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 2dth_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 0.000 176.290 176.300 -0.016 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.577 32.600 -0.038 0.000 1.302 2 L N 1.563 122.783 121.223 -0.005 0.000 2.313 2 L HA 0.409 4.749 4.340 0.001 0.000 0.214 2 L C 1.467 178.366 176.870 0.049 0.000 1.119 2 L CA 1.039 55.892 54.840 0.020 0.000 0.809 2 L CB -0.568 41.521 42.059 0.051 0.000 0.933 2 L HN 0.868 nan 8.230 nan 0.000 0.449 3 G N 1.256 110.079 108.800 0.038 0.000 2.221 3 G HA2 -0.280 3.681 3.960 0.001 0.000 0.265 3 G HA3 -0.280 3.681 3.960 0.001 0.000 0.265 3 G C 0.137 175.065 174.900 0.048 0.000 1.041 3 G CA -0.078 45.044 45.100 0.037 0.000 0.807 3 G HN 0.231 nan 8.290 nan 0.000 0.502 4 L N -1.124 120.136 121.223 0.062 0.000 2.417 4 L HA 0.415 4.755 4.340 0.001 0.000 0.268 4 L C 1.361 178.253 176.870 0.037 0.000 1.158 4 L CA -0.042 54.831 54.840 0.056 0.000 0.819 4 L CB 0.979 43.082 42.059 0.073 0.000 1.112 4 L HN 0.146 nan 8.230 nan 0.000 0.458 5 K N 0.310 120.726 120.400 0.027 0.000 2.506 5 K HA 0.136 4.456 4.320 0.001 0.000 0.204 5 K C 0.144 176.757 176.600 0.021 0.000 1.045 5 K CA -0.183 56.117 56.287 0.023 0.000 1.074 5 K CB 0.666 33.177 32.500 0.018 0.000 0.842 5 K HN 0.757 nan 8.250 nan 0.000 0.514 6 T N -1.781 112.785 114.554 0.020 0.000 2.855 6 T HA 0.074 4.424 4.350 0.001 0.000 0.314 6 T C 1.173 175.892 174.700 0.031 0.000 1.077 6 T CA -0.279 61.834 62.100 0.021 0.000 1.095 6 T CB 1.465 70.340 68.868 0.011 0.000 0.987 6 T HN -0.112 nan 8.240 nan 0.000 0.546 7 S N 0.697 116.421 115.700 0.039 0.000 2.456 7 S HA 0.226 4.696 4.470 0.001 0.000 0.224 7 S C 1.490 176.126 174.600 0.059 0.000 1.035 7 S CA 0.054 58.280 58.200 0.044 0.000 0.940 7 S CB -0.257 62.969 63.200 0.042 0.000 0.799 7 S HN 0.711 nan 8.310 nan 0.000 0.508 8 I N 0.055 120.672 120.570 0.079 0.000 3.674 8 I HA 0.273 4.443 4.170 0.001 0.000 0.248 8 I C -0.267 175.886 176.117 0.060 0.000 1.134 8 I CA -0.024 61.336 61.300 0.099 0.000 1.519 8 I CB 0.159 38.277 38.000 0.196 0.000 1.598 8 I HN 0.021 nan 8.210 nan 0.000 0.442 9 I N 2.726 123.320 120.570 0.040 0.000 2.505 9 I HA 0.175 4.345 4.170 0.001 0.000 0.287 9 I C 0.957 177.064 176.117 -0.016 0.000 1.104 9 I CA 0.635 61.920 61.300 -0.026 0.000 1.387 9 I CB 0.182 38.133 38.000 -0.083 0.000 1.404 9 I HN 0.610 nan 8.210 nan 0.000 0.528 10 G N 5.103 113.906 108.800 0.005 0.000 2.134 10 G HA2 -0.237 3.724 3.960 0.001 0.000 0.209 10 G HA3 -0.237 3.724 3.960 0.001 0.000 0.209 10 G C 0.965 175.899 174.900 0.057 0.000 0.993 10 G CA -0.256 44.867 45.100 0.038 0.000 0.669 10 G HN 0.671 nan 8.290 nan 0.000 0.519 11 R N -0.486 120.043 120.500 0.049 0.000 2.148 11 R HA 0.122 4.462 4.340 0.001 0.000 0.223 11 R C 1.195 177.529 176.300 0.057 0.000 1.088 11 R CA 0.975 57.105 56.100 0.049 0.000 0.985 11 R CB 0.077 30.404 30.300 0.045 0.000 0.880 11 R HN 0.409 nan 8.270 nan 0.000 0.451 12 R N -0.160 120.379 120.500 0.065 0.000 2.686 12 R HA 0.475 4.816 4.340 0.001 0.000 0.283 12 R C -1.499 174.861 176.300 0.100 0.000 0.978 12 R CA -0.690 55.453 56.100 0.073 0.000 0.897 12 R CB 2.949 33.288 30.300 0.065 0.000 1.192 12 R HN -0.169 nan 8.270 nan 0.000 0.457 13 V N 4.086 124.063 119.914 0.105 0.000 2.686 13 V HA 0.483 4.603 4.120 0.001 0.000 0.306 13 V C -0.541 175.612 176.094 0.099 0.000 1.065 13 V CA -0.687 61.697 62.300 0.139 0.000 0.894 13 V CB 2.249 34.176 31.823 0.173 0.000 1.004 13 V HN 0.614 nan 8.190 nan 0.000 0.424 14 I N 4.996 125.642 120.570 0.128 0.000 2.362 14 I HA 0.452 4.623 4.170 0.001 0.000 0.289 14 I C -1.123 175.035 176.117 0.070 0.000 0.994 14 I CA -0.715 60.621 61.300 0.061 0.000 1.158 14 I CB 1.457 39.535 38.000 0.131 0.000 1.315 14 I HN 0.710 nan 8.210 nan 0.000 0.451 15 Y N 7.553 127.725 120.300 -0.214 0.000 2.377 15 Y HA 0.664 5.214 4.550 0.000 0.000 0.339 15 Y C -1.744 173.946 175.900 -0.350 0.000 1.011 15 Y CA -0.946 57.056 58.100 -0.163 0.000 1.093 15 Y CB 1.216 39.583 38.460 -0.156 0.000 1.201 15 Y HN 0.318 nan 8.280 nan 0.000 0.455 16 F N 4.320 123.721 119.950 -0.916 0.000 2.520 16 F HA 0.367 4.894 4.527 0.001 0.000 0.322 16 F C 1.056 176.227 175.800 -1.048 0.000 1.103 16 F CA -0.671 56.828 58.000 -0.836 0.000 0.926 16 F CB 2.334 41.050 39.000 -0.472 0.000 1.154 16 F HN 0.605 nan 8.300 nan 0.000 0.453 17 Q N 0.740 120.205 119.800 -0.558 0.000 2.124 17 Q HA -0.110 4.230 4.340 0.001 0.000 0.202 17 Q C 0.128 176.068 176.000 -0.101 0.000 0.977 17 Q CA 1.405 57.056 55.803 -0.252 0.000 0.850 17 Q CB 0.369 29.076 28.738 -0.052 0.000 0.901 17 Q HN 0.678 nan 8.270 nan 0.000 0.429 18 E N -0.536 119.623 120.200 -0.069 0.000 2.366 18 E HA 0.588 4.938 4.350 0.001 0.000 0.278 18 E C -1.832 174.708 176.600 -0.100 0.000 0.923 18 E CA -0.408 55.962 56.400 -0.049 0.000 0.761 18 E CB 1.730 31.412 29.700 -0.030 0.000 1.231 18 E HN 0.077 nan 8.360 nan 0.000 0.443 19 I N 1.802 122.286 120.570 -0.144 0.000 3.066 19 I HA 0.215 4.386 4.170 0.001 0.000 0.307 19 I C 1.052 177.067 176.117 -0.169 0.000 1.366 19 I CA -0.319 60.826 61.300 -0.259 0.000 0.972 19 I CB 2.231 39.942 38.000 -0.482 0.000 1.307 19 I HN 0.844 nan 8.210 nan 0.000 0.470 20 T N 0.592 115.051 114.554 -0.160 0.000 2.668 20 T HA 0.032 4.382 4.350 0.001 0.000 0.262 20 T C 0.662 175.316 174.700 -0.076 0.000 1.045 20 T CA 0.957 63.004 62.100 -0.089 0.000 1.152 20 T CB -0.168 68.665 68.868 -0.057 0.000 0.864 20 T HN 0.495 nan 8.240 nan 0.000 0.419 21 S N -0.008 115.640 115.700 -0.088 0.000 2.562 21 S HA 0.427 4.897 4.470 0.001 0.000 0.274 21 S C 0.794 175.347 174.600 -0.078 0.000 1.160 21 S CA -0.025 58.131 58.200 -0.073 0.000 0.933 21 S CB 1.495 64.687 63.200 -0.013 0.000 1.100 21 S HN 0.526 nan 8.310 nan 0.000 0.468 22 T N 2.483 116.997 114.554 -0.067 0.000 2.915 22 T HA -0.039 4.312 4.350 0.001 0.000 0.269 22 T C 1.373 176.081 174.700 0.013 0.000 1.071 22 T CA 1.425 63.516 62.100 -0.015 0.000 1.132 22 T CB -0.540 68.353 68.868 0.042 0.000 0.878 22 T HN 0.512 nan 8.240 nan 0.000 0.479 23 N N 1.146 119.818 118.700 -0.047 0.000 2.244 23 N HA -0.025 4.716 4.740 0.001 0.000 0.183 23 N C 2.009 177.515 175.510 -0.006 0.000 1.016 23 N CA 0.851 53.871 53.050 -0.051 0.000 0.866 23 N CB -0.168 38.242 38.487 -0.128 0.000 0.980 23 N HN 0.381 nan 8.380 nan 0.000 0.430 24 E N -0.630 119.584 120.200 0.024 0.000 2.152 24 E HA -0.079 4.271 4.350 0.001 0.000 0.192 24 E C 1.481 178.096 176.600 0.026 0.000 0.983 24 E CA 0.364 56.786 56.400 0.037 0.000 0.818 24 E CB -0.241 29.495 29.700 0.059 0.000 0.758 24 E HN 0.382 nan 8.360 nan 0.000 0.467 25 F N 1.360 121.242 119.950 -0.113 0.000 2.293 25 F HA 0.033 4.560 4.527 0.000 0.000 0.297 25 F C 2.099 177.843 175.800 -0.093 0.000 1.089 25 F CA 1.050 58.971 58.000 -0.131 0.000 1.377 25 F CB -0.134 38.725 39.000 -0.235 0.000 1.051 25 F HN -0.048 nan 8.300 nan 0.000 0.511 26 A N 0.061 122.839 122.820 -0.069 0.000 2.125 26 A HA -0.125 4.195 4.320 0.001 0.000 0.219 26 A C 2.064 179.538 177.584 -0.184 0.000 1.156 26 A CA 1.547 53.505 52.037 -0.131 0.000 0.671 26 A CB -0.472 18.509 19.000 -0.031 0.000 0.794 26 A HN 0.488 nan 8.150 nan 0.000 0.459 27 K N -1.844 118.461 120.400 -0.159 0.000 2.102 27 K HA 0.015 4.335 4.320 0.001 0.000 0.208 27 K C 1.891 178.398 176.600 -0.154 0.000 1.027 27 K CA 1.099 57.312 56.287 -0.123 0.000 0.958 27 K CB -0.708 31.752 32.500 -0.067 0.000 0.819 27 K HN 0.183 nan 8.250 nan 0.000 0.453 28 T N 1.393 115.857 114.554 -0.151 0.000 3.202 28 T HA -0.030 4.320 4.350 0.001 0.000 0.267 28 T C -0.240 174.332 174.700 -0.213 0.000 1.183 28 T CA 0.365 62.388 62.100 -0.129 0.000 1.055 28 T CB -0.342 68.477 68.868 -0.082 0.000 0.898 28 T HN 0.071 nan 8.240 nan 0.000 0.555 29 S N 0.944 116.418 115.700 -0.375 0.000 2.513 29 S HA 0.528 4.998 4.470 0.001 0.000 0.299 29 S C -1.118 173.200 174.600 -0.469 0.000 1.087 29 S CA -0.910 56.930 58.200 -0.600 0.000 1.012 29 S CB 0.890 63.425 63.200 -1.109 0.000 1.044 29 S HN 0.441 nan 8.310 nan 0.000 0.485 30 Y N 1.554 121.778 120.300 -0.127 0.000 2.402 30 Y HA 0.743 5.293 4.550 0.001 0.000 0.333 30 Y C -0.466 175.397 175.900 -0.063 0.000 1.076 30 Y CA -0.918 57.140 58.100 -0.070 0.000 1.299 