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 2oej_1_B DATA FIRST_RESID 2 DATA SEQUENCE SAVMATYLLH DETDIRKKAE GIALGLTIGT WTDLPALEQE QLRKHKGEVV DATA SEQUENCE AIEELGESER VNAYFGKRLK RAIVKIAYPT VNFSADLPAL LVTTFGKLSL DATA SEQUENCE DGEVRLLDLE FPDEWKRQFP GPRFGIDGIR DRVGVHNRPL LMSIFKGMIG DATA SEQUENCE RDLAYLTPEL KKQALGGVDL VKDDEILFDS ELLPFEKRIT EGKAALQEVY DATA SEQUENCE EQTGKRTLYA VNLTGKTFAL KDKAKRAAEL GADVLLFNVF AYGLDVLQAL DATA SEQUENCE REDEEIAVPI MAHPVFSGAV TPSEFYGVAP SLWLGKLLRL AGADFVLFPS DATA SEQUENCE PYXXXXXERE QALGIARALT DDQEPFARAF PVPSAGIHPG LVPLIIRDFG DATA SEQUENCE LDTIVNAGGG IHGHPHGAIG GGRAFRAAID AVLAGRPLRA AAAENEALQK DATA SEQUENCE AIDRWGVVEV EA 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 0.000 174.581 174.600 -0.031 0.000 1.055 2 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 2 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 3 A N 1.186 123.992 122.820 -0.023 0.000 2.566 3 A HA 0.687 5.007 4.320 -0.000 0.000 0.297 3 A C -1.371 176.209 177.584 -0.007 0.000 1.059 3 A CA -0.277 51.751 52.037 -0.015 0.000 0.691 3 A CB 1.643 20.641 19.000 -0.002 0.000 1.282 3 A HN 0.589 nan 8.150 nan 0.000 0.401 4 V N 3.116 123.053 119.914 0.038 0.000 2.461 4 V HA 0.365 4.485 4.120 -0.000 0.000 0.275 4 V C 0.382 176.527 176.094 0.086 0.000 1.047 4 V CA 0.020 62.347 62.300 0.045 0.000 0.955 4 V CB 1.230 33.105 31.823 0.086 0.000 0.988 4 V HN 0.889 nan 8.190 nan 0.000 0.471 5 M N 5.263 124.849 119.600 -0.023 0.000 2.113 5 M HA 0.643 5.123 4.480 -0.000 0.000 0.352 5 M C -0.065 176.187 176.300 -0.079 0.000 1.170 5 M CA -0.353 54.925 55.300 -0.037 0.000 1.053 5 M CB 0.954 33.506 32.600 -0.080 0.000 1.601 5 M HN 0.735 nan 8.290 nan 0.000 0.459 6 A N 3.739 126.549 122.820 -0.016 0.000 2.317 6 A HA 0.739 5.059 4.320 -0.000 0.000 0.327 6 A C -0.581 176.784 177.584 -0.366 0.000 1.178 6 A CA -0.501 51.418 52.037 -0.197 0.000 0.817 6 A CB 0.919 19.868 19.000 -0.085 0.000 1.189 6 A HN 0.743 nan 8.150 nan 0.000 0.489 7 T N 2.423 116.685 114.554 -0.487 0.000 2.779 7 T HA 0.598 4.948 4.350 -0.000 0.000 0.280 7 T C -1.139 173.266 174.700 -0.492 0.000 0.987 7 T CA 0.193 62.078 62.100 -0.357 0.000 0.966 7 T CB 0.244 68.988 68.868 -0.207 0.000 0.933 7 T HN 0.450 nan 8.240 nan 0.000 0.442 8 Y N 1.342 121.635 120.300 -0.011 0.000 2.598 8 Y HA 0.725 5.275 4.550 -0.000 0.000 0.340 8 Y C -0.388 175.514 175.900 0.003 0.000 1.038 8 Y CA -1.557 56.542 58.100 -0.002 0.000 1.100 8 Y CB 1.295 39.791 38.460 0.060 0.000 1.281 8 Y HN 0.438 nan 8.280 nan 0.000 0.488 9 L N 2.859 124.203 121.223 0.202 0.000 2.313 9 L HA 0.642 4.982 4.340 -0.000 0.000 0.283 9 L C -1.701 175.284 176.870 0.190 0.000 1.013 9 L CA -0.445 54.477 54.840 0.138 0.000 0.816 9 L CB 0.750 42.885 42.059 0.127 0.000 1.236 9 L HN 0.556 nan 8.230 nan 0.000 0.419 10 L N 5.092 126.376 121.223 0.102 0.000 2.346 10 L HA 0.492 4.832 4.340 -0.000 0.000 0.276 10 L C -1.140 175.726 176.870 -0.006 0.000 1.006 10 L CA -0.728 54.169 54.840 0.096 0.000 0.817 10 L CB 1.674 43.754 42.059 0.035 0.000 1.272 10 L HN 0.621 nan 8.230 nan 0.000 0.421 11 H N 1.301 120.364 119.070 -0.012 0.000 2.708 11 H HA 0.557 5.113 4.556 -0.000 0.000 0.320 11 H C -1.341 173.899 175.328 -0.148 0.000 0.991 11 H CA -0.512 55.493 56.048 -0.071 0.000 1.243 11 H CB 1.375 31.071 29.762 -0.110 0.000 1.446 11 H HN 0.464 nan 8.280 nan 0.000 0.502 12 D N 0.873 121.242 120.400 -0.051 0.000 2.717 12 D HA 0.139 4.779 4.640 -0.000 0.000 0.223 12 D C 0.484 176.741 176.300 -0.072 0.000 1.240 12 D CA -0.517 53.434 54.000 -0.080 0.000 0.801 12 D CB 1.560 42.325 40.800 -0.058 0.000 1.556 12 D HN 0.478 nan 8.370 nan 0.000 0.462 13 E N 0.024 120.179 120.200 -0.076 0.000 2.015 13 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 13 E C 0.867 177.443 176.600 -0.041 0.000 0.991 13 E CA 1.005 57.373 56.400 -0.054 0.000 0.802 13 E CB -0.253 29.415 29.700 -0.053 0.000 0.759 13 E HN 0.642 nan 8.360 nan 0.000 0.447 14 T N 0.320 114.849 114.554 -0.040 0.000 2.734 14 T HA -0.102 4.248 4.350 -0.000 0.000 0.314 14 T C 0.343 175.025 174.700 -0.030 0.000 1.057 14 T CA -0.667 61.414 62.100 -0.031 0.000 1.047 14 T CB 0.711 69.561 68.868 -0.030 0.000 0.991 14 T HN -0.040 nan 8.240 nan 0.000 0.540 15 D N 1.205 121.591 120.400 -0.024 0.000 2.520 15 D HA -0.078 4.562 4.640 -0.000 0.000 0.243 15 D C 1.376 177.661 176.300 -0.025 0.000 1.160 15 D CA -0.323 53.663 54.000 -0.022 0.000 0.877 15 D CB 0.331 41.121 40.800 -0.017 0.000 1.150 15 D HN 0.424 nan 8.370 nan 0.000 0.494 16 I N 4.777 125.331 120.570 -0.026 0.000 2.099 16 I HA -0.267 3.903 4.170 -0.000 0.000 0.239 16 I C 2.537 178.640 176.117 -0.024 0.000 1.066 16 I CA 1.191 62.474 61.300 -0.027 0.000 1.324 16 I CB -0.946 37.037 38.000 -0.029 0.000 1.037 16 I HN 0.589 nan 8.210 nan 0.000 0.401 17 R N 1.179 121.667 120.500 -0.021 0.000 2.170 17 R HA -0.199 4.140 4.340 -0.000 0.000 0.242 17 R C 2.207 178.494 176.300 -0.021 0.000 1.145 17 R CA 1.484 57.572 56.100 -0.020 0.000 0.984 17 R CB 0.001 30.290 30.300 -0.018 0.000 0.869 17 R HN 0.339 nan 8.270 nan 0.000 0.455 18 K N 0.217 120.605 120.400 -0.019 0.000 2.007 18 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 18 K C 2.117 178.704 176.600 -0.021 0.000 1.047 18 K CA 1.523 57.800 56.287 -0.017 0.000 0.937 18 K CB -0.125 32.367 32.500 -0.015 0.000 0.718 18 K HN 0.085 nan 8.250 nan 0.000 0.438 19 K N 0.897 121.281 120.400 -0.026 0.000 2.063 19 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 19 K C 2.091 178.669 176.600 -0.038 0.000 1.048 19 K CA 1.299 57.567 56.287 -0.032 0.000 0.928 19 K CB -0.105 32.374 32.500 -0.036 0.000 0.713 19 K HN 0.146 nan 8.250 nan 0.000 0.442 20 A N 1.526 124.325 122.820 -0.036 0.000 1.883 20 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 20 A C 1.927 179.484 177.584 -0.044 0.000 1.186 20 A CA 1.719 53.733 52.037 -0.038 0.000 0.624 20 A CB -0.513 18.472 19.000 -0.025 0.000 0.822 20 A HN 0.345 nan 8.150 nan 0.000 0.444 21 E N -0.402 119.775 120.200 -0.038 0.000 2.058 21 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 21 E C 2.205 178.784 176.600 -0.036 0.000 0.997 21 E CA 1.264 57.638 56.400 -0.042 0.000 0.801 21 E CB -0.953 28.729 29.700 -0.030 0.000 0.746 21 E HN 0.580 nan 8.360 nan 0.000 0.450 22 G N 1.355 110.140 108.800 -0.025 0.000 2.440 22 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 22 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 22 G C 1.787 176.679 174.900 -0.014 0.000 1.154 22 G CA 0.810 45.901 45.100 -0.014 0.000 0.767 22 G HN 0.194 nan 8.290 nan 0.000 0.552 23 I N 1.381 121.934 120.570 -0.028 0.000 2.113 23 I HA -0.186 3.984 4.170 -0.000 0.000 0.238 23 I C 