 175 P C 1.447 178.721 177.300 -0.042 0.000 1.145 175 P CA 1.015 63.862 63.100 -0.423 0.000 0.795 175 P CB 0.335 31.701 31.700 -0.556 0.000 0.775 176 M N -1.560 118.012 119.600 -0.047 0.000 2.447 176 M HA -0.031 4.458 4.480 0.015 0.000 0.264 176 M C 1.142 177.463 176.300 0.035 0.000 1.095 176 M CA 1.192 56.490 55.300 -0.003 0.000 1.125 176 M CB -1.341 31.233 32.600 -0.043 0.000 1.389 176 M HN -0.089 nan 8.290 nan 0.000 0.459 177 D N 1.079 121.502 120.400 0.039 0.000 2.133 177 D HA -0.185 4.464 4.640 0.015 0.000 0.195 177 D C 1.798 178.141 176.300 0.072 0.000 0.997 177 D CA 1.046 55.075 54.000 0.048 0.000 0.840 177 D CB -0.256 40.572 40.800 0.048 0.000 0.947 177 D HN 0.265 nan 8.370 nan 0.000 0.452 178 I N 0.304 120.956 120.570 0.137 0.000 2.454 178 I HA -0.163 4.016 4.170 0.015 0.000 0.254 178 I C 1.802 177.942 176.117 0.039 0.000 1.156 178 I CA 0.928 62.303 61.300 0.125 0.000 1.433 178 I CB -0.075 38.057 38.000 0.220 0.000 1.082 178 I HN 0.022 nan 8.210 nan 0.000 0.432 179 L N 0.210 121.448 121.223 0.025 0.000 2.131 179 L HA -0.206 4.143 4.340 0.015 0.000 0.210 179 L C 2.207 179.038 176.870 -0.064 0.000 1.092 179 L CA 1.061 55.861 54.840 -0.067 0.000 0.759 179 L CB -0.977 41.068 42.059 -0.023 0.000 0.903 179 L HN 0.331 nan 8.230 nan 0.000 0.435 180 N N 0.292 118.979 118.700 -0.022 0.000 2.142 180 N HA -0.109 4.640 4.740 0.015 0.000 0.186 180 N C 1.976 177.474 175.510 -0.021 0.000 1.023 180 N CA 1.186 54.225 53.050 -0.017 0.000 0.852 180 N CB -0.155 38.331 38.487 -0.003 0.000 0.998 180 N HN 0.332 nan 8.380 nan 0.000 0.424 181 L N 0.611 121.827 121.223 -0.013 0.000 2.093 181 L HA -0.078 4.271 4.340 0.015 0.000 0.208 181 L C 2.279 179.132 176.870 -0.029 0.000 1.085 181 L CA 0.576 55.411 54.840 -0.008 0.000 0.755 181 L CB -0.390 41.677 42.059 0.013 0.000 0.904 181 L HN -0.056 nan 8.230 nan 0.000 0.435 182 V N -0.132 119.737 119.914 -0.075 0.000 2.295 182 V HA -0.265 3.864 4.120 0.015 0.000 0.246 182 V C 2.625 178.669 176.094 -0.083 0.000 1.049 182 V CA 1.689 63.911 62.300 -0.129 0.000 1.024 182 V CB -0.621 30.971 31.823 -0.386 0.000 0.648 182 V HN 0.403 nan 8.190 nan 0.000 0.447 183 R N 0.229 120.683 120.500 -0.077 0.000 2.091 183 R HA -0.176 4.173 4.340 0.015 0.000 0.238 183 R C 1.957 178.248 176.300 -0.014 0.000 1.136 183 R CA 1.812 57.889 56.100 -0.037 0.000 0.959 183 R CB -0.502 29.780 30.300 -0.029 0.000 0.856 183 R HN 0.552 nan 8.270 nan 0.000 0.437 184 D N -0.164 120.228 120.400 -0.013 0.000 2.348 184 D HA -0.066 4.583 4.640 0.015 0.000 0.216 184 D C 0.787 177.086 176.300 -0.002 0.000 0.970 184 D CA 0.856 54.853 54.000 -0.004 0.000 0.889 184 D CB -0.048 40.751 40.800 -0.003 0.000 0.912 184 D HN 0.248 nan 8.370 nan 0.000 0.524 185 N N -0.321 118.378 118.700 -0.002 0.000 2.159 185 N HA 0.080 4.829 4.740 0.015 0.000 0.217 185 N C 0.156 175.673 175.510 0.011 