30 Y CB -0.288 38.149 38.460 -0.039 0.000 1.197 30 Y HN 0.388 nan 8.280 nan 0.000 0.517 31 L N 2.759 123.931 121.223 -0.085 0.000 2.556 31 L HA 0.337 4.677 4.340 0.001 0.000 0.257 31 L C -0.544 176.327 176.870 0.001 0.000 0.955 31 L CA -1.095 53.701 54.840 -0.073 0.000 0.850 31 L CB 2.621 44.593 42.059 -0.144 0.000 1.398 31 L HN 0.698 nan 8.230 nan 0.000 0.412 32 E N 2.171 122.387 120.200 0.027 0.000 2.373 32 E HA 0.067 4.418 4.350 0.001 0.000 0.267 32 E C -0.296 176.317 176.600 0.022 0.000 1.032 32 E CA -0.395 56.027 56.400 0.036 0.000 0.889 32 E CB 1.107 30.836 29.700 0.048 0.000 0.984 32 E HN 0.588 nan 8.360 nan 0.000 0.425 33 E N 2.448 122.665 120.200 0.029 0.000 2.481 33 E HA -0.039 4.312 4.350 0.001 0.000 0.263 33 E C 0.628 177.236 176.600 0.014 0.000 0.992 33 E CA 1.063 57.476 56.400 0.021 0.000 0.938 33 E CB 0.108 29.846 29.700 0.064 0.000 0.933 33 E HN 0.792 nan 8.360 nan 0.000 0.453 34 G N 3.071 111.851 108.800 -0.035 0.000 2.217 34 G HA2 -0.272 3.688 3.960 0.001 0.000 0.246 34 G HA3 -0.272 3.688 3.960 0.001 0.000 0.246 34 G C 0.371 175.263 174.900 -0.013 0.000 0.990 34 G CA 0.280 45.358 45.100 -0.037 0.000 0.627 34 G HN 0.668 nan 8.290 nan 0.000 0.522 35 T N 1.377 115.934 114.554 0.005 0.000 2.888 35 T HA 0.441 4.792 4.350 0.001 0.000 0.301 35 T C 0.415 175.144 174.700 0.048 0.000 1.001 35 T CA 0.381 62.503 62.100 0.038 0.000 1.147 35 T CB 1.989 70.882 68.868 0.041 0.000 0.931 35 T HN 0.548 nan 8.240 nan 0.000 0.541 36 V N 5.340 125.312 119.914 0.098 0.000 2.459 36 V HA 0.404 4.524 4.120 0.001 0.000 0.295 36 V C -0.111 176.103 176.094 0.200 0.000 1.029 36 V CA -0.952 61.431 62.300 0.138 0.000 0.874 36 V CB 1.484 33.424 31.823 0.195 0.000 0.985 36 V HN 0.681 nan 8.190 nan 0.000 0.438 37 I N 5.299 125.992 120.570 0.206 0.000 2.354 37 I HA 0.567 4.737 4.170 0.001 0.000 0.292 37 I C -0.149 176.112 176.117 0.240 0.000 0.989 37 I CA -0.402 61.059 61.300 0.267 0.000 1.188 37 I CB 1.469 39.648 38.000 0.297 0.000 1.342 37 I HN 0.387 nan 8.210 nan 0.000 0.457 38 V N 5.676 125.742 119.914 0.254 0.000 2.925 38 V HA 0.938 5.058 4.120 0.001 0.000 0.311 38 V C -1.015 175.197 176.094 0.198 0.000 1.104 38 V CA -0.326 62.108 62.300 0.223 0.000 0.954 38 V CB 2.151 34.081 31.823 0.179 0.000 1.022 38 V HN 0.932 nan 8.190 nan 0.000 0.427 39 A N 3.474 126.405 122.820 0.185 0.000 2.515 39 A HA 0.639 4.960 4.320 0.001 0.000 0.298 39 A C 0.144 177.861 177.584 0.221 0.000 1.059 39 A CA -0.377 51.724 52.037 0.107 0.000 0.698 39 A CB 1.594 20.630 19.000 0.060 0.000 1.289 39 A HN 0.784 nan 8.150 nan 0.000 0.404 40 D N 0.675 121.170 120.400 0.159 0.000 2.144 40 D HA -0.043 4.598 4.640 0.001 0.000 0.199 40 D C 0.365 176.878 176.300 0.354 0.000 0.984 40 D CA 1.843 55.979 54.000 0.226 0.000 0.834 40 D CB 0.139 41.047 40.800 0.180 0.000 0.955 40 D HN 0.692 nan 8.370 nan 0.000 0.465 41 K N -0.478 120.077 120.400 0.258 0.000 2.532 41 K HA 0.524 4.844 4.320 0.001 0.000 0.265 41 K C -0.981 175.634 176.600 0.025 0.000 0.948 41 K CA -0.841 55.555 56.287 0.182 0.000 0.842 41 K CB 2.008 34.567 32.500 0.098 0.000 1.392 41 K HN -0.255 nan 8.250 nan 0.000 0.436 42 Q N 0.733 120.459 119.800 -0.123 0.000 2.353 42 Q HA 0.240 4.581 4.340 0.001 0.000 0.268 42 Q C 0.071 175.993 176.000 -0.130 0.000 1.045 42 Q CA -0.676 55.044 55.803 -0.139 0.000 0.811 42 Q CB 2.342 30.966 28.738 -0.190 0.000 1.305 42 Q HN 0.898 nan 8.270 nan 0.000 0.447 43 T N -1.483 113.017 114.554 -0.090 0.000 3.057 43 T HA 0.178 4.528 4.350 0.001 0.000 0.254 43 T C 0.916 175.583 174.700 -0.055 0.000 1.094 43 T CA 0.302 62.360 62.100 -0.071 0.000 1.088 43 T CB 0.330 69.166 68.868 -0.054 0.000 0.934 43 T HN 0.406 nan 8.240 nan 0.000 0.497 44 M N 2.133 121.708 119.600 -0.041 0.000 3.404 44 M HA 0.391 4.871 4.480 0.001 0.000 0.398 44 M C 0.508 176.846 176.300 0.064 0.000 1.599 44 M CA -0.658 54.649 55.300 0.010 0.000 0.696 44 M CB 0.675 33.288 32.600 0.022 0.000 1.427 44 M HN 0.296 nan 8.290 nan 0.000 0.502 45 G N 1.428 110.224 108.800 -0.006 0.000 2.442 45 G HA2 0.408 4.368 3.960 0.001 0.000 0.249 45 G HA3 0.408 4.368 3.960 0.001 0.000 0.249 45 G C -0.306 174.657 174.900 0.105 0.000 1.263 45 G CA 0.063 45.152 45.100 -0.019 0.000 0.846 45 G HN 0.668 nan 8.290 nan 0.000 0.555 46 H N -0.399 118.694 119.070 0.039 0.000 2.985 46 H HA 0.730 5.286 4.556 0.000 0.000 0.360 46 H C 0.047 175.386 175.328 0.018 0.000 1.221 46 H CA -0.588 55.492 56.048 0.054 0.000 1.121 46 H CB 1.364 31.129 29.762 0.006 0.000 1.854 46 H HN 0.713 nan 8.280 nan 0.000 0.551 47 G N 0.068 108.974 108.800 0.176 0.000 2.795 47 G HA2 0.242 4.202 3.960 0.001 0.000 0.267 47 G HA3 0.242 4.202 3.960 0.001 0.000 0.267 47 G C 0.768 175.704 174.900 0.060 0.000 1.362 47 G CA -0.777 44.349 45.100 0.042 0.000 1.048 47 G HN 0.655 nan 8.290 nan 0.000 0.547 48 R N -1.208 119.289 120.500 -0.005 0.000 2.112 48 R HA -0.039 4.301 4.340 0.001 0.000 0.242 48 R C 1.898 178.175 176.300 -0.038 0.000 1.137 48 R CA 1.470 57.551 56.100 -0.031 0.000 0.944 48 R CB -0.452 29.807 30.300 -0.070 0.000 0.857 48 R HN 0.364 nan 8.270 nan 0.000 0.435 49 L N 1.074 122.283 121.223 -0.023 0.000 2.653 49 L HA 0.119 4.459 4.340 0.001 0.000 0.232 49 L C -0.145 176.719 176.870 -0.009 0.000 1.169 49 L CA -0.042 54.779 54.840 -0.032 0.000 0.951 49 L CB -0.028 42.013 42.059 -0.030 0.000 1.181 49 L HN 0.404 nan 8.230 nan 0.000 0.460 50 N N 0.427 119.139 118.700 0.020 0.000 2.829 50 N HA -0.166 4.574 4.740 0.001 0.000 0.250 50 N C 0.133 175.660 175.510 0.029 0.000 1.090 50 N CA 0.752 53.809 53.050 0.011 0.000 0.781 50 N CB -0.718 37.735 38.487 -0.056 0.000 1.124 50 N HN 0.468 nan 8.380 nan 0.000 0.559 51 R N 1.245 121.784 120.500 0.064 0.000 2.577 51 R HA 0.298 4.638 4.340 0.001 0.000 0.269 51 R C 0.813 177.183 176.300 0.117 0.000 1.084 51 R CA -0.490 55.650 56.100 0.067 0.000 1.163 51 R CB 1.246 31.586 30.300 0.068 0.000 1.100 51 R HN 0.083 nan 8.270 nan 0.000 0.547 52 K N 1.464 121.914 120.400 0.083 0.000 2.326 52 K HA -0.001 4.320 4.320 0.001 0.000 0.275 52 K C -1.002 175.678 176.600 0.133 0.000 1.018 52 K CA -0.138 56.205 56.287 0.092 0.000 0.962 52 K CB 0.705 33.215 32.500 0.017 0.000 0.953 52 K HN 0.556 nan 8.250 nan 0.000 0.475 53 W N 6.041 127.291 121.300 -0.084 0.000 2.362 53 W HA 0.172 4.832 4.660 0.001 0.000 0.316 53 W C -0.919 175.450 176.519 -0.249 0.000 1.024 53 W CA -0.698 56.559 57.345 -0.148 0.000 1.270 53 W CB 1.085 30.442 29.460 -0.173 0.000 1.273 53 W HN 0.603 nan 8.180 nan 0.000 0.424 54 E N 3.180 122.976 120.200 -0.672 0.000 2.415 54 E HA 0.020 4.370 4.350 0.001 0.000 0.260 54 E C -0.202 175.872 176.600 -0.877 0.000 1.016 54 E CA 0.504 56.547 56.400 -0.596 0.000 0.924 54 E CB 0.933 30.351 29.700 -0.470 0.000 0.961 54 E HN 0.238 nan 8.360 nan 0.000 0.459 55 S N 5.080 120.348 115.700 -0.719 0.000 2.139 55 S HA 0.245 4.716 4.470 0.001 0.000 0.183 55 S C -2.195 172.148 174.600 -0.428 0.000 1.473 55 S CA -1.048 56.442 58.200 -1.184 0.000 1.263 55 S CB 0.753 63.217 63.200 -1.227 0.000 1.170 55 S HN 0.368 nan 8.310 nan 0.000 0.430 56 P HA 0.184 nan 4.420 nan 0.000 0.278 56 P C -0.176 177.342 177.300 0.363 0.000 1.266 56 P CA -0.500 62.678 63.100 0.130 0.000 0.807 56 P CB 0.706 32.447 31.700 0.069 0.000 1.094 57 E N -0.439 119.896 120.200 0.226 0.000 2.442 57 E HA 0.179 4.530 4.350 0.001 0.000 0.262 57 E C 0.827 177.526 176.600 0.166 0.000 1.004 57 E CA 0.854 57.376 56.400 0.203 0.000 0.928 57 E CB -0.589 29.180 29.700 0.114 0.000 0.937 57 E HN 0.785 nan 8.360 nan 0.000 0.446 58 G N 2.397 111.251 108.800 0.089 0.000 2.253 58 G HA2 -0.176 3.784 3.960 0.001 0.000 0.209 58 G HA3 -0.176 3.784 3.960 0.001 0.000 0.209 58 G C 0.289 175.118 174.900 -0.120 0.000 0.997 58 G CA -0.136 44.968 45.100 0.006 0.000 0.640 58 G HN 0.910 nan 8.290 nan 0.000 0.496 59 G N -0.777 107.865 108.800 -0.263 0.000 2.601 59 G HA2 0.716 4.677 3.960 0.001 0.000 0.317 59 G HA3 0.716 4.677 3.960 0.001 0.000 0.317 59 G C -1.045 173.054 174.900 -1.335 0.000 1.246 59 G CA -0.740 43.827 45.100 -0.889 0.000 1.012 59 G HN 0.857 nan 8.290 nan 0.000 0.494 60 L N 0.377 120.826 121.223 -1.290 0.000 2.294 60 L HA 0.607 4.947 4.340 0.001 0.000 0.283 60 L C -1.441 175.084 