3.331 179.449 176.117 0.001 0.000 1.070 23 I CA 1.082 62.371 61.300 -0.018 0.000 1.332 23 I CB -0.396 37.567 38.000 -0.061 0.000 1.044 23 I HN 0.239 nan 8.210 nan 0.000 0.402 24 A N 0.443 123.230 122.820 -0.055 0.000 1.986 24 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 24 A C 2.360 179.905 177.584 -0.066 0.000 1.171 24 A CA 1.695 53.663 52.037 -0.116 0.000 0.640 24 A CB -0.698 18.209 19.000 -0.154 0.000 0.811 24 A HN 0.487 nan 8.150 nan 0.000 0.451 25 L N -1.608 119.593 121.223 -0.038 0.000 2.130 25 L HA 0.089 4.429 4.340 -0.000 0.000 0.200 25 L C 2.635 179.528 176.870 0.038 0.000 1.075 25 L CA 1.125 55.957 54.840 -0.015 0.000 0.768 25 L CB -0.726 41.328 42.059 -0.009 0.000 0.933 25 L HN 0.431 nan 8.230 nan 0.000 0.451 26 G N 0.400 109.223 108.800 0.038 0.000 2.440 26 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.218 26 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.218 26 G C 1.384 176.327 174.900 0.072 0.000 1.154 26 G CA 0.646 45.775 45.100 0.049 0.000 0.767 26 G HN 0.356 nan 8.290 nan 0.000 0.552 27 L N 1.373 122.660 121.223 0.107 0.000 2.627 27 L HA 0.157 4.497 4.340 -0.000 0.000 0.233 27 L C 2.219 179.208 176.870 0.198 0.000 1.144 27 L CA 0.912 55.846 54.840 0.157 0.000 0.892 27 L CB -0.517 41.693 42.059 0.252 0.000 1.039 27 L HN 0.477 nan 8.230 nan 0.000 0.442 28 T N -2.867 111.783 114.554 0.160 0.000 3.364 28 T HA 0.136 4.486 4.350 -0.000 0.000 0.179 28 T C 1.413 176.191 174.700 0.130 0.000 0.939 28 T CA 0.127 62.329 62.100 0.171 0.000 1.094 28 T CB -0.340 68.626 68.868 0.162 0.000 1.532 28 T HN 0.139 nan 8.240 nan 0.000 0.346 29 I N -0.767 119.874 120.570 0.119 0.000 3.603 29 I HA 0.610 4.780 4.170 -0.000 0.000 0.297 29 I C 1.922 178.111 176.117 0.121 0.000 1.269 29 I CA 0.389 61.767 61.300 0.129 0.000 1.361 29 I CB -0.457 37.657 38.000 0.190 0.000 1.063 29 I HN 0.754 nan 8.210 nan 0.000 0.448 30 G N 2.155 111.018 108.800 0.105 0.000 5.045 30 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.229 30 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.229 30 G C 0.506 175.472 174.900 0.109 0.000 1.440 30 G CA 0.485 45.639 45.100 0.091 0.000 0.936 30 G HN 0.741 nan 8.290 nan 0.000 0.690 31 T N -3.498 111.139 114.554 0.139 0.000 2.924 31 T HA 0.677 5.027 4.350 -0.000 0.000 0.291 31 T C 0.170 175.041 174.700 0.286 0.000 1.045 31 T CA 0.339 62.535 62.100 0.160 0.000 1.015 31 T CB 2.772 71.698 68.868 0.096 0.000 1.103 31 T HN 1.249 nan 8.240 nan 0.000 0.496 32 W N 0.280 121.591 121.300 0.017 0.000 5.233 32 W HA -0.039 4.621 4.660 -0.000 0.000 0.164 32 W C 1.333 177.861 176.519 0.014 0.000 1.120 32 W CA 0.601 57.958 57.345 0.019 0.000 1.836 32 W CB -0.564 28.908 29.460 0.020 0.000 0.544 32 W HN 0.722 nan 8.180 nan 0.000 1.083 33 T N 1.840 116.480 114.554 0.143 0.000 2.649 33 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 33 T C 0.727 175.372 174.700 -0.092 0.000 1.036 33 T CA 2.116 64.233 62.100 0.029 0.000 1.157 33 T CB -0.569 68.350 68.868 0.085 0.000 0.861 33 T HN 0.095 nan 8.240 nan 0.000 0.445 34 D N 0.772 121.132 120.400 -0.067 0.000 2.342 34 D HA 0.236 4.876 4.640 -0.000 0.000 0.221 34 D C 0.272 176.504 176.300 -0.113 0.000 1.101 34 D CA 0.024 53.978 54.000 -0.077 0.000 0.837 34 D CB 0.054 40.834 40.800 -0.033 0.000 0.938 34 D HN 0.380 nan 8.370 nan 0.000 0.508 35 L N 1.435 122.542 121.223 -0.193 0.000 2.375 35 L HA 0.280 4.620 4.340 -0.000 0.000 0.271 35 L C -2.062 174.672 176.870 -0.227 0.000 1.107 35 L CA -1.754 52.965 54.840 -0.201 0.000 0.806 35 L CB 0.436 42.340 42.059 -0.259 0.000 1.146 35 L HN -0.366 nan 8.230 nan 0.000 0.447 36 P HA 0.000 nan 4.420 nan 0.000 0.265 36 P C 0.216 177.412 177.300 -0.173 0.000 1.193 36 P CA 0.034 63.054 63.100 -0.133 0.000 0.765 36 P CB 0.901 32.550 31.700 -0.086 0.000 0.823 37 A N 3.659 126.389 122.820 -0.150 0.000 1.915 37 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 37 A C 1.908 179.425 177.584 -0.112 0.000 1.198 37 A CA 1.972 53.922 52.037 -0.145 0.000 0.647 37 A CB -1.584 17.365 19.000 -0.084 0.000 0.825 37 A HN 0.592 nan 8.150 nan 0.000 0.456 38 L N -0.081 121.097 121.223 -0.075 0.000 2.079 38 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 38 L C 2.233 179.077 176.870 -0.043 0.000 1.081 38 L CA 2.756 57.569 54.840 -0.044 0.000 0.752 38 L CB -0.627 41.414 42.059 -0.031 0.000 0.896 38 L HN 0.631 nan 8.230 nan 0.000 0.433 39 E N -1.505 118.651 120.200 -0.073 0.000 2.216 39 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 39 E C 2.039 178.594 176.600 -0.076 0.000 0.988 39 E CA 0.612 56.977 56.400 -0.058 0.000 0.834 39 E CB 0.009 29.668 29.700 -0.069 0.000 0.772 39 E HN 0.677 nan 8.360 nan 0.000 0.479 40 Q N 0.327 119.999 119.800 -0.214 0.000 2.079 40 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 40 Q C 1.974 178.019 176.000 0.075 0.000 0.974 40 Q CA 1.451 57.037 55.803 -0.362 0.000 0.840 40 Q CB -0.039 28.209 28.738 -0.817 0.000 0.898 40 Q HN 0.354 nan 8.270 nan 0.000 0.430 41 E N 0.893 121.121 120.200 0.047 0.000 2.097 41 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 41 E C 1.975 178.649 176.600 0.123 0.000 1.000 41 E CA 1.241 57.702 56.400 0.102 0.000 0.804 41 E CB -0.027 29.704 29.700 0.051 0.000 0.740 41 E HN 0.396 nan 8.360 nan 0.000 0.454 42 Q N -0.182 119.681 119.800 0.105 0.000 2.297 42 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 42 Q C 1.748 177.868 176.000 0.200 0.000 0.962 42 Q CA 0.650 56.526 55.803 0.122 0.000 0.879 42 Q CB 0.264 29.055 28.738 0.088 0.000 0.947 42 Q HN 0.295 nan 8.270 nan 0.000 0.462 43 L N -0.560 120.823 121.223 0.266 0.000 2.693 43 L HA 0.184 4.524 4.340 -0.000 0.000 0.235 43 L C 1.923 179.028 176.870 0.391 0.000 1.127 43 L CA -0.235 54.838 54.840 0.389 0.000 0.914 43 L CB 0.158 42.446 42.059 0.381 0.000 1.193 43 L HN 0.050 nan 8.230 nan 0.000 0.502 44 R N 2.409 123.115 120.500 0.344 0.000 2.113 44 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 44 R C 2.206 178.523 176.300 0.028 0.000 1.142 44 R CA 2.036 58.256 56.100 0.200 0.000 0.953 44 R CB -0.356 30.060 30.300 0.193 0.000 0.860 44 R HN 0.394 nan 8.270 nan 0.000 0.438 45 K N -1.199 119.187 120.400 -0.023 0.000 2.286 45 K HA -0.187 4.133 4.320 -0.000 0.000 0.203 45 K C 0.834 177.270 176.600 -0.275 0.000 1.045 45 K CA 1.774 57.951 56.287 -0.183 0.000 0.935 45 K CB -0.337 31.996 32.500 -0.278 0.000 0.737 45 K HN 0.477 nan 8.250 nan 0.000 0.460 46 H N 0.512 119.608 119.070 0.043 0.000 2.586 46 H HA 0.179 4.735 4.556 -0.000 0.000 0.273 46 H C -0.051 175.290 175.328 0.022 0.000 0.997 46 H CA -0.214 55.865 56.048 0.051 0.000 1.177 46 H CB 0.486 30.298 29.762 0.083 0.000 1.471 46 H HN 0.146 