0.000 1.223 185 N CA -0.118 52.934 53.050 0.003 0.000 0.896 185 N CB 1.432 39.922 38.487 0.005 0.000 1.064 185 N HN 0.221 nan 8.380 nan 0.000 0.518 186 M N 1.178 120.791 119.600 0.021 0.000 2.367 186 M HA 0.391 4.880 4.480 0.015 0.000 0.339 186 M C -0.624 175.713 176.300 0.061 0.000 1.177 186 M CA -0.492 54.842 55.300 0.057 0.000 1.068 186 M CB 1.450 34.096 32.600 0.076 0.000 1.602 186 M HN -0.163 nan 8.290 nan 0.000 0.457 187 I N 5.735 126.361 120.570 0.094 0.000 2.494 187 I HA 0.127 4.306 4.170 0.015 0.000 0.289 187 I C -0.676 175.539 176.117 0.163 0.000 1.106 187 I CA 0.172 61.521 61.300 0.081 0.000 1.369 187 I CB -0.149 37.884 38.000 0.055 0.000 1.410 187 I HN 0.613 nan 8.210 nan 0.000 0.523 188 L N 4.384 125.673 121.223 0.109 0.000 2.277 188 L HA 0.652 5.001 4.340 0.015 0.000 0.254 188 L C 1.028 177.956 176.870 0.097 0.000 1.044 188 L CA -0.801 54.106 54.840 0.111 0.000 0.842 188 L CB 1.722 43.823 42.059 0.069 0.000 1.422 188 L HN 0.707 nan 8.230 nan 0.000 0.422 189 G N 0.511 109.363 108.800 0.087 0.000 2.153 189 G HA2 -0.181 3.788 3.960 0.015 0.000 0.252 189 G HA3 -0.181 3.788 3.960 0.015 0.000 0.252 189 G C -0.242 174.712 174.900 0.090 0.000 0.994 189 G CA 0.336 45.480 45.100 0.073 0.000 0.698 189 G HN 0.705 nan 8.290 nan 0.000 0.521 190 V N -3.887 116.107 119.914 0.135 0.000 3.046 190 V HA 0.845 4.974 4.120 0.015 0.000 0.316 190 V C 0.537 176.739 176.094 0.180 0.000 1.104 190 V CA -1.725 60.668 62.300 0.155 0.000 1.006 190 V CB 1.694 33.633 31.823 0.194 0.000 1.058 190 V HN 0.347 nan 8.190 nan 0.000 0.440 191 R N 0.869 121.464 120.500 0.160 0.000 2.347 191 R HA 0.641 4.990 4.340 0.015 0.000 0.304 191 R C -0.478 175.931 176.300 0.181 0.000 1.072 191 R CA 0.071 56.253 56.100 0.137 0.000 0.980 191 R CB 1.072 31.428 30.300 0.093 0.000 0.986 191 R HN 1.021 nan 8.270 nan 0.000 0.448 192 V N 0.471 120.447 119.914 0.102 0.000 3.102 192 V HA 0.641 4.770 4.120 0.015 0.000 0.312 192 V C -1.166 174.896 176.094 -0.053 0.000 1.135 192 V CA -1.085 61.222 62.300 0.013 0.000 1.022 192 V CB 2.057 33.833 31.823 -0.079 0.000 1.056 192 V HN 0.717 nan 8.190 nan 0.000 0.436 193 K N 2.636 122.967 120.400 -0.115 0.000 2.376 193 K HA 0.668 4.997 4.320 0.015 0.000 0.257 193 K C -1.326 175.120 176.600 -0.257 0.000 0.939 193 K CA -0.721 55.469 56.287 -0.162 0.000 0.809 193 K CB 1.552 33.996 32.500 -0.093 0.000 1.121 193 K HN 0.733 nan 8.250 nan 0.000 0.425 194 I N 5.665 125.948 120.570 -0.478 0.000 2.331 194 I HA 0.272 4.451 4.170 0.015 0.000 0.292 194 I C -0.744 175.141 176.117 -0.387 0.000 0.998 194 I CA -0.897 60.093 61.300 -0.516 0.000 1.267 194 I CB 0.931 38.352 38.000 -0.966 0.000 1.386 194 I HN 0.542 nan 8.210 nan 0.000 0.476 195 L N 6.324 127.440 121.223 -0.177 0.000 2.305 195 L HA 0.799 5.148 4.340 0.015 0.000 0.284 195 L C 0.636 177.490 176.870 -0.028 0.000 1.013 195 L CA 