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 3os1_1_A DATA FIRST_RESID 10 DATA SEQUENCE AELDQLLQGH YIKGYPKQYT YFLEDGKVKV SRPEGVKIIP PQSDRQKIVL DATA SEQUENCE QAHNLAHTGR EATLLKIANL YWWPNMRKDV VKQLGRCQQC LITNASNKAS DATA SEQUENCE GPILRPDRPQ KPFDKFFIDY IGPLPPSQGY LYVLVVVDGM TGFTWLYPTK DATA SEQUENCE APSTSATVKS LNVLTSIAIP KVIHSDQGAA FTSSTFAEWA KERGIHLEFS DATA SEQUENCE TPYHPQSSGK VERKNSDIKR LLTKLLVGRP TKWYDLLPVV QLALNNTYSP DATA SEQUENCE VLKYTPHQLL FGIDSNTPFA NQDTLDLTRE EELSLLQEIR TSLYHPSTPP DATA SEQUENCE ASSRSWSPVV GQLVQERVAR PASLRPRWHK PSTVLKVLNP RTVVILDHLG DATA SEQUENCE NNRTVSIDNL KPTSH 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.550 177.584 -0.056 0.000 1.274 10 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 10 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 11 E N 0.986 121.142 120.200 -0.073 0.000 2.079 11 E HA 0.072 4.423 4.350 0.001 0.000 0.191 11 E C 0.190 176.731 176.600 -0.097 0.000 0.961 11 E CA 0.638 56.992 56.400 -0.077 0.000 0.823 11 E CB -0.139 29.515 29.700 -0.076 0.000 0.789 11 E HN 0.625 nan 8.360 nan 0.000 0.459 12 L N 3.627 124.774 121.223 -0.127 0.000 2.422 12 L HA 0.188 4.529 4.340 0.001 0.000 0.256 12 L C 0.584 177.333 176.870 -0.200 0.000 1.202 12 L CA -0.085 54.645 54.840 -0.182 0.000 1.119 12 L CB 0.272 42.189 42.059 -0.237 0.000 1.383 12 L HN 0.238 nan 8.230 nan 0.000 0.411 13 D N -0.244 120.074 120.400 -0.136 0.000 2.433 13 D HA -0.072 4.569 4.640 0.001 0.000 0.211 13 D C 1.222 177.482 176.300 -0.067 0.000 1.114 13 D CA -0.080 53.859 54.000 -0.102 0.000 0.837 13 D CB 0.414 41.183 40.800 -0.051 0.000 0.984 13 D HN 0.319 nan 8.370 nan 0.000 0.505 14 Q N 0.709 120.469 119.800 -0.068 0.000 2.308 14 Q HA -0.087 4.254 4.340 0.001 0.000 0.209 14 Q C 2.094 178.138 176.000 0.073 0.000 0.985 14 Q CA 1.060 56.884 55.803 0.035 0.000 0.881 14 Q CB -0.387 28.328 28.738 -0.038 0.000 0.917 14 Q HN 0.319 nan 8.270 nan 0.000 0.443 15 L N -0.602 120.577 121.223 -0.073 0.000 2.042 15 L HA -0.214 4.127 4.340 0.001 0.000 0.210 15 L C 1.972 178.869 176.870 0.046 0.000 1.076 15 L CA 1.246 56.036 54.840 -0.083 0.000 0.749 15 L CB -0.546 41.281 42.059 -0.386 0.000 0.893 15 L HN 0.229 nan 8.230 nan 0.000 0.432 16 L N -1.022 120.222 121.223 0.035 0.000 2.127 16 L HA -0.229 4.112 4.340 0.001 0.000 0.211 16 L C 1.796 178.715 176.870 0.082 0.000 1.089 16 L CA 1.155 56.045 54.840 0.083 0.000 0.757 16 L CB -0.273 41.824 42.059 0.062 0.000 0.899 16 L HN 0.345 nan 8.230 nan 0.000 0.434 17 Q N -0.692 119.151 119.800 0.073 0.000 2.211 17 Q HA 0.204 4.544 4.340 0.001 0.000 0.231 17 Q C 1.115 177.078 176.000 -0.061 0.000 0.865 17 Q CA 0.424 56.251 55.803 0.039 0.000 0.997 17 Q CB 0.678 29.470 28.738 0.090 0.000 1.101 17 Q HN 0.427 nan 8.270 nan 0.000 0.468 18 G N 0.527 109.328 108.800 0.002 0.000 2.155 18 G HA2 -0.272 3.689 3.960 0.001 0.000 0.257 18 G HA3 -0.272 3.689 3.960 0.001 0.000 0.257 18 G C -0.047 174.825 174.900 -0.047 0.000 0.983 18 G CA -0.057 45.037 45.100 -0.011 0.000 0.676 18 G HN 0.463 nan 8.290 nan 0.000 0.528 19 H N -1.196 117.914 119.070 0.066 0.000 2.615 19 H HA 0.391 4.948 4.556 0.001 0.000 0.363 19 H C 0.093 175.486 175.328 0.107 0.000 1.148 19 H CA -0.059 56.033 56.048 0.073 0.000 1.401 19 H CB 0.917 30.694 29.762 0.024 0.000 1.461 19 H HN 0.219 nan 8.280 nan 0.000 0.588 20 Y N 1.718 122.116 120.300 0.164 0.000 2.308 20 Y HA 0.340 4.890 4.550 0.001 0.000 0.329 20 Y C -0.568 175.377 175.900 0.074 0.000 1.111 20 Y CA -0.506 57.662 58.100 0.114 0.000 1.179 20 Y CB 0.380 38.907 38.460 0.112 0.000 1.201 20 Y HN 0.394 nan 8.280 nan 0.000 0.483 21 I N 5.785 125.922 120.570 -0.722 0.000 2.478 21 I HA 0.339 4.509 4.170 0.001 0.000 0.287 21 I C -0.275 175.449 176.117 -0.655 0.000 1.042 21 I CA -1.102 59.872 61.300 -0.544 0.000 1.067 21 I CB 1.465 39.223 38.000 -0.403 0.000 1.233 21 I HN 0.708 nan 8.210 nan 0.000 0.431 22 K N 4.106 124.288 120.400 -0.364 0.000 2.473 22 K HA 0.369 4.690 4.320 0.001 0.000 0.277 22 K C 1.107 177.731 176.600 0.041 0.000 1.052 22 K CA 0.745 56.980 56.287 -0.086 0.000 1.114 22 K CB -0.629 31.920 32.500 0.082 0.000 0.869 22 K HN 1.206 nan 8.250 nan 0.000 0.481 23 G N 0.980 109.840 108.800 0.101 0.000 2.232 23 G HA2 -0.195 3.766 3.960 0.001 0.000 0.226 23 G HA3 -0.195 3.766 3.960 0.001 0.000 0.226 23 G C 0.014 174.957 174.900 0.071 0.000 0.996 23 G CA 0.207 45.350 45.100 0.070 0.000 0.626 23 G HN 0.849 nan 8.290 nan 0.000 0.509 24 Y N 2.306 122.659 120.300 0.089 0.000 2.454 24 Y HA 0.503 5.053 4.550 0.001 0.000 0.345 24 Y C -1.843 174.265 175.900 0.347 0.000 0.970 24 Y CA -2.061 56.182 58.100 0.238 0.000 1.204 24 Y CB 1.213 39.677 38.460 0.007 0.000 1.122 24 Y HN -0.009 nan 8.280 nan 0.000 0.514 25 P HA -0.071 nan 4.420 nan 0.000 0.264 25 P C 0.586 178.177 177.300 0.484 0.000 1.179 25 P CA 0.007 63.377 63.100 0.450 0.000 0.763 25 P CB 0.978 32.926 31.700 0.412 0.000 0.806 26 K N 2.373 122.976 120.400 0.338 0.000 2.334 26 K HA -0.041 4.280 4.320 0.001 0.000 0.195 26 K C 1.690 178.346 176.600 0.093 0.000 1.045 26 K CA 0.828 57.294 56.287 0.299 0.000 1.004 26 K CB 0.190 32.845 32.500 0.259 0.000 0.837 26 K HN 0.588 nan 8.250 nan 0.000 0.510 27 Q N -0.701 119.056 119.800 -0.072 0.000 2.439 27 Q HA -0.097 4.244 4.340 0.001 0.000 0.211 27 Q C -0.139 175.641 176.000 -0.367 0.000 0.978 27 Q CA 0.799 56.455 55.803 -0.245 0.000 0.897 27 Q CB -0.262 28.264 28.738 -0.353 0.000 0.956 27 Q HN 0.042 nan 8.270 nan 0.000 0.483 28 Y N 1.860 122.070 120.300 -0.149 0.000 2.374 28 Y HA 0.302 4.852 4.550 0.001 0.000 0.322 28 Y C 0.472 176.099 175.900 -0.456 0.000 1.275 28 Y CA -0.718 57.176 58.100 -0.343 0.000 1.307 28 Y CB 1.335 39.477 38.460 -0.531 0.000 1.282 28 Y HN -0.044 nan 8.280 nan 0.000 0.509 29 T N -0.888 113.524 114.554 -0.237 0.000 2.779 29 T HA 0.538 4.888 4.350 0.001 0.000 0.280 29 T C -1.389 173.146 174.700 -0.274 0.000 0.987 29 T CA -0.815 61.186 62.100 -0.165 0.000 0.966 29 T CB 0.109 69.009 68.868 0.053 0.000 0.933 29 T HN 0.326 nan 8.240 nan 0.000 0.442 30 Y N 3.665 124.011 120.300 0.076 0.000 2.356 30 Y HA 0.558 5.109 4.550 0.001 0.000 0.334 30 Y C 0.050 175.950 175.900 0.000 0.000 0.958 30 Y CA -1.709 56.355 58.100 -0.059 0.000 1.196 30 Y CB 0.353 38.803 38.460 -0.017 0.000 1.137 30 Y HN 0.773 nan 8.280 nan 0.000 0.485 31 F N 1.374 121.416 119.950 0.153 0.000 2.656 31 F HA 0.878 5.405 4.527 0.001 0.000 0.394 31 F C -1.350 174.506 175.800 0.093 0.000 1.168 31 F CA -1.811 56.248 58.000 0.099 0.000 1.135 31 F CB 0.700 39.734 39.000 0.057 0.000 1.480 31 F HN 0.158 nan 8.300 nan 0.000 0.500 32 L N 0.634 122.105 121.223 0.413 0.000 2.439 32 L HA 0.616 4.956 4.340 0.001 0.000 0.270 32 L C -1.354 175.681 176.870 0.274 0.000 0.972 32 L CA -0.400 54.590 54.840 0.250 0.000 0.836 32 L CB 1.667 43.814 42.059 0.146 0.000 1.255 32 L HN 0.817 nan 8.230 nan 0.000 0.404 33 E N 2.553 122.895 120.200 0.237 0.000 2.408 33 E HA 0.448 4.799 4.350 0.001 0.000 0.275 33 E C -0.725 175.944 176.600 0.115 0.000 0.935 33 E CA -0.471 56.032 56.400 0.171 0.000 0.775 33 E CB 1.792 31.616 29.700 0.207 0.000 1.277 33 E HN 0.745 nan 8.360 nan 0.000 0.455 34 D N 0.287 120.736 120.400 0.081 0.000 2.921 34 D HA -0.227 4.413 4.640 0.001 0.000 0.202 34 D C 0.632 176.966 176.300 0.055 0.000 1.082 34 D CA 2.130 56.166 54.000 0.061 0.000 1.014 34 D CB -0.989 39.846 40.800 0.059 0.000 1.120 34 D HN 0.837 nan 8.370 nan 0.000 0.416 35 G N -0.590 108.247 108.800 0.062 0.000 2.145 35 G HA2 -0.240 3.720 3.960 0.001 0.000 0.176 35 G HA3 -0.240 3.720 3.960 0.001 0.000 0.176 35 G C -0.130 174.804 174.900 0.056 0.000 1.013 35 G CA 0.195 45.327 45.100 0.053 0.000 0.689 35 G HN 0.486 nan 8.290 nan 0.000 0.506 36 K N -0.504 119.937 120.400 0.068 0.000 2.469 36 K HA 0.660 4.980 4.320 0.001 0.000 0.254 36 K C -0.207 176.431 176.600 0.062 0.000 0.939 36 K CA -1.055 55.273 56.287 0.069 0.000 0.812 36 K CB 3.021 35.568 32.500 0.077 0.000 1.301 36 K HN 0.073 nan 8.250 nan 0.000 0.433 37 V N 2.966 122.912 119.914 0.053 0.000 2.408 37 V HA 0.210 4.331 4.120 0.001 0.000 0.267 37 V C -0.034 176.060 176.094 -0.001 0.000 1.047 37 V CA -0.350 61.967 62.300 0.027 0.000 0.937 37 V CB 0.123 31.963 31.823 0.029 0.000 0.999 37 V HN 0.616 nan 8.190 nan 0.000 0.472 38 K N 3.187 123.485 120.400 -0.170 0.000 2.280 38 K HA 0.858 5.178 4.320 0.001 0.000 0.234 38 K C -1.234 175.090 176.600 -0.459 0.000 1.028 38 K CA -0.920 55.175 56.287 -0.319 0.000 0.882 38 K CB 2.692 34.929 32.500 -0.439 0.000 1.194 38 K HN 0.395 nan 8.250 nan 0.000 0.458 39 V N 0.332 120.026 119.914 -0.366 0.000 2.733 39 V HA 0.196 4.317 4.120 0.001 0.000 0.306 39 V C -1.065 174.857 176.094 -0.287 0.000 1.084 39 V CA -0.488 61.612 62.300 -0.333 0.000 0.905 39 V CB 2.011 33.748 31.823 -0.142 0.000 1.010 39 V HN 0.800 nan 8.190 nan 0.000 0.424 40 S N 7.184 122.762 115.700 -0.202 0.000 2.481 40 S HA 0.591 5.062 4.470 0.001 0.000 0.276 40 S C -0.174 174.280 174.600 -0.242 0.000 1.247 40 S CA -0.273 57.893 58.200 -0.057 0.000 1.053 40 S CB -0.132 63.137 63.200 0.114 0.000 0.925 40 S HN 0.755 nan 8.310 nan 0.000 0.491 41 R N 3.878 124.243 120.500 -0.225 0.000 2.795 41 R HA 0.325 4.665 4.340 0.001 0.000 0.275 41 R C -1.968 174.243 176.300 -0.148 0.000 0.981 41 R CA -2.060 53.832 56.100 -0.346 0.000 0.917 41 R CB 1.020 31.061 30.300 -0.431 0.000 1.202 41 R HN 0.314 nan 8.270 nan 0.000 0.469 42 P HA -0.274 nan 4.420 nan 0.000 0.217 42 P C 1.382 178.657 177.300 -0.040 0.000 1.162 42 P CA 2.216 65.297 63.100 -0.032 0.000 0.901 42 P CB 0.222 31.916 31.700 -0.010 0.000 0.793 43 E N -0.185 119.978 120.200 -0.061 0.000 2.118 43 E HA 0.118 4.469 4.350 0.001 0.000 0.195 43 E C 1.256 177.834 176.600 -0.036 0.000 0.992 43 E CA 1.639 58.015 56.400 -0.041 0.000 0.804 43 E CB -1.010 28.667 29.700 -0.038 0.000 0.741 43 E HN 0.492 nan 8.360 nan 0.000 0.458 44 G N -2.664 106.106 108.800 -0.051 0.000 2.350 44 G HA2 0.321 4.281 3.960 0.001 0.000 0.276 44 G HA3 0.321 4.281 3.960 0.001 0.000 0.276 44 G C -1.161 173.715 174.900 -0.041 0.000 1.313 44 G CA -0.225 44.856 45.100 -0.032 0.000 0.903 44 G HN 0.707 nan 8.290 nan 0.000 0.490 45 V N 2.011 121.920 119.914 -0.009 0.000 2.432 45 V HA 0.595 4.716 4.120 0.001 0.000 0.275 45 V C -0.183 175.898 176.094 -0.022 0.000 1.043 45 V CA -0.509 61.792 62.300 0.002 0.000 0.925 45 V CB 1.196 33.075 31.823 0.094 0.000 0.985 45 V HN 0.620 nan 8.190 nan 0.000 0.466 46 K N 4.421 124.798 120.400 -0.038 0.000 2.306 46 K HA 0.702 5.022 4.320 0.001 0.000 0.236 46 K C -0.808 175.812 176.600 0.033 0.000 1.013 46 K CA -0.804 55.485 56.287 0.003 0.000 0.857 46 K CB 2.695 35.245 32.500 0.082 0.000 1.214 46 K HN 0.452 nan 8.250 nan 0.000 0.449 47 I N 1.776 122.391 120.570 0.075 0.000 2.441 47 I HA 0.389 4.559 4.170 0.001 0.000 0.295 47 I C -0.112 176.247 176.117 0.403 0.000 0.994 47 I CA -0.802 60.592 61.300 0.158 0.000 1.144 47 I CB 1.213 39.245 38.000 0.054 0.000 1.314 47 I HN 0.275 nan 8.210 nan 0.000 0.445 48 I N 7.730 128.505 120.570 0.341 0.000 2.330 48 I HA 0.323 4.494 4.170 0.001 0.000 0.286 48 I C -2.242 174.020 176.117 0.242 0.000 1.025 48 I CA -1.784 59.748 61.300 0.386 0.000 1.197 48 I CB 0.937 39.169 38.000 0.386 0.000 1.358 48 I HN 0.282 nan 8.210 nan 0.000 0.467 49 P HA 0.328 nan 4.420 nan 0.000 0.282 49 P C -2.632 174.588 177.300 -0.134 0.000 1.249 49 P CA -1.980 61.114 63.100 -0.009 0.000 0.806 49 P CB 0.316 31.919 31.700 -0.163 0.000 0.984 50 P HA -0.028 nan 4.420 nan 0.000 0.267 50 P C 1.044 178.202 177.300 -0.238 0.000 1.200 50 P CA 0.200 63.212 63.100 -0.145 0.000 0.772 50 P CB 0.652 32.288 31.700 -0.105 0.000 0.855 51 Q N 3.136 122.797 119.800 -0.233 0.000 2.156 51 Q HA -0.263 4.077 4.340 0.001 0.000 0.211 51 Q C 2.047 177.886 176.000 -0.268 0.000 0.995 51 Q CA 3.022 58.654 55.803 -0.286 0.000 0.877 51 Q CB -0.831 27.789 28.738 -0.197 0.000 0.920 51 Q HN 0.596 nan 8.270 nan 0.000 0.416 52 S N -0.548 115.037 115.700 -0.191 0.000 2.382 52 S HA -0.154 4.316 4.470 0.001 0.000 0.228 52 S C 1.304 175.801 174.600 -0.172 0.000 1.027 52 S CA 1.365 59.472 58.200 -0.155 0.000 0.991 52 S CB -0.322 62.812 63.200 -0.110 0.000 0.823 52 S HN 0.388 nan 8.310 nan 0.000 0.469 53 D N 1.164 121.443 120.400 -0.200 0.000 2.355 53 D HA 0.140 4.781 4.640 0.001 0.000 0.218 53 D C 2.040 178.168 176.300 -0.286 0.000 1.004 53 D CA 0.266 54.147 54.000 -0.199 0.000 0.880 53 D CB -0.094 40.607 40.800 -0.165 0.000 0.911 53 D HN 0.498 nan 8.370 nan 0.000 0.528 54 R N 0.211 120.466 120.500 -0.409 0.000 2.055 54 R HA -0.034 4.307 4.340 0.001 0.000 0.226 54 R C 2.181 178.303 176.300 -0.296 0.000 1.135 54 R CA 0.603 56.353 56.100 -0.584 0.000 0.959 54 R CB -0.249 