nan 8.280 nan 0.000 0.538 47 K N 1.776 122.192 120.400 0.027 0.000 2.339 47 K HA 0.213 4.533 4.320 -0.000 0.000 0.286 47 K C 0.463 176.988 176.600 -0.125 0.000 1.050 47 K CA -0.282 55.934 56.287 -0.118 0.000 0.956 47 K CB 0.732 32.985 32.500 -0.412 0.000 0.990 47 K HN 0.157 nan 8.250 nan 0.000 0.475 48 G N 3.216 111.954 108.800 -0.104 0.000 2.503 48 G HA2 0.185 4.145 3.960 -0.000 0.000 0.257 48 G HA3 0.185 4.145 3.960 -0.000 0.000 0.257 48 G C -0.798 173.979 174.900 -0.205 0.000 1.214 48 G CA -0.388 44.622 45.100 -0.151 0.000 0.839 48 G HN 0.608 nan 8.290 nan 0.000 0.559 49 E N 0.093 120.165 120.200 -0.214 0.000 2.314 49 E HA 0.280 4.630 4.350 -0.000 0.000 0.272 49 E C -0.789 175.712 176.600 -0.165 0.000 0.884 49 E CA -0.777 55.515 56.400 -0.180 0.000 0.753 49 E CB 2.370 31.980 29.700 -0.150 0.000 1.213 49 E HN 0.192 nan 8.360 nan 0.000 0.432 50 V N 2.908 122.746 119.914 -0.126 0.000 2.470 50 V HA 0.013 4.133 4.120 -0.000 0.000 0.276 50 V C 1.260 177.307 176.094 -0.078 0.000 1.040 50 V CA 0.141 62.386 62.300 -0.093 0.000 1.008 50 V CB 1.038 32.822 31.823 -0.066 0.000 0.990 50 V HN 0.564 nan 8.190 nan 0.000 0.477 51 V N 4.191 124.063 119.914 -0.069 0.000 2.825 51 V HA 0.406 4.526 4.120 -0.000 0.000 0.246 51 V C 0.761 176.829 176.094 -0.043 0.000 1.068 51 V CA 1.362 63.627 62.300 -0.059 0.000 1.088 51 V CB 0.072 31.858 31.823 -0.061 0.000 0.733 51 V HN 0.983 nan 8.190 nan 0.000 0.468 52 A N -0.648 122.152 122.820 -0.034 0.000 2.583 52 A HA 0.738 5.058 4.320 -0.000 0.000 0.292 52 A C -1.529 176.045 177.584 -0.016 0.000 1.045 52 A CA -0.411 51.610 52.037 -0.026 0.000 0.672 52 A CB 1.205 20.188 19.000 -0.029 0.000 1.283 52 A HN 0.073 nan 8.150 nan 0.000 0.419 53 I N 0.338 120.898 120.570 -0.017 0.000 2.769 53 I HA 0.587 4.757 4.170 -0.000 0.000 0.298 53 I C -0.525 175.582 176.117 -0.016 0.000 1.128 53 I CA -0.343 60.949 61.300 -0.012 0.000 1.031 53 I CB 2.503 40.495 38.000 -0.014 0.000 1.235 53 I HN 0.845 nan 8.210 nan 0.000 0.423 54 E N 5.169 125.359 120.200 -0.017 0.000 2.409 54 E HA 0.211 4.561 4.350 -0.000 0.000 0.259 54 E C -1.105 175.480 176.600 -0.025 0.000 0.932 54 E CA -0.545 55.842 56.400 -0.021 0.000 0.809 54 E CB 1.246 30.933 29.700 -0.021 0.000 1.341 54 E HN 0.446 nan 8.360 nan 0.000 0.405 55 E N 3.770 123.954 120.200 -0.026 0.000 2.398 55 E HA 0.078 4.428 4.350 -0.000 0.000 0.263 55 E C 0.595 177.176 176.600 -0.032 0.000 1.046 55 E CA 0.231 56.612 56.400 -0.031 0.000 0.908 55 E CB 1.273 30.957 29.700 -0.026 0.000 0.963 55 E HN 0.629 nan 8.360 nan 0.000 0.431 56 L N 0.743 121.942 121.223 -0.041 0.000 2.966 56 L HA 0.234 4.574 4.340 -0.000 0.000 0.262 56 L C 0.855 177.708 176.870 -0.028 0.000 1.165 56 L CA 0.108 54.927 54.840 -0.035 0.000 0.978 56 L CB 0.396 42.427 42.059 -0.046 0.000 1.337 56 L HN 0.743 nan 8.230 nan 0.000 0.563 57 G N 1.366 110.148 108.800 -0.029 0.000 2.755 57 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 57 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 57 G C -0.452 174.441 174.900 -0.013 0.000 1.427 57 G CA -0.707 44.383 45.100 -0.017 0.000 0.873 57 G HN 0.232 nan 8.290 nan 0.000 0.580 58 E N -0.439 119.761 120.200 0.001 0.000 2.392 58 E HA 0.465 4.815 4.350 -0.000 0.000 0.256 58 E C 0.313 176.939 176.600 0.043 0.000 1.145 58 E CA 0.327 56.739 56.400 0.020 0.000 0.929 58 E CB 1.172 30.886 29.700 0.024 0.000 0.998 58 E HN 0.586 nan 8.360 nan 0.000 0.442 59 S N 0.790 116.537 115.700 0.079 0.000 2.552 59 S HA 0.092 4.562 4.470 -0.000 0.000 0.314 59 S C 0.552 175.215 174.600 0.105 0.000 1.099 59 S CA -0.727 57.530 58.200 0.095 0.000 1.070 59 S CB 0.939 64.220 63.200 0.136 0.000 0.998 59 S HN 0.400 nan 8.310 nan 0.000 0.474 60 E N 3.645 123.892 120.200 0.079 0.000 2.160 60 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 60 E C 1.835 178.491 176.600 0.094 0.000 0.991 60 E CA 0.903 57.348 56.400 0.075 0.000 0.810 60 E CB -0.160 29.572 29.700 0.053 0.000 0.742 60 E HN 0.709 nan 8.360 nan 0.000 0.466 61 R N 0.671 121.231 120.500 0.099 0.000 2.066 61 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 61 R C 2.336 178.738 176.300 0.170 0.000 1.131 61 R CA 1.249 57.412 56.100 0.106 0.000 0.955 61 R CB -0.081 30.267 30.300 0.080 0.000 0.851 61 R HN 0.015 nan 8.270 nan 0.000 0.432 62 V N 1.687 121.742 119.914 0.236 0.000 2.261 62 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 62 V C 1.794 178.086 176.094 0.330 0.000 1.047 62 V CA 2.110 64.628 62.300 0.364 0.000 1.015 62 V CB -0.747 31.358 31.823 0.470 0.000 0.642 62 V HN 0.407 nan 8.190 nan 0.000 0.446 63 N N 0.804 119.645 118.700 0.235 0.000 2.061 63 N HA -0.187 4.553 4.740 -0.000 0.000 0.193 63 N C 1.821 177.420 175.510 0.148 0.000 1.030 63 N CA 1.848 55.004 53.050 0.176 0.000 0.856 63 N CB -0.666 37.889 38.487 0.113 0.000 1.023 63 N HN 0.492 nan 8.380 nan 0.000 0.424 64 A N -0.438 122.460 122.820 0.131 0.000 1.933 64 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 64 A C 2.132 179.780 177.584 0.107 0.000 1.175 64 A CA 1.253 53.349 52.037 0.100 0.000 0.628 64 A CB -0.912 18.142 19.000 0.089 0.000 0.814 64 A HN 0.470 nan 8.150 nan 0.000 0.444 65 Y N -0.887 119.393 120.300 -0.032 0.000 2.163 65 Y HA -0.082 4.468 4.550 -0.000 0.000 0.288 65 Y C 1.636 177.378 175.900 -0.264 0.000 1.136 65 Y CA 1.383 59.381 58.100 -0.170 0.000 1.147 65 Y CB -0.438 37.867 38.460 -0.259 0.000 0.987 65 Y HN 0.272 nan 8.280 nan 0.000 0.509 66 F N -0.080 119.758 119.950 -0.188 0.000 2.797 66 F HA 0.216 4.743 4.527 0.000 0.000 0.302 66 F C 1.947 177.643 175.800 -0.172 0.000 1.130 66 F CA 0.703 58.526 58.000 -0.295 0.000 1.387 66 F CB -0.128 38.731 39.000 -0.235 0.000 1.107 66 F HN 0.192 nan 8.300 nan 0.000 0.577 67 G N 1.535 110.357 108.800 0.036 0.000 2.179 67 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 67 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 67 G C 0.113 175.037 174.900 0.039 0.000 1.010 67 G CA 0.794 45.908 45.100 0.023 0.000 0.736 67 G HN 0.526 nan 8.290 nan 0.000 0.513 68 K N -1.966 118.473 120.400 0.066 0.000 2.571 68 K HA 0.682 5.002 4.320 -0.000 0.000 0.289 68 K C -0.533 176.094 176.600 0.044 0.000 1.028 68 K CA -1.370 54.939 56.287 0.037 0.000 0.895 68 K CB 1.163 33.669 32.500 0.010 0.000 1.534 68 K HN 0.080 nan 8.250 nan 0.000 0.421 69 R N 1.139 121.651 120.500 0.019 0.000 2.234 69 R HA 0.375 4.715 4.340 -0.000 0.000 0.324 69 R C -0.710 175.589 176.300 -0.002 0.000 1.054 69 R CA -0.482 55.630 56.100 0.020 0.000 0.912 69 R CB 0.462 30.769 30.300 0.011 0.000 1.030 69 R HN 0.394 nan 8.270 nan 0.000 0.455 70 L N 4.008 125.238 121.223 0.012 0.000 2.343 70 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 