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 3gfy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLTTLIYRSQ VHPDRPPVDL DALVHRASSK NLPLGITGIL LFNGLQFFQV DATA SEQUENCE LEGTEEALES LFSEIQSDPR HRDVVELMRD YSAYRRFHGT GMRILDLRLF DATA SEQUENCE ETDGALEEIL RFSTXXXXXP VNDRMFRLLS AFIADGGRYC LPEPLQPSRW DATA SEQUENCE MMMPAXXTAA PQHLPGQPCQ FALQAIVEPA KKRVSSFEAL IRSPTGGSPV DATA SEQUENCE EMFAAIAAED RYRFDLESKA YAFALAGQLP LGKHQLAINL LPGSLYHHPD DATA SEQUENCE AVGWLMDSLL AAGLRPDQVL IEXXXXXXXX XXDQFRKVLK ALRVAGMKLA DATA SEQUENCE IDXXXXXXXX XXXLTRFQPD KIKVDAELVR DIHISGTKQA IVASVVRCCE DATA SEQUENCE DLGITVVAEG VETLEEWCWL QSVGIRLFQG FLFSRPCLNG IGEICWPVAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.376 176.300 0.127 0.000 1.140 1 M CA 0.000 55.354 55.300 0.089 0.000 0.988 1 M CB 0.000 32.669 32.600 0.115 0.000 1.302 2 L N 3.349 124.637 121.223 0.108 0.000 2.456 2 L HA 0.627 5.045 4.340 0.130 0.000 0.272 2 L C -0.053 176.880 176.870 0.105 0.000 1.189 2 L CA 1.484 56.377 54.840 0.088 0.000 0.846 2 L CB 0.842 42.942 42.059 0.069 0.000 1.111 2 L HN 0.755 nan 8.230 nan 0.000 0.475 3 T N 2.386 116.960 114.554 0.033 0.000 2.900 3 T HA 0.491 4.919 4.350 0.130 0.000 0.303 3 T C -0.829 173.832 174.700 -0.064 0.000 1.142 3 T CA -0.581 61.496 62.100 -0.038 0.000 1.007 3 T CB 1.744 70.549 68.868 -0.106 0.000 1.156 3 T HN 0.567 nan 8.240 nan 0.000 0.490 4 T N 2.366 116.860 114.554 -0.099 0.000 2.812 4 T HA 0.636 5.064 4.350 0.130 0.000 0.282 4 T C -0.998 173.614 174.700 -0.147 0.000 0.990 4 T CA -0.510 61.530 62.100 -0.099 0.000 0.960 4 T CB 0.845 69.662 68.868 -0.085 0.000 0.948 4 T HN 0.428 nan 8.240 nan 0.000 0.438 5 L N 5.043 126.167 121.223 -0.164 0.000 2.333 5 L HA 0.708 5.126 4.340 0.130 0.000 0.280 5 L C -1.356 175.362 176.870 -0.252 0.000 1.004 5 L CA -0.749 53.946 54.840 -0.242 0.000 0.820 5 L CB 0.713 42.586 42.059 -0.310 0.000 1.247 5 L HN 0.635 nan 8.230 nan 0.000 0.416 6 I N 5.241 125.641 120.570 -0.283 0.000 2.509 6 I HA 0.450 4.698 4.170 0.130 0.000 0.293 6 I C -1.212 174.698 176.117 -0.344 0.000 1.020 6 I CA -0.749 60.318 61.300 -0.389 0.000 1.088 6 I CB 1.789 39.579 38.000 -0.351 0.000 1.267 6 I HN 0.565 nan 8.210 nan 0.000 0.430 7 Y N 4.356 124.351 120.300 -0.509 0.000 2.588 7 Y HA 0.765 5.392 4.550 0.129 0.000 0.343 7 Y C -1.158 174.537 175.900 -0.342 0.000 1.065 7 Y CA -1.506 56.395 58.100 -0.330 0.000 1.038 7 Y CB 1.191 39.568 38.460 -0.140 0.000 1.297 7 Y HN 0.616 nan 8.280 nan 0.000 0.467 8 R N 1.539 122.094 120.500 0.092 0.000 2.711 8 R HA 0.914 5.332 4.340 0.130 0.000 0.284 8 R C -1.075 175.468 176.300 0.405 0.000 0.968 8 R CA -0.427 55.790 56.100 0.196 0.000 0.924 8 R CB 2.041 32.543 30.300 0.336 0.000 1.162 8 R HN 1.026 nan 8.270 nan 0.000 0.465 9 S N 1.345 117.317 115.700 0.452 0.000 2.720 9 S HA 0.461 5.009 4.470 0.130 0.000 0.287 9 S C -0.936 173.907 174.600 0.405 0.000 1.168 9 S CA -1.038 57.406 58.200 0.406 0.000 0.832 9 S CB 1.977 65.399 63.200 0.369 0.000 1.166 9 S HN 0.740 nan 8.310 nan 0.000 0.493 10 Q N 0.473 120.460 119.800 0.312 0.000 2.397 10 Q HA 0.637 5.055 4.340 0.130 0.000 0.275 10 Q C -0.392 175.731 176.000 0.205 0.000 1.090 10 Q CA -1.136 54.796 55.803 0.214 0.000 0.809 10 Q CB 2.324 31.147 28.738 0.141 0.000 1.362 10 Q HN 0.793 nan 8.270 nan 0.000 0.431 11 V N -1.725 118.269 119.914 0.134 0.000 3.385 11 V HA 0.262 4.460 4.120 0.130 0.000 0.301 11 V C -0.263 175.853 176.094 0.037 0.000 1.082 11 V CA -0.399 62.014 62.300 0.187 0.000 1.085 11 V CB 0.719 32.654 31.823 0.188 0.000 1.152 11 V HN 0.720 nan 8.190 nan 0.000 0.465 12 H N 3.032 122.221 119.070 0.198 0.000 2.690 12 H HA 0.323 4.957 4.556 0.130 0.000 0.289 12 H C -1.730 173.666 175.328 0.115 0.000 1.089 12 H CA -1.377 54.757 56.048 0.142 0.000 1.299 12 H CB 1.458 31.298 29.762 0.131 0.000 1.405 12 H HN 0.626 nan 8.280 nan 0.000 0.463 13 P HA -0.083 nan 4.420 nan 0.000 0.229 13 P C 0.393 177.758 177.300 0.108 0.000 1.160 13 P CA 0.730 63.900 63.100 0.117 0.000 0.777 13 P CB 0.391 32.136 31.700 0.073 0.000 0.814 14 D N -1.461 119.011 120.400 0.120 0.000 2.368 14 D HA 0.083 4.801 4.640 0.130 0.000 0.218 14 D C 0.612 176.962 176.300 0.083 0.000 1.112 14 D CA -0.132 53.921 54.000 0.088 0.000 0.834 14 D CB -0.063 40.782 40.800 0.074 0.000 0.953 14 D HN 0.109 nan 8.370 nan 0.000 0.505 15 R N 0.386 120.951 120.500 0.108 0.000 2.832 15 R HA 0.553 4.971 4.340 0.130 0.000 0.271 15 R C -2.588 173.763 176.300 0.085 0.000 0.996 15 R CA -1.935 54.213 56.100 0.081 0.000 0.977 15 R CB 0.840 31.183 30.300 0.070 0.000 1.168 15 R HN -0.074 nan 8.270 nan 0.000 0.482 16 P HA 0.034 nan 4.420 nan 0.000 0.265 16 P C -2.295 175.053 177.300 0.080 0.000 1.193 16 P CA -0.750 62.387 63.100 0.061 0.000 0.765 16 P CB -0.086 31.639 31.700 0.041 0.000 0.823 17 P HA -0.014 nan 4.420 nan 0.000 0.264 17 P C -0.516 176.832 177.300 0.080 0.000 1.193 17 P CA 0.134 63.296 63.100 0.103 0.000 0.763 17 P CB 0.277 32.035 31.700 0.097 0.000 0.810 18 V N 3.175 123.145 119.914 0.094 0.000 2.585 18 V HA -0.034 4.163 4.120 0.130 0.000 0.296 18 V C 1.081 177.186 176.094 0.018 0.000 1.035 18 V CA 0.037 62.373 62.300 0.059 0.000 1.084 18 V CB 0.075 31.948 31.823 0.083 0.000 0.953 18 V HN 0.560 nan 8.190 nan 0.000 0.483 19 D N 4.173 124.577 120.400 0.006 0.000 2.367 19 D HA 0.091 4.809 4.640 0.130 0.000 0.255 19 D C 0.853 177.137 176.300 -0.027 0.000 1.300 19 D CA 0.290 54.287 54.000 -0.005 0.000 0.959 19 D CB 0.597 41.397 40.800 0.001 0.000 1.064 19 D HN 0.502 nan 8.370 nan 0.000 0.509 20 L N 2.578 123.774 121.223 -0.045 0.000 2.240 20 L HA -0.049 4.369 4.340 0.130 0.000 0.211 20 L C 1.689 178.536 176.870 -0.038 0.000 1.106 20 L CA 0.359 55.155 54.840 -0.073 0.000 0.793 20 L CB -0.020 41.958 42.059 -0.134 0.000 0.927 20 L HN 0.270 nan 8.230 nan 0.000 0.446 21 D N 0.765 121.157 120.400 -0.013 0.000 2.097 21 D HA -0.163 4.555 4.640 0.130 0.000 0.195 21 D C 2.258 178.578 176.300 0.033 0.000 0.989 21 D CA 1.584 55.589 54.000 0.008 0.000 0.827 21 D CB 0.028 40.830 40.800 0.003 0.000 0.966 21 D HN 0.295 nan 8.370 nan 0.000 0.456 22 A N 0.946 123.781 122.820 0.025 0.000 1.877 22 A HA -0.116 4.282 4.320 0.130 0.000 0.216 22 A C 2.299 179.898 177.584 0.025 0.000 1.186 22 A CA 0.989 53.056 52.037 0.049 0.000 0.620 22 A CB -0.864 18.150 19.000 0.024 0.000 0.822 22 A HN 0.261 nan 8.150 nan 0.000 0.443 23 L N -0.270 120.938 121.223 -0.026 0.000 1.994 23 L HA -0.152 4.266 4.340 0.130 0.000 0.208 23 L C 2.426 179.252 176.870 -0.073 0.000 1.071 23 L CA 1.835 56.631 54.840 -0.073 0.000 0.745 23 L CB -0.267 41.719 42.059 -0.122 0.000 0.892 23 L HN 0.200 nan 8.230 nan 0.000 0.431 24 V N -0.430 119.454 119.914 -0.050 0.000 2.343 24 V HA -0.329 3.869 4.120 0.130 0.000 0.247 24 V C 2.493 178.578 176.094 -0.014 0.000 1.051 24 V CA 2.098 64.373 62.300 -0.041 0.000 1.036 24 V CB -0.941 30.868 31.823 -0.024 0.000 0.654 24 V HN 0.711 nan 8.190 nan 0.000 0.451 25 H N 0.631 119.672 119.070 -0.049 0.000 2.353 25 H HA -0.162 4.472 4.556 0.130 0.000 0.300 25 H C 2.403 177.708 175.328 -0.039 0.000 1.090 25 H CA 2.252 58.276 56.048 -0.040 0.000 1.327 25 H CB -0.186 29.556 29.762 -0.033 0.000 1.383 25 H HN 0.255 nan 8.280 nan 0.000 0.508 26 R N -0.135 120.171 120.500 -0.325 0.000 2.075 26 R HA -0.066 4.352 4.340 0.130 0.000 0.232 26 R C 2.403 178.570 176.300 -0.221 0.000 1.126 26 R CA 1.112 57.017 56.100 -0.325 0.000 0.963 26 R CB -0.386 29.819 30.300 -0.158 0.000 0.858 26 R HN 0.446 nan 8.270 nan 0.000 0.435 27 A N -0.246 122.483 122.820 -0.152 0.000 1.877 27 A HA -0.165 4.233 4.320 0.130 0.000 0.216 27 A C 2.175 179.696 177.584 -0.106 0.000 1.186 27 A CA 1.902 53.871 52.037 -0.113 0.000 0.620 27 A CB -0.831 18.110 19.000 -0.097 0.000 0.822 27 A HN 0.410 nan 8.150 nan 0.000 0.443 28 S N -0.811 114.825 115.700 -0.106 0.000 2.368 28 S HA -0.143 4.405 4.470 0.130 0.000 0.225 28 S C 2.342 176.889 174.600 -0.088 0.000 1.030 28 S CA 1.807 59.960 58.200 -0.077 0.000 0.999 28 S CB -0.367 62.807 63.200 -0.043 0.000 0.844 28 S HN 0.649 nan 8.310 nan 0.000 0.459 29 S N 0.129 115.737 115.700 -0.154 0.000 2.402 29 S HA 0.012 4.560 4.470 0.130 0.000 0.229 29 S C 1.875 176.413 174.600 -0.102 0.000 1.021 29 S CA 1.273 59.388 58.200 -0.142 0.000 0.974 29 S CB -0.235 62.813 63.200 -0.253 0.000 0.800 29 S HN 0.553 nan 8.310 nan 0.000 0.484 30 K N 0.211 120.547 120.400 -0.106 0.000 2.137 30 K HA 0.066 4.463 4.320 0.130 0.000 0.202 30 K C 1.724 178.291 176.600 -0.054 0.000 1.052 30 K CA 0.834 57.077 56.287 -0.075 0.000 0.961 30 K CB -0.097 32.356 32.500 -0.077 0.000 0.741 30 K HN 0.240 nan 8.250 nan 0.000 0.452 31 N N 1.279 119.946 118.700 -0.054 0.000 2.106 31 N HA -0.158 4.660 4.740 0.130 0.000 0.188 31 N C 1.680 177.170 175.510 -0.032 0.000 1.029 31 N CA 0.816 53.843 53.050 -0.039 0.000 0.848 31 N CB -0.315 38.149 38.487 -0.039 0.000 1.007 31 N HN 0.063 nan 8.380 nan 0.000 0.423 32 L N 1.376 122.578 121.223 -0.035 0.000 2.046 32 L HA -0.057 4.360 4.340 0.130 0.000 0.208 32 L C -0.904 175.949 176.870 -0.028 0.000 1.077 32 L CA 1.762 56.582 54.840 -0.033 0.000 0.747 32 L CB -1.374 40.667 42.059 -0.029 0.000 0.896 32 L HN 0.158 nan 8.230 nan 0.000 0.432 33 P HA -0.110 nan 4.420 nan 0.000 0.220 33 P C 1.581 178.872 177.300 -0.015 0.000 1.148 33 P CA 1.218 64.308 63.100 -0.018 0.000 0.803 33 P CB 0.010 31.700 31.700 -0.018 0.000 0.782 34 L N -2.044 119.169 121.223 -0.017 0.000 2.591 34 L HA 0.264 4.681 4.340 0.130 0.000 0.228 34 L C 1.243 178.108 176.870 -0.009 0.000 1.133 34 L CA 0.447 55.280 54.840 -0.012 0.000 0.880 34 L CB -1.023 41.029 42.059 -0.013 0.000 1.033 34 L HN 0.091 nan 8.230 nan 0.000 0.450 35 G N 1.289 110.080 108.800 -0.015 0.000 2.198 35 G HA2 -0.284 3.753 3.960 0.130 0.000 0.257 35 G HA3 -0.284 3.753 3.960 0.130 0.000 0.257 35 G C 0.031 174.923 174.900 -0.014 0.000 1.042 35 G CA -0.041 45.049 45.100 -0.016 0.000 0.791 35 G HN 0.337 nan 8.290 nan 0.000 0.502 36 I N 1.396 121.956 120.570 -0.016 0.000 2.377 36 I HA 0.600 4.847 4.170 0.130 0.000 0.293 36 I C 0.786 176.898 176.117 -0.009 0.000 0.987 36 I CA -0.156 61.139 61.300 -0.009 0.000 1.185 36 I CB 1.874 39.868 38.000 -0.010 0.000 1.341 36 I HN 0.296 nan 8.210 nan 0.000 0.455 37 T N 1.621 116.182 114.554 0.011 0.000 2.864 37 T HA 0.980 5.408 4.350 0.130 0.000 0.289 37 T C -0.141 174.583 174.700 0.041 0.000 1.082 37 T CA -0.577 61.546 62.100 0.039 0.000 1.009 37 T CB 2.287 71.207 68.868 0.087 0.000 1.234 37 T HN 1.045 nan 8.240 nan 0.000 0.526 38 G N -0.057 108.757 108.800 0.024 0.000 2.340 38 G HA2 0.403 4.441 3.960 0.130 0.000 0.282 38 G HA3 0.403 4.441 3.960 0.130 0.000 0.282 38 G C -1.657 173.013 174.900 -0.384 0.000 1.312 38 G CA -0.397 44.607 45.100 -0.160 0.000 0.942 38 G HN 1.534 nan 8.290 nan 0.000 0.495 39 I N -2.466 117.798 120.570 -0.510 0.000 3.074 39 I HA 0.925 5.173 4.170 0.130 0.000 0.310 39 I C -1.165 174.832 176.117 -0.200 0.000 1.153 39 I CA -1.468 59.613 61.300 -0.365 0.000 0.993 39 I CB 2.308 40.023 38.000 -0.475 0.000 1.237 39 I HN 0.742 nan 8.210 nan 0.000 0.443 40 L N 4.135 125.311 121.223 -0.079 0.000 2.356 40 L HA 0.638 5.056 4.340 0.130 0.000 0.277 40 L C -1.392 175.557 176.870 0.132 0.000 0.996 40 L CA -0.376 54.462 54.840 -0.003 0.000 0.822 40 L CB 1.698 43.758 42.059 0.002 0.000 1.256 40 L HN 0.584 nan 8.230 nan 0.000 0.413 41 L N 4.895 126.233 121.223 0.192 0.000 2.317 41 L HA 0.506 4.924 4.340 0.130 0.000 0.281 41 L C -1.179 175.970 176.870 0.465 0.000 1.024 41 L CA -0.535 54.481 54.840 0.293 0.000 0.810 41 L CB 1.663 43.871 42.059 0.249 0.000 1.240 41 L HN 0.538 nan 8.230 nan 0.000 0.427 42 F N 3.264 123.381 119.950 0.279 0.000 2.518 42 F HA 0.353 4.958 4.527 0.130 0.000 0.323 42 F C 0.279 176.193 175.800 0.190 0.000 1.129 42 F CA -1.073 57.059 58.000 0.221 0.000 0.920 42 F CB 1.379 40.498 39.000 0.198 0.000 1.160 42 F HN 0.531 nan 8.300 nan 0.000 0.440 43 N N 2.606 121.064 118.700 -0.402 0.000 2.200 43 N HA 0.325 5.143 4.740 0.130 0.000 0.224 43 N C 0.967 176.080 175.510 -0.662 0.000 1.179 43 N CA 0.376 53.189 53.050 -0.395 0.000 0.877 43 N CB 0.890 39.227 38.487 -0.249 0.000 1.072 43 N HN 0.924 nan 8.380 nan 0.000 0.519 44 G N -0.051 107.869 108.800 -1.467 0.000 2.345 44 G HA2 -0.259 3.779 3.960 0.130 0.000 0.218 44 G HA3 -0.259 3.779 3.960 0.130 0.000 0.218 44 G C 0.346 174.907 174.900 -0.566 0.000 1.058 44 G CA 0.415 44.923 45.100 -0.988 0.000 0.632 44 G HN 0.234 nan 8.290 nan 0.000 0.508 45 L N 0.597 121.563 121.223 -0.429 0.000 2.717 45 L HA 0.524 4.942 4.340 0.130 0.000 0.239 45 L C 0.970 177.774 176.870 -0.111 0.000 1.086 45 L CA 0.827 55.566 54.840 -0.169 0.000 0.897 45 L CB 0.561 42.556 42.059 -0.106 0.000 1.214 45 L HN 0.483 nan 8.230 nan 0.000 0.508 