0.219 55.006 54.840 -0.090 0.000 0.819 195 L CB 1.456 43.485 42.059 -0.049 0.000 1.227 195 L HN 0.812 nan 8.230 nan 0.000 0.417 196 G N 0.959 109.757 108.800 -0.003 0.000 3.508 196 G HA2 0.067 4.036 3.960 0.015 0.000 0.172 196 G HA3 0.067 4.036 3.960 0.015 0.000 0.172 196 G C -1.000 173.925 174.900 0.041 0.000 1.231 196 G CA -0.247 44.875 45.100 0.037 0.000 1.218 196 G HN 0.383 nan 8.290 nan 0.000 0.709 197 D N 1.438 121.874 120.400 0.060 0.000 2.508 197 D HA 0.470 5.119 4.640 0.015 0.000 0.224 197 D C 1.037 177.375 176.300 0.063 0.000 1.171 197 D CA 1.336 55.367 54.000 0.052 0.000 1.006 197 D CB -0.265 40.566 40.800 0.051 0.000 1.073 197 D HN 0.990 nan 8.370 nan 0.000 0.513 198 G N 2.017 110.846 108.800 0.048 0.000 2.826 198 G HA2 -0.083 3.886 3.960 0.015 0.000 0.233 198 G HA3 -0.083 3.886 3.960 0.015 0.000 0.233 198 G C -0.393 174.533 174.900 0.043 0.000 1.296 198 G CA 0.203 45.334 45.100 0.052 0.000 1.001 198 G HN 1.376 nan 8.290 nan 0.000 0.576 199 S N -1.343 114.404 115.700 0.080 0.000 2.718 199 S HA 0.724 5.203 4.470 0.015 0.000 0.271 199 S C -1.028 173.653 174.600 0.136 0.000 0.999 199 S CA 0.272 58.476 58.200 0.008 0.000 0.899 199 S CB 0.921 64.092 63.200 -0.048 0.000 1.148 199 S HN 2.546 nan 8.310 nan 0.000 0.463 200 F N -1.234 118.719 119.950 0.004 0.000 2.719 200 F HA 0.875 5.411 4.527 0.016 0.000 0.309 200 F C -1.180 174.619 175.800 -0.002 0.000 1.138 200 F CA -0.893 57.107 58.000 -0.000 0.000 0.943 200 F CB 0.834 39.831 39.000 -0.005 0.000 1.304 200 F HN 0.764 nan 8.300 nan 0.000 0.445 201 E N 0.461 120.793 120.200 0.221 0.000 2.235 201 E HA 0.807 5.166 4.350 0.015 0.000 0.265 201 E C -0.366 176.352 176.600 0.197 0.000 0.940 201 E CA -1.204 55.268 56.400 0.120 0.000 0.819 201 E CB 2.337 32.081 29.700 0.073 0.000 1.206 201 E HN 1.122 nan 8.360 nan 0.000 0.409 202 G N 0.781 109.658 108.800 0.128 0.000 2.322 202 G HA2 0.232 4.201 3.960 0.015 0.000 0.295 202 G HA3 0.232 4.201 3.960 0.015 0.000 0.295 202 G C -1.572 173.381 174.900 0.087 0.000 1.369 202 G CA -0.891 44.281 45.100 0.119 0.000 0.821 202 G HN 0.275 nan 8.290 nan 0.000 0.536 203 I N 1.447 122.061 120.570 0.073 0.000 2.371 203 I HA 0.475 4.654 4.170 0.015 0.000 0.290 203 I C 1.065 177.216 176.117 0.058 0.000 1.028 203 I CA -0.600 60.741 61.300 0.069 0.000 1.345 203 I CB 0.924 38.957 38.000 0.055 0.000 1.407 203 I HN 0.701 nan 8.210 nan 0.000 0.501 204 A N 5.838 128.699 122.820 0.068 0.000 2.437 204 A HA 0.258 4.587 4.320 0.015 0.000 0.303 204 A C 1.014 178.623 177.584 0.041 0.000 1.324 204 A CA -0.257 51.802 52.037 0.037 0.000 0.983 204 A CB -0.163 18.875 19.000 0.064 0.000 1.142 204 A HN 0.811 nan 8.150 nan 0.000 0.541 205 E N 0.810 121.021 120.200 0.018 0.000 2.190 205 E HA 0.091 4.450 4.350 0.015 0.000 0.191 205 E C 0.059 176.668 176.600 0.014 0.000 0.978 205 E CA 0.935 57.348 56.400 0.020 