70 L C -0.143 176.717 176.870 -0.017 0.000 0.996 70 L CA -0.787 54.042 54.840 -0.017 0.000 0.831 70 L CB 1.796 43.843 42.059 -0.019 0.000 1.232 70 L HN 0.407 nan 8.230 nan 0.000 0.413 71 K N 3.771 124.146 120.400 -0.043 0.000 2.270 71 K HA 0.444 4.764 4.320 -0.000 0.000 0.276 71 K C -0.509 176.025 176.600 -0.111 0.000 1.023 71 K CA -0.413 55.840 56.287 -0.056 0.000 0.955 71 K CB 0.999 33.470 32.500 -0.047 0.000 0.975 71 K HN 0.484 nan 8.250 nan 0.000 0.471 72 R N 0.946 121.363 120.500 -0.139 0.000 2.637 72 R HA 0.718 5.058 4.340 -0.000 0.000 0.291 72 R C -1.003 175.209 176.300 -0.146 0.000 0.963 72 R CA -0.826 55.125 56.100 -0.249 0.000 0.901 72 R CB 2.025 32.136 30.300 -0.315 0.000 1.160 72 R HN 0.697 nan 8.270 nan 0.000 0.457 73 A N 2.410 125.152 122.820 -0.131 0.000 2.608 73 A HA 0.514 4.834 4.320 -0.000 0.000 0.292 73 A C -1.319 176.248 177.584 -0.029 0.000 1.066 73 A CA -0.712 51.288 52.037 -0.063 0.000 0.676 73 A CB 1.310 20.285 19.000 -0.042 0.000 1.277 73 A HN 0.650 nan 8.150 nan 0.000 0.413 74 I N 1.950 122.513 120.570 -0.012 0.000 2.371 74 I HA 0.350 4.520 4.170 -0.000 0.000 0.282 74 I C -0.777 175.356 176.117 0.027 0.000 1.031 74 I CA -0.666 60.641 61.300 0.011 0.000 1.180 74 I CB 1.426 39.420 38.000 -0.010 0.000 1.336 74 I HN 0.337 nan 8.210 nan 0.000 0.467 75 V N 6.963 126.924 119.914 0.079 0.000 2.394 75 V HA 0.328 4.448 4.120 -0.000 0.000 0.282 75 V C 0.098 176.271 176.094 0.133 0.000 1.031 75 V CA -0.732 61.626 62.300 0.096 0.000 0.881 75 V CB 1.486 33.377 31.823 0.113 0.000 0.982 75 V HN 0.600 nan 8.190 nan 0.000 0.451 76 K N 5.379 125.813 120.400 0.056 0.000 2.206 76 K HA 0.746 5.066 4.320 -0.000 0.000 0.264 76 K C -1.083 175.529 176.600 0.020 0.000 0.967 76 K CA -0.373 55.924 56.287 0.018 0.000 0.844 76 K CB 1.988 34.467 32.500 -0.034 0.000 1.099 76 K HN 0.525 nan 8.250 nan 0.000 0.441 77 I N 1.708 122.294 120.570 0.026 0.000 2.582 77 I HA 0.387 4.557 4.170 -0.000 0.000 0.292 77 I C -0.781 175.201 176.117 -0.225 0.000 1.066 77 I CA -1.035 60.203 61.300 -0.103 0.000 1.053 77 I CB 2.195 40.146 38.000 -0.083 0.000 1.241 77 I HN 0.624 nan 8.210 nan 0.000 0.421 78 A N 5.726 128.370 122.820 -0.294 0.000 2.276 78 A HA 0.692 5.012 4.320 -0.000 0.000 0.316 78 A C -1.539 175.869 177.584 -0.294 0.000 1.229 78 A CA -0.210 51.704 52.037 -0.204 0.000 0.851 78 A CB 0.204 19.136 19.000 -0.113 0.000 1.165 78 A HN 0.582 nan 8.150 nan 0.000 0.513 79 Y N 3.880 124.223 120.300 0.073 0.000 2.478 79 Y HA 0.335 4.885 4.550 -0.000 0.000 0.329 79 Y C -2.020 173.967 175.900 0.144 0.000 0.967 79 Y CA -2.732 55.453 58.100 0.141 0.000 1.255 79 Y CB 1.142 39.734 38.460 0.219 0.000 1.103 79 Y HN 0.528 nan 8.280 nan 0.000 0.497 80 P HA -0.108 nan 4.420 nan 0.000 0.260 80 P C 0.976 178.247 177.300 -0.048 0.000 1.172 80 P CA 0.585 63.714 63.100 0.047 0.000 0.760 80 P CB 0.968 32.675 31.700 0.010 0.000 0.773 81 T N -0.495 113.924 114.554 -0.225 0.000 3.025 81 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 81 T C 1.552 175.976 174.700 -0.460 0.000 1.126 81 T CA 0.809 62.540 62.100 -0.614 0.000 1.105 81 T CB -0.701 67.942 68.868 -0.376 0.000 0.884 81 T HN 0.191 nan 8.240 nan 0.000 0.522 82 V N 1.824 121.628 119.914 -0.183 0.000 2.970 82 V HA -0.042 4.078 4.120 -0.000 0.000 0.260 82 V C 1.802 177.926 176.094 0.051 0.000 1.100 82 V CA 1.430 63.696 62.300 -0.056 0.000 1.122 82 V CB -0.855 30.930 31.823 -0.063 0.000 0.721 82 V HN 0.460 nan 8.190 nan 0.000 0.483 83 N N 0.435 119.170 118.700 0.059 0.000 2.457 83 N HA 0.082 4.822 4.740 -0.000 0.000 0.180 83 N C 0.075 175.769 175.510 0.307 0.000 1.050 83 N CA 0.867 54.066 53.050 0.249 0.000 0.906 83 N CB 0.013 38.725 38.487 0.374 0.000 0.968 83 N HN 0.747 nan 8.380 nan 0.000 0.445 84 F N -2.356 117.703 119.950 0.180 0.000 2.685 84 F HA 0.615 5.142 4.527 -0.000 0.000 0.315 84 F C 0.105 176.041 175.800 0.228 0.000 1.126 84 F CA -1.733 56.376 58.000 0.181 0.000 0.950 84 F CB 0.503 39.604 39.000 0.167 0.000 1.360 84 F HN -0.240 nan 8.300 nan 0.000 0.469 85 S N 0.407 116.366 115.700 0.432 0.000 2.614 85 S HA 0.647 5.117 4.470 -0.000 0.000 0.265 85 S C 0.068 174.942 174.600 0.457 0.000 1.303 85 S CA -0.293 58.093 58.200 0.310 0.000 1.000 85 S CB 1.222 64.551 63.200 0.215 0.000 0.935 85 S HN 1.286 nan 8.310 nan 0.000 0.551 86 A N 1.879 124.847 122.820 0.246 0.000 3.004 86 A HA 0.511 4.831 4.320 -0.000 0.000 0.286 86 A C -0.243 177.391 177.584 0.084 0.000 1.632 86 A CA -0.570 51.543 52.037 0.126 0.000 1.339 86 A CB -1.550 17.270 19.000 -0.299 0.000 1.136 86 A HN 0.909 nan 8.150 nan 0.000 0.577 87 D N -0.859 119.766 120.400 0.374 0.000 2.599 87 D HA 0.346 4.986 4.640 -0.000 0.000 0.252 87 D C 0.484 177.016 176.300 0.387 0.000 1.232 87 D CA -0.811 53.387 54.000 0.330 0.000 0.819 87 D CB 0.470 41.376 40.800 0.176 0.000 1.401 87 D HN -0.006 nan 8.370 nan 0.000 0.429 88 L N -0.344 121.058 121.223 0.298 0.000 2.056 88 L HA 0.038 4.378 4.340 -0.000 0.000 0.207 88 L C -0.799 176.178 176.870 0.178 0.000 1.078 88 L CA 1.167 56.123 54.840 0.193 0.000 0.749 88 L CB -1.339 40.794 42.059 0.124 0.000 0.901 88 L HN 0.366 nan 8.230 nan 0.000 0.433 89 P HA -0.188 nan 4.420 nan 0.000 0.215 89 P C 1.529 178.900 177.300 0.118 0.000 1.157 89 P CA 1.848 65.034 63.100 0.144 0.000 0.868 89 P CB 0.010 31.789 31.700 0.132 0.000 0.788 90 A N -0.766 122.140 122.820 0.144 0.000 1.902 90 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 90 A C 2.145 179.673 177.584 -0.094 0.000 1.181 90 A CA 1.500 53.599 52.037 0.103 0.000 0.623 90 A CB -1.685 17.477 19.000 0.270 0.000 0.818 90 A HN 0.156 nan 8.150 nan 0.000 0.443 91 L N -0.013 121.199 121.223 -0.019 0.000 1.989 91 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 91 L C 2.329 179.112 176.870 -0.145 0.000 1.071 91 L CA 1.907 56.635 54.840 -0.188 0.000 0.749 91 L CB -0.561 41.572 42.059 0.123 0.000 0.890 91 L HN 0.414 nan 8.230 nan 0.000 0.431 92 L N -1.540 119.700 121.223 0.028 0.000 2.042 92 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 92 L C 2.445 179.338 176.870 0.038 0.000 1.076 92 L CA 1.275 56.170 54.840 0.092 0.000 0.749 92 L CB -0.759 41.414 42.059 0.190 0.000 0.893 92 L HN 0.169 nan 8.230 nan 0.000 0.432 93 V N -0.700 119.212 119.914 -0.003 0.000 2.358 93 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 93 V C 2.552 178.579 176.094 -0.111 0.000 1.047 93 V CA 2.249 64.532 62.300 -0.029 0.000 1.035 93 V CB -0.648 31.172 31.823 -0.004 0.000 0.658 93 V HN 0.470 nan 8.190 nan 0.000 0.452 94 T N 0.250 114.661 114.554 -0.239 0.000 2.708 94 T HA -0.182 4.167 4.350 -0.000 0.000 0.266 94 T C 1.951 176.353 174.700 -0.498 0.000 