46 Q N -1.393 118.326 119.800 -0.134 0.000 2.397 46 Q HA 0.510 4.927 4.340 0.130 0.000 0.275 46 Q C -1.527 174.540 176.000 0.111 0.000 1.090 46 Q CA -0.584 55.277 55.803 0.096 0.000 0.809 46 Q CB 2.677 31.640 28.738 0.375 0.000 1.362 46 Q HN -0.143 nan 8.270 nan 0.000 0.431 47 F N 1.052 121.260 119.950 0.429 0.000 2.432 47 F HA 0.601 5.206 4.527 0.130 0.000 0.329 47 F C -0.545 175.234 175.800 -0.034 0.000 1.076 47 F CA -0.783 57.392 58.000 0.290 0.000 1.018 47 F CB 1.015 40.194 39.000 0.299 0.000 1.201 47 F HN 0.404 nan 8.300 nan 0.000 0.489 48 F N 2.449 122.238 119.950 -0.268 0.000 2.617 48 F HA 0.396 5.001 4.527 0.129 0.000 0.325 48 F C -0.970 174.539 175.800 -0.485 0.000 1.179 48 F CA -0.306 57.289 58.000 -0.676 0.000 0.965 48 F CB 1.242 39.400 39.000 -1.403 0.000 1.232 48 F HN 0.470 nan 8.300 nan 0.000 0.461 49 Q N 5.196 124.382 119.800 -1.023 0.000 2.340 49 Q HA 0.693 5.111 4.340 0.130 0.000 0.268 49 Q C -1.883 173.673 176.000 -0.740 0.000 1.031 49 Q CA -0.875 54.462 55.803 -0.776 0.000 0.804 49 Q CB 2.400 30.663 28.738 -0.792 0.000 1.286 49 Q HN 0.553 nan 8.270 nan 0.000 0.448 50 V N 5.336 124.995 119.914 -0.424 0.000 2.398 50 V HA 0.460 4.658 4.120 0.130 0.000 0.286 50 V C -0.391 175.599 176.094 -0.174 0.000 1.026 50 V CA -0.586 61.551 62.300 -0.272 0.000 0.868 50 V CB 1.272 33.035 31.823 -0.101 0.000 0.982 50 V HN 0.719 nan 8.190 nan 0.000 0.443 51 L N 4.899 126.046 121.223 -0.128 0.000 2.341 51 L HA 0.650 5.068 4.340 0.130 0.000 0.278 51 L C -0.223 176.625 176.870 -0.037 0.000 1.005 51 L CA -0.386 54.415 54.840 -0.064 0.000 0.818 51 L CB 2.100 44.133 42.059 -0.044 0.000 1.259 51 L HN 0.627 nan 8.230 nan 0.000 0.418 52 E N 1.758 121.959 120.200 0.001 0.000 2.248 52 E HA 0.793 5.221 4.350 0.130 0.000 0.267 52 E C -0.356 176.249 176.600 0.009 0.000 0.877 52 E CA -0.669 55.738 56.400 0.012 0.000 0.759 52 E CB 2.767 32.501 29.700 0.057 0.000 1.182 52 E HN 0.761 nan 8.360 nan 0.000 0.418 53 G N 0.883 109.685 108.800 0.004 0.000 2.333 53 G HA2 0.138 4.176 3.960 0.130 0.000 0.288 53 G HA3 0.138 4.176 3.960 0.130 0.000 0.288 53 G C -0.513 174.395 174.900 0.013 0.000 1.286 53 G CA -0.428 44.678 45.100 0.010 0.000 0.865 53 G HN 0.507 nan 8.290 nan 0.000 0.506 54 T N -1.726 112.840 114.554 0.020 0.000 2.856 54 T HA 0.330 4.758 4.350 0.130 0.000 0.306 54 T C 1.203 175.912 174.700 0.015 0.000 1.062 54 T CA 0.918 63.037 62.100 0.031 0.000 1.083 54 T CB 1.760 70.648 68.868 0.034 0.000 0.984 54 T HN 0.763 nan 8.240 nan 0.000 0.542 55 E N 0.454 120.670 120.200 0.026 0.000 2.160 55 E HA -0.214 4.214 4.350 0.130 0.000 0.195 55 E C 1.667 178.266 176.600 -0.001 0.000 0.991 55 E CA 1.438 57.832 56.400 -0.010 0.000 0.810 55 E CB 0.009 29.716 29.700 0.011 0.000 0.742 55 E HN 0.811 nan 8.360 nan 0.000 0.466 56 E N 0.170 120.381 120.200 0.017 0.000 2.072 56 E HA -0.066 4.362 4.350 0.130 0.000 0.190 56 E C 1.797 178.404 176.600 0.013 0.000 0.982 56 E CA 1.135 57.545 56.400 0.016 0.000 0.803 56 E CB -0.194 29.518 29.700 0.020 0.000 0.755 56 E HN 0.348 nan 8.360 nan 0.000 0.453 57 A N 0.559 123.386 122.820 0.012 0.000 1.930 57 A HA -0.091 4.307 4.320 0.130 0.000 0.217 57 A C 2.111 179.704 177.584 0.015 0.000 1.175 57 A CA 0.939 52.982 52.037 0.010 0.000 0.627 57 A CB -0.504 18.501 19.000 0.007 0.000 0.815 57 A HN 0.172 nan 8.150 nan 0.000 0.443 58 L N -1.191 120.037 121.223 0.009 0.000 2.109 58 L HA -0.120 4.298 4.340 0.130 0.000 0.207 58 L C 2.570 179.473 176.870 0.056 0.000 1.086 58 L CA 1.543 56.393 54.840 0.015 0.000 0.760 58 L CB -0.488 41.552 42.059 -0.031 0.000 0.910 58 L HN 0.486 nan 8.230 nan 0.000 0.437 59 E N 0.273 120.496 120.200 0.039 0.000 2.038 59 E HA -0.252 4.176 4.350 0.130 0.000 0.195 59 E C 2.356 178.995 176.600 0.064 0.000 1.000 59 E CA 1.784 58.222 56.400 0.063 0.000 0.803 59 E CB -0.087 29.630 29.700 0.028 0.000 0.750 59 E HN 0.247 nan 8.360 nan 0.000 0.448 60 S N -0.699 115.021 115.700 0.034 0.000 2.368 60 S HA -0.165 4.383 4.470 0.130 0.000 0.225 60 S C 1.943 176.553 174.600 0.015 0.000 1.030 60 S CA 1.330 59.539 58.200 0.015 0.000 0.999 60 S CB -0.413 62.791 63.200 0.007 0.000 0.844 60 S HN 0.348 nan 8.310 nan 0.000 0.459 61 L N 0.560 121.805 121.223 0.037 0.000 2.044 61 L HA 0.200 4.617 4.340 0.130 0.000 0.205 61 L C 2.027 178.939 176.870 0.070 0.000 1.075 61 L CA 1.999 56.863 54.840 0.040 0.000 0.747 61 L CB -1.089 40.997 42.059 0.045 0.000 0.903 61 L HN 0.491 nan 8.230 nan 0.000 0.435 62 F N -0.795 119.120 119.950 -0.058 0.000 2.269 62 F HA -0.217 4.387 4.527 0.130 0.000 0.301 62 F C 2.587 178.323 175.800 -0.107 0.000 1.082 62 F CA 1.341 59.285 58.000 -0.093 0.000 1.360 62 F CB -0.049 38.892 39.000 -0.097 0.000 1.041 62 F HN 0.229 nan 8.300 nan 0.000 0.512 63 S N 0.043 115.660 115.700 -0.139 0.000 2.383 63 S HA -0.197 4.351 4.470 0.130 0.000 0.227 63 S C 1.894 176.379 174.600 -0.192 0.000 1.026 63 S CA 1.561 59.637 58.200 -0.206 0.000 0.981 63 S CB -0.317 62.829 63.200 -0.090 0.000 0.818 63 S HN 0.555 nan 8.310 nan 0.000 0.472 64 E N 0.169 120.295 120.200 -0.123 0.000 2.106 64 E HA -0.055 4.373 4.350 0.130 0.000 0.192 64 E C 1.944 178.470 176.600 -0.124 0.000 0.984 64 E CA 1.110 57.450 56.400 -0.101 0.000 0.806 64 E CB -0.130 29.532 29.700 -0.064 0.000 0.750 64 E HN 0.539 nan 8.360 nan 0.000 0.458 65 I N 0.952 121.427 120.570 -0.158 0.000 2.315 65 I HA -0.274 3.974 4.170 0.130 0.000 0.248 65 I C 2.413 178.429 176.117 -0.167 0.000 1.117 65 I CA 1.052 62.267 61.300 -0.142 0.000 1.404 65 I CB -0.102 37.844 38.000 -0.089 0.000 1.071 65 I HN 0.111 nan 8.210 nan 0.000 0.419 66 Q N -0.069 119.454 119.800 -0.461 0.000 2.170 66 Q HA -0.141 4.277 4.340 0.130 0.000 0.203 66 Q C 1.886 177.765 176.000 -0.202 0.000 0.976 66 Q CA 1.471 56.994 55.803 -0.466 0.000 0.858 66 Q CB 0.011 28.358 28.738 -0.651 0.000 0.907 66 Q HN 0.363 nan 8.270 nan 0.000 0.433 67 S N 0.592 116.206 115.700 -0.144 0.000 2.605 67 S HA 0.012 4.560 4.470 0.130 0.000 0.217 67 S C -0.076 174.519 174.600 -0.009 0.000 0.958 67 S CA -0.167 57.994 58.200 -0.065 0.000 0.919 67 S CB 0.108 63.266 63.200 -0.070 0.000 0.780 67 S HN 0.252 nan 8.310 nan 0.000 0.507 68 D N 2.979 123.394 120.400 0.025 0.000 2.343 68 D HA 0.111 4.829 4.640 0.130 0.000 0.255 68 D C -1.648 174.743 176.300 0.152 0.000 1.187 68 D CA -1.679 52.348 54.000 0.045 0.000 0.875 68 D CB 1.515 42.290 40.800 -0.041 0.000 1.136 68 D HN 0.080 nan 8.370 nan 0.000 0.469 69 P HA 0.011 nan 4.420 nan 0.000 0.237 69 P C 0.897 178.317 177.300 0.201 0.000 1.178 69 P CA 0.311 63.494 63.100 0.138 0.000 0.766 69 P CB 0.383 32.106 31.700 0.037 0.000 0.876 70 R N -0.447 120.155 120.500 0.169 0.000 2.189 70 R HA -0.012 4.406 4.340 0.130 0.000 0.218 70 R C 1.286 177.847 176.300 0.434 0.000 1.074 70 R CA 0.702 56.921 56.100 0.198 0.000 0.991 70 R CB -0.458 29.853 30.300 0.019 0.000 0.883 70 R HN 0.584 nan 8.270 nan 0.000 0.457 71 H N -1.484 117.759 119.070 0.289 0.000 2.941 71 H HA 0.607 5.241 4.556 0.130 0.000 0.344 71 H C -0.778 174.659 175.328 0.182 0.000 1.235 71 H CA -1.592 54.630 56.048 0.291 0.000 1.149 71 H CB 1.550 31.528 29.762 0.360 0.000 1.885 71 H HN -0.125 nan 8.280 nan 0.000 0.558 72 R N -0.679 119.837 120.500 0.026 0.000 2.795 72 R HA 0.281 4.699 4.340 0.130 0.000 0.268 72 R C -1.410 174.878 176.300 -0.020 0.000 1.041 72 R CA -0.727 55.344 56.100 -0.049 0.000 0.927 72 R CB 0.777 31.006 30.300 -0.119 0.000 1.235 72 R HN 0.731 nan 8.270 nan 0.000 0.463 73 D N 0.060 120.503 120.400 0.071 0.000 2.697 73 D HA -0.111 4.607 4.640 0.130 0.000 0.238 73 D C -0.481 175.879 176.300 0.100 0.000 1.152 73 D CA 0.737 54.862 54.000 0.210 0.000 0.666 73 D CB -1.199 39.837 40.800 0.394 0.000 1.037 73 D HN 0.310 nan 8.370 nan 0.000 0.423 74 V N 0.818 120.688 119.914 -0.073 0.000 2.446 74 V HA 0.136 4.333 4.120 0.130 0.000 0.276 74 V C 0.934 176.983 176.094 -0.074 0.000 1.030 74 V CA -0.201 62.027 62.300 -0.120 0.000 1.033 74 V CB 1.541 33.154 31.823 -0.350 0.000 0.993 74 V HN 0.070 nan 8.190 nan 0.000 0.477 75 V N 5.088 125.014 119.914 0.020 0.000 2.376 75 V HA 0.305 4.503 4.120 0.130 0.000 0.287 75 V C 0.214 176.315 176.094 0.011 0.000 1.015 75 V CA -0.704 61.551 62.300 -0.076 0.000 0.834 75 V CB 1.541 33.299 31.823 -0.108 0.000 1.001 75 V HN 0.944 nan 8.190 nan 0.000 0.428 76 E N 3.805 123.984 120.200 -0.036 0.000 2.344 76 E HA 0.248 4.676 4.350 0.130 0.000 0.270 76 E C 0.097 176.636 176.600 -0.101 0.000 1.021 76 E CA -0.164 56.195 56.400 -0.068 0.000 0.887 76 E CB 0.928 30.561 29.700 -0.111 0.000 0.997 76 E HN 0.674 nan 8.360 nan 0.000 0.429 77 L N 4.026 125.185 121.223 -0.107 0.000 2.577 77 L HA 0.329 4.747 4.340 0.130 0.000 0.225 77 L C 0.719 177.533 176.870 -0.095 0.000 1.053 77 L CA 0.059 54.848 54.840 -0.084 0.000 0.866 77 L CB 0.391 42.430 42.059 -0.033 0.000 1.132 77 L HN 0.601 nan 8.230 nan 0.000 0.486 78 M N -0.025 119.493 119.600 -0.136 0.000 2.365 78 M HA 0.382 4.939 4.480 0.130 0.000 0.287 78 M C -1.693 174.499 176.300 -0.179 0.000 1.154 78 M CA -0.421 54.802 55.300 -0.129 0.000 0.941 78 M CB 2.735 35.276 32.600 -0.098 0.000 1.704 78 M HN -0.092 nan 8.290 nan 0.000 0.479 79 R N 3.284 123.683 120.500 -0.169 0.000 2.631 79 R HA 0.397 4.815 4.340 0.130 0.000 0.289 79 R C -2.249 173.927 176.300 -0.208 0.000 1.303 79 R CA -0.255 55.721 56.100 -0.207 0.000 0.989 79 R CB 1.071 31.237 30.300 -0.224 0.000 1.208 79 R HN 0.794 nan 8.270 nan 0.000 0.461 80 D N 2.076 122.349 120.400 -0.212 0.000 2.661 80 D HA 0.208 4.926 4.640 0.130 0.000 0.228 80 D C -0.996 175.181 176.300 -0.206 0.000 1.210 80 D CA -0.380 53.504 54.000 -0.194 0.000 0.826 80 D CB 1.233 41.984 40.800 -0.082 0.000 1.542 80 D HN 0.222 nan 8.370 nan 0.000 0.447 81 Y N 0.473 120.752 120.300 -0.035 0.000 2.480 81 Y HA 0.308 4.936 4.550 0.129 0.000 0.338 81 Y C 1.120 176.999 175.900 -0.035 0.000 1.220 81 Y CA 0.378 58.461 58.100 -0.029 0.000 1.430 81 Y CB 0.826 39.276 38.460 -0.017 0.000 1.311 81 Y HN 0.020 nan 8.280 nan 0.000 0.575 82 S N 0.559 116.340 115.700 0.135 0.000 2.538 82 S HA 0.674 5.222 4.470 0.130 0.000 0.288 82 S C 0.383 175.008 174.600 0.043 0.000 1.108 82 S CA -0.154 58.062 58.200 0.026 0.000 0.971 82 S CB 1.230 64.402 63.200 -0.046 0.000 1.041 82 S HN 0.806 nan 8.310 nan 0.000 0.483 83 A N 3.082 125.923 122.820 0.036 0.000 1.935 83 A HA 0.355 4.753 4.320 0.130 0.000 0.214 83 A C 0.176 177.888 177.584 0.213 0.000 1.178 83 A CA 1.050 53.169 52.037 0.137 0.000 0.640 83 A CB -0.349 18.788 19.000 0.227 0.000 0.825 83 A HN 1.196 nan 8.150 nan 0.000 0.447 84 Y N -3.164 117.151 120.300 0.025 0.000 2.625 84 Y HA 0.715 5.343 4.550 0.130 0.000 0.338 84 Y C -0.495 175.429 175.900 0.039 0.000 1.123 84 Y CA -1.837 56.278 58.100 0.025 0.000 1.046 84 Y CB 0.712 39.170 38.460 -0.003 0.000 1.299 84 Y HN 0.012 nan 8.280 nan 0.000 0.464 85 R N 1.638 122.239 120.500 0.168 0.000 2.234 85 R HA 0.355 4.772 4.340 0.130 0.000 0.324 85 R C 0.137 176.507 176.300 0.116 0.000 1.054 85 R CA -0.377 55.795 56.100 0.119 0.000 0.912 85 R CB 0.678 31.127 30.300 0.249 0.000 1.030 85 R HN 0.912 nan 8.270 nan 0.000 0.455 86 R N 2.594 123.060 120.500 -0.057 0.000 2.127 86 R HA 0.066 4.484 4.340 0.130 0.000 0.217 86 R C 0.005 176.068 176.300 -0.396 0.000 1.074 86 R CA 1.042 57.001 56.100 -0.235 0.000 0.991 86 R CB 0.366 30.405 30.300 -0.435 0.000 0.895 86 R HN 0.467 nan 8.270 nan 0.000 0.450 87 F N 0.462 120.485 119.950 0.122 0.000 2.848 87 F HA 0.224 4.828 4.527 0.129 0.000 0.321 87 F C 0.207 176.111 175.800 0.172 0.000 1.281 87 F CA -0.833 57.265 58.000 0.163 0.000 1.209 87 F CB -0.077 39.017 39.000 0.157 0.000 1.152 87 F HN 0.008 nan 8.300 nan 0.000 0.521 88 H N 0.883 120.064 119.070 0.185 0.000 3.004 88 H HA 0.198 4.832 4.556 0.130 0.000 0.316 88 H C 1.248 176.671 175.328 0.158 0.000 1.014 88 H CA 1.599 57.734 56.048 0.145 0.000 1.454 88 H CB 0.827 30.649 29.762 0.100 0.000 1.472 88 H HN 0.747 nan 8.280 nan 0.000 0.571 89 G N 4.099 112.895 108.800 -0.007 0.000 2.160 89 G HA2 -0.232 3.806 3.960 0.130 0.000 0.244 89 G HA3 -0.232 3.806 3.960 0.130 0.000 0.244 89 G C -0.076 174.880 174.900 0.094 0.000 1.022 89 G CA 0.429 45.568 45.100 0.065 0.000 0.741 89 G HN 0.710 nan 8.290 nan 0.000 0.508 90 T N -0.137 114.479 114.554 0.104 0.000 3.077 90 T HA 0.559 4.987 4.350 0.130 0.000 0.359 90 T C 1.602 176.329 174.700 0.045 0.000 1.108 90 T CA 0.368 62.527 62.100 0.098 0.000 1.170 90 T CB 1.049 70.051 68.868 0.223 0.000 1.045 90 T HN 0.821 nan 8.240 nan 0.000 0.505 91 G N 2.566 111.368 108.800 0.003 0.000 2.514 91 G HA2 0.020 4.058 3.960 0.130 0.000 0.217 91 G HA3 0.020 4.058 3.960 0.130 0.000 0.217 91 G C 0.317 175.197 174.900 -0.032 0.000 1.198 91 G CA 1.122 46.211 45.100 -0.019 0.000 0.780 91 G HN 