176.870 -0.576 0.000 1.015 60 L CA -1.016 53.383 54.840 -0.734 0.000 0.831 60 L CB 0.492 42.378 42.059 -0.288 0.000 1.217 60 L HN 0.525 nan 8.230 nan 0.000 0.420 61 W N 7.684 129.053 121.300 0.115 0.000 2.336 61 W HA 0.617 5.277 4.660 -0.000 0.000 0.315 61 W C -0.908 175.653 176.519 0.071 0.000 1.016 61 W CA -0.989 56.407 57.345 0.086 0.000 1.318 61 W CB 0.962 30.479 29.460 0.095 0.000 1.247 61 W HN 0.357 nan 8.180 nan 0.000 0.414 62 L N 0.524 121.878 121.223 0.219 0.000 2.409 62 L HA 0.953 5.294 4.340 0.001 0.000 0.255 62 L C -0.396 176.519 176.870 0.075 0.000 1.027 62 L CA -1.136 53.803 54.840 0.165 0.000 0.834 62 L CB 2.007 44.188 42.059 0.204 0.000 1.426 62 L HN 0.052 nan 8.230 nan 0.000 0.411 63 S N 0.820 116.561 115.700 0.069 0.000 2.540 63 S HA 0.825 5.295 4.470 0.001 0.000 0.275 63 S C -0.861 173.742 174.600 0.006 0.000 1.123 63 S CA -0.382 57.823 58.200 0.008 0.000 0.907 63 S CB 1.475 64.679 63.200 0.007 0.000 1.081 63 S HN 0.584 nan 8.310 nan 0.000 0.476 64 I N 2.112 122.649 120.570 -0.056 0.000 2.436 64 I HA 0.393 4.563 4.170 0.001 0.000 0.289 64 I C -0.614 175.438 176.117 -0.108 0.000 1.010 64 I CA -1.006 60.244 61.300 -0.083 0.000 1.098 64 I CB 1.825 39.737 38.000 -0.147 0.000 1.266 64 I HN 0.255 nan 8.210 nan 0.000 0.434 65 V N 7.481 127.345 119.914 -0.084 0.000 2.488 65 V HA 0.362 4.482 4.120 0.001 0.000 0.277 65 V C 0.133 176.157 176.094 -0.116 0.000 1.046 65 V CA 0.015 62.264 62.300 -0.085 0.000 0.986 65 V CB 0.912 32.700 31.823 -0.059 0.000 0.989 65 V HN 0.462 nan 8.190 nan 0.000 0.475 66 L N 3.777 124.934 121.223 -0.111 0.000 2.424 66 L HA 0.593 4.933 4.340 0.001 0.000 0.258 66 L C -0.132 176.738 176.870 -0.000 0.000 0.995 66 L CA -0.360 54.416 54.840 -0.108 0.000 0.821 66 L CB 2.436 44.349 42.059 -0.244 0.000 1.383 66 L HN 0.514 nan 8.230 nan 0.000 0.410 67 S N 1.897 117.650 115.700 0.087 0.000 2.486 67 S HA 0.299 4.769 4.470 0.001 0.000 0.144 67 S C -2.588 172.113 174.600 0.169 0.000 1.542 67 S CA -0.799 57.461 58.200 0.100 0.000 1.262 67 S CB 0.537 63.778 63.200 0.069 0.000 1.462 67 S HN 0.340 nan 8.310 nan 0.000 0.381 68 P HA 0.186 nan 4.420 nan 0.000 0.267 68 P C -0.903 176.482 177.300 0.141 0.000 1.209 68 P CA -0.320 62.945 63.100 0.275 0.000 0.763 68 P CB 0.448 32.407 31.700 0.431 0.000 0.816 69 K N 3.123 123.567 120.400 0.074 0.000 2.184 69 K HA 0.340 4.660 4.320 0.001 0.000 0.259 69 K C 0.032 176.626 176.600 -0.011 0.000 1.119 69 K CA -0.290 56.015 56.287 0.030 0.000 0.991 69 K CB 0.026 32.534 32.500 0.013 0.000 1.522 69 K HN 0.352 nan 8.250 nan 0.000 0.405 70 V N -0.786 119.128 119.914 -0.000 0.000 3.114 70 V HA 0.693 4.814 4.120 0.001 0.000 0.308 70 V C -2.603 173.479 176.094 -0.019 0.000 1.168 70 V CA -2.538 59.728 62.300 -0.056 0.000 1.015 70 V CB 1.806 33.547 31.823 -0.136 0.000 1.050 70 V HN 0.385 nan 8.190 nan 0.000 0.433 71 P HA 0.114 nan 4.420 nan 0.000 0.264 71 P C 0.425 177.739 177.300 0.023 0.000 1.183 71 P CA 0.165 63.260 63.100 -0.009 0.000 0.763 71 P CB 0.753 32.438 31.700 -0.025 0.000 0.807 72 Q N 1.890 121.714 119.800 0.040 0.000 2.308 72 Q HA -0.170 4.170 4.340 0.001 0.000 0.209 72 Q C 1.437 177.487 176.000 0.082 0.000 0.985 72 Q CA 1.439 57.278 55.803 0.061 0.000 0.881 72 Q CB -0.143 28.629 28.738 0.056 0.000 0.917 72 Q HN 0.503 nan 8.270 nan 0.000 0.443 73 K N 0.494 120.943 120.400 0.081 0.000 2.439 73 K HA -0.058 4.263 4.320 0.001 0.000 0.197 73 K C 0.700 177.363 176.600 0.105 0.000 1.041 73 K CA 0.626 56.986 56.287 0.121 0.000 0.970 73 K CB 0.326 32.896 32.500 0.117 0.000 0.773 73 K HN 0.255 nan 8.250 nan 0.000 0.479 74 D N -0.011 120.432 120.400 0.072 0.000 2.398 74 D HA -0.011 4.629 4.640 0.001 0.000 0.210 74 D C 1.591 178.025 176.300 0.224 0.000 1.094 74 D CA -0.147 53.910 54.000 0.095 0.000 0.839 74 D CB 0.294 41.078 40.800 -0.027 0.000 0.963 74 D HN -0.048 nan 8.370 nan 0.000 0.506 75 L N 1.498 122.827 121.223 0.177 0.000 2.042 75 L HA -0.062 4.278 4.340 0.001 0.000 0.210 75 L C -0.726 176.185 176.870 0.068 0.000 1.076 75 L CA 1.855 56.796 54.840 0.168 0.000 0.749 75 L CB -1.542 40.577 42.059 0.100 0.000 0.893 75 L HN -0.031 nan 8.230 nan 0.000 0.432 76 P HA -0.179 nan 4.420 nan 0.000 0.223 76 P C 1.236 178.407 177.300 -0.215 0.000 1.144 76 P CA 1.284 64.328 63.100 -0.094 0.000 0.783 76 P CB -0.017 31.703 31.700 0.033 0.000 0.771 77 K N -1.051 119.359 120.400 0.017 0.000 2.486 77 K HA 0.015 4.335 4.320 0.001 0.000 0.194 77 K C 1.645 178.160 176.600 -0.140 0.000 1.033 77 K CA 0.283 56.640 56.287 0.116 0.000 1.004 77 K CB -0.258 32.514 32.500 0.453 0.000 0.798 77 K HN 0.113 nan 8.250 nan 0.000 0.495 78 I N 0.576 120.960 120.570 -0.309 0.000 2.286 78 I HA -0.231 3.939 4.170 0.001 0.000 0.248 78 I C 2.202 178.065 176.117 -0.424 0.000 1.115 78 I CA 1.178 62.196 61.300 -0.469 0.000 1.392 78 I CB -0.743 37.050 38.000 -0.345 0.000 1.065 78 I HN 0.001 nan 8.210 nan 0.000 0.418 79 V N 0.666 120.250 119.914 -0.550 0.000 2.490 79 V HA -0.277 3.843 4.120 0.001 0.000 0.250 79 V C 2.353 178.206 176.094 -0.402 0.000 1.061 79 V CA 1.653 63.610 62.300 -0.572 0.000 1.064 79 V CB -0.455 30.828 31.823 -0.900 0.000 0.670 79 V HN 0.158 nan 8.190 nan 0.000 0.461 80 F N -0.215 119.605 119.950 -0.217 0.000 2.234 80 F HA -0.019 4.508 4.527 0.000 0.000 0.299 80 F C 2.100 177.825 175.800 -0.125 0.000 1.087 80 F CA 1.032 58.952 58.000 -0.133 0.000 1.340 80 F CB -0.887 38.078 39.000 -0.058 0.000 1.031 80 F HN 0.120 nan 8.300 nan 0.000 0.500 81 L N -0.307 120.904 121.223 -0.020 0.000 2.013 81 L HA -0.221 4.119 4.340 0.001 0.000 0.212 81 L C 2.772 179.602 176.870 -0.067 0.000 1.073 81 L CA 1.667 56.463 54.840 -0.073 0.000 0.753 81 L CB -1.497 40.437 42.059 -0.209 0.000 0.890 81 L HN 0.282 nan 8.230 nan 0.000 0.432 82 G N -0.752 107.982 108.800 -0.110 0.000 2.421 82 G HA2 -0.224 3.736 3.960 0.001 0.000 0.216 82 G HA3 -0.224 3.736 3.960 0.001 0.000 0.216 82 G C 1.763 176.628 174.900 -0.059 0.000 1.171 82 G CA 0.811 45.848 45.100 -0.104 0.000 0.775 82 G HN 0.483 nan 8.290 nan 0.000 0.543 83 A N 0.101 122.905 122.820 -0.028 0.000 1.877 83 A HA 0.066 4.386 4.320 0.001 0.000 0.216 83 A C 2.606 180.203 177.584 0.023 0.000 1.186 83 A CA 1.887 53.930 52.037 0.011 0.000 0.620 83 A CB -0.676 18.362 19.000 0.064 0.000 0.822 83 A HN 0.263 nan 8.150 nan 0.000 0.443 84 V N -0.071 119.864 119.914 0.035 0.000 2.358 84 V HA -0.161 3.959 4.120 0.001 0.000 0.246 84 V C 2.806 178.907 176.094 0.011 0.000 1.047 84 V CA 1.866 64.183 62.300 0.027 0.000 1.035 84 V CB -1.415 30.430 31.823 0.036 0.000 0.658 84 V HN 0.619 nan 8.190 nan 0.000 0.452 85 G N -0.282 108.515 108.800 -0.005 0.000 2.442 85 G HA2 -0.204 3.757 3.960 0.001 0.000 0.219 85 G HA3 -0.204 3.757 3.960 0.001 0.000 0.219 85 G C 1.661 176.550 174.900 -0.019 0.000 1.141 85 G CA 1.239 46.329 45.100 -0.017 0.000 0.763 85 G HN 0.391 nan 8.290 nan 0.000 0.554 86 V N 0.375 120.276 119.914 -0.022 0.000 2.358 86 V HA -0.143 3.977 4.120 0.001 0.000 0.246 86 V C 3.015 179.109 176.094 -0.000 0.000 1.047 86 V CA 1.350 63.637 62.300 -0.021 0.000 1.035 86 V CB -0.170 31.641 31.823 -0.020 0.000 0.658 86 V HN 0.251 nan 8.190 nan 0.000 0.452 87 V N 0.061 119.981 119.914 0.010 0.000 2.343 87 V HA -0.266 3.855 4.120 0.001 0.000 0.247 87 V C 2.409 178.520 176.094 0.028 0.000 1.051 87 V CA 2.114 64.426 62.300 0.019 0.000 1.036 87 V CB -0.672 31.163 31.823 0.020 0.000 0.654 87 V HN 0.636 nan 8.190 nan 0.000 0.451 88 E N -0.224 119.991 120.200 0.026 0.000 2.110 88 E HA -0.188 4.163 4.350 0.001 0.000 0.193 88 E C 2.283 178.919 176.600 0.059 0.000 0.988 88 E CA 1.756 58.177 56.400 0.034 0.000 0.804 88 E CB -0.322 29.393 29.700 0.026 0.000 0.745 88 E HN 0.559 nan 8.360 nan 0.000 0.458 89 T N 1.717 116.304 114.554 0.056 0.000 2.777 89 T HA -0.094 4.256 4.350 0.001 0.000 0.266 89 T C 1.985 176.789 174.700 0.174 0.000 1.040 89 T CA 0.741 62.904 62.100 0.105 0.000 1.141 89 T CB -0.172 68.707 68.868 0.019 0.000 0.868 89 T HN 0.078 nan 8.240 nan 0.000 0.444 90 L N 0.556 121.830 121.223 0.086 0.000 2.042 90 L HA -0.139 4.201 4.340 0.001 0.000 0.210 90 L C 2.692 179.653 176.870 0.151 0.000 1.076 90 L CA 1.451 56.350 54.840 0.099 0.000 0.749 90 L CB -0.516 41.569 