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 1k5p_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLGAKPFGEK KFIEIKGRRM AYIDEGTGDP ILFQHGNPTS SYLWRNIMPH DATA SEQUENCE CAGLGRLIAC DLIGMGDSDK LDPSGPERYA YAEHRDYLDA LWEALDLGDR DATA SEQUENCE VVLVVHDWGS ALGFDWARRH RERVQGIAYM EAIAMPIEWA DFPEQDRDLF DATA SEQUENCE QAFRSQAGEE LVLQDNVFVE QVLPGLILRP LSEAEMAAYR EPFLAAGEAR DATA SEQUENCE RPTLSWPRQI PIAGTPADVV AIARDYAGWL SESPIPKLFI NAEPGALTTG DATA SEQUENCE RMRDFCRTWP NQTEITVAGA HFIQEDSPDE IGAAIAAFVR RLRPA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.620 174.600 0.034 0.000 1.055 2 S CA 0.000 58.226 58.200 0.043 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 L N 0.743 121.978 121.223 0.019 0.000 2.543 3 L HA 0.821 5.163 4.340 0.003 0.000 0.231 3 L C 1.015 177.886 176.870 0.001 0.000 1.194 3 L CA 0.282 55.126 54.840 0.007 0.000 0.823 3 L CB 0.773 42.839 42.059 0.010 0.000 1.374 3 L HN 1.389 nan 8.230 nan 0.000 0.507 4 G N -1.494 107.303 108.800 -0.006 0.000 2.329 4 G HA2 0.302 4.264 3.960 0.003 0.000 0.308 4 G HA3 0.302 4.264 3.960 0.003 0.000 0.308 4 G C -0.534 174.358 174.900 -0.013 0.000 1.587 4 G CA -0.158 44.940 45.100 -0.003 0.000 0.978 4 G HN 0.735 nan 8.290 nan 0.000 0.685 5 A N 0.383 123.218 122.820 0.024 0.000 2.267 5 A HA 0.482 4.804 4.320 0.003 0.000 0.213 5 A C 1.178 178.832 177.584 0.116 0.000 1.192 5 A CA 1.300 53.386 52.037 0.082 0.000 0.851 5 A CB -0.035 19.029 19.000 0.106 0.000 0.881 5 A HN 0.810 nan 8.150 nan 0.000 0.494 6 K N 1.917 122.350 120.400 0.056 0.000 2.326 6 K HA 0.242 4.564 4.320 0.003 0.000 0.275 6 K C -2.464 174.179 176.600 0.072 0.000 1.018 6 K CA -1.458 54.870 56.287 0.069 0.000 0.962 6 K CB 0.580 33.099 32.500 0.032 0.000 0.953 6 K HN 0.095 nan 8.250 nan 0.000 0.475 7 P HA -0.022 nan 4.420 nan 0.000 0.274 7 P C 0.069 177.427 177.300 0.096 0.000 1.237 7 P CA -0.277 62.901 63.100 0.129 0.000 0.793 7 P CB 0.415 32.208 31.700 0.155 0.000 0.977 8 F N 1.156 121.077 119.950 -0.048 0.000 2.293 8 F HA 0.156 4.683 4.527 0.001 0.000 0.300 8 F C 1.011 176.782 175.800 -0.048 0.000 1.086 8 F CA 1.700 59.665 58.000 -0.059 0.000 1.375 8 F CB -0.224 38.728 39.000 -0.080 0.000 1.045 8 F HN 0.521 nan 8.300 nan 0.000 0.516 9 G N -0.638 108.082 108.800 -0.134 0.000 2.548 9 G HA2 0.313 4.275 3.960 0.003 0.000 0.301 9 G HA3 0.313 4.275 3.960 0.003 0.000 0.301 9 G C -1.578 173.252 174.900 -0.118 0.000 1.349 9 G CA -0.894 44.069 45.100 -0.228 0.000 0.792 9 G HN 0.020 nan 8.290 nan 0.000 0.481 10 E N 0.559 120.676 120.200 -0.138 0.000 2.277 10 E HA 0.308 4.660 4.350 0.003 0.000 0.274 10 E C -0.278 176.205 176.600 -0.196 0.000 1.022 10 E CA -0.698 55.630 56.400 -0.121 0.000 0.853 10 E CB 1.202 30.843 29.700 -0.098 0.000 1.086 10 E HN 0.131 nan 8.360 nan 0.000 0.397 11 K N 2.512 122.767 120.400 -0.242 0.000 2.270 11 K HA 0.227 4.549 4.320 0.003 0.000 0.276 11 K C -0.167 175.978 176.600 -0.759 0.000 1.023 11 K CA 0.101 56.092 56.287 -0.493 0.000 0.955 11 K CB 0.809 32.990 32.500 -0.533 0.000 0.975 11 K HN 0.344 nan 8.250 nan 0.000 0.471 12 K N 1.393 121.201 120.400 -0.988 0.000 2.185 12 K HA 0.546 4.868 4.320 0.003 0.000 0.240 12 K C -0.649 175.284 176.600 -1.113 0.000 0.983 12 K CA -0.657 55.090 56.287 -0.899 0.000 0.873 12 K CB 0.921 32.891 32.500 -0.884 0.000 1.118 12 K HN 0.272 nan 8.250 nan 0.000 0.441 13 F N 0.911 120.804 119.950 -0.095 0.000 2.576 13 F HA 0.546 5.076 4.527 0.004 0.000 0.313 13 F C -0.266 175.684 175.800 0.250 0.000 1.078 13 F CA -0.839 57.230 58.000 0.114 0.000 0.921 13 F CB 1.397 40.434 39.000 0.063 0.000 1.232 13 F HN 0.119 nan 8.300 nan 0.000 0.459 14 I N 1.904 122.758 120.570 0.472 0.000 2.619 14 I HA 0.259 4.431 4.170 0.003 0.000 0.292 14 I C -0.853 175.408 176.117 0.240 0.000 1.100 14 I CA -0.922 60.566 61.300 0.314 0.000 1.043 14 I CB 2.139 40.285 38.000 0.242 0.000 1.239 14 I HN 0.473 nan 8.210 nan 0.000 0.420 15 E N 6.428 126.730 120.200 0.171 0.000 2.259 15 E HA 0.354 4.706 4.350 0.003 0.000 0.281 15 E C -0.754 175.915 176.600 0.115 0.000 1.037 15 E CA -0.224 56.256 56.400 0.133 0.000 0.854 15 E CB 1.677 31.433 29.700 0.095 0.000 1.051 15 E HN 0.260 nan 8.360 nan 0.000 0.409 16 I N 2.853 123.501 120.570 0.130 0.000 2.439 16 I HA 0.090 4.262 4.170 0.003 0.000 0.283 16 I C 0.580 176.749 176.117 0.087 0.000 1.023 16 I CA -0.528 60.833 61.300 0.103 0.000 1.100 16 I CB 1.060 39.152 38.000 0.153 0.000 1.238 16 I HN 0.574 nan 8.210 nan 0.000 0.445 17 K N 4.175 124.578 120.400 0.005 0.000 3.088 17 K HA -0.255 4.067 4.320 0.003 0.000 0.273 17 K C 0.988 177.617 176.600 0.049 0.000 1.111 17 K CA 0.826 57.098 56.287 -0.026 0.000 0.803 17 K CB -1.212 31.172 32.500 -0.192 0.000 1.226 17 K HN 1.171 nan 8.250 nan 0.000 0.485 18 G N -0.646 108.193 108.800 0.066 0.000 2.195 18 G HA2 -0.245 3.717 3.960 0.003 0.000 0.224 18 G HA3 -0.245 3.717 3.960 0.003 0.000 0.224 18 G C -0.245 174.705 174.900 0.082 0.000 0.990 18 G CA 0.040 45.179 45.100 0.064 0.000 0.639 18 G HN 0.108 nan 8.290 nan 0.000 0.514 19 R N 0.215 120.794 120.500 0.132 0.000 2.589 19 R HA 0.576 4.918 4.340 0.003 0.000 0.293 19 R C -0.002 176.381 176.300 0.139 0.000 0.963 19 R CA -0.999 55.176 56.100 0.124 0.000 0.905 19 R CB 1.353 31.740 30.300 0.146 0.000 1.144 19 R HN 0.301 nan 8.270 nan 0.000 0.459 20 R N 2.592 123.160 120.500 0.113 0.000 2.267 20 R HA 0.309 4.651 4.340 0.003 0.000 0.319 20 R C -0.263 176.181 176.300 0.240 0.000 1.067 20 R CA 0.020 56.218 56.100 0.163 0.000 0.936 20 R CB 0.623 30.967 30.300 0.073 0.000 1.006 20 R HN 0.470 nan 8.270 nan 0.000 0.452 21 M N 2.837 122.619 119.600 0.303 0.000 2.404 21 M HA 0.411 4.893 4.480 0.003 0.000 0.338 21 M C -0.375 176.168 176.300 0.405 0.000 1.150 21 M CA -0.732 54.755 55.300 0.312 0.000 1.016 21 M CB 2.175 34.932 32.600 0.263 0.000 1.672 21 M HN 0.627 nan 8.290 nan 0.000 0.448 22 A N 2.890 125.906 122.820 0.327 0.000 2.312 22 A HA 0.874 5.196 4.320 0.003 0.000 0.328 22 A C -1.431 176.284 177.584 0.218 0.000 1.158 22 A CA -0.391 51.716 52.037 0.118 0.000 0.821 22 A CB 0.688 19.717 19.000 0.048 0.000 1.170 22 A HN 0.830 nan 8.150 nan 0.000 0.490 23 Y N -1.131 119.101 120.300 -0.113 0.000 2.624 23 Y HA 0.700 5.251 4.550 0.002 0.000 0.334 23 Y C -1.339 174.534 175.900 -0.045 0.000 1.155 23 Y CA -1.550 56.548 58.100 -0.003 0.000 1.046 23 Y CB 0.641 39.137 38.460 0.060 0.000 1.316 23 Y HN 0.522 nan 8.280 nan 0.000 0.457 24 I N 2.374 123.016 120.570 0.121 0.000 2.392 24 I HA 0.373 4.545 4.170 0.003 0.000 0.295 24 I C -1.114 175.109 176.117 0.178 0.000 0.985 24 I CA -0.216 61.115 61.300 0.052 0.000 1.221 24 I CB 1.577 39.673 38.000 0.161 0.000 1.366 24 I HN 0.681 nan 8.210 nan 0.000 0.467 25 D N 6.101 126.550 120.400 0.082 0.000 2.375 25 D HA 0.286 4.928 4.640 0.003 0.000 0.241 25 D C -1.127 175.215 176.300 0.070 0.000 1.361 25 D CA -0.307 53.789 54.000 0.161 0.000 0.995 25 D CB 1.096 42.062 40.800 0.277 0.000 1.312 25 D HN 0.275 nan 8.370 nan 0.000 0.576 26 E N 1.665 121.928 120.200 0.106 0.000 2.266 26 E HA 0.662 5.014 4.350 0.003 0.000 0.268 26 E C 0.663 177.313 176.600 0.083 0.000 0.879 26 E CA -0.606 55.822 56.400 0.047 0.000 0.762 26 E CB 1.802 31.486 29.700 -0.027 0.000 1.199 26 E HN 0.740 nan 8.360 nan 0.000 0.422 27 G N 1.287 110.112 108.800 0.042 0.000 2.725 27 G HA2 -0.164 3.798 3.960 0.003 0.000 0.220 27 G HA3 -0.164 3.798 3.960 0.003 0.000 0.220 27 G C -0.373 174.553 174.900 0.044 0.000 1.357 27 G CA -0.122 45.007 45.100 0.048 0.000 0.866 27 G HN 0.694 nan 8.290 nan 0.000 0.548 28 T N -1.299 113.278 114.554 0.038 0.000 2.841 28 T HA 0.926 5.278 4.350 0.003 0.000 0.296 28 T C 0.471 175.186 174.700 0.025 0.000 1.166 28 T CA 1.575 63.693 62.100 0.030 0.000 1.007 28 T CB 1.195 70.076 68.868 0.022 0.000 1.253 28 T HN 2.967 nan 8.240 nan 0.000 0.511 29 G N 1.958 110.769 108.800 0.017 0.000 2.422 29 G HA2 0.058 4.020 3.960 0.003 0.000 0.607 29 G HA3 0.058 4.020 3.960 0.003 0.000 0.607 29 G C -1.503 173.398 174.900 0.001 0.000 1.270 29 G CA -0.499 44.607 45.100 0.009 0.000 0.992 29 G HN 0.819 nan 8.290 nan 0.000 0.499 30 D N 1.740 122.135 120.400 -0.009 0.000 2.400 30 D HA 0.452 5.094 4.640 0.003 0.000 0.238 30 D C -1.919 174.362 176.300 -0.033 0.000 1.157 30 D CA -0.150 53.836 54.000 -0.022 0.000 0.889 30 D CB 0.626 41.409 40.800 -0.028 0.000 1.199 30 D HN 0.226 nan 8.370 nan 0.000 0.436 31 P HA 0.259 nan 4.420 nan 0.000 0.275 31 P C -0.425 176.805 177.300 -0.117 0.000 1.228 31 P CA -0.091 62.957 63.100 -0.086 0.000 0.786 31 P CB 0.649 32.260 31.700 -0.148 0.000 0.927 32 I N 2.910 123.424 120.570 -0.094 0.000 2.439 32 I HA 0.242 4.413 4.170 0.003 0.000 0.283 32 I C -0.686 175.314 176.117 -0.196 0.000 1.023 32 I CA -0.812 60.384 61.300 -0.172 0.000 1.100 32 I CB 1.466 39.432 38.000 -0.057 0.000 1.238 32 I HN 0.104 nan 8.210 nan 0.000 0.445 33 L N 7.835 128.814 121.223 -0.407 0.000 2.276 33 L HA 0.523 4.865 4.340 0.003 0.000 0.286 33 L C -1.108 175.459 176.870 -0.506 0.000 1.024 33 L CA 0.000 54.600 54.840 -0.400 0.000 0.826 33 L CB 0.384 42.057 42.059 -0.645 0.000 1.211 33 L HN 0.198 nan 8.230 nan 0.000 0.422 34 F N 3.574 123.259 119.950 -0.441 0.000 2.405 34 F HA 0.579 5.106 4.527 0.001 0.000 0.355 34 F C 0.279 175.866 175.800 -0.355 0.000 1.121 34 F CA -0.486 57.038 58.000 -0.793 0.000 1.112 34 F CB 1.346 39.561 39.000 -1.309 0.000 1.126 34 F HN 0.394 nan 8.300 nan 0.000 0.481 35 Q N 4.065 123.896 119.800 0.052 0.000 2.327 35 Q HA 0.203 4.545 4.340 0.003 0.000 0.270 35 Q C -0.392 176.038 176.000 0.718 0.000 1.022 35 Q CA -0.666 55.387 55.803 0.417 0.000 0.773 35 Q CB 0.712 29.638 28.738 0.313 0.000 1.251 35 Q HN 0.690 nan 8.270 nan 0.000 0.457 36 H N 1.301 120.839 119.070 0.781 0.000 2.534 36 H HA 0.747 5.305 4.556 0.003 0.000 0.364 36 H C -0.351 175.178 175.328 0.335 0.000 1.328 36 H CA -0.092 56.290 56.048 0.557 0.000 1.415 36 H CB 0.889 30.898 29.762 0.412 0.000 1.573 36 H HN 0.638 nan 8.280 nan 0.000 0.601 37 G N 0.062 109.060 108.800 0.331 0.000 3.264 37 G HA2 0.114 4.076 3.960 0.003 0.000 0.168 37 G HA3 0.114 4.076 3.960 0.003 0.000 0.168 37 G C -0.739 174.305 174.900 0.240 0.000 1.145 37 G CA -0.779 44.375 45.100 0.091 0.000 0.855 37 G HN 0.676 nan 8.290 nan 0.000 0.629 38 N N 1.277 120.033 118.700 