0.524 nan 8.290 nan 0.000 0.565 92 M N -2.122 117.452 119.600 -0.043 0.000 2.490 92 M HA 0.606 5.164 4.480 0.130 0.000 0.286 92 M C -1.398 174.861 176.300 -0.068 0.000 1.185 92 M CA -0.962 54.299 55.300 -0.065 0.000 0.912 92 M CB 2.172 34.731 32.600 -0.069 0.000 1.744 92 M HN 0.221 nan 8.290 nan 0.000 0.494 93 R N 3.259 123.710 120.500 -0.081 0.000 2.566 93 R HA 0.698 5.116 4.340 0.130 0.000 0.271 93 R C -1.934 174.350 176.300 -0.026 0.000 1.071 93 R CA -0.638 55.414 56.100 -0.080 0.000 0.915 93 R CB 1.775 31.968 30.300 -0.178 0.000 1.228 93 R HN 0.909 nan 8.270 nan 0.000 0.449 94 I N 4.268 124.849 120.570 0.018 0.000 2.385 94 I HA 0.357 4.605 4.170 0.130 0.000 0.294 94 I C -1.322 174.896 176.117 0.168 0.000 0.988 94 I CA -0.912 60.444 61.300 0.094 0.000 1.265 94 I CB 1.117 39.173 38.000 0.093 0.000 1.388 94 I HN 0.551 nan 8.210 nan 0.000 0.480 95 L N 7.192 128.559 121.223 0.240 0.000 2.319 95 L HA 0.369 4.787 4.340 0.130 0.000 0.281 95 L C -0.682 176.428 176.870 0.399 0.000 1.005 95 L CA -0.329 54.718 54.840 0.344 0.000 0.828 95 L CB 1.355 43.575 42.059 0.268 0.000 1.227 95 L HN 0.461 nan 8.230 nan 0.000 0.415 96 D N 3.568 124.233 120.400 0.441 0.000 2.393 96 D HA 0.169 4.887 4.640 0.130 0.000 0.232 96 D C 1.084 177.637 176.300 0.422 0.000 1.192 96 D CA -0.042 54.195 54.000 0.395 0.000 0.882 96 D CB 0.956 41.942 40.800 0.309 0.000 1.038 96 D HN 0.432 nan 8.370 nan 0.000 0.499 97 L N 3.282 124.702 121.223 0.329 0.000 2.353 97 L HA -0.098 4.320 4.340 0.130 0.000 0.220 97 L C 2.156 179.163 176.870 0.228 0.000 1.133 97 L CA 0.721 55.738 54.840 0.296 0.000 0.798 97 L CB -0.181 41.948 42.059 0.117 0.000 0.922 97 L HN 0.265 nan 8.230 nan 0.000 0.445 98 R N 0.091 120.669 120.500 0.130 0.000 2.236 98 R HA 0.030 4.447 4.340 0.130 0.000 0.208 98 R C 1.516 177.837 176.300 0.035 0.000 1.036 98 R CA 0.602 56.733 56.100 0.052 0.000 1.001 98 R CB -0.052 30.248 30.300 0.001 0.000 0.896 98 R HN 0.355 nan 8.270 nan 0.000 0.464 99 L N 0.239 121.468 121.223 0.011 0.000 2.685 99 L HA 0.258 4.676 4.340 0.130 0.000 0.233 99 L C -0.445 176.178 176.870 -0.411 0.000 1.173 99 L CA -0.079 54.644 54.840 -0.196 0.000 0.961 99 L CB 0.151 42.040 42.059 -0.284 0.000 1.217 99 L HN -0.026 nan 8.230 nan 0.000 0.478 100 F N -0.827 119.144 119.950 0.035 0.000 2.551 100 F HA 0.387 4.992 4.527 0.130 0.000 0.316 100 F C 0.759 176.570 175.800 0.018 0.000 1.089 100 F CA -0.949 57.072 58.000 0.035 0.000 0.915 100 F CB 1.545 40.573 39.000 0.047 0.000 1.186 100 F HN -0.184 nan 8.300 nan 0.000 0.456 101 E N 0.278 120.604 120.200 0.210 0.000 2.369 101 E HA 0.064 4.491 4.350 0.130 0.000 0.255 101 E C -0.032 176.638 176.600 0.117 0.000 1.172 101 E CA -0.155 56.319 56.400 0.123 0.000 0.932 101 E CB 1.179 30.931 29.700 0.087 0.000 1.040 101 E HN 0.589 nan 8.360 nan 0.000 0.454 102 T N 1.076 115.668 114.554 0.062 0.000 2.933 102 T HA -0.081 4.347 4.350 0.130 0.000 0.306 102 T C 0.148 174.872 174.700 0.040 0.000 1.045 102 T CA 0.611 62.732 62.100 0.035 0.000 1.143 102 T CB 0.002 68.877 68.868 0.013 0.000 1.003 102 T HN 0.444 nan 8.240 nan 0.000 0.540 103 D N 1.974 122.385 120.400 0.018 0.000 2.328 103 D HA -0.183 4.535 4.640 0.130 0.000 0.167 103 D C 1.472 177.785 176.300 0.022 0.000 1.205 103 D CA 2.016 56.027 54.000 0.019 0.000 1.128 103 D CB -1.594 39.226 40.800 0.034 0.000 1.157 103 D HN 0.742 nan 8.370 nan 0.000 0.468 104 G N 0.684 109.524 108.800 0.067 0.000 2.440 104 G HA2 -0.039 3.998 3.960 0.130 0.000 0.218 104 G HA3 -0.039 3.998 3.960 0.130 0.000 0.218 104 G C 1.717 176.537 174.900 -0.134 0.000 1.154 104 G CA 2.358 47.541 45.100 0.139 0.000 0.767 104 G HN 0.642 nan 8.290 nan 0.000 0.552 105 A N 0.101 122.675 122.820 -0.410 0.000 1.898 105 A HA 0.159 4.557 4.320 0.130 0.000 0.216 105 A C 2.329 179.690 177.584 -0.372 0.000 1.181 105 A CA 1.399 52.926 52.037 -0.849 0.000 0.620 105 A CB -0.388 18.272 19.000 -0.567 0.000 0.819 105 A HN 0.330 nan 8.150 nan 0.000 0.442 106 L N 0.013 121.130 121.223 -0.176 0.000 2.093 106 L HA -0.099 4.318 4.340 0.130 0.000 0.208 106 L C 2.223 179.107 176.870 0.024 0.000 1.085 106 L CA 2.075 56.886 54.840 -0.048 0.000 0.755 106 L CB -0.585 41.465 42.059 -0.015 0.000 0.904 106 L HN 0.498 nan 8.230 nan 0.000 0.435 107 E N -1.020 119.184 120.200 0.006 0.000 2.150 107 E HA -0.262 4.166 4.350 0.130 0.000 0.193 107 E C 1.991 178.614 176.600 0.038 0.000 0.985 107 E CA 1.135 57.557 56.400 0.037 0.000 0.814 107 E CB 0.027 29.761 29.700 0.057 0.000 0.752 107 E HN 0.554 nan 8.360 nan 0.000 0.466 108 E N 0.707 120.921 120.200 0.024 0.000 2.072 108 E HA -0.189 4.239 4.350 0.130 0.000 0.191 108 E C 1.932 178.557 176.600 0.043 0.000 0.985 108 E CA 0.875 57.349 56.400 0.124 0.000 0.801 108 E CB 0.069 29.874 29.700 0.174 0.000 0.750 108 E HN 0.076 nan 8.360 nan 0.000 0.452 109 I N 1.258 121.772 120.570 -0.093 0.000 2.113 109 I HA -0.316 3.932 4.170 0.130 0.000 0.242 109 I C 2.401 178.277 176.117 -0.402 0.000 1.064 109 I CA 1.477 62.589 61.300 -0.315 0.000 1.320 109 I CB -1.220 36.773 38.000 -0.012 0.000 1.028 109 I HN 0.319 nan 8.210 nan 0.000 0.406 110 L N -0.199 120.939 121.223 -0.141 0.000 2.456 110 L HA -0.125 4.293 4.340 0.130 0.000 0.224 110 L C 2.511 179.321 176.870 -0.100 0.000 1.148 110 L CA 0.694 55.462 54.840 -0.121 0.000 0.825 110 L CB -0.442 41.583 42.059 -0.057 0.000 0.937 110 L HN 0.219 nan 8.230 nan 0.000 0.450 111 R N -0.398 120.068 120.500 -0.057 0.000 2.210 111 R HA 0.008 4.426 4.340 0.130 0.000 0.203 111 R C 1.362 177.760 176.300 0.164 0.000 1.010 111 R CA 0.782 56.925 56.100 0.072 0.000 1.008 111 R CB 0.157 30.552 30.300 0.159 0.000 0.923 111 R HN 0.429 nan 8.270 nan 0.000 0.469 112 F N -0.625 119.398 119.950 0.121 0.000 2.688 112 F HA 0.363 4.968 4.527 0.130 0.000 0.310 112 F C 0.305 176.196 175.800 0.151 0.000 1.098 112 F CA -1.091 56.995 58.000 0.144 0.000 1.228 112 F CB -0.071 39.035 39.000 0.176 0.000 1.042 112 F HN -0.282 nan 8.300 nan 0.000 0.557 113 S N 1.184 116.732 115.700 -0.253 0.000 2.584 113 S HA 0.646 5.194 4.470 0.130 0.000 0.273 113 S C 0.144 174.646 174.600 -0.163 0.000 1.311 113 S CA 0.231 58.221 58.200 -0.351 0.000 1.034 113 S CB 1.292 64.209 63.200 -0.472 0.000 0.939 113 S HN 0.436 nan 8.310 nan 0.000 0.513 121 V N 1.396 121.213 119.914 -0.161 0.000 3.078 121 V HA -0.039 4.159 4.120 0.130 0.000 0.265 121 V C 1.038 177.196 176.094 0.107 0.000 1.122 121 V CA 1.851 64.245 62.300 0.156 0.000 1.141 121 V CB -0.560 31.353 31.823 0.150 0.000 0.735 121 V HN 0.244 nan 8.190 nan 0.000 0.498 122 N N 0.530 119.249 118.700 0.031 0.000 2.398 122 N HA 0.037 4.855 4.740 0.130 0.000 0.188 122 N C 0.097 175.641 175.510 0.058 0.000 1.122 122 N CA 0.314 53.386 53.050 0.038 0.000 0.866 122 N CB 0.101 38.594 38.487 0.011 0.000 0.970 122 N HN 0.592 nan 8.380 nan 0.000 0.462 123 D N -0.145 120.304 120.400 0.081 0.000 2.217 123 D HA 0.193 4.911 4.640 0.130 0.000 0.243 123 D C 1.143 177.526 176.300 0.137 0.000 1.054 123 D CA -0.553 53.507 54.000 0.099 0.000 0.838 123 D CB 1.680 42.535 40.800 0.091 0.000 1.162 123 D HN -0.193 nan 8.370 nan 0.000 0.472 124 R N 3.612 124.168 120.500 0.093 0.000 2.081 124 R HA -0.117 4.301 4.340 0.130 0.000 0.235 124 R C 1.993 178.357 176.300 0.106 0.000 1.131 124 R CA 1.139 57.291 56.100 0.086 0.000 0.960 124 R CB -0.125 30.205 30.300 0.050 0.000 0.856 124 R HN 0.650 nan 8.270 nan 0.000 0.436 125 M N -0.126 119.537 119.600 0.105 0.000 2.080 125 M HA -0.231 4.327 4.480 0.130 0.000 0.260 125 M C 1.901 178.319 176.300 0.197 0.000 1.068 125 M CA 1.848 57.228 55.300 0.135 0.000 1.109 125 M CB -0.310 32.354 32.600 0.106 0.000 1.342 125 M HN 0.233 nan 8.290 nan 0.000 0.405 126 F N 0.984 120.970 119.950 0.059 0.000 2.171 126 F HA -0.169 4.435 4.527 0.129 0.000 0.300 126 F C 2.266 178.094 175.800 0.046 0.000 1.090 126 F CA 1.682 59.713 58.000 0.051 0.000 1.293 126 F CB -0.296 38.714 39.000 0.017 0.000 1.013 126 F HN 0.107 nan 8.300 nan 0.000 0.486 127 R N 0.091 120.648 120.500 0.095 0.000 2.096 127 R HA -0.132 4.286 4.340 0.130 0.000 0.235 127 R C 2.266 178.537 176.300 -0.048 0.000 1.127 127 R CA 1.707 57.806 56.100 -0.001 0.000 0.968 127 R CB -0.652 29.696 30.300 0.080 0.000 0.861 127 R HN 0.370 nan 8.270 nan 0.000 0.440 128 L N 0.545 121.789 121.223 0.034 0.000 2.093 128 L HA -0.163 4.255 4.340 0.130 0.000 0.208 128 L C 2.376 179.224 176.870 -0.036 0.000 1.085 128 L CA 1.015 55.912 54.840 0.096 0.000 0.755 128 L CB -0.359 41.849 42.059 0.249 0.000 0.904 128 L HN 0.187 nan 8.230 nan 0.000 0.435 129 L N -0.902 120.285 121.223 -0.059 0.000 2.042 129 L HA -0.230 4.187 4.340 0.130 0.000 0.210 129 L C 2.718 179.385 176.870 -0.338 0.000 1.076 129 L CA 1.317 56.016 54.840 -0.236 0.000 0.749 129 L CB -0.454 41.545 42.059 -0.099 0.000 0.893 129 L HN 0.218 nan 8.230 nan 0.000 0.432 130 S N -0.171 115.295 115.700 -0.390 0.000 2.368 130 S HA -0.164 4.384 4.470 0.130 0.000 0.225 130 S C 2.194 176.663 174.600 -0.218 0.000 1.030 130 S CA 1.111 59.099 58.200 -0.353 0.000 0.999 130 S CB -0.373 62.584 63.200 -0.405 0.000 0.844 130 S HN 0.503 nan 8.310 nan 0.000 0.459 131 A N 0.938 123.660 122.820 -0.164 0.000 1.908 131 A HA -0.095 4.303 4.320 0.130 0.000 0.218 131 A C 1.914 179.425 177.584 -0.122 0.000 1.181 131 A CA 1.463 53.443 52.037 -0.096 0.000 0.627 131 A CB -0.833 18.158 19.000 -0.015 0.000 0.818 131 A HN 0.497 nan 8.150 nan 0.000 0.445 132 F N 0.085 119.799 119.950 -0.392 0.000 2.259 132 F HA -0.018 4.586 4.527 0.129 0.000 0.298 132 F C 1.871 177.481 175.800 -0.316 0.000 1.088 132 F CA 1.223 58.951 58.000 -0.453 0.000 1.358 132 F CB -0.086 38.285 39.000 -1.048 0.000 1.040 132 F HN 0.164 nan 8.300 nan 0.000 0.505 133 I N -0.298 120.130 120.570 -0.236 0.000 2.286 133 I HA -0.231 4.016 4.170 0.130 0.000 0.245 133 I C 2.617 178.600 176.117 -0.224 0.000 1.104 133 I CA 1.144 62.314 61.300 -0.216 0.000 1.397 133 I CB -0.722 37.181 38.000 -0.163 0.000 1.072 133 I HN 0.170 nan 8.210 nan 0.000 0.417 134 A N -0.717 121.988 122.820 -0.193 0.000 1.872 134 A HA -0.171 4.227 4.320 0.130 0.000 0.214 134 A C 1.081 178.564 177.584 -0.168 0.000 1.187 134 A CA 1.751 53.697 52.037 -0.151 0.000 0.614 134 A CB -0.067 18.865 19.000 -0.114 0.000 0.826 134 A HN 0.395 nan 8.150 nan 0.000 0.442 135 D N -2.437 117.845 120.400 -0.198 0.000 2.978 135 D HA 0.322 5.040 4.640 0.130 0.000 0.268 135 D C 0.896 177.055 176.300 -0.235 0.000 1.252 135 D CA 0.454 54.338 54.000 -0.192 0.000 0.771 135 D CB -0.015 40.712 40.800 -0.121 0.000 1.361 135 D HN 0.085 nan 8.370 nan 0.000 0.558 136 G N 0.039 108.567 108.800 -0.454 0.000 2.443 136 G HA2 -0.067 3.970 3.960 0.130 0.000 0.219 136 G HA3 -0.067 3.970 3.960 0.130 0.000 0.219 136 G C 1.299 176.055 174.900 -0.240 0.000 1.131 136 G CA 0.590 45.309 45.100 -0.635 0.000 0.775 136 G HN 0.425 nan 8.290 nan 0.000 0.547 137 G N -0.255 108.418 108.800 -0.211 0.000 3.026 137 G HA2 0.044 4.082 3.960 0.130 0.000 0.208 137 G HA3 0.044 4.082 3.960 0.130 0.000 0.208 137 G C 1.442 176.299 174.900 -0.072 0.000 1.169 137 G CA 0.237 45.276 45.100 -0.102 0.000 0.788 137 G HN 0.411 nan 8.290 nan 0.000 0.533 138 R N -0.601 119.848 120.500 -0.084 0.000 2.073 138 R HA -0.088 4.330 4.340 0.130 0.000 0.234 138 R C 0.784 176.918 176.300 -0.276 0.000 1.134 138 R CA 1.155 57.133 56.100 -0.203 0.000 0.952 138 R CB -0.142 30.012 30.300 -0.244 0.000 0.850 138 R HN 0.441 nan 8.270 nan 0.000 0.433 139 Y N -1.092 119.272 120.300 0.106 0.000 2.658 139 Y HA 0.193 4.820 4.550 0.129 0.000 0.276 139 Y C 0.092 176.121 175.900 0.215 0.000 1.167 139 Y CA -0.803 57.410 58.100 0.188 0.000 1.230 139 Y CB 0.247 38.867 38.460 0.267 0.000 1.144 139 Y HN 0.088 nan 8.280 nan 0.000 0.529 140 C N 2.368 121.788 119.300 0.200 0.000 2.657 140 C HA 0.218 4.756 4.460 0.130 0.000 0.404 140 C C 0.652 175.635 174.990 -0.012 0.000 1.369 140 C CA -1.094 58.004 59.018 0.134 0.000 1.665 140 C CB -1.647 26.130 27.740 0.062 0.000 2.453 140 C HN 0.360 nan 8.230 nan 0.000 0.599 141 L N 10.498 131.652 121.223 -0.114 0.000 2.500 141 L HA 0.350 4.768 4.340 0.130 0.000 0.272 141 L C -1.912 174.839 176.870 -0.197 0.000 1.149 141 L CA -0.753 53.850 54.840 -0.395 0.000 0.897 141 L CB 0.291 41.908 42.059 -0.737 0.000 1.178 141 L HN 0.533 nan 8.230 nan 0.000 0.473 142 P HA 0.089 nan 4.420 nan 0.000 0.272 142 P C 0.228 177.496 177.300 -0.055 0.000 1.223 142 P CA -0.277 62.769 63.100 -0.089 0.000 0.784 142 P CB 0.544 32.196 31.700 -0.079 0.000 0.923 143 E N 2.628 122.818 120.200 -0.017 0.000 2.058 143 E HA -0.154 4.273 4.350 0.130 0.000 0.194 143 E C -0.695 175.930 176.600 0.041 0.000 0.997 143 E CA 2.005 58.412 56.400 0.011 0.000 0.801 143 E CB -2.063 27.644 29.700 0.012 0.000 0.746 143 E HN 0.533 nan 8.360 