29.444 30.300 -1.013 0.000 0.854 54 R HN 0.173 nan 8.270 nan 0.000 0.431 55 Q N 1.501 121.168 119.800 -0.222 0.000 2.096 55 Q HA -0.274 4.066 4.340 0.001 0.000 0.208 55 Q C 2.096 178.042 176.000 -0.089 0.000 0.993 55 Q CA 1.939 57.668 55.803 -0.123 0.000 0.862 55 Q CB -0.022 28.651 28.738 -0.107 0.000 0.915 55 Q HN 0.185 nan 8.270 nan 0.000 0.416 56 K N -0.005 120.335 120.400 -0.101 0.000 2.032 56 K HA -0.167 4.154 4.320 0.001 0.000 0.209 56 K C 2.106 178.673 176.600 -0.055 0.000 1.048 56 K CA 1.551 57.796 56.287 -0.069 0.000 0.927 56 K CB -0.171 32.286 32.500 -0.071 0.000 0.712 56 K HN 0.267 nan 8.250 nan 0.000 0.441 57 I N 0.466 120.983 120.570 -0.088 0.000 2.142 57 I HA -0.286 3.884 4.170 0.001 0.000 0.240 57 I C 2.199 178.322 176.117 0.009 0.000 1.078 57 I CA 0.977 62.235 61.300 -0.069 0.000 1.343 57 I CB -0.198 37.675 38.000 -0.210 0.000 1.046 57 I HN -0.011 nan 8.210 nan 0.000 0.405 58 V N 0.669 120.612 119.914 0.048 0.000 2.324 58 V HA -0.306 3.814 4.120 0.001 0.000 0.250 58 V C 2.404 178.522 176.094 0.041 0.000 1.060 58 V CA 1.716 64.058 62.300 0.070 0.000 1.042 58 V CB -0.631 31.241 31.823 0.082 0.000 0.650 58 V HN 0.333 nan 8.190 nan 0.000 0.450 59 L N -0.289 120.943 121.223 0.015 0.000 1.970 59 L HA -0.226 4.114 4.340 0.001 0.000 0.212 59 L C 2.587 179.478 176.870 0.036 0.000 1.071 59 L CA 2.046 56.901 54.840 0.026 0.000 0.751 59 L CB -0.771 41.290 42.059 0.003 0.000 0.889 59 L HN 0.324 nan 8.230 nan 0.000 0.432 60 Q N -1.167 118.643 119.800 0.015 0.000 2.077 60 Q HA -0.271 4.070 4.340 0.001 0.000 0.206 60 Q C 2.195 178.197 176.000 0.003 0.000 0.989 60 Q CA 1.930 57.737 55.803 0.007 0.000 0.853 60 Q CB -0.389 28.359 28.738 0.017 0.000 0.907 60 Q HN 0.695 nan 8.270 nan 0.000 0.418 61 A N 0.425 123.263 122.820 0.030 0.000 1.865 61 A HA -0.278 4.042 4.320 0.001 0.000 0.217 61 A C 1.799 179.383 177.584 0.001 0.000 1.191 61 A CA 2.040 54.094 52.037 0.028 0.000 0.623 61 A CB -1.036 17.995 19.000 0.052 0.000 0.826 61 A HN 0.564 nan 8.150 nan 0.000 0.444 62 H N 0.216 119.242 119.070 -0.074 0.000 2.319 62 H HA -0.116 4.440 4.556 0.001 0.000 0.299 62 H C 1.731 176.924 175.328 -0.224 0.000 1.092 62 H CA 2.102 58.084 56.048 -0.110 0.000 1.302 62 H CB -0.223 29.484 29.762 -0.092 0.000 1.373 62 H HN 0.390 nan 8.280 nan 0.000 0.497 63 N N 0.258 118.758 118.700 -0.333 0.000 2.519 63 N HA -0.102 4.639 4.740 0.001 0.000 0.186 63 N C 1.846 177.107 175.510 -0.414 0.000 1.062 63 N CA 0.659 53.362 53.050 -0.579 0.000 0.910 63 N CB -0.235 38.096 38.487 -0.259 0.000 0.958 63 N HN 0.445 nan 8.380 nan 0.000 0.445 64 L N -0.496 120.577 121.223 -0.249 0.000 2.012 64 L HA -0.135 4.205 4.340 0.001 0.000 0.210 64 L C 1.273 178.065 176.870 -0.130 0.000 1.073 64 L CA 1.486 56.243 54.840 -0.138 0.000 0.748 64 L CB -0.098 41.912 42.059 -0.081 0.000 0.891 64 L HN 0.143 nan 8.230 nan 0.000 0.431 65 A N -3.599 119.113 122.820 -0.180 0.000 2.569 65 A HA 0.168 4.489 4.320 0.001 0.000 0.284 65 A C -0.009 177.515 177.584 -0.100 0.000 0.948 65 A CA -0.428 51.552 52.037 -0.095 0.000 1.007 65 A CB -0.128 18.842 19.000 -0.050 0.000 1.232 65 A HN 0.414 nan 8.150 nan 0.000 0.530 66 H N 1.715 120.553 119.070 -0.388 0.000 2.527 66 H HA -0.153 4.404 4.556 0.001 0.000 0.321 66 H C 0.418 175.560 175.328 -0.310 0.000 1.092 66 H CA 1.402 57.067 56.048 -0.639 0.000 1.118 66 H CB -1.803 27.804 29.762 -0.258 0.000 1.536 66 H HN 0.763 nan 8.280 nan 0.000 0.407 67 T N -1.984 112.451 114.554 -0.197 0.000 2.913 67 T HA 0.483 4.833 4.350 0.001 0.000 0.297 67 T C 1.378 176.182 174.700 0.174 0.000 1.029 67 T CA -0.279 61.834 62.100 0.023 0.000 1.104 67 T CB 2.318 71.188 68.868 0.003 0.000 0.964 67 T HN 0.409 nan 8.240 nan 0.000 0.532 68 G N 0.691 109.562 108.800 0.119 0.000 2.486 68 G HA2 0.173 4.133 3.960 0.001 0.000 0.272 68 G HA3 0.173 4.133 3.960 0.001 0.000 0.272 68 G C 0.896 175.834 174.900 0.063 0.000 1.426 68 G CA -0.582 44.582 45.100 0.107 0.000 1.058 68 G HN 0.844 nan 8.290 nan 0.000 0.531 69 R N -0.648 119.864 120.500 0.021 0.000 2.113 69 R HA -0.110 4.231 4.340 0.001 0.000 0.231 69 R C 2.471 178.759 176.300 -0.021 0.000 1.129 69 R CA 1.958 58.042 56.100 -0.025 0.000 0.915 69 R CB -0.439 29.839 30.300 -0.036 0.000 0.837 69 R HN 0.572 nan 8.270 nan 0.000 0.430 70 E N 0.217 120.410 120.200 -0.012 0.000 2.017 70 E HA -0.160 4.190 4.350 0.001 0.000 0.193 70 E C 1.952 178.545 176.600 -0.012 0.000 0.997 70 E CA 1.330 57.720 56.400 -0.017 0.000 0.804 70 E CB -0.573 29.122 29.700 -0.009 0.000 0.757 70 E HN 0.464 nan 8.360 nan 0.000 0.448 71 A N 0.924 123.745 122.820 0.002 0.000 1.997 71 A HA -0.228 4.093 4.320 0.001 0.000 0.221 71 A C 2.438 180.026 177.584 0.005 0.000 1.172 71 A CA 2.403 54.443 52.037 0.005 0.000 0.645 71 A CB -0.956 18.051 19.000 0.012 0.000 0.813 71 A HN 0.292 nan 8.150 nan 0.000 0.454 72 T N -0.316 114.248 114.554 0.017 0.000 2.770 72 T HA -0.066 4.285 4.350 0.001 0.000 0.263 72 T C 1.864 176.555 174.700 -0.015 0.000 1.039 72 T CA 1.246 63.360 62.100 0.023 0.000 1.142 72 T CB -0.400 68.506 68.868 0.064 0.000 0.868 72 T HN 0.392 nan 8.240 nan 0.000 0.435 73 L N 1.247 122.443 121.223 -0.045 0.000 1.990 73 L HA -0.093 4.247 4.340 0.001 0.000 0.213 73 L C 2.246 179.074 176.870 -0.070 0.000 1.072 73 L CA 1.682 56.468 54.840 -0.090 0.000 0.755 73 L CB -0.618 41.379 42.059 -0.103 0.000 0.889 73 L HN 0.229 nan 8.230 nan 0.000 0.432 74 L N -0.622 120.577 121.223 -0.041 0.000 2.013 74 L HA -0.273 4.067 4.340 0.001 0.000 0.212 74 L C 2.782 179.643 176.870 -0.014 0.000 1.073 74 L CA 1.415 56.240 54.840 -0.026 0.000 0.753 74 L CB -1.001 41.048 42.059 -0.016 0.000 0.890 74 L HN 0.291 nan 8.230 nan 0.000 0.432 75 K N 0.528 120.925 120.400 -0.005 0.000 2.044 75 K HA -0.177 4.144 4.320 0.001 0.000 0.210 75 K C 2.024 178.644 176.600 0.034 0.000 1.049 75 K CA 1.742 58.036 56.287 0.012 0.000 0.927 75 K CB -0.453 32.055 32.500 0.014 0.000 0.713 75 K HN 0.345 nan 8.250 nan 0.000 0.443 76 I N 0.617 121.202 120.570 0.026 0.000 2.353 76 I HA -0.206 3.964 4.170 0.001 0.000 0.248 76 I C 2.409 178.566 176.117 0.066 0.000 1.119 76 I CA 0.956 62.301 61.300 0.076 0.000 1.417 76 I CB -0.404 37.577 38.000 -0.032 0.000 1.078 76 I HN 0.023 nan 8.210 nan 0.000 0.421 77 A N 1.418 124.228 122.820 -0.016 0.000 1.997 77 A HA -0.265 4.055 4.320 0.001 0.000 0.221 77 A C 2.018 179.607 177.584 0.008 0.000 1.172 77 A CA 2.121 54.151 52.037 -0.012 0.000 0.645 77 A CB -0.813 18.173 19.000 -0.023 0.000 0.813 77 A HN 0.465 nan 8.150 nan 0.000 0.454 78 N N -0.309 118.393 118.700 0.003 0.000 2.192 78 N HA -0.125 4.615 4.740 0.001 0.000 0.188 78 N C 1.413 176.886 175.510 -0.061 0.000 1.013 78 N CA 1.750 54.789 53.050 -0.018 0.000 0.863 78 N CB -0.309 38.172 38.487 -0.011 0.000 0.990 78 N HN 0.612 nan 8.380 nan 0.000 0.430 79 L N -2.550 118.608 121.223 -0.108 0.000 2.624 79 L HA 0.226 4.567 4.340 0.001 0.000 0.222 79 L C -0.232 176.410 176.870 -0.379 0.000 1.046 79 L CA 0.040 54.676 54.840 -0.340 0.000 0.872 79 L CB 0.117 41.787 42.059 -0.647 0.000 1.190 79 L HN -0.063 nan 8.230 nan 0.000 0.487 80 Y N -1.608 118.730 120.300 0.064 0.000 2.549 80 Y HA 0.442 4.993 4.550 0.001 0.000 0.339 80 Y C -0.860 175.100 175.900 0.100 0.000 1.053 80 Y CA -1.012 57.158 58.100 0.118 0.000 1.105 80 Y CB 1.587 40.154 38.460 0.179 0.000 1.258 80 Y HN -0.087 nan 8.280 nan 0.000 0.478 81 W N 3.443 124.841 121.300 0.163 0.000 3.129 81 W HA 0.594 5.254 4.660 0.001 0.000 0.333 81 W C -2.237 174.395 176.519 0.188 0.000 1.141 81 W CA -1.206 56.142 57.345 0.005 0.000 1.224 81 W CB 1.322 30.764 29.460 -0.030 0.000 1.393 81 W HN 0.631 nan 8.180 nan 0.000 0.499 82 W N 5.267 125.932 121.300 -1.058 0.000 3.025 82 W HA 0.757 5.417 4.660 0.001 0.000 0.343 82 W C -2.943 172.472 176.519 -1.839 0.000 1.246 82 W CA -2.632 53.920 57.345 -1.322 0.000 1.178 82 W CB 0.021 29.183 29.460 -0.496 0.000 1.463 82 W HN 0.215 nan 8.180 nan 0.000 0.578 83 P HA 0.033 nan 4.420 nan 0.000 0.271 83 P C -0.423 176.678 177.300 -0.331 0.000 1.216 83 P CA 0.397 63.082 63.100 -0.691 0.000 0.771 83 P CB 0.539 31.923 31.700 -0.526 0.000 0.864 84 N N 1.996 120.516 118.700 -0.300 0.000 2.671 84 N HA -0.176 4.564 4.740 0.001 0.000 0.261 84 N C 0.819 176.219 175.510 -0.183 0.000 1.053 84 N CA 0.526 53.468 53.050 -0.180 0.000 0.732 84 N CB -1.484 36.954 38.487 -0.083 0.000 0.887 84 N HN 0.552 nan 8.380 nan 0.000 0.546 85 M N 0.220 119.555 119.600 -0.442 0.000 2.132 85 M HA -0.081 4.400 4.480 0.001 0.000 0.263 85 M C 2.192 178.351 176.300 -0.235 0.000 1.065 85 M CA 1.567 56.530 55.300 -0.560 0.000 1.122 85 M CB -0.079 31.910 32.600 -1.018 0.000 1.365 85 M HN 0.243 nan 8.290 nan 0.000 0.411 86 R N 0.613 120.989 120.500 -0.208 0.000 2.152 86 R HA -0.132 4.209 4.340 0.001 0.000 0.232 86 R C 2.606 178.845 176.300 -0.102 0.000 1.117 86 R CA 1.719 57.736 56.100 -0.139 0.000 0.981 86 R CB -0.550 29.680 30.300 -0.116 0.000 0.870 86 R HN 0.388 nan 8.270 nan 0.000 0.451 87 K N 1.080 121.434 120.400 -0.077 0.000 2.057 87 K HA -0.143 4.178 4.320 0.001 0.000 0.206 87 K C 1.584 178.161 176.600 -0.037 0.000 1.050 87 K CA 1.818 58.074 56.287 -0.052 0.000 0.935 87 K CB -0.551 31.928 32.500 -0.035 0.000 0.715 87 K HN 0.130 nan 8.250 nan 0.000 0.439 88 D N 0.148 120.558 120.400 0.017 0.000 2.183 88 D HA -0.054 4.586 4.640 0.001 0.000 0.203 88 D C 1.919 178.213 176.300 -0.010 0.000 0.969 88 D CA 1.165 55.193 54.000 0.046 0.000 0.842 88 D CB 0.150 41.083 40.800 0.221 0.000 0.957 88 D HN 0.201 nan 8.370 nan 0.000 0.484 89 V N 1.252 121.138 119.914 -0.048 0.000 2.283 89 V HA -0.193 3.927 4.120 0.001 0.000 0.243 89 V C 2.779 178.763 176.094 -0.184 0.000 1.039 89 V CA 1.553 63.791 62.300 -0.102 0.000 1.016 89 V CB -0.449 31.307 31.823 -0.112 0.000 0.650 89 V HN 0.139 nan 8.190 nan 0.000 0.449 90 V N -0.551 119.236 119.914 -0.212 0.000 2.490 90 V HA -0.159 3.962 4.120 0.001 0.000 0.250 90 V C 2.655 178.565 176.094 -0.308 0.000 1.061 90 V CA 2.245 64.325 62.300 -0.366 0.000 1.064 90 V CB -1.702 29.926 31.823 -0.325 0.000 0.670 90 V HN 0.536 nan 8.190 nan 0.000 0.461 91 K N -0.111 120.189 120.400 -0.166 0.000 2.059 91 K HA -0.272 4.049 4.320 0.001 0.000 0.212 91 K C 2.099 178.627 176.600 -0.120 0.000 1.050 91 K CA 2.279 58.501 56.287 -0.109 0.000 0.927 91 K CB -1.133 31.323 32.500 -0.073 0.000 0.714 91 K HN 0.612 nan 8.250 nan 0.000 0.447 92 Q N -0.051 119.658 119.800 -0.151 0.000 2.119 92 Q HA 0.088 4.429 4.340 0.001 0.000 0.201 92 Q C 2.353 178.215 176.000 -0.231 0.000 0.972 92 Q CA 1.336 57.035 55.803 -0.172 0.000 0.847 92 Q CB -0.240 28.385 28.738 -0.188 0.000 0.903 92 Q HN 0.664 nan 8.270 nan 0.000 0.433 93 L N -0.519 120.524 121.223 -0.300 0.000 2.083 93 L HA -0.084 4.257 4.340 0.001 0.000 0.209 93 L C 2.207 179.082 176.870 0.009 0.000 1.083 93 L CA 1.202 55.890 54.840 -0.254 0.000 0.752 93 L CB -0.795 41.051 42.059 -0.355 0.000 0.899 93 L HN 0.237 nan 8.230 nan 0.000 0.433 94 G N -0.407 108.424 108.800 0.051 0.000 2.559 94 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 94 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 94 G C 1.713 176.640 174.900 0.046 0.000 1.126 94 G CA 0.168 45.372 45.100 0.174 0.000 0.778 94 G HN 0.331 nan 8.290 nan 0.000 0.543 95 R N -1.330 119.167 120.500 -0.006 0.000 2.404 95 R HA 0.161 4.501 4.340 0.001 0.000 0.237 95 R C 0.214 176.518 176.300 0.006 0.000 0.907 95 R CA -0.317 55.779 56.100 -0.008 0.000 1.063 95 R CB 0.272 30.558 30.300 -0.024 0.000 1.134 95 R HN 0.237 nan 8.270 nan 0.000 0.529 96 C N 2.118 121.423 119.300 0.008 0.000 2.416 96 C HA 0.126 4.587 4.460 0.001 0.000 0.355 96 C C 1.799 176.831 174.990 0.071 0.000 1.211 96 C CA -0.464 58.599 59.018 0.075 0.000 1.699 96 C CB 0.352 28.186 27.740 0.156 0.000 2.310 96 C HN 0.441 nan 8.230 nan 0.000 0.539 97 Q N 2.934 122.769 119.800 0.057 0.000 2.096 97 Q HA -0.195 4.146 4.340 0.001 0.000 0.204 97 Q C 2.036 178.047 176.000 0.017 0.000 0.982 97 Q CA 2.309 58.132 55.803 0.033 0.000 0.850 97 Q CB 0.003 28.759 28.738 0.031 0.000 0.901 97 Q HN 0.920 nan 8.270 nan 0.000 0.422 98 Q N -1.393 118.406 119.800 -0.003 0.000 2.119 98 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 98 Q C 2.325 178.291 176.000 -0.058 0.000 0.972 98 Q CA 1.633 57.389 55.803 -0.078 0.000 0.847 98 Q CB -0.481 28.113 28.738 -0.239 0.000 0.903 98 Q HN 0.392 nan 8.270 nan 0.000 0.433 99 C N -0.057 119.251 119.300 0.013 0.000 2.440 99 C HA -0.028 4.433 4.460 0.001 0.000 0.278 99 C C 2.409 177.412 174.990 0.021 0.000 1.295 99 C CA 0.390 59.446 59.018 0.063 0.000 1.738 99 C CB -0.907 26.956 27.740 0.204 0.000 1.987 99 C HN 0.506 nan 8.230 nan 0.000 0.492 100 L N 1.127 122.355 121.223 0.009 