42.059 0.043 0.000 0.893 90 L HN 0.232 nan 8.230 nan 0.000 0.432 91 K N 0.214 120.676 120.400 0.103 0.000 2.074 91 K HA -0.234 4.086 4.320 0.001 0.000 0.209 91 K C 1.924 178.575 176.600 0.085 0.000 1.048 91 K CA 1.725 58.057 56.287 0.076 0.000 0.926 91 K CB -0.173 32.356 32.500 0.048 0.000 0.713 91 K HN 0.394 nan 8.250 nan 0.000 0.444 92 E N -0.549 119.725 120.200 0.122 0.000 2.265 92 E HA -0.138 4.213 4.350 0.001 0.000 0.196 92 E C 0.552 177.106 176.600 -0.077 0.000 0.996 92 E CA 0.736 57.161 56.400 0.041 0.000 0.832 92 E CB 0.049 29.795 29.700 0.077 0.000 0.756 92 E HN 0.221 nan 8.360 nan 0.000 0.491 93 F N 0.348 120.297 119.950 -0.003 0.000 2.750 93 F HA 0.111 4.638 4.527 0.000 0.000 0.297 93 F C 0.558 176.358 175.800 -0.000 0.000 1.138 93 F CA 0.050 58.049 58.000 -0.001 0.000 1.346 93 F CB 0.131 39.130 39.000 -0.001 0.000 0.965 93 F HN -0.147 nan 8.300 nan 0.000 0.514 94 S N -0.546 115.212 115.700 0.096 0.000 3.587 94 S HA -0.279 4.191 4.470 0.001 0.000 0.337 94 S C -0.116 174.526 174.600 0.070 0.000 1.119 94 S CA 0.509 58.744 58.200 0.059 0.000 0.976 94 S CB -2.837 60.382 63.200 0.031 0.000 0.922 94 S HN 0.381 nan 8.310 nan 0.000 0.503 95 I N 0.932 121.555 120.570 0.089 0.000 2.474 95 I HA 0.441 4.612 4.170 0.001 0.000 0.294 95 I C -0.077 176.067 176.117 0.046 0.000 1.005 95 I CA -0.692 60.647 61.300 0.065 0.000 1.113 95 I CB 1.607 39.649 38.000 0.069 0.000 1.289 95 I HN 0.145 nan 8.210 nan 0.000 0.436 96 D N 5.484 125.901 120.400 0.028 0.000 2.485 96 D HA 0.356 4.997 4.640 0.001 0.000 0.221 96 D C 0.084 176.386 176.300 0.003 0.000 1.112 96 D CA -0.063 53.945 54.000 0.015 0.000 0.911 96 D CB 0.776 41.581 40.800 0.007 0.000 1.019 96 D HN 0.633 nan 8.370 nan 0.000 0.516 97 G N 2.842 111.646 108.800 0.008 0.000 2.412 97 G HA2 0.598 4.558 3.960 0.001 0.000 0.318 97 G HA3 0.598 4.558 3.960 0.001 0.000 0.318 97 G C -0.272 174.622 174.900 -0.010 0.000 1.146 97 G CA -0.723 44.377 45.100 -0.001 0.000 0.882 97 G HN 0.405 nan 8.290 nan 0.000 0.501 98 R N 0.155 120.639 120.500 -0.027 0.000 2.807 98 R HA 0.427 4.767 4.340 0.001 0.000 0.276 98 R C -0.638 175.669 176.300 0.012 0.000 0.979 98 R CA -0.885 55.200 56.100 -0.025 0.000 0.928 98 R CB 2.431 32.681 30.300 -0.083 0.000 1.191 98 R HN 0.411 nan 8.270 nan 0.000 0.471 99 I N 1.884 122.483 120.570 0.048 0.000 2.365 99 I HA 0.196 4.366 4.170 0.001 0.000 0.291 99 I C 0.278 176.498 176.117 0.172 0.000 1.004 99 I CA -0.239 61.120 61.300 0.099 0.000 1.311 99 I CB 1.033 39.096 38.000 0.104 0.000 1.401 99 I HN 0.283 nan 8.210 nan 0.000 0.491 100 K N 7.266 127.789 120.400 0.205 0.000 2.281 100 K HA 0.129 4.449 4.320 0.001 0.000 0.272 100 K C -0.687 176.073 176.600 0.265 0.000 1.048 100 K CA -0.644 55.825 56.287 0.304 0.000 0.898 100 K CB 0.703 33.391 32.500 0.313 0.000 1.128 100 K HN 0.554 nan 8.250 nan 0.000 0.460 101 W N 8.165 129.556 121.300 0.152 0.000 2.391 101 W HA -0.051 4.608 4.660 -0.000 0.000 0.339 101 W C -1.801 174.799 176.519 0.135 0.000 1.252 101 W CA -0.792 56.660 57.345 0.178 0.000 1.304 101 W CB 0.875 30.429 29.460 0.158 0.000 1.179 101 W HN 0.556 nan 8.180 nan 0.000 0.567 102 P HA -0.014 nan 4.420 nan 0.000 0.269 102 P C 0.267 177.411 177.300 -0.260 0.000 1.231 102 P CA 0.893 63.441 63.100 -0.920 0.000 0.865 102 P CB 0.601 31.291 31.700 -1.683 0.000 1.243 103 N N -0.940 117.654 118.700 -0.177 0.000 2.166 103 N HA 0.051 4.791 4.740 0.001 0.000 0.213 103 N C -0.350 175.140 175.510 -0.034 0.000 1.222 103 N CA -0.015 52.974 53.050 -0.101 0.000 0.900 103 N CB -0.045 38.371 38.487 -0.118 0.000 1.055 103 N HN -0.093 nan 8.380 nan 0.000 0.515 104 D N 0.980 121.391 120.400 0.017 0.000 2.283 104 D HA 0.326 4.966 4.640 0.001 0.000 0.248 104 D C -0.355 175.995 176.300 0.084 0.000 1.072 104 D CA -0.263 53.774 54.000 0.062 0.000 0.929 104 D CB 2.874 43.738 40.800 0.107 0.000 1.182 104 D HN -0.194 nan 8.370 nan 0.000 0.433 105 V N 2.291 122.257 119.914 0.086 0.000 2.483 105 V HA 0.383 4.503 4.120 0.001 0.000 0.297 105 V C -0.007 176.136 176.094 0.082 0.000 1.027 105 V CA -0.684 61.660 62.300 0.072 0.000 0.855 105 V CB 1.514 33.368 31.823 0.052 0.000 0.995 105 V HN 0.299 nan 8.190 nan 0.000 0.424 106 L N 4.722 125.975 121.223 0.050 0.000 2.319 106 L HA 0.788 5.128 4.340 0.001 0.000 0.267 106 L C -0.906 175.954 176.870 -0.018 0.000 1.011 106 L CA -1.095 53.763 54.840 0.029 0.000 0.818 106 L CB 2.383 44.441 42.059 -0.002 0.000 1.316 106 L HN 0.303 nan 8.230 nan 0.000 0.432 107 V N 1.113 121.026 119.914 -0.002 0.000 2.409 107 V HA 0.250 4.370 4.120 0.001 0.000 0.290 107 V C 0.309 176.404 176.094 0.001 0.000 1.017 107 V CA -0.531 61.764 62.300 -0.008 0.000 0.841 107 V CB 1.023 32.858 31.823 0.020 0.000 1.003 107 V HN 0.983 nan 8.190 nan 0.000 0.426 108 N N 4.184 122.865 118.700 -0.031 0.000 2.740 108 N HA -0.263 4.477 4.740 0.001 0.000 0.248 108 N C 0.018 175.614 175.510 0.143 0.000 1.062 108 N CA 0.791 53.866 53.050 0.041 0.000 0.704 108 N CB -0.612 37.914 38.487 0.065 0.000 0.968 108 N HN 0.895 nan 8.380 nan 0.000 0.547 109 Y N -3.224 117.067 120.300 -0.016 0.000 4.798 109 Y HA -0.302 4.249 4.550 0.002 0.000 0.237 109 Y C 0.039 175.971 175.900 0.053 0.000 1.017 109 Y CA 1.523 59.619 58.100 -0.006 0.000 2.010 109 Y CB -1.394 37.032 38.460 -0.056 0.000 1.582 109 Y HN 0.288 nan 8.280 nan 0.000 0.621 110 K N 1.056 121.541 120.400 0.141 0.000 2.206 110 K HA 0.355 4.676 4.320 0.001 0.000 0.264 110 K C 0.038 176.706 176.600 0.113 0.000 0.967 110 K CA -1.070 55.291 56.287 0.124 0.000 0.844 110 K CB 1.763 34.318 32.500 0.091 0.000 1.099 110 K HN 0.002 nan 8.250 nan 0.000 0.441 111 K N 3.664 124.144 120.400 0.134 0.000 2.402 111 K HA 0.050 4.370 4.320 0.001 0.000 0.285 111 K C 0.388 177.081 176.600 0.155 0.000 1.054 111 K CA 0.142 56.524 56.287 0.158 0.000 1.001 111 K CB 0.326 32.944 32.500 0.195 0.000 0.946 111 K HN 0.638 nan 8.250 nan 0.000 0.473 112 I N 2.763 123.426 120.570 0.156 0.000 4.035 112 I HA 0.203 4.373 4.170 0.001 0.000 0.321 112 I C -0.339 175.914 176.117 0.227 0.000 1.289 112 I CA 0.066 61.456 61.300 0.150 0.000 1.236 112 I CB 0.591 38.642 38.000 0.086 0.000 1.076 112 I HN 0.686 nan 8.210 nan 0.000 0.418 113 A N -0.500 122.476 122.820 0.260 0.000 2.608 113 A HA 0.733 5.053 4.320 0.001 0.000 0.292 113 A C -0.804 176.872 177.584 0.154 0.000 1.066 113 A CA -0.119 52.074 52.037 0.260 0.000 0.676 113 A CB 0.928 19.995 19.000 0.111 0.000 1.277 113 A HN 0.152 nan 8.150 nan 0.000 0.413 114 G N -0.594 108.134 108.800 -0.120 0.000 2.620 114 G HA2 0.644 4.604 3.960 0.001 0.000 0.301 114 G HA3 0.644 4.604 3.960 0.001 0.000 0.301 114 G C -1.629 173.052 174.900 -0.365 0.000 1.347 114 G CA -0.532 44.377 45.100 -0.320 0.000 0.971 114 G HN 1.218 nan 8.290 nan 0.000 0.488 115 V N 1.498 121.259 119.914 -0.255 0.000 2.540 115 V HA 0.612 4.732 4.120 0.001 0.000 0.302 115 V C -0.850 175.117 176.094 -0.213 0.000 1.035 115 V CA -0.770 61.393 62.300 -0.228 0.000 0.873 115 V CB 1.598 33.316 31.823 -0.175 0.000 0.992 115 V HN 0.691 nan 8.190 nan 0.000 0.428 116 L N 6.481 127.574 121.223 -0.218 0.000 2.377 116 L HA 0.677 5.017 4.340 0.001 0.000 0.270 116 L C -0.739 176.049 176.870 -0.137 0.000 0.991 116 L CA -0.031 54.716 54.840 -0.155 0.000 0.851 116 L CB 1.706 43.650 42.059 -0.191 0.000 1.218 116 L HN 0.437 nan 8.230 nan 0.000 0.420 117 V N 4.736 124.579 119.914 -0.118 0.000 2.394 117 V HA 0.529 4.650 4.120 0.001 0.000 0.282 117 V C -0.120 175.939 176.094 -0.058 0.000 1.031 117 V CA -0.493 61.724 62.300 -0.138 0.000 0.881 117 V CB 1.453 33.126 31.823 -0.250 0.000 0.982 117 V HN 0.746 nan 8.190 nan 0.000 0.451 118 E N 2.445 122.613 120.200 -0.054 0.000 2.266 118 E HA 0.657 5.007 4.350 0.001 0.000 0.268 118 E C -0.102 176.484 176.600 -0.025 0.000 0.879 118 E CA -0.573 55.818 56.400 -0.016 0.000 0.762 118 E CB 2.572 32.271 29.700 -0.001 0.000 1.199 118 E HN 0.802 nan 8.360 nan 0.000 0.422 119 G N 0.942 109.737 108.800 -0.007 0.000 2.509 119 G HA2 0.474 4.435 3.960 0.001 0.000 0.328 119 G HA3 0.474 4.435 3.960 0.001 0.000 0.328 119 G C -0.254 174.644 174.900 -0.004 0.000 1.194 119 G CA -0.336 44.759 45.100 -0.008 0.000 0.967 119 G HN 0.399 nan 8.290 nan 0.000 0.488 120 K N -0.176 120.222 120.400 -0.003 0.000 2.972 120 K HA 0.405 4.725 4.320 0.001 0.000 0.187 120 K C 0.620 177.222 176.600 0.003 0.000 1.122 120 K CA 0.450 56.736 56.287 -0.002 0.000 1.080 120 K CB 0.015 32.508 32.500 -0.011 0.000 0.720 120 K HN 1.250 nan 8.250 nan 0.000 0.429 121 G N 1.036 109.842 108.800 0.009 0.000 2.952 121 G HA2 -0.249 3.711 3.960 0.001 0.000 0.226 121 G HA3 -0.249 3.711 3.960 0.001 0.000 0.226 121 G C 0.103 175.014 174.900 0.019 0.000 1.462 121 G CA 0.157 45.265 45.100 0.014 0.000 1.157 121 G HN 0.242 nan 8.290 nan 0.000 0.544 122 D N 1.449 121.861 120.400 0.020 0.000 2.213 122 D HA 0.080 4.721 4.640 0.001 0.000 0.205 122 D C 0.939 177.254 176.300 0.025 0.000 0.961 122 D CA 0.695 54.712 54.000 0.027 0.000 0.853 122 D CB 0.054 40.871 40.800 0.028 0.000 0.967 122 D HN 0.190 nan 8.370 nan 0.000 0.496 123 K N 1.257 121.665 120.400 0.012 0.000 2.339 123 K HA 0.324 4.644 4.320 0.001 0.000 0.286 123 K C 0.266 176.860 176.600 -0.011 0.000 1.050 123 K CA -0.026 56.260 56.287 -0.000 0.000 0.956 123 K CB 1.388 33.882 32.500 -0.011 0.000 0.990 123 K HN 0.086 nan 8.250 nan 0.000 0.475 124 I N 2.281 122.837 120.570 -0.023 0.000 2.509 124 I HA 0.254 4.424 4.170 0.001 0.000 0.293 124 I C -0.474 175.599 176.117 -0.073 0.000 1.020 124 I CA -1.247 60.027 61.300 -0.044 0.000 1.088 124 I CB 2.217 40.191 38.000 -0.043 0.000 1.267 124 I HN 0.045 nan 8.210 nan 0.000 0.430 125 V N 6.278 126.145 119.914 -0.079 0.000 2.378 125 V HA 0.300 4.421 4.120 0.001 0.000 0.288 125 V C -0.446 175.579 176.094 -0.115 0.000 1.016 125 V CA -0.619 61.627 62.300 -0.090 0.000 0.840 125 V CB 1.768 33.549 31.823 -0.069 0.000 0.994 125 V HN 0.407 nan 8.190 nan 0.000 0.431 126 L N 5.799 126.939 121.223 -0.140 0.000 2.264 126 L HA 0.819 5.159 4.340 0.001 0.000 0.287 126 L C 0.504 177.289 176.870 -0.141 0.000 1.039 126 L CA 0.254 54.995 54.840 -0.164 0.000 0.829 126 L CB 0.669 42.605 42.059 -0.205 0.000 1.211 126 L HN 0.638 nan 8.230 nan 0.000 0.427 127 G N 6.044 114.755 108.800 -0.148 0.000 2.356 127 G HA2 0.660 4.620 3.960 0.001 0.000 0.322 127 G HA3 0.660 4.620 3.960 0.001 0.000 0.322 127 G C -0.907 173.888 174.900 -0.174 0.000 1.125 127 G CA -0.473 44.539 45.100 -0.147 0.000 0.885 127 G HN 0.605 nan 8.290 nan 0.000 0.467 128 I N 1.043 121.535 120.570 -0.131 0.000 2.569 128 I HA 0.511 4.682 4.170 0.001 0.000 0.290 128 I C 0.231 176.318 176.117 -0.049 0.000 1.088 128 I CA -0.912 60.309 61.300 -0.130 0.000 1.047 128 I CB 2.782 40.728 38.000 -0.090 0.000 1.237 128 I HN 0.594 nan 8.210 nan 0.000 0.421 129 G N 5.944 114.684 108.800 -0.099 0.000 2.574 129 G HA2 0.633 4.594 3.960 0.001 0.000 0.306 129 G HA3 0.633 4.594 3.960 0.001 0.000 0.306 129 G C -1.667 173.459 174.900 0.376 0.000 1.334 129 G CA -0.348 44.934 45.100 0.304 0.000 0.954 129 G HN 0.368 nan 8.290 nan 0.000 0.500 130 L N 2.439 123.795 121.223 0.222 0.000 2.349 130 L HA 0.506 4.846 4.340 0.001 0.000 0.278 130 L C -0.756 176.098 176.870 -0.027 0.000 0.996 130 L CA -1.110 53.787 54.840 0.095 0.000 0.825 130 L CB 1.486 43.514 42.059 -0.052 0.000 1.243 130 L HN 0.348 nan 8.230 nan 0.000 0.412 131 N N 4.109 122.890 118.700 0.136 0.000 2.452 131 N HA 0.200 4.940 4.740 0.001 0.000 0.266 131 N C 0.342 175.823 175.510 -0.048 0.000 1.175 131 N CA -0.011 53.082 53.050 0.073 0.000 0.945 131 N CB 1.911 40.483 38.487 0.142 0.000 1.063 131 N HN 0.557 nan 8.380 nan 0.000 0.472 132 V N 2.441 122.283 119.914 -0.120 0.000 3.204 132 V HA 0.098 4.218 4.120 0.001 0.000 0.218 132 V C 1.215 177.270 176.094 -0.066 0.000 1.159 132 V CA 0.363 62.590 62.300 -0.122 0.000 1.282 132 V CB -0.003 31.709 31.823 -0.187 0.000 1.225 132 V HN 0.561 nan 8.190 nan 0.000 0.509 133 N N 1.181 119.845 118.700 -0.060 0.000 2.205 133 N HA 0.092 4.832 4.740 0.001 0.000 0.201 133 N C 0.153 175.669 175.510 0.010 0.000 1.128 133 N CA -0.064 52.974 53.050 -0.020 0.000 0.867 133 N CB 0.022 38.496 38.487 -0.021 0.000 0.996 133 N HN 0.659 nan 8.380 nan 0.000 0.503 134 N N 1.280 119.998 118.700 0.031 0.000 2.503 134 N HA 0.032 4.773 4.740 0.001 0.000 0.267 134 N C -0.005 175.543 175.510 0.063 0.000 1.214 134 N CA 0.026 53.127 53.050 0.085 0.000 0.959 134 N CB 1.259 39.873 38.487 0.210 0.000 1.142 134 N HN -0.246 nan 8.380 nan 0.000 0.455 135 K N 0.528 120.957 120.400 0.048 0.000 2.295 135 K HA 0.188 4.508 4.320 0.001 0.000 0.270 135 K C 0.183 176.787 176.600 0.007 0.000 1.011 135 K CA -0.380 55.919 56.287 0.020 0.000 0.953 135 K CB 0.859 33.363 32.500 0.007 0.000 0.956 135 K HN 0.597 nan 8.250 nan 0.000 0.477 136 V N -0.359 119.548 119.914 -0.012 0.000 3.074 136 V HA 0.588 4.709 4.120 0.001 0.000 0.314 136 V C -2.451 173.607 176.094 -0.061 0.000 1.117 136 V CA -2.331 59.940 62.300 -0.048 0.000 1.014 136 V CB 1.166 32.972 31.823 -0.028 0.000 1.057 136 V HN 0.545 nan 8.190 nan 0.000 0.438 137 P HA 0.244 nan 4.420 nan 0.000 0.270 137 P C -0.525 176.751 177.300 -0.041 0.000 1.223 137 P CA -0.107 62.946 63.100 -0.077 0.000 0.785 137 P CB 0.151 31.785 31.700 -0.110 0.000 0.923 138 N N 0.728 119.412 118.700 -0.026 0.000 2.412 138 N HA 0.210 4.951 4.740 0.001 0.000 0.254 138 N C 1.318 176.830 175.510 0.003 0.000 1.232 138 N CA 1.870 54.915 53.050 -0.008 0.000 0.880 138 N CB -0.115 38.368 38.487 -0.006 0.000 1.076 138 N HN 0.683 nan 8.380 nan 0.000 0.458 139 G N 0.969 109.779 108.800 0.017 0.000 2.284 139 G HA2 -0.168 3.792 3.960 0.001 0.000 0.230 139 G HA3 -0.168 3.792 3.960 0.001 0.000 0.230 139 G C 0.277 175.206 174.900 0.048 0.000 1.021 139 G CA 0.362 45.483 45.100 0.036 0.000 0.619 139 G HN 0.975 nan 8.290 nan 0.000 0.510 140 A N -0.795 122.043 122.820 0.029 0.000 2.239 140 A HA 0.929 5.249 4.320 0.001 0.000 0.303 140 A C 0.421 178.028 177.584 0.038 0.000 1.114 140 A CA 1.047 53.107 52.037 0.038 0.000 0.871 140 A CB 1.299 20.299 19.000 0.001 0.000 1.201 140 A HN 1.364 nan 8.150 nan 0.000 0.506 141 T N -1.669 112.914 114.554 0.049 0.000 2.754 141 T HA 0.680 5.031 4.350 0.001 0.000 0.296 141 T C -0.702 174.026 174.700 0.048 0.000 1.205 141 T CA 0.215 62.341 62.100 0.044 0.000 1.009 141 T CB 1.204 70.100 68.868 0.047 0.000 1.368 141 T HN 1.830 nan 8.240 nan 0.000 0.509 142 S N 0.410 116.131 115.700 0.036 0.000 2.638 142 S HA 0.471 4.941 4.470 0.001 0.000 0.274 142 S C 1.107 175.714 174.600 0.011 0.000 1.157 142 S CA -0.892 57.324 58.200 0.027 0.000 0.826 142 S CB 1.175 64.389 63.200 0.022 0.000 1.139 142 S HN 0.722 nan 8.310 nan 0.000 0.474 143 M N 1.093 120.684 119.600 -0.014 0.000 2.159 143 M HA -0.043 4.437 4.480 0.001 0.000 0.263 143 M C 2.274 178.575 176.300 0.002 0.000 1.063 143 M CA 1.599 56.887 55.300 -0.021 0.000 1.110 143 M CB -0.486 32.062 32.600 -0.086 0.000 1.374 143 M HN 0.859 nan 8.290 nan 0.000 0.411 144 K N 1.167 121.566 120.400 -0.003 0.000 2.026 144 K HA -0.130 4.190 4.320 0.001 0.000 0.208 144 K C 1.773 178.384 176.600 0.017 0.000 1.048 144 K CA 1.255 57.547 56.287 0.010 0.000 0.929 144 K CB -0.121 32.382 32.500 0.005 0.000 0.713 144 K HN 0.296 nan 8.250 nan 0.000 0.439 145 L N 0.881 122.114 121.223 0.017 0.000 2.131 145 L HA -0.150 4.190 4.340 0.001 0.000 0.210 145 L C 2.350 179.234 176.870 0.024 0.000 1.092 145 L CA 0.903 55.755 54.840 0.020 0.000 0.759 145 L CB -0.244 41.827 42.059 0.021 0.000 0.903 145 L HN 0.232 nan 8.230 nan 0.000 0.435 146 E N -0.037 120.178 120.200 0.026 0.000 2.122 146 E HA -0.047 4.303 4.350 0.001 0.000 0.190 146 E C 2.276 178.896 176.600 0.034 0.000 0.977 146 E CA 0.924 57.342 56.400 0.030 0.000 0.820 146 E CB 0.083 29.802 29.700 0.032 0.000 0.770 146 E HN 0.489 nan 8.360 nan 0.000 0.462 147 L N -0.890 120.355 121.223 0.038 0.000 2.375 147 L HA 0.166 4.506 4.340 0.001 0.000 0.215 147 L C 1.501 178.391 176.870 0.034 0.000 1.108 147 L CA 0.654 55.520 54.840 0.044 0.000 0.830 147 L CB 0.003 42.100 42.059 0.064 0.000 0.959 147 L HN 0.257 nan 8.230 nan 0.000 0.457 148 G N 0.512 109.329 108.800 0.028 0.000 2.175 148 G HA2 -0.254 3.706 3.960 0.001 0.000 0.244 148 G HA3 -0.254 3.706 3.960 0.001 0.000 0.244 148 G C 0.234 175.147 174.900 0.022 0.000 0.982 148 G CA 0.240 45.354 45.100 0.023 0.000 0.641 148 G HN 0.519 nan 8.290 nan 0.000 0.527 149 S N -1.257 114.459 115.700 0.027 0.000 