nan 0.000 0.450 144 P HA -0.043 nan 4.420 nan 0.000 0.237 144 P C 1.106 178.607 177.300 0.334 0.000 1.178 144 P CA 0.832 64.000 63.100 0.113 0.000 0.766 144 P CB -0.012 31.751 31.700 0.106 0.000 0.876 145 L N -1.130 120.219 121.223 0.211 0.000 2.667 145 L HA 0.157 4.575 4.340 0.130 0.000 0.232 145 L C 0.907 177.844 176.870 0.111 0.000 1.138 145 L CA -0.189 54.760 54.840 0.182 0.000 0.921 145 L CB -0.197 41.781 42.059 -0.134 0.000 1.180 145 L HN -0.102 nan 8.230 nan 0.000 0.487 146 Q N 0.818 120.710 119.800 0.155 0.000 2.311 146 Q HA 0.044 4.462 4.340 0.130 0.000 0.272 146 Q C -1.457 174.717 176.000 0.290 0.000 1.012 146 Q CA -1.275 54.614 55.803 0.143 0.000 0.891 146 Q CB 0.877 29.684 28.738 0.115 0.000 1.201 146 Q HN -0.027 nan 8.270 nan 0.000 0.391 147 P HA -0.185 nan 4.420 nan 0.000 0.217 147 P C 1.034 178.501 177.300 0.278 0.000 1.148 147 P CA 1.616 64.884 63.100 0.280 0.000 0.834 147 P CB 0.202 32.025 31.700 0.205 0.000 0.783 148 S N -1.856 113.967 115.700 0.206 0.000 2.603 148 S HA 0.061 4.609 4.470 0.130 0.000 0.220 148 S C 1.419 176.082 174.600 0.106 0.000 0.967 148 S CA 0.102 58.390 58.200 0.146 0.000 0.920 148 S CB -0.554 62.715 63.200 0.116 0.000 0.773 148 S HN 0.085 nan 8.310 nan 0.000 0.529 149 R N -0.005 120.568 120.500 0.121 0.000 2.388 149 R HA 0.286 4.704 4.340 0.130 0.000 0.247 149 R C -1.210 174.878 176.300 -0.353 0.000 0.931 149 R CA 0.002 56.040 56.100 -0.103 0.000 1.082 149 R CB -0.166 30.044 30.300 -0.149 0.000 1.135 149 R HN 0.481 nan 8.270 nan 0.000 0.525 150 W N 0.436 121.787 121.300 0.085 0.000 3.127 150 W HA 0.508 5.247 4.660 0.131 0.000 0.330 150 W C -0.431 176.107 176.519 0.032 0.000 1.187 150 W CA -0.835 56.559 57.345 0.081 0.000 1.198 150 W CB 1.490 31.047 29.460 0.162 0.000 1.408 150 W HN -0.224 nan 8.180 nan 0.000 0.529 151 M N 3.444 123.201 119.600 0.263 0.000 2.378 151 M HA 0.482 5.040 4.480 0.130 0.000 0.289 151 M C -1.379 174.975 176.300 0.090 0.000 1.136 151 M CA -0.646 54.731 55.300 0.129 0.000 0.917 151 M CB 1.508 34.152 32.600 0.072 0.000 1.669 151 M HN 0.232 nan 8.290 nan 0.000 0.461 152 M N 5.962 125.570 119.600 0.013 0.000 2.162 152 M HA 0.402 4.960 4.480 0.130 0.000 0.356 152 M C -0.698 175.600 176.300 -0.002 0.000 1.303 152 M CA 0.178 55.455 55.300 -0.039 0.000 1.116 152 M CB 0.287 32.812 32.600 -0.125 0.000 1.632 152 M HN 0.815 nan 8.290 nan 0.000 0.469 153 M N 3.965 123.583 119.600 0.030 0.000 2.326 153 M HA 0.667 5.225 4.480 0.130 0.000 0.292 153 M C -2.791 173.537 176.300 0.047 0.000 1.081 153 M CA -1.787 53.538 55.300 0.042 0.000 0.919 153 M CB 2.389 35.031 32.600 0.069 0.000 1.634 153 M HN 0.211 nan 8.290 nan 0.000 0.451 154 P HA 0.234 nan 4.420 nan 0.000 0.268 154 P C -0.820 176.521 177.300 0.068 0.000 1.205 154 P CA 0.095 63.199 63.100 0.005 0.000 0.771 154 P CB 0.787 32.486 31.700 -0.002 0.000 0.858 159 A N 2.563 125.389 122.820 0.009 0.000 2.301 159 A HA 0.839 5.237 4.320 0.130 0.000 0.298 159 A C 0.476 178.062 177.584 0.004 0.000 1.185 159 A CA -0.111 51.929 52.037 0.006 0.000 0.830 159 A CB 0.604 19.605 19.000 0.002 0.000 1.112 159 A HN 1.553 nan 8.150 nan 0.000 0.508 160 A N 4.616 127.438 122.820 0.002 0.000 2.786 160 A HA 0.652 5.050 4.320 0.130 0.000 0.346 160 A C -2.499 175.086 177.584 0.003 0.000 1.265 160 A CA -1.322 50.717 52.037 0.003 0.000 0.858 160 A CB -0.153 18.849 19.000 0.004 0.000 1.118 160 A HN 0.633 nan 8.150 nan 0.000 0.482 161 P HA 0.378 nan 4.420 nan 0.000 0.279 161 P C -0.795 176.519 177.300 0.024 0.000 1.239 161 P CA -0.129 62.980 63.100 0.014 0.000 0.789 161 P CB 1.175 32.884 31.700 0.014 0.000 0.933 162 Q N 0.485 120.304 119.800 0.031 0.000 2.397 162 Q HA 0.260 4.678 4.340 0.130 0.000 0.275 162 Q C -1.002 175.042 176.000 0.073 0.000 1.090 162 Q CA -0.742 55.089 55.803 0.047 0.000 0.809 162 Q CB 1.790 30.545 28.738 0.028 0.000 1.362 162 Q HN 0.592 nan 8.270 nan 0.000 0.431 163 H N 4.575 123.644 119.070 -0.001 0.000 2.527 163 H HA 0.321 4.955 4.556 0.130 0.000 0.321 163 H C -1.278 174.050 175.328 -0.000 0.000 1.087 163 H CA -0.214 55.832 56.048 -0.005 0.000 1.337 163 H CB 0.655 30.411 29.762 -0.010 0.000 1.440 163 H HN 0.545 nan 8.280 nan 0.000 0.490 164 L N 8.912 129.835 121.223 -0.500 0.000 2.356 164 L HA 0.280 4.698 4.340 0.130 0.000 0.264 164 L C -2.135 174.449 176.870 -0.478 0.000 1.029 164 L CA -1.893 52.748 54.840 -0.331 0.000 0.897 164 L CB 1.460 43.426 42.059 -0.155 0.000 1.256 164 L HN 0.499 nan 8.230 nan 0.000 0.444 165 P HA 0.128 nan 4.420 nan 0.000 0.273 165 P C 0.794 178.050 177.300 -0.073 0.000 1.250 165 P CA 0.266 63.292 63.100 -0.123 0.000 0.793 165 P CB 0.935 32.697 31.700 0.104 0.000 1.011 166 G N -0.861 107.920 108.800 -0.031 0.000 2.143 166 G HA2 -0.215 3.823 3.960 0.130 0.000 0.248 166 G HA3 -0.215 3.823 3.960 0.130 0.000 0.248 166 G C -0.087 174.781 174.900 -0.053 0.000 0.991 166 G CA -0.078 45.012 45.100 -0.015 0.000 0.689 166 G HN 0.646 nan 8.290 nan 0.000 0.522 167 Q N -0.585 119.128 119.800 -0.144 0.000 2.353 167 Q HA 0.419 4.837 4.340 0.130 0.000 0.268 167 Q C -1.569 174.271 176.000 -0.267 0.000 1.045 167 Q CA -1.807 53.803 55.803 -0.321 0.000 0.811 167 Q CB 2.597 31.067 28.738 -0.447 0.000 1.305 167 Q HN 0.162 nan 8.270 nan 0.000 0.447 168 P HA -0.042 nan 4.420 nan 0.000 0.229 168 P C 0.235 177.506 177.300 -0.049 0.000 1.160 168 P CA 0.562 63.620 63.100 -0.070 0.000 0.777 168 P CB 0.210 31.983 31.700 0.123 0.000 0.814 169 C N -2.836 116.316 119.300 -0.248 0.000 3.291 169 C HA 0.719 5.257 4.460 0.130 0.000 0.316 169 C C -0.816 174.000 174.990 -0.289 0.000 1.391 169 C CA -0.868 58.015 59.018 -0.224 0.000 1.394 169 C CB 2.003 29.605 27.740 -0.230 0.000 1.744 169 C HN 0.084 nan 8.230 nan 0.000 0.461 170 Q N -0.355 119.270 119.800 -0.291 0.000 2.552 170 Q HA 0.741 5.159 4.340 0.130 0.000 0.289 170 Q C -1.943 173.855 176.000 -0.336 0.000 1.097 170 Q CA -0.448 55.242 55.803 -0.187 0.000 0.812 170 Q CB 2.695 31.363 28.738 -0.118 0.000 1.460 170 Q HN 0.717 nan 8.270 nan 0.000 0.452 171 F N 0.216 120.156 119.950 -0.017 0.000 2.573 171 F HA 0.551 5.156 4.527 0.130 0.000 0.316 171 F C -0.439 175.371 175.800 0.016 0.000 1.148 171 F CA -0.732 57.274 58.000 0.010 0.000 0.940 171 F CB 1.863 40.871 39.000 0.013 0.000 1.214 171 F HN 0.575 nan 8.300 nan 0.000 0.448 172 A N 3.534 126.469 122.820 0.191 0.000 2.316 172 A HA 0.772 5.170 4.320 0.130 0.000 0.284 172 A C -1.337 176.355 177.584 0.180 0.000 1.115 172 A CA -0.392 51.734 52.037 0.147 0.000 0.812 172 A CB 0.659 19.727 19.000 0.113 0.000 1.064 172 A HN 0.579 nan 8.150 nan 0.000 0.489 173 L N 1.417 122.718 121.223 0.130 0.000 2.313 173 L HA 0.478 4.895 4.340 0.130 0.000 0.283 173 L C 0.113 177.099 176.870 0.193 0.000 1.013 173 L CA 0.194 55.118 54.840 0.140 0.000 0.816 173 L CB 1.541 43.605 42.059 0.007 0.000 1.236 173 L HN 0.864 nan 8.230 nan 0.000 0.419 174 Q N 2.389 122.338 119.800 0.249 0.000 2.331 174 Q HA 0.783 5.201 4.340 0.130 0.000 0.267 174 Q C -0.789 175.375 176.000 0.274 0.000 1.006 174 Q CA -0.769 55.182 55.803 0.246 0.000 0.818 174 Q CB 1.917 30.776 28.738 0.202 0.000 1.276 174 Q HN 0.787 nan 8.270 nan 0.000 0.450 175 A N 4.151 127.111 122.820 0.233 0.000 2.440 175 A HA 0.376 4.774 4.320 0.130 0.000 0.251 175 A C -0.558 176.996 177.584 -0.049 0.000 1.089 175 A CA -0.222 51.809 52.037 -0.009 0.000 0.779 175 A CB 0.097 19.064 19.000 -0.054 0.000 1.022 175 A HN 0.726 nan 8.150 nan 0.000 0.492 176 I N 2.883 123.368 120.570 -0.140 0.000 2.315 176 I HA 0.366 4.613 4.170 0.130 0.000 0.291 176 I C 0.326 176.372 176.117 -0.117 0.000 1.006 176 I CA -0.024 61.223 61.300 -0.087 0.000 1.265 176 I CB 1.548 39.511 38.000 -0.062 0.000 1.387 176 I HN 0.523 nan 8.210 nan 0.000 0.475 177 V N 2.370 122.233 119.914 -0.085 0.000 2.881 177 V HA 0.646 4.844 4.120 0.130 0.000 0.316 177 V C -0.384 175.760 176.094 0.083 0.000 1.070 177 V CA -0.679 61.617 62.300 -0.006 0.000 0.976 177 V CB 1.871 33.636 31.823 -0.098 0.000 1.038 177 V HN 0.797 nan 8.190 nan 0.000 0.446 178 E N 2.849 123.161 120.200 0.186 0.000 2.346 178 E HA 0.444 4.871 4.350 0.130 0.000 0.239 178 E C -2.229 174.486 176.600 0.192 0.000 0.943 178 E CA -1.983 54.522 56.400 0.175 0.000 0.751 178 E CB 2.094 31.846 29.700 0.087 0.000 1.241 178 E HN 0.604 nan 8.360 nan 0.000 0.423 179 P HA -0.178 nan 4.420 nan 0.000 0.218 179 P C 0.901 178.250 177.300 0.081 0.000 1.148 179 P CA 1.219 64.451 63.100 0.221 0.000 0.822 179 P CB 0.284 32.115 31.700 0.218 0.000 0.784 180 A N -0.285 122.621 122.820 0.143 0.000 1.969 180 A HA -0.145 4.253 4.320 0.130 0.000 0.218 180 A C 1.901 179.490 177.584 0.008 0.000 1.169 180 A CA 1.500 53.601 52.037 0.107 0.000 0.635 180 A CB -0.732 18.343 19.000 0.125 0.000 0.810 180 A HN 0.174 nan 8.150 nan 0.000 0.445 181 K N -0.815 119.561 120.400 -0.041 0.000 2.373 181 K HA 0.153 4.551 4.320 0.130 0.000 0.202 181 K C -0.562 175.902 176.600 -0.227 0.000 1.025 181 K CA -0.222 56.011 56.287 -0.090 0.000 1.115 181 K CB 0.357 32.833 32.500 -0.040 0.000 0.858 181 K HN 0.316 nan 8.250 nan 0.000 0.525 182 K N 1.520 121.658 120.400 -0.436 0.000 3.311 182 K HA -0.238 4.160 4.320 0.130 0.000 0.270 182 K C -0.423 175.781 176.600 -0.661 0.000 0.927 182 K CA 0.621 56.260 56.287 -1.080 0.000 0.706 182 K CB -1.073 30.778 32.500 -1.081 0.000 1.418 182 K HN 0.282 nan 8.250 nan 0.000 0.459 183 R N 0.446 120.813 120.500 -0.222 0.000 2.628 183 R HA 0.340 4.758 4.340 0.130 0.000 0.288 183 R C -0.665 175.749 176.300 0.191 0.000 0.980 183 R CA -0.731 55.395 56.100 0.043 0.000 0.891 183 R CB 1.638 31.951 30.300 0.022 0.000 1.188 183 R HN 0.009 nan 8.270 nan 0.000 0.450 184 V N 3.603 123.596 119.914 0.132 0.000 2.455 184 V HA 0.046 4.243 4.120 0.130 0.000 0.273 184 V C 1.274 177.321 176.094 -0.078 0.000 1.045 184 V CA 0.197 62.449 62.300 -0.080 0.000 0.976 184 V CB 1.168 32.756 31.823 -0.391 0.000 0.993 184 V HN 0.972 nan 8.190 nan 0.000 0.475 185 S N 3.904 119.553 115.700 -0.086 0.000 2.348 185 S HA 0.020 4.568 4.470 0.130 0.000 0.219 185 S C 0.880 175.448 174.600 -0.053 0.000 1.033 185 S CA 0.951 59.137 58.200 -0.024 0.000 0.974 185 S CB 0.171 63.355 63.200 -0.027 0.000 0.868 185 S HN 1.019 nan 8.310 nan 0.000 0.459 186 S N -1.258 114.324 115.700 -0.196 0.000 2.656 186 S HA 0.703 5.251 4.470 0.130 0.000 0.273 186 S C -1.436 172.927 174.600 -0.395 0.000 1.168 186 S CA -0.931 57.167 58.200 -0.171 0.000 0.817 186 S CB 0.924 64.117 63.200 -0.012 0.000 1.146 186 S HN 0.227 nan 8.310 nan 0.000 0.475 187 F N 0.836 120.816 119.950 0.051 0.000 2.493 187 F HA 0.526 5.131 4.527 0.130 0.000 0.329 187 F C 0.349 176.185 175.800 0.060 0.000 1.126 187 F CA -0.502 57.524 58.000 0.043 0.000 0.937 187 F CB 1.900 40.919 39.000 0.031 0.000 1.146 187 F HN 0.775 nan 8.300 nan 0.000 0.442 188 E N 2.567 122.915 120.200 0.247 0.000 2.200 188 E HA 0.599 5.027 4.350 0.130 0.000 0.283 188 E C -0.884 175.836 176.600 0.200 0.000 1.015 188 E CA -0.718 55.794 56.400 0.188 0.000 0.819 188 E CB 1.174 30.964 29.700 0.150 0.000 1.081 188 E HN 0.714 nan 8.360 nan 0.000 0.397 189 A N 5.695 128.616 122.820 0.168 0.000 2.354 189 A HA 0.397 4.794 4.320 0.130 0.000 0.281 189 A C -0.686 177.107 177.584 0.349 0.000 1.174 189 A CA -0.344 51.814 52.037 0.202 0.000 0.828 189 A CB 0.083 19.047 19.000 -0.060 0.000 1.099 189 A HN 0.672 nan 8.150 nan 0.000 0.516 190 L N 3.796 125.268 121.223 0.416 0.000 2.349 190 L HA 0.442 4.860 4.340 0.130 0.000 0.278 190 L C 0.050 177.024 176.870 0.172 0.000 0.996 190 L CA -0.435 54.582 54.840 0.295 0.000 0.825 190 L CB 1.673 43.848 42.059 0.193 0.000 1.243 190 L HN 0.722 nan 8.230 nan 0.000 0.412 191 I N 3.689 124.246 120.570 -0.021 0.000 2.754 191 I HA 0.167 4.415 4.170 0.130 0.000 0.285 191 I C -0.182 175.764 176.117 -0.284 0.000 1.166 191 I CA 0.111 61.087 61.300 -0.540 0.000 1.417 191 I CB 0.106 37.889 38.000 -0.362 0.000 1.382 191 I HN 0.629 nan 8.210 nan 0.000 0.588 192 R N 4.403 124.678 120.500 -0.376 0.000 2.808 192 R HA 0.348 4.766 4.340 0.130 0.000 0.272 192 R C -0.741 175.451 176.300 -0.180 0.000 0.995 192 R CA -0.719 55.272 56.100 -0.183 0.000 0.917 192 R CB 1.828 32.057 30.300 -0.117 0.000 1.217 192 R HN 0.753 nan 8.270 nan 0.000 0.471 193 S N 0.644 116.279 115.700 -0.107 0.000 2.600 193 S HA 0.214 4.762 4.470 0.130 0.000 0.265 193 S C -1.689 172.868 174.600 -0.072 0.000 1.325 193 S CA -0.824 57.319 58.200 -0.096 0.000 1.002 193 S CB 1.013 64.170 63.200 -0.072 0.000 0.921 193 S HN 0.276 nan 8.310 nan 0.000 0.554 194 P HA -0.055 nan 4.420 nan 0.000 0.217 194 P C 0.959 178.304 177.300 0.075 0.000 1.148 194 P CA 1.368 64.461 63.100 -0.010 0.000 0.828 194 P CB -0.330 31.363 31.700 -0.011 0.000 0.783 195 T N -2.526 112.043 114.554 0.024 0.000 3.148 195 T