0.000 2.083 100 L HA -0.114 4.227 4.340 0.001 0.000 0.209 100 L C 2.255 179.091 176.870 -0.057 0.000 1.083 100 L CA 1.722 56.534 54.840 -0.046 0.000 0.752 100 L CB -0.541 41.497 42.059 -0.035 0.000 0.899 100 L HN 0.510 nan 8.230 nan 0.000 0.433 101 I N -4.861 115.713 120.570 0.007 0.000 3.860 101 I HA 0.030 4.200 4.170 0.001 0.000 0.319 101 I C 1.447 177.649 176.117 0.142 0.000 1.279 101 I CA 0.468 61.815 61.300 0.078 0.000 1.220 101 I CB 0.071 38.105 38.000 0.057 0.000 1.027 101 I HN -0.033 nan 8.210 nan 0.000 0.428 102 T N -0.501 114.104 114.554 0.085 0.000 2.999 102 T HA 0.229 4.580 4.350 0.001 0.000 0.247 102 T C 0.693 175.471 174.700 0.129 0.000 1.012 102 T CA -0.220 61.943 62.100 0.105 0.000 1.048 102 T CB -0.211 68.669 68.868 0.020 0.000 1.020 102 T HN 0.188 nan 8.240 nan 0.000 0.478 103 N N 2.250 120.981 118.700 0.052 0.000 2.479 103 N HA 0.486 5.226 4.740 0.001 0.000 0.257 103 N C -0.002 175.516 175.510 0.013 0.000 1.232 103 N CA -0.064 52.999 53.050 0.022 0.000 0.920 103 N CB 0.431 38.906 38.487 -0.020 0.000 1.105 103 N HN 0.434 nan 8.380 nan 0.000 0.444 104 A N 0.688 123.541 122.820 0.055 0.000 2.313 104 A HA 0.369 4.689 4.320 0.001 0.000 0.261 104 A C 0.615 178.149 177.584 -0.084 0.000 1.090 104 A CA -0.333 51.754 52.037 0.084 0.000 0.807 104 A CB 0.232 19.297 19.000 0.109 0.000 1.055 104 A HN 0.552 nan 8.150 nan 0.000 0.492 105 S N -0.362 115.277 115.700 -0.102 0.000 2.616 105 S HA 0.381 4.851 4.470 0.001 0.000 0.277 105 S C 0.376 174.941 174.600 -0.059 0.000 1.234 105 S CA -0.292 57.803 58.200 -0.176 0.000 1.028 105 S CB 0.325 63.368 63.200 -0.261 0.000 0.988 105 S HN 0.813 nan 8.310 nan 0.000 0.522 106 N N 1.895 120.552 118.700 -0.072 0.000 2.282 106 N HA 0.203 4.944 4.740 0.001 0.000 0.240 106 N C -1.147 174.362 175.510 -0.002 0.000 1.182 106 N CA -0.438 52.601 53.050 -0.018 0.000 0.874 106 N CB 0.243 38.720 38.487 -0.017 0.000 1.126 106 N HN 0.331 nan 8.380 nan 0.000 0.516 107 K N 0.634 121.030 120.400 -0.007 0.000 2.323 107 K HA 0.611 4.932 4.320 0.001 0.000 0.259 107 K C -0.455 176.266 176.600 0.202 0.000 0.947 107 K CA -0.622 55.706 56.287 0.068 0.000 0.819 107 K CB 2.482 34.958 32.500 -0.040 0.000 1.109 107 K HN 0.175 nan 8.250 nan 0.000 0.429 108 A N 2.170 125.122 122.820 0.220 0.000 2.332 108 A HA 0.336 4.656 4.320 0.001 0.000 0.258 108 A C 0.227 177.974 177.584 0.271 0.000 1.087 108 A CA -0.246 51.918 52.037 0.213 0.000 0.802 108 A CB 0.322 19.399 19.000 0.128 0.000 1.042 108 A HN 0.677 nan 8.150 nan 0.000 0.489 109 S N -0.121 115.685 115.700 0.176 0.000 2.573 109 S HA 0.369 4.840 4.470 0.001 0.000 0.277 109 S C 1.039 175.586 174.600 -0.088 0.000 1.346 109 S CA 0.176 58.377 58.200 0.002 0.000 1.034 109 S CB 0.504 63.725 63.200 0.036 0.000 0.879 109 S HN 1.144 nan 8.310 nan 0.000 0.528 110 G N 2.458 111.106 108.800 -0.254 0.000 2.614 110 G HA2 0.315 4.276 3.960 0.001 0.000 0.239 110 G HA3 0.315 4.276 3.960 0.001 0.000 0.239 110 G C -2.468 172.382 174.900 -0.082 0.000 1.240 110 G CA -0.976 44.023 45.100 -0.169 0.000 0.842 110 G HN 0.459 nan 8.290 nan 0.000 0.584 111 P HA 0.116 nan 4.420 nan 0.000 0.269 111 P C 0.482 177.771 177.300 -0.019 0.000 1.215 111 P CA -0.059 63.028 63.100 -0.021 0.000 0.780 111 P CB 0.656 32.348 31.700 -0.014 0.000 0.898 112 I N -0.417 120.151 120.570 -0.002 0.000 2.754 112 I HA 0.176 4.346 4.170 0.001 0.000 0.285 112 I C 0.245 176.365 176.117 0.004 0.000 1.166 112 I CA -0.536 60.769 61.300 0.009 0.000 1.417 112 I CB -0.286 37.726 38.000 0.020 0.000 1.382 112 I HN 0.117 nan 8.210 nan 0.000 0.588 113 L N 5.329 126.561 121.223 0.015 0.000 2.371 113 L HA 0.390 4.730 4.340 0.001 0.000 0.272 113 L C 0.250 177.135 176.870 0.024 0.000 1.124 113 L CA -0.488 54.364 54.840 0.020 0.000 0.816 113 L CB 0.329 42.405 42.059 0.029 0.000 1.129 113 L HN 0.575 nan 8.230 nan 0.000 0.448 114 R N 2.732 123.249 120.500 0.029 0.000 2.332 114 R HA 0.374 4.714 4.340 0.001 0.000 0.306 114 R C -2.414 173.969 176.300 0.139 0.000 1.117 114 R CA -2.135 53.983 56.100 0.032 0.000 1.108 114 R CB 0.347 30.595 30.300 -0.086 0.000 1.126 114 R HN 0.305 nan 8.270 nan 0.000 0.548 115 P HA -0.040 nan 4.420 nan 0.000 0.266 115 P C -0.668 176.721 177.300 0.147 0.000 1.193 115 P CA 0.083 63.252 63.100 0.116 0.000 0.770 115 P CB 0.560 32.322 31.700 0.103 0.000 0.836 116 D N 0.800 121.213 120.400 0.021 0.000 2.424 116 D HA 0.061 4.702 4.640 0.001 0.000 0.244 116 D C 0.616 176.888 176.300 -0.046 0.000 1.134 116 D CA -0.071 53.840 54.000 -0.150 0.000 0.881 116 D CB 0.216 40.926 40.800 -0.150 0.000 1.191 116 D HN 0.218 nan 8.370 nan 0.000 0.445 117 R N 3.035 123.484 120.500 -0.085 0.000 2.502 117 R HA 0.048 4.389 4.340 0.001 0.000 0.292 117 R C -2.124 174.179 176.300 0.006 0.000 0.998 117 R CA -1.173 54.939 56.100 0.019 0.000 1.056 117 R CB 0.145 30.462 30.300 0.029 0.000 0.939 117 R HN 0.215 nan 8.270 nan 0.000 0.411 118 P HA -0.148 nan 4.420 nan 0.000 0.261 118 P C -0.061 177.242 177.300 0.006 0.000 1.158 118 P CA 0.485 63.610 63.100 0.041 0.000 0.758 118 P CB 0.519 32.268 31.700 0.082 0.000 0.763 119 Q N 1.950 121.742 119.800 -0.012 0.000 2.030 119 Q HA -0.153 4.188 4.340 0.001 0.000 0.204 119 Q C 0.140 176.127 176.000 -0.022 0.000 0.986 119 Q CA 1.626 57.413 55.803 -0.025 0.000 0.843 119 Q CB 0.095 28.816 28.738 -0.028 0.000 0.904 119 Q HN 0.500 nan 8.270 nan 0.000 0.420 120 K N -0.053 120.339 120.400 -0.013 0.000 2.340 120 K HA 0.413 4.733 4.320 0.001 0.000 0.244 120 K C -2.676 173.913 176.600 -0.018 0.000 0.973 120 K CA -2.299 53.981 56.287 -0.011 0.000 0.828 120 K CB 1.588 34.093 32.500 0.008 0.000 1.226 120 K HN -0.197 nan 8.250 nan 0.000 0.437 121 P HA -0.055 nan 4.420 nan 0.000 0.264 121 P C -0.634 176.628 177.300 -0.064 0.000 1.183 121 P CA 0.593 63.564 63.100 -0.215 0.000 0.763 121 P CB -0.010 31.495 31.700 -0.324 0.000 0.807 122 F N -0.394 119.591 119.950 0.058 0.000 2.656 122 F HA -0.259 4.269 4.527 0.001 0.000 0.381 122 F C 1.285 176.979 175.800 -0.176 0.000 0.603 122 F CA 0.664 58.598 58.000 -0.110 0.000 1.335 122 F CB -2.079 36.837 39.000 -0.140 0.000 1.836 122 F HN 0.268 nan 8.300 nan 0.000 0.290 123 D N 0.661 121.074 120.400 0.022 0.000 2.084 123 D HA -0.044 4.596 4.640 0.001 0.000 0.194 123 D C 1.038 177.300 176.300 -0.063 0.000 0.990 123 D CA 1.636 55.623 54.000 -0.022 0.000 0.826 123 D CB 0.065 40.862 40.800 -0.006 0.000 0.971 123 D HN 0.350 nan 8.370 nan 0.000 0.453 124 K N -0.424 119.963 120.400 -0.022 0.000 2.482 124 K HA 0.253 4.574 4.320 0.001 0.000 0.251 124 K C -1.403 175.300 176.600 0.172 0.000 0.936 124 K CA -0.606 55.651 56.287 -0.049 0.000 0.791 124 K CB 1.631 34.068 32.500 -0.105 0.000 1.213 124 K HN -0.253 nan 8.250 nan 0.000 0.428 125 F N 2.927 122.817 119.950 -0.102 0.000 2.422 125 F HA 0.477 5.004 4.527 0.001 0.000 0.333 125 F C -0.162 175.522 175.800 -0.192 0.000 1.095 125 F CA -1.109 56.877 58.000 -0.022 0.000 1.038 125 F CB 0.782 39.802 39.000 0.034 0.000 1.156 125 F HN 0.335 nan 8.300 nan 0.000 0.483 126 F N 3.947 124.025 119.950 0.213 0.000 2.458 126 F HA 0.583 5.111 4.527 0.001 0.000 0.336 126 F C 0.266 176.085 175.800 0.032 0.000 1.114 126 F CA -0.862 57.206 58.000 0.115 0.000 0.987 126 F CB 1.433 40.466 39.000 0.054 0.000 1.130 126 F HN 0.259 nan 8.300 nan 0.000 0.458 127 I N -0.211 120.418 120.570 0.099 0.000 2.689 127 I HA 0.874 5.044 4.170 0.001 0.000 0.299 127 I C -1.657 174.385 176.117 -0.126 0.000 1.059 127 I CA -0.599 60.650 61.300 -0.086 0.000 1.055 127 I CB 2.396 40.244 38.000 -0.254 0.000 1.243 127 I HN 0.471 nan 8.210 nan 0.000 0.425 128 D N 2.304 122.678 120.400 -0.043 0.000 2.653 128 D HA 0.433 5.074 4.640 0.001 0.000 0.258 128 D C -2.076 174.256 176.300 0.053 0.000 1.252 128 D CA -0.331 53.744 54.000 0.125 0.000 0.777 128 D CB 1.776 42.659 40.800 0.138 0.000 1.339 128 D HN 0.560 nan 8.370 nan 0.000 0.422 129 Y N 0.929 121.386 120.300 0.262 0.000 2.331 129 Y HA 0.501 5.052 4.550 0.001 0.000 0.338 129 Y C 0.200 176.191 175.900 0.151 0.000 0.992 129 Y CA -0.816 57.397 58.100 0.189 0.000 1.121 129 Y CB 1.424 39.959 38.460 0.124 0.000 1.184 129 Y HN 0.211 nan 8.280 nan 0.000 0.469 130 I N 4.129 124.866 120.570 0.279 0.000 2.396 130 I HA 0.499 4.670 4.170 0.001 0.000 0.289 130 I C 0.608 176.798 176.117 0.121 0.000 1.056 130 I CA 0.471 61.847 61.300 0.125 0.000 1.365 130 I CB 0.200 38.198 38.000 -0.004 0.000 1.407 130 I HN 0.860 nan 8.210 nan 0.000 0.509 131 G N 7.555 116.389 108.800 0.055 0.000 2.368 131 G HA2 0.111 4.072 3.960 0.001 0.000 0.302 131 G HA3 0.111 4.072 3.960 0.001 0.000 0.302 131 G C -3.163 171.673 174.900 -0.107 0.000 1.329 131 G CA -0.931 44.068 45.100 -0.168 0.000 0.935 131 G HN 0.401 nan 8.290 nan 0.000 0.590 132 P HA 0.593 nan 4.420 nan 0.000 0.274 132 P C -0.285 176.784 177.300 -0.385 0.000 1.231 132 P CA -0.246 62.417 63.100 -0.728 0.000 0.790 132 P CB 1.221 32.642 31.700 -0.464 0.000 0.951 133 L N 2.081 123.092 121.223 -0.353 0.000 2.298 133 L HA 0.514 4.855 4.340 0.001 0.000 0.268 133 L C -2.253 174.632 176.870 0.025 0.000 1.010 133 L CA -2.637 52.072 54.840 -0.219 0.000 0.812 133 L CB 1.486 43.220 42.059 -0.541 0.000 1.331 133 L HN 0.194 nan 8.230 nan 0.000 0.450 134 P HA 0.177 nan 4.420 nan 0.000 0.276 134 P C -2.498 175.021 177.300 0.365 0.000 1.243 134 P CA -1.131 62.085 63.100 0.193 0.000 0.768 134 P CB -0.090 31.708 31.700 0.164 0.000 0.856 135 P HA -0.058 nan 4.420 nan 0.000 0.263 135 P C -0.185 177.152 177.300 0.061 0.000 1.168 135 P CA 0.848 64.049 63.100 0.168 0.000 0.759 135 P CB 0.319 32.065 31.700 0.075 0.000 0.782 136 S N 2.453 118.079 115.700 -0.124 0.000 2.619 136 S HA 0.172 4.642 4.470 0.001 0.000 0.280 136 S C -0.312 174.065 174.600 -0.371 0.000 1.150 136 S CA -0.466 57.485 58.200 -0.415 0.000 0.978 136 S CB 0.436 62.994 63.200 -1.070 0.000 1.041 136 S HN 0.447 nan 8.310 nan 0.000 0.485 137 Q N 2.312 121.917 119.800 -0.325 0.000 2.407 137 Q HA -0.257 4.084 4.340 0.001 0.000 0.277 137 Q C 1.026 176.972 176.000 -0.090 0.000 1.161 137 Q CA 1.467 57.064 55.803 -0.343 0.000 0.924 137 Q CB -2.267 25.991 28.738 -0.800 0.000 1.318 137 Q HN 1.817 nan 8.270 nan 0.000 0.513 138 G N -1.768 107.035 108.800 0.005 0.000 2.179 138 G HA2 -0.360 3.600 3.960 0.001 0.000 0.260 138 G HA3 -0.360 3.600 3.960 0.001 0.000 0.260 138 G C -0.067 174.934 174.900 0.169 0.000 0.977 138 G CA 0.469 45.622 45.100 0.088 0.000 0.641 138 G HN 0.461 nan 8.290 nan 0.000 0.533 139 Y N -0.934 119.331 120.300 -0.059 0.000 2.335 139 Y HA 0.658 5.208 4.550 0.001 0.000 0.323 139 Y C 1.553 177.650 175.900 0.328 0.000 1.224 139 Y CA -0.693 57.485 58.100 0.131 0.000 1.241 139 Y CB 1.229 39.788 38.460 0.165 0.000 1.235 139 Y HN -0.026 nan 8.280 nan 0.000 0.492 140 L N 1.229 122.761 121.223 0.515 0.000 3.076 140 L HA 0.251 4.592 4.340 0.001 0.000 0.271 140 L C -1.104 175.745 176.870 -0.035 0.000 1.152 140 L CA -0.031 54.977 54.840 0.279 0.000 0.996 140 L CB 0.636 42.707 42.059 0.021 0.000 1.453 140 L HN 0.583 nan 8.230 nan 0.000 0.571 141 Y N -0.931 119.555 120.300 0.309 0.000 2.576 141 Y HA 0.597 5.147 4.550 0.000 0.000 0.346 141 Y C -0.358 175.706 175.900 0.274 0.000 1.018 141 Y CA -1.045 57.145 58.100 0.150 0.000 1.050 141 Y CB 2.235 40.697 38.460 0.003 0.000 1.280 141 Y HN -0.459 nan 8.280 nan 0.000 0.474 142 V N 2.943 123.085 119.914 0.379 0.000 2.487 142 V HA 0.342 4.462 4.120 0.001 0.000 0.298 142 V C -1.012 175.346 176.094 0.440 0.000 1.028 142 V CA -0.786 61.728 62.300 0.357 0.000 0.860 142 V CB 1.828 33.720 31.823 0.114 0.000 0.991 142 V HN 0.527 nan 8.190 nan 0.000 0.427 143 L N 6.533 127.987 121.223 0.384 0.000 2.265 143 L HA 0.576 4.916 4.340 0.001 0.000 0.288 143 L C -0.385 176.541 176.870 0.094 0.000 1.058 143 L CA 0.367 55.219 54.840 0.019 0.000 0.809 143 L CB 1.288 43.370 42.059 0.037 0.000 1.179 143 L HN 0.476 nan 8.230 nan 0.000 0.429 144 V N 6.335 126.255 119.914 0.010 0.000 2.357 144 V HA 0.409 4.530 4.120 0.001 0.000 0.284 144 V C -0.307 175.815 176.094 0.047 0.000 1.018 144 V CA -0.656 61.667 62.300 0.039 0.000 0.841 144 V CB 1.507 33.342 31.823 0.020 0.000 0.991 144 V HN 0.498 nan 8.190 nan 0.000 0.437 145 V N 6.102 126.078 119.914 0.103 0.000 2.357 145 V HA 0.458 4.578 4.120 0.001 0.000 0.284 145 V C -0.136 176.014 176.094 0.093 0.000 1.018 145 V CA -0.524 61.811 62.300 0.059 0.000 0.841 145 V CB 1.769 33.597 31.823 0.008 0.000 0.991 145 V HN 0.611 nan 8.190 nan 0.000 0.437 146 V N 3.614 123.569 119.914 0.068 0.000 2.417 146 V HA 0.343 4.463 4.120 0.001 0.000 0.291 146 V C -0.168 176.025 176.094 0.165 0.000 1.024 146 V CA -0.710 61.657 62.300 0.112 0.000 0.861 146 V CB 1.899 33.779 31.823 0.095 0.000 0.985 146 V HN 