0.093 0.000 2.438 38 N HA 0.515 5.257 4.740 0.003 0.000 0.282 38 N C -2.379 173.314 175.510 0.304 0.000 1.037 38 N CA -1.968 51.138 53.050 0.094 0.000 0.942 38 N CB 2.205 40.600 38.487 -0.153 0.000 1.136 38 N HN 0.075 nan 8.380 nan 0.000 0.481 39 P HA 0.187 nan 4.420 nan 0.000 0.223 39 P C -0.609 176.864 177.300 0.287 0.000 1.878 39 P CA -0.267 62.900 63.100 0.112 0.000 1.038 39 P CB -0.045 31.616 31.700 -0.065 0.000 1.774 40 T N -2.267 112.488 114.554 0.335 0.000 2.920 40 T HA 0.732 5.084 4.350 0.003 0.000 0.292 40 T C 0.421 175.082 174.700 -0.064 0.000 1.093 40 T CA -0.434 61.837 62.100 0.285 0.000 0.944 40 T CB 0.901 69.949 68.868 0.300 0.000 1.605 40 T HN 0.251 nan 8.240 nan 0.000 0.590 41 S N -1.254 114.256 115.700 -0.316 0.000 2.757 41 S HA 0.394 4.866 4.470 0.003 0.000 0.285 41 S C 1.327 175.790 174.600 -0.227 0.000 1.196 41 S CA -0.012 57.726 58.200 -0.771 0.000 0.856 41 S CB 0.652 63.725 63.200 -0.212 0.000 1.212 41 S HN 1.215 nan 8.310 nan 0.000 0.516 42 S N 0.041 115.793 115.700 0.086 0.000 2.420 42 S HA -0.216 4.256 4.470 0.003 0.000 0.237 42 S C 1.508 176.265 174.600 0.261 0.000 1.023 42 S CA 1.518 59.922 58.200 0.340 0.000 0.991 42 S CB -1.244 62.132 63.200 0.293 0.000 0.792 42 S HN 0.783 nan 8.310 nan 0.000 0.488 43 Y N 2.042 122.339 120.300 -0.004 0.000 2.298 43 Y HA -0.089 4.464 4.550 0.005 0.000 0.287 43 Y C 2.118 177.963 175.900 -0.092 0.000 1.164 43 Y CA 1.097 59.138 58.100 -0.099 0.000 1.229 43 Y CB -0.366 37.918 38.460 -0.294 0.000 0.977 43 Y HN 0.271 nan 8.280 nan 0.000 0.538 44 L N -1.090 120.131 121.223 -0.003 0.000 2.127 44 L HA -0.247 4.094 4.340 0.003 0.000 0.211 44 L C 1.049 177.701 176.870 -0.363 0.000 1.089 44 L CA 1.879 56.621 54.840 -0.164 0.000 0.757 44 L CB -0.462 41.391 42.059 -0.343 0.000 0.899 44 L HN 0.462 nan 8.230 nan 0.000 0.434 45 W N -0.053 121.224 121.300 -0.038 0.000 3.316 45 W HA 0.121 4.782 4.660 0.002 0.000 0.327 45 W C 2.261 178.596 176.519 -0.306 0.000 1.232 45 W CA -0.443 56.810 57.345 -0.154 0.000 1.805 45 W CB -0.099 29.240 29.460 -0.202 0.000 1.090 45 W HN 0.118 nan 8.180 nan 0.000 0.654 46 R N 0.809 121.227 120.500 -0.137 0.000 2.117 46 R HA -0.157 4.185 4.340 0.003 0.000 0.243 46 R C 0.931 177.140 176.300 -0.151 0.000 1.143 46 R CA 1.710 57.701 56.100 -0.181 0.000 0.968 46 R CB -0.633 29.469 30.300 -0.330 0.000 0.863 46 R HN 0.121 nan 8.270 nan 0.000 0.444 47 N N -0.036 118.593 118.700 -0.118 0.000 2.236 47 N HA 0.171 4.913 4.740 0.003 0.000 0.196 47 N C 1.274 176.810 175.510 0.043 0.000 1.114 47 N CA 0.340 53.369 53.050 -0.034 0.000 0.859 47 N CB 0.591 39.063 38.487 -0.025 0.000 0.982 47 N HN 0.349 nan 8.380 nan 0.000 0.493 48 I N 0.057 120.625 120.570 -0.004 0.000 3.039 48 I HA 0.054 4.226 4.170 0.003 0.000 0.270 48 I C 1.970 178.069 176.117 -0.030 0.000 1.150 48 I CA 0.325 61.665 61.300 0.065 0.000 1.448 48 I CB 0.083 38.202 38.000 0.200 0.000 1.197 48 I HN -0.057 nan 8.210 nan 0.000 0.450 49 M N 0.861 120.204 119.600 -0.429 0.000 2.149 49 M HA -0.151 4.331 4.480 0.003 0.000 0.261 49 M C -0.568 175.411 176.300 -0.534 0.000 1.064 49 M CA 2.229 57.050 55.300 -0.799 0.000 1.102 49 M CB -1.443 30.252 32.600 -1.508 0.000 1.369 49 M HN 0.052 nan 8.290 nan 0.000 0.408 50 P HA -0.150 nan 4.420 nan 0.000 0.218 50 P C 0.738 178.007 177.300 -0.052 0.000 1.148 50 P CA 1.377 64.433 63.100 -0.074 0.000 0.822 50 P CB -0.180 31.518 31.700 -0.003 0.000 0.784 51 H N -2.415 116.630 119.070 -0.042 0.000 2.457 51 H HA -0.064 4.494 4.556 0.003 0.000 0.297 51 H C 1.175 176.521 175.328 0.029 0.000 1.092 51 H CA 1.087 57.139 56.048 0.008 0.000 1.309 51 H CB -0.787 28.988 29.762 0.022 0.000 1.382 51 H HN 0.178 nan 8.280 nan 0.000 0.535 52 C N 0.810 120.189 119.300 0.133 0.000 2.693 52 C HA 0.544 5.006 4.460 0.003 0.000 0.286 52 C C 1.229 176.271 174.990 0.087 0.000 1.277 52 C CA -0.438 58.650 59.018 0.116 0.000 1.705 52 C CB -1.555 26.283 27.740 0.164 0.000 1.879 52 C HN 0.536 nan 8.230 nan 0.000 0.607 53 A N 0.653 123.520 122.820 0.078 0.000 2.567 53 A HA 0.412 4.734 4.320 0.003 0.000 0.240 53 A C 1.492 179.113 177.584 0.062 0.000 1.053 53 A CA 1.244 53.335 52.037 0.090 0.000 0.755 53 A CB -0.478 18.570 19.000 0.080 0.000 0.978 53 A HN 1.525 nan 8.150 nan 0.000 0.507 54 G N 1.139 109.976 108.800 0.061 0.000 2.205 54 G HA2 -0.261 3.701 3.960 0.003 0.000 0.261 54 G HA3 -0.261 3.701 3.960 0.003 0.000 0.261 54 G C 0.672 175.593 174.900 0.035 0.000 0.980 54 G CA 0.589 45.714 45.100 0.041 0.000 0.632 54 G HN 0.837 nan 8.290 nan 0.000 0.533 55 L N 0.242 121.491 121.223 0.043 0.000 2.529 55 L HA 0.524 4.866 4.340 0.003 0.000 0.223 55 L C 1.451 178.335 176.870 0.024 0.000 1.113 55 L CA 0.802 55.660 54.840 0.030 0.000 0.861 55 L CB 0.093 42.173 42.059 0.036 0.000 1.012 55 L HN 0.718 nan 8.230 nan 0.000 0.461 56 G N -0.335 108.488 108.800 0.038 0.000 2.320 56 G HA2 0.154 4.116 3.960 0.003 0.000 0.296 56 G HA3 0.154 4.116 3.960 0.003 0.000 0.296 56 G C -1.589 173.342 174.900 0.052 0.000 1.306 56 G CA -0.893 44.225 45.100 0.031 0.000 0.836 56 G HN -0.096 nan 8.290 nan 0.000 0.517 57 R N 0.392 120.917 120.500 0.041 0.000 2.248 57 R HA 0.439 4.781 4.340 0.003 0.000 0.328 57 R C -0.348 176.002 176.300 0.083 0.000 1.067 57 R CA -0.348 55.786 56.100 0.058 0.000 0.924 57 R CB -0.105 30.215 30.300 0.034 0.000 1.013 57 R HN 0.362 nan 8.270 nan 0.000 0.454 58 L N 7.339 128.642 121.223 0.132 0.000 2.261 58 L HA 0.407 4.749 4.340 0.003 0.000 0.289 58 L C -0.208 176.762 176.870 0.167 0.000 1.059 58 L CA -0.332 54.607 54.840 0.166 0.000 0.816 58 L CB 0.806 42.961 42.059 0.160 0.000 1.191 58 L HN 0.541 nan 8.230 nan 0.000 0.431 59 I N 2.983 123.650 120.570 0.162 0.000 2.545 59 I HA 0.676 4.848 4.170 0.003 0.000 0.292 59 I C -0.202 176.022 176.117 0.179 0.000 1.040 59 I CA -0.558 60.837 61.300 0.159 0.000 1.068 59 I CB 2.200 40.241 38.000 0.069 0.000 1.251 59 I HN 0.625 nan 8.210 nan 0.000 0.424 60 A N 5.209 128.158 122.820 0.215 0.000 2.411 60 A HA 0.603 4.925 4.320 0.003 0.000 0.285 60 A C -0.892 176.899 177.584 0.344 0.000 1.129 60 A CA -0.370 51.824 52.037 0.262 0.000 0.736 60 A CB 0.781 19.920 19.000 0.233 0.000 1.186 60 A HN 0.755 nan 8.150 nan 0.000 0.445 61 C N 1.673 121.206 119.300 0.389 0.000 2.463 61 C HA 0.529 4.991 4.460 0.003 0.000 0.380 61 C C -0.033 175.235 174.990 0.463 0.000 1.264 61 C CA -0.454 58.809 59.018 0.408 0.000 2.161 61 C CB 0.449 28.435 27.740 0.410 0.000 2.515 61 C HN 0.757 nan 8.230 nan 0.000 0.565 62 D N 2.504 123.145 120.400 0.403 0.000 2.280 62 D HA 0.377 5.018 4.640 0.003 0.000 0.243 62 D C 0.143 176.699 176.300 0.427 0.000 1.129 62 D CA 0.061 54.329 54.000 0.447 0.000 0.848 62 D CB 0.866 41.822 40.800 0.260 0.000 1.107 62 D HN 0.385 nan 8.370 nan 0.000 0.471 63 L N 1.971 123.519 121.223 0.541 0.000 2.482 63 L HA 0.064 4.406 4.340 0.003 0.000 0.273 63 L C 0.996 178.062 176.870 0.326 0.000 1.228 63 L CA -0.568 54.504 54.840 0.387 0.000 0.827 63 L CB 0.246 42.561 42.059 0.428 0.000 1.099 63 L HN 0.310 nan 8.230 nan 0.000 0.494 64 I N 1.830 122.519 120.570 0.198 0.000 2.845 64 I HA 0.065 4.237 4.170 0.003 0.000 0.296 64 I C 1.214 177.413 176.117 0.136 0.000 1.216 64 I CA 1.608 62.906 61.300 -0.004 0.000 1.438 64 I CB 0.535 38.246 38.000 -0.482 0.000 1.342 64 I HN 0.765 nan 8.210 nan 0.000 0.577 65 G N 5.397 114.274 108.800 0.127 0.000 2.189 65 G HA2 -0.285 3.677 3.960 0.003 0.000 0.267 65 G HA3 -0.285 3.677 3.960 0.003 0.000 0.267 65 G C 0.266 175.220 174.900 0.091 0.000 0.975 65 G CA 0.659 45.844 45.100 0.142 0.000 0.644 65 G HN 0.575 nan 8.290 nan 0.000 0.537 66 M N -0.799 118.886 119.600 0.143 0.000 2.716 66 M HA 0.590 5.071 4.480 0.003 0.000 0.307 66 M C 1.357 177.663 176.300 0.010 0.000 1.223 66 M CA -0.020 55.343 55.300 0.106 0.000 0.871 66 M CB 1.860 34.694 32.600 0.390 0.000 1.739 66 M HN 1.154 nan 8.290 nan 0.000 0.475 67 G N 1.028 109.750 108.800 -0.129 0.000 2.651 67 G HA2 -0.251 3.711 3.960 0.003 0.000 0.315 67 G HA3 -0.251 3.711 3.960 0.003 0.000 0.315 67 G C 0.032 174.897 174.900 -0.058 0.000 1.258 67 G CA 0.576 45.621 45.100 -0.092 0.000 1.002 67 G HN 0.812 nan 8.290 nan 0.000 0.551 68 D N 1.183 121.606 120.400 0.039 0.000 2.402 68 D HA 0.327 4.969 4.640 0.003 0.000 0.216 68 D C 0.675 177.087 176.300 0.187 0.000 1.128 68 D CA 0.447 54.511 54.000 0.107 0.000 0.833 68 D CB 0.364 41.267 40.800 0.172 0.000 0.971 68 D HN 0.243 nan 8.370 nan 0.000 0.503 69 S N 1.171 116.962 115.700 0.152 0.000 2.584 69 S HA 0.103 4.575 4.470 0.003 0.000 0.273 69 S C 0.178 174.838 174.600 0.099 0.000 1.311 69 S CA -0.635 57.665 58.200 0.168 0.000 1.034 69 S CB 1.467 64.767 63.200 0.166 0.000 0.939 69 S HN 0.070 nan 8.310 nan 0.000 0.513 70 D N 2.395 122.846 120.400 0.085 0.000 2.419 70 D HA 0.078 4.720 4.640 0.003 0.000 0.236 70 D C 0.246 176.562 176.300 0.026 0.000 1.165 70 D CA 0.375 54.398 54.000 0.039 0.000 0.882 70 D CB 0.444 41.262 40.800 0.030 0.000 1.201 70 D HN 0.204 nan 8.370 nan 0.000 0.443 71 K N 1.163 121.583 120.400 0.034 0.000 2.144 71 K HA 0.357 4.679 4.320 0.003 0.000 0.270 71 K C 0.066 176.679 176.600 0.021 0.000 1.005 71 K CA -0.545 55.790 56.287 0.080 0.000 0.932 71 K CB 0.899 33.451 32.500 0.086 0.000 1.021 71 K HN 0.334 nan 8.250 nan 0.000 0.462 72 L N 1.591 122.811 121.223 -0.005 0.000 2.350 72 L HA 0.215 4.557 4.340 0.003 0.000 0.275 72 L C 0.111 176.927 176.870 -0.090 0.000 1.099 72 L CA -0.241 54.502 54.840 -0.162 0.000 0.808 72 L CB 0.629 42.404 42.059 -0.473 0.000 1.149 72 L HN 0.542 nan 8.230 nan 0.000 0.442 73 D N 3.503 123.858 120.400 -0.075 0.000 2.890 73 D HA 0.346 4.988 4.640 0.003 0.000 0.233 73 D C -2.229 174.042 176.300 -0.049 0.000 1.306 73 D CA -0.987 52.986 54.000 -0.044 0.000 0.929 73 D CB 1.736 42.527 40.800 -0.016 0.000 1.512 73 D HN 0.269 nan 8.370 nan 0.000 0.568 74 P HA 0.319 nan 4.420 nan 0.000 0.270 74 P C -0.724 176.527 177.300 -0.082 0.000 1.223 74 P CA -0.408 62.661 63.100 -0.052 0.000 0.785 74 P CB 1.074 32.748 31.700 -0.044 0.000 0.923 75 S N -0.893 114.780 115.700 -0.046 0.000 2.549 75 S HA 0.779 5.250 4.470 0.003 0.000 0.280 75 S C -0.435 174.164 174.600 -0.003 0.000 1.109 75 S CA 0.165 58.346 58.200 -0.033 0.000 0.905 75 S CB 1.419 64.657 63.200 0.064 0.000 1.081 75 S HN 