1.037 94 T CA 2.232 64.099 62.100 -0.387 0.000 1.146 94 T CB -0.399 68.022 68.868 -0.745 0.000 0.865 94 T HN 0.751 nan 8.240 nan 0.000 0.435 95 T N -1.698 112.597 114.554 -0.431 0.000 3.067 95 T HA 0.148 4.498 4.350 -0.000 0.000 0.257 95 T C 0.770 175.591 174.700 0.201 0.000 1.105 95 T CA 0.249 62.170 62.100 -0.299 0.000 1.104 95 T CB -0.121 68.636 68.868 -0.185 0.000 0.925 95 T HN 0.260 nan 8.240 nan 0.000 0.498 96 F N 0.553 120.472 119.950 -0.051 0.000 2.779 96 F HA 0.562 5.089 4.527 -0.000 0.000 0.345 96 F C 1.386 177.179 175.800 -0.013 0.000 1.270 96 F CA -1.250 56.767 58.000 0.029 0.000 1.074 96 F CB 0.176 39.205 39.000 0.048 0.000 1.268 96 F HN 0.119 nan 8.300 nan 0.000 0.508 97 G N 0.966 109.718 108.800 -0.080 0.000 2.605 97 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 97 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 97 G C 1.569 176.360 174.900 -0.183 0.000 1.279 97 G CA 0.612 45.644 45.100 -0.112 0.000 0.831 97 G HN 0.268 nan 8.290 nan 0.000 0.560 98 K N -0.499 119.816 120.400 -0.141 0.000 2.103 98 K HA 0.107 4.427 4.320 -0.000 0.000 0.204 98 K C 2.385 178.861 176.600 -0.207 0.000 1.052 98 K CA 0.248 56.452 56.287 -0.139 0.000 0.945 98 K CB -0.259 32.193 32.500 -0.079 0.000 0.722 98 K HN 0.136 nan 8.250 nan 0.000 0.443 99 L N 1.670 122.750 121.223 -0.238 0.000 2.129 99 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 99 L C 2.150 178.712 176.870 -0.514 0.000 1.087 99 L CA 1.834 56.505 54.840 -0.282 0.000 0.757 99 L CB -0.747 41.213 42.059 -0.165 0.000 0.896 99 L HN 0.185 nan 8.230 nan 0.000 0.434 100 S N -2.005 113.145 115.700 -0.916 0.000 2.474 100 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 100 S C 1.659 176.032 174.600 -0.377 0.000 0.997 100 S CA 0.888 58.486 58.200 -1.003 0.000 0.949 100 S CB -0.485 62.099 63.200 -1.026 0.000 0.766 100 S HN 0.499 nan 8.310 nan 0.000 0.517 101 L N 0.682 121.739 121.223 -0.277 0.000 2.640 101 L HA 0.318 4.658 4.340 -0.000 0.000 0.230 101 L C 1.801 178.602 176.870 -0.114 0.000 1.123 101 L CA 0.202 54.944 54.840 -0.163 0.000 0.900 101 L CB -0.154 41.825 42.059 -0.134 0.000 1.146 101 L HN 0.235 nan 8.230 nan 0.000 0.484 102 D N 0.782 121.114 120.400 -0.115 0.000 2.363 102 D HA 0.091 4.731 4.640 -0.000 0.000 0.226 102 D C 1.107 177.394 176.300 -0.021 0.000 1.020 102 D CA 0.963 54.923 54.000 -0.067 0.000 0.892 102 D CB 0.530 41.283 40.800 -0.079 0.000 0.900 102 D HN 0.401 nan 8.370 nan 0.000 0.531 103 G N 1.067 109.877 108.800 0.017 0.000 2.545 103 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.211 103 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.211 103 G C -0.798 174.262 174.900 0.267 0.000 1.167 103 G CA -0.654 44.497 45.100 0.084 0.000 1.151 103 G HN 0.205 nan 8.290 nan 0.000 0.581 104 E N 0.772 121.079 120.200 0.178 0.000 1.932 104 E HA 0.541 4.891 4.350 -0.000 0.000 0.259 104 E C -0.340 176.375 176.600 0.192 0.000 1.099 104 E CA 0.050 56.551 56.400 0.168 0.000 0.970 104 E CB 1.149 30.789 29.700 -0.101 0.000 1.143 104 E HN 0.680 nan 8.360 nan 0.000 0.441 105 V N 2.706 122.791 119.914 0.284 0.000 2.569 105 V HA 0.446 4.566 4.120 -0.000 0.000 0.301 105 V C -0.292 176.072 176.094 0.451 0.000 1.044 105 V CA -0.971 61.513 62.300 0.305 0.000 0.874 105 V CB 1.938 33.901 31.823 0.233 0.000 1.002 105 V HN 0.401 nan 8.190 nan 0.000 0.424 106 R N 3.734 124.423 120.500 0.315 0.000 2.494 106 R HA 0.670 5.009 4.340 -0.000 0.000 0.305 106 R C -1.254 175.033 176.300 -0.022 0.000 0.959 106 R CA -0.864 55.320 56.100 0.140 0.000 0.864 106 R CB 1.673 32.010 30.300 0.061 0.000 1.159 106 R HN 0.632 nan 8.270 nan 0.000 0.446 107 L N 5.664 126.592 121.223 -0.492 0.000 2.315 107 L HA 0.151 4.491 4.340 -0.000 0.000 0.283 107 L C -0.266 176.389 176.870 -0.359 0.000 1.089 107 L CA 0.133 54.638 54.840 -0.559 0.000 0.833 107 L CB 1.000 42.431 42.059 -1.047 0.000 1.170 107 L HN 0.802 nan 8.230 nan 0.000 0.442 108 L N 3.365 124.422 121.223 -0.276 0.000 2.316 108 L HA 0.399 4.739 4.340 -0.000 0.000 0.207 108 L C 0.294 177.056 176.870 -0.180 0.000 1.070 108 L CA 0.734 55.461 54.840 -0.188 0.000 0.820 108 L CB -0.631 41.348 42.059 -0.133 0.000 0.992 108 L HN 0.791 nan 8.230 nan 0.000 0.466 109 D N -2.179 118.082 120.400 -0.233 0.000 2.694 109 D HA 0.495 5.135 4.640 -0.000 0.000 0.260 109 D C -1.582 174.566 176.300 -0.253 0.000 1.250 109 D CA -0.359 53.523 54.000 -0.198 0.000 0.763 109 D CB 1.201 41.902 40.800 -0.165 0.000 1.311 109 D HN -0.187 nan 8.370 nan 0.000 0.420 110 L N 1.117 122.178 121.223 -0.270 0.000 2.422 110 L HA 0.566 4.906 4.340 -0.000 0.000 0.264 110 L C -0.621 175.827 176.870 -0.704 0.000 0.984 110 L CA -0.720 53.881 54.840 -0.398 0.000 0.819 110 L CB 2.308 44.211 42.059 -0.260 0.000 1.330 110 L HN 0.314 nan 8.230 nan 0.000 0.410 111 E N 2.414 122.207 120.200 -0.678 0.000 2.224 111 E HA 0.555 4.905 4.350 -0.000 0.000 0.265 111 E C -1.685 174.570 176.600 -0.575 0.000 0.878 111 E CA -0.586 55.437 56.400 -0.629 0.000 0.759 111 E CB 2.311 31.841 29.700 -0.282 0.000 1.164 111 E HN 0.197 nan 8.360 nan 0.000 0.414 112 F N 2.637 122.614 119.950 0.045 0.000 2.508 112 F HA 0.412 4.939 4.527 -0.000 0.000 0.325 112 F C -1.973 173.899 175.800 0.121 0.000 1.090 112 F CA -2.987 55.057 58.000 0.074 0.000 0.945 112 F CB 0.556 39.732 39.000 0.293 0.000 1.156 112 F HN 0.211 nan 8.300 nan 0.000 0.463 113 P HA 0.039 nan 4.420 nan 0.000 0.269 113 P C 0.044 177.525 177.300 0.302 0.000 1.215 113 P CA -0.053 63.179 63.100 0.221 0.000 0.780 113 P CB 1.241 33.043 31.700 0.171 0.000 0.898 114 D N 1.926 122.442 120.400 0.193 0.000 2.123 114 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 114 D C 1.454 177.859 176.300 0.175 0.000 0.992 114 D CA 1.653 55.749 54.000 0.160 0.000 0.833 114 D CB -0.110 40.735 40.800 0.075 0.000 0.954 114 D HN 0.483 nan 8.370 nan 0.000 0.455 115 E N 0.069 120.370 120.200 0.168 0.000 2.153 115 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 115 E C 1.716 178.435 176.600 0.199 0.000 0.988 115 E CA 0.552 57.038 56.400 0.143 0.000 0.811 115 E CB -0.395 29.375 29.700 0.116 0.000 0.746 115 E HN 0.435 nan 8.360 nan 0.000 0.466 116 W N 1.739 123.112 121.300 0.121 0.000 2.408 116 W HA -0.053 4.607 4.660 -0.000 0.000 0.311 116 W C 2.192 178.875 176.519 0.272 0.000 1.190 116 W CA 1.534 58.982 57.345 0.172 0.000 1.321 116 W CB -0.070 29.510 29.460 0.200 0.000 1.143 116 W HN -0.082 nan 8.180 nan 0.000 0.501 117 K N 0.468 121.205 120.400 0.563 0.000 2.152 117 K HA -0.211 4.109 4.320 -0.000 0.000 0.206 117 K C 1.895 178.723 176.600 0.381 0.000 1.048 117 K CA 1.467 58.058 56.287 0.508 0.000 0.933 117 K CB -0.264 32.513 32.500 0.461 