0.965 nan 8.190 nan 0.000 0.436 147 D N 3.715 124.237 120.400 0.204 0.000 2.343 147 D HA 0.345 4.986 4.640 0.001 0.000 0.255 147 D C 1.370 177.830 176.300 0.268 0.000 1.187 147 D CA 0.541 54.721 54.000 0.299 0.000 0.875 147 D CB 1.773 42.734 40.800 0.267 0.000 1.136 147 D HN 0.573 nan 8.370 nan 0.000 0.469 148 G N 3.892 112.906 108.800 0.357 0.000 2.440 148 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 148 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 148 G C 1.303 176.305 174.900 0.169 0.000 1.154 148 G CA 0.532 45.836 45.100 0.339 0.000 0.767 148 G HN 0.540 nan 8.290 nan 0.000 0.552 149 M N 1.660 121.325 119.600 0.109 0.000 2.064 149 M HA -0.085 4.395 4.480 0.001 0.000 0.260 149 M C 2.746 179.065 176.300 0.031 0.000 1.073 149 M CA 2.549 57.875 55.300 0.044 0.000 1.124 149 M CB -1.132 31.463 32.600 -0.009 0.000 1.326 149 M HN 0.387 nan 8.290 nan 0.000 0.410 150 T N -3.120 111.446 114.554 0.021 0.000 2.976 150 T HA 0.259 4.610 4.350 0.001 0.000 0.257 150 T C 1.615 176.351 174.700 0.061 0.000 1.051 150 T CA 1.368 63.483 62.100 0.025 0.000 1.141 150 T CB -0.286 68.583 68.868 0.002 0.000 0.881 150 T HN 0.646 nan 8.240 nan 0.000 0.461 151 G N 0.756 109.600 108.800 0.074 0.000 2.195 151 G HA2 -0.226 3.735 3.960 0.001 0.000 0.246 151 G HA3 -0.226 3.735 3.960 0.001 0.000 0.246 151 G C -0.011 174.901 174.900 0.020 0.000 0.984 151 G CA -0.120 45.005 45.100 0.043 0.000 0.633 151 G HN 0.612 nan 8.290 nan 0.000 0.525 152 F N 2.639 122.524 119.950 -0.109 0.000 2.635 152 F HA 0.413 4.940 4.527 0.001 0.000 0.379 152 F C 0.812 176.459 175.800 -0.254 0.000 1.094 152 F CA 1.820 59.673 58.000 -0.244 0.000 1.300 152 F CB 0.713 39.503 39.000 -0.349 0.000 1.035 152 F HN 0.050 nan 8.300 nan 0.000 0.581 153 T N 5.814 119.984 114.554 -0.640 0.000 2.881 153 T HA 0.260 4.611 4.350 0.001 0.000 0.290 153 T C -1.155 173.271 174.700 -0.457 0.000 1.000 153 T CA -0.544 61.363 62.100 -0.322 0.000 0.978 153 T CB 0.972 69.686 68.868 -0.258 0.000 0.997 153 T HN 0.449 nan 8.240 nan 0.000 0.443 154 W N 3.372 124.592 121.300 -0.133 0.000 2.573 154 W HA 0.596 5.256 4.660 0.001 0.000 0.326 154 W C -1.036 175.283 176.519 -0.333 0.000 1.049 154 W CA -0.895 56.329 57.345 -0.202 0.000 1.220 154 W CB 1.445 30.880 29.460 -0.041 0.000 1.373 154 W HN 0.325 nan 8.180 nan 0.000 0.507 155 L N 3.999 125.032 121.223 -0.318 0.000 2.325 155 L HA 0.398 4.738 4.340 0.001 0.000 0.281 155 L C -1.256 175.343 176.870 -0.452 0.000 1.004 155 L CA -0.960 53.723 54.840 -0.262 0.000 0.823 155 L CB 0.979 42.948 42.059 -0.149 0.000 1.236 155 L HN 0.254 nan 8.230 nan 0.000 0.415 156 Y N 3.776 124.182 120.300 0.176 0.000 2.328 156 Y HA 0.409 4.960 4.550 0.001 0.000 0.336 156 Y C -2.192 173.889 175.900 0.302 0.000 0.960 156 Y CA -2.862 55.366 58.100 0.212 0.000 1.134 156 Y CB 1.489 40.069 38.460 0.199 0.000 1.166 156 Y HN 0.360 nan 8.280 nan 0.000 0.464 157 P HA 0.151 nan 4.420 nan 0.000 0.281 157 P C -0.293 177.459 177.300 0.753 0.000 1.252 157 P CA -0.116 63.379 63.100 0.658 0.000 0.778 157 P CB 1.483 33.502 31.700 0.532 0.000 0.895 158 T N -0.609 114.333 114.554 0.646 0.000 2.901 158 T HA 0.412 4.763 4.350 0.001 0.000 0.293 158 T C 0.659 175.444 174.700 0.140 0.000 1.084 158 T CA -0.822 61.471 62.100 0.322 0.000 1.008 158 T CB 1.800 70.815 68.868 0.244 0.000 1.170 158 T HN 0.175 nan 8.240 nan 0.000 0.509 159 K N 0.317 120.631 120.400 -0.144 0.000 2.393 159 K HA 0.576 4.897 4.320 0.001 0.000 0.193 159 K C 0.448 177.066 176.600 0.029 0.000 1.026 159 K CA 0.138 56.349 56.287 -0.126 0.000 1.064 159 K CB 0.546 32.874 32.500 -0.286 0.000 0.833 159 K HN 0.784 nan 8.250 nan 0.000 0.521 160 A N 1.523 124.282 122.820 -0.102 0.000 2.599 160 A HA 0.336 4.657 4.320 0.001 0.000 0.294 160 A C -2.876 174.230 177.584 -0.798 0.000 1.055 160 A CA -1.153 50.644 52.037 -0.400 0.000 0.683 160 A CB 1.093 19.935 19.000 -0.263 0.000 1.278 160 A HN -0.145 nan 8.150 nan 0.000 0.412 161 P HA 0.242 nan 4.420 nan 0.000 0.219 161 P C -0.296 176.510 177.300 -0.823 0.000 1.832 161 P CA 0.183 62.380 63.100 -1.505 0.000 1.014 161 P CB -0.075 30.747 31.700 -1.464 0.000 1.939 162 S N -0.498 114.878 115.700 -0.540 0.000 2.568 162 S HA 0.405 4.875 4.470 0.001 0.000 0.302 162 S C 1.244 175.711 174.600 -0.222 0.000 1.082 162 S CA -0.369 57.635 58.200 -0.326 0.000 1.009 162 S CB 0.913 63.967 63.200 -0.242 0.000 1.069 162 S HN 0.058 nan 8.310 nan 0.000 0.500 163 T N 2.068 116.509 114.554 -0.188 0.000 2.635 163 T HA -0.210 4.140 4.350 0.001 0.000 0.267 163 T C 2.094 176.747 174.700 -0.079 0.000 1.040 163 T CA 2.165 64.193 62.100 -0.121 0.000 1.156 163 T CB -0.936 67.918 68.868 -0.025 0.000 0.863 163 T HN 0.806 nan 8.240 nan 0.000 0.430 164 S N 1.473 117.132 115.700 -0.068 0.000 2.412 164 S HA -0.316 4.154 4.470 0.001 0.000 0.246 164 S C 2.283 176.850 174.600 -0.056 0.000 1.073 164 S CA 2.254 60.422 58.200 -0.053 0.000 1.186 164 S CB -0.815 62.350 63.200 -0.059 0.000 1.084 164 S HN 0.617 nan 8.310 nan 0.000 0.434 165 A N -0.086 122.699 122.820 -0.059 0.000 1.968 165 A HA 0.045 4.366 4.320 0.001 0.000 0.217 165 A C 2.381 179.976 177.584 0.017 0.000 1.169 165 A CA 1.951 53.981 52.037 -0.011 0.000 0.638 165 A CB -1.276 17.719 19.000 -0.009 0.000 0.812 165 A HN 0.688 nan 8.150 nan 0.000 0.446 166 T N -0.205 114.356 114.554 0.011 0.000 2.737 166 T HA -0.115 4.235 4.350 0.001 0.000 0.265 166 T C 1.878 176.471 174.700 -0.178 0.000 1.038 166 T CA 1.547 63.636 62.100 -0.019 0.000 1.144 166 T CB -0.541 68.284 68.868 -0.072 0.000 0.866 166 T HN 0.137 nan 8.240 nan 0.000 0.434 167 V N 1.539 121.312 119.914 -0.235 0.000 2.255 167 V HA -0.217 3.903 4.120 0.001 0.000 0.247 167 V C 2.545 178.477 176.094 -0.269 0.000 1.051 167 V CA 1.722 63.746 62.300 -0.459 0.000 1.018 167 V CB -0.592 31.035 31.823 -0.327 0.000 0.641 167 V HN 0.402 nan 8.190 nan 0.000 0.445 168 K N 0.114 120.436 120.400 -0.130 0.000 2.089 168 K HA -0.211 4.109 4.320 0.001 0.000 0.210 168 K C 2.354 178.887 176.600 -0.111 0.000 1.048 168 K CA 2.078 58.326 56.287 -0.066 0.000 0.926 168 K CB -0.308 32.182 32.500 -0.016 0.000 0.714 168 K HN 0.467 nan 8.250 nan 0.000 0.448 169 S N 0.752 116.342 115.700 -0.184 0.000 2.362 169 S HA -0.016 4.455 4.470 0.001 0.000 0.221 169 S C 1.847 176.139 174.600 -0.513 0.000 1.032 169 S CA 0.811 58.751 58.200 -0.433 0.000 0.973 169 S CB -0.118 62.825 63.200 -0.428 0.000 0.849 169 S HN 0.182 nan 8.310 nan 0.000 0.465 170 L N 1.823 122.859 121.223 -0.312 0.000 2.201 170 L HA -0.059 4.282 4.340 0.001 0.000 0.212 170 L C 1.988 178.896 176.870 0.064 0.000 1.105 170 L CA 0.570 55.323 54.840 -0.146 0.000 0.775 170 L CB -0.634 41.327 42.059 -0.162 0.000 0.913 170 L HN 0.240 nan 8.230 nan 0.000 0.440 171 N N -0.114 118.627 118.700 0.069 0.000 2.104 171 N HA -0.152 4.588 4.740 0.001 0.000 0.190 171 N C 1.875 177.433 175.510 0.079 0.000 1.024 171 N CA 1.230 54.386 53.050 0.178 0.000 0.853 171 N CB -0.454 38.130 38.487 0.163 0.000 1.008 171 N HN 0.099 nan 8.380 nan 0.000 0.424 172 V N 1.099 121.009 119.914 -0.008 0.000 2.343 172 V HA -0.158 3.962 4.120 0.001 0.000 0.247 172 V C 2.304 178.419 176.094 0.036 0.000 1.051 172 V CA 1.033 63.344 62.300 0.018 0.000 1.036 172 V CB -0.563 31.262 31.823 0.004 0.000 0.654 172 V HN 0.208 nan 8.190 nan 0.000 0.451 173 L N 1.219 122.419 121.223 -0.039 0.000 2.056 173 L HA -0.130 4.211 4.340 0.001 0.000 0.207 173 L C 2.651 179.510 176.870 -0.018 0.000 1.078 173 L CA 2.785 57.585 54.840 -0.066 0.000 0.749 173 L CB -1.083 40.881 42.059 -0.158 0.000 0.901 173 L HN 0.590 nan 8.230 nan 0.000 0.433 174 T N -4.462 110.126 114.554 0.056 0.000 3.035 174 T HA -0.059 4.291 4.350 0.001 0.000 0.268 174 T C 1.911 176.606 174.700 -0.008 0.000 1.109 174 T CA 0.971 63.094 62.100 0.037 0.000 1.119 174 T CB -0.639 68.276 68.868 0.078 0.000 0.900 174 T HN 0.346 nan 8.240 nan 0.000 0.503 175 S N 2.166 117.881 115.700 0.024 0.000 2.389 175 S HA -0.133 4.338 4.470 0.001 0.000 0.231 175 S C 1.897 176.500 174.600 0.006 0.000 1.052 175 S CA 1.665 59.879 58.200 0.022 0.000 1.053 175 S CB -0.507 62.728 63.200 0.057 0.000 0.886 175 S HN 0.525 nan 8.310 nan 0.000 0.456 176 I N 1.005 121.586 120.570 0.018 0.000 2.130 176 I HA 0.114 4.285 4.170 0.001 0.000 0.234 176 I C 1.204 177.244 176.117 -0.129 0.000 1.067 176 I CA 1.139 62.448 61.300 0.016 0.000 1.339 176 I CB -1.604 36.473 38.000 0.129 0.000 1.073 176 I HN 0.334 nan 8.210 nan 0.000 0.405 177 A N 0.378 123.052 122.820 -0.243 0.000 2.602 177 A HA 0.717 5.037 4.320 0.001 0.000 0.290 177 A C -1.023 176.322 177.584 -0.399 0.000 1.114 177 A CA -0.482 51.243 52.037 -0.520 0.000 0.683 177 A CB 1.959 20.167 19.000 -1.319 0.000 1.281 177 A HN 0.098 nan 8.150 nan 0.000 0.416 178 I N 2.043 122.358 120.570 -0.426 0.000 2.433 178 I HA 0.398 4.569 4.170 0.001 0.000 0.292 178 I C -2.297 173.620 176.117 -0.334 0.000 1.001 178 I CA -1.792 59.326 61.300 -0.303 0.000 1.119 178 I CB 1.905 39.755 38.000 -0.250 0.000 1.289 178 I HN 0.478 nan 8.210 nan 0.000 0.438 179 P HA 0.319 nan 4.420 nan 0.000 0.282 179 P C 0.108 177.231 177.300 -0.295 0.000 1.249 179 P CA -0.517 62.297 63.100 -0.476 0.000 0.806 179 P CB 1.663 32.736 31.700 -1.045 0.000 0.984 180 K N 0.417 120.692 120.400 -0.207 0.000 2.002 180 K HA 0.021 4.342 4.320 0.001 0.000 0.209 180 K C 0.452 176.969 176.600 -0.138 0.000 1.048 180 K CA 1.274 57.473 56.287 -0.146 0.000 0.930 180 K CB -0.127 32.314 32.500 -0.099 0.000 0.714 180 K HN 0.318 nan 8.250 nan 0.000 0.438 181 V N 1.340 121.161 119.914 -0.155 0.000 2.735 181 V HA 0.386 4.506 4.120 0.001 0.000 0.310 181 V C -0.594 175.395 176.094 -0.175 0.000 1.061 181 V CA -0.847 61.374 62.300 -0.132 0.000 0.913 181 V CB 2.122 33.898 31.823 -0.078 0.000 1.005 181 V HN 0.084 nan 8.190 nan 0.000 0.428 182 I N 2.899 123.372 120.570 -0.162 0.000 2.410 182 I HA 0.430 4.601 4.170 0.001 0.000 0.286 182 I C -0.609 175.394 176.117 -0.190 0.000 1.009 182 I CA -0.402 60.848 61.300 -0.084 0.000 1.111 182 I CB 1.526 39.563 38.000 0.062 0.000 1.262 182 I HN 0.753 nan 8.210 nan 0.000 0.443 183 H N 5.201 124.069 119.070 -0.337 0.000 2.467 183 H HA 0.681 5.237 4.556 0.001 0.000 0.331 183 H C -0.385 174.848 175.328 -0.158 0.000 1.120 183 H CA -0.063 55.786 56.048 -0.332 0.000 1.270 183 H CB 1.267 30.672 29.762 -0.595 0.000 1.466 183 H HN 0.642 nan 8.280 nan 0.000 0.504 184 S N 2.851 118.434 115.700 -0.195 0.000 2.615 184 S HA 0.281 4.752 4.470 0.001 0.000 0.269 184 S C -1.369 173.314 174.600 0.137 0.000 1.161 184 S CA -0.904 57.275 58.200 -0.035 0.000 0.817 184 S CB 1.100 64.037 63.200 -0.438 0.000 1.131 184 S HN 0.789 nan 8.310 nan 0.000 0.467 185 D N 0.449 120.983 120.400 0.223 0.000 2.383 185 D HA 0.260 4.900 4.640 0.001 0.000 0.248 185 D C 0.206 176.634 176.300 0.213 0.000 1.170 185 D CA -0.612 53.525 54.000 0.228 0.000 0.977 185 D CB 0.105 41.031 40.800 0.209 0.000 1.120 185 D HN 0.617 nan 8.370 nan 0.000 0.481 186 Q N -0.098 119.723 119.800 0.036 0.000 2.259 186 Q HA 0.173 4.513 4.340 0.001 0.000 0.228 186 Q C 0.402 176.345 176.000 -0.096 0.000 0.909 186 Q CA -0.349 55.371 55.803 -0.138 0.000 0.948 186 Q CB -0.002 28.605 28.738 -0.219 0.000 1.041 186 Q HN 0.572 nan 8.270 nan 0.000 0.445 187 G N 0.215 109.040 108.800 0.041 0.000 2.313 187 G HA2 0.181 4.142 3.960 0.001 0.000 0.250 187 G HA3 0.181 4.142 3.960 0.001 0.000 0.250 187 G C 1.064 175.842 174.900 -0.203 0.000 1.281 187 G CA 0.229 45.287 45.100 -0.070 0.000 0.917 187 G HN 0.361 nan 8.290 nan 0.000 0.501 188 A N 3.692 126.388 122.820 -0.207 0.000 1.900 188 A HA -0.197 4.123 4.320 0.001 0.000 0.225 188 A C 2.856 180.289 177.584 -0.251 0.000 1.414 188 A CA 3.325 55.240 52.037 -0.202 0.000 0.702 188 A CB -1.138 17.755 19.000 -0.178 0.000 0.845 188 A HN 1.742 nan 8.150 nan 0.000 0.478 189 A N -2.214 120.364 122.820 -0.402 0.000 2.093 189 A HA -0.039 4.282 4.320 0.001 0.000 0.222 189 A C 1.778 179.080 177.584 -0.469 0.000 1.162 189 A CA 2.009 53.762 52.037 -0.474 0.000 0.655 189 A CB -0.695 17.925 19.000 -0.633 0.000 0.805 189 A HN 0.583 nan 8.150 nan 0.000 0.461 190 F N -0.464 119.358 119.950 -0.214 0.000 2.582 190 F HA 0.089 4.617 4.527 0.001 0.000 0.290 190 F C 2.059 177.893 175.800 0.057 0.000 1.115 190 F CA 1.118 58.997 58.000 -0.201 0.000 1.445 190 F CB -0.628 38.345 39.000 -0.046 0.000 1.126 190 F HN 0.206 nan 8.300 nan 0.000 0.574 191 T N -1.998 112.552 114.554 -0.006 0.000 3.264 191 T HA 0.247 4.598 4.350 0.001 0.000 0.257 191 T C 0.553 175.252 174.700 -0.002 0.000 0.976 191 T CA -0.109 61.889 62.100 -0.170 0.000 0.908 191 T CB -0.755 67.865 68.868 -0.413 0.000 1.082 191 T HN 0.091 nan 8.240 nan 0.000 0.567 192 S N 0.812 116.579 