1.019 nan 8.310 nan 0.000 0.477 76 G N 2.650 111.452 108.800 0.003 0.000 2.341 76 G HA2 0.407 4.369 3.960 0.003 0.000 0.299 76 G HA3 0.407 4.369 3.960 0.003 0.000 0.299 76 G C -2.799 172.105 174.900 0.007 0.000 1.274 76 G CA -0.565 44.540 45.100 0.007 0.000 0.853 76 G HN 0.411 nan 8.290 nan 0.000 0.493 77 P HA -0.004 nan 4.420 nan 0.000 0.218 77 P C 1.113 178.407 177.300 -0.010 0.000 1.146 77 P CA 1.330 64.431 63.100 0.002 0.000 0.813 77 P CB 0.224 31.928 31.700 0.006 0.000 0.778 78 E N -1.668 118.519 120.200 -0.022 0.000 2.479 78 E HA 0.031 4.382 4.350 0.003 0.000 0.193 78 E C 0.867 177.424 176.600 -0.071 0.000 1.049 78 E CA -0.164 56.214 56.400 -0.037 0.000 0.870 78 E CB 0.090 29.769 29.700 -0.035 0.000 0.944 78 E HN 0.052 nan 8.360 nan 0.000 0.492 79 R N -0.378 120.074 120.500 -0.080 0.000 2.532 79 R HA 0.088 4.430 4.340 0.003 0.000 0.272 79 R C -0.765 175.476 176.300 -0.100 0.000 1.032 79 R CA -0.305 55.686 56.100 -0.182 0.000 1.089 79 R CB 0.102 30.249 30.300 -0.255 0.000 1.098 79 R HN 0.008 nan 8.270 nan 0.000 0.526 80 Y N -0.925 119.210 120.300 -0.275 0.000 3.929 80 Y HA -0.277 4.275 4.550 0.003 0.000 0.225 80 Y C 0.158 175.797 175.900 -0.435 0.000 1.200 80 Y CA 0.588 58.438 58.100 -0.418 0.000 1.791 80 Y CB -2.378 35.849 38.460 -0.388 0.000 1.561 80 Y HN 0.648 nan 8.280 nan 0.000 0.657 81 A N -0.452 122.255 122.820 -0.189 0.000 2.296 81 A HA 0.376 4.698 4.320 0.003 0.000 0.264 81 A C 1.085 178.573 177.584 -0.160 0.000 1.097 81 A CA 0.166 52.097 52.037 -0.176 0.000 0.811 81 A CB 0.122 19.087 19.000 -0.058 0.000 1.072 81 A HN 0.477 nan 8.150 nan 0.000 0.495 82 Y N 0.743 120.933 120.300 -0.183 0.000 2.114 82 Y HA -0.233 4.319 4.550 0.003 0.000 0.282 82 Y C 2.410 178.375 175.900 0.107 0.000 1.165 82 Y CA 2.973 61.079 58.100 0.011 0.000 1.148 82 Y CB -0.443 38.102 38.460 0.142 0.000 0.972 82 Y HN 0.603 nan 8.280 nan 0.000 0.504 83 A N -0.213 122.735 122.820 0.213 0.000 1.972 83 A HA -0.232 4.090 4.320 0.003 0.000 0.219 83 A C 2.186 179.774 177.584 0.007 0.000 1.169 83 A CA 1.842 53.956 52.037 0.128 0.000 0.635 83 A CB -0.834 18.259 19.000 0.154 0.000 0.810 83 A HN 0.696 nan 8.150 nan 0.000 0.446 84 E N -1.256 118.927 120.200 -0.029 0.000 2.107 84 E HA -0.204 4.148 4.350 0.003 0.000 0.191 84 E C 1.738 178.330 176.600 -0.014 0.000 0.982 84 E CA 0.992 57.366 56.400 -0.043 0.000 0.809 84 E CB -0.188 29.431 29.700 -0.135 0.000 0.756 84 E HN 0.800 nan 8.360 nan 0.000 0.459 85 H N -0.228 118.780 119.070 -0.104 0.000 2.353 85 H HA -0.058 4.500 4.556 0.003 0.000 0.300 85 H C 2.176 177.461 175.328 -0.071 0.000 1.090 85 H CA 1.900 57.911 56.048 -0.061 0.000 1.327 85 H CB 0.087 29.802 29.762 -0.078 0.000 1.383 85 H HN 0.004 nan 8.280 nan 0.000 0.508 86 R N 0.441 120.905 120.500 -0.060 0.000 2.096 86 R HA -0.154 4.188 4.340 0.003 0.000 0.235 86 R C 1.711 177.988 176.300 -0.039 0.000 1.127 86 R CA 1.893 57.930 56.100 -0.105 0.000 0.968 86 R CB -0.096 30.119 30.300 -0.143 0.000 0.861 86 R HN 0.313 nan 8.270 nan 0.000 0.440 87 D N -0.759 119.630 120.400 -0.019 0.000 2.097 87 D HA -0.190 4.452 4.640 0.003 0.000 0.195 87 D C 1.474 177.691 176.300 -0.138 0.000 0.989 87 D CA 1.403 55.360 54.000 -0.071 0.000 0.827 87 D CB -0.088 40.651 40.800 -0.103 0.000 0.966 87 D HN 0.281 nan 8.370 nan 0.000 0.456 88 Y N -0.373 119.873 120.300 -0.089 0.000 2.200 88 Y HA -0.032 4.520 4.550 0.003 0.000 0.290 88 Y C 2.080 177.910 175.900 -0.116 0.000 1.137 88 Y CA 0.625 58.678 58.100 -0.080 0.000 1.163 88 Y CB -0.366 38.050 38.460 -0.074 0.000 0.988 88 Y HN 0.052 nan 8.280 nan 0.000 0.518 89 L N 0.111 121.301 121.223 -0.056 0.000 2.056 89 L HA -0.194 4.148 4.340 0.003 0.000 0.207 89 L C 1.686 178.281 176.870 -0.459 0.000 1.078 89 L CA 1.824 56.436 54.840 -0.381 0.000 0.749 89 L CB -0.768 40.937 42.059 -0.590 0.000 0.901 89 L HN 0.073 nan 8.230 nan 0.000 0.433 90 D N -0.411 119.867 120.400 -0.202 0.000 2.123 90 D HA -0.190 4.451 4.640 0.003 0.000 0.196 90 D C 2.195 178.537 176.300 0.069 0.000 0.992 90 D CA 1.567 55.590 54.000 0.039 0.000 0.833 90 D CB -0.181 40.697 40.800 0.130 0.000 0.954 90 D HN 0.455 nan 8.370 nan 0.000 0.455 91 A N 0.309 123.126 122.820 -0.004 0.000 1.898 91 A HA -0.119 4.203 4.320 0.003 0.000 0.216 91 A C 2.121 179.729 177.584 0.041 0.000 1.181 91 A CA 1.077 53.119 52.037 0.009 0.000 0.620 91 A CB -0.744 18.219 19.000 -0.063 0.000 0.819 91 A HN 0.269 nan 8.150 nan 0.000 0.442 92 L N -1.347 119.890 121.223 0.024 0.000 2.017 92 L HA -0.125 4.217 4.340 0.003 0.000 0.208 92 L C 2.177 179.137 176.870 0.149 0.000 1.073 92 L CA 1.851 56.727 54.840 0.059 0.000 0.745 92 L CB -0.828 41.264 42.059 0.054 0.000 0.894 92 L HN 0.555 nan 8.230 nan 0.000 0.432 93 W N 0.323 121.573 121.300 -0.083 0.000 2.342 93 W HA -0.175 4.488 4.660 0.005 0.000 0.297 93 W C 2.757 179.249 176.519 -0.045 0.000 1.213 93 W CA 1.430 58.697 57.345 -0.130 0.000 1.251 93 W CB -0.975 28.330 29.460 -0.258 0.000 1.136 93 W HN 0.338 nan 8.180 nan 0.000 0.526 94 E N 0.272 120.610 120.200 0.230 0.000 2.072 94 E HA -0.119 4.233 4.350 0.003 0.000 0.191 94 E C 2.225 178.878 176.600 0.088 0.000 0.985 94 E CA 1.959 58.452 56.400 0.155 0.000 0.801 94 E CB -0.693 29.089 29.700 0.137 0.000 0.750 94 E HN -0.003 nan 8.360 nan 0.000 0.452 95 A N 0.516 123.376 122.820 0.067 0.000 1.978 95 A HA -0.130 4.192 4.320 0.003 0.000 0.220 95 A C 2.214 179.801 177.584 0.006 0.000 1.170 95 A CA 1.390 53.448 52.037 0.035 0.000 0.636 95 A CB -0.725 18.291 19.000 0.027 0.000 0.810 95 A HN 0.362 nan 8.150 nan 0.000 0.448 96 L N -1.040 120.168 121.223 -0.024 0.000 2.465 96 L HA -0.072 4.270 4.340 0.003 0.000 0.224 96 L C 0.466 177.321 176.870 -0.026 0.000 1.145 96 L CA 0.574 55.372 54.840 -0.071 0.000 0.834 96 L CB -0.504 41.469 42.059 -0.143 0.000 0.944 96 L HN 0.417 nan 8.230 nan 0.000 0.451 97 D N 0.074 120.478 120.400 0.005 0.000 2.828 97 D HA -0.196 4.446 4.640 0.003 0.000 0.241 97 D C 0.688 176.988 176.300 0.000 0.000 1.142 97 D CA 0.402 54.411 54.000 0.016 0.000 0.755 97 D CB -0.947 39.865 40.800 0.020 0.000 1.014 97 D HN 0.208 nan 8.370 nan 0.000 0.420 98 L N 0.179 121.396 121.223 -0.008 0.000 2.395 98 L HA 0.244 4.586 4.340 0.003 0.000 0.218 98 L C 2.061 178.928 176.870 -0.006 0.000 1.130 98 L CA 0.573 55.389 54.840 -0.039 0.000 0.826 98 L CB -0.609 41.389 42.059 -0.102 0.000 0.941 98 L HN 0.592 nan 8.230 nan 0.000 0.451 99 G N 1.626 110.442 108.800 0.026 0.000 2.642 99 G HA2 -0.314 3.648 3.960 0.003 0.000 0.231 99 G HA3 -0.314 3.648 3.960 0.003 0.000 0.231 99 G C -0.077 174.854 174.900 0.052 0.000 1.338 99 G CA 0.107 45.226 45.100 0.032 0.000 0.883 99 G HN 0.450 nan 8.290 nan 0.000 0.570 100 D N -0.897 119.528 120.400 0.041 0.000 2.462 100 D HA 0.200 4.842 4.640 0.003 0.000 0.221 100 D C 0.964 177.290 176.300 0.043 0.000 1.173 100 D CA -0.129 53.903 54.000 0.052 0.000 0.831 100 D CB 0.265 41.089 40.800 0.040 0.000 1.001 100 D HN 0.319 nan 8.370 nan 0.000 0.499 101 R N 0.971 121.485 120.500 0.023 0.000 2.835 101 R HA 0.296 4.638 4.340 0.003 0.000 0.290 101 R C -0.875 175.414 176.300 -0.018 0.000 1.410 101 R CA -0.465 55.637 56.100 0.004 0.000 1.590 101 R CB 1.156 31.448 30.300 -0.012 0.000 1.288 101 R HN -0.010 nan 8.270 nan 0.000 0.637 102 V N 1.444 121.358 119.914 0.001 0.000 2.498 102 V HA 0.280 4.402 4.120 0.003 0.000 0.279 102 V C 0.584 176.639 176.094 -0.065 0.000 1.048 102 V CA -0.661 61.602 62.300 -0.062 0.000 0.967 102 V CB 2.012 33.783 31.823 -0.087 0.000 0.988 102 V HN 0.018 nan 8.190 nan 0.000 0.473 103 V N 6.821 126.657 119.914 -0.131 0.000 2.350 103 V HA 0.383 4.505 4.120 0.003 0.000 0.276 103 V C 0.017 175.985 176.094 -0.211 0.000 1.028 103 V CA -0.384 61.843 62.300 -0.121 0.000 0.860 103 V CB 1.382 33.119 31.823 -0.144 0.000 0.990 103 V HN 0.619 nan 8.190 nan 0.000 0.453 104 L N 5.731 126.879 121.223 -0.125 0.000 2.292 104 L HA 0.583 4.925 4.340 0.003 0.000 0.284 104 L C -0.535 176.219 176.870 -0.194 0.000 1.065 104 L CA -0.513 54.215 54.840 -0.186 0.000 0.806 104 L CB 1.694 43.742 42.059 -0.018 0.000 1.175 104 L HN 0.348 nan 8.230 nan 0.000 0.431 105 V N 4.488 124.162 119.914 -0.400 0.000 2.409 105 V HA 0.475 4.597 4.120 0.003 0.000 0.290 105 V C -0.192 175.728 176.094 -0.290 0.000 1.017 105 V CA -0.619 61.410 62.300 -0.453 0.000 0.841 105 V CB 1.846 33.037 31.823 -1.053 0.000 1.003 105 V HN 0.535 nan 8.190 nan 0.000 0.426 106 V N 1.243 121.176 119.914 0.032 0.000 3.040 106 V HA 0.749 4.871 4.120 0.003 0.000 0.312 106 V C -0.929 175.395 176.094 0.383 0.000 1.115 106 V CA -0.516 61.903 62.300 0.199 0.000 0.998 106 V CB 2.254 34.081 31.823 0.006 0.000 1.042 106 V HN 0.963 nan 8.190 nan 0.000 0.433 107 H N 0.863 120.078 119.070 0.241 0.000 2.974 107 H HA 0.353 4.911 4.556 0.004 0.000 0.366 107 H C 0.063 175.380 175.328 -0.018 0.000 1.155 107 H CA 0.607 56.719 56.048 0.106 0.000 1.186 107 H CB 2.531 32.356 29.762 0.106 0.000 1.799 107 H HN 1.175 nan 8.280 nan 0.000 0.541 108 D N 2.126 122.141 120.400 -0.641 0.000 3.574 108 D HA -0.348 4.294 4.640 0.003 0.000 0.153 108 D C 0.699 176.692 176.300 -0.511 0.000 0.965 108 D CA 2.634 56.269 54.000 -0.607 0.000 1.047 108 D CB -0.963 39.456 40.800 -0.635 0.000 0.492 108 D HN 0.659 nan 8.370 nan 0.000 0.492 109 W N 0.239 121.287 121.300 -0.420 0.000 2.525 109 W HA 0.181 4.843 4.660 0.003 0.000 0.259 109 W C 2.430 178.730 176.519 -0.366 0.000 1.253 109 W CA 0.576 57.590 57.345 -0.552 0.000 1.262 109 W CB -0.389 28.241 29.460 -1.382 0.000 1.122 109 W HN 0.403 nan 8.180 nan 0.000 0.607 110 G N -0.287 108.464 108.800 -0.082 0.000 2.443 110 G HA2 -0.266 3.696 3.960 0.003 0.000 0.219 110 G HA3 -0.266 3.696 3.960 0.003 0.000 0.219 110 G C 1.577 176.437 174.900 -0.067 0.000 1.131 110 G CA 1.317 46.416 45.100 -0.002 0.000 0.775 110 G HN 0.311 nan 8.290 nan 0.000 0.547 111 S N 0.893 116.458 115.700 -0.225 0.000 2.395 111 S HA 0.271 4.743 4.470 0.003 0.000 0.225 111 S C 2.595 176.759 174.600 -0.726 0.000 1.027 111 S CA 1.238 59.064 58.200 -0.624 0.000 0.965 111 S CB -0.329 62.459 63.200 -0.686 0.000 0.812 111 S HN 0.467 nan 8.310 nan 0.000 0.482 112 A N 2.010 124.670 122.820 -0.268 0.000 1.898 112 A HA 0.187 4.509 4.320 0.003 0.000 0.216 112 A C 2.312 180.075 177.584 0.299 0.000 1.181 112 A CA 