HA 0.277 4.705 4.350 0.130 0.000 0.253 195 T C 1.394 176.106 174.700 0.019 0.000 1.134 195 T CA 0.674 62.785 62.100 0.018 0.000 1.051 195 T CB -0.518 68.341 68.868 -0.014 0.000 0.959 195 T HN 0.270 nan 8.240 nan 0.000 0.525 196 G N 1.176 109.987 108.800 0.019 0.000 2.132 196 G HA2 -0.108 3.930 3.960 0.130 0.000 0.228 196 G HA3 -0.108 3.930 3.960 0.130 0.000 0.228 196 G C 0.375 175.272 174.900 -0.005 0.000 1.000 196 G CA -0.389 44.718 45.100 0.011 0.000 0.693 196 G HN 0.863 nan 8.290 nan 0.000 0.515 197 G N 0.007 108.797 108.800 -0.016 0.000 2.580 197 G HA2 0.684 4.721 3.960 0.130 0.000 0.278 197 G HA3 0.684 4.721 3.960 0.130 0.000 0.278 197 G C 0.846 175.741 174.900 -0.008 0.000 1.212 197 G CA 0.789 45.882 45.100 -0.012 0.000 0.939 197 G HN 1.662 nan 8.290 nan 0.000 0.513 198 S N 0.140 115.845 115.700 0.009 0.000 2.580 198 S HA 0.140 4.688 4.470 0.130 0.000 0.266 198 S C -1.467 173.157 174.600 0.040 0.000 1.354 198 S CA -0.455 57.763 58.200 0.030 0.000 1.008 198 S CB 1.239 64.463 63.200 0.040 0.000 0.898 198 S HN 0.249 nan 8.310 nan 0.000 0.555 199 P HA -0.077 nan 4.420 nan 0.000 0.216 199 P C 1.537 178.974 177.300 0.228 0.000 1.150 199 P CA 0.666 63.864 63.100 0.164 0.000 0.837 199 P CB -0.139 31.668 31.700 0.179 0.000 0.786 200 V N -0.013 119.981 119.914 0.132 0.000 2.358 200 V HA -0.238 3.960 4.120 0.130 0.000 0.246 200 V C 2.474 178.615 176.094 0.079 0.000 1.047 200 V CA 1.902 64.265 62.300 0.105 0.000 1.035 200 V CB -1.088 30.767 31.823 0.053 0.000 0.658 200 V HN 0.192 nan 8.190 nan 0.000 0.452 201 E N -0.476 119.749 120.200 0.042 0.000 2.110 201 E HA -0.296 4.132 4.350 0.130 0.000 0.193 201 E C 2.110 178.691 176.600 -0.031 0.000 0.988 201 E CA 1.789 58.190 56.400 0.002 0.000 0.804 201 E CB -0.089 29.607 29.700 -0.007 0.000 0.745 201 E HN 0.544 nan 8.360 nan 0.000 0.458 202 M N -0.495 119.083 119.600 -0.036 0.000 2.098 202 M HA -0.062 4.496 4.480 0.130 0.000 0.262 202 M C 1.523 177.681 176.300 -0.236 0.000 1.072 202 M CA 1.586 56.795 55.300 -0.152 0.000 1.133 202 M CB -0.297 32.193 32.600 -0.184 0.000 1.344 202 M HN 0.102 nan 8.290 nan 0.000 0.414 203 F N 0.336 120.228 119.950 -0.097 0.000 2.365 203 F HA 0.046 4.651 4.527 0.130 0.000 0.300 203 F C 2.335 178.046 175.800 -0.147 0.000 1.090 203 F CA 1.139 59.064 58.000 -0.125 0.000 1.408 203 F CB -0.845 38.124 39.000 -0.051 0.000 1.060 203 F HN 0.299 nan 8.300 nan 0.000 0.534 204 A N -0.303 122.540 122.820 0.039 0.000 2.014 204 A HA 0.055 4.453 4.320 0.130 0.000 0.218 204 A C 2.326 179.866 177.584 -0.073 0.000 1.163 204 A CA 1.290 53.319 52.037 -0.013 0.000 0.652 204 A CB -0.961 18.034 19.000 -0.008 0.000 0.808 204 A HN 0.258 nan 8.150 nan 0.000 0.449 205 A N -0.656 122.086 122.820 -0.129 0.000 2.067 205 A HA 0.255 4.653 4.320 0.130 0.000 0.217 205 A C 0.805 178.262 177.584 -0.213 0.000 1.156 205 A CA 0.381 52.320 52.037 -0.164 0.000 0.683 205 A CB -0.198 18.688 19.000 -0.189 0.000 0.808 205 A HN 0.345 nan 8.150 nan 0.000 0.455 206 I N 0.400 120.807 120.570 -0.272 0.000 2.396 206 I HA 0.415 4.663 4.170 0.130 0.000 0.292 206 I C 0.847 176.877 176.117 -0.145 0.000 0.999 206 I CA -0.940 60.184 61.300 -0.294 0.000 1.310 206 I CB 0.496 38.202 38.000 -0.489 0.000 1.404 206 I HN 0.190 nan 8.210 nan 0.000 0.496 207 A N 4.475 127.228 122.820 -0.112 0.000 2.498 207 A HA 0.411 4.808 4.320 0.130 0.000 0.239 207 A C 1.425 178.971 177.584 -0.064 0.000 1.068 207 A CA 0.401 52.396 52.037 -0.070 0.000 0.766 207 A CB 0.265 19.235 19.000 -0.050 0.000 1.003 207 A HN 0.980 nan 8.150 nan 0.000 0.497 208 A N 1.388 124.172 122.820 -0.060 0.000 1.948 208 A HA -0.188 4.210 4.320 0.130 0.000 0.220 208 A C 1.809 179.332 177.584 -0.103 0.000 1.177 208 A CA 1.932 53.920 52.037 -0.082 0.000 0.636 208 A CB -0.486 18.475 19.000 -0.065 0.000 0.815 208 A HN 0.903 nan 8.150 nan 0.000 0.449 209 E N 0.007 120.176 120.200 -0.052 0.000 2.347 209 E HA -0.136 4.292 4.350 0.130 0.000 0.196 209 E C 0.053 176.652 176.600 -0.002 0.000 1.008 209 E CA 1.330 57.720 56.400 -0.016 0.000 0.852 209 E CB -0.500 29.211 29.700 0.018 0.000 0.783 209 E HN 0.660 nan 8.360 nan 0.000 0.505 210 D N 0.308 120.694 120.400 -0.023 0.000 2.363 210 D HA 0.144 4.862 4.640 0.130 0.000 0.214 210 D C 1.470 177.771 176.300 0.003 0.000 1.093 210 D CA -0.123 53.874 54.000 -0.004 0.000 0.837 210 D CB 0.272 41.077 40.800 0.007 0.000 0.948 210 D HN 0.028 nan 8.370 nan 0.000 0.507 211 R N -0.394 120.076 120.500 -0.051 0.000 2.148 211 R HA -0.054 4.364 4.340 0.130 0.000 0.223 211 R C 1.060 177.418 176.300 0.097 0.000 1.088 211 R CA 0.892 57.019 56.100 0.046 0.000 0.985 211 R CB 0.005 30.264 30.300 -0.069 0.000 0.880 211 R HN 0.240 nan 8.270 nan 0.000 0.451 212 Y N 0.142 120.450 120.300 0.013 0.000 2.286 212 Y HA -0.019 4.611 4.550 0.133 0.000 0.293 212 Y C 2.381 178.127 175.900 -0.258 0.000 1.124 212 Y CA 0.627 58.674 58.100 -0.088 0.000 1.178 212 Y CB -0.343 38.057 38.460 -0.099 0.000 1.010 212 Y HN -0.059 nan 8.280 nan 0.000 0.536 213 R N -0.387 119.925 120.500 -0.313 0.000 2.075 213 R HA -0.187 4.231 4.340 0.130 0.000 0.232 213 R C 2.174 178.436 176.300 -0.062 0.000 1.126 213 R CA 1.429 57.294 56.100 -0.391 0.000 0.963 213 R CB -0.747 29.354 30.300 -0.333 0.000 0.858 213 R HN 0.353 nan 8.270 nan 0.000 0.435 214 F N 1.727 121.636 119.950 -0.067 0.000 2.146 214 F HA -0.189 4.416 4.527 0.130 0.000 0.298 214 F C 1.987 177.812 175.800 0.041 0.000 1.096 214 F CA 1.955 59.938 58.000 -0.028 0.000 1.275 214 F CB -0.231 38.722 39.000 -0.078 0.000 1.008 214 F HN 0.102 nan 8.300 nan 0.000 0.480 215 D N 0.264 120.824 120.400 0.267 0.000 2.117 215 D HA -0.203 4.515 4.640 0.130 0.000 0.197 215 D C 2.101 178.469 176.300 0.115 0.000 0.987 215 D CA 1.343 55.532 54.000 0.314 0.000 0.829 215 D CB -0.273 40.809 40.800 0.469 0.000 0.961 215 D HN 0.339 nan 8.370 nan 0.000 0.460 216 L N 0.617 121.867 121.223 0.044 0.000 2.044 216 L HA 0.014 4.432 4.340 0.130 0.000 0.205 216 L C 1.923 178.768 176.870 -0.041 0.000 1.075 216 L CA 1.626 56.472 54.840 0.011 0.000 0.747 216 L CB -0.336 41.695 42.059 -0.046 0.000 0.903 216 L HN -0.002 nan 8.230 nan 0.000 0.435 217 E N -0.917 119.165 120.200 -0.198 0.000 2.358 217 E HA -0.098 4.330 4.350 0.130 0.000 0.195 217 E C 2.079 178.678 176.600 -0.000 0.000 1.010 217 E CA 0.867 57.158 56.400 -0.180 0.000 0.856 217 E CB -0.019 29.530 29.700 -0.252 0.000 0.795 217 E HN 0.685 nan 8.360 nan 0.000 0.504 218 S N 0.908 116.516 115.700 -0.153 0.000 2.481 218 S HA -0.041 4.507 4.470 0.130 0.000 0.231 218 S C 1.704 176.424 174.600 0.200 0.000 0.996 218 S CA 0.449 58.629 58.200 -0.034 0.000 0.942 218 S CB 0.044 63.033 63.200 -0.351 0.000 0.768 218 S HN -0.004 nan 8.310 nan 0.000 0.520 219 K N 1.906 122.319 120.400 0.022 0.000 2.283 219 K HA 0.270 4.668 4.320 0.130 0.000 0.202 219 K C 2.241 178.485 176.600 -0.593 0.000 1.048 219 K CA 1.001 57.075 56.287 -0.356 0.000 0.948 219 K CB -1.115 31.147 32.500 -0.395 0.000 0.742 219 K HN 0.520 nan 8.250 nan 0.000 0.458 220 A N 0.371 123.062 122.820 -0.213 0.000 1.940 220 A HA -0.179 4.219 4.320 0.130 0.000 0.219 220 A C 1.787 179.186 177.584 -0.309 0.000 1.176 220 A CA 1.282 53.166 52.037 -0.254 0.000 0.631 220 A CB -0.639 18.196 19.000 -0.275 0.000 0.814 220 A HN 0.289 nan 8.150 nan 0.000 0.446 221 Y N -0.505 119.766 120.300 -0.048 0.000 2.395 221 Y HA 0.144 4.772 4.550 0.130 0.000 0.293 221 Y C 2.745 178.558 175.900 -0.144 0.000 1.123 221 Y CA 0.442 58.541 58.100 -0.002 0.000 1.227 221 Y CB -0.451 38.089 38.460 0.133 0.000 1.012 221 Y HN 0.311 nan 8.280 nan 0.000 0.552 222 A N -0.170 122.402 122.820 -0.413 0.000 1.897 222 A HA -0.081 4.317 4.320 0.130 0.000 0.215 222 A C 1.769 179.168 177.584 -0.310 0.000 1.181 222 A CA 1.167 52.726 52.037 -0.797 0.000 0.620 222 A CB -0.969 17.134 19.000 -1.495 0.000 0.821 222 A HN 0.338 nan 8.150 nan 0.000 0.443 223 F N 0.372 120.189 119.950 -0.223 0.000 2.146 223 F HA -0.040 4.563 4.527 0.127 0.000 0.298 223 F C 2.810 178.537 175.800 -0.122 0.000 1.096 223 F CA 0.342 58.246 58.000 -0.160 0.000 1.275 223 F CB -1.142 37.754 39.000 -0.174 0.000 1.008 223 F HN 0.264 nan 8.300 nan 0.000 0.480 224 A N -0.228 122.634 122.820 0.071 0.000 1.933 224 A HA -0.139 4.258 4.320 0.130 0.000 0.218 224 A C 2.188 179.791 177.584 0.031 0.000 1.175 224 A CA 1.417 53.474 52.037 0.034 0.000 0.628 224 A CB -1.044 17.971 19.000 0.026 0.000 0.814 224 A HN 0.333 nan 8.150 nan 0.000 0.444 225 L N -0.435 120.802 121.223 0.023 0.000 2.056 225 L HA 0.019 4.437 4.340 0.130 0.000 0.207 225 L C 2.671 179.534 176.870 -0.011 0.000 1.078 225 L CA 2.064 56.909 54.840 0.008 0.000 0.749 225 L CB -0.660 41.402 42.059 0.005 0.000 0.901 225 L HN 0.315 nan 8.230 nan 0.000 0.433 226 A N -0.704 122.116 122.820 -0.001 0.000 1.930 226 A HA -0.025 4.373 4.320 0.130 0.000 0.217 226 A C 2.297 179.892 177.584 0.019 0.000 1.175 226 A CA 1.391 53.436 52.037 0.013 0.000 0.627 226 A CB -1.462 17.578 19.000 0.067 0.000 0.815 226 A HN 0.518 nan 8.150 nan 0.000 0.443 227 G N 0.055 108.867 108.800 0.019 0.000 2.402 227 G HA2 -0.191 3.847 3.960 0.130 0.000 0.216 227 G HA3 -0.191 3.847 3.960 0.130 0.000 0.216 227 G C 1.467 176.369 174.900 0.002 0.000 1.162 227 G CA 0.934 46.037 45.100 0.004 0.000 0.777 227 G HN 0.763 nan 8.290 nan 0.000 0.539 228 Q N -0.119 119.681 119.800 0.001 0.000 2.247 228 Q HA 0.319 4.737 4.340 0.130 0.000 0.205 228 Q C 1.814 177.812 176.000 -0.004 0.000 0.896 228 Q CA -0.233 55.570 55.803 0.000 0.000 0.950 228 Q CB 0.095 28.835 28.738 0.003 0.000 1.054 228 Q HN 0.331 nan 8.270 nan 0.000 0.482 229 L N 1.814 123.032 121.223 -0.009 0.000 2.068 229 L HA 0.145 4.563 4.340 0.130 0.000 0.204 229 L C -1.211 175.657 176.870 -0.003 0.000 1.076 229 L CA 0.938 55.762 54.840 -0.027 0.000 0.753 229 L CB -0.809 41.210 42.059 -0.066 0.000 0.910 229 L HN 0.337 nan 8.230 nan 0.000 0.439 230 P HA 0.111 nan 4.420 nan 0.000 0.279 230 P C 0.734 178.083 177.300 0.081 0.000 1.252 230 P CA -0.408 62.714 63.100 0.037 0.000 0.811 230 P CB 1.255 32.977 31.700 0.037 0.000 1.035 231 L N 0.949 122.229 121.223 0.095 0.000 2.072 231 L HA 0.110 4.528 4.340 0.130 0.000 0.205 231 L C 1.555 178.575 176.870 0.250 0.000 1.079 231 L CA 2.606 57.559 54.840 0.188 0.000 0.752 231 L CB -1.342 40.807 42.059 0.150 0.000 0.906 231 L HN 0.923 nan 8.230 nan 0.000 0.436 232 G N -0.295 108.571 108.800 0.109 0.000 2.559 232 G HA2 -0.404 3.633 3.960 0.130 0.000 0.282 232 G HA3 -0.404 3.633 3.960 0.130 0.000 0.282 232 G C 0.731 175.591 174.900 -0.067 0.000 1.177 232 G CA 0.406 45.521 45.100 0.025 0.000 0.960 232 G HN 0.324 nan 8.290 nan 0.000 0.540 233 K N 1.574 121.813 120.400 -0.269 0.000 2.576 233 K HA 0.352 4.750 4.320 0.130 0.000 0.209 233 K C -0.028 176.369 176.600 -0.338 0.000 1.049 233 K CA -0.033 56.084 56.287 -0.283 0.000 1.140 233 K CB 0.390 32.729 32.500 -0.268 0.000 0.871 233 K HN 0.647 nan 8.250 nan 0.000 0.479 234 H N -0.045 119.069 119.070 0.073 0.000 2.573 234 H HA 0.243 4.877 4.556 0.129 0.000 0.351 234 H C -0.070 175.307 175.328 0.081 0.000 1.163 234 H CA -0.771 55.321 56.048 0.073 0.000 1.205 234 H CB 1.369 31.211 29.762 0.133 0.000 1.605 234 H HN -0.056 nan 8.280 nan 0.000 0.525 235 Q N 0.688 120.598 119.800 0.184 0.000 2.308 235 Q HA 0.435 4.852 4.340 0.130 0.000 0.207 235 Q C -1.105 174.999 176.000 0.173 0.000 1.035 235 Q CA -0.867 55.016 55.803 0.133 0.000 1.008 235 Q CB 1.477 30.266 28.738 0.084 0.000 1.168 235 Q HN 0.351 nan 8.270 nan 0.000 0.565 236 L N 0.174 121.486 121.223 0.149 0.000 2.661 236 L HA 0.486 4.904 4.340 0.130 0.000 0.263 236 L C -1.728 175.229 176.870 0.144 0.000 0.956 236 L CA -0.091 54.850 54.840 0.169 0.000 0.918 236 L CB 1.505 43.675 42.059 0.184 0.000 1.280 236 L HN 0.622 nan 8.230 nan 0.000 0.416 237 A N 5.905 128.802 122.820 0.129 0.000 2.320 237 A HA 0.591 4.988 4.320 0.130 0.000 0.287 237 A C 0.526 178.174 177.584 0.105 0.000 1.181 237 A CA -0.400 51.708 52.037 0.118 0.000 0.831 237 A CB -0.012 19.055 19.000 0.110 0.000 1.102 237 A HN 1.338 nan 8.150 nan 0.000 0.513 238 I N 0.948 121.553 120.570 0.059 0.000 3.173 238 I HA -0.235 4.013 4.170 0.130 0.000 0.282 238 I C -0.621 175.563 176.117 0.112 0.000 0.998 238 I CA 0.883 62.221 61.300 0.065 0.000 2.258 238 I CB -0.211 37.777 38.000 -0.021 0.000 0.945 238 I HN 0.616 nan 8.210 nan 0.000 0.387 239 N N 7.512 126.294 118.700 0.138 0.000 2.443 239 N HA 0.752 5.570 4.740 0.130 0.000 0.295 239 N C -0.813 174.779 175.510 0.137 0.000 1.076 239 N CA -0.626 52.505 53.050 0.134 0.000 0.919 239 N CB 2.430 41.001 38.487 0.140 0.000 1.176 239 N HN 0.560 nan 8.380 nan 0.000 0.487 240 L N 1.621 122.913 121.223 0.114 0.000 2.445 240 L HA 0.436 4.854 4.340 0.130 0.000 0.262 240 L C -0.503 