115.700 0.113 0.000 2.669 192 S HA 0.425 4.895 4.470 0.001 0.000 0.270 192 S C 1.619 176.322 174.600 0.170 0.000 1.225 192 S CA -0.020 58.242 58.200 0.103 0.000 0.991 192 S CB 1.559 64.815 63.200 0.092 0.000 0.987 192 S HN 0.416 nan 8.310 nan 0.000 0.552 193 S N 0.752 116.524 115.700 0.120 0.000 2.377 193 S HA -0.087 4.383 4.470 0.001 0.000 0.223 193 S C 1.779 176.468 174.600 0.149 0.000 1.030 193 S CA 1.155 59.427 58.200 0.120 0.000 0.970 193 S CB -1.812 61.433 63.200 0.075 0.000 0.830 193 S HN 0.858 nan 8.310 nan 0.000 0.473 194 T N 1.362 116.004 114.554 0.146 0.000 2.721 194 T HA -0.107 4.243 4.350 0.001 0.000 0.268 194 T C 1.312 176.172 174.700 0.267 0.000 1.038 194 T CA 1.627 63.828 62.100 0.168 0.000 1.145 194 T CB -0.627 68.320 68.868 0.133 0.000 0.858 194 T HN 0.441 nan 8.240 nan 0.000 0.459 195 F N 1.895 121.931 119.950 0.144 0.000 2.219 195 F HA 0.359 4.886 4.527 0.000 0.000 0.294 195 F C 2.498 178.463 175.800 0.274 0.000 1.086 195 F CA 0.262 58.389 58.000 0.212 0.000 1.330 195 F CB -0.742 38.376 39.000 0.197 0.000 1.047 195 F HN 0.148 nan 8.300 nan 0.000 0.495 196 A N 0.235 123.187 122.820 0.219 0.000 1.908 196 A HA -0.172 4.148 4.320 0.001 0.000 0.218 196 A C 2.203 179.801 177.584 0.023 0.000 1.181 196 A CA 1.749 53.841 52.037 0.091 0.000 0.627 196 A CB -0.723 18.364 19.000 0.145 0.000 0.818 196 A HN 0.396 nan 8.150 nan 0.000 0.445 197 E N -1.061 119.183 120.200 0.074 0.000 2.013 197 E HA -0.263 4.087 4.350 0.001 0.000 0.202 197 E C 1.748 178.365 176.600 0.027 0.000 1.018 197 E CA 1.588 58.018 56.400 0.051 0.000 0.834 197 E CB -0.671 29.083 29.700 0.091 0.000 0.770 197 E HN 0.854 nan 8.360 nan 0.000 0.459 198 W N 1.582 122.820 121.300 -0.104 0.000 2.304 198 W HA -0.315 4.346 4.660 0.001 0.000 0.315 198 W C 2.426 178.809 176.519 -0.225 0.000 1.233 198 W CA 2.998 60.259 57.345 -0.139 0.000 1.261 198 W CB -0.430 28.963 29.460 -0.111 0.000 1.150 198 W HN 0.127 nan 8.180 nan 0.000 0.494 199 A N 0.075 122.779 122.820 -0.193 0.000 1.902 199 A HA -0.230 4.090 4.320 0.001 0.000 0.217 199 A C 2.027 179.395 177.584 -0.359 0.000 1.181 199 A CA 2.038 53.841 52.037 -0.389 0.000 0.623 199 A CB -1.000 17.811 19.000 -0.316 0.000 0.818 199 A HN 0.409 nan 8.150 nan 0.000 0.443 200 K N -0.090 120.173 120.400 -0.228 0.000 2.057 200 K HA -0.182 4.139 4.320 0.001 0.000 0.207 200 K C 1.828 178.303 176.600 -0.207 0.000 1.049 200 K CA 1.661 57.846 56.287 -0.171 0.000 0.931 200 K CB -0.199 32.243 32.500 -0.096 0.000 0.714 200 K HN 0.617 nan 8.250 nan 0.000 0.440 201 E N -0.257 119.795 120.200 -0.247 0.000 2.267 201 E HA -0.185 4.165 4.350 0.001 0.000 0.197 201 E C 1.577 177.993 176.600 -0.307 0.000 0.998 201 E CA 0.973 57.224 56.400 -0.249 0.000 0.830 201 E CB 0.098 29.646 29.700 -0.253 0.000 0.751 201 E HN 0.253 nan 8.360 nan 0.000 0.491 202 R N -0.914 119.331 120.500 -0.423 0.000 2.437 202 R HA 0.145 4.486 4.340 0.001 0.000 0.257 202 R C 0.578 176.690 176.300 -0.313 0.000 0.927 202 R CA 0.402 56.254 56.100 -0.414 0.000 1.078 202 R CB 1.215 31.139 30.300 -0.627 0.000 1.161 202 R HN 0.124 nan 8.270 nan 0.000 0.529 203 G N 2.105 110.745 108.800 -0.267 0.000 2.298 203 G HA2 -0.258 3.702 3.960 0.001 0.000 0.287 203 G HA3 -0.258 3.702 3.960 0.001 0.000 0.287 203 G C -0.176 174.607 174.900 -0.193 0.000 1.075 203 G CA -0.021 44.962 45.100 -0.195 0.000 0.960 203 G HN 0.231 nan 8.290 nan 0.000 0.502 204 I N 0.342 120.777 120.570 -0.225 0.000 2.404 204 I HA 0.321 4.492 4.170 0.001 0.000 0.293 204 I C 0.770 176.812 176.117 -0.125 0.000 0.992 204 I CA -1.091 60.095 61.300 -0.190 0.000 1.149 204 I CB 1.540 39.398 38.000 -0.237 0.000 1.315 204 I HN 0.286 nan 8.210 nan 0.000 0.446 205 H N 6.883 125.843 119.070 -0.183 0.000 2.767 205 H HA 0.326 4.883 4.556 0.001 0.000 0.316 205 H C -1.004 174.194 175.328 -0.216 0.000 1.059 205 H CA -0.485 55.458 56.048 -0.177 0.000 1.461 205 H CB 0.948 30.620 29.762 -0.151 0.000 1.475 205 H HN 0.477 nan 8.280 nan 0.000 0.531 206 L N 5.231 126.038 121.223 -0.694 0.000 2.290 206 L HA 0.195 4.536 4.340 0.001 0.000 0.284 206 L C 0.311 176.448 176.870 -1.222 0.000 1.078 206 L CA -0.046 54.303 54.840 -0.818 0.000 0.815 206 L CB 1.129 42.796 42.059 -0.652 0.000 1.162 206 L HN 0.671 nan 8.230 nan 0.000 0.435 207 E N 3.664 123.265 120.200 -0.998 0.000 2.199 207 E HA 0.469 4.820 4.350 0.001 0.000 0.265 207 E C -1.710 174.363 176.600 -0.877 0.000 0.882 207 E CA -0.636 55.309 56.400 -0.759 0.000 0.759 207 E CB 1.390 30.888 29.700 -0.337 0.000 1.148 207 E HN 0.264 nan 8.360 nan 0.000 0.412 208 F N 1.908 121.665 119.950 -0.322 0.000 2.482 208 F HA 0.319 4.846 4.527 0.001 0.000 0.331 208 F C 0.370 176.004 175.800 -0.276 0.000 1.115 208 F CA -0.821 56.977 58.000 -0.336 0.000 0.955 208 F CB 2.006 40.926 39.000 -0.132 0.000 1.136 208 F HN 0.312 nan 8.300 nan 0.000 0.452 209 S N 0.650 116.308 115.700 -0.070 0.000 2.558 209 S HA 0.133 4.604 4.470 0.001 0.000 0.287 209 S C 0.238 174.944 174.600 0.177 0.000 1.321 209 S CA -0.635 57.705 58.200 0.233 0.000 1.048 209 S CB -0.054 63.372 63.200 0.376 0.000 0.844 209 S HN 0.699 nan 8.310 nan 0.000 0.512 210 T N 1.516 116.177 114.554 0.178 0.000 2.906 210 T HA 0.234 4.585 4.350 0.001 0.000 0.320 210 T C -2.293 172.467 174.700 0.101 0.000 1.088 210 T CA -1.259 60.907 62.100 0.110 0.000 1.120 210 T CB -0.498 68.403 68.868 0.056 0.000 1.000 210 T HN 0.405 nan 8.240 nan 0.000 0.550 211 P HA 0.077 nan 4.420 nan 0.000 0.272 211 P C -0.515 176.793 177.300 0.013 0.000 1.230 211 P CA -0.449 62.573 63.100 -0.129 0.000 0.788 211 P CB -0.108 31.469 31.700 -0.204 0.000 0.949 212 Y N -1.027 119.348 120.300 0.125 0.000 2.976 212 Y HA -0.233 4.318 4.550 0.001 0.000 0.204 212 Y C 0.678 176.701 175.900 0.204 0.000 1.257 212 Y CA 1.173 59.346 58.100 0.121 0.000 0.856 212 Y CB -2.663 35.846 38.460 0.081 0.000 1.222 212 Y HN 0.562 nan 8.280 nan 0.000 0.442 213 H N 0.778 119.933 119.070 0.142 0.000 2.826 213 H HA 0.129 4.686 4.556 0.001 0.000 0.255 213 H C -2.305 173.090 175.328 0.112 0.000 1.427 213 H CA -1.143 54.981 56.048 0.127 0.000 1.521 213 H CB 1.560 31.398 29.762 0.127 0.000 1.934 213 H HN 0.068 nan 8.280 nan 0.000 0.644 214 P HA -0.074 nan 4.420 nan 0.000 0.233 214 P C 1.051 178.294 177.300 -0.095 0.000 1.167 214 P CA 0.551 63.639 63.100 -0.019 0.000 0.770 214 P CB 0.536 32.237 31.700 0.000 0.000 0.837 215 Q N 0.298 119.917 119.800 -0.301 0.000 2.135 215 Q HA -0.126 4.214 4.340 0.001 0.000 0.204 215 Q C 2.419 178.382 176.000 -0.062 0.000 0.981 215 Q CA 2.082 57.750 55.803 -0.226 0.000 0.856 215 Q CB -1.006 27.538 28.738 -0.323 0.000 0.902 215 Q HN 0.253 nan 8.270 nan 0.000 0.425 216 S N 0.230 115.979 115.700 0.082 0.000 2.359 216 S HA -0.121 4.350 4.470 0.001 0.000 0.224 216 S C 1.604 176.264 174.600 0.100 0.000 1.035 216 S CA 1.408 59.735 58.200 0.212 0.000 1.018 216 S CB -0.234 63.218 63.200 0.420 0.000 0.876 216 S HN 0.327 nan 8.310 nan 0.000 0.448 217 S N 1.387 117.176 115.700 0.149 0.000 2.803 217 S HA 0.246 4.716 4.470 0.001 0.000 0.228 217 S C 1.858 176.404 174.600 -0.090 0.000 0.953 217 S CA 0.210 58.482 58.200 0.120 0.000 0.983 217 S CB -0.329 63.022 63.200 0.252 0.000 0.784 217 S HN 0.594 nan 8.310 nan 0.000 0.498 218 G N 3.341 112.053 108.800 -0.146 0.000 2.624 218 G HA2 -0.348 3.612 3.960 0.001 0.000 0.221 218 G HA3 -0.348 3.612 3.960 0.001 0.000 0.221 218 G C 1.472 176.229 174.900 -0.238 0.000 1.169 218 G CA 1.098 46.095 45.100 -0.172 0.000 0.771 218 G HN 0.452 nan 8.290 nan 0.000 0.598 219 K N -0.184 119.944 120.400 -0.452 0.000 2.034 219 K HA -0.143 4.177 4.320 0.001 0.000 0.214 219 K C 2.713 179.165 176.600 -0.246 0.000 1.051 219 K CA 1.865 57.880 56.287 -0.453 0.000 0.931 219 K CB -0.479 31.499 32.500 -0.870 0.000 0.715 219 K HN 0.370 nan 8.250 nan 0.000 0.446 220 V N 1.284 121.089 119.914 -0.183 0.000 2.270 220 V HA -0.184 3.937 4.120 0.001 0.000 0.245 220 V C 2.185 178.255 176.094 -0.039 0.000 1.043 220 V CA 1.551 63.828 62.300 -0.038 0.000 1.014 220 V CB -0.577 31.280 31.823 0.056 0.000 0.645 220 V HN 0.208 nan 8.190 nan 0.000 0.447 221 E N 0.760 120.937 120.200 -0.038 0.000 2.070 221 E HA -0.273 4.077 4.350 0.001 0.000 0.197 221 E C 2.330 178.903 176.600 -0.045 0.000 1.004 221 E CA 1.841 58.225 56.400 -0.026 0.000 0.805 221 E CB -0.434 29.252 29.700 -0.023 0.000 0.744 221 E HN 0.487 nan 8.360 nan 0.000 0.451 222 R N 1.540 121.998 120.500 -0.070 0.000 2.096 222 R HA -0.120 4.221 4.340 0.001 0.000 0.235 222 R C 2.065 178.328 176.300 -0.062 0.000 1.127 222 R CA 1.757 57.817 56.100 -0.067 0.000 0.968 222 R CB -0.308 29.944 30.300 -0.080 0.000 0.861 222 R HN -0.070 nan 8.270 nan 0.000 0.440 223 K N 0.468 120.827 120.400 -0.068 0.000 2.097 223 K HA -0.040 4.280 4.320 0.001 0.000 0.206 223 K C 1.539 178.105 176.600 -0.057 0.000 1.049 223 K CA 1.662 57.910 56.287 -0.065 0.000 0.933 223 K CB -0.284 32.178 32.500 -0.064 0.000 0.717 223 K HN 0.229 nan 8.250 nan 0.000 0.442 224 N N 0.186 118.860 118.700 -0.043 0.000 2.061 224 N HA -0.206 4.534 4.740 0.001 0.000 0.193 224 N C 1.750 177.231 175.510 -0.048 0.000 1.030 224 N CA 1.620 54.647 53.050 -0.039 0.000 0.856 224 N CB -0.929 37.547 38.487 -0.019 0.000 1.023 224 N HN 0.291 nan 8.380 nan 0.000 0.424 225 S N 0.938 116.611 115.700 -0.045 0.000 2.368 225 S HA -0.194 4.277 4.470 0.001 0.000 0.226 225 S C 1.540 176.110 174.600 -0.050 0.000 1.044 225 S CA 1.557 59.730 58.200 -0.045 0.000 1.062 225 S CB -0.388 62.787 63.200 -0.041 0.000 0.931 225 S HN 0.225 nan 8.310 nan 0.000 0.440 226 D N 0.531 120.899 120.400 -0.054 0.000 2.149 226 D HA -0.072 4.569 4.640 0.001 0.000 0.198 226 D C 1.942 178.203 176.300 -0.064 0.000 0.990 226 D CA 1.428 55.392 54.000 -0.059 0.000 0.839 226 D CB -0.214 40.547 40.800 -0.065 0.000 0.948 226 D HN 0.507 nan 8.370 nan 0.000 0.460 227 I N 1.001 121.530 120.570 -0.068 0.000 2.163 227 I HA -0.232 3.938 4.170 0.001 0.000 0.240 227 I C 2.488 178.564 176.117 -0.068 0.000 1.081 227 I CA 1.025 62.281 61.300 -0.072 0.000 1.353 227 I CB -0.094 37.861 38.000 -0.075 0.000 1.054 227 I HN -0.138 nan 8.210 nan 0.000 0.407 228 K N 0.436 120.794 120.400 -0.070 0.000 2.032 228 K HA -0.227 4.094 4.320 0.001 0.000 0.209 228 K C 2.298 178.866 176.600 -0.053 0.000 1.048 228 K CA 1.479 57.724 56.287 -0.071 0.000 0.927 228 K CB -0.273 32.184 32.500 -0.071 0.000 0.712 228 K HN 0.161 nan 8.250 nan 0.000 0.441 229 R N 1.019 121.491 120.500 -0.047 0.000 2.096 229 R HA -0.186 4.154 4.340 0.001 0.000 0.240 229 R C 2.318 178.596 176.300 -0.036 0.000 1.139 229 R CA 1.424 57.500 56.100 -0.039 0.000 0.952 229 R CB -0.293 29.984 30.300 -0.039 0.000 0.854 229 R HN 0.114 nan 8.270 nan 0.000 0.436 230 L N 0.547 121.745 121.223 -0.041 0.000 2.072 230 L HA -0.047 4.294 4.340 0.001 0.000 0.205 230 L C 2.001 178.857 176.870 -0.024 0.000 1.079 230 L CA 1.454 56.272 54.840 -0.036 0.000 0.752 230 L CB -0.399 41.632 42.059 -0.047 0.000 0.906 230 L HN 0.258 nan 8.230 nan 0.000 0.436 231 L N -0.889 120.321 121.223 -0.022 0.000 1.997 231 L HA -0.320 4.020 4.340 0.001 0.000 0.216 231 L C 2.386 179.261 176.870 0.008 0.000 1.074 231 L CA 2.185 57.026 54.840 0.002 0.000 0.763 231 L CB -1.019 41.034 42.059 -0.010 0.000 0.890 231 L HN 0.337 nan 8.230 nan 0.000 0.434 232 T N -0.545 114.004 114.554 -0.009 0.000 2.622 232 T HA -0.247 4.103 4.350 0.001 0.000 0.266 232 T C 1.826 176.526 174.700 -0.001 0.000 1.047 232 T CA 1.603 63.700 62.100 -0.005 0.000 1.159 232 T CB -0.210 68.648 68.868 -0.016 0.000 0.863 232 T HN 0.282 nan 8.240 nan 0.000 0.422 233 K N 0.796 121.191 120.400 -0.009 0.000 2.059 233 K HA -0.095 4.226 4.320 0.001 0.000 0.212 233 K C 2.195 178.793 176.600 -0.003 0.000 1.050 233 K CA 1.319 57.600 56.287 -0.010 0.000 0.927 233 K CB -0.480 32.010 32.500 -0.017 0.000 0.714 233 K HN 0.314 nan 8.250 nan 0.000 0.447 234 L N 0.589 121.813 121.223 0.001 0.000 2.376 234 L HA -0.068 4.272 4.340 0.001 0.000 0.219 234 L C 1.690 178.570 176.870 0.018 0.000 1.133 234 L CA 0.517 55.361 54.840 0.007 0.000 0.816 234 L CB -0.063 42.001 42.059 0.007 0.000 0.933 234 L HN 0.166 nan 8.230 nan 0.000 0.449 235 L N -0.653 120.585 121.223 0.025 0.000 2.700 235 L HA 0.158 4.499 4.340 0.001 0.000 0.234 235 L C 0.373 177.257 176.870 0.024 0.000 1.156 235 L CA -0.457 54.404 54.840 0.035 0.000 0.946 235 L CB 0.528 42.623 42.059 0.058 0.000 1.216 235 L HN -0.089 nan 8.230 nan 0.000 0.493 236 V N 1.426 121.348 119.914 0.013 0.000 2.599 236 V HA 0.089 4.210 4.120 0.001 0.000 0.300 236 V C 1.466 177.566 176.094 0.009 0.000 1.034 236 V CA 1.029 63.334 62.300 0.009 0.000 1.115 236 V CB 0.496 32.320 31.823 0.002 0.000 0.934 236 V HN 0.689 nan 8.190 nan 0.000 0.485 237 