1.316 53.392 52.037 0.066 0.000 0.620 112 A CB -0.836 18.435 19.000 0.451 0.000 0.819 112 A HN 0.536 nan 8.150 nan 0.000 0.442 113 L N -0.883 120.533 121.223 0.321 0.000 2.056 113 L HA -0.072 4.270 4.340 0.003 0.000 0.207 113 L C 2.839 179.854 176.870 0.242 0.000 1.078 113 L CA 1.054 56.061 54.840 0.279 0.000 0.749 113 L CB -0.725 41.377 42.059 0.073 0.000 0.901 113 L HN 0.482 nan 8.230 nan 0.000 0.433 114 G N -0.429 108.458 108.800 0.145 0.000 2.402 114 G HA2 -0.240 3.722 3.960 0.003 0.000 0.216 114 G HA3 -0.240 3.722 3.960 0.003 0.000 0.216 114 G C 1.344 176.440 174.900 0.326 0.000 1.162 114 G CA 0.311 45.562 45.100 0.251 0.000 0.777 114 G HN 0.139 nan 8.290 nan 0.000 0.539 115 F N 1.260 121.245 119.950 0.058 0.000 2.171 115 F HA 0.029 4.558 4.527 0.002 0.000 0.300 115 F C 2.226 178.058 175.800 0.054 0.000 1.090 115 F CA 0.775 58.739 58.000 -0.061 0.000 1.293 115 F CB -0.850 37.760 39.000 -0.650 0.000 1.013 115 F HN 0.239 nan 8.300 nan 0.000 0.486 116 D N -1.335 119.255 120.400 0.316 0.000 2.117 116 D HA -0.247 4.395 4.640 0.003 0.000 0.198 116 D C 2.182 178.684 176.300 0.336 0.000 0.982 116 D CA 1.076 55.309 54.000 0.387 0.000 0.828 116 D CB -0.387 40.739 40.800 0.543 0.000 0.967 116 D HN 0.254 nan 8.370 nan 0.000 0.464 117 W N 1.136 122.586 121.300 0.250 0.000 2.338 117 W HA -0.127 4.535 4.660 0.003 0.000 0.304 117 W C 2.241 178.933 176.519 0.289 0.000 1.212 117 W CA 2.288 59.827 57.345 0.323 0.000 1.264 117 W CB -0.408 29.300 29.460 0.412 0.000 1.142 117 W HN 0.066 nan 8.180 nan 0.000 0.512 118 A N 0.400 123.500 122.820 0.467 0.000 1.877 118 A HA -0.205 4.117 4.320 0.003 0.000 0.216 118 A C 2.065 179.431 177.584 -0.363 0.000 1.186 118 A CA 1.823 53.999 52.037 0.232 0.000 0.620 118 A CB -1.046 18.240 19.000 0.477 0.000 0.822 118 A HN 0.391 nan 8.150 nan 0.000 0.443 119 R N -0.329 119.737 120.500 -0.723 0.000 2.117 119 R HA -0.149 4.193 4.340 0.003 0.000 0.243 119 R C 2.116 177.939 176.300 -0.796 0.000 1.143 119 R CA 1.828 57.071 56.100 -1.428 0.000 0.968 119 R CB -0.193 29.596 30.300 -0.850 0.000 0.863 119 R HN 0.521 nan 8.270 nan 0.000 0.444 120 R N -1.527 118.682 120.500 -0.485 0.000 2.275 120 R HA 0.000 4.342 4.340 0.003 0.000 0.199 120 R C 0.161 175.966 176.300 -0.824 0.000 0.989 120 R CA 0.712 56.484 56.100 -0.547 0.000 1.016 120 R CB 0.275 30.295 30.300 -0.466 0.000 0.918 120 R HN 0.391 nan 8.270 nan 0.000 0.473 121 H N -0.710 118.044 119.070 -0.526 0.000 2.790 121 H HA 0.134 4.692 4.556 0.003 0.000 0.232 121 H C 0.791 175.932 175.328 -0.311 0.000 1.313 121 H CA -0.390 55.331 56.048 -0.544 0.000 1.011 121 H CB 0.392 29.479 29.762 -1.124 0.000 2.105 121 H HN 0.084 nan 8.280 nan 0.000 0.580 122 R N 0.464 120.873 120.500 -0.152 0.000 2.139 122 R HA -0.143 4.199 4.340 0.003 0.000 0.243 122 R C 0.438 176.781 176.300 0.071 0.000 1.145 122 R CA 1.583 57.699 56.100 0.026 0.000 0.976 122 R CB 0.032 30.379 30.300 0.078 0.000 0.866 122 R HN 0.209 nan 8.270 nan 0.000 0.449 123 E N 0.944 121.153 120.200 0.016 0.000 2.358 123 E HA -0.034 4.318 4.350 0.003 0.000 0.195 123 E C 1.524 178.152 176.600 0.047 0.000 1.010 123 E CA 0.601 57.020 56.400 0.033 0.000 0.856 123 E CB 0.050 29.755 29.700 0.009 0.000 0.795 123 E HN 0.503 nan 8.360 nan 0.000 0.504 124 R N 0.313 120.845 120.500 0.055 0.000 2.317 124 R HA 0.150 4.492 4.340 0.003 0.000 0.208 124 R C 0.080 176.474 176.300 0.156 0.000 0.914 124 R CA -0.003 56.154 56.100 0.095 0.000 1.060 124 R CB 0.772 31.134 30.300 0.103 0.000 1.015 124 R HN -0.139 nan 8.270 nan 0.000 0.498 125 V N 1.540 121.552 119.914 0.164 0.000 2.333 125 V HA 0.068 4.190 4.120 0.003 0.000 0.274 125 V C 0.966 177.133 176.094 0.122 0.000 1.028 125 V CA -0.215 62.201 62.300 0.193 0.000 0.851 125 V CB 1.409 33.402 31.823 0.284 0.000 1.000 125 V HN 0.204 nan 8.190 nan 0.000 0.456 126 Q N 3.703 123.544 119.800 0.068 0.000 2.187 126 Q HA 0.229 4.571 4.340 0.003 0.000 0.199 126 Q C 0.788 176.788 176.000 -0.001 0.000 0.957 126 Q CA 1.080 56.889 55.803 0.009 0.000 0.857 126 Q CB 0.539 29.252 28.738 -0.041 0.000 0.929 126 Q HN 0.918 nan 8.270 nan 0.000 0.453 127 G N -0.176 108.657 108.800 0.055 0.000 2.579 127 G HA2 0.470 4.432 3.960 0.003 0.000 0.292 127 G HA3 0.470 4.432 3.960 0.003 0.000 0.292 127 G C -1.756 173.310 174.900 0.277 0.000 1.484 127 G CA -0.795 44.401 45.100 0.159 0.000 0.813 127 G HN 0.134 nan 8.290 nan 0.000 0.515 128 I N 0.881 121.695 120.570 0.406 0.000 2.478 128 I HA 0.606 4.778 4.170 0.003 0.000 0.287 128 I C 0.179 176.500 176.117 0.340 0.000 1.042 128 I CA -0.933 60.581 61.300 0.356 0.000 1.067 128 I CB 2.176 40.393 38.000 0.360 0.000 1.233 128 I HN 0.695 nan 8.210 nan 0.000 0.431 129 A N 6.742 129.701 122.820 0.232 0.000 2.287 129 A HA 0.789 5.111 4.320 0.003 0.000 0.317 129 A C -1.170 176.550 177.584 0.225 0.000 1.220 129 A CA -0.365 51.709 52.037 0.061 0.000 0.835 129 A CB 0.543 19.503 19.000 -0.067 0.000 1.180 129 A HN 0.668 nan 8.150 nan 0.000 0.500 130 Y N 0.432 120.821 120.300 0.149 0.000 2.570 130 Y HA 0.852 5.404 4.550 0.004 0.000 0.345 130 Y C -0.698 175.340 175.900 0.229 0.000 1.014 130 Y CA -1.884 56.349 58.100 0.222 0.000 1.063 130 Y CB 1.586 40.294 38.460 0.414 0.000 1.272 130 Y HN 0.770 nan 8.280 nan 0.000 0.477 131 M N 0.877 120.644 119.600 0.279 0.000 2.365 131 M HA 0.435 4.917 4.480 0.003 0.000 0.288 131 M C -1.195 175.244 176.300 0.231 0.000 1.152 131 M CA -0.721 54.678 55.300 0.165 0.000 0.948 131 M CB 2.443 35.077 32.600 0.057 0.000 1.729 131 M HN 0.787 nan 8.290 nan 0.000 0.487 132 E N 0.592 120.896 120.200 0.174 0.000 2.197 132 E HA -0.167 4.185 4.350 0.003 0.000 0.184 132 E C -0.677 175.945 176.600 0.037 0.000 1.439 132 E CA 1.208 57.659 56.400 0.085 0.000 0.688 132 E CB -1.026 28.629 29.700 -0.074 0.000 1.090 132 E HN 0.823 nan 8.360 nan 0.000 0.341 133 A N 0.928 123.827 122.820 0.132 0.000 2.269 133 A HA 0.737 5.059 4.320 0.003 0.000 0.327 133 A C 0.528 178.132 177.584 0.033 0.000 1.112 133 A CA -0.608 51.472 52.037 0.072 0.000 0.865 133 A CB 0.912 20.092 19.000 0.300 0.000 1.227 133 A HN 0.286 nan 8.150 nan 0.000 0.498 134 I N 1.552 122.104 120.570 -0.030 0.000 2.316 134 I HA 0.241 4.413 4.170 0.003 0.000 0.286 134 I C 1.093 177.404 176.117 0.323 0.000 1.107 134 I CA -0.047 61.249 61.300 -0.007 0.000 1.219 134 I CB 0.942 38.778 38.000 -0.274 0.000 1.455 134 I HN 0.709 nan 8.210 nan 0.000 0.498 135 A N 7.415 130.453 122.820 0.362 0.000 2.251 135 A HA 0.352 4.674 4.320 0.003 0.000 0.209 135 A C 0.712 178.634 177.584 0.564 0.000 1.187 135 A CA 0.390 52.774 52.037 0.578 0.000 0.823 135 A CB 0.061 19.301 19.000 0.400 0.000 0.846 135 A HN 0.761 nan 8.150 nan 0.000 0.486 136 M N -3.991 115.790 119.600 0.302 0.000 3.015 136 M HA 0.476 4.958 4.480 0.003 0.000 0.272 136 M C -3.469 172.821 176.300 -0.017 0.000 1.085 136 M CA -1.594 53.766 55.300 0.099 0.000 0.795 136 M CB 0.700 33.290 32.600 -0.016 0.000 1.632 136 M HN -0.241 nan 8.290 nan 0.000 0.535 137 P HA 0.498 nan 4.420 nan 0.000 0.275 137 P C -1.086 176.155 177.300 -0.099 0.000 1.228 137 P CA -0.270 62.772 63.100 -0.096 0.000 0.786 137 P CB 0.491 32.125 31.700 -0.111 0.000 0.927 138 I N -1.798 118.710 120.570 -0.104 0.000 3.445 138 I HA 0.673 4.845 4.170 0.003 0.000 0.303 138 I C -0.353 175.683 176.117 -0.135 0.000 1.129 138 I CA -1.198 60.041 61.300 -0.101 0.000 0.989 138 I CB 1.745 39.702 38.000 -0.072 0.000 1.314 138 I HN 0.023 nan 8.210 nan 0.000 0.488 139 E N 0.272 120.415 120.200 -0.096 0.000 2.299 139 E HA 0.231 4.583 4.350 0.003 0.000 0.260 139 E C -0.277 176.292 176.600 -0.051 0.000 0.944 139 E CA -0.483 55.872 56.400 -0.075 0.000 0.815 139 E CB 1.454 31.162 29.700 0.014 0.000 1.252 139 E HN 0.796 nan 8.360 nan 0.000 0.418 140 W N 0.844 122.170 121.300 0.043 0.000 2.402 140 W HA -0.097 4.565 4.660 0.003 0.000 0.286 140 W C 1.980 178.553 176.519 0.090 0.000 1.221 140 W CA 1.222 58.601 57.345 0.057 0.000 1.257 140 W CB -0.001 29.468 29.460 0.015 0.000 1.120 140 W HN 0.661 nan 8.180 nan 0.000 0.551 141 A N -0.017 122.960 122.820 0.261 0.000 2.076 141 A HA -0.208 4.114 4.320 0.003 0.000 0.220 141 A C 1.483 179.146 177.584 0.132 0.000 1.160 141 A CA 2.002 54.139 52.037 0.167 0.000 0.653 141 A CB -0.545 18.519 19.000 0.106 0.000 0.801 141 A HN 0.226 nan 8.150 nan 0.000 0.455 142 D N -2.093 118.379 120.400 0.120 0.000 2.346 142 D HA 0.116 4.758 4.640 0.003 0.000 0.206 142 D C 0.069 176.419 176.300 0.084 0.000 1.001 142 D CA -0.037 54.004 54.000 0.068 0.000 0.871 142 D CB 0.015 40.827 40.800 0.020 0.000 0.943 142 D HN 0.407 nan 8.370 nan 0.000 0.518 143 F N 2.963 122.920 119.950 0.011 0.000 2.418 143 F HA 0.195 4.724 4.527 0.004 0.000 0.341 143 F C -1.789 174.026 175.800 0.026 0.000 1.120 143 F CA -2.255 55.746 58.000 0.000 0.000 1.232 143 F CB 0.627 39.691 39.000 0.107 0.000 1.175 143 F HN -0.243 nan 8.300 nan 0.000 0.569 144 P HA -0.010 nan 4.420 nan 0.000 0.263 144 P C -0.195 177.130 177.300 0.043 0.000 1.195 144 P CA 0.288 63.264 63.100 -0.206 0.000 0.762 144 P CB 0.782 32.254 31.700 -0.380 0.000 0.799 145 E N 2.760 122.997 120.200 0.061 0.000 2.070 145 E HA -0.280 4.072 4.350 0.003 0.000 0.197 145 E C 2.099 178.755 176.600 0.094 0.000 1.004 145 E CA 2.054 58.512 56.400 0.096 0.000 0.805 145 E CB -0.578 29.155 29.700 0.055 0.000 0.744 145 E HN 0.665 nan 8.360 nan 0.000 0.451 146 Q N 0.474 120.309 119.800 0.058 0.000 2.152 146 Q HA -0.212 4.130 4.340 0.003 0.000 0.206 146 Q C 0.600 176.661 176.000 0.102 0.000 0.985 146 Q CA 1.896 57.735 55.803 0.059 0.000 0.863 146 Q CB -0.014 28.745 28.738 0.035 0.000 0.904 146 Q HN 0.170 nan 8.270 nan 0.000 0.422 147 D N -0.533 119.971 120.400 0.173 0.000 2.501 147 D HA 0.102 4.744 4.640 0.003 0.000 0.224 147 D C 1.120 177.685 176.300 0.441 0.000 1.202 147 D CA -0.184 53.996 54.000 0.300 0.000 0.829 147 D CB 0.211 41.250 40.800 0.399 0.000 1.023 147 D HN 0.308 nan 8.370 nan 0.000 0.499 148 R N 1.235 121.953 120.500 0.364 0.000 2.083 148 R HA -0.154 4.188 4.340 0.003 0.000 0.237 148 R C 1.110 177.409 176.300 -0.003 0.000 1.137 148 R CA 1.642 57.923 56.100 0.303 0.000 0.951 148 R CB 0.201 30.637 30.300 0.226 0.000 0.851 148 R HN -0.086 nan 8.270 nan 0.000 0.434 149 D N 0.503 120.881 120.400 -0.038 0.000 2.117 149 D HA -0.170 4.472 4.640 0.003 0.000 0.197 149 D C 1.841 178.051 176.300 -0.151 0.000 0.987 149 D CA 0.900 54.819 54.000 -0.136 0.000 0.829 149 D CB -0.273 40.465 40.800 -0.103 0.000 0.961 149 D HN 0.187 nan 8.370 nan 0.000 0.460 150 L N -0.235 120.919 121.223 -0.116 0.000 2.046 150 L HA -0.097 4.245 4.340 0.003 0.000 0.208 150 L C 1.943 178.492 176.870 -0.536 0.000 1.077 150 L CA 1.487 56.110 54.840 -0.361 0.000 0.747 150 L CB -0.635 41.199 42.059 -0.374 0.000 0.896 150 L HN -0.117 nan 8.230 nan 0.000 0.432 151 F N -0.308 119.508 119.950 -0.224 0.000 2.325 151 F HA -0.115 4.414 4.527 0.003 0.000 0.299 151 F C 2.558 178.396 175.800 0.064 0.000 1.090 151 F CA 1.162 59.186 58.000 0.040 0.000 1.392 151 F CB -0.476 38.621 39.000 0.163 0.000 1.053 151 F HN 0.204 nan 8.300 nan 0.000 0.521 152 Q N -0.398 119.390 119.800 -0.020 0.000 2.167 152 Q HA -0.139 4.203 4.340 0.003 0.000 0.202 152 Q C 2.481 178.445 176.000 -0.060 0.000 0.970 152 Q CA 1.234 56.945 55.803 -0.152 0.000 0.855 152 Q CB -0.345 28.093 28.738 -0.499 0.000 0.911 152 Q HN 0.434 nan 8.270 nan 0.000 0.438 153 A N 0.361 123.100 122.820 -0.135 0.000 1.897 153 A HA -0.137 4.185 4.320 0.003 0.000 0.215 153 A C 1.654 179.240 177.584 0.004 0.000 1.181 153 A CA 0.877 52.844 52.037 -0.117 0.000 0.620 153 A CB -0.556 18.315 19.000 -0.215 0.000 0.821 153 A HN 0.252 nan 8.150 nan 0.000 0.443 154 F N 0.277 120.213 119.950 -0.024 0.000 2.161 154 F HA -0.118 4.411 4.527 0.003 0.000 0.300 154 F C 2.397 178.231 175.800 0.057 0.000 1.089 154 F CA 1.416 59.410 58.000 -0.009 0.000 1.282 154 F CB -0.552 38.413 39.000 -0.059 0.000 1.010 154 F HN 0.161 nan 8.300 nan 0.000 0.485 155 R N -0.140 120.536 120.500 0.293 0.000 2.276 155 R HA 0.032 4.374 4.340 0.003 0.000 0.203 155 R C 1.178 177.568 176.300 0.150 0.000 1.017 155 R CA 0.616 56.856 56.100 0.232 0.000 1.010 155 R CB -0.207 30.264 30.300 0.285 0.000 0.900 155 R HN 0.292 nan 8.270 nan 0.000 0.469 156 S N -0.523 115.244 115.700 0.111 0.000 2.719 156 S HA 0.100 4.572 4.470 0.003 0.000 0.285 156 S C 0.964 175.604 174.600 0.067 0.000 1.137 156 S CA -0.826 57.414 58.200 0.067 0.000 1.012 156 S CB 1.239 64.455 63.200 0.027 0.000 1.134 156 S HN -0.070 nan 8.310 nan 0.000 0.544 157 Q N -0.169 119.658 119.800 0.045 0.000 2.500 157 Q HA 0.068 4.410 4.340 0.003 0.000 0.213 157 Q C 2.019 178.044 176.000 0.042 0.000 0.974 157 Q CA 1.040 56.867 55.803 0.041 0.000 0.918 157 Q CB -0.851 27.904 28.738 0.028 0.000 0.980 157 Q HN 0.825 nan 8.270 nan 0.000 0.505 158 A N 0.203 123.047 122.820 0.041 0.000 2.168 158 A HA 0.055 4.377 4.320 0.003 0.000 0.215 158 A C 2.204 179.834 177.584 0.077 0.000 1.152 158 A CA 1.063 53.123 52.037 0.038 0.000 0.716 158 A CB -0.564 18.442 19.000 0.010 0.000 0.794 158 A HN 0.406 nan 8.150 nan 0.000 0.465 159 G N 0.147 109.014 108.800 0.112 0.000 2.476 159 G HA2 -0.274 3.688 3.960 0.003 0.000 0.218 159 G HA3 -0.274 3.688 3.960 0.003 0.000 0.218 159 G C 1.329 176.294 174.900 0.109 0.000 1.164 159 G CA 1.318 46.519 45.100 0.168 0.000 0.768 159 G HN 0.529 nan 8.290 nan 0.000 0.560 160 E N 0.063 120.302 120.200 0.065 0.000 2.085 160 E HA -0.081 4.271 4.350 0.003 0.000 0.194 160 E C 2.290 178.915 176.600 0.042 0.000 0.994 160 E CA 1.261 57.685 56.400 0.041 0.000 0.801 160 E CB -0.220 29.497 29.700 0.030 0.000 0.743 160 E HN 0.691 nan 8.360 nan 0.000 0.453 161 E N 0.121 120.349 120.200 0.046 0.000 2.072 161 E HA -0.155 4.197 4.350 0.003 0.000 0.191 161 E C 1.986 178.619 176.600 0.055 0.000 0.985 161 E CA 0.678 57.103 56.400 0.040 0.000 0.801 161 E CB -0.060 29.658 29.700 0.031 0.000 0.750 161 E HN 0.210 nan 8.360 nan 0.000 0.452 162 L N 0.133 121.406 121.223 0.084 0.000 2.046 162 L HA -0.182 4.160 4.340 0.003 0.000 0.208 162 L C 2.316 179.263 176.870 0.129 0.000 1.077 162 L CA 0.906 55.821 54.840 0.125 0.000 0.747 162 L CB -0.145 42.041 42.059 0.210 0.000 0.896 162 L HN 0.128 nan 8.230 nan 0.000 0.432 163 V N -1.019 118.951 119.914 0.093 0.000 2.490 163 V HA -0.085 4.037 4.120 0.003 0.000 0.238 163 V C 2.129 178.218 176.094 -0.008 0.000 1.056 163 V CA 0.614 62.927 62.300 0.022 0.000 1.075 163 V CB -0.143 31.647 31.823 -0.054 0.000 0.746 163 V HN 0.223 nan 8.190 nan 0.000 0.479 164 L N -0.007 121.212 121.223 -0.007 0.000 2.083 164 L HA -0.214 4.128 4.340 0.003 0.000 0.209 164 L C 2.549 179.426 176.870 0.012 0.000 1.083 164 L CA 1.930 56.767 54.840 -0.006 0.000 0.752 164 L CB -0.454 41.606 42.059 0.002 0.000 0.899 164 L HN 0.448 nan 8.230 nan 0.000 0.433 165 Q N -0.266 119.547 119.800 0.021 0.000 2.084 165 Q HA -0.122 4.220 4.340 0.003 0.000 0.194 165 Q C 1.371 177.388 176.000 0.029 0.000 0.969 165 Q CA 1.095 56.913 55.803 0.025 0.000 0.829 165 Q CB 0.387 29.140 28.738 0.025 0.000 0.904 165 Q HN 0.402 nan 8.270 nan 0.000 0.464 166 D N 0.203 120.625 120.400 0.036 0.000 2.348 166 D HA -0.029 4.613 4.640 0.003 0.000 0.211 166 D C 0.084 176.411 176.300 0.045 0.000 0.998 166 D CA 0.270 54.294 54.000 0.040 0.000 0.873 166 D CB -0.042 40.783 40.800 0.043 0.000 0.925 166 D HN 0.224 nan 8.370 nan 0.000 0.524 167 N N -0.004 118.720 118.700 0.040 0.000 2.754 167 N HA -0.174 4.568 4.740 0.003 0.000 0.248 167 N C 0.794 176.341 175.510 0.062 0.000 1.093 167 N CA 0.194 53.263 53.050 0.032 0.000 0.699 167 N CB -1.395 37.116 38.487 0.040 0.000 1.016 167 N HN 0.000 nan 8.380 nan 0.000 0.552 168 V N -0.604 119.367 119.914 0.094 0.000 2.594 168 V HA -0.203 3.919 4.120 0.003 0.000 0.253 168 V C 1.943 178.122 176.094 0.141 0.000 1.069 168 V CA 1.925 64.299 62.300 0.124 0.000 1.082 168 V CB -0.582 31.347 31.823 0.176 0.000 0.680 168 V HN 0.452 nan 8.190 nan 0.000 0.469 169 F N -0.021 119.925 119.950 -0.006 0.000 2.146 169 F HA -0.109 4.420 4.527 0.003 0.000 0.298 169 F C 2.190 177.974 175.800 -0.026 0.000 1.096 169 F CA 1.496 59.473 58.000 -0.038 0.000 1.275 169 F CB -0.176 38.681 39.000 -0.238 0.000 1.008 169 F HN -0.058 nan 8.300 nan 0.000 0.480 170 V N -0.249 119.774 119.914 0.181 0.000 2.323 170 V HA -0.184 3.938 4.120 0.003 0.000 0.244 170 V C 2.214 178.346 176.094 0.063 0.000 1.041 170 V CA 1.814 64.174 62.300 0.099 0.000 1.025 170 V CB -0.432 31.445 31.823 0.091 0.000 0.656 170 V HN 0.200 nan 8.190 nan 0.000 0.451 171 E N -0.581 119.659 120.200 0.067 0.000 2.216 171 E HA -0.153 4.199 4.350 0.003 0.000 0.192 171 E C 1.952 178.575 176.600 0.039 0.000 0.988 171 E CA 0.908 57.338 56.400 0.050 0.000 0.834 171 E CB 0.251 29.981 29.700 0.051 0.000 0.772 171 E HN 0.695 nan 8.360 nan 0.000 0.479 172 Q N -0.145 119.681 119.800 0.043 0.000 2.620 172 Q HA 0.027 4.369 4.340 0.003 0.000 0.232 172 Q C 2.142 178.164 176.000 0.036 0.000 0.836 172 Q CA 0.238 56.062 55.803 0.034 0.000 0.938 172 Q CB 0.526 29.282 28.738 0.031 0.000 1.242 172 Q HN -0.001 nan 8.270 nan 0.000 0.624 173 V N 2.171 122.095 119.914 0.017 0.000 2.295 173 V HA -0.254 3.868 4.120 0.003 0.000 0.246 173 V C 2.404 178.586 176.094 0.148 0.000 1.049 173 V CA 1.754 64.077 62.300 0.038 0.000 1.024 173 V CB -0.708 30.951 31.823 -0.272 0.000 0.648 173 V HN 0.390 nan 8.190 nan 0.000 0.447 174 L N 1.242 122.485 121.223 0.034 0.000 1.955 174 L HA -0.076 4.266 4.340 0.003 0.000 0.213 174 L C -0.096 176.670 176.870 -0.174 0.000 1.072 174 L CA 2.604 57.264 54.840 -0.300 0.000 0.755 174 L CB -1.887 39.926 42.059 -0.411 0.000 0.888 174 L HN 0.249 nan 8.230 nan 0.000 0.432 175 P HA -0.067 nan 4.420 nan 0.000 0.217 175 P C 1.540 178.869 177.300 0.049 0.000 1.150 175 P CA 1.726 64.817 63.100 -0.015 0.000 0.832 175 P CB -0.406 31.296 31.700 0.004 0.000 0.787 176 G N -0.645 108.198 108.800 0.072 0.000 2.470 176 G HA2 -0.154 3.808 3.960 0.003 0.000 0.220 176 G HA3 -0.154 3.808 3.960 0.003 0.000 0.220 176 G C 1.059 176.044 174.900 0.141 0.000 1.121 176 G CA 0.389 45.546 45.100 0.095 0.000 0.766 176 G HN 0.269 nan 8.290 nan 0.000 0.553 177 L N 0.348 121.712 121.223 0.235 0.000 2.910 177 L HA 0.476 4.818 4.340 0.003 0.000 0.252 177 L C -0.196 176.870 176.870 0.328 0.000 1.195 177 L CA -0.172 54.859 54.840 0.317 0.000 1.003 177 L CB 0.403 42.748 42.059 0.476 0.000 1.328 177 L HN 0.057 nan 8.230 nan 0.000 0.540 178 I N -0.146 120.547 120.570 0.205 0.000 2.406 178 I HA 0.143 4.315 4.170 0.003 0.000 0.290 178 I C 0.929 177.096 176.117 0.084 0.000 0.999 178 I CA -0.498 60.886 61.300 0.139 0.000 1.124 178 I CB 2.444 40.493 38.000 0.083 0.000 1.289 178 I HN 0.076 nan 8.210 nan 0.000 0.441 179 L N 4.779 126.038 121.223 0.061 0.000 2.109 179 L HA -0.016 4.326 4.340 0.003 0.000 0.207 179 L C 1.345 178.235 176.870 0.034 0.000 1.086 179 L CA 0.990 55.855 54.840 0.040 0.000 0.760 179 L CB -0.504 41.570 42.059 0.025 0.000 0.910 179 L HN 0.638 nan 8.230 nan 0.000 0.437 180 R N 0.848 121.368 120.500 0.033 0.000 2.500 180 R HA 0.441 4.783 4.340 0.003 0.000 0.277 180 R C -2.637 173.685 176.300 0.036 0.000 1.026 180 R CA -1.720 54.398 56.100 0.030 0.000 1.058 180 R CB -0.248 30.067 30.300 0.026 0.000 1.078 180 R HN -0.199 nan 8.270 nan 0.000 0.509 181 P HA 0.142 nan 4.420 nan 0.000 0.280 181 P C -0.800 176.527 177.300 0.044 0.000 1.244 181 P CA -0.297 62.825 63.100 0.036 0.000 0.784 181 P CB 0.727 32.445 31.700 0.030 0.000 0.913 182 L N 1.625 122.881 121.223 0.054 0.000 2.399 182 L HA 0.348 4.690 4.340 0.003 0.000 0.266 182 L C 1.186 178.095 176.870 0.065 0.000 1.114 182 L CA -0.500 54.385 54.840 0.074 0.000 0.804 182 L CB 0.943 43.065 42.059 0.106 0.000 1.146 182 L HN 0.465 nan 8.230 nan 0.000 0.451 183 S N 0.165 115.906 115.700 0.068 0.000 2.634 183 S HA 0.066 4.538 4.470 0.003 0.000 0.261 183 S C 0.831 175.463 174.600 0.054 0.000 1.271 183 S CA -0.485 57.747 58.200 0.053 0.000 0.985 183 S CB 1.397 64.626 63.200 0.049 0.000 0.968 183 S HN 0.716 nan 8.310 nan 0.000 0.568 184 E N 0.859 121.082 120.200 0.038 0.000 2.072 184 E HA -0.123 4.229 4.350 0.003 0.000 0.191 184 E C 2.154 178.765 176.600 0.018 0.000 0.985 184 E CA 1.444 57.861 56.400 0.028 0.000 0.801 184 E CB -0.768 28.943 29.700 0.019 0.000 0.750 184 E HN 0.791 nan 8.360 nan 0.000 0.452 185 A N 1.258 124.089 122.820 0.019 0.000 1.902 185 A HA -0.206 4.115 4.320 0.003 0.000 0.217 185 A C 2.047 179.627 177.584 -0.007 0.000 1.181 185 A CA 1.727 53.765 52.037 0.003 0.000 0.623 185 A CB -0.466 18.549 19.000 0.024 0.000 0.818 185 