2.588 149 S HA 0.647 5.118 4.470 0.001 0.000 0.269 149 S C -0.710 173.906 174.600 0.027 0.000 1.157 149 S CA -0.502 57.713 58.200 0.025 0.000 0.824 149 S CB 1.796 65.013 63.200 0.027 0.000 1.126 149 S HN 0.360 nan 8.310 nan 0.000 0.464 150 E N 0.412 120.626 120.200 0.022 0.000 2.398 150 E HA 0.429 4.779 4.350 0.001 0.000 0.263 150 E C -0.817 175.801 176.600 0.031 0.000 1.046 150 E CA -0.392 56.018 56.400 0.017 0.000 0.908 150 E CB 0.942 30.649 29.700 0.011 0.000 0.963 150 E HN 0.447 nan 8.360 nan 0.000 0.431 151 V N 3.990 123.917 119.914 0.022 0.000 2.487 151 V HA 0.222 4.342 4.120 0.001 0.000 0.298 151 V C -2.306 173.803 176.094 0.025 0.000 1.028 151 V CA -2.221 60.110 62.300 0.052 0.000 0.860 151 V CB 1.496 33.336 31.823 0.027 0.000 0.991 151 V HN 0.582 nan 8.190 nan 0.000 0.427 152 P HA 0.114 nan 4.420 nan 0.000 0.258 152 P C 1.065 178.373 177.300 0.014 0.000 1.187 152 P CA 0.309 63.431 63.100 0.037 0.000 0.767 152 P CB 0.490 32.228 31.700 0.063 0.000 0.770 153 L N 3.031 124.237 121.223 -0.027 0.000 2.043 153 L HA -0.223 4.118 4.340 0.001 0.000 0.212 153 L C 2.107 178.978 176.870 0.002 0.000 1.075 153 L CA 1.314 56.123 54.840 -0.052 0.000 0.752 153 L CB -0.553 41.454 42.059 -0.086 0.000 0.891 153 L HN 0.410 nan 8.230 nan 0.000 0.432 154 L N -0.088 121.138 121.223 0.005 0.000 2.042 154 L HA -0.223 4.117 4.340 0.001 0.000 0.210 154 L C 2.806 179.763 176.870 0.145 0.000 1.076 154 L CA 2.302 57.171 54.840 0.050 0.000 0.749 154 L CB -0.714 41.346 42.059 0.001 0.000 0.893 154 L HN 0.400 nan 8.230 nan 0.000 0.432 155 S N -1.733 114.049 115.700 0.137 0.000 2.368 155 S HA -0.156 4.314 4.470 0.001 0.000 0.225 155 S C 1.924 176.688 174.600 0.273 0.000 1.030 155 S CA 1.401 59.736 58.200 0.225 0.000 0.999 155 S CB -1.253 62.122 63.200 0.293 0.000 0.844 155 S HN 0.269 nan 8.310 nan 0.000 0.459 156 V N 1.144 121.110 119.914 0.087 0.000 2.307 156 V HA -0.068 4.052 4.120 0.001 0.000 0.245 156 V C 2.138 178.231 176.094 -0.001 0.000 1.045 156 V CA 1.962 64.170 62.300 -0.153 0.000 1.024 156 V CB -1.138 30.487 31.823 -0.331 0.000 0.651 156 V HN 0.520 nan 8.190 nan 0.000 0.449 157 F N 1.394 121.300 119.950 -0.074 0.000 2.069 157 F HA -0.232 4.296 4.527 0.000 0.000 0.298 157 F C 2.713 178.507 175.800 -0.010 0.000 1.113 157 F CA 2.421 60.391 58.000 -0.050 0.000 1.214 157 F CB -0.370 38.603 39.000 -0.045 0.000 0.978 157 F HN -0.073 nan 8.300 nan 0.000 0.474 158 R N -0.160 120.432 120.500 0.154 0.000 2.096 158 R HA -0.211 4.130 4.340 0.001 0.000 0.240 158 R C 2.577 178.865 176.300 -0.019 0.000 1.139 158 R CA 1.826 57.962 56.100 0.059 0.000 0.952 158 R CB -0.862 29.517 30.300 0.131 0.000 0.854 158 R HN 0.433 nan 8.270 nan 0.000 0.436 159 S N 0.282 116.014 115.700 0.054 0.000 2.348 159 S HA -0.149 4.321 4.470 0.001 0.000 0.221 159 S C 1.947 176.537 174.600 -0.017 0.000 1.033 159 S CA 1.278 59.524 58.200 0.076 0.000 1.010 159 S CB -0.342 63.017 63.200 0.265 0.000 0.891 159 S HN 0.362 nan 8.310 nan 0.000 0.442 160 L N 1.792 122.964 121.223 -0.085 0.000 2.017 160 L HA 0.012 4.352 4.340 0.001 0.000 0.208 160 L C 2.108 178.864 176.870 -0.191 0.000 1.073 160 L CA 1.725 56.484 54.840 -0.135 0.000 0.745 160 L CB -0.739 41.219 42.059 -0.168 0.000 0.894 160 L HN 0.339 nan 8.230 nan 0.000 0.432 161 I N -0.700 119.672 120.570 -0.331 0.000 2.286 161 I HA -0.240 3.930 4.170 0.001 0.000 0.248 161 I C 2.330 178.348 176.117 -0.166 0.000 1.115 161 I CA 1.509 62.612 61.300 -0.328 0.000 1.392 161 I CB -1.785 35.883 38.000 -0.553 0.000 1.065 161 I HN 0.303 nan 8.210 nan 0.000 0.418 162 T N 1.249 115.732 114.554 -0.119 0.000 2.777 162 T HA -0.113 4.238 4.350 0.001 0.000 0.266 162 T C 1.771 176.453 174.700 -0.029 0.000 1.040 162 T CA 1.193 63.263 62.100 -0.050 0.000 1.141 162 T CB -0.163 68.691 68.868 -0.023 0.000 0.868 162 T HN 0.279 nan 8.240 nan 0.000 0.444 163 N N 1.188 119.869 118.700 -0.032 0.000 2.142 163 N HA 0.058 4.799 4.740 0.001 0.000 0.186 163 N C 1.910 177.414 175.510 -0.010 0.000 1.023 163 N CA 0.803 53.846 53.050 -0.011 0.000 0.852 163 N CB -0.415 38.067 38.487 -0.008 0.000 0.998 163 N HN 0.342 nan 8.380 nan 0.000 0.424 164 L N 0.632 121.830 121.223 -0.041 0.000 2.083 164 L HA -0.178 4.162 4.340 0.001 0.000 0.209 164 L C 2.050 178.930 176.870 0.017 0.000 1.083 164 L CA 1.168 55.985 54.840 -0.038 0.000 0.752 164 L CB -0.399 41.600 42.059 -0.101 0.000 0.899 164 L HN 0.092 nan 8.230 nan 0.000 0.433 165 D N 0.026 120.433 120.400 0.011 0.000 2.097 165 D HA -0.229 4.412 4.640 0.001 0.000 0.195 165 D C 2.341 178.703 176.300 0.103 0.000 0.989 165 D CA 1.152 55.194 54.000 0.069 0.000 0.827 165 D CB 0.077 40.897 40.800 0.033 0.000 0.966 165 D HN 0.042 nan 8.370 nan 0.000 0.456 166 R N -0.177 120.359 120.500 0.060 0.000 2.073 166 R HA -0.095 4.246 4.340 0.001 0.000 0.234 166 R C 2.432 178.777 176.300 0.075 0.000 1.134 166 R CA 1.112 57.245 56.100 0.055 0.000 0.952 166 R CB -0.365 29.955 30.300 0.033 0.000 0.850 166 R HN 0.266 nan 8.270 nan 0.000 0.433 167 L N -0.351 120.922 121.223 0.084 0.000 2.083 167 L HA -0.208 4.133 4.340 0.001 0.000 0.209 167 L C 2.450 179.430 176.870 0.183 0.000 1.083 167 L CA 1.220 56.124 54.840 0.106 0.000 0.752 167 L CB -0.600 41.504 42.059 0.076 0.000 0.899 167 L HN 0.272 nan 8.230 nan 0.000 0.433 168 Y N 0.527 120.853 120.300 0.043 0.000 2.200 168 Y HA -0.210 4.341 4.550 0.001 0.000 0.290 168 Y C 2.306 178.289 175.900 0.140 0.000 1.137 168 Y CA 1.298 59.446 58.100 0.080 0.000 1.163 168 Y CB -0.249 38.223 38.460 0.019 0.000 0.988 168 Y HN -0.007 nan 8.280 nan 0.000 0.518 169 L N 0.022 121.263 121.223 0.030 0.000 2.046 169 L HA -0.277 4.064 4.340 0.001 0.000 0.208 169 L C 2.122 178.957 176.870 -0.059 0.000 1.077 169 L CA 1.487 56.286 54.840 -0.069 0.000 0.747 169 L CB -0.594 41.466 42.059 0.001 0.000 0.896 169 L HN 0.227 nan 8.230 nan 0.000 0.432 170 N N -0.469 118.238 118.700 0.012 0.000 2.309 170 N HA -0.202 4.538 4.740 0.001 0.000 0.182 170 N C 1.678 177.196 175.510 0.012 0.000 1.018 170 N CA 1.141 54.198 53.050 0.011 0.000 0.876 170 N CB -0.273 38.239 38.487 0.041 0.000 0.972 170 N HN 0.245 nan 8.380 nan 0.000 0.434 171 F N 1.673 121.566 119.950 -0.096 0.000 2.146 171 F HA 0.031 4.559 4.527 0.001 0.000 0.298 171 F C 2.005 177.710 175.800 -0.158 0.000 1.096 171 F CA 0.895 58.839 58.000 -0.092 0.000 1.275 171 F CB -0.206 38.773 39.000 -0.033 0.000 1.008 171 F HN -0.094 nan 8.300 nan 0.000 0.480 172 L N -0.072 121.000 121.223 -0.253 0.000 2.201 172 L HA -0.173 4.168 4.340 0.001 0.000 0.212 172 L C 2.264 178.981 176.870 -0.254 0.000 1.105 172 L CA 1.225 55.873 54.840 -0.319 0.000 0.775 172 L CB -0.619 41.240 42.059 -0.333 0.000 0.913 172 L HN 0.114 nan 8.230 nan 0.000 0.440 173 K N -0.276 120.007 120.400 -0.194 0.000 2.076 173 K HA -0.044 4.276 4.320 0.001 0.000 0.204 173 K C 0.578 177.081 176.600 -0.162 0.000 1.051 173 K CA 0.711 56.913 56.287 -0.143 0.000 0.949 173 K CB 0.099 32.542 32.500 -0.094 0.000 0.726 173 K HN 0.075 nan 8.250 nan 0.000 0.443 174 N N -0.547 118.036 118.700 -0.194 0.000 2.747 174 N HA 0.152 4.893 4.740 0.001 0.000 0.262 174 N C -2.724 172.628 175.510 -0.262 0.000 1.261 174 N CA -1.600 51.333 53.050 -0.196 0.000 0.809 174 N CB 1.487 39.906 38.487 -0.114 0.000 1.450 174 N HN -0.271 nan 8.380 nan 0.000 0.560 175 P HA -0.067 nan 4.420 nan 0.000 0.222 175 P C 1.117 178.329 177.300 -0.147 0.000 1.142 175 P CA 0.934 63.663 63.100 -0.618 0.000 0.788 175 P CB 0.294 31.586 31.700 -0.680 0.000 0.767 176 M N -1.351 118.183 119.600 -0.110 0.000 2.447 176 M HA -0.036 4.445 4.480 0.001 0.000 0.264 176 M C 1.282 177.583 176.300 0.003 0.000 1.095 176 M CA 1.236 56.512 55.300 -0.039 0.000 1.125 176 M CB -0.873 31.686 32.600 -0.069 0.000 1.389 176 M HN -0.201 nan 8.290 nan 0.000 0.459 177 D N -0.044 120.358 120.400 0.004 0.000 2.182 177 D HA -0.162 4.478 4.640 0.001 0.000 0.201 177 D C 1.862 178.194 176.300 0.054 0.000 0.986 177 D CA 1.090 55.103 54.000 0.022 0.000 0.847 177 D CB -0.255 40.555 40.800 0.017 0.000 0.942 177 D HN 0.286 nan 8.370 nan 0.000 0.467 178 I N 0.964 121.604 120.570 0.116 0.000 2.335 178 I HA -0.209 3.961 4.170 0.001 0.000 0.251 178 I C 2.154 178.298 176.117 0.045 0.000 