G N 4.364 113.169 108.800 0.009 0.000 2.283 237 G HA2 -0.288 3.673 3.960 0.001 0.000 0.280 237 G HA3 -0.288 3.673 3.960 0.001 0.000 0.280 237 G C 0.176 175.082 174.900 0.010 0.000 1.029 237 G CA 0.891 45.996 45.100 0.008 0.000 0.840 237 G HN 0.837 nan 8.290 nan 0.000 0.505 238 R N -0.248 120.261 120.500 0.015 0.000 2.668 238 R HA 0.528 4.868 4.340 0.001 0.000 0.272 238 R C -2.404 173.911 176.300 0.025 0.000 1.019 238 R CA -1.796 54.314 56.100 0.017 0.000 0.894 238 R CB 1.949 32.260 30.300 0.018 0.000 1.228 238 R HN 0.044 nan 8.270 nan 0.000 0.460 239 P HA -0.007 nan 4.420 nan 0.000 0.266 239 P C -0.375 176.955 177.300 0.050 0.000 1.193 239 P CA 0.087 63.205 63.100 0.030 0.000 0.770 239 P CB 0.406 32.117 31.700 0.018 0.000 0.836 240 T N -0.565 114.034 114.554 0.075 0.000 4.219 240 T HA 0.148 4.498 4.350 0.001 0.000 0.263 240 T C 0.411 175.211 174.700 0.167 0.000 1.217 240 T CA -0.448 61.734 62.100 0.137 0.000 1.145 240 T CB -0.702 68.263 68.868 0.161 0.000 1.298 240 T HN 0.210 nan 8.240 nan 0.000 0.999 241 K N 2.802 123.253 120.400 0.085 0.000 2.290 241 K HA 0.159 4.480 4.320 0.001 0.000 0.250 241 K C 0.809 177.401 176.600 -0.014 0.000 1.092 241 K CA -0.644 55.624 56.287 -0.031 0.000 1.006 241 K CB 0.315 32.775 32.500 -0.066 0.000 1.549 241 K HN 0.756 nan 8.250 nan 0.000 0.436 242 W N 2.374 123.709 121.300 0.058 0.000 2.658 242 W HA -0.116 4.545 4.660 0.001 0.000 0.263 242 W C 1.186 177.735 176.519 0.049 0.000 1.274 242 W CA -0.138 57.231 57.345 0.040 0.000 1.343 242 W CB -0.873 28.605 29.460 0.030 0.000 1.106 242 W HN 0.467 nan 8.180 nan 0.000 0.615 243 Y N 3.199 123.121 120.300 -0.630 0.000 2.014 243 Y HA -0.339 4.212 4.550 0.002 0.000 0.272 243 Y C 2.008 177.797 175.900 -0.186 0.000 1.164 243 Y CA 2.775 60.559 58.100 -0.527 0.000 1.114 243 Y CB -0.767 37.259 38.460 -0.723 0.000 0.961 243 Y HN -0.223 nan 8.280 nan 0.000 0.489 244 D N -0.069 120.345 120.400 0.023 0.000 2.389 244 D HA -0.123 4.517 4.640 0.001 0.000 0.221 244 D C 1.824 178.095 176.300 -0.047 0.000 0.974 244 D CA 0.961 54.958 54.000 -0.005 0.000 0.923 244 D CB -0.164 40.661 40.800 0.041 0.000 0.892 244 D HN 0.446 nan 8.370 nan 0.000 0.518 245 L N -0.635 120.575 121.223 -0.021 0.000 2.463 245 L HA 0.105 4.446 4.340 0.001 0.000 0.219 245 L C 2.148 179.009 176.870 -0.016 0.000 1.088 245 L CA 0.022 54.864 54.840 0.004 0.000 0.849 245 L CB 0.131 42.225 42.059 0.058 0.000 1.012 245 L HN 0.013 nan 8.230 nan 0.000 0.468 246 L N 0.595 121.806 121.223 -0.021 0.000 1.997 246 L HA -0.212 4.128 4.340 0.001 0.000 0.216 246 L C -0.210 176.604 176.870 -0.094 0.000 1.074 246 L CA 1.832 56.648 54.840 -0.040 0.000 0.763 246 L CB -1.935 40.103 42.059 -0.034 0.000 0.890 246 L HN 0.195 nan 8.230 nan 0.000 0.434 247 P HA -0.189 nan 4.420 nan 0.000 0.218 247 P C 1.854 179.102 177.300 -0.086 0.000 1.154 247 P CA 1.517 64.556 63.100 -0.100 0.000 0.872 247 P CB -0.044 31.604 31.700 -0.087 0.000 0.790 248 V N -1.045 118.827 119.914 -0.070 0.000 2.379 248 V HA -0.161 3.959 4.120 0.001 0.000 0.245 248 V C 2.507 178.555 176.094 -0.078 0.000 1.044 248 V CA 1.536 63.798 62.300 -0.062 0.000 1.036 248 V CB -1.328 30.471 31.823 -0.041 0.000 0.664 248 V HN -0.045 nan 8.190 nan 0.000 0.453 249 V N 0.154 120.023 119.914 -0.074 0.000 2.332 249 V HA -0.360 3.761 4.120 0.001 0.000 0.248 249 V C 2.510 178.522 176.094 -0.136 0.000 1.055 249 V CA 2.506 64.753 62.300 -0.088 0.000 1.038 249 V CB -0.706 31.078 31.823 -0.065 0.000 0.651 249 V HN 0.652 nan 8.190 nan 0.000 0.450 250 Q N -0.425 119.280 119.800 -0.159 0.000 2.014 250 Q HA -0.285 4.055 4.340 0.001 0.000 0.207 250 Q C 2.306 178.144 176.000 -0.270 0.000 0.993 250 Q CA 2.483 58.142 55.803 -0.240 0.000 0.850 250 Q CB -0.303 28.288 28.738 -0.244 0.000 0.916 250 Q HN 0.527 nan 8.270 nan 0.000 0.417 251 L N 0.710 121.815 121.223 -0.195 0.000 2.012 251 L HA -0.160 4.181 4.340 0.001 0.000 0.210 251 L C 2.303 179.069 176.870 -0.174 0.000 1.073 251 L CA 2.289 57.025 54.840 -0.175 0.000 0.748 251 L CB -0.892 41.101 42.059 -0.111 0.000 0.891 251 L HN 0.350 nan 8.230 nan 0.000 0.431 252 A N -0.596 122.138 122.820 -0.143 0.000 1.851 252 A HA -0.229 4.092 4.320 0.001 0.000 0.216 252 A C 2.303 179.799 177.584 -0.147 0.000 1.195 252 A CA 2.279 54.243 52.037 -0.123 0.000 0.622 252 A CB -1.055 17.887 19.000 -0.096 0.000 0.831 252 A HN 0.479 nan 8.150 nan 0.000 0.444 253 L N -0.459 120.662 121.223 -0.171 0.000 2.093 253 L HA -0.158 4.182 4.340 0.001 0.000 0.208 253 L C 2.229 178.963 176.870 -0.228 0.000 1.085 253 L CA 0.958 55.691 54.840 -0.179 0.000 0.755 253 L CB -0.445 41.506 42.059 -0.179 0.000 0.904 253 L HN 0.383 nan 8.230 nan 0.000 0.435 254 N N -0.034 118.468 118.700 -0.330 0.000 2.244 254 N HA -0.131 4.609 4.740 0.001 0.000 0.183 254 N C 1.074 176.469 175.510 -0.192 0.000 1.016 254 N CA 0.945 53.740 53.050 -0.424 0.000 0.866 254 N CB -0.197 37.796 38.487 -0.824 0.000 0.980 254 N HN 0.313 nan 8.380 nan 0.000 0.430 255 N N 0.126 118.719 118.700 -0.179 0.000 2.295 255 N HA 0.035 4.776 4.740 0.001 0.000 0.221 255 N C -0.553 174.839 175.510 -0.197 0.000 1.129 255 N CA 0.235 53.185 53.050 -0.167 0.000 0.836 255 N CB 0.551 38.927 38.487 -0.186 0.000 1.040 255 N HN -0.013 nan 8.380 nan 0.000 0.494 256 T N 0.926 115.379 114.554 -0.168 0.000 2.756 256 T HA 0.256 4.606 4.350 0.001 0.000 0.290 256 T C -0.183 174.464 174.700 -0.088 0.000 0.985 256 T CA -0.364 61.663 62.100 -0.120 0.000 0.955 256 T CB 0.443 69.264 68.868 -0.078 0.000 0.930 256 T HN 0.026 nan 8.240 nan 0.000 0.451 257 Y N 2.303 122.590 120.300 -0.022 0.000 2.810 257 Y HA 0.056 4.607 4.550 0.001 0.000 0.332 257 Y C 1.369 177.259 175.900 -0.016 0.000 1.243 257 Y CA 0.304 58.396 58.100 -0.013 0.000 1.537 257 Y CB 0.413 38.847 38.460 -0.043 0.000 1.265 257 Y HN 0.474 nan 8.280 nan 0.000 0.572 258 S N 5.981 121.778 115.700 0.162 0.000 2.416 258 S HA 0.216 4.686 4.470 0.001 0.000 0.287 258 S C -1.623 173.028 174.600 0.085 0.000 1.139 258 S CA -1.632 56.626 58.200 0.098 0.000 1.058 258 S CB 0.745 63.999 63.200 0.091 0.000 0.967 258 S HN 0.414 nan 8.310 nan 0.000 0.495 259 P HA -0.176 nan 4.420 nan 0.000 0.216 259 P C 1.660 178.933 177.300 -0.044 0.000 1.154 259 P CA 1.488 64.576 63.100 -0.020 0.000 0.865 259 P CB -0.192 31.483 31.700 -0.043 0.000 0.789 260 V N -3.470 116.405 119.914 -0.065 0.000 2.515 260 V HA -0.158 3.962 4.120 0.001 0.000 0.250 260 V C 2.078 178.159 176.094 -0.020 0.000 1.058 260 V CA 1.690 63.905 62.300 -0.142 0.000 1.064 260 V CB -1.657 29.983 31.823 -0.306 0.000 0.675 260 V HN 0.042 nan 8.190 nan 0.000 0.461 261 L N -0.550 120.727 121.223 0.090 0.000 2.375 261 L HA 0.177 4.518 4.340 0.001 0.000 0.215 261 L C 1.268 178.294 176.870 0.260 0.000 1.108 261 L CA 0.394 55.370 54.840 0.225 0.000 0.830 261 L CB -0.349 41.871 42.059 0.268 0.000 0.959 261 L HN 0.327 nan 8.230 nan 0.000 0.457 262 K N -1.196 119.263 120.400 0.098 0.000 3.160 262 K HA -0.230 4.091 4.320 0.001 0.000 0.280 262 K C -1.073 175.417 176.600 -0.183 0.000 1.154 262 K CA 1.034 57.272 56.287 -0.082 0.000 0.822 262 K CB -2.679 29.685 32.500 -0.228 0.000 1.239 262 K HN 0.316 nan 8.250 nan 0.000 0.489 263 Y N -0.511 119.967 120.300 0.296 0.000 2.562 263 Y HA 0.350 4.900 4.550 0.001 0.000 0.345 263 Y C 0.702 176.645 175.900 0.071 0.000 1.045 263 Y CA -0.611 57.633 58.100 0.239 0.000 1.028 263 Y CB 1.868 40.412 38.460 0.140 0.000 1.297 263 Y HN 0.108 nan 8.280 nan 0.000 0.463 264 T N -0.862 113.713 114.554 0.035 0.000 2.837 264 T HA 0.324 4.674 4.350 0.001 0.000 0.285 264 T C -2.307 172.446 174.700 0.089 0.000 0.984 264 T CA -2.358 59.693 62.100 -0.081 0.000 1.049 264 T CB 1.747 70.424 68.868 -0.318 0.000 0.947 264 T HN 0.267 nan 8.240 nan 0.000 0.472 265 P HA -0.266 nan 4.420 nan 0.000 0.219 265 P C 1.335 178.834 177.300 0.333 0.000 1.153 265 P CA 1.434 64.624 63.100 0.150 0.000 0.865 265 P CB -0.164 31.558 31.700 0.038 0.000 0.788 266 H N -0.014 119.228 119.070 0.287 0.000 2.321 266 H HA -0.139 4.418 4.556 0.001 0.000 0.300 266 H C 1.888 177.421 175.328 0.341 0.000 1.087 266 H CA 1.908 58.233 56.048 0.461 0.000 1.319 266 H CB -0.236 29.717 29.762 0.318 0.000 1.379 266 H HN 0.170 nan 8.280 nan 0.000 0.501 267 Q N 0.282 120.264 119.800 0.304 0.000 2.030 267 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 267 Q C 2.832 178.892 176.000 0.101 0.000 0.986 267 Q CA 1.697 57.641 55.803 0.236 0.000 0.843 267 Q CB -0.078 28.843 28.738 0.305 0.000 0.904 267 Q HN 0.442 nan 8.270 nan 0.000 0.420 268 L N 0.164 121.423 121.223 0.061 0.000 2.187 268 L HA -0.199 4.141 4.340 0.001 0.000 0.213 268 L C 2.240 179.029 176.870 -0.135 0.000 1.100 268 L CA 0.416 55.224 54.840 -0.054 0.000 0.765 268 L CB -0.310 41.730 42.059 -0.031 0.000 0.904 268 L HN 0.259 nan 8.230 nan 0.000 0.437 269 L N -1.659 119.434 121.223 -0.216 0.000 2.249 269 L HA 0.011 4.352 4.340 0.001 0.000 0.207 269 L C 1.605 178.048 176.870 -0.710 0.000 1.090 269 L CA 1.746 56.240 54.840 -0.576 0.000 0.802 269 L CB -0.011 41.451 42.059 -0.996 0.000 0.947 269 L HN 0.043 nan 8.230 nan 0.000 0.453 270 F N -2.141 117.685 119.950 -0.206 0.000 2.747 270 F HA 0.423 4.951 4.527 0.001 0.000 0.305 270 F C 1.873 177.629 175.800 -0.072 0.000 1.065 270 F CA 0.416 58.313 58.000 -0.171 0.000 1.230 270 F CB 0.220 39.032 39.000 -0.314 0.000 1.027 270 F HN -0.010 nan 8.300 nan 0.000 0.607 271 G N 1.389 110.272 108.800 0.138 0.000 2.241 271 G HA2 -0.276 3.684 3.960 0.001 0.000 0.244 271 G HA3 -0.276 3.684 3.960 0.001 0.000 0.244 271 G C -0.024 174.975 174.900 0.164 0.000 0.998 271 G CA 0.307 45.482 45.100 0.126 0.000 0.621 271 G HN 0.279 nan 8.290 nan 0.000 0.519 272 I N -1.178 119.504 120.570 0.187 0.000 2.769 272 I HA 0.694 4.864 4.170 0.001 0.000 0.298 272 I C -0.871 175.412 176.117 0.277 0.000 1.128 272 I CA -2.044 59.370 61.300 0.189 0.000 1.031 272 I CB 1.435 39.512 38.000 0.129 0.000 1.235 272 I HN -0.156 nan 8.210 nan 0.000 0.423 273 D N 2.518 123.066 120.400 0.245 0.000 2.399 273 D HA 0.339 4.979 4.640 0.001 0.000 0.241 273 D C 0.547 176.911 176.300 0.108 0.000 1.133 273 D CA 0.222 54.333 54.000 0.184 0.000 0.890 273 D CB 1.043 41.881 40.800 0.063 0.000 1.201 273 D HN 0.803 nan 8.370 nan 0.000 0.432 274 S N 1.355 117.022 115.700 -0.055 0.000 2.397 274 S HA 0.106 4.577 4.470 0.001 0.000 0.261 274 S C 0.669 175.225 174.600 -0.073 0.000 1.187 274 S CA -0.594 57.566 58.200 -0.066 0.000 1.023 274 S CB 0.117 63.250 63.200 -0.112 0.000 1.103 274 S HN 0.363 nan 8.310 nan 0.000 0.474 275 N N 2.107 120.768 118.700 -0.065 0.000 3.052 275 N HA 0.216 4.957 4.740 0.001 0.000 0.302 275 N C -0.508 174.969 175.510 -0.056 0.000 1.332 275 N CA -0.191 52.830 53.050 -0.048 0.000 1.129 275 N CB -0.828 37.640 38.487 -0.033 0.000 1.436 275 N HN 0.701 nan 8.380 nan 0.000 0.536 276 T N -1.477 113.031 114.554 -0.078 0.000 2.918 276 T HA 0.526 4.877 4.350 0.001 0.000 0.283 276 T C -2.442 172.252 174.700 -0.009 0.000 1.001 276 T CA -1.721 60.342 62.100 -0.062 0.000 1.041 276 T CB 1.432 70.229 68.868 -0.117 0.000 1.028 276 T HN 0.071 nan 8.240 nan 0.000 0.511 277 P HA 0.228 nan 4.420 nan 0.000 0.272 277 P C -0.192 177.263 177.300 0.259 0.000 1.223 277 P CA -0.362 62.801 63.100 0.105 0.000 0.784 277 P CB -0.132 31.679 31.700 0.185 0.000 0.923 278 F N -2.174 117.774 119.950 -0.003 0.000 3.074 278 F HA -0.224 4.303 4.527 0.001 0.000 0.287 278 F C 0.904 176.724 175.800 0.032 0.000 0.932 278 F CA 0.393 58.404 58.000 0.019 0.000 0.995 278 F CB -2.054 36.966 39.000 0.032 0.000 0.966 278 F HN 0.384 nan 8.300 nan 0.000 0.721 279 A N 0.888 123.761 122.820 0.088 0.000 2.520 279 A HA 0.259 4.580 4.320 0.001 0.000 0.245 279 A C 0.690 178.329 177.584 0.091 0.000 1.072 279 A CA -0.092 51.985 52.037 0.065 0.000 0.761 279 A CB 0.231 19.240 19.000 0.014 0.000 1.004 279 A HN 0.457 nan 8.150 nan 0.000 0.499 280 N N 1.151 119.924 118.700 0.122 0.000 2.503 280 N HA 0.161 4.901 4.740 0.001 0.000 0.267 280 N C 0.054 175.621 175.510 0.095 0.000 1.214 280 N CA 0.319 53.449 53.050 0.133 0.000 0.959 280 N CB 0.691 39.291 38.487 0.189 0.000 1.142 280 N HN 0.729 nan 8.380 nan 0.000 0.455 281 Q N 0.543 120.392 119.800 0.080 0.000 2.052 281 Q HA 0.207 4.548 4.340 0.001 0.000 0.250 281 Q C -0.842 175.192 176.000 0.057 0.000 0.851 281 Q CA -0.552 55.288 55.803 0.061 0.000 1.029 281 Q CB 0.169 28.931 28.738 0.039 0.000 1.274 281 Q HN 0.382 nan 8.270 nan 0.000 0.411 282 D N 1.858 122.299 120.400 0.069 0.000 2.091 282 D HA -0.123 4.518 4.640 0.001 0.000 0.199 282 D C 1.630 177.966 176.300 0.060 0.000 0.980 282 D CA 2.276 56.312 54.000 0.060 0.000 0.831 282 D CB -0.098 40.742 40.800 0.067 0.000 0.987 282 D HN 0.509 nan 8.370 