0.000 0.839 205 E CB 0.329 30.039 29.700 0.015 0.000 0.787 205 E HN 0.853 nan 8.360 nan 0.000 0.473 206 D N -1.743 118.655 120.400 -0.003 0.000 2.913 206 D HA 0.091 4.740 4.640 0.015 0.000 0.293 206 D C -1.661 174.627 176.300 -0.020 0.000 1.238 206 D CA -0.625 53.373 54.000 -0.002 0.000 0.738 206 D CB 0.421 41.225 40.800 0.006 0.000 1.254 206 D HN -0.009 nan 8.370 nan 0.000 0.429 207 I N -0.619 119.949 120.570 -0.004 0.000 2.525 207 I HA 0.683 4.862 4.170 0.015 0.000 0.301 207 I C 0.028 176.175 176.117 0.050 0.000 0.992 207 I CA -0.821 60.492 61.300 0.020 0.000 1.162 207 I CB 1.527 39.547 38.000 0.032 0.000 1.332 207 I HN 0.286 nan 8.210 nan 0.000 0.458 208 D N 3.127 123.587 120.400 0.100 0.000 2.478 208 D HA 0.032 4.681 4.640 0.015 0.000 0.274 208 D C 0.656 177.052 176.300 0.161 0.000 1.234 208 D CA -0.361 53.716 54.000 0.127 0.000 1.069 208 D CB 0.269 41.161 40.800 0.154 0.000 1.113 208 D HN 0.733 nan 8.370 nan 0.000 0.571 209 D N -1.229 119.277 120.400 0.176 0.000 2.403 209 D HA -0.151 4.498 4.640 0.015 0.000 0.227 209 D C 0.624 176.921 176.300 -0.005 0.000 0.995 209 D CA 0.429 54.477 54.000 0.081 0.000 0.928 209 D CB -0.439 40.385 40.800 0.040 0.000 0.887 209 D HN 0.298 nan 8.370 nan 0.000 0.529 210 F N -0.515 119.511 119.950 0.127 0.000 2.706 210 F HA 0.364 4.900 4.527 0.014 0.000 0.313 210 F C 1.970 177.938 175.800 0.280 0.000 1.096 210 F CA 0.097 58.200 58.000 0.171 0.000 1.219 210 F CB 1.086 40.166 39.000 0.134 0.000 1.051 210 F HN 0.142 nan 8.300 nan 0.000 0.568 211 G N 1.005 110.058 108.800 0.422 0.000 2.176 211 G HA2 -0.290 3.679 3.960 0.015 0.000 0.253 211 G HA3 -0.290 3.679 3.960 0.015 0.000 0.253 211 G C 0.477 175.758 174.900 0.635 0.000 0.979 211 G CA -0.454 44.974 45.100 0.547 0.000 0.641 211 G HN 0.287 nan 8.290 nan 0.000 0.530 212 R N -0.422 120.343 120.500 0.442 0.000 2.491 212 R HA 0.453 4.802 4.340 0.015 0.000 0.283 212 R C 0.241 176.596 176.300 0.091 0.000 1.072 212 R CA -0.601 55.691 56.100 0.321 0.000 1.048 212 R CB 0.849 31.265 30.300 0.193 0.000 0.983 212 R HN 0.217 nan 8.270 nan 0.000 0.450 213 L N 4.551 125.629 121.223 -0.243 0.000 2.319 213 L HA 0.206 4.555 4.340 0.015 0.000 0.280 213 L C -0.529 176.183 176.870 -0.262 0.000 1.099 213 L CA 0.097 54.622 54.840 -0.525 0.000 0.828 213 L CB 0.645 41.894 42.059 -1.350 0.000 1.150 213 L HN 0.431 nan 8.230 nan 0.000 0.442 214 I N 6.795 127.279 120.570 -0.143 0.000 2.312 214 I HA 0.257 4.436 4.170 0.015 0.000 0.291 214 I C -0.066 176.019 176.117 -0.052 0.000 1.031 214 I CA -0.280 60.979 61.300 -0.068 0.000 1.293 214 I CB 0.780 38.763 38.000 -0.028 0.000 1.403 214 I HN 0.398 nan 8.210 nan 0.000 0.484 215 I N 6.670 127.231 120.570 -0.015 0.000 2.404 215 I HA 0.381 4.560 4.170 0.015 0.000 0.293 215 I C 0.336 176.470 176.117 0.029 0.000 0.992 215 I CA -0.704 60.620 61.300 0.040 0.000 1.149 215 I