0.000 0.721 117 K HN 0.089 nan 8.250 nan 0.000 0.447 118 R N 0.306 120.922 120.500 0.192 0.000 2.357 118 R HA -0.047 4.293 4.340 -0.000 0.000 0.202 118 R C 1.410 177.710 176.300 0.001 0.000 1.047 118 R CA 0.619 56.776 56.100 0.096 0.000 1.034 118 R CB 0.104 30.427 30.300 0.038 0.000 0.875 118 R HN 0.372 nan 8.270 nan 0.000 0.473 119 Q N -0.711 119.018 119.800 -0.119 0.000 2.319 119 Q HA 0.108 4.448 4.340 -0.000 0.000 0.202 119 Q C -0.596 174.915 176.000 -0.815 0.000 0.896 119 Q CA 0.265 55.777 55.803 -0.485 0.000 0.942 119 Q CB 0.577 28.873 28.738 -0.736 0.000 1.083 119 Q HN 0.138 nan 8.270 nan 0.000 0.510 120 F N 0.803 120.677 119.950 -0.127 0.000 2.492 120 F HA 0.262 4.789 4.527 -0.000 0.000 0.327 120 F C -1.380 174.381 175.800 -0.066 0.000 1.079 120 F CA -2.426 55.484 58.000 -0.150 0.000 0.967 120 F CB 1.074 39.942 39.000 -0.220 0.000 1.169 120 F HN -0.180 nan 8.300 nan 0.000 0.472 121 P HA 0.073 nan 4.420 nan 0.000 0.216 121 P C 0.533 177.766 177.300 -0.111 0.000 1.153 121 P CA 1.423 64.487 63.100 -0.061 0.000 0.844 121 P CB 0.302 31.940 31.700 -0.103 0.000 0.787 122 G N 0.516 109.064 108.800 -0.421 0.000 2.828 122 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.463 122 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.463 122 G C -2.969 171.812 174.900 -0.198 0.000 1.394 122 G CA -0.574 44.197 45.100 -0.548 0.000 0.862 122 G HN 0.148 nan 8.290 nan 0.000 0.540 123 P HA 0.239 nan 4.420 nan 0.000 0.270 123 P C 0.875 178.110 177.300 -0.108 0.000 1.223 123 P CA -0.106 62.949 63.100 -0.076 0.000 0.785 123 P CB 0.638 32.315 31.700 -0.038 0.000 0.923 124 R N 1.087 121.486 120.500 -0.169 0.000 2.090 124 R HA 0.063 4.403 4.340 -0.000 0.000 0.219 124 R C 1.060 177.018 176.300 -0.570 0.000 1.100 124 R CA 1.402 57.252 56.100 -0.416 0.000 0.991 124 R CB -0.123 29.811 30.300 -0.611 0.000 0.893 124 R HN 0.405 nan 8.270 nan 0.000 0.443 125 F N -0.545 119.373 119.950 -0.053 0.000 2.490 125 F HA 0.378 4.905 4.527 -0.000 0.000 0.280 125 F C 1.417 177.158 175.800 -0.098 0.000 1.030 125 F CA 0.625 58.587 58.000 -0.063 0.000 1.367 125 F CB -0.428 38.534 39.000 -0.063 0.000 1.131 125 F HN 0.262 nan 8.300 nan 0.000 0.632 126 G N 1.440 110.271 108.800 0.052 0.000 2.697 126 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.240 126 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.240 126 G C 0.827 175.617 174.900 -0.183 0.000 1.346 126 G CA -0.047 45.002 45.100 -0.084 0.000 0.887 126 G HN 0.239 nan 8.290 nan 0.000 0.569 127 I N 0.380 120.737 120.570 -0.355 0.000 2.127 127 I HA -0.192 3.978 4.170 -0.000 0.000 0.241 127 I C 2.536 178.475 176.117 -0.297 0.000 1.075 127 I CA 2.218 63.127 61.300 -0.653 0.000 1.334 127 I CB -0.477 37.054 38.000 -0.783 0.000 1.040 127 I HN 0.555 nan 8.210 nan 0.000 0.405 128 D N 1.012 121.318 120.400 -0.156 0.000 2.123 128 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 128 D C 2.174 178.482 176.300 0.014 0.000 0.992 128 D CA 1.651 55.625 54.000 -0.044 0.000 0.833 128 D CB -0.754 40.046 40.800 -0.000 0.000 0.954 128 D HN 0.436 nan 8.370 nan 0.000 0.455 129 G N 1.115 109.947 108.800 0.053 0.000 2.418 129 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 129 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 129 G C 1.582 176.527 174.900 0.074 0.000 1.158 129 G CA 0.309 45.505 45.100 0.161 0.000 0.771 129 G HN 0.160 nan 8.290 nan 0.000 0.545 130 I N 0.646 121.230 120.570 0.024 0.000 2.286 130 I HA -0.024 4.146 4.170 -0.000 0.000 0.245 130 I C 2.762 178.903 176.117 0.041 0.000 1.104 130 I CA 0.842 62.154 61.300 0.020 0.000 1.397 130 I CB -1.049 37.003 38.000 0.087 0.000 1.072 130 I HN 0.164 nan 8.210 nan 0.000 0.417 131 R N 0.647 121.160 120.500 0.021 0.000 2.120 131 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 131 R C 1.777 177.920 176.300 -0.262 0.000 1.123 131 R CA 1.456 57.458 56.100 -0.164 0.000 0.975 131 R CB -0.169 29.940 30.300 -0.318 0.000 0.866 131 R HN 0.393 nan 8.270 nan 0.000 0.446 132 D N -0.070 120.291 120.400 -0.066 0.000 2.149 132 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 132 D C 1.824 178.151 176.300 0.044 0.000 0.972 132 D CA 1.065 55.114 54.000 0.081 0.000 0.835 132 D CB -0.064 40.818 40.800 0.136 0.000 0.966 132 D HN 0.138 nan 8.370 nan 0.000 0.476 133 R N 0.229 120.727 120.500 -0.005 0.000 2.148 133 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 133 R C 2.090 178.374 176.300 -0.027 0.000 1.103 133 R CA 0.799 56.878 56.100 -0.034 0.000 0.983 133 R CB 0.071 30.304 30.300 -0.110 0.000 0.874 133 R HN 0.239 nan 8.270 nan 0.000 0.451 134 V N -3.556 116.346 119.914 -0.019 0.000 3.644 134 V HA 0.396 4.516 4.120 -0.000 0.000 0.267 134 V C 0.954 177.054 176.094 0.010 0.000 1.277 134 V CA 0.421 62.714 62.300 -0.012 0.000 1.096 134 V CB 0.170 31.986 31.823 -0.012 0.000 0.828 134 V HN 0.309 nan 8.190 nan 0.000 0.446 135 G N 0.670 109.484 108.800 0.024 0.000 2.333 135 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.296 135 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.296 135 G C -0.234 174.731 174.900 0.108 0.000 1.059 135 G CA 0.343 45.509 45.100 0.111 0.000 1.050 135 G HN 1.229 nan 8.290 nan 0.000 0.508 136 V N -0.127 119.776 119.914 -0.017 0.000 2.509 136 V HA 0.456 4.576 4.120 -0.000 0.000 0.289 136 V C 0.325 176.368 176.094 -0.084 0.000 1.026 136 V CA -0.670 61.648 62.300 0.031 0.000 0.872 136 V CB 1.524 33.355 31.823 0.013 0.000 1.017 136 V HN 0.480 nan 8.190 nan 0.000 0.436 137 H N 1.713 120.823 119.070 0.066 0.000 2.874 137 H HA 0.266 4.822 4.556 -0.000 0.000 0.264 137 H C 0.891 176.259 175.328 0.066 0.000 1.007 137 H CA 0.240 56.329 56.048 0.067 0.000 1.207 137 H CB 0.448 30.239 29.762 0.049 0.000 1.487 137 H HN 0.607 nan 8.280 nan 0.000 0.505 138 N N 0.644 119.440 118.700 0.161 0.000 2.351 138 N HA 0.157 4.897 4.740 -0.000 0.000 0.254 138 N C -0.616 174.951 175.510 0.094 0.000 1.241 138 N CA -0.314 52.807 53.050 0.117 0.000 0.883 138 N CB 0.979 39.524 38.487 0.098 0.000 1.202 138 N HN 0.249 nan 8.380 nan 0.000 0.512 139 R N -1.190 119.367 120.500 0.095 0.000 2.692 139 R HA 0.526 4.866 4.340 -0.000 0.000 0.269 139 R C -3.304 173.051 176.300 0.091 0.000 1.030 139 R CA -1.567 54.583 56.100 0.084 0.000 0.882 139 R CB 0.947 31.287 30.300 0.065 0.000 1.250 139 R HN -0.219 nan 8.270 nan 0.000 0.465 140 P HA 0.078 nan 4.420 nan 0.000 0.272 140 P C -0.343 176.965 177.300 0.013 0.000 1.230 140 P CA -0.313 62.837 63.100 0.084 0.000 0.788 140 P CB 0.771 32.517 31.700 0.077 0.000 0.949 141 L N 0.756 121.940 121.223 -0.065 0.000 2.468 141 L HA 0.405 4.745 4.340 -0.000 0.000 0.254 141 L C 0.575 177.351 176.870 -0.158 0.000 1.171 