176.407 176.870 0.067 0.000 0.974 240 L CA -0.764 54.138 54.840 0.103 0.000 0.822 240 L CB 2.486 44.602 42.059 0.095 0.000 1.339 240 L HN 0.269 nan 8.230 nan 0.000 0.409 241 L N 3.510 124.767 121.223 0.057 0.000 2.426 241 L HA 0.149 4.567 4.340 0.130 0.000 0.271 241 L C -1.420 175.396 176.870 -0.090 0.000 1.169 241 L CA -1.302 53.552 54.840 0.024 0.000 0.836 241 L CB 0.570 42.708 42.059 0.132 0.000 1.112 241 L HN 0.412 nan 8.230 nan 0.000 0.465 242 P HA -0.137 nan 4.420 nan 0.000 0.216 242 P C 1.409 178.158 177.300 -0.919 0.000 1.150 242 P CA 1.222 64.109 63.100 -0.354 0.000 0.837 242 P CB 0.171 31.792 31.700 -0.132 0.000 0.786 243 G N 0.042 108.399 108.800 -0.738 0.000 2.422 243 G HA2 -0.255 3.783 3.960 0.130 0.000 0.218 243 G HA3 -0.255 3.783 3.960 0.130 0.000 0.218 243 G C 1.676 176.035 174.900 -0.902 0.000 1.146 243 G CA 1.234 45.658 45.100 -1.126 0.000 0.769 243 G HN 0.412 nan 8.290 nan 0.000 0.547 244 S N 0.266 115.660 115.700 -0.510 0.000 2.447 244 S HA 0.069 4.617 4.470 0.130 0.000 0.233 244 S C 2.200 176.731 174.600 -0.114 0.000 1.006 244 S CA 0.814 58.937 58.200 -0.128 0.000 0.957 244 S CB -0.227 63.007 63.200 0.057 0.000 0.773 244 S HN 0.287 nan 8.310 nan 0.000 0.507 245 L N -0.796 120.265 121.223 -0.270 0.000 2.341 245 L HA 0.134 4.552 4.340 0.130 0.000 0.214 245 L C 1.943 178.775 176.870 -0.064 0.000 1.115 245 L CA 0.662 55.397 54.840 -0.175 0.000 0.820 245 L CB -0.342 41.577 42.059 -0.232 0.000 0.944 245 L HN 0.281 nan 8.230 nan 0.000 0.452 246 Y N -2.442 117.842 120.300 -0.027 0.000 2.448 246 Y HA -0.054 4.570 4.550 0.122 0.000 0.289 246 Y C 2.565 178.445 175.900 -0.033 0.000 1.114 246 Y CA -0.042 58.037 58.100 -0.036 0.000 1.235 246 Y CB -1.105 37.315 38.460 -0.068 0.000 1.045 246 Y HN 0.183 nan 8.280 nan 0.000 0.554 247 H N 0.327 119.374 119.070 -0.039 0.000 2.362 247 H HA -0.179 4.454 4.556 0.128 0.000 0.294 247 H C -0.367 174.809 175.328 -0.253 0.000 1.113 247 H CA 2.069 58.029 56.048 -0.147 0.000 1.253 247 H CB -0.047 29.607 29.762 -0.181 0.000 1.363 247 H HN 0.368 nan 8.280 nan 0.000 0.494 248 H N -0.710 118.391 119.070 0.052 0.000 2.524 248 H HA 0.151 4.784 4.556 0.128 0.000 0.353 248 H C -1.350 173.997 175.328 0.030 0.000 1.136 248 H CA -1.801 54.243 56.048 -0.006 0.000 1.193 248 H CB 2.002 31.775 29.762 0.018 0.000 1.558 248 H HN 0.152 nan 8.280 nan 0.000 0.515 249 P HA -0.139 nan 4.420 nan 0.000 0.220 249 P C 0.391 177.751 177.300 0.101 0.000 1.148 249 P CA 1.204 64.363 63.100 0.098 0.000 0.803 249 P CB 0.398 32.137 31.700 0.065 0.000 0.782 250 D N -0.989 119.482 120.400 0.119 0.000 2.615 250 D HA 0.222 4.940 4.640 0.130 0.000 0.236 250 D C 1.272 177.676 176.300 0.174 0.000 1.233 250 D CA -0.458 53.611 54.000 0.115 0.000 0.829 250 D CB -0.113 40.741 40.800 0.090 0.000 1.024 250 D HN -0.026 nan 8.370 nan 0.000 0.490 251 A N 0.332 123.266 122.820 0.190 0.000 1.883 251 A HA -0.132 4.265 4.320 0.130 0.000 0.217 251 A C 2.234 179.966 177.584 0.247 0.000 1.186 251 A CA 1.564 53.739 52.037 0.230 0.000 0.624 251 A CB -0.713 18.397 19.000 0.183 0.000 0.822 251 A HN 0.215 nan 8.150 nan 0.000 0.444 252 V N -0.136 119.873 119.914 0.158 0.000 2.343 252 V HA -0.174 4.024 4.120 0.130 0.000 0.247 252 V C 2.805 178.968 176.094 0.115 0.000 1.051 252 V CA 1.955 64.326 62.300 0.118 0.000 1.036 252 V CB -1.458 30.397 31.823 0.053 0.000 0.654 252 V HN 0.623 nan 8.190 nan 0.000 0.451 253 G N -1.667 107.200 108.800 0.113 0.000 2.432 253 G HA2 -0.312 3.726 3.960 0.130 0.000 0.219 253 G HA3 -0.312 3.726 3.960 0.130 0.000 0.219 253 G C 1.374 176.340 174.900 0.111 0.000 1.135 253 G CA 0.669 45.819 45.100 0.084 0.000 0.767 253 G HN 0.640 nan 8.290 nan 0.000 0.550 254 W N 0.959 122.267 121.300 0.015 0.000 2.409 254 W HA 0.105 4.841 4.660 0.126 0.000 0.299 254 W C 2.282 178.829 176.519 0.047 0.000 1.203 254 W CA 0.871 58.227 57.345 0.018 0.000 1.298 254 W CB -0.181 29.290 29.460 0.019 0.000 1.127 254 W HN 0.111 nan 8.180 nan 0.000 0.528 255 L N -0.005 121.378 121.223 0.267 0.000 2.046 255 L HA -0.318 4.100 4.340 0.130 0.000 0.208 255 L C 2.674 179.484 176.870 -0.101 0.000 1.077 255 L CA 1.184 56.124 54.840 0.167 0.000 0.747 255 L CB -0.890 41.354 42.059 0.308 0.000 0.896 255 L HN 0.030 nan 8.230 nan 0.000 0.432 256 M N -0.313 119.233 119.600 -0.089 0.000 2.082 256 M HA -0.277 4.281 4.480 0.130 0.000 0.258 256 M C 1.988 178.143 176.300 -0.241 0.000 1.071 256 M CA 1.988 57.193 55.300 -0.158 0.000 1.103 256 M CB -1.162 31.385 32.600 -0.088 0.000 1.307 256 M HN 0.223 nan 8.290 nan 0.000 0.409 257 D N -0.325 119.925 120.400 -0.249 0.000 2.149 257 D HA -0.125 4.593 4.640 0.130 0.000 0.198 257 D C 2.131 178.205 176.300 -0.377 0.000 0.990 257 D CA 1.497 55.326 54.000 -0.285 0.000 0.839 257 D CB -0.304 40.331 40.800 -0.275 0.000 0.948 257 D HN 0.284 nan 8.370 nan 0.000 0.460 258 S N -0.333 115.047 115.700 -0.533 0.000 2.368 258 S HA -0.098 4.450 4.470 0.130 0.000 0.224 258 S C 1.940 176.327 174.600 -0.355 0.000 1.029 258 S CA 0.966 58.872 58.200 -0.491 0.000 0.988 258 S CB -0.136 62.662 63.200 -0.670 0.000 0.838 258 S HN 0.291 nan 8.310 nan 0.000 0.462 259 L N 0.168 121.007 121.223 -0.641 0.000 2.131 259 L HA 0.256 4.674 4.340 0.130 0.000 0.206 259 L C 2.130 178.732 176.870 -0.448 0.000 1.087 259 L CA 1.353 55.651 54.840 -0.903 0.000 0.767 259 L CB -0.877 40.342 42.059 -1.401 0.000 0.917 259 L HN 0.209 nan 8.230 nan 0.000 0.441 260 L N 0.610 121.628 121.223 -0.341 0.000 2.093 260 L HA -0.056 4.362 4.340 0.130 0.000 0.208 260 L C 2.880 179.643 176.870 -0.178 0.000 1.085 260 L CA 1.069 55.776 54.840 -0.222 0.000 0.755 260 L CB -0.811 41.138 42.059 -0.183 0.000 0.904 260 L HN 0.438 nan 8.230 nan 0.000 0.435 261 A N -0.249 122.457 122.820 -0.190 0.000 2.121 261 A HA 0.036 4.434 4.320 0.130 0.000 0.218 261 A C 2.201 179.714 177.584 -0.119 0.000 1.154 261 A CA 1.355 53.306 52.037 -0.144 0.000 0.679 261 A CB -0.419 18.488 19.000 -0.155 0.000 0.795 261 A HN 0.379 nan 8.150 nan 0.000 0.458 262 A N -1.862 120.876 122.820 -0.137 0.000 2.308 262 A HA 0.455 4.852 4.320 0.130 0.000 0.217 262 A C 1.571 179.103 177.584 -0.086 0.000 1.216 262 A CA 0.957 52.939 52.037 -0.090 0.000 0.864 262 A CB -0.661 18.305 19.000 -0.058 0.000 0.902 262 A HN 1.768 nan 8.150 nan 0.000 0.499 263 G N -0.719 108.017 108.800 -0.106 0.000 2.149 263 G HA2 -0.195 3.843 3.960 0.130 0.000 0.235 263 G HA3 -0.195 3.843 3.960 0.130 0.000 0.235 263 G C -0.038 174.807 174.900 -0.092 0.000 1.018 263 G CA 0.442 45.492 45.100 -0.085 0.000 0.728 263 G HN 0.448 nan 8.290 nan 0.000 0.508 264 L N -0.689 120.450 121.223 -0.140 0.000 2.332 264 L HA 0.801 5.218 4.340 0.130 0.000 0.269 264 L C 0.722 177.501 176.870 -0.153 0.000 1.016 264 L CA -1.417 53.337 54.840 -0.143 0.000 0.809 264 L CB 1.011 42.948 42.059 -0.204 0.000 1.280 264 L HN -0.058 nan 8.230 nan 0.000 0.447 265 R N 0.742 121.170 120.500 -0.119 0.000 2.668 265 R HA 0.335 4.753 4.340 0.130 0.000 0.279 265 R C -1.859 174.371 176.300 -0.117 0.000 0.976 265 R CA -2.335 53.701 56.100 -0.107 0.000 0.978 265 R CB 1.043 31.301 30.300 -0.069 0.000 1.133 265 R HN 0.224 nan 8.270 nan 0.000 0.484 266 P HA -0.162 nan 4.420 nan 0.000 0.215 266 P C 0.448 177.717 177.300 -0.052 0.000 1.157 266 P CA 1.377 64.422 63.100 -0.092 0.000 0.868 266 P CB 0.155 31.811 31.700 -0.072 0.000 0.788 267 D N -0.761 119.616 120.400 -0.038 0.000 2.378 267 D HA -0.182 4.536 4.640 0.130 0.000 0.222 267 D C 1.726 178.023 176.300 -0.006 0.000 0.980 267 D CA 0.611 54.602 54.000 -0.016 0.000 0.907 267 D CB -0.475 40.315 40.800 -0.016 0.000 0.899 267 D HN 0.327 nan 8.370 nan 0.000 0.527 268 Q N 0.309 120.100 119.800 -0.015 0.000 2.402 268 Q HA 0.082 4.500 4.340 0.130 0.000 0.206 268 Q C -0.036 175.984 176.000 0.033 0.000 0.919 268 Q CA 0.123 55.930 55.803 0.007 0.000 0.923 268 Q CB 0.764 29.497 28.738 -0.009 0.000 1.048 268 Q HN 0.046 nan 8.270 nan 0.000 0.515 269 V N 1.846 121.771 119.914 0.018 0.000 2.435 269 V HA 0.362 4.560 4.120 0.130 0.000 0.290 269 V C -0.537 175.605 176.094 0.081 0.000 1.030 269 V CA -0.623 61.716 62.300 0.065 0.000 0.881 269 V CB 1.488 33.334 31.823 0.038 0.000 0.983 269 V HN 0.214 nan 8.190 nan 0.000 0.445 270 L N 5.894 127.182 121.223 0.108 0.000 2.362 270 L HA 0.657 5.074 4.340 0.130 0.000 0.275 270 L C -0.913 176.030 176.870 0.120 0.000 0.998 270 L CA -0.450 54.451 54.840 0.102 0.000 0.820 270 L CB 1.461 43.574 42.059 0.090 0.000 1.270 270 L HN 0.449 nan 8.230 nan 0.000 0.415 271 I N 3.852 124.494 120.570 0.120 0.000 2.321 271 I HA 0.391 4.639 4.170 0.130 0.000 0.291 271 I C 0.217 176.415 176.117 0.134 0.000 0.998 271 I CA -0.279 61.098 61.300 0.128 0.000 1.227 271 I CB 1.162 39.236 38.000 0.123 0.000 1.368 271 I HN 0.751 nan 8.210 nan 0.000 0.466 284 Q N -0.715 119.026 119.800 -0.100 0.000 2.905 284 Q HA -0.303 4.115 4.340 0.130 0.000 0.188 284 Q C 1.234 177.168 176.000 -0.110 0.000 2.676 284 Q CA 2.212 57.854 55.803 -0.268 0.000 0.553 284 Q CB -1.754 26.584 28.738 -0.666 0.000 0.513 284 Q HN 0.616 nan 8.270 nan 0.000 0.638 285 F N 1.604 121.522 119.950 -0.054 0.000 2.234 285 F HA -0.059 4.538 4.527 0.116 0.000 0.299 285 F C 2.530 178.327 175.800 -0.005 0.000 1.087 285 F CA 1.760 59.826 58.000 0.110 0.000 1.340 285 F CB 0.042 39.108 39.000 0.110 0.000 1.031 285 F HN 0.049 nan 8.300 nan 0.000 0.500 286 R N 0.123 120.624 120.500 0.002 0.000 2.091 286 R HA -0.207 4.210 4.340 0.130 0.000 0.238 286 R C 2.121 178.326 176.300 -0.158 0.000 1.136 286 R CA 1.729 57.768 56.100 -0.101 0.000 0.959 286 R CB -0.437 29.855 30.300 -0.013 0.000 0.856 286 R HN 0.104 nan 8.270 nan 0.000 0.437 287 K N 0.600 120.935 120.400 -0.109 0.000 2.097 287 K HA -0.086 4.312 4.320 0.130 0.000 0.206 287 K C 1.821 178.351 176.600 -0.118 0.000 1.049 287 K CA 1.066 57.298 56.287 -0.091 0.000 0.933 287 K CB -0.016 32.448 32.500 -0.061 0.000 0.717 287 K HN -0.034 nan 8.250 nan 0.000 0.442 288 V N 0.908 120.728 119.914 -0.157 0.000 2.323 288 V HA -0.192 4.006 4.120 0.130 0.000 0.244 288 V C 2.171 178.076 176.094 -0.316 0.000 1.041 288 V CA 1.574 63.761 62.300 -0.188 0.000 1.025 288 V CB -0.549 31.182 31.823 -0.154 0.000 0.656 288 V HN 0.353 nan 8.190 nan 0.000 0.451 289 L N 0.762 121.662 121.223 -0.538 0.000 2.013 289 L HA -0.229 4.189 4.340 0.130 0.000 0.212 289 L C 2.453 179.161 176.870 -0.269 0.000 1.073 289 L CA 2.427 56.954 54.840 -0.522 0.000 0.753 289 L CB -0.796 40.840 42.059 -0.705 0.000 0.890 289 L HN 0.288 nan 8.230 nan 0.000 0.432 290 K N -0.608 119.670 120.400 -0.203 0.000 2.032 290 K HA -0.210 4.187 4.320 0.130 0.000 0.209 290 K C 1.976 178.523 176.600 -0.088 0.000 1.048 290 K CA 1.581 57.799 56.287 -0.114 0.000 0.927 290 K CB -0.338 32.111 32.500 -0.085 0.000 0.712 290 K HN 0.499 nan 8.250 nan 0.000 0.441 291 A N 1.184 123.950 122.820 -0.090 0.000 1.933 291 A HA -0.097 4.301 4.320 0.130 0.000 0.218 291 A C 2.117 179.669 177.584 -0.053 0.000 1.175 291 A CA 1.188 53.191 52.037 -0.057 0.000 0.628 291 A CB -0.483 18.493 19.000 -0.041 0.000 0.814 291 A HN 0.332 nan 8.150 nan 0.000 0.444 292 L N -1.189 119.987 121.223 -0.080 0.000 2.093 292 L HA -0.135 4.283 4.340 0.130 0.000 0.208 292 L C 2.864 179.710 176.870 -0.040 0.000 1.085 292 L CA 0.895 55.701 54.840 -0.057 0.000 0.755 292 L CB -0.418 41.594 42.059 -0.080 0.000 0.904 292 L HN 0.285 nan 8.230 nan 0.000 0.435 293 R N -0.330 120.140 120.500 -0.050 0.000 2.062 293 R HA -0.060 4.358 4.340 0.130 0.000 0.229 293 R C 2.267 178.554 176.300 -0.022 0.000 1.128 293 R CA 1.040 57.124 56.100 -0.027 0.000 0.960 293 R CB -0.700 29.585 30.300 -0.025 0.000 0.855 293 R HN 0.211 nan 8.270 nan 0.000 0.432 294 V N 1.443 121.341 119.914 -0.028 0.000 2.332 294 V HA -0.242 3.956 4.120 0.130 0.000 0.248 294 V C 2.522 178.603 176.094 -0.022 0.000 1.055 294 V CA 1.975 64.261 62.300 -0.023 0.000 1.038 294 V CB -0.779 31.030 31.823 -0.024 0.000 0.651 294 V HN 0.341 nan 8.190 nan 0.000 0.450 295 A N -1.013 121.792 122.820 -0.025 0.000 1.969 295 A HA 0.233 4.631 4.320 0.130 0.000 0.218 295 A C 2.133 179.700 177.584 -0.030 0.000 1.169 295 A CA 1.841 53.861 52.037 -0.027 0.000 0.635 295 A CB -0.432 18.553 19.000 -0.025 0.000 0.810 295 A HN 1.205 nan 8.150 nan 0.000 0.445 296 G N -2.828 105.959 108.800 -0.023 0.000 2.229 296 G HA2 -0.167 3.870 3.960 0.130 0.000 0.189 296 G HA3 -0.167 3.870 3.960 0.130 0.000 0.189 296 G C 0.249 175.142 174.900 -0.012 0.000 1.000 296 G CA 0.075 45.163 45.100 -0.019 0.000 0.663 296 G HN 0.326 nan 8.290 nan 0.000 0.493 297 M N 0.980 120.575 119.600 -0.010 0.000 2.226 297 M HA 0.383 4.941 4.480 0.130 0.000 0.324 297 M C 0.759 177.074 176.300 0.025 0.000 1.112 297 M CA 0.456 55.760 55.300 0.008 0.000 1.176 297 M CB 0.600 33.211 32.600 