nan 0.000 0.460 283 T N -0.431 114.167 114.554 0.075 0.000 3.496 283 T HA 0.039 4.390 4.350 0.001 0.000 0.253 283 T C 1.593 176.327 174.700 0.058 0.000 1.134 283 T CA -0.099 62.043 62.100 0.070 0.000 0.993 283 T CB -0.307 68.613 68.868 0.086 0.000 1.018 283 T HN -0.117 nan 8.240 nan 0.000 0.571 284 L N 1.049 122.302 121.223 0.049 0.000 2.109 284 L HA 0.114 4.454 4.340 0.001 0.000 0.207 284 L C 1.922 178.812 176.870 0.033 0.000 1.086 284 L CA 1.596 56.460 54.840 0.040 0.000 0.760 284 L CB -0.316 41.763 42.059 0.033 0.000 0.910 284 L HN 0.202 nan 8.230 nan 0.000 0.437 285 D N -0.870 119.549 120.400 0.031 0.000 2.289 285 D HA 0.060 4.700 4.640 0.001 0.000 0.207 285 D C 0.895 177.212 176.300 0.027 0.000 0.966 285 D CA 0.244 54.260 54.000 0.026 0.000 0.868 285 D CB 0.152 40.965 40.800 0.023 0.000 0.943 285 D HN 0.209 nan 8.370 nan 0.000 0.514 286 L N 1.319 122.561 121.223 0.033 0.000 2.473 286 L HA 0.097 4.437 4.340 0.001 0.000 0.268 286 L C 1.370 178.258 176.870 0.031 0.000 1.215 286 L CA -0.125 54.735 54.840 0.032 0.000 0.823 286 L CB 0.008 42.090 42.059 0.038 0.000 1.099 286 L HN -0.018 nan 8.230 nan 0.000 0.483 287 T N -1.297 113.274 114.554 0.028 0.000 2.813 287 T HA 0.083 4.434 4.350 0.001 0.000 0.297 287 T C 1.044 175.763 174.700 0.031 0.000 1.036 287 T CA -0.516 61.600 62.100 0.027 0.000 1.044 287 T CB 1.188 70.070 68.868 0.022 0.000 0.993 287 T HN 0.627 nan 8.240 nan 0.000 0.535 288 R N 0.871 121.390 120.500 0.032 0.000 2.105 288 R HA -0.107 4.233 4.340 0.001 0.000 0.239 288 R C 2.222 178.542 176.300 0.034 0.000 1.135 288 R CA 2.022 58.145 56.100 0.037 0.000 0.967 288 R CB -0.871 29.451 30.300 0.036 0.000 0.861 288 R HN 0.888 nan 8.270 nan 0.000 0.442 289 E N 0.104 120.320 120.200 0.027 0.000 2.051 289 E HA -0.197 4.153 4.350 0.001 0.000 0.192 289 E C 1.868 178.483 176.600 0.024 0.000 0.991 289 E CA 1.587 58.001 56.400 0.023 0.000 0.799 289 E CB -0.146 29.565 29.700 0.018 0.000 0.748 289 E HN 0.558 nan 8.360 nan 0.000 0.449 290 E N 0.825 121.041 120.200 0.026 0.000 2.204 290 E HA -0.166 4.185 4.350 0.001 0.000 0.194 290 E C 2.008 178.628 176.600 0.034 0.000 0.989 290 E CA 0.648 57.065 56.400 0.027 0.000 0.824 290 E CB 0.043 29.759 29.700 0.027 0.000 0.756 290 E HN 0.269 nan 8.360 nan 0.000 0.477 291 E N 0.745 120.969 120.200 0.039 0.000 2.046 291 E HA -0.134 4.216 4.350 0.001 0.000 0.190 291 E C 1.979 178.605 176.600 0.044 0.000 0.982 291 E CA 0.573 57.003 56.400 0.048 0.000 0.800 291 E CB 0.076 29.809 29.700 0.055 0.000 0.756 291 E HN 0.198 nan 8.360 nan 0.000 0.449 292 L N 0.913 122.158 121.223 0.037 0.000 2.191 292 L HA -0.158 4.182 4.340 0.001 0.000 0.212 292 L C 2.718 179.598 176.870 0.017 0.000 1.103 292 L CA 1.188 56.045 54.840 0.028 0.000 0.769 292 L CB -0.369 41.706 42.059 0.027 0.000 0.908 292 L HN 0.234 nan 8.230 nan 0.000 0.438 293 S N 0.136 115.847 115.700 0.018 0.000 2.357 293 S HA -0.200 4.271 4.470 0.001 0.000 0.221 293 S C 1.976 176.583 174.600 0.012 0.000 1.031 293 S CA 0.793 59.000 58.200 0.013 0.000 0.982 293 S CB -0.721 62.488 63.200 0.014 0.000 0.853 293 S HN 0.275 nan 8.310 nan 0.000 0.458 294 L N 1.027 122.263 121.223 0.022 0.000 2.081 294 L HA -0.046 4.295 4.340 0.001 0.000 0.212 294 L C 2.365 179.240 176.870 0.009 0.000 1.080 294 L CA 1.575 56.431 54.840 0.027 0.000 0.754 294 L CB -0.771 41.318 42.059 0.049 0.000 0.893 294 L HN 0.434 nan 8.230 nan 0.000 0.433 295 L N -0.508 120.716 121.223 0.001 0.000 1.989 295 L HA -0.253 4.088 4.340 0.001 0.000 0.211 295 L C 2.542 179.380 176.870 -0.052 0.000 1.071 295 L CA 1.875 56.695 54.840 -0.034 0.000 0.749 295 L CB -1.014 41.033 42.059 -0.020 0.000 0.890 295 L HN 0.427 nan 8.230 nan 0.000 0.431 296 Q N -0.496 119.287 119.800 -0.030 0.000 2.152 296 Q HA -0.283 4.057 4.340 0.001 0.000 0.206 296 Q C 2.166 178.146 176.000 -0.032 0.000 0.985 296 Q CA 1.935 57.720 55.803 -0.030 0.000 0.863 296 Q CB -0.457 28.271 28.738 -0.017 0.000 0.904 296 Q HN 0.626 nan 8.270 nan 0.000 0.422 297 E N 0.793 120.980 120.200 -0.023 0.000 2.107 297 E HA -0.046 4.304 4.350 0.001 0.000 0.191 297 E C 1.946 178.529 176.600 -0.028 0.000 0.982 297 E CA 0.536 56.928 56.400 -0.013 0.000 0.809 297 E CB -0.147 29.557 29.700 0.006 0.000 0.756 297 E HN 0.353 nan 8.360 nan 0.000 0.459 298 I N 0.230 120.761 120.570 -0.065 0.000 2.142 298 I HA -0.269 3.902 4.170 0.001 0.000 0.240 298 I C 2.354 178.387 176.117 -0.140 0.000 1.078 298 I CA 1.260 62.474 61.300 -0.143 0.000 1.343 298 I CB -0.216 37.575 38.000 -0.349 0.000 1.046 298 I HN 0.022 nan 8.210 nan 0.000 0.405 299 R N 0.192 120.615 120.500 -0.129 0.000 2.200 299 R HA -0.153 4.187 4.340 0.001 0.000 0.234 299 R C 2.222 178.488 176.300 -0.058 0.000 1.127 299 R CA 1.926 57.969 56.100 -0.096 0.000 0.989 299 R CB -0.575 29.676 30.300 -0.082 0.000 0.869 299 R HN 0.570 nan 8.270 nan 0.000 0.459 300 T N -2.452 112.075 114.554 -0.044 0.000 2.976 300 T HA -0.027 4.324 4.350 0.001 0.000 0.257 300 T C 1.613 176.303 174.700 -0.016 0.000 1.051 300 T CA 0.673 62.755 62.100 -0.031 0.000 1.141 300 T CB 0.069 68.922 68.868 -0.024 0.000 0.881 300 T HN 0.167 nan 8.240 nan 0.000 0.461 301 S N 1.414 117.113 115.700 -0.002 0.000 2.582 301 S HA 0.434 4.905 4.470 0.001 0.000 0.249 301 S C 0.204 174.841 174.600 0.061 0.000 1.072 301 S CA -0.782 57.435 58.200 0.029 0.000 1.115 301 S CB -1.036 62.189 63.200 0.041 0.000 0.790 301 S HN 0.429 nan 8.310 nan 0.000 0.459 302 L N 2.617 123.869 121.223 0.048 0.000 2.380 302 L HA 0.326 4.666 4.340 0.001 0.000 0.273 302 L C 0.516 177.474 176.870 0.147 0.000 1.138 302 L CA -1.043 53.860 54.840 0.104 0.000 0.832 302 L CB 0.313 42.416 42.059 0.074 0.000 1.124 302 L HN 0.470 nan 8.230 nan 0.000 0.454 303 Y N 3.439 123.796 120.300 0.094 0.000 2.904 303 Y HA -0.088 4.462 4.550 0.001 0.000 0.336 303 Y C -0.304 175.680 175.900 0.139 0.000 1.263 303 Y CA 0.291 58.448 58.100 0.095 0.000 1.547 303 Y CB 0.109 38.612 38.460 0.071 0.000 1.272 303 Y HN 0.511 nan 8.280 nan 0.000 0.596 304 H N 7.038 125.556 119.070 -0.920 0.000 2.877 304 H HA 0.472 5.029 4.556 0.001 0.000 0.347 304 H C -2.733 172.040 175.328 -0.925 0.000 1.042 304 H CA -2.173 53.415 56.048 -0.767 0.000 1.276 304 H CB 1.496 31.072 29.762 -0.311 0.000 1.681 304 H HN 0.543 nan 8.280 nan 0.000 0.521 305 P HA 0.176 nan 4.420 nan 0.000 0.274 305 P C -0.617 176.429 177.300 -0.423 0.000 1.231 305 P CA -0.534 62.216 63.100 -0.583 0.000 0.790 305 P CB 1.361 32.887 31.700 -0.289 0.000 0.951 306 S N -0.035 115.560 115.700 -0.176 0.000 2.687 306 S HA 0.395 4.866 4.470 0.001 0.000 0.283 306 S C 0.245 174.807 174.600 -0.063 0.000 1.170 306 S CA -0.557 57.593 58.200 -0.084 0.000 1.008 306 S CB 0.444 63.627 63.200 -0.029 0.000 1.026 306 S HN 0.667 nan 8.310 nan 0.000 0.541 307 T N 1.099 115.634 114.554 -0.032 0.000 2.902 307 T HA 0.335 4.685 4.350 0.001 0.000 0.301 307 T C -2.071 172.622 174.700 -0.012 0.000 1.012 307 T CA -1.145 60.943 62.100 -0.020 0.000 1.151 307 T CB -0.444 68.419 68.868 -0.008 0.000 0.946 307 T HN 0.611 nan 8.240 nan 0.000 0.542 308 P HA 0.292 nan 4.420 nan 0.000 0.272 308 P C -2.538 174.763 177.300 0.001 0.000 1.230 308 P CA -1.550 61.550 63.100 -0.001 0.000 0.788 308 P CB -0.540 31.161 31.700 0.001 0.000 0.949 309 P HA 0.089 nan 4.420 nan 0.000 0.268 309 P C -0.198 177.107 177.300 0.008 0.000 1.204 309 P CA -0.006 63.098 63.100 0.007 0.000 0.768 309 P CB 0.243 31.949 31.700 0.010 0.000 0.842 310 A N 3.166 125.990 122.820 0.006 0.000 2.531 310 A HA 0.182 4.502 4.320 0.001 0.000 0.236 310 A C 0.929 178.524 177.584 0.018 0.000 1.062 310 A CA 0.063 52.105 52.037 0.008 0.000 0.760 310 A CB -0.430 18.573 19.000 0.005 0.000 0.995 310 A HN 0.607 nan 8.150 nan 0.000 0.501 311 S N 1.596 117.311 115.700 0.025 0.000 2.572 311 S HA 0.140 4.611 4.470 0.001 0.000 0.279 311 S C 1.419 176.043 174.600 0.039 0.000 1.341 311 S CA 0.007 58.228 58.200 0.034 0.000 1.043 311 S CB 0.294 63.521 63.200 0.046 0.000 0.887 311 S HN 0.935 nan 8.310 nan 0.000 0.516 312 S N 3.963 119.684 115.700 0.036 0.000 2.420 312 S HA -0.051 4.420 4.470 0.001 0.000 0.237 312 S C 1.024 175.651 174.600 0.045 0.000 1.023 312 S CA 0.940 59.161 58.200 0.036 0.000 0.991 312 S CB -0.284 62.934 63.200 0.030 0.000 0.792 312 S HN 0.725 nan 8.310 nan 0.000 0.488 313 R N 1.531 122.065 120.500 0.057 0.000 2.772 313 R HA 0.286 4.626 4.340 0.001 0.000 0.358 313 R C -0.019 176.347 176.300 0.110 0.000 1.143 313 R CA 0.009 56.151 56.100 0.070 0.000 1.153 313 R CB 0.534 30.867 30.300 0.055 0.000 1.329 313 R HN 0.488 nan 8.270 nan 0.000 0.615 314 S N 0.114 115.885 115.700 0.118 0.000 2.607 314 S HA 0.600 5.071 4.470 0.001 0.000 0.272 314 S C 0.120 174.889 174.600 0.281 0.000 1.166 314 S CA -0.571 57.732 58.200 0.171 0.000 1.021 314 S CB 1.148 64.390 63.200 0.071 0.000 1.113 314 S HN 0.448 nan 8.310 nan 0.000 0.531 315 W N -1.954 119.351 121.300 0.009 0.000 3.248 315 W HA 0.701 5.361 4.660 0.001 0.000 0.311 315 W C -1.949 174.577 176.519 0.012 0.000 1.258 315 W CA -0.809 56.539 57.345 0.005 0.000 1.191 315 W CB 0.712 30.168 29.460 -0.006 0.000 1.389 315 W HN 0.598 nan 8.180 nan 0.000 0.561 316 S N 3.126 118.817 115.700 -0.014 0.000 2.526 316 S HA 0.637 5.108 4.470 0.001 0.000 0.293 316 S C -2.406 172.176 174.600 -0.029 0.000 1.092 316 S CA -1.062 56.992 58.200 -0.243 0.000 0.980 316 S CB 2.259 65.383 63.200 -0.127 0.000 1.048 316 S HN 0.237 nan 8.310 nan 0.000 0.483 317 P HA 0.282 nan 4.420 nan 0.000 0.271 317 P C -1.183 176.179 177.300 0.104 0.000 1.216 317 P CA -0.254 62.922 63.100 0.126 0.000 0.776 317 P CB 0.569 32.285 31.700 0.027 0.000 0.881 318 V N 3.421 123.422 119.914 0.145 0.000 2.735 318 V HA 0.164 4.284 4.120 0.001 0.000 0.310 318 V C 0.466 176.609 176.094 0.082 0.000 1.061 318 V CA -1.059 61.295 62.300 0.090 0.000 0.913 318 V CB 2.200 34.073 31.823 0.084 0.000 1.005 318 V HN 0.310 nan 8.190 nan 0.000 0.428 319 V N 3.657 123.605 119.914 0.058 0.000 2.720 319 V HA 0.335 4.455 4.120 0.001 0.000 0.307 319 V C 1.591 177.713 176.094 0.047 0.000 1.071 319 V CA 1.690 64.020 62.300 0.050 0.000 1.199 319 V CB 0.058 31.904 31.823 0.037 0.000 0.900 319 V HN 1.425 nan 8.190 nan 0.000 0.494 320 G N 2.723 111.550 108.800 0.045 0.000 2.205 320 G HA2 -0.303 3.658 3.960 0.001 0.000 0.261 320 G HA3 -0.303 3.658 3.960 0.001 0.000 0.261 320 G C 0.334 175.255 174.900 0.036 0.000 0.980 320 G CA 0.502 45.623 45.100 0.036 0.000 0.632 320 G HN 0.885 nan 8.290 nan 0.000 0.533 321 Q N 0.101 119.931 119.800 0.049 0.000 2.364 321 Q HA 0.528 4.869 4.340 0.001 0.000 0.267 321 Q C 0.407 176.423 176.000 0.026 0.000 0.999 321 Q CA -0.304 55.524 55.803 0.042 0.000 0.886 321 Q CB 0.298 29.086 28.738 0.083 0.000 1.243 321 Q HN 0.442 nan 8.270 nan 0.000 0.415 322 L N 4.036 125.252 121.223 -0.011 0.000 2.331 322 L HA 0.440 4.781 4.340 0.001 0.000 0.278 322 L C -0.845 175.983 176.870 -0.071 0.000 1.106 322 L CA -0.414 54.408 54.840 -0.029 0.000 0.824 322 L CB 1.282 43.315 42.059 -0.045 0.000 1.142 322 L HN 0.439 nan 8.230 nan 0.000 0.443 323 V N 3.243 123.134 119.914 -0.037 0.000 2.924 323 V HA 0.313 4.434 4.120 0.001 0.000 0.300 323 V C -0.883 175.226 176.094 0.024 0.000 1.227 323 V CA -0.735 61.541 62.300 -0.039 0.000 0.954 323 V CB 2.343 34.210 31.823 0.072 0.000 1.055 323 V HN 0.740 nan 8.190 nan 0.000 0.429 324 Q N 2.063 121.873 119.800 0.018 0.000 2.348 324 Q HA 0.620 4.961 4.340 0.001 0.000 0.271 324 Q C -0.871 175.358 176.000 0.382 0.000 1.067 324 Q CA -0.700 55.199 55.803 0.160 0.000 0.839 324 Q CB 3.069 31.869 28.738 0.104 0.000 1.354 324 Q HN 0.732 nan 8.270 nan 0.000 0.447 325 E N 1.593 122.049 120.200 0.428 0.000 2.156 325 E HA 0.208 4.559 4.350 0.001 0.000 0.279 325 E C -0.818 175.979 176.600 0.328 0.000 0.965 325 E CA -0.838 55.809 56.400 0.411 0.000 0.789 325 E CB 0.951 30.848 29.700 0.328 0.000 1.098 325 E HN 0.369 nan 8.360 nan 0.000 0.397 326 R N 3.495 124.001 120.500 0.009 0.000 2.480 326 R HA 0.015 4.356 4.340 0.001 0.000 0.303 326 R C -1.010 175.060 176.300 -0.384 0.000 0.985 326 R CA -0.130 55.571 56.100 -0.665 0.000 1.051 326 R CB 0.104 30.006 30.300 -0.664 0.000 0.935 326 R HN 0.253 nan 8.270 nan 0.000 0.410 327 V N 6.582 126.159 119.914 -0.561 0.000 2.557 327 V HA -0.072 4.048 4.120 0.001 0.000 0.301 327 V C 1.771 177.621 176.094 -0.406 0.000 1.026 327 V CA 0.862 62.845 62.300 -0.529 0.000 1.137 327 V CB 0.046 31.501 31.823 -0.613 0.000 0.917 327 V HN 1.098 nan 8.190 nan 0.000 0.484 328 A N 6.230 128.857 122.820 -0.321 0.000 1.863 328 A HA -0.163 4.157 4.320 0.001 0.000 0.218 328 A C 1.434 178.740 177.584 -0.465 0.000 1.233 328 A CA 1.710 53.395 52.037 -0.586 0.000 0.655 328 A CB -0.182 18.599 