141 L CA -0.851 53.912 54.840 -0.128 0.000 0.809 141 L CB 0.223 42.139 42.059 -0.239 0.000 1.155 141 L HN 0.269 nan 8.230 nan 0.000 0.473 142 L N 2.185 123.309 121.223 -0.165 0.000 2.362 142 L HA 0.621 4.961 4.340 -0.000 0.000 0.275 142 L C -0.737 175.984 176.870 -0.248 0.000 0.998 142 L CA -0.145 54.561 54.840 -0.223 0.000 0.820 142 L CB 1.618 43.574 42.059 -0.171 0.000 1.270 142 L HN 0.623 nan 8.230 nan 0.000 0.415 143 M N 4.189 123.602 119.600 -0.312 0.000 2.386 143 M HA 0.703 5.183 4.480 -0.000 0.000 0.293 143 M C -1.264 174.868 176.300 -0.281 0.000 1.120 143 M CA -0.262 54.875 55.300 -0.272 0.000 0.909 143 M CB 2.163 34.598 32.600 -0.275 0.000 1.661 143 M HN 0.781 nan 8.290 nan 0.000 0.452 144 S N 4.382 119.955 115.700 -0.213 0.000 2.568 144 S HA 0.771 5.240 4.470 -0.000 0.000 0.302 144 S C -0.691 173.870 174.600 -0.064 0.000 1.082 144 S CA -0.857 57.240 58.200 -0.172 0.000 1.009 144 S CB 1.415 64.494 63.200 -0.202 0.000 1.069 144 S HN 0.714 nan 8.310 nan 0.000 0.500 145 I N 1.816 122.403 120.570 0.028 0.000 2.336 145 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 145 I C -0.368 175.912 176.117 0.271 0.000 0.991 145 I CA -0.640 60.736 61.300 0.126 0.000 1.227 145 I CB 0.973 39.037 38.000 0.106 0.000 1.366 145 I HN 0.709 nan 8.210 nan 0.000 0.466 146 F N 6.978 127.002 119.950 0.124 0.000 2.650 146 F HA 0.045 4.572 4.527 -0.000 0.000 0.338 146 F C 0.860 176.655 175.800 -0.008 0.000 1.311 146 F CA -0.293 57.762 58.000 0.092 0.000 1.106 146 F CB -0.073 38.976 39.000 0.083 0.000 1.500 146 F HN 0.419 nan 8.300 nan 0.000 0.670 147 K N 2.101 122.559 120.400 0.098 0.000 2.168 147 K HA 0.244 4.564 4.320 -0.000 0.000 0.258 147 K C 0.845 177.437 176.600 -0.013 0.000 1.010 147 K CA 0.338 56.615 56.287 -0.018 0.000 0.929 147 K CB 0.892 33.335 32.500 -0.095 0.000 0.998 147 K HN 0.700 nan 8.250 nan 0.000 0.479 148 G N 1.748 110.543 108.800 -0.008 0.000 2.305 148 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.287 148 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.287 148 G C 0.514 175.379 174.900 -0.059 0.000 1.036 148 G CA 0.213 45.303 45.100 -0.017 0.000 0.887 148 G HN 0.388 nan 8.290 nan 0.000 0.505 149 M N -0.522 119.026 119.600 -0.087 0.000 2.441 149 M HA 0.328 4.808 4.480 -0.000 0.000 0.244 149 M C 1.558 177.755 176.300 -0.172 0.000 1.122 149 M CA -0.120 55.074 55.300 -0.177 0.000 1.041 149 M CB -0.083 32.350 32.600 -0.279 0.000 1.438 149 M HN 0.349 nan 8.290 nan 0.000 0.484 150 I N 1.001 121.501 120.570 -0.117 0.000 2.587 150 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 150 I C 1.366 177.420 176.117 -0.105 0.000 1.134 150 I CA 0.544 61.794 61.300 -0.083 0.000 1.410 150 I CB 0.095 38.072 38.000 -0.039 0.000 1.392 150 I HN 0.616 nan 8.210 nan 0.000 0.545 151 G N 5.019 113.762 108.800 -0.095 0.000 2.194 151 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.236 151 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.236 151 G C 0.408 175.218 174.900 -0.150 0.000 0.987 151 G CA -0.521 44.519 45.100 -0.100 0.000 0.635 151 G HN 0.467 nan 8.290 nan 0.000 0.520 152 R N 1.279 121.649 120.500 -0.217 0.000 2.553 152 R HA 0.605 4.945 4.340 -0.000 0.000 0.263 152 R C 0.133 176.351 176.300 -0.137 0.000 1.066 152 R CA -0.158 55.767 56.100 -0.292 0.000 1.135 152 R CB 0.631 30.580 30.300 -0.586 0.000 1.148 152 R HN 0.588 nan 8.270 nan 0.000 0.558 153 D N -0.390 119.970 120.400 -0.067 0.000 2.467 153 D HA 0.145 4.785 4.640 -0.000 0.000 0.245 153 D C 1.290 177.620 176.300 0.050 0.000 1.038 153 D CA -0.755 53.244 54.000 -0.001 0.000 1.038 153 D CB 0.814 41.621 40.800 0.012 0.000 1.278 153 D HN 0.255 nan 8.370 nan 0.000 0.564 154 L N 0.310 121.558 121.223 0.040 0.000 2.051 154 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 154 L C 2.587 179.501 176.870 0.074 0.000 1.076 154 L CA 2.214 57.083 54.840 0.049 0.000 0.758 154 L CB -0.661 41.420 42.059 0.037 0.000 0.890 154 L HN 0.616 nan 8.230 nan 0.000 0.433 155 A N -1.381 121.487 122.820 0.080 0.000 2.070 155 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 155 A C 2.111 179.766 177.584 0.117 0.000 1.159 155 A CA 1.501 53.587 52.037 0.081 0.000 0.656 155 A CB -0.683 18.360 19.000 0.071 0.000 0.800 155 A HN 0.559 nan 8.150 nan 0.000 0.453 156 Y N -0.813 119.494 120.300 0.012 0.000 2.397 156 Y HA 0.056 4.606 4.550 -0.000 0.000 0.292 156 Y C 1.968 177.899 175.900 0.051 0.000 1.115 156 Y CA 0.753 58.868 58.100 0.024 0.000 1.208 156 Y CB 0.058 38.523 38.460 0.008 0.000 1.046 156 Y HN 0.218 nan 8.280 nan 0.000 0.552 157 L N 0.110 121.477 121.223 0.239 0.000 1.970 157 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 157 L C 1.911 178.903 176.870 0.203 0.000 1.071 157 L CA 2.711 57.660 54.840 0.182 0.000 0.751 157 L CB -1.408 40.679 42.059 0.046 0.000 0.889 157 L HN 0.287 nan 8.230 nan 0.000 0.432 158 T N 1.912 116.521 114.554 0.092 0.000 2.570 158 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 158 T C -0.473 174.229 174.700 0.003 0.000 1.071 158 T CA 2.404 64.528 62.100 0.039 0.000 1.172 158 T CB -1.339 67.539 68.868 0.017 0.000 0.864 158 T HN 0.436 nan 8.240 nan 0.000 0.421 159 P HA -0.072 nan 4.420 nan 0.000 0.218 159 P C 1.289 178.541 177.300 -0.079 0.000 1.149 159 P CA 1.283 64.344 63.100 -0.065 0.000 0.817 159 P CB 0.075 31.720 31.700 -0.093 0.000 0.785 160 E N -0.073 120.090 120.200 -0.062 0.000 2.106 160 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 160 E C 1.916 178.430 176.600 -0.142 0.000 0.984 160 E CA 0.535 56.919 56.400 -0.027 0.000 0.806 160 E CB -1.171 28.634 29.700 0.176 0.000 0.750 160 E HN 0.059 nan 8.360 nan 0.000 0.458 161 L N 0.695 121.848 121.223 -0.115 0.000 2.056 161 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 161 L C 1.856 178.578 176.870 -0.246 0.000 1.078 161 L CA 1.799 56.427 54.840 -0.353 0.000 0.749 161 L CB -0.288 41.672 42.059 -0.165 0.000 0.901 161 L HN -0.028 nan 8.230 nan 0.000 0.433 162 K N -0.468 119.850 120.400 -0.138 0.000 2.057 162 K HA -0.226 4.093 4.320 -0.000 0.000 0.207 162 K C 2.195 178.730 176.600 -0.107 0.000 1.049 162 K CA 1.585 57.809 56.287 -0.105 0.000 0.931 162 K CB -0.187 32.272 32.500 -0.068 0.000 0.714 162 K HN 0.250 nan 8.250 nan 0.000 0.440 163 K N 1.386 121.723 120.400 -0.105 0.000 2.074 163 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 163 K C 2.076 178.608 176.600 -0.114 0.000 1.048 163 K CA 1.716 57.950 56.287 -0.089 0.000 0.926 163 K CB 0.075 32.537 32.500 -0.063 0.000 0.713 163 K HN 0.183 nan 8.250 nan 0.000 0.444 164 Q N -0.501 119.198 119.800 -0.168 0.000 2.079 164 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 164 Q C 2.124 178.029 