CB 1.801 39.908 38.000 0.179 0.000 1.315 215 I HN 0.436 nan 8.210 nan 0.000 0.446 216 R N 6.081 126.601 120.500 0.034 0.000 2.275 216 R HA 0.447 4.796 4.340 0.015 0.000 0.326 216 R C -1.151 175.168 176.300 0.033 0.000 0.973 216 R CA -0.794 55.316 56.100 0.017 0.000 0.854 216 R CB 0.748 31.057 30.300 0.015 0.000 1.156 216 R HN 0.388 nan 8.270 nan 0.000 0.487 217 L N 2.975 124.207 121.223 0.014 0.000 2.466 217 L HA 0.094 4.443 4.340 0.015 0.000 0.257 217 L C 1.708 178.589 176.870 0.018 0.000 1.189 217 L CA 0.317 55.174 54.840 0.028 0.000 0.813 217 L CB 0.612 42.663 42.059 -0.013 0.000 1.118 217 L HN 0.523 nan 8.230 nan 0.000 0.471 218 D N -0.230 120.187 120.400 0.028 0.000 2.190 218 D HA -0.175 4.474 4.640 0.015 0.000 0.200 218 D C 1.897 178.202 176.300 0.008 0.000 0.992 218 D CA 1.724 55.736 54.000 0.020 0.000 0.854 218 D CB 0.020 40.835 40.800 0.024 0.000 0.936 218 D HN 0.703 nan 8.370 nan 0.000 0.462 219 S N -0.837 114.863 115.700 -0.001 0.000 2.555 219 S HA 0.135 4.614 4.470 0.015 0.000 0.230 219 S C 1.801 176.394 174.600 -0.013 0.000 0.978 219 S CA 1.038 59.233 58.200 -0.009 0.000 0.934 219 S CB 0.234 63.423 63.200 -0.018 0.000 0.766 219 S HN 0.372 nan 8.310 nan 0.000 0.533 220 G N 0.898 109.691 108.800 -0.012 0.000 2.213 220 G HA2 -0.292 3.677 3.960 0.015 0.000 0.236 220 G HA3 -0.292 3.677 3.960 0.015 0.000 0.236 220 G C -0.128 174.757 174.900 -0.026 0.000 0.991 220 G CA 0.122 45.214 45.100 -0.013 0.000 0.629 220 G HN 0.790 nan 8.290 nan 0.000 0.517 221 E N 0.671 120.847 120.200 -0.040 0.000 2.414 221 E HA 0.375 4.734 4.350 0.015 0.000 0.263 221 E C -0.095 176.462 176.600 -0.072 0.000 1.000 221 E CA -0.160 56.202 56.400 -0.064 0.000 0.914 221 E CB 0.666 30.310 29.700 -0.093 0.000 0.948 221 E HN 0.188 nan 8.360 nan 0.000 0.444 222 V N 5.554 125.425 119.914 -0.072 0.000 2.398 222 V HA 0.312 4.441 4.120 0.015 0.000 0.286 222 V C -0.035 176.000 176.094 -0.099 0.000 1.026 222 V CA -0.534 61.726 62.300 -0.066 0.000 0.868 222 V CB 1.488 33.287 31.823 -0.041 0.000 0.982 222 V HN 0.656 nan 8.190 nan 0.000 0.443 223 K N 3.729 124.061 120.400 -0.112 0.000 2.259 223 K HA 0.639 4.968 4.320 0.015 0.000 0.249 223 K C -0.935 175.633 176.600 -0.053 0.000 0.942 223 K CA -0.953 55.252 56.287 -0.136 0.000 0.816 223 K CB 2.484 34.795 32.500 -0.314 0.000 1.155 223 K HN 0.512 nan 8.250 nan 0.000 0.428 224 K N 1.897 122.275 120.400 -0.037 0.000 2.425 224 K HA 0.293 4.622 4.320 0.015 0.000 0.259 224 K C -0.862 175.747 176.600 0.015 0.000 0.978 224 K CA -0.673 55.604 56.287 -0.017 0.000 0.883 224 K CB 1.731 34.220 32.500 -0.018 0.000 1.110 224 K HN 0.197 nan 8.250 nan 0.000 0.436 225 V N 5.151 125.056 119.914 -0.015 0.000 2.432 225 V HA 0.309 4.438 4.120 0.015 0.000 0.275 225 V C 0.242 176.430 176.094 0.157 0.000 1.043 225 V CA -0.624 61.687 62.300 0.020 0.000 0.925 225 V CB 0.651 