A HN 0.327 nan 8.150 nan 0.000 0.443 186 E N -1.488 118.750 120.200 0.064 0.000 2.047 186 E HA -0.180 4.172 4.350 0.003 0.000 0.191 186 E C 1.973 178.615 176.600 0.070 0.000 0.987 186 E CA 1.393 57.868 56.400 0.125 0.000 0.799 186 E CB -0.237 29.583 29.700 0.201 0.000 0.752 186 E HN 0.537 nan 8.360 nan 0.000 0.449 187 M N 0.897 120.560 119.600 0.105 0.000 2.213 187 M HA -0.056 4.426 4.480 0.003 0.000 0.263 187 M C 2.018 178.343 176.300 0.043 0.000 1.062 187 M CA 1.313 56.691 55.300 0.130 0.000 1.105 187 M CB -0.218 32.438 32.600 0.092 0.000 1.385 187 M HN 0.090 nan 8.290 nan 0.000 0.417 188 A N -0.635 122.167 122.820 -0.030 0.000 1.930 188 A HA 0.087 4.409 4.320 0.003 0.000 0.217 188 A C 2.301 179.775 177.584 -0.184 0.000 1.175 188 A CA 1.727 53.720 52.037 -0.075 0.000 0.627 188 A CB -1.212 17.745 19.000 -0.071 0.000 0.815 188 A HN 0.570 nan 8.150 nan 0.000 0.443 189 A N -1.802 120.794 122.820 -0.374 0.000 2.015 189 A HA 0.016 4.338 4.320 0.003 0.000 0.219 189 A C 1.983 179.211 177.584 -0.592 0.000 1.163 189 A CA 1.326 52.939 52.037 -0.708 0.000 0.646 189 A CB -0.597 17.419 19.000 -1.640 0.000 0.806 189 A HN 0.551 nan 8.150 nan 0.000 0.448 190 Y N -0.421 119.727 120.300 -0.252 0.000 2.365 190 Y HA 0.049 4.600 4.550 0.003 0.000 0.293 190 Y C 2.502 178.392 175.900 -0.017 0.000 1.119 190 Y CA 0.960 59.002 58.100 -0.097 0.000 1.203 190 Y CB -0.152 38.298 38.460 -0.016 0.000 1.026 190 Y HN 0.225 nan 8.280 nan 0.000 0.549 191 R N -0.199 120.372 120.500 0.118 0.000 2.153 191 R HA -0.108 4.234 4.340 0.003 0.000 0.218 191 R C 2.094 178.406 176.300 0.020 0.000 1.072 191 R CA 0.736 56.905 56.100 0.115 0.000 0.990 191 R CB -0.145 30.200 30.300 0.074 0.000 0.889 191 R HN 0.217 nan 8.270 nan 0.000 0.452 192 E N 1.175 121.324 120.200 -0.086 0.000 2.086 192 E HA -0.185 4.167 4.350 0.003 0.000 0.200 192 E C -0.838 175.649 176.600 -0.187 0.000 1.012 192 E CA 1.667 57.988 56.400 -0.131 0.000 0.812 192 E CB -0.722 28.875 29.700 -0.171 0.000 0.743 192 E HN 0.241 nan 8.360 nan 0.000 0.453 193 P HA -0.019 nan 4.420 nan 0.000 0.236 193 P C 0.133 177.101 177.300 -0.554 0.000 1.177 193 P CA 0.787 63.543 63.100 -0.574 0.000 0.773 193 P CB -0.052 31.070 31.700 -0.964 0.000 0.878 194 F N -2.121 117.827 119.950 -0.003 0.000 2.805 194 F HA 0.298 4.827 4.527 0.003 0.000 0.317 194 F C 1.477 177.277 175.800 0.000 0.000 1.146 194 F CA -0.445 57.552 58.000 -0.005 0.000 1.265 194 F CB -0.926 38.074 39.000 -0.000 0.000 0.992 194 F HN -0.243 nan 8.300 nan 0.000 0.511 195 L N 0.410 121.697 121.223 0.106 0.000 2.083 195 L HA -0.032 4.310 4.340 0.003 0.000 0.209 195 L C 1.617 178.526 176.870 0.066 0.000 1.083 195 L CA 0.786 55.667 54.840 0.068 0.000 0.752 195 L CB -0.459 41.613 42.059 0.022 0.000 0.899 195 L HN 0.192 nan 8.230 nan 0.000 0.433 196 A N 0.351 123.211 122.820 0.066 0.000 2.366 196 A HA 0.584 4.906 4.320 0.003 0.000 0.272 196 A C 0.382 178.005 177.584 0.064 0.000 1.135 196 A CA -0.227 51.842 52.037 0.054 0.000 0.804 196 A CB 0.248 19.274 19.000 0.042 0.000 1.064 196 A HN 0.224 nan 8.150 nan 0.000 0.499 197 A N 2.180 125.028 122.820 0.047 0.000 2.448 197 A HA 0.618 4.940 4.320 0.003 0.000 0.239 197 A C 1.316 178.923 177.584 0.038 0.000 1.080 197 A CA 0.902 52.963 52.037 0.040 0.000 0.779 197 A CB -0.437 18.582 19.000 0.031 0.000 1.026 197 A HN 2.909 nan 8.150 nan 0.000 0.499 198 G N 0.120 108.939 108.800 0.031 0.000 2.484 198 G HA2 -0.163 3.799 3.960 0.003 0.000 0.225 198 G HA3 -0.163 3.799 3.960 0.003 0.000 0.225 198 G C 0.477 175.396 174.900 0.031 0.000 1.250 198 G CA 0.263 45.380 45.100 0.028 0.000 0.926 198 G HN 0.699 nan 8.290 nan 0.000 0.581 199 E N 0.430 120.654 120.200 0.040 0.000 2.267 199 E HA -0.055 4.297 4.350 0.003 0.000 0.197 199 E C 2.819 179.465 176.600 0.076 0.000 0.998 199 E CA 1.684 58.118 56.400 0.058 0.000 0.830 199 E CB -0.641 29.101 29.700 0.070 0.000 0.751 199 E HN 1.009 nan 8.360 nan 0.000 0.491 200 A N 0.974 123.844 122.820 0.083 0.000 2.076 200 A HA -0.165 4.157 4.320 0.003 0.000 0.220 200 A C 1.959 179.654 177.584 0.184 0.000 1.160 200 A CA 1.096 53.208 52.037 0.124 0.000 0.653 200 A CB -0.278 18.792 19.000 0.118 0.000 0.801 200 A HN 0.113 nan 8.150 nan 0.000 0.455 201 R N -1.646 118.896 120.500 0.069 0.000 2.334 201 R HA 0.122 4.464 4.340 0.003 0.000 0.216 201 R C 1.889 178.041 176.300 -0.247 0.000 0.905 201 R CA 0.255 56.287 56.100 -0.115 0.000 1.064 201 R CB -0.007 30.223 30.300 -0.117 0.000 1.046 201 R HN 0.375 nan 8.270 nan 0.000 0.508 202 R N 2.071 122.472 120.500 -0.164 0.000 2.103 202 R HA -0.087 4.255 4.340 0.003 0.000 0.242 202 R C -1.003 175.080 176.300 -0.361 0.000 1.142 202 R CA 1.660 57.653 56.100 -0.177 0.000 0.960 202 R CB -1.187 29.118 30.300 0.008 0.000 0.858 202 R HN 0.091 nan 8.270 nan 0.000 0.439 203 P HA -0.138 nan 4.420 nan 0.000 0.216 203 P C 0.876 177.926 177.300 -0.416 0.000 1.150 203 P CA 2.286 64.992 63.100 -0.657 0.000 0.843 203 P CB -0.283 31.081 31.700 -0.559 0.000 0.787 204 T N -3.858 110.417 114.554 -0.465 0.000 3.072 204 T HA -0.046 4.306 4.350 0.003 0.000 0.266 204 T C 1.500 175.943 174.700 -0.429 0.000 1.127 204 T CA 0.522 62.326 62.100 -0.494 0.000 1.107 204 T CB -0.671 67.798 68.868 -0.665 0.000 0.910 204 T HN -0.037 nan 8.240 nan 0.000 0.513 205 L N 0.498 121.537 121.223 -0.308 0.000 2.388 205 L HA 0.454 4.796 4.340 0.003 0.000 0.209 205 L C 2.434 179.221 176.870 -0.139 0.000 1.061 205 L CA 0.935 55.645 54.840 -0.217 0.000 0.834 205 L CB -0.520 41.455 42.059 -0.139 0.000 1.029 205 L HN 0.121 nan 8.230 nan 0.000 0.473 206 S N -0.736 114.854 115.700 -0.183 0.000 2.399 206 S HA -0.184 4.288 4.470 0.003 0.000 0.231 206 S C 1.594 176.097 174.600 -0.162 0.000 1.022 206 S CA 1.689 59.782 58.200 -0.178 0.000 0.983 206 S CB -0.535 62.517 63.200 -0.247 0.000 0.803 206 S HN 0.595 nan 8.310 nan 0.000 0.480 207 W N 2.227 123.378 121.300 -0.248 0.000 2.354 207 W HA -0.092 4.570 4.660 0.004 0.000 0.315 207 W C -0.626 175.903 176.519 0.017 0.000 1.206 207 W CA 0.551 57.679 57.345 -0.362 0.000 1.290 207 W CB -1.250 27.953 29.460 -0.429 0.000 1.152 207 W HN 0.243 nan 8.180 nan 0.000 0.489 208 P HA -0.135 nan 4.420 nan 0.000 0.222 208 P C 0.736 178.315 177.300 0.465 0.000 1.147 208 P CA 1.534 64.981 63.100 0.578 0.000 0.790 208 P CB -0.203 31.796 31.700 0.500 0.000 0.780 209 R N -0.586 120.089 120.500 0.291 0.000 2.307 209 R HA 0.044 4.386 4.340 0.003 0.000 0.199 209 R C 2.105 178.540 176.300 0.224 0.000 1.000 209 R CA 0.546 56.784 56.100 0.229 0.000 1.023 209 R CB -0.093 30.287 30.300 0.133 0.000 0.908 209 R HN 0.233 nan 8.270 nan 0.000 0.473 210 Q N 0.273 120.239 119.800 0.276 0.000 2.402 210 Q HA 0.131 4.473 4.340 0.003 0.000 0.206 210 Q C 0.562 176.891 176.000 0.548 0.000 0.919 210 Q CA 0.270 56.244 55.803 0.285 0.000 0.923 210 Q CB 0.406 29.164 28.738 0.033 0.000 1.048 210 Q HN 0.323 nan 8.270 nan 0.000 0.515 211 I N 4.873 125.849 120.570 0.676 0.000 2.741 211 I HA -0.055 4.117 4.170 0.003 0.000 0.288 211 I C -1.863 174.374 176.117 0.201 0.000 1.192 211 I CA -1.030 60.561 61.300 0.486 0.000 1.426 211 I CB 0.184 38.386 38.000 0.335 0.000 1.367 211 I HN -0.131 nan 8.210 nan 0.000 0.563 212 P HA 0.300 nan 4.420 nan 0.000 0.273 212 P C -0.688 176.554 177.300 -0.098 0.000 1.428 212 P CA 0.276 63.382 63.100 0.010 0.000 0.995 212 P CB 0.081 31.780 31.700 -0.002 0.000 1.286 213 I N 1.745 122.214 120.570 -0.167 0.000 2.498 213 I HA 0.436 4.608 4.170 0.003 0.000 0.290 213 I C 0.676 176.644 176.117 -0.248 0.000 1.032 213 I CA -1.217 59.868 61.300 -0.358 0.000 1.073 213 I CB 2.050 39.550 38.000 -0.832 0.000 1.251 213 I HN 0.241 nan 8.210 nan 0.000 0.426 214 A N 4.433 127.131 122.820 -0.202 0.000 2.771 214 A HA -0.118 4.204 4.320 0.003 0.000 0.294 214 A C 1.412 178.985 177.584 -0.019 0.000 1.500 214 A CA 1.163 53.165 52.037 -0.058 0.000 0.829 214 A CB -1.932 17.098 19.000 0.051 0.000 0.998 214 A HN 2.040 nan 8.150 nan 0.000 0.526 215 G N -3.668 105.107 108.800 -0.041 0.000 2.159 215 G HA2 0.022 3.984 3.960 0.003 0.000 0.256 215 G HA3 0.022 3.984 3.960 0.003 0.000 0.256 215 G C 0.284 175.184 174.900 -0.000 0.000 0.977 215 G CA 0.915 46.003 45.100 -0.019 0.000 0.652 215 G HN 2.032 nan 8.290 nan 0.000 0.531 216 T N 2.092 116.650 114.554 0.006 0.000 2.893 216 T HA 0.622 4.974 4.350 0.003 0.000 0.293 216 T C -2.886 171.843 174.700 0.049 0.000 1.027 216 T CA -0.984 61.138 62.100 0.037 0.000 0.988 216 T CB 3.399 72.307 68.868 0.067 0.000 1.043 216 T HN 0.098 nan 8.240 nan 0.000 0.461 217 P HA 0.282 nan 4.420 nan 0.000 0.281 217 P C 0.592 177.916 177.300 0.040 0.000 1.252 217 P CA -0.305 62.833 63.100 0.063 0.000 0.778 217 P CB 1.013 32.761 31.700 0.080 0.000 0.895 218 A N 4.554 127.391 122.820 0.028 0.000 1.986 218 A HA -0.245 4.077 4.320 0.003 0.000 0.220 218 A C 1.791 179.378 177.584 0.006 0.000 1.171 218 A CA 2.215 54.259 52.037 0.012 0.000 0.640 218 A CB -1.093 17.914 19.000 0.012 0.000 0.811 218 A HN 0.632 nan 8.150 nan 0.000 0.451 219 D N -0.037 120.374 120.400 0.019 0.000 2.097 219 D HA -0.108 4.534 4.640 0.003 0.000 0.197 219 D C 1.721 178.019 176.300 -0.003 0.000 0.984 219 D CA 1.685 55.695 54.000 0.017 0.000 0.826 219 D CB -1.084 39.739 40.800 0.038 0.000 0.973 219 D HN 0.258 nan 8.370 nan 0.000 0.460 220 V N 0.763 120.680 119.914 0.005 0.000 2.626 220 V HA -0.155 3.967 4.120 0.003 0.000 0.252 220 V C 2.871 178.929 176.094 -0.060 0.000 1.067 220 V CA 0.897 63.175 62.300 -0.038 0.000 1.081 220 V CB -0.247 31.614 31.823 0.064 0.000 0.686 220 V HN 0.097 nan 8.190 nan 0.000 0.468 221 V N 0.562 120.454 119.914 -0.036 0.000 2.343 221 V HA -0.255 3.867 4.120 0.003 0.000 0.247 221 V C 2.716 178.750 176.094 -0.101 0.000 1.051 221 V CA 2.081 64.342 62.300 -0.066 0.000 1.036 221 V CB -1.003 30.794 31.823 -0.043 0.000 0.654 221 V HN 0.566 nan 8.190 nan 0.000 0.451 222 A N -0.346 122.429 122.820 -0.075 0.000 1.930 222 A HA -0.138 4.184 4.320 0.003 0.000 0.217 222 A C 2.168 179.686 177.584 -0.111 0.000 1.175 222 A CA 1.686 53.677 52.037 -0.076 0.000 0.627 222 A CB -0.489 18.487 19.000 -0.040 0.000 0.815 222 A HN 0.511 nan 8.150 nan 0.000 0.443 223 I N -0.389 120.105 120.570 -0.127 0.000 2.252 223 I HA -0.254 3.918 4.170 0.003 0.000 0.245 223 I C 2.951 178.820 