0.018 0.000 1.430 297 M HN 0.040 nan 8.290 nan 0.000 0.462 298 K N 1.327 121.753 120.400 0.044 0.000 2.123 298 K HA 0.692 5.089 4.320 0.130 0.000 0.248 298 K C -1.362 175.289 176.600 0.086 0.000 0.969 298 K CA -0.883 55.441 56.287 0.061 0.000 0.882 298 K CB 1.609 34.144 32.500 0.059 0.000 1.080 298 K HN 0.370 nan 8.250 nan 0.000 0.441 299 L N 0.706 122.000 121.223 0.118 0.000 2.381 299 L HA 0.613 5.031 4.340 0.130 0.000 0.268 299 L C -1.497 175.484 176.870 0.185 0.000 0.997 299 L CA -0.229 54.711 54.840 0.166 0.000 0.818 299 L CB 1.948 44.132 42.059 0.208 0.000 1.310 299 L HN 0.840 nan 8.230 nan 0.000 0.416 300 A N 4.436 127.362 122.820 0.177 0.000 2.423 300 A HA 0.825 5.223 4.320 0.130 0.000 0.304 300 A C -1.378 176.298 177.584 0.152 0.000 1.104 300 A CA -0.584 51.537 52.037 0.140 0.000 0.757 300 A CB 1.266 20.324 19.000 0.097 0.000 1.313 300 A HN 0.478 nan 8.150 nan 0.000 0.423 301 I N 2.202 122.832 120.570 0.099 0.000 2.312 301 I HA 0.298 4.546 4.170 0.130 0.000 0.290 301 I C -0.189 175.956 176.117 0.046 0.000 1.008 301 I CA -0.080 61.263 61.300 0.072 0.000 1.226 301 I CB 0.785 38.798 38.000 0.022 0.000 1.371 301 I HN 0.686 nan 8.210 nan 0.000 0.468 315 T N -1.327 113.211 114.554 -0.026 0.000 3.055 315 T HA -0.005 4.423 4.350 0.130 0.000 0.265 315 T C 0.912 175.640 174.700 0.047 0.000 1.111 315 T CA 0.487 62.592 62.100 0.008 0.000 1.118 315 T CB -0.138 68.738 68.868 0.014 0.000 0.909 315 T HN 0.418 nan 8.240 nan 0.000 0.501 316 R N 0.589 121.132 120.500 0.072 0.000 2.593 316 R HA 0.486 4.904 4.340 0.130 0.000 0.258 316 R C -1.069 175.438 176.300 0.345 0.000 1.410 316 R CA -0.715 55.485 56.100 0.167 0.000 1.537 316 R CB -0.023 30.355 30.300 0.130 0.000 1.362 316 R HN 0.446 nan 8.270 nan 0.000 0.734 317 F N -1.108 118.888 119.950 0.076 0.000 2.980 317 F HA 0.644 5.187 4.527 0.026 0.000 0.335 317 F C -1.418 174.417 175.800 0.059 0.000 1.210 317 F CA -1.771 56.270 58.000 0.070 0.000 0.986 317 F CB 0.914 39.971 39.000 0.095 0.000 1.469 317 F HN -0.223 nan 8.300 nan 0.000 0.519 318 Q N 2.433 122.231 119.800 -0.002 0.000 2.341 318 Q HA 0.519 4.937 4.340 0.130 0.000 0.268 318 Q C -2.641 173.380 176.000 0.035 0.000 1.013 318 Q CA -1.935 53.785 55.803 -0.137 0.000 0.798 318 Q CB 1.569 30.302 28.738 -0.010 0.000 1.253 318 Q HN 0.358 nan 8.270 nan 0.000 0.457 319 P HA 0.093 nan 4.420 nan 0.000 0.275 319 P C -0.472 176.883 177.300 0.092 0.000 1.266 319 P CA -0.233 62.952 63.100 0.143 0.000 0.793 319 P CB 1.185 32.922 31.700 0.061 0.000 1.074 320 D N -0.920 119.546 120.400 0.110 0.000 2.271 320 D HA 0.003 4.721 4.640 0.130 0.000 0.206 320 D C 0.651 176.976 176.300 0.041 0.000 0.967 320 D CA 1.268 55.308 54.000 0.068 0.000 0.867 320 D CB 0.712 41.555 40.800 0.071 0.000 0.960 320 D HN 0.356 nan 8.370 nan 0.000 0.509 321 K N 1.031 121.458 120.400 0.045 0.000 2.501 321 K HA 0.399 4.797 4.320 0.130 0.000 0.252 321 K C -1.365 175.245 176.600 0.016 0.000 0.934 321 K CA -0.657 55.644 56.287 0.024 0.000 0.797 321 K CB 2.101 34.620 32.500 0.031 0.000 1.270 321 K HN -0.063 nan 8.250 nan 0.000 0.431 322 I N 0.274 120.840 120.570 -0.007 0.000 2.530 322 I HA 0.515 4.763 4.170 0.130 0.000 0.297 322 I C -1.220 174.888 176.117 -0.014 0.000 1.011 322 I CA -0.705 60.588 61.300 -0.012 0.000 1.107 322 I CB 1.857 39.839 38.000 -0.031 0.000 1.285 322 I HN 0.408 nan 8.210 nan 0.000 0.436 323 K N 5.828 126.225 120.400 -0.005 0.000 2.339 323 K HA 0.465 4.863 4.320 0.130 0.000 0.264 323 K C -0.937 175.660 176.600 -0.006 0.000 0.986 323 K CA -0.875 55.408 56.287 -0.006 0.000 0.866 323 K CB 2.338 34.843 32.500 0.010 0.000 1.103 323 K HN 0.494 nan 8.250 nan 0.000 0.441 324 V N 3.123 123.030 119.914 -0.012 0.000 2.485 324 V HA -0.083 4.115 4.120 0.130 0.000 0.287 324 V C 0.515 176.614 176.094 0.010 0.000 1.022 324 V CA 0.083 62.382 62.300 -0.002 0.000 1.067 324 V CB 0.309 32.132 31.823 -0.001 0.000 0.967 324 V HN 0.723 nan 8.190 nan 0.000 0.479 325 D N 4.040 124.445 120.400 0.008 0.000 2.400 325 D HA 0.260 4.978 4.640 0.130 0.000 0.238 325 D C 1.111 177.420 176.300 0.014 0.000 1.157 325 D CA 0.636 54.642 54.000 0.009 0.000 0.889 325 D CB 1.302 42.104 40.800 0.004 0.000 1.199 325 D HN 0.608 nan 8.370 nan 0.000 0.436 326 A N 2.502 125.327 122.820 0.009 0.000 2.019 326 A HA -0.172 4.226 4.320 0.130 0.000 0.219 326 A C 1.879 179.470 177.584 0.012 0.000 1.164 326 A CA 1.590 53.632 52.037 0.008 0.000 0.644 326 A CB -0.577 18.414 19.000 -0.015 0.000 0.805 326 A HN 0.683 nan 8.150 nan 0.000 0.449 327 E N 0.385 120.590 120.200 0.007 0.000 2.106 327 E HA -0.098 4.330 4.350 0.130 0.000 0.192 327 E C 1.734 178.338 176.600 0.007 0.000 0.984 327 E CA 1.125 57.528 56.400 0.005 0.000 0.806 327 E CB -0.452 29.248 29.700 0.000 0.000 0.750 327 E HN 0.602 nan 8.360 nan 0.000 0.458 328 L N -0.565 120.664 121.223 0.010 0.000 2.141 328 L HA -0.101 4.317 4.340 0.130 0.000 0.209 328 L C 2.301 179.189 176.870 0.030 0.000 1.094 328 L CA 0.615 55.462 54.840 0.012 0.000 0.763 328 L CB -0.178 41.889 42.059 0.013 0.000 0.908 328 L HN 0.082 nan 8.230 nan 0.000 0.437 329 V N -0.805 119.137 119.914 0.047 0.000 2.488 329 V HA -0.124 4.074 4.120 0.130 0.000 0.246 329 V C 1.540 177.682 176.094 0.079 0.000 1.046 329 V CA 0.536 62.885 62.300 0.082 0.000 1.053 329 V CB -0.474 31.408 31.823 0.099 0.000 0.679 329 V HN 0.353 nan 8.190 nan 0.000 0.458 330 R N 1.229 121.760 120.500 0.052 0.000 2.480 330 R HA -0.063 4.355 4.340 0.130 0.000 0.303 330 R C -0.004 176.325 176.300 0.048 0.000 0.985 330 R CA 0.442 56.574 56.100 0.053 0.000 1.051 330 R CB -0.300 30.018 30.300 0.029 0.000 0.935 330 R HN 0.434 nan 8.270 nan 0.000 0.410 331 D N 3.222 123.685 120.400 0.105 0.000 2.772 331 D HA -0.258 4.460 4.640 0.130 0.000 0.233 331 D C 0.684 176.927 176.300 -0.095 0.000 1.143 331 D CA 1.021 55.040 54.000 0.032 0.000 0.700 331 D CB -1.050 39.707 40.800 -0.071 0.000 1.076 331 D HN 0.705 nan 8.370 nan 0.000 0.430 332 I N 0.506 121.092 120.570 0.026 0.000 2.676 332 I HA -0.238 4.010 4.170 0.130 0.000 0.259 332 I C 2.327 178.276 176.117 -0.279 0.000 1.194 332 I CA 1.004 62.265 61.300 -0.064 0.000 1.473 332 I CB 0.059 38.093 38.000 0.058 0.000 1.096 332 I HN 0.278 nan 8.210 nan 0.000 0.443 333 H N 1.342 120.155 119.070 -0.428 0.000 2.524 333 H HA -0.066 4.567 4.556 0.129 0.000 0.282 333 H C 1.615 176.422 175.328 -0.867 0.000 1.016 333 H CA 1.452 56.906 56.048 -0.990 0.000 1.270 333 H CB -0.521 28.960 29.762 -0.469 0.000 1.394 333 H HN 0.593 nan 8.280 nan 0.000 0.568 334 I N -1.862 118.159 120.570 -0.915 0.000 4.240 334 I HA 0.341 4.589 4.170 0.130 0.000 0.331 334 I C 0.170 176.051 176.117 -0.393 0.000 1.381 334 I CA -0.487 60.441 61.300 -0.620 0.000 1.136 334 I CB 0.797 38.447 38.000 -0.583 0.000 1.137 334 I HN 0.044 nan 8.210 nan 0.000 0.411 335 S N 1.175 116.646 115.700 -0.382 0.000 2.566 335 S HA 0.592 5.140 4.470 0.130 0.000 0.324 335 S C 1.105 175.556 174.600 -0.247 0.000 1.081 335 S CA -0.129 57.921 58.200 -0.250 0.000 1.105 335 S CB 1.337 64.424 63.200 -0.189 0.000 0.981 335 S HN 0.410 nan 8.310 nan 0.000 0.464 336 G N 3.167 111.840 108.800 -0.212 0.000 2.421 336 G HA2 -0.096 3.942 3.960 0.130 0.000 0.217 336 G HA3 -0.096 3.942 3.960 0.130 0.000 0.217 336 G C 1.180 175.948 174.900 -0.219 0.000 1.143 336 G CA 1.205 46.167 45.100 -0.230 0.000 0.784 336 G HN 0.688 nan 8.290 nan 0.000 0.541 337 T N 0.978 115.443 114.554 -0.148 0.000 2.674 337 T HA -0.088 4.340 4.350 0.130 0.000 0.265 337 T C 2.329 176.969 174.700 -0.100 0.000 1.039 337 T CA 1.461 63.497 62.100 -0.107 0.000 1.150 337 T CB -0.154 68.666 68.868 -0.079 0.000 0.864 337 T HN 0.295 nan 8.240 nan 0.000 0.427 338 K N 0.792 121.131 120.400 -0.102 0.000 2.097 338 K HA -0.055 4.343 4.320 0.130 0.000 0.205 338 K C 2.662 179.227 176.600 -0.059 0.000 1.050 338 K CA 1.017 57.264 56.287 -0.068 0.000 0.938 338 K CB -0.119 32.344 32.500 -0.062 0.000 0.718 338 K HN 0.396 nan 8.250 nan 0.000 0.442 339 Q N 0.166 119.894 119.800 -0.120 0.000 2.050 339 Q HA -0.161 4.257 4.340 0.130 0.000 0.202 339 Q C 2.187 178.126 176.000 -0.102 0.000 0.980 339 Q CA 1.692 57.431 55.803 -0.106 0.000 0.840 339 Q CB -0.167 28.414 28.738 -0.262 0.000 0.898 339 Q HN 0.356 nan 8.270 nan 0.000 0.424 340 A N 0.675 123.364 122.820 -0.217 0.000 1.873 340 A HA -0.171 4.226 4.320 0.130 0.000 0.215 340 A C 2.035 179.645 177.584 0.043 0.000 1.186 340 A CA 1.184 53.185 52.037 -0.060 0.000 0.616 340 A CB -0.661 18.288 19.000 -0.086 0.000 0.823 340 A HN 0.315 nan 8.150 nan 0.000 0.442 341 I N -0.419 120.154 120.570 0.005 0.000 2.163 341 I HA -0.234 4.013 4.170 0.130 0.000 0.243 341 I C 2.343 178.480 176.117 0.034 0.000 1.085 341 I CA 1.265 62.575 61.300 0.017 0.000 1.347 341 I CB -0.325 37.674 38.000 -0.001 0.000 1.044 341 I HN 0.158 nan 8.210 nan 0.000 0.408 342 V N 0.848 120.788 119.914 0.043 0.000 2.358 342 V HA -0.255 3.943 4.120 0.130 0.000 0.246 342 V C 2.715 178.852 176.094 0.073 0.000 1.047 342 V CA 1.859 64.191 62.300 0.053 0.000 1.035 342 V CB -0.980 30.883 31.823 0.066 0.000 0.658 342 V HN 0.490 nan 8.190 nan 0.000 0.452 343 A N 0.863 123.759 122.820 0.127 0.000 1.908 343 A HA -0.241 4.156 4.320 0.130 0.000 0.218 343 A C 2.506 180.141 177.584 0.086 0.000 1.181 343 A CA 2.600 54.723 52.037 0.144 0.000 0.627 343 A CB -0.722 18.449 19.000 0.285 0.000 0.818 343 A HN 0.697 nan 8.150 nan 0.000 0.445 344 S N -1.140 114.609 115.700 0.082 0.000 2.446 344 S HA 0.005 4.553 4.470 0.130 0.000 0.225 344 S C 1.677 176.291 174.600 0.025 0.000 1.016 344 S CA 0.911 59.141 58.200 0.050 0.000 0.943 344 S CB -0.469 62.763 63.200 0.053 0.000 0.786 344 S HN 0.194 nan 8.310 nan 0.000 0.508 345 V N 1.803 121.730 119.914 0.021 0.000 2.343 345 V HA -0.137 4.060 4.120 0.130 0.000 0.247 345 V C 2.633 178.724 176.094 -0.005 0.000 1.051 345 V CA 1.703 64.005 62.300 0.003 0.000 1.036 345 V CB -0.628 31.196 31.823 0.001 0.000 0.654 345 V HN 0.460 nan 8.190 nan 0.000 0.451 346 V N -0.207 119.707 119.914 0.001 0.000 2.295 346 V HA -0.245 3.953 4.120 0.130 0.000 0.246 346 V C 2.616 178.703 176.094 -0.011 0.000 1.049 346 V CA 2.296 64.590 62.300 -0.011 0.000 1.024 346 V CB -0.721 31.098 31.823 -0.007 0.000 0.648 346 V HN 0.454 nan 8.190 nan 0.000 0.447 347 R N -0.145 120.354 120.500 -0.002 0.000 2.081 347 R HA -0.142 4.276 4.340 0.130 0.000 0.235 347 R C 2.296 178.591 176.300 -0.008 0.000 1.131 347 R CA 2.115 58.212 56.100 -0.005 0.000 0.960 347 R CB -1.623 28.677 30.300 0.000 0.000 0.856 347 R HN 0.572 nan 8.270 nan 0.000 0.436 348 C N -0.716 118.580 119.300 -0.006 0.000 2.413 348 C HA -0.140 4.398 4.460 0.130 0.000 0.276 348 C C 2.724 177.704 174.990 -0.017 0.000 1.236 348 C CA 1.246 60.258 59.018 -0.011 0.000 1.735 348 C CB -1.245 26.488 27.740 -0.012 0.000 2.031 348 C HN 0.710 nan 8.230 nan 0.000 0.474 349 C N 0.060 119.348 119.300 -0.020 0.000 2.446 349 C HA -0.042 4.495 4.460 0.130 0.000 0.279 349 C C 2.499 177.477 174.990 -0.021 0.000 1.366 349 C CA 1.156 60.159 59.018 -0.024 0.000 1.763 349 C CB -1.586 26.137 27.740 -0.029 0.000 1.929 349 C HN 0.739 nan 8.230 nan 0.000 0.509 350 E N 1.330 121.518 120.200 -0.019 0.000 2.031 350 E HA -0.217 4.211 4.350 0.130 0.000 0.193 350 E C 1.410 178.002 176.600 -0.014 0.000 0.994 350 E CA 1.503 57.893 56.400 -0.017 0.000 0.800 350 E CB -0.056 29.633 29.700 -0.017 0.000 0.752 350 E HN 0.546 nan 8.360 nan 0.000 0.447 351 D N 0.323 120.715 120.400 -0.013 0.000 2.178 351 D HA -0.142 4.576 4.640 0.130 0.000 0.201 351 D C 1.911 178.206 176.300 -0.009 0.000 0.980 351 D CA 0.820 54.814 54.000 -0.010 0.000 0.842 351 D CB -0.058 40.736 40.800 -0.009 0.000 0.948 351 D HN 0.298 nan 8.370 nan 0.000 0.472 352 L N -0.503 120.712 121.223 -0.012 0.000 2.509 352 L HA 0.167 4.585 4.340 0.130 0.000 0.222 352 L C 1.250 178.115 176.870 -0.007 0.000 1.123 352 L CA 0.329 55.162 54.840 -0.011 0.000 0.856 352 L CB -0.138 41.909 42.059 -0.020 0.000 0.985 352 L HN 0.071 nan 8.230 nan 0.000 0.456 353 G N 1.588 110.382 108.800 -0.009 0.000 2.225 353 G HA2 -0.273 3.765 3.960 0.130 0.000 0.264 353 G HA3 -0.273 3.765 3.960 0.130 0.000 0.264 353 G C -0.055 174.842 174.900 -0.005 0.000 1.060 353 G CA -0.095 45.002 45.100 -0.006 0.000 0.833 353 G HN 0.298 nan 8.290 nan 0.000 0.498 354 I N 0.793 121.355 120.570 -0.012 0.000 2.377 354 I HA 0.280 4.528 4.170 0.130 0.000 0.293 354 I C 0.831 176.936 176.117 -0.019 0.000 0.987 354 I CA -0.745 60.548 61.300 -0.013 0.000 1.185 354 I CB 1.745 39.731 38.000 -0.022 0.000 1.341 354 I HN 0.029 nan 8.210 nan 0.000 0.455 355 T N 5.706 120.251 114.554 -0.015 0.000 2.888 355 T HA 0.208 4.636 4.350 0.130 0.000 0.301 355 T C -0.051 174.626 174.700 -0.038 0.000 1.001 355 T CA -0.146 61.939 62.100 -0.026 