19.000 -0.366 0.000 0.839 328 A HN 0.790 nan 8.150 nan 0.000 0.454 329 R N -0.263 120.078 120.500 -0.265 0.000 2.718 329 R HA 0.274 4.614 4.340 0.001 0.000 0.266 329 R C -2.886 173.328 176.300 -0.142 0.000 1.776 329 R CA -1.294 54.697 56.100 -0.182 0.000 1.567 329 R CB 1.086 31.322 30.300 -0.107 0.000 1.336 329 R HN 0.420 nan 8.270 nan 0.000 0.619 330 P HA 0.098 nan 4.420 nan 0.000 0.268 330 P C -0.141 177.098 177.300 -0.102 0.000 1.204 330 P CA -0.099 62.910 63.100 -0.153 0.000 0.768 330 P CB 1.052 32.640 31.700 -0.188 0.000 0.842 331 A N 2.874 125.647 122.820 -0.078 0.000 2.327 331 A HA 0.244 4.564 4.320 0.001 0.000 0.255 331 A C 0.735 178.287 177.584 -0.054 0.000 1.099 331 A CA -0.257 51.748 52.037 -0.054 0.000 0.801 331 A CB -0.281 18.695 19.000 -0.039 0.000 1.062 331 A HN 0.590 nan 8.150 nan 0.000 0.496 332 S N -0.802 114.874 115.700 -0.040 0.000 2.549 332 S HA 0.298 4.769 4.470 0.001 0.000 0.286 332 S C 0.716 175.296 174.600 -0.033 0.000 1.314 332 S CA 0.315 58.494 58.200 -0.036 0.000 1.062 332 S CB -0.711 62.473 63.200 -0.026 0.000 0.865 332 S HN 1.102 nan 8.310 nan 0.000 0.498 333 L N 1.845 123.048 121.223 -0.033 0.000 4.040 333 L HA -0.203 4.137 4.340 0.001 0.000 0.410 333 L C 0.120 176.969 176.870 -0.036 0.000 1.187 333 L CA 0.440 55.262 54.840 -0.030 0.000 0.956 333 L CB -1.141 40.905 42.059 -0.022 0.000 2.022 333 L HN 0.588 nan 8.230 nan 0.000 0.897 334 R N -0.055 120.417 120.500 -0.048 0.000 2.778 334 R HA 0.640 4.981 4.340 0.001 0.000 0.277 334 R C -2.189 174.067 176.300 -0.073 0.000 0.977 334 R CA -1.974 54.091 56.100 -0.058 0.000 0.950 334 R CB 0.795 31.055 30.300 -0.065 0.000 1.165 334 R HN -0.211 nan 8.270 nan 0.000 0.474 335 P HA 0.300 nan 4.420 nan 0.000 0.271 335 P C 0.035 177.255 177.300 -0.133 0.000 1.218 335 P CA -0.287 62.777 63.100 -0.061 0.000 0.780 335 P CB 0.740 32.419 31.700 -0.035 0.000 0.901 336 R N 0.515 120.933 120.500 -0.136 0.000 2.317 336 R HA 0.142 4.483 4.340 0.001 0.000 0.208 336 R C -0.468 175.409 176.300 -0.705 0.000 0.914 336 R CA 0.238 56.106 56.100 -0.387 0.000 1.060 336 R CB 0.091 30.163 30.300 -0.379 0.000 1.015 336 R HN 0.536 nan 8.270 nan 0.000 0.498 337 W N -0.317 120.866 121.300 -0.194 0.000 2.915 337 W HA 0.349 5.010 4.660 0.001 0.000 0.337 337 W C 0.271 176.648 176.519 -0.236 0.000 1.102 337 W CA -0.845 56.391 57.345 -0.182 0.000 1.224 337 W CB 0.822 30.226 29.460 -0.094 0.000 1.416 337 W HN -0.060 nan 8.180 nan 0.000 0.503 338 H N 1.285 120.423 119.070 0.113 0.000 2.603 338 H HA 0.329 4.886 4.556 0.001 0.000 0.370 338 H C 0.585 175.933 175.328 0.035 0.000 1.225 338 H CA -0.026 56.000 56.048 -0.037 0.000 1.410 338 H CB 0.570 30.226 29.762 -0.177 0.000 1.495 338 H HN 0.517 nan 8.280 nan 0.000 0.602 339 K N 2.358 122.854 120.400 0.160 0.000 2.527 339 K HA 0.113 4.434 4.320 0.001 0.000 0.278 339 K C -2.512 174.154 176.600 0.111 0.000 0.981 339 K CA -1.131 55.222 56.287 0.110 0.000 1.009 339 K CB -1.280 31.279 32.500 0.098 0.000 0.895 339 K HN 0.391 nan 8.250 nan 0.000 0.493 340 P HA 0.159 nan 4.420 nan 0.000 0.266 340 P C -0.525 176.810 177.300 0.060 0.000 1.195 340 P CA -0.109 63.020 63.100 0.047 0.000 0.768 340 P CB 1.007 32.709 31.700 0.004 0.000 0.838 341 S N 0.429 116.167 115.700 0.064 0.000 2.841 341 S HA 0.733 5.204 4.470 0.001 0.000 0.318 341 S C -0.629 174.002 174.600 0.052 0.000 1.127 341 S CA -0.573 57.667 58.200 0.067 0.000 0.883 341 S CB 1.413 64.668 63.200 0.092 0.000 1.271 341 S HN 0.405 nan 8.310 nan 0.000 0.567 342 T N 1.110 115.697 114.554 0.055 0.000 2.861 342 T HA 0.497 4.848 4.350 0.001 0.000 0.287 342 T C -0.592 174.146 174.700 0.062 0.000 1.003 342 T CA -0.588 61.542 62.100 0.050 0.000 0.977 342 T CB 1.351 70.241 68.868 0.038 0.000 0.996 342 T HN 0.327 nan 8.240 nan 0.000 0.448 343 V N 4.279 124.235 119.914 0.071 0.000 2.529 343 V HA 0.116 4.237 4.120 0.001 0.000 0.292 343 V C 0.959 177.088 176.094 0.057 0.000 1.028 343 V CA 0.267 62.614 62.300 0.078 0.000 1.074 343 V CB -0.156 31.724 31.823 0.095 0.000 0.958 343 V HN 0.796 nan 8.190 nan 0.000 0.481 344 L N 3.057 124.311 121.223 0.052 0.000 2.379 344 L HA 0.333 4.674 4.340 0.001 0.000 0.190 344 L C 1.101 177.993 176.870 0.037 0.000 1.111 344 L CA 0.478 55.342 54.840 0.040 0.000 0.820 344 L CB -0.083 41.997 42.059 0.036 0.000 1.046 344 L HN 0.414 nan 8.230 nan 0.000 0.485 345 K N 0.909 121.332 120.400 0.038 0.000 2.156 345 K HA 0.462 4.782 4.320 0.001 0.000 0.254 345 K C -1.095 175.526 176.600 0.035 0.000 0.950 345 K CA -0.431 55.876 56.287 0.033 0.000 0.849 345 K CB 2.773 35.291 32.500 0.030 0.000 1.100 345 K HN -0.216 nan 8.250 nan 0.000 0.434 346 V N 5.828 125.759 119.914 0.027 0.000 2.235 346 V HA 0.111 4.232 4.120 0.001 0.000 0.266 346 V C 1.480 177.582 176.094 0.013 0.000 1.055 346 V CA -0.204 62.108 62.300 0.020 0.000 0.844 346 V CB 0.355 32.188 31.823 0.017 0.000 1.097 346 V HN 0.716 nan 8.190 nan 0.000 0.453 347 L N 2.306 123.539 121.223 0.017 0.000 2.079 347 L HA -0.104 4.236 4.340 0.001 0.000 0.210 347 L C 0.971 177.848 176.870 0.012 0.000 1.081 347 L CA 1.506 56.357 54.840 0.018 0.000 0.752 347 L CB -0.354 41.721 42.059 0.027 0.000 0.896 347 L HN 0.896 nan 8.230 nan 0.000 0.433 348 N N -4.216 114.485 118.700 0.002 0.000 3.179 348 N HA 0.224 4.965 4.740 0.001 0.000 0.250 348 N C -2.606 172.886 175.510 -0.030 0.000 1.507 348 N CA -1.399 51.647 53.050 -0.007 0.000 0.883 348 N CB 0.286 38.774 38.487 0.002 0.000 1.435 348 N HN -0.414 nan 8.380 nan 0.000 0.532 349 P HA 0.041 nan 4.420 nan 0.000 0.236 349 P C 0.137 177.362 177.300 -0.126 0.000 1.172 349 P CA 0.975 64.028 63.100 -0.077 0.000 0.759 349 P CB 0.172 31.833 31.700 -0.065 0.000 0.843 350 R N -2.532 117.912 120.500 -0.094 0.000 2.544 350 R HA 0.202 4.542 4.340 0.001 0.000 0.303 350 R C -0.120 176.125 176.300 -0.092 0.000 0.939 350 R CA 0.308 56.341 56.100 -0.113 0.000 1.102 350 R CB 0.881 31.139 30.300 -0.071 0.000 1.440 350 R HN 0.103 nan 8.270 nan 0.000 0.532 351 T N 0.422 114.944 114.554 -0.054 0.000 2.863 351 T HA 0.569 4.920 4.350 0.001 0.000 0.285 351 T C -0.745 173.953 174.700 -0.003 0.000 1.009 351 T CA -0.531 61.553 62.100 -0.027 0.000 0.989 351 T CB 2.902 71.770 68.868 0.000 0.000 1.004 351 T HN -0.261 nan 8.240 nan 0.000 0.455 352 V N 2.071 121.997 119.914 0.019 0.000 2.888 352 V HA 0.490 4.611 4.120 0.001 0.000 0.309 352 V C -0.805 175.322 176.094 0.055 0.000 1.114 352 V CA -0.824 61.502 62.300 0.043 0.000 0.940 352 V CB 2.548 34.411 31.823 0.068 0.000 1.021 352 V HN 0.789 nan 8.190 nan 0.000 0.426 353 V N 5.705 125.652 119.914 0.054 0.000 2.370 353 V HA 0.555 4.675 4.120 0.001 0.000 0.279 353 V C -0.113 176.018 176.094 0.061 0.000 1.029 353 V CA -0.316 62.017 62.300 0.054 0.000 0.870 353 V CB 1.179 33.029 31.823 0.045 0.000 0.984 353 V HN 0.751 nan 8.190 nan 0.000 0.451 354 I N 2.705 123.316 120.570 0.068 0.000 2.863 354 I HA 0.648 4.818 4.170 0.001 0.000 0.311 354 I C -0.478 175.672 176.117 0.054 0.000 1.026 354 I CA -1.202 60.141 61.300 0.072 0.000 1.077 354 I CB 1.602 39.660 38.000 0.096 0.000 1.262 354 I HN 0.402 nan 8.210 nan 0.000 0.461 355 L N 3.340 124.593 121.223 0.050 0.000 2.433 355 L HA 0.257 4.598 4.340 0.001 0.000 0.284 355 L C -0.097 176.796 176.870 0.037 0.000 1.120 355 L CA 0.465 55.326 54.840 0.035 0.000 0.879 355 L CB -0.782 41.296 42.059 0.031 0.000 1.232 355 L HN 0.764 nan 8.230 nan 0.000 0.454 356 D N 1.832 122.241 120.400 0.015 0.000 2.525 356 D HA -0.123 4.518 4.640 0.001 0.000 0.235 356 D C 1.267 177.533 176.300 -0.057 0.000 1.137 356 D CA 0.564 54.557 54.000 -0.013 0.000 0.868 356 D CB 0.696 41.456 40.800 -0.067 0.000 1.180 356 D HN 0.733 nan 8.370 nan 0.000 0.465 357 H N 1.869 120.888 119.070 -0.086 0.000 2.568 357 H HA 0.003 4.559 4.556 0.001 0.000 0.285 357 H C 0.893 176.185 175.328 -0.061 0.000 1.048 357 H CA 0.645 56.644 56.048 -0.081 0.000 1.197 357 H CB 0.007 29.674 29.762 -0.157 0.000 1.343 357 H HN 0.345 nan 8.280 nan 0.000 0.614 358 L N -0.350 120.600 121.223 -0.454 0.000 3.039 358 L HA 0.459 4.799 4.340 0.001 0.000 0.269 358 L C 0.889 177.662 176.870 -0.162 0.000 1.169 358 L CA 0.487 55.108 54.840 -0.365 0.000 0.986 358 L CB 1.187 42.923 42.059 -0.538 0.000 1.377 358 L HN 0.422 nan 8.230 nan 0.000 0.575 359 G N -0.191 108.542 108.800 -0.111 0.000 2.883 359 G HA2 0.474 4.435 3.960 0.001 0.000 0.285 359 G HA3 0.474 4.435 3.960 0.001 0.000 0.285 359 G C -0.975 173.885 174.900 -0.066 0.000 1.526 359 G CA -0.371 44.667 45.100 -0.103 0.000 1.062 359 G HN 0.077 nan 8.290 nan 0.000 0.550 360 N N 0.428 119.084 118.700 -0.073 0.000 2.879 360 N HA 0.391 5.132 4.740 0.001 0.000 0.329 360 N C -0.571 174.931 175.510 -0.014 0.000 1.337 360 N CA -0.992 52.035 53.050 -0.039 0.000 0.844 360 N CB 0.590 39.052 38.487 -0.042 0.000 1.236 360 N HN 0.330 nan 8.380 nan 0.000 0.601 361 N N 0.315 119.015 118.700 -0.001 0.000 2.420 361 N HA 0.264 5.005 4.740 0.001 0.000 0.249 361 N C -0.922 174.601 175.510 0.021 0.000 1.033 361 N CA -0.312 52.747 53.050 0.016 0.000 0.944 361 N CB 0.725 39.224 38.487 0.020 0.000 1.113 361 N HN 0.111 nan 8.380 nan 0.000 0.502 362 R N 1.273 121.793 120.500 0.033 0.000 2.338 362 R HA 0.356 4.696 4.340 0.001 0.000 0.317 362 R C -0.597 175.737 176.300 0.057 0.000 0.968 362 R CA -0.483 55.645 56.100 0.046 0.000 0.849 362 R CB 1.098 31.434 30.300 0.061 0.000 1.128 362 R HN 0.461 nan 8.270 nan 0.000 0.448 363 T N 2.998 117.586 114.554 0.057 0.000 2.723 363 T HA 0.294 4.645 4.350 0.001 0.000 0.297 363 T C 0.466 175.205 174.700 0.064 0.000 0.925 363 T CA -0.588 61.548 62.100 0.060 0.000 1.030 363 T CB 0.505 69.411 68.868 0.063 0.000 0.905 363 T HN 0.411 nan 8.240 nan 0.000 0.502 364 V N 0.648 120.602 119.914 0.066 0.000 2.914 364 V HA 0.832 4.953 4.120 0.001 0.000 0.314 364 V C 0.200 176.307 176.094 0.021 0.000 1.084 364 V CA -1.122 61.220 62.300 0.070 0.000 0.963 364 V CB 1.953 33.847 31.823 0.118 0.000 1.025 364 V HN 0.704 nan 8.190 nan 0.000 0.432 365 S N 1.598 117.271 115.700 -0.045 0.000 2.592 365 S HA 0.368 4.838 4.470 0.001 0.000 0.271 365 S C 1.108 175.679 174.600 -0.047 0.000 1.326 365 S CA -0.038 58.050 58.200 -0.187 0.000 1.024 365 S CB 0.644 63.452 63.200 -0.653 0.000 0.921 365 S HN 1.125 nan 8.310 nan 0.000 0.527 366 I N 0.568 121.102 120.570 -0.061 0.000 2.830 366 I HA 0.044 4.215 4.170 0.001 0.000 0.263 366 I C 1.254 177.464 176.117 0.155 0.000 1.230 366 I CA 0.946 62.263 61.300 0.028 0.000 1.480 366 I CB -0.337 37.536 38.000 -0.210 0.000 1.095 366 I HN 0.413 nan 8.210 nan 0.000 0.455 367 D N 2.296 122.764 120.400 0.114 0.000 2.158 367 D HA -0.159 4.482 4.640 0.001 0.000 0.197 367 D C 1.261 177.723 176.300 0.269 0.000 0.995 367 D CA 1.213 55.346 54.000 0.221 0.000 0.846 367 D CB -0.369 40.613 40.800 0.303 0.000 0.941 367 D HN 0.493 nan 8.370 nan 0.000 0.456 368 N N 0.167 119.009 118.700 0.236 0.000 2.322 368 N HA 0.102 4.843 4.740 0.001 0.000 0.216 368 N C -0.124 175.604 175.510 0.365 0.000 1.144 368 N CA 0.125 53.317 53.050 0.236 0.000 0.830 368 N CB 0.801 39.404 38.487 0.192 0.000 1.034 368 N HN 0.242 nan 8.380 nan 0.000 0.484 369 L N 0.551 122.051 121.223 0.462 0.000 2.370 369 L HA 0.463 4.803 4.340 0.001 0.000 0.266 369 L C -0.163 177.000 176.870 0.488 0.000 1.002 369 L CA -0.966 54.193 54.840 0.531 0.000 0.818 369 L CB 2.302 44.660 42.059 0.499 0.000 1.325 369 L HN -0.015 nan 8.230 nan 0.000 0.418 370 K N 1.595 122.040 120.400 0.074 0.000 2.371 370 K HA 0.670 4.990 4.320 0.001 0.000 0.251 370 K C -2.933 173.270 176.600 -0.662 0.000 0.934 370 K CA -1.937 54.096 56.287 -0.423 0.000 0.798 370 K CB 2.235 34.186 32.500 -0.914 0.000 1.204 370 K HN 0.104 nan 8.250 nan 0.000 0.427 371 P HA 0.034 nan 4.420 nan 0.000 0.276 371 P C -0.636 176.316 177.300 -0.581 0.000 1.230 371 P CA -0.160 62.394 63.100 -0.911 0.000 0.776 371 P CB 0.791 31.829 31.700 -1.103 0.000 0.888 372 T N 2.420 116.731 114.554 -0.405 0.000 2.834 372 T HA 0.125 4.476 4.350 0.001 0.000 0.298 372 T C 0.636 175.113 174.700 -0.372 0.000 0.966 372 T CA 0.268 62.164 62.100 -0.340 0.000 1.141 372 T CB -0.196 68.544 68.868 -0.214 0.000 0.905 372 T HN 0.265 nan 8.240 nan 0.000 0.535 373 S N 4.554 119.963 115.700 -0.484 0.000 2.564 373 S HA 0.240 4.710 4.470 0.001 0.000 0.278 373 S C 0.145 174.265 174.600 -0.800 0.000 1.333 373 S CA -0.538 57.200 58.200 -0.770 0.000 1.048 373 S CB 0.034 62.573 63.200 -1.102 0.000 0.900 373 S HN 0.914 nan 8.310 nan 0.000 0.505 374 H N 0.000 119.011 119.070 -0.098 0.000 2.539 374 H HA 0.000 4.557 4.556 0.001 0.000 0.296 374 H CA 0.000 56.003 56.048 -0.075 0.000 1.023 374 H CB 0.000 29.719 29.762 -0.072 0.000 1.292 374 H HN 0.000 nan 8.280 nan 0.000 0.496