176.117 -0.413 0.000 1.102 223 I CA 1.027 62.239 61.300 -0.147 0.000 1.385 223 I CB -0.256 37.675 38.000 -0.115 0.000 1.064 223 I HN 0.356 nan 8.210 nan 0.000 0.414 224 A N 0.681 123.160 122.820 -0.568 0.000 1.898 224 A HA -0.230 4.092 4.320 0.003 0.000 0.216 224 A C 2.423 179.623 177.584 -0.639 0.000 1.181 224 A CA 1.611 53.014 52.037 -1.058 0.000 0.620 224 A CB -0.635 18.073 19.000 -0.488 0.000 0.819 224 A HN 0.343 nan 8.150 nan 0.000 0.442 225 R N -0.323 119.989 120.500 -0.314 0.000 2.091 225 R HA -0.202 4.140 4.340 0.003 0.000 0.238 225 R C 1.385 177.614 176.300 -0.118 0.000 1.136 225 R CA 2.038 58.033 56.100 -0.175 0.000 0.959 225 R CB -0.367 29.860 30.300 -0.122 0.000 0.856 225 R HN 0.448 nan 8.270 nan 0.000 0.437 226 D N -0.309 120.016 120.400 -0.124 0.000 2.084 226 D HA -0.175 4.467 4.640 0.003 0.000 0.196 226 D C 1.777 178.138 176.300 0.101 0.000 0.985 226 D CA 1.579 55.569 54.000 -0.017 0.000 0.826 226 D CB -0.510 40.282 40.800 -0.013 0.000 0.978 226 D HN 0.489 nan 8.370 nan 0.000 0.456 227 Y N 0.073 120.445 120.300 0.121 0.000 2.439 227 Y HA 0.339 4.892 4.550 0.004 0.000 0.292 227 Y C 2.038 177.992 175.900 0.090 0.000 1.130 227 Y CA 0.289 58.501 58.100 0.187 0.000 1.254 227 Y CB -0.989 37.619 38.460 0.246 0.000 1.000 227 Y HN -0.081 nan 8.280 nan 0.000 0.554 228 A N 1.546 124.510 122.820 0.239 0.000 1.873 228 A HA 0.042 4.364 4.320 0.003 0.000 0.215 228 A C 2.536 180.234 177.584 0.190 0.000 1.186 228 A CA 1.578 53.782 52.037 0.278 0.000 0.616 228 A CB -1.517 17.625 19.000 0.236 0.000 0.823 228 A HN 0.556 nan 8.150 nan 0.000 0.442 229 G N -1.608 107.268 108.800 0.127 0.000 2.422 229 G HA2 -0.256 3.706 3.960 0.003 0.000 0.218 229 G HA3 -0.256 3.706 3.960 0.003 0.000 0.218 229 G C 1.381 176.297 174.900 0.028 0.000 1.146 229 G CA 1.110 46.264 45.100 0.091 0.000 0.769 229 G HN 0.682 nan 8.290 nan 0.000 0.547 230 W N 1.220 122.456 121.300 -0.107 0.000 2.378 230 W HA 0.056 4.718 4.660 0.003 0.000 0.313 230 W C 2.289 178.626 176.519 -0.302 0.000 1.197 230 W CA 1.156 58.409 57.345 -0.153 0.000 1.304 230 W CB -0.596 28.804 29.460 -0.099 0.000 1.148 230 W HN 0.111 nan 8.180 nan 0.000 0.494 231 L N 1.177 121.931 121.223 -0.783 0.000 2.042 231 L HA -0.272 4.070 4.340 0.003 0.000 0.210 231 L C 2.812 178.835 176.870 -1.410 0.000 1.076 231 L CA 1.977 55.947 54.840 -1.450 0.000 0.749 231 L CB -1.237 39.718 42.059 -1.839 0.000 0.893 231 L HN 0.190 nan 8.230 nan 0.000 0.432 232 S N -1.299 113.754 115.700 -1.078 0.000 2.537 232 S HA -0.159 4.313 4.470 0.003 0.000 0.240 232 S C 1.400 175.762 174.600 -0.396 0.000 0.981 232 S CA 1.191 58.963 58.200 -0.713 0.000 0.948 232 S CB -0.145 62.958 63.200 -0.162 0.000 0.759 232 S HN 0.556 nan 8.310 nan 0.000 0.531 233 E N 0.262 120.192 120.200 -0.450 0.000 2.606 233 E HA 0.215 4.567 4.350 0.003 0.000 0.224 233 E C -0.097 176.282 176.600 -0.368 0.000 0.930 233 E CA -0.183 56.035 56.400 -0.302 0.000 1.125 233 E CB 1.050 30.643 29.700 -0.179 0.000 1.123 233 E HN 0.418 nan 8.360 nan 0.000 0.522 234 S N 2.011 117.333 115.700 -0.630 0.000 2.565 234 S HA 0.134 4.606 4.470 0.003 0.000 0.276 234 S C -1.687 172.698 174.600 -0.358 0.000 1.326 234 S CA -1.276 56.556 58.200 -0.613 0.000 1.045 234 S CB 0.826 63.309 63.200 -1.196 0.000 0.918 234 S HN -0.036 nan 8.310 nan 0.000 0.505 235 P HA 0.206 nan 4.420 nan 0.000 0.255 235 P C 0.191 177.450 177.300 -0.067 0.000 1.248 235 P CA -0.022 63.014 63.100 -0.107 0.000 0.807 235 P CB -0.058 31.608 31.700 -0.058 0.000 1.150 236 I N 2.222 122.740 120.570 -0.087 0.000 2.775 236 I HA 0.008 4.180 4.170 0.003 0.000 0.290 236 I C -1.917 174.222 176.117 0.037 0.000 1.203 236 I CA -1.763 59.533 61.300 -0.005 0.000 1.433 236 I CB -0.175 37.840 38.000 0.025 0.000 1.354 236 I HN -0.174 nan 8.210 nan 0.000 0.579 237 P HA 0.086 nan 4.420 nan 0.000 0.265 237 P C -1.265 176.239 177.300 0.340 0.000 1.193 237 P CA 0.154 63.378 63.100 0.208 0.000 0.765 237 P CB 0.432 32.243 31.700 0.186 0.000 0.823 238 K N 2.222 122.794 120.400 0.287 0.000 2.375 238 K HA 0.666 4.987 4.320 0.003 0.000 0.249 238 K C -1.277 175.292 176.600 -0.051 0.000 0.942 238 K CA -1.023 55.399 56.287 0.224 0.000 0.806 238 K CB 1.945 34.606 32.500 0.269 0.000 1.227 238 K HN 0.193 nan 8.250 nan 0.000 0.430 239 L N 3.005 124.043 121.223 -0.309 0.000 2.372 239 L HA 0.432 4.773 4.340 0.003 0.000 0.273 239 L C -1.633 175.049 176.870 -0.313 0.000 0.989 239 L CA -0.559 53.960 54.840 -0.535 0.000 0.841 239 L CB 0.909 42.278 42.059 -1.150 0.000 1.225 239 L HN 0.566 nan 8.230 nan 0.000 0.414 240 F N 6.924 126.584 119.950 -0.483 0.000 2.350 240 F HA 0.529 5.058 4.527 0.004 0.000 0.365 240 F C -0.457 175.038 175.800 -0.508 0.000 1.122 240 F CA -1.511 56.019 58.000 -0.783 0.000 1.139 240 F CB 0.451 39.119 39.000 -0.554 0.000 1.220 240 F HN 0.352 nan 8.300 nan 0.000 0.499 241 I N 6.206 126.481 120.570 -0.492 0.000 2.282 241 I HA 0.103 4.275 4.170 0.003 0.000 0.290 241 I C 0.076 175.797 176.117 -0.660 0.000 1.090 241 I CA -0.474 60.535 61.300 -0.484 0.000 1.231 241 I CB 0.161 38.006 38.000 -0.258 0.000 1.434 241 I HN 0.525 nan 8.210 nan 0.000 0.487 242 N N 5.020 123.094 118.700 -1.042 0.000 2.483 242 N HA 0.616 5.358 4.740 0.003 0.000 0.269 242 N C -0.765 174.493 175.510 -0.419 0.000 1.209 242 N CA -0.187 52.286 53.050 -0.960 0.000 0.969 242 N CB 1.254 39.073 38.487 -1.114 0.000 1.173 242 N HN 0.662 nan 8.380 nan 0.000 0.475 243 A N 1.094 123.767 122.820 -0.246 0.000 2.454 243 A HA 0.640 4.962 4.320 0.003 0.000 0.302 243 A C -1.252 176.267 177.584 -0.109 0.000 1.079 243 A CA -0.504 51.439 52.037 -0.156 0.000 0.731 243 A CB 1.428 20.361 19.000 -0.112 0.000 1.299 243 A HN 0.660 nan 8.150 nan 0.000 0.413 244 E N 1.173 121.320 120.200 -0.089 0.000 2.263 244 E HA 0.512 4.864 4.350 0.003 0.000 0.268 244 E C -2.119 174.453 176.600 -0.046 0.000 0.884 244 E CA -1.814 54.548 56.400 -0.064 0.000 0.766 244 E CB 2.064 31.724 29.700 -0.067 0.000 1.196 244 E HN 0.289 nan 8.360 nan 0.000 0.416 245 P HA 0.028 nan 4.420 nan 0.000 0.226 245 P C 0.522 177.801 177.300 -0.036 0.000 1.153 245 P CA 1.176 64.257 63.100 -0.031 0.000 0.777 245 P CB 0.188 31.875 31.700 -0.022 0.000 0.794 246 G N -0.236 108.542 108.800 -0.037 0.000 2.750 246 G HA2 -0.004 3.958 3.960 0.003 0.000 0.228 246 G HA3 -0.004 3.958 3.960 0.003 0.000 0.228 246 G C 0.346 175.224 174.900 -0.037 0.000 1.367 246 G CA 0.030 45.110 45.100 -0.034 0.000 0.871 246 G HN 0.554 nan 8.290 nan 0.000 0.560 247 A N -2.802 119.990 122.820 -0.048 0.000 1.713 247 A HA 0.650 4.972 4.320 0.003 0.000 0.164 247 A C 1.894 179.361 177.584 -0.195 0.000 1.618 247 A CA 1.456 53.422 52.037 -0.119 0.000 1.267 247 A CB -0.487 18.447 19.000 -0.110 0.000 1.054 247 A HN 1.805 nan 8.150 nan 0.000 0.713 248 L N 0.937 122.059 121.223 -0.170 0.000 2.127 248 L HA 0.210 4.552 4.340 0.003 0.000 0.203 248 L C 0.723 177.537 176.870 -0.093 0.000 1.080 248 L CA 2.168 56.880 54.840 -0.214 0.000 0.768 248 L CB -0.207 41.735 42.059 -0.195 0.000 0.924 248 L HN 0.315 nan 8.230 nan 0.000 0.444 249 T N 1.204 115.752 114.554 -0.009 0.000 3.766 249 T HA 0.365 4.717 4.350 0.003 0.000 0.327 249 T C 0.092 174.823 174.700 0.052 0.000 1.595 249 T CA 0.299 62.426 62.100 0.045 0.000 1.204 249 T CB -0.777 68.180 68.868 0.148 0.000 1.245 249 T HN 0.535 nan 8.240 nan 0.000 0.875 250 T N -1.786 112.769 114.554 0.002 0.000 2.696 250 T HA 0.796 5.148 4.350 0.003 0.000 0.291 250 T C 0.815 175.511 174.700 -0.008 0.000 1.095 250 T CA -0.171 61.928 62.100 -0.000 0.000 1.026 250 T CB 1.422 70.274 68.868 -0.027 0.000 1.390 250 T HN 0.523 nan 8.240 nan 0.000 0.513 251 G N 1.074 109.871 108.800 -0.005 0.000 2.627 251 G HA2 -0.343 3.619 3.960 0.003 0.000 0.312 251 G HA3 -0.343 3.619 3.960 0.003 0.000 0.312 251 G C 0.936 175.838 174.900 0.004 0.000 1.299 251 G CA 0.923 46.022 45.100 -0.001 0.000 0.989 251 G HN 0.955 nan 8.290 nan 0.000 0.547 252 R N -0.618 119.885 120.500 0.005 0.000 2.103 252 R HA -0.082 4.260 4.340 0.003 0.000 0.242 252 R C 2.849 179.167 176.300 0.030 0.000 1.142 252 R CA 2.000 58.107 56.100 0.012 0.000 0.960 252 R CB -0.409 29.889 30.300 -0.003 0.000 0.858 252 R HN 0.619 nan 8.270 nan 0.000 0.439 253 M N 0.082 119.694 119.600 0.019 0.000 2.159 253 M HA -0.208 4.274 4.480 0.003 0.000 0.263 253 M C 2.308 178.600 176.300 -0.012 0.000 1.063 253 M CA 1.579 56.905 55.300 0.043 0.000 1.110 253 M CB -0.087 32.525 32.600 0.019 0.000 1.374 253 M HN -0.021 nan 8.290 nan 0.000 0.411 254 R N 0.121 120.604 120.500 -0.029 0.000 2.090 254 R HA -0.150 4.192 4.340 0.003 0.000 0.228 254 R C 1.507 177.750 176.300 -0.096 0.000 1.110 254 R CA 1.990 58.052 56.100 -0.064 0.000 0.973 254 R CB -0.191 30.134 30.300 0.042 0.000 0.869 254 R HN 0.368 nan 8.270 nan 0.000 0.440 255 D N 0.065 120.450 120.400 -0.026 0.000 2.123 255 D HA -0.209 4.433 4.640 0.003 0.000 0.196 255 D C 1.539 177.826 176.300 -0.022 0.000 0.992 255 D CA 1.177 55.169 54.000 -0.012 0.000 0.833 255 D CB -0.324 40.491 40.800 0.026 0.000 0.954 255 D HN 0.200 nan 8.370 nan 0.000 0.455 256 F N 1.489 121.342 119.950 -0.162 0.000 2.075 256 F HA -0.198 4.332 4.527 0.004 0.000 0.297 256 F C 2.309 177.839 175.800 -0.449 0.000 1.113 256 F CA 0.871 58.769 58.000 -0.170 0.000 1.218 256 F CB -0.658 38.291 39.000 -0.085 0.000 0.984 256 F HN -0.018 nan 8.300 nan 0.000 0.472 257 C N 0.923 119.638 119.300 -0.974 0.000 2.413 257 C HA -0.178 4.284 4.460 0.003 0.000 0.277 257 C C 2.753 177.035 174.990 -1.181 0.000 1.265 257 C CA 1.131 59.055 59.018 -1.823 0.000 1.752 257 C CB -1.462 25.345 27.740 -1.554 0.000 1.998 257 C HN 0.420 nan 8.230 nan 0.000 0.489 258 R N 0.493 120.630 120.500 -0.605 0.000 2.285 258 R HA -0.099 4.243 4.340 0.003 0.000 0.213 258 R C 2.024 178.199 176.300 -0.208 0.000 1.068 258 R CA 1.665 57.593 56.100 -0.287 0.000 1.004 258 R CB -0.332 29.899 30.300 -0.114 0.000 0.873 258 R HN 0.791 nan 8.270 nan 0.000 0.467 259 T N -3.027 111.368 114.554 -0.264 0.000 3.100 259 T HA 0.009 4.361 4.350 0.003 0.000 0.253 259 T C 0.291 174.998 174.700 0.012 0.000 1.118 259 T CA -0.415 61.630 62.100 -0.090 0.000 1.058 259 T CB 0.037 68.895 68.868 -0.016 0.000 0.953 259 T HN 0.028 nan 8.240 nan 0.000 0.515 260 W N 3.355 124.463 121.300 -0.321 0.000 