32.357 31.823 -0.194 0.000 0.985 225 V HN 0.638 nan 8.190 nan 0.000 0.466 226 I N 5.537 126.254 120.570 0.245 0.000 2.359 226 I HA 0.315 4.494 4.170 0.015 0.000 0.294 226 I C -0.243 176.126 176.117 0.419 0.000 0.987 226 I CA -0.862 60.612 61.300 0.290 0.000 1.225 226 I CB 1.214 39.273 38.000 0.097 0.000 1.366 226 I HN 0.739 nan 8.210 nan 0.000 0.466 227 Y N 5.188 125.758 120.300 0.450 0.000 2.436 227 Y HA 0.676 5.236 4.550 0.017 0.000 0.336 227 Y C 0.411 176.335 175.900 0.039 0.000 1.049 227 Y CA -0.400 57.787 58.100 0.145 0.000 1.294 227 Y CB 0.613 38.840 38.460 -0.389 0.000 1.179 227 Y HN 0.654 nan 8.280 nan 0.000 0.520 228 G N 2.611 111.489 108.800 0.130 0.000 3.554 228 G HA2 0.047 4.016 3.960 0.015 0.000 0.168 228 G HA3 0.047 4.016 3.960 0.015 0.000 0.168 228 G C -0.758 174.184 174.900 0.069 0.000 1.271 228 G CA -0.422 44.703 45.100 0.042 0.000 1.339 228 G HN 0.461 nan 8.290 nan 0.000 0.731 229 D N 1.482 121.916 120.400 0.056 0.000 3.134 229 D HA 0.400 5.049 4.640 0.015 0.000 0.248 229 D C -0.356 175.984 176.300 0.065 0.000 1.273 229 D CA 0.258 54.287 54.000 0.048 0.000 0.904 229 D CB 1.420 42.239 40.800 0.032 0.000 1.089 229 D HN 0.159 nan 8.370 nan 0.000 0.478 230 V N -0.568 119.402 119.914 0.094 0.000 3.074 230 V HA 0.698 4.827 4.120 0.015 0.000 0.314 230 V C -1.073 175.080 176.094 0.098 0.000 1.117 230 V CA -0.535 61.833 62.300 0.114 0.000 1.014 230 V CB 2.518 34.467 31.823 0.210 0.000 1.057 230 V HN 0.126 nan 8.190 nan 0.000 0.438 231 S N 3.690 119.437 115.700 0.079 0.000 2.540 231 S HA 0.680 5.159 4.470 0.015 0.000 0.275 231 S C -1.484 173.141 174.600 0.041 0.000 1.123 231 S CA -0.590 57.642 58.200 0.053 0.000 0.907 231 S CB 1.538 64.749 63.200 0.017 0.000 1.081 231 S HN 0.979 nan 8.310 nan 0.000 0.476 232 L N 4.464 125.712 121.223 0.040 0.000 2.346 232 L HA 0.765 5.114 4.340 0.015 0.000 0.276 232 L C -0.870 175.907 176.870 -0.154 0.000 1.006 232 L CA -0.588 54.227 54.840 -0.042 0.000 0.817 232 L CB 1.245 43.337 42.059 0.056 0.000 1.272 232 L HN 0.769 nan 8.230 nan 0.000 0.421 233 R N 3.860 124.232 120.500 -0.213 0.000 2.621 233 R HA 0.451 4.800 4.340 0.015 0.000 0.284 233 R C -1.582 174.598 176.300 -0.200 0.000 0.998 233 R CA -0.661 55.332 56.100 -0.179 0.000 0.895 233 R CB 2.032 32.299 30.300 -0.055 0.000 1.195 233 R HN 0.367 nan 8.270 nan 0.000 0.450 234 F N 2.310 122.308 119.950 0.079 0.000 2.389 234 F HA 0.253 4.790 4.527 0.018 0.000 0.337 234 F C 0.704 176.510 175.800 0.009 0.000 1.112 234 F CA -0.480 57.558 58.000 0.065 0.000 1.192 234 F CB 0.521 39.587 39.000 0.110 0.000 1.185 234 F HN 0.062 nan 8.300 nan 0.000 0.552 235 L N 0.000 121.340 121.223 0.196 0.000 2.949 235 L HA 0.000 4.349 4.340 0.015 0.000 0.249 235 L CA 0.000 54.892 54.840 0.087 0.000 0.813 235 L CB 0.000 42.097 42.059 0.064 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502