1.129 178 I CA 0.799 62.174 61.300 0.124 0.000 1.402 178 I CB -0.178 37.964 38.000 0.238 0.000 1.069 178 I HN -0.042 nan 8.210 nan 0.000 0.424 179 L N 0.533 121.774 121.223 0.030 0.000 2.042 179 L HA -0.271 4.070 4.340 0.001 0.000 0.210 179 L C 2.145 178.979 176.870 -0.059 0.000 1.076 179 L CA 2.159 56.970 54.840 -0.049 0.000 0.749 179 L CB -1.026 41.024 42.059 -0.016 0.000 0.893 179 L HN 0.517 nan 8.230 nan 0.000 0.432 180 N N -0.083 118.602 118.700 -0.024 0.000 2.244 180 N HA -0.174 4.566 4.740 0.001 0.000 0.183 180 N C 1.791 177.287 175.510 -0.023 0.000 1.016 180 N CA 0.917 53.954 53.050 -0.021 0.000 0.866 180 N CB -0.481 38.000 38.487 -0.009 0.000 0.980 180 N HN 0.248 nan 8.380 nan 0.000 0.430 181 L N 0.098 121.311 121.223 -0.017 0.000 2.093 181 L HA -0.057 4.284 4.340 0.001 0.000 0.208 181 L C 2.176 179.026 176.870 -0.033 0.000 1.085 181 L CA 0.607 55.441 54.840 -0.011 0.000 0.755 181 L CB -0.333 41.732 42.059 0.009 0.000 0.904 181 L HN 0.141 nan 8.230 nan 0.000 0.435 182 V N -0.140 119.725 119.914 -0.082 0.000 2.307 182 V HA -0.245 3.875 4.120 0.001 0.000 0.245 182 V C 2.616 178.652 176.094 -0.096 0.000 1.045 182 V CA 1.644 63.856 62.300 -0.145 0.000 1.024 182 V CB -0.598 30.971 31.823 -0.423 0.000 0.651 182 V HN 0.408 nan 8.190 nan 0.000 0.449 183 R N 0.243 120.691 120.500 -0.087 0.000 2.091 183 R HA -0.181 4.159 4.340 0.001 0.000 0.238 183 R C 1.923 178.214 176.300 -0.014 0.000 1.136 183 R CA 1.799 57.874 56.100 -0.040 0.000 0.959 183 R CB -0.553 29.729 30.300 -0.031 0.000 0.856 183 R HN 0.517 nan 8.270 nan 0.000 0.437 184 D N -0.125 120.266 120.400 -0.015 0.000 2.350 184 D HA -0.062 4.578 4.640 0.001 0.000 0.216 184 D C 0.845 177.145 176.300 0.000 0.000 0.968 184 D CA 0.890 54.888 54.000 -0.004 0.000 0.894 184 D CB -0.057 40.741 40.800 -0.004 0.000 0.909 184 D HN 0.244 nan 8.370 nan 0.000 0.520 185 N N -0.478 118.222 118.700 -0.000 0.000 2.159 185 N HA 0.080 4.821 4.740 0.001 0.000 0.217 185 N C 0.098 175.620 175.510 0.020 0.000 1.223 185 N CA -0.121 52.933 53.050 0.007 0.000 0.896 185 N CB 1.384 39.876 38.487 0.008 0.000 1.064 185 N HN 0.214 nan 8.380 nan 0.000 0.518 186 M N 1.265 120.884 119.600 0.030 0.000 2.314 186 M HA 0.385 4.866 4.480 0.001 0.000 0.342 186 M C -0.581 175.768 176.300 0.081 0.000 1.171 186 M CA -0.461 54.883 55.300 0.074 0.000 1.098 186 M CB 1.428 34.083 32.600 0.092 0.000 1.559 186 M HN -0.158 nan 8.290 nan 0.000 0.459 187 I N 5.684 126.330 120.570 0.127 0.000 2.436 187 I HA 0.155 4.325 4.170 0.001 0.000 0.289 187 I C -0.642 175.589 176.117 0.191 0.000 1.083 187 I CA 0.076 61.449 61.300 0.122 0.000 1.372 187 I CB -0.038 38.039 38.000 0.129 0.000 1.408 187 I HN 0.605 nan 8.210 nan 0.000 0.516 188 L N 4.499 125.799 121.223 0.127 0.000 2.303 188 L HA 0.649 4.989 4.340 0.001 0.000 0.256 188 L C 1.034 177.967 176.870 0.105 0.000 1.034 188 L CA -0.707 54.206 54.840 0.123 0.000 0.832 188 L CB 1.793 43.900 42.059 0.079 0.000 1.403 188 L HN 0.740 nan 8.230 nan 0.000 0.419 189 G N 0.484 109.341 108.800 0.094 0.000 2.179 189 G HA2 -0.215 3.745 3.960 0.001 0.000 0.260 189 G HA3 -0.215 3.745 3.960 0.001 0.000 0.260 189 G C -0.107 174.849 174.900 0.093 0.000 0.977 189 G CA 0.225 45.371 45.100 0.077 0.000 0.641 189 G HN 0.704 nan 8.290 nan 0.000 0.533 190 V N -2.576 117.422 119.914 0.140 0.000 2.850 190 V HA 0.835 4.956 4.120 0.001 0.000 0.315 190 V C 0.711 176.909 176.094 0.175 0.000 1.064 190 V CA -1.206 61.189 62.300 0.159 0.000 0.979 190 V CB 1.693 33.640 31.823 0.207 0.000 1.039 190 V HN 0.455 nan 8.190 nan 0.000 0.452 191 R N 1.421 122.007 120.500 0.144 0.000 2.491 191 R HA 0.618 4.958 4.340 0.001 0.000 0.283 191 R C -0.620 175.765 176.300 0.141 0.000 1.072 191 R CA 0.058 56.227 56.100 0.115 0.000 1.048 191 R CB 1.135 31.483 30.300 0.079 0.000 0.983 191 R HN 1.075 nan 8.270 nan 0.000 0.450 192 V N 0.842 120.797 119.914 0.069 0.000 3.007 192 V HA 0.549 4.669 4.120 0.001 0.000 0.311 192 V C -1.272 174.772 176.094 -0.083 0.000 1.120 192 V CA -1.226 61.069 62.300 -0.009 0.000 0.980 192 V CB 1.898 33.669 31.823 -0.085 0.000 1.033 192 V HN 0.676 nan 8.190 nan 0.000 0.429 193 K N 3.740 124.067 120.400 -0.122 0.000 2.211 193 K HA 0.663 4.984 4.320 0.001 0.000 0.275 193 K C -0.942 175.491 176.600 -0.279 0.000 1.024 193 K CA -0.500 55.683 56.287 -0.174 0.000 0.887 193 K CB 1.026 33.463 32.500 -0.106 0.000 1.084 193 K HN 0.730 nan 8.250 nan 0.000 0.463 194 I N 6.115 126.381 120.570 -0.507 0.000 2.412 194 I HA 0.318 4.488 4.170 0.001 0.000 0.296 194 I C -0.498 175.351 176.117 -0.446 0.000 0.987 194 I CA -0.791 60.147 61.300 -0.604 0.000 1.180 194 I CB 1.221 38.479 38.000 -1.237 0.000 1.340 194 I HN 0.617 nan 8.210 nan 0.000 0.455 195 L N 5.850 126.938 121.223 -0.226 0.000 2.417 195 L HA 0.491 4.832 4.340 0.001 0.000 0.259 195 L C 0.625 177.466 176.870 -0.048 0.000 1.023 195 L CA -0.149 54.623 54.840 -0.114 0.000 0.901 195 L CB 1.365 43.379 42.059 -0.076 0.000 1.227 195 L HN 0.806 nan 8.230 nan 0.000 0.454 196 G N 0.594 109.392 108.800 -0.004 0.000 2.694 196 G HA2 0.047 4.008 3.960 0.001 0.000 0.212 196 G HA3 0.047 4.008 3.960 0.001 0.000 0.212 196 G C 0.268 175.196 174.900 0.047 0.000 2.030 196 G CA 0.202 45.327 45.100 0.043 0.000 0.731 196 G HN 0.363 nan 8.290 nan 0.000 0.795 197 D N 0.051 120.496 120.400 0.076 0.000 2.333 197 D HA 0.292 4.933 4.640 0.001 0.000 0.208 197 D C 1.200 177.538 176.300 0.063 0.000 0.984 197 D CA 0.951 54.985 54.000 0.057 0.000 0.873 197 D CB 0.760 41.593 40.800 0.054 0.000 0.935 197 D HN 0.371 nan 8.370 nan 0.000 0.521 198 G N -1.232 107.628 108.800 0.100 0.000 3.107 198 G HA2 0.481 4.442 3.960 0.001 0.000 0.233 198 G HA3 0.481 4.442 3.960 0.001 0.000 0.233 198 G C -1.294 173.666 174.900 0.099 0.000 1.168 198 G CA -0.285 44.877 45.100 0.104 0.000 0.801 198 G HN -0.018 nan 8.290 nan 0.000 0.605 199 S N -0.557 115.225 115.700 0.136 0.000 2.649 199 S HA 0.715 5.185 4.470 0.001 0.000 0.274 199 S C -1.321 173.374 174.600 0.157 0.000 1.176 199 S CA -0.780 57.451 58.200 0.052 0.000 0.988 199 S CB 0.220 63.427 63.200 0.012 0.000 1.071 199 S HN 1.317 nan 8.310 nan 0.000 0.478 200 F N 1.540 121.484 119.950 -0.009 0.000 2.685 200 F HA 0.855 5.383 4.527 0.001 0.000 0.315 200 F C -0.713 175.080 175.800 -0.012 0.000 1.126 200 F CA -1.024 56.969 58.000 -0.011 0.000 0.950 200 F CB 0.818 39.809 39.000 -0.016 0.000 1.360 200 F HN 0.431 nan 8.300 nan 0.000 0.469 201 E N 0.104 120.419 120.200 0.192 0.000 2.339 201 E HA 0.821 5.171 4.350 0.001 0.000 0.262 201 E C -0.589 176.118 176.600 0.180 0.000 0.934 201 E CA -1.387 55.060 56.400 0.077 0.000 0.802 201 E CB 2.455 32.183 29.700 0.047 0.000 1.275 201 E HN 1.149 nan 8.360 nan 0.000 0.427 202 G N 0.062 108.924 108.800 0.103 0.000 2.341 202 G HA2 0.201 4.161 3.960 0.001 0.000 0.293 202 G HA3 0.201 4.161 3.960 0.001 0.000 0.293 202 G C -1.647 173.300 174.900 0.079 0.000 1.298 202 G CA -0.985 44.180 45.100 0.107 0.000 0.868 202 G HN 0.250 nan 8.290 nan 0.000 0.540 203 I N 1.284 121.897 120.570 0.071 0.000 2.396 203 I HA 0.523 4.693 4.170 0.001 0.000 0.292 203 I C 1.127 177.279 176.117 0.059 0.000 0.999 203 I CA -0.609 60.732 61.300 0.069 0.000 1.310 203 I CB 1.125 39.160 38.000 0.058 0.000 1.404 203 I HN 0.812 nan 8.210 nan 0.000 0.496 204 A N 5.728 128.591 122.820 0.072 0.000 2.671 204 A HA 0.142 4.463 4.320 0.001 0.000 0.306 204 A C 1.314 178.925 177.584 0.045 0.000 1.473 204 A CA -0.286 51.777 52.037 0.043 0.000 1.155 204 A CB -0.411 18.644 19.000 0.092 0.000 1.123 204 A HN 0.876 nan 8.150 nan 0.000 0.545 205 E N 1.428 121.640 120.200 0.020 0.000 2.046 205 E HA -0.091 4.260 4.350 0.001 0.000 0.190 205 E C 0.407 177.017 176.600 0.017 0.000 0.982 205 E CA 1.155 57.568 56.400 0.021 0.000 0.800 205 E CB 0.176 29.884 29.700 0.012 0.000 0.756 205 E HN 0.816 nan 8.360 nan 0.000 0.449 206 D N -1.653 118.746 120.400 -0.001 0.000 2.918 206 D HA 0.128 4.769 4.640 0.001 0.000 0.342 206 D C -1.415 174.876 176.300 -0.015 0.000 1.403 206 D CA -0.278 53.724 54.000 0.003 0.000 0.776 206 D CB 0.398 41.204 40.800 0.010 0.000 1.365 206 D HN 0.118 nan 8.370 nan 0.000 0.468 207 I N -0.774 119.799 120.570 0.006 0.000 2.689 207 I HA 0.605 4.775 