0.000 1.147 355 T CB 0.576 69.434 68.868 -0.017 0.000 0.931 355 T HN 0.211 nan 8.240 nan 0.000 0.541 356 V N 5.060 124.937 119.914 -0.063 0.000 2.384 356 V HA 0.432 4.630 4.120 0.130 0.000 0.287 356 V C -0.040 175.979 176.094 -0.126 0.000 1.020 356 V CA -0.723 61.529 62.300 -0.080 0.000 0.850 356 V CB 1.649 33.421 31.823 -0.084 0.000 0.987 356 V HN 0.644 nan 8.190 nan 0.000 0.436 357 V N 3.862 123.713 119.914 -0.106 0.000 2.495 357 V HA 0.728 4.926 4.120 0.130 0.000 0.298 357 V C 0.436 176.465 176.094 -0.109 0.000 1.031 357 V CA -0.665 61.554 62.300 -0.136 0.000 0.871 357 V CB 1.890 33.669 31.823 -0.073 0.000 0.988 357 V HN 0.966 nan 8.190 nan 0.000 0.432 358 A N 4.191 126.919 122.820 -0.153 0.000 2.309 358 A HA 0.581 4.978 4.320 0.130 0.000 0.290 358 A C 0.077 177.704 177.584 0.072 0.000 1.206 358 A CA -0.366 51.661 52.037 -0.017 0.000 0.850 358 A CB 0.132 19.158 19.000 0.044 0.000 1.118 358 A HN 0.858 nan 8.150 nan 0.000 0.523 359 E N 0.911 121.146 120.200 0.059 0.000 2.283 359 E HA 0.484 4.911 4.350 0.130 0.000 0.267 359 E C 0.850 177.482 176.600 0.053 0.000 1.045 359 E CA 0.185 56.618 56.400 0.054 0.000 0.884 359 E CB 1.032 30.745 29.700 0.021 0.000 1.106 359 E HN 1.249 nan 8.360 nan 0.000 0.408 360 G N 0.914 109.713 108.800 -0.001 0.000 2.221 360 G HA2 -0.251 3.787 3.960 0.130 0.000 0.265 360 G HA3 -0.251 3.787 3.960 0.130 0.000 0.265 360 G C 0.067 174.960 174.900 -0.011 0.000 1.041 360 G CA 0.109 45.163 45.100 -0.077 0.000 0.807 360 G HN 0.306 nan 8.290 nan 0.000 0.502 361 V N 0.021 119.993 119.914 0.096 0.000 2.415 361 V HA 0.265 4.463 4.120 0.130 0.000 0.267 361 V C 1.200 177.314 176.094 0.033 0.000 1.042 361 V CA 0.810 63.207 62.300 0.161 0.000 1.000 361 V CB 1.048 33.122 31.823 0.419 0.000 1.015 361 V HN 0.564 nan 8.190 nan 0.000 0.478 362 E N 2.177 122.377 120.200 0.001 0.000 2.372 362 E HA 0.074 4.502 4.350 0.130 0.000 0.201 362 E C 0.797 177.359 176.600 -0.063 0.000 0.938 362 E CA 0.519 56.908 56.400 -0.018 0.000 0.944 362 E CB 0.851 30.561 29.700 0.017 0.000 0.937 362 E HN 0.826 nan 8.360 nan 0.000 0.495 363 T N -2.675 111.845 114.554 -0.056 0.000 2.916 363 T HA 0.359 4.786 4.350 0.130 0.000 0.292 363 T C 0.909 175.578 174.700 -0.053 0.000 1.055 363 T CA -0.739 61.318 62.100 -0.073 0.000 1.009 363 T CB 1.584 70.410 68.868 -0.071 0.000 1.118 363 T HN -0.085 nan 8.240 nan 0.000 0.497 364 L N 0.486 121.680 121.223 -0.048 0.000 2.079 364 L HA -0.094 4.323 4.340 0.130 0.000 0.210 364 L C 2.645 179.601 176.870 0.144 0.000 1.081 364 L CA 1.543 56.412 54.840 0.048 0.000 0.752 364 L CB -0.431 41.662 42.059 0.058 0.000 0.896 364 L HN 0.761 nan 8.230 nan 0.000 0.433 365 E N 0.043 120.276 120.200 0.055 0.000 2.085 365 E HA -0.240 4.188 4.350 0.130 0.000 0.194 365 E C 2.030 178.738 176.600 0.181 0.000 0.994 365 E CA 1.287 57.726 56.400 0.066 0.000 0.801 365 E CB -0.073 29.457 29.700 -0.284 0.000 0.743 365 E HN 0.476 nan 8.360 nan 0.000 0.453 366 E N -0.714 119.546 120.200 0.100 0.000 2.047 366 E HA -0.174 4.254 4.350 0.130 0.000 0.191 366 E C 1.775 178.526 176.600 0.252 0.000 0.987 366 E CA 0.970 57.488 56.400 0.196 0.000 0.799 366 E CB -0.304 29.487 29.700 0.151 0.000 0.752 366 E HN 0.350 nan 8.360 nan 0.000 0.449 367 W N 1.165 122.474 121.300 0.015 0.000 2.335 367 W HA -0.290 4.448 4.660 0.129 0.000 0.311 367 W C 2.102 178.562 176.519 -0.100 0.000 1.213 367 W CA 1.366 58.643 57.345 -0.113 0.000 1.274 367 W CB -0.590 28.713 29.460 -0.262 0.000 1.148 367 W HN 0.061 nan 8.180 nan 0.000 0.498 368 C N -0.640 118.538 119.300 -0.204 0.000 2.413 368 C HA -0.212 4.326 4.460 0.130 0.000 0.276 368 C C 2.332 177.092 174.990 -0.384 0.000 1.248 368 C CA 1.253 59.969 59.018 -0.503 0.000 1.742 368 C CB -1.853 25.775 27.740 -0.186 0.000 2.017 368 C HN 0.569 nan 8.230 nan 0.000 0.481 369 W N 0.584 121.818 121.300 -0.110 0.000 2.436 369 W HA 0.094 4.831 4.660 0.128 0.000 0.284 369 W C 2.320 178.833 176.519 -0.010 0.000 1.225 369 W CA 0.452 57.788 57.345 -0.015 0.000 1.271 369 W CB -0.567 28.938 29.460 0.075 0.000 1.114 369 W HN 0.221 nan 8.180 nan 0.000 0.559 370 L N -0.212 121.132 121.223 0.203 0.000 2.056 370 L HA -0.244 4.174 4.340 0.130 0.000 0.207 370 L C 2.554 179.474 176.870 0.083 0.000 1.078 370 L CA 1.442 56.400 54.840 0.197 0.000 0.749 370 L CB -0.882 41.409 42.059 0.388 0.000 0.901 370 L HN -0.035 nan 8.230 nan 0.000 0.433 371 Q N 0.161 119.877 119.800 -0.141 0.000 2.124 371 Q HA -0.203 4.215 4.340 0.130 0.000 0.202 371 Q C 2.315 178.206 176.000 -0.181 0.000 0.977 371 Q CA 2.122 57.770 55.803 -0.260 0.000 0.850 371 Q CB -0.156 28.076 28.738 -0.843 0.000 0.901 371 Q HN 0.541 nan 8.270 nan 0.000 0.429 372 S N -1.231 114.359 115.700 -0.184 0.000 2.453 372 S HA -0.074 4.474 4.470 0.130 0.000 0.231 372 S C 1.624 176.209 174.600 -0.026 0.000 1.005 372 S CA 0.796 58.914 58.200 -0.138 0.000 0.949 372 S CB -0.330 62.729 63.200 -0.234 0.000 0.774 372 S HN 0.376 nan 8.310 nan 0.000 0.510 373 V N -2.498 117.449 119.914 0.056 0.000 3.647 373 V HA 0.695 4.893 4.120 0.130 0.000 0.279 373 V C 1.437 177.554 176.094 0.038 0.000 1.314 373 V CA 0.217 62.576 62.300 0.100 0.000 1.125 373 V CB -0.767 31.187 31.823 0.219 0.000 0.907 373 V HN 0.760 nan 8.190 nan 0.000 0.434 374 G N 0.434 109.235 108.800 0.002 0.000 2.175 374 G HA2 -0.148 3.889 3.960 0.130 0.000 0.182 374 G HA3 -0.148 3.889 3.960 0.130 0.000 0.182 374 G C -0.159 174.719 174.900 -0.037 0.000 1.003 374 G CA -0.095 44.994 45.100 -0.019 0.000 0.666 374 G HN 0.382 nan 8.290 nan 0.000 0.506 375 I N 0.940 121.479 120.570 -0.051 0.000 2.556 375 I HA 0.289 4.536 4.170 0.130 0.000 0.284 375 I C 1.308 177.305 176.117 -0.199 0.000 1.114 375 I CA 0.269 61.457 61.300 -0.187 0.000 1.418 375 I CB 0.997 38.836 38.000 -0.267 0.000 1.394 375 I HN 0.080 nan 8.210 nan 0.000 0.552 376 R N 4.990 125.312 120.500 -0.297 0.000 2.469 376 R HA 0.397 4.814 4.340 0.130 0.000 0.250 376 R C -0.250 175.919 176.300 -0.218 0.000 0.909 376 R CA 0.050 56.084 56.100 -0.110 0.000 1.050 376 R CB 0.603 30.891 30.300 -0.020 0.000 1.256 376 R HN 0.459 nan 8.270 nan 0.000 0.550 377 L N 1.030 121.918 121.223 -0.558 0.000 2.341 377 L HA 0.541 4.959 4.340 0.130 0.000 0.278 377 L C -1.046 175.429 176.870 -0.659 0.000 1.005 377 L CA -0.688 53.918 54.840 -0.389 0.000 0.818 377 L CB 1.551 43.492 42.059 -0.196 0.000 1.259 377 L HN -0.222 nan 8.230 nan 0.000 0.418 378 F N 1.115 121.006 119.950 -0.098 0.000 2.578 378 F HA 0.524 5.131 4.527 0.133 0.000 0.311 378 F C -0.162 175.577 175.800 -0.101 0.000 1.094 378 F CA -0.566 57.373 58.000 -0.102 0.000 0.923 378 F CB 2.171 41.017 39.000 -0.257 0.000 1.230 378 F HN 0.348 nan 8.300 nan 0.000 0.450 379 Q N 1.706 121.635 119.800 0.216 0.000 2.323 379 Q HA 0.753 5.171 4.340 0.130 0.000 0.271 379 Q C -0.785 175.355 176.000 0.233 0.000 1.048 379 Q CA -0.622 55.287 55.803 0.175 0.000 0.792 379 Q CB 2.512 31.304 28.738 0.089 0.000 1.280 379 Q HN 1.012 nan 8.270 nan 0.000 0.441 380 G N 1.244 110.195 108.800 0.253 0.000 2.316 380 G HA2 0.145 4.183 3.960 0.130 0.000 0.296 380 G HA3 0.145 4.183 3.960 0.130 0.000 0.296 380 G C -0.786 174.238 174.900 0.207 0.000 1.399 380 G CA -0.714 44.460 45.100 0.125 0.000 0.833 380 G HN 0.438 nan 8.290 nan 0.000 0.565 381 F N -0.114 119.857 119.950 0.035 0.000 2.293 381 F HA 0.082 4.688 4.527 0.131 0.000 0.300 381 F C 2.623 178.350 175.800 -0.121 0.000 1.086 381 F CA 0.763 58.748 58.000 -0.024 0.000 1.375 381 F CB -0.587 38.399 39.000 -0.023 0.000 1.045 381 F HN 0.296 nan 8.300 nan 0.000 0.516 382 L N -0.956 120.230 121.223 -0.060 0.000 2.079 382 L HA -0.213 4.205 4.340 0.130 0.000 0.210 382 L C 1.872 178.399 176.870 -0.572 0.000 1.081 382 L CA 2.008 56.597 54.840 -0.418 0.000 0.752 382 L CB -0.641 40.972 42.059 -0.744 0.000 0.896 382 L HN -0.007 nan 8.230 nan 0.000 0.433 383 F N -2.202 117.688 119.950 -0.100 0.000 2.343 383 F HA 0.281 4.886 4.527 0.131 0.000 0.286 383 F C 1.161 176.842 175.800 -0.197 0.000 1.057 383 F CA 0.455 58.319 58.000 -0.227 0.000 1.365 383 F CB -0.359 38.494 39.000 -0.245 0.000 1.114 383 F HN 0.017 nan 8.300 nan 0.000 0.545 384 S N 0.187 115.964 115.700 0.127 0.000 2.652 384 S HA 0.445 4.993 4.470 0.130 0.000 0.273 384 S C -0.927 173.777 174.600 0.174 0.000 1.172 384 S CA -0.814 57.438 58.200 0.088 0.000 1.009 384 S CB 0.736 63.976 63.200 0.067 0.000 1.094 384 S HN 0.098 nan 8.310 nan 0.000 0.471 385 R N 3.360 123.928 120.500 0.113 0.000 2.441 385 R HA 0.399 4.817 4.340 0.130 0.000 0.284 385 R C -2.546 173.826 176.300 0.119 0.000 1.070 385 R CA -1.840 54.328 56.100 0.113 0.000 1.047 385 R CB 0.208 30.442 30.300 -0.109 0.000 1.016 385 R HN 0.417 nan 8.270 nan 0.000 0.477 386 P HA -0.081 nan 4.420 nan 0.000 0.262 386 P C -0.705 176.644 177.300 0.081 0.000 1.182 386 P CA -0.035 63.154 63.100 0.147 0.000 0.761 386 P CB 0.450 32.255 31.700 0.176 0.000 0.795 387 C N 5.989 125.335 119.300 0.076 0.000 2.340 387 C HA 0.440 4.978 4.460 0.130 0.000 0.323 387 C C -0.209 174.808 174.990 0.044 0.000 1.260 387 C CA -1.084 57.960 59.018 0.043 0.000 1.464 387 C CB -0.533 27.224 27.740 0.028 0.000 2.156 387 C HN 0.534 nan 8.230 nan 0.000 0.476 388 L N 7.586 128.832 121.223 0.038 0.000 2.654 388 L HA 0.215 4.633 4.340 0.130 0.000 0.271 388 L C 0.799 177.691 176.870 0.037 0.000 1.169 388 L CA 1.208 56.074 54.840 0.043 0.000 0.947 388 L CB -0.460 41.622 42.059 0.038 0.000 1.232 388 L HN 0.864 nan 8.230 nan 0.000 0.486 389 N N 3.589 122.319 118.700 0.049 0.000 2.725 389 N HA -0.178 4.640 4.740 0.130 0.000 0.251 389 N C -0.001 175.508 175.510 -0.001 0.000 1.031 389 N CA 1.086 54.157 53.050 0.034 0.000 0.720 389 N CB -1.194 37.307 38.487 0.023 0.000 0.930 389 N HN 0.999 nan 8.380 nan 0.000 0.543 390 G N -1.110 107.675 108.800 -0.026 0.000 2.338 390 G HA2 0.391 4.429 3.960 0.130 0.000 0.295 390 G HA3 0.391 4.429 3.960 0.130 0.000 0.295 390 G C -0.821 174.016 174.900 -0.106 0.000 1.461 390 G CA -0.981 44.079 45.100 -0.067 0.000 0.817 390 G HN 0.134 nan 8.290 nan 0.000 0.556 391 I N 1.859 122.339 120.570 -0.150 0.000 2.436 391 I HA 0.381 4.629 4.170 0.130 0.000 0.289 391 I C 1.461 177.564 176.117 -0.024 0.000 1.083 391 I CA 0.027 61.232 61.300 -0.159 0.000 1.372 391 I CB 0.767 38.649 38.000 -0.196 0.000 1.408 391 I HN 0.597 nan 8.210 nan 0.000 0.516 392 G N 5.417 114.234 108.800 0.027 0.000 2.588 392 G HA2 0.279 4.317 3.960 0.130 0.000 0.281 392 G HA3 0.279 4.317 3.960 0.130 0.000 0.281 392 G C -0.311 174.613 174.900 0.040 0.000 1.236 392 G CA -0.578 44.543 45.100 0.036 0.000 0.969 392 G HN 0.764 nan 8.290 nan 0.000 0.504 393 E N -1.166 119.043 120.200 0.014 0.000 2.331 393 E HA 0.439 4.867 4.350 0.130 0.000 0.272 393 E C -0.807 175.765 176.600 -0.047 0.000 1.036 393 E CA -0.433 55.965 56.400 -0.005 0.000 0.864 393 E CB 1.396 31.088 29.700 -0.014 0.000 1.035 393 E HN 0.271 nan 8.360 nan 0.000 0.408 394 I N 2.217 122.725 120.570 -0.102 0.000 2.433 394 I HA 0.270 4.518 4.170 0.130 0.000 0.292 394 I C -0.623 175.238 176.117 -0.427 0.000 1.001 394 I CA -0.956 60.168 61.300 -0.293 0.000 1.119 394 I CB 1.679 39.427 38.000 -0.421 0.000 1.289 394 I HN 0.613 nan 8.210 nan 0.000 0.438 395 C N 4.155 123.185 119.300 -0.450 0.000 2.391 395 C HA 0.545 5.082 4.460 0.130 0.000 0.339 395 C C -0.703 173.995 174.990 -0.488 0.000 1.205 395 C CA -0.649 58.149 59.018 -0.366 0.000 1.937 395 C CB 0.464 28.076 27.740 -0.214 0.000 2.341 395 C HN 0.720 nan 8.230 nan 0.000 0.516 396 W N 2.181 123.493 121.300 0.019 0.000 2.736 396 W HA 0.462 5.199 4.660 0.128 0.000 0.335 396 W C -2.246 174.226 176.519 -0.079 0.000 1.059 396 W CA -2.355 54.989 57.345 -0.001 0.000 1.226 396 W CB 0.803 30.271 29.460 0.015 0.000 1.416 396 W HN 0.404 nan 8.180 nan 0.000 0.505 397 P HA 0.119 nan 4.420 nan 0.000 0.276 397 P C -0.675 176.827 177.300 0.337 0.000 1.253 397 P CA 0.137 63.202 63.100 -0.058 0.000 0.766 397 P CB 0.947 32.091 31.700 -0.926 0.000 0.845 398 V N 0.781 120.928 119.914 0.389 0.000 2.628 398 V HA 0.847 5.045 4.120 0.130 0.000 0.306 398 V C 0.049 176.174 176.094 0.052 0.000 1.045 398 V CA -1.518 60.951 62.300 0.282 0.000 0.905 398 V CB 1.444 33.345 31.823 0.130 0.000 0.997 398 V HN 0.612 nan 8.190 nan 0.000 0.436 399 A N 4.718 127.320 122.820 -0.362 0.000 2.407 399 A HA 0.623 5.021 4.320 0.130 0.000 0.248 399 A C 0.548 177.898 177.584 -0.391 0.000 1.082 399 A CA -0.317 51.224 52.037 -0.826 0.000 0.785 399 A CB 0.178 18.696 19.000 -0.803 0.000 1.020 399 A HN 0.972 nan 8.150 nan 0.000 0.489 400 R N 0.000 120.271 120.500 -0.382 0.000 2.786 400 R HA 0.000 4.418 4.340 0.130 0.000 0.208 400 R CA 0.000 55.985 56.100 -0.192 0.000 0.921 400 R CB 0.000 30.225 30.300 -0.124 0.000 0.687 400 R HN 0.000 nan 8.270 nan 0.000 0.535