2.181 260 W HA 0.430 5.091 4.660 0.002 0.000 0.335 260 W C -2.507 173.896 176.519 -0.193 0.000 1.310 260 W CA -2.894 54.263 57.345 -0.314 0.000 1.226 260 W CB -0.475 28.754 29.460 -0.385 0.000 1.155 260 W HN 0.105 nan 8.180 nan 0.000 0.565 261 P HA 0.051 nan 4.420 nan 0.000 0.276 261 P C 0.121 177.425 177.300 0.007 0.000 1.244 261 P CA -0.290 62.803 63.100 -0.012 0.000 0.801 261 P CB 0.542 32.198 31.700 -0.073 0.000 1.006 262 N N -0.308 118.402 118.700 0.016 0.000 2.725 262 N HA -0.229 4.513 4.740 0.003 0.000 0.251 262 N C -0.699 174.857 175.510 0.078 0.000 1.031 262 N CA 0.865 53.938 53.050 0.038 0.000 0.720 262 N CB -1.100 37.400 38.487 0.023 0.000 0.930 262 N HN 0.649 nan 8.380 nan 0.000 0.543 263 Q N -0.230 119.617 119.800 0.078 0.000 2.365 263 Q HA 0.553 4.895 4.340 0.003 0.000 0.269 263 Q C -0.997 175.038 176.000 0.059 0.000 1.061 263 Q CA -0.569 55.290 55.803 0.094 0.000 0.816 263 Q CB 1.281 30.100 28.738 0.134 0.000 1.325 263 Q HN 0.230 nan 8.270 nan 0.000 0.446 264 T N 2.632 117.200 114.554 0.024 0.000 2.895 264 T HA 0.418 4.770 4.350 0.003 0.000 0.283 264 T C -1.170 173.498 174.700 -0.053 0.000 1.014 264 T CA -0.595 61.497 62.100 -0.015 0.000 1.037 264 T CB 1.423 70.275 68.868 -0.027 0.000 1.006 264 T HN 0.609 nan 8.240 nan 0.000 0.468 265 E N 2.112 122.269 120.200 -0.071 0.000 2.293 265 E HA 0.662 5.014 4.350 0.003 0.000 0.270 265 E C -1.314 175.163 176.600 -0.204 0.000 0.879 265 E CA -0.868 55.442 56.400 -0.150 0.000 0.756 265 E CB 1.378 31.028 29.700 -0.083 0.000 1.208 265 E HN 0.695 nan 8.360 nan 0.000 0.428 266 I N -0.659 119.727 120.570 -0.306 0.000 2.865 266 I HA 0.595 4.767 4.170 0.003 0.000 0.302 266 I C -1.038 174.873 176.117 -0.344 0.000 1.140 266 I CA -0.689 60.458 61.300 -0.255 0.000 1.021 266 I CB 2.595 40.475 38.000 -0.199 0.000 1.233 266 I HN 0.249 nan 8.210 nan 0.000 0.427 267 T N 4.119 118.516 114.554 -0.261 0.000 2.807 267 T HA 0.662 5.014 4.350 0.003 0.000 0.279 267 T C -0.273 174.315 174.700 -0.187 0.000 0.993 267 T CA -0.541 61.402 62.100 -0.261 0.000 0.970 267 T CB 1.732 70.474 68.868 -0.209 0.000 0.950 267 T HN 0.695 nan 8.240 nan 0.000 0.441 268 V N 0.141 119.947 119.914 -0.180 0.000 3.113 268 V HA 1.012 5.134 4.120 0.003 0.000 0.316 268 V C -0.057 175.972 176.094 -0.108 0.000 1.125 268 V CA -1.643 60.580 62.300 -0.130 0.000 1.026 268 V CB 1.368 33.116 31.823 -0.125 0.000 1.080 268 V HN 0.994 nan 8.190 nan 0.000 0.444 269 A N 0.662 123.435 122.820 -0.079 0.000 2.409 269 A HA 0.888 5.210 4.320 0.003 0.000 0.262 269 A C 0.599 178.150 177.584 -0.055 0.000 1.113 269 A CA 0.537 52.538 52.037 -0.060 0.000 0.790 269 A CB -0.291 18.684 19.000 -0.042 0.000 1.046 269 A HN 2.568 nan 8.150 nan 0.000 0.496 270 G N -0.747 108.026 108.800 -0.046 0.000 2.328 270 G HA2 0.620 4.582 3.960 0.003 0.000 0.299 270 G HA3 0.620 4.582 3.960 0.003 0.000 0.299 270 G C -0.172 174.715 174.900 -0.022 0.000 1.435 270 G CA 0.031 45.112 45.100 -0.032 0.000 0.865 270 G HN 1.450 nan 8.290 nan 0.000 0.601 271 A N -0.536 122.289 122.820 0.008 0.000 2.417 271 A HA 0.587 4.909 4.320 0.003 0.000 0.224 271 A C 1.536 179.135 177.584 0.025 0.000 2.273 271 A CA 1.796 53.847 52.037 0.024 0.000 1.018 271 A CB -0.466 18.573 19.000 0.065 0.000 1.400 271 A HN 1.209 nan 8.150 nan 0.000 0.580 272 H N -1.855 117.174 119.070 -0.068 0.000 2.393 272 H HA 0.342 4.900 4.556 0.004 0.000 0.301 272 H C -0.351 174.830 175.328 -0.245 0.000 1.019 272 H CA 0.241 56.158 56.048 -0.218 0.000 1.311 272 H CB 0.103 29.611 29.762 -0.423 0.000 1.475 272 H HN 0.304 nan 8.280 nan 0.000 0.572 273 F N 2.991 122.932 119.950 -0.015 0.000 2.660 273 F HA 0.169 4.697 4.527 0.002 0.000 0.342 273 F C 1.519 177.195 175.800 -0.207 0.000 1.195 273 F CA -0.289 57.615 58.000 -0.160 0.000 1.300 273 F CB -0.358 38.612 39.000 -0.050 0.000 1.616 273 F HN 0.294 nan 8.300 nan 0.000 0.592 274 I N -2.054 118.408 120.570 -0.180 0.000 2.700 274 I HA -0.240 3.932 4.170 0.003 0.000 0.261 274 I C 1.469 177.505 176.117 -0.136 0.000 1.219 274 I CA 1.224 62.444 61.300 -0.134 0.000 1.463 274 I CB -0.190 37.720 38.000 -0.150 0.000 1.092 274 I HN 0.252 nan 8.210 nan 0.000 0.452 275 Q N 1.342 121.016 119.800 -0.210 0.000 2.364 275 Q HA -0.071 4.271 4.340 0.003 0.000 0.207 275 Q C 1.775 177.720 176.000 -0.091 0.000 0.970 275 Q CA 1.066 56.763 55.803 -0.176 0.000 0.888 275 Q CB -0.172 28.374 28.738 -0.320 0.000 0.951 275 Q HN 0.580 nan 8.270 nan 0.000 0.469 276 E N -0.140 120.033 120.200 -0.045 0.000 2.447 276 E HA -0.027 4.325 4.350 0.003 0.000 0.195 276 E C 0.474 177.076 176.600 0.003 0.000 1.028 276 E CA 0.374 56.775 56.400 0.001 0.000 0.876 276 E CB 0.425 30.154 29.700 0.048 0.000 0.885 276 E HN 0.405 nan 8.360 nan 0.000 0.500 277 D N -0.096 120.297 120.400 -0.011 0.000 2.431 277 D HA 0.069 4.711 4.640 0.003 0.000 0.235 277 D C 0.293 176.580 176.300 -0.023 0.000 0.980 277 D CA 0.541 54.535 54.000 -0.010 0.000 0.912 277 D CB 0.526 41.321 40.800 -0.009 0.000 1.056 277 D HN -0.133 nan 8.370 nan 0.000 0.494 278 S N 1.780 117.455 115.700 -0.041 0.000 2.422 278 S HA 0.173 4.645 4.470 0.003 0.000 0.226 278 S C -1.855 172.711 174.600 -0.057 0.000 1.242 278 S CA -0.839 57.333 58.200 -0.047 0.000 1.231 278 S CB 1.780 64.943 63.200 -0.062 0.000 1.067 278 S HN 0.120 nan 8.310 nan 0.000 0.462 279 P HA -0.128 nan 4.420 nan 0.000 0.215 279 P C 0.548 177.793 177.300 -0.091 0.000 1.153 279 P CA 1.325 64.397 63.100 -0.045 0.000 0.853 279 P CB 0.194 31.885 31.700 -0.015 0.000 0.788 280 D N 0.040 120.414 120.400 -0.044 0.000 2.183 280 D HA -0.112 4.530 4.640 0.003 0.000 0.203 280 D C 1.914 178.111 176.300 -0.171 0.000 0.969 280 D CA 1.025 54.983 54.000 -0.069 0.000 0.842 280 D CB -0.327 40.537 40.800 0.107 0.000 0.957 280 D HN 0.233 nan 8.370 nan 0.000 0.484 281 E N 0.408 120.545 120.200 -0.105 0.000 2.107 281 E HA -0.028 4.324 4.350 0.003 0.000 0.191 281 E C 2.227 178.746 176.600 -0.135 0.000 0.982 281 E CA 0.300 56.640 56.400 -0.100 0.000 0.809 281 E CB -0.093 29.559 29.700 -0.079 0.000 0.756 281 E HN 0.314 nan 8.360 nan 0.000 0.459 282 I N 0.318 120.805 120.570 -0.139 0.000 2.202 282 I HA -0.161 4.011 4.170 0.003 0.000 0.242 282 I C 2.370 178.399 176.117 -0.146 0.000 1.091 282 I CA 1.319 62.551 61.300 -0.112 0.000 1.368 282 I CB -0.538 37.430 38.000 -0.054 0.000 1.058 282 I HN 0.202 nan 8.210 nan 0.000 0.410 283 G N 0.370 108.982 108.800 -0.313 0.000 2.418 283 G HA2 -0.232 3.730 3.960 0.003 0.000 0.217 283 G HA3 -0.232 3.730 3.960 0.003 0.000 0.217 283 G C 1.849 176.534 174.900 -0.357 0.000 1.158 283 G CA 0.815 45.637 45.100 -0.463 0.000 0.771 283 G HN 0.486 nan 8.290 nan 0.000 0.545 284 A N 1.109 123.707 122.820 -0.369 0.000 1.902 284 A HA 0.284 4.606 4.320 0.003 0.000 0.217 284 A C 2.792 180.368 177.584 -0.013 0.000 1.181 284 A CA 2.215 54.218 52.037 -0.056 0.000 0.623 284 A CB -0.701 18.294 19.000 -0.010 0.000 0.818 284 A HN 0.746 nan 8.150 nan 0.000 0.443 285 A N -0.185 122.604 122.820 -0.050 0.000 1.930 285 A HA -0.008 4.314 4.320 0.003 0.000 0.217 285 A C 2.098 179.700 177.584 0.030 0.000 1.175 285 A CA 1.385 53.407 52.037 -0.025 0.000 0.627 285 A CB -0.547 18.404 19.000 -0.082 0.000 0.815 285 A HN 0.484 nan 8.150 nan 0.000 0.443 286 I N -0.197 120.389 120.570 0.026 0.000 2.226 286 I HA -0.264 3.908 4.170 0.003 0.000 0.245 286 I C 2.974 179.181 176.117 0.150 0.000 1.100 286 I CA 1.002 62.364 61.300 0.103 0.000 1.374 286 I CB -0.333 37.709 38.000 0.070 0.000 1.057 286 I HN 0.348 nan 8.210 nan 0.000 0.413 287 A N 0.824 123.713 122.820 0.114 0.000 1.883 287 A HA -0.206 4.116 4.320 0.003 0.000 0.217 287 A C 2.547 180.190 177.584 0.100 0.000 1.186 287 A CA 2.020 54.126 52.037 0.114 0.000 0.624 287 A CB -0.920 18.162 19.000 0.136 0.000 0.822 287 A HN 0.435 nan 8.150 nan 0.000 0.444 288 A N -1.320 121.562 122.820 0.104 0.000 1.933 288 A HA -0.035 4.287 4.320 0.003 0.000 0.218 288 A C 2.038 179.706 177.584 0.140 0.000 1.175 288 A CA 1.666 53.760 52.037 0.096 0.000 0.628 288 A CB -0.692 18.356 19.000 0.080 0.000 0.814 288 A HN 0.703 nan 8.150 nan 0.000 0.444 289 F N 0.782 120.728 119.950 -0.007 0.000 2.102 289 F HA -0.127 4.401 4.527 0.001 0.000 0.298 289 F C 2.196 177.991 175.800 -0.009 0.000 1.105 289 F CA 1.855 59.850 58.000 -0.009 0.000 1.239 289 F CB -0.468 38.523 39.000 -0.015 0.000 0.991 289 F HN 0.016 nan 8.300 nan 0.000 0.474 290 V N 1.034 120.924 119.914 -0.041 0.000 2.515 290 V HA -0.250 3.872 4.120 0.003 0.000 0.250 290 V C 2.491 178.518 176.094 -0.112 0.000 1.058 290 V CA 1.991 64.196 62.300 -0.158 0.000 1.064 290 V CB -0.685 31.103 31.823 -0.057 0.000 0.675 290 V HN 0.282 nan 8.190 nan 0.000 0.461 291 R N -0.289 120.186 120.500 -0.041 0.000 2.115 291 R HA -0.068 4.274 4.340 0.003 0.000 0.230 291 R C 2.510 178.783 176.300 -0.044 0.000 1.111 291 R CA 1.077 57.161 56.100 -0.027 0.000 0.976 291 R CB -0.254 30.049 30.300 0.006 0.000 0.870 291 R HN 0.487 nan 8.270 nan 0.000 0.445 292 R N 0.397 120.863 120.500 -0.057 0.000 2.090 292 R HA -0.016 4.326 4.340 0.003 0.000 0.228 292 R C 2.182 178.418 176.300 -0.107 0.000 1.110 292 R CA 0.997 57.062 56.100 -0.058 0.000 0.973 292 R CB -0.161 30.123 30.300 -0.027 0.000 0.869 292 R HN 0.190 nan 8.270 nan 0.000 0.440 293 L N 0.065 121.171 121.223 -0.196 0.000 2.240 293 L HA -0.032 4.310 4.340 0.003 0.000 0.211 293 L C 0.770 177.564 176.870 -0.127 0.000 1.106 293 L CA 0.960 55.676 54.840 -0.206 0.000 0.793 293 L CB 0.017 41.863 42.059 -0.355 0.000 0.927 293 L HN 0.031 nan 8.230 nan 0.000 0.446 294 R N 0.804 121.243 120.500 -0.102 0.000 2.868 294 R HA 0.250 4.591 4.340 0.003 0.000 0.289 294 R C -2.363 173.912 176.300 -0.042 0.000 1.443 294 R CA -1.540 54.521 56.100 -0.064 0.000 1.651 294 R CB 0.262 30.526 30.300 -0.060 0.000 1.242 294 R HN -0.025 nan 8.270 nan 0.000 0.621 295 P HA 0.007 nan 4.420 nan 0.000 0.261 295 P C -0.393 176.898 177.300 -0.016 0.000 1.203 295 P CA 0.308 63.395 63.100 -0.023 0.000 0.767 295 P CB 1.109 32.796 31.700 -0.020 0.000 0.785 296 A N 0.000 122.814 122.820 -0.011 0.000 2.254 296 A HA 0.000 4.322 4.320 0.003 0.000 0.244 296 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 296 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 296 A HN 0.000 nan 8.150 nan 0.000 0.486