4.170 0.001 0.000 0.299 207 I C -0.538 175.619 176.117 0.067 0.000 1.059 207 I CA -0.863 60.458 61.300 0.034 0.000 1.055 207 I CB 1.990 40.032 38.000 0.071 0.000 1.243 207 I HN 0.216 nan 8.210 nan 0.000 0.425 208 D N 1.947 122.420 120.400 0.123 0.000 2.451 208 D HA 0.187 4.827 4.640 0.001 0.000 0.259 208 D C 0.021 176.433 176.300 0.186 0.000 1.201 208 D CA -0.413 53.682 54.000 0.159 0.000 1.028 208 D CB 0.572 41.501 40.800 0.214 0.000 1.095 208 D HN 0.537 nan 8.370 nan 0.000 0.539 209 D N -1.438 119.056 120.400 0.157 0.000 2.390 209 D HA 0.024 4.664 4.640 0.001 0.000 0.235 209 D C 0.274 176.551 176.300 -0.038 0.000 1.040 209 D CA 0.525 54.545 54.000 0.033 0.000 0.923 209 D CB -0.279 40.480 40.800 -0.069 0.000 0.886 209 D HN 0.311 nan 8.370 nan 0.000 0.532 210 F N -1.094 118.936 119.950 0.132 0.000 2.717 210 F HA 0.284 4.811 4.527 0.000 0.000 0.297 210 F C 2.070 178.021 175.800 0.253 0.000 1.113 210 F CA 0.255 58.351 58.000 0.159 0.000 1.319 210 F CB 0.780 39.857 39.000 0.129 0.000 1.097 210 F HN 0.030 nan 8.300 nan 0.000 0.595 211 G N 0.683 109.766 108.800 0.471 0.000 2.179 211 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 211 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 211 G C 0.348 175.652 174.900 0.675 0.000 0.990 211 G CA -0.618 44.875 45.100 0.656 0.000 0.646 211 G HN 0.253 nan 8.290 nan 0.000 0.517 212 R N -0.144 120.628 120.500 0.453 0.000 2.491 212 R HA 0.490 4.830 4.340 0.001 0.000 0.283 212 R C 0.174 176.535 176.300 0.101 0.000 1.072 212 R CA -0.552 55.734 56.100 0.311 0.000 1.048 212 R CB 0.971 31.378 30.300 0.179 0.000 0.983 212 R HN 0.221 nan 8.270 nan 0.000 0.450 213 L N 4.380 125.454 121.223 -0.248 0.000 2.319 213 L HA 0.198 4.538 4.340 0.001 0.000 0.280 213 L C -0.536 176.176 176.870 -0.262 0.000 1.099 213 L CA 0.041 54.562 54.840 -0.533 0.000 0.828 213 L CB 0.630 41.859 42.059 -1.382 0.000 1.150 213 L HN 0.444 nan 8.230 nan 0.000 0.442 214 I N 6.918 127.401 120.570 -0.145 0.000 2.337 214 I HA 0.221 4.391 4.170 0.001 0.000 0.291 214 I C -0.047 176.036 176.117 -0.056 0.000 1.046 214 I CA -0.236 61.021 61.300 -0.071 0.000 1.324 214 I CB 0.530 38.514 38.000 -0.028 0.000 1.409 214 I HN 0.398 nan 8.210 nan 0.000 0.494 215 I N 6.719 127.275 120.570 -0.024 0.000 2.378 215 I HA 0.331 4.501 4.170 0.001 0.000 0.291 215 I C 0.486 176.618 176.117 0.025 0.000 0.992 215 I CA -0.656 60.665 61.300 0.035 0.000 1.154 215 I CB 1.484 39.592 38.000 0.180 0.000 1.315 215 I HN 0.498 nan 8.210 nan 0.000 0.448 216 R N 6.717 127.234 120.500 0.029 0.000 2.215 216 R HA 0.510 4.851 4.340 0.001 0.000 0.337 216 R C -0.621 175.697 176.300 0.030 0.000 1.010 216 R CA -0.567 55.542 56.100 0.015 0.000 0.871 216 R CB 0.552 30.861 30.300 0.014 0.000 1.134 216 R HN 0.532 nan 8.270 nan 0.000 0.477 217 L N 3.408 124.639 121.223 0.014 0.000 2.483 217 L HA -0.028 4.313 4.340 0.001 0.000 0.275 217 L C 1.196 178.079 176.870 0.022 0.000 1.220 217 L CA -0.319 54.536 54.840 0.026 0.000 0.833 217 L CB 0.543 42.590 42.059 -0.020 0.000 1.102 217 L HN 0.637 nan 8.230 nan 0.000 0.490 218 D N 0.332 120.750 120.400 0.031 0.000 2.158 218 D HA -0.182 4.458 4.640 0.001 0.000 0.197 218 D C 2.152 178.460 176.300 0.012 0.000 0.995 218 D CA 1.819 55.833 54.000 0.024 0.000 0.846 218 D CB -0.080 40.737 40.800 0.028 0.000 0.941 218 D HN 0.764 nan 8.370 nan 0.000 0.456 219 S N -0.573 115.130 115.700 0.005 0.000 2.387 219 S HA -0.069 4.401 4.470 0.001 0.000 0.230 219 S C 1.901 176.499 174.600 -0.005 0.000 1.035 219 S CA 1.852 60.050 58.200 -0.003 0.000 1.014 219 S CB -0.117 63.076 63.200 -0.011 0.000 0.836 219 S HN 0.427 nan 8.310 nan 0.000 0.466 220 G N -0.023 108.773 108.800 -0.006 0.000 2.551 220 G HA2 -0.087 3.874 3.960 0.001 0.000 0.186 220 G HA3 -0.087 3.874 3.960 0.001 0.000 0.186 220 G C -0.163 174.728 174.900 -0.014 0.000 1.002 220 G CA -0.143 44.954 45.100 -0.006 0.000 0.723 220 G HN 0.415 nan 8.290 nan 0.000 0.481 221 E N 0.602 120.787 120.200 -0.025 0.000 2.371 221 E HA 0.528 4.879 4.350 0.001 0.000 0.257 221 E C 0.512 177.085 176.600 -0.045 0.000 1.134 221 E CA 0.147 56.524 56.400 -0.039 0.000 0.919 221 E CB 2.120 31.787 29.700 -0.055 0.000 1.025 221 E HN 0.952 nan 8.360 nan 0.000 0.438 222 V N -1.464 118.417 119.914 -0.055 0.000 2.715 222 V HA 0.655 4.775 4.120 0.001 0.000 0.310 222 V C -0.378 175.656 176.094 -0.101 0.000 1.054 222 V CA -0.900 61.365 62.300 -0.058 0.000 0.928 222 V CB 1.876 33.678 31.823 -0.036 0.000 1.007 222 V HN 0.524 nan 8.190 nan 0.000 0.437 223 K N 2.277 122.602 120.400 -0.124 0.000 2.316 223 K HA 0.631 4.951 4.320 0.001 0.000 0.251 223 K C -0.931 175.607 176.600 -0.104 0.000 0.934 223 K CA -0.725 55.443 56.287 -0.197 0.000 0.802 223 K CB 2.020 34.232 32.500 -0.481 0.000 1.171 223 K HN 0.871 nan 8.250 nan 0.000 0.426 224 K N 2.308 122.655 120.400 -0.089 0.000 2.244 224 K HA 0.407 4.727 4.320 0.001 0.000 0.260 224 K C -1.168 175.424 176.600 -0.013 0.000 0.951 224 K CA -0.921 55.336 56.287 -0.050 0.000 0.826 224 K CB 2.087 34.561 32.500 -0.043 0.000 1.108 224 K HN 0.199 nan 8.250 nan 0.000 0.433 225 V N 4.818 124.713 119.914 -0.031 0.000 2.459 225 V HA 0.433 4.553 4.120 0.001 0.000 0.295 225 V C 0.140 176.315 176.094 0.135 0.000 1.029 225 V CA -0.971 61.343 62.300 0.024 0.000 0.874 225 V CB 1.135 32.901 31.823 -0.094 0.000 0.985 225 V HN 0.676 nan 8.190 nan 0.000 0.438 226 I N 1.484 122.198 120.570 0.240 0.000 2.577 226 I HA 0.582 4.752 4.170 0.001 0.000 0.305 226 I C -0.300 176.095 176.117 0.463 0.000 0.986 226 I CA -0.961 60.547 61.300 0.346 0.000 1.189 226 I CB 1.087 39.213 38.000 0.210 0.000 1.355 226 I HN 0.623 nan 8.210 nan 0.000 0.476 227 Y N 3.816 124.304 120.300 0.312 0.000 2.610 227 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 227 Y C 0.606 176.538 175.900 0.054 0.000 1.201 227 Y CA 1.582 59.738 58.100 0.093 0.000 1.465 227 Y CB 0.369 38.772 38.460 -0.096 0.000 1.283 227 Y HN 0.986 nan 8.280 nan 0.000 0.563 228 G N 4.004 112.455 108.800 -0.582 0.000 2.591 228 G HA2 -0.104 3.857 3.960 0.001 0.000 0.104 228 G HA3 -0.104 3.857 3.960 0.001 0.000 0.104 228 G C -1.288 173.409 174.900 -0.337 0.000 1.097 228 G CA -0.290 44.579 45.100 -0.385 0.000 1.076 228 G HN 0.540 nan 8.290 nan 0.000 0.485 229 D N 0.823 121.130 120.400 -0.154 0.000 2.845 229 D HA 0.463 5.104 4.640 0.001 0.000 0.235 229 D C -0.056 176.204 176.300 -0.067 0.000 1.158 229 D CA 0.132 54.066 54.000 -0.109 0.000 0.990 229 D CB -0.012 40.752 40.800 -0.061 0.000 1.094 229 D HN 0.292 nan 8.370 nan 0.000 0.486 230 V N 0.697 120.563 119.914 -0.079 0.000 2.680 230 V HA 0.495 4.615 4.120 0.001 0.000 0.309 230 V C 0.001 176.092 176.094 -0.004 0.000 1.052 230 V CA -0.974 61.328 62.300 0.003 0.000 0.908 230 V CB 1.899 33.800 31.823 0.129 0.000 1.001 230 V HN 0.203 nan 8.190 nan 0.000 0.431 231 S N 3.729 119.426 115.700 -0.005 0.000 2.503 231 S HA 0.835 5.306 4.470 0.001 0.000 0.301 231 S C -1.140 173.447 174.600 -0.022 0.000 1.087 231 S CA -0.528 57.663 58.200 -0.015 0.000 1.042 231 S CB 1.282 64.463 63.200 -0.032 0.000 1.043 231 S HN 0.689 nan 8.310 nan 0.000 0.489 232 L N 4.399 125.609 121.223 -0.023 0.000 2.410 232 L HA 0.714 5.054 4.340 0.001 0.000 0.270 232 L C -0.743 176.026 176.870 -0.168 0.000 0.983 232 L CA -0.585 54.202 54.840 -0.088 0.000 0.822 232 L CB 1.549 43.605 42.059 -0.005 0.000 1.285 232 L HN 0.791 nan 8.230 nan 0.000 0.409 233 R N 3.692 124.073 120.500 -0.200 0.000 2.628 233 R HA 0.494 4.834 4.340 0.001 0.000 0.288 233 R C -1.654 174.545 176.300 -0.169 0.000 0.980 233 R CA -0.579 55.427 56.100 -0.157 0.000 0.891 233 R CB 1.343 31.610 30.300 -0.055 0.000 1.188 233 R HN 0.446 nan 8.270 nan 0.000 0.450 234 F N 4.431 124.420 119.950 0.066 0.000 2.456 234 F HA 0.274 4.801 4.527 0.000 0.000 0.358 234 F C 0.471 176.271 175.800 -0.001 0.000 1.095 234 F CA -0.049 57.983 58.000 0.054 0.000 1.216 234 F CB 0.638 39.691 39.000 0.089 0.000 1.125 234 F HN 0.233 nan 8.300 nan 0.000 0.549 235 L N 0.000 121.331 121.223 0.179 0.000 2.949 235 L HA 0.000 4.340 4.340 0.001 0.000 0.249 235 L CA 0.000 54.889 54.840 0.082 0.000 0.813 235 L CB 0.000 42.091 42.059 0.053 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502