176.000 -0.160 0.000 0.974 164 Q CA 1.296 56.980 55.803 -0.198 0.000 0.840 164 Q CB -0.103 28.465 28.738 -0.283 0.000 0.898 164 Q HN 0.394 nan 8.270 nan 0.000 0.430 165 A N 1.142 123.872 122.820 -0.151 0.000 1.877 165 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 165 A C 2.026 179.565 177.584 -0.076 0.000 1.186 165 A CA 1.108 53.081 52.037 -0.107 0.000 0.620 165 A CB -0.762 18.183 19.000 -0.092 0.000 0.822 165 A HN 0.311 nan 8.150 nan 0.000 0.443 166 L N -0.366 120.813 121.223 -0.073 0.000 2.447 166 L HA -0.122 4.218 4.340 -0.000 0.000 0.225 166 L C 2.340 179.177 176.870 -0.055 0.000 1.148 166 L CA 0.607 55.413 54.840 -0.057 0.000 0.808 166 L CB -0.397 41.629 42.059 -0.055 0.000 0.928 166 L HN 0.508 nan 8.230 nan 0.000 0.448 167 G N -1.370 107.390 108.800 -0.066 0.000 2.985 167 G HA2 0.250 4.210 3.960 -0.000 0.000 0.209 167 G HA3 0.250 4.210 3.960 -0.000 0.000 0.209 167 G C 1.249 176.127 174.900 -0.038 0.000 1.165 167 G CA 0.479 45.545 45.100 -0.056 0.000 0.776 167 G HN 0.473 nan 8.290 nan 0.000 0.541 168 G N -0.863 107.913 108.800 -0.041 0.000 2.157 168 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.239 168 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.239 168 G C 0.530 175.407 174.900 -0.039 0.000 0.982 168 G CA 0.390 45.474 45.100 -0.027 0.000 0.650 168 G HN 1.427 nan 8.290 nan 0.000 0.527 169 V N -1.809 118.064 119.914 -0.068 0.000 2.963 169 V HA 0.509 4.629 4.120 -0.000 0.000 0.306 169 V C 1.127 177.169 176.094 -0.086 0.000 1.077 169 V CA 0.605 62.845 62.300 -0.099 0.000 1.124 169 V CB 1.198 32.934 31.823 -0.144 0.000 0.987 169 V HN 0.106 nan 8.190 nan 0.000 0.487 170 D N 2.150 122.491 120.400 -0.097 0.000 2.271 170 D HA 0.219 4.859 4.640 -0.000 0.000 0.206 170 D C 0.157 176.402 176.300 -0.091 0.000 0.967 170 D CA 1.085 55.037 54.000 -0.080 0.000 0.867 170 D CB 0.460 41.210 40.800 -0.084 0.000 0.960 170 D HN 0.493 nan 8.370 nan 0.000 0.509 171 L N -0.200 120.948 121.223 -0.124 0.000 2.465 171 L HA 0.386 4.726 4.340 -0.000 0.000 0.257 171 L C -0.992 175.806 176.870 -0.121 0.000 0.988 171 L CA -0.816 53.951 54.840 -0.121 0.000 0.827 171 L CB 3.109 45.058 42.059 -0.182 0.000 1.397 171 L HN -0.387 nan 8.230 nan 0.000 0.410 172 V N 1.368 121.247 119.914 -0.058 0.000 2.531 172 V HA 0.569 4.689 4.120 -0.000 0.000 0.301 172 V C -0.621 175.549 176.094 0.127 0.000 1.034 172 V CA -0.799 61.477 62.300 -0.040 0.000 0.865 172 V CB 1.877 33.610 31.823 -0.150 0.000 0.995 172 V HN 0.785 nan 8.190 nan 0.000 0.424 173 K N 1.920 122.387 120.400 0.113 0.000 2.259 173 K HA 0.668 4.988 4.320 -0.000 0.000 0.249 173 K C -0.955 175.818 176.600 0.287 0.000 0.942 173 K CA -0.896 55.486 56.287 0.158 0.000 0.816 173 K CB 2.113 34.619 32.500 0.010 0.000 1.155 173 K HN 0.416 nan 8.250 nan 0.000 0.428 174 D N 1.319 121.882 120.400 0.271 0.000 2.363 174 D HA -0.017 4.622 4.640 -0.000 0.000 0.240 174 D C -0.456 175.913 176.300 0.115 0.000 1.236 174 D CA 0.278 54.413 54.000 0.225 0.000 0.927 174 D CB 0.691 41.542 40.800 0.086 0.000 1.150 174 D HN 0.549 nan 8.370 nan 0.000 0.458 175 D N -0.074 120.356 120.400 0.051 0.000 2.341 175 D HA -0.008 4.632 4.640 -0.000 0.000 0.245 175 D C 0.723 176.956 176.300 -0.111 0.000 1.106 175 D CA -0.070 53.929 54.000 -0.002 0.000 0.905 175 D CB 0.805 41.591 40.800 -0.023 0.000 1.202 175 D HN 0.230 nan 8.370 nan 0.000 0.426 176 E N 1.895 121.996 120.200 -0.166 0.000 2.160 176 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 176 E C 1.397 177.763 176.600 -0.391 0.000 0.991 176 E CA 0.973 57.173 56.400 -0.334 0.000 0.810 176 E CB -0.377 28.952 29.700 -0.617 0.000 0.742 176 E HN 0.625 nan 8.360 nan 0.000 0.466 177 I N -0.858 119.531 120.570 -0.301 0.000 3.864 177 I HA 0.249 4.419 4.170 -0.000 0.000 0.326 177 I C -0.063 175.787 176.117 -0.446 0.000 1.444 177 I CA -0.674 60.429 61.300 -0.328 0.000 1.195 177 I CB 0.106 38.105 38.000 -0.002 0.000 1.124 177 I HN -0.057 nan 8.210 nan 0.000 0.407 178 L N 2.052 122.953 121.223 -0.536 0.000 2.255 178 L HA 0.570 4.910 4.340 -0.000 0.000 0.289 178 L C -0.989 175.577 176.870 -0.507 0.000 1.046 178 L CA 0.100 54.734 54.840 -0.342 0.000 0.816 178 L CB 0.391 42.331 42.059 -0.198 0.000 1.197 178 L HN 0.024 nan 8.230 nan 0.000 0.427 179 F N 1.541 121.484 119.950 -0.012 0.000 2.497 179 F HA 0.422 4.949 4.527 -0.000 0.000 0.331 179 F C 0.622 176.425 175.800 0.005 0.000 1.060 179 F CA -0.815 57.180 58.000 -0.008 0.000 0.989 179 F CB 0.652 39.641 39.000 -0.019 0.000 1.245 179 F HN 0.389 nan 8.300 nan 0.000 0.486 180 D N 0.653 121.180 120.400 0.211 0.000 2.472 180 D HA 0.374 5.014 4.640 -0.000 0.000 0.237 180 D C -0.314 176.055 176.300 0.115 0.000 1.141 180 D CA 0.696 54.780 54.000 0.139 0.000 0.875 180 D CB 0.588 41.450 40.800 0.104 0.000 1.192 180 D HN 0.586 nan 8.370 nan 0.000 0.450 181 S N 0.632 116.384 115.700 0.087 0.000 2.672 181 S HA 0.300 4.770 4.470 -0.000 0.000 0.271 181 S C 0.528 175.156 174.600 0.047 0.000 1.171 181 S CA -0.854 57.382 58.200 0.059 0.000 0.817 181 S CB 1.433 64.662 63.200 0.050 0.000 1.150 181 S HN 0.245 nan 8.310 nan 0.000 0.478 182 E N 0.542 120.761 120.200 0.032 0.000 2.072 182 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 182 E C 1.948 178.562 176.600 0.023 0.000 0.982 182 E CA 0.942 57.358 56.400 0.026 0.000 0.803 182 E CB -0.539 29.172 29.700 0.018 0.000 0.755 182 E HN 0.582 nan 8.360 nan 0.000 0.453 183 L N 0.520 121.752 121.223 0.015 0.000 2.013 183 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 183 L C 1.467 178.345 176.870 0.013 0.000 1.073 183 L CA 1.021 55.865 54.840 0.006 0.000 0.753 183 L CB -0.293 41.760 42.059 -0.010 0.000 0.890 183 L HN 0.135 nan 8.230 nan 0.000 0.432 184 L N -3.638 117.597 121.223 0.021 0.000 2.563 184 L HA 0.545 4.885 4.340 -0.000 0.000 0.259 184 L C -2.909 173.998 176.870 0.061 0.000 1.034 184 L CA -1.847 53.010 54.840 0.030 0.000 0.899 184 L CB 0.914 42.977 42.059 0.006 0.000 1.159 184 L HN -0.262 nan 8.230 nan 0.000 0.456 185 P HA 0.107 nan 4.420 nan 0.000 0.270 185 P C 0.411 177.803 177.300 0.152 0.000 1.223 185 P CA -0.230 62.935 63.100 0.108 0.000 0.785 185 P CB 0.655 32.404 31.700 0.083 0.000 0.923 186 F N 1.946 121.907 119.950 0.018 0.000 2.075 186 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 186 F C 1.855 177.660 175.800 0.009 0.000 1.113 186 F CA 1.849 59.854 58.000 0.008 0.000 1.218 186 F CB -0.558 38.446 39.000 0.006 0.000 0.984 186 F HN 0.380 nan 8.300 nan 0.000 0.472 187 E N -0.169 120.016 120.200 -0.025 0.000 2.153 187 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 187 E C 2.159 178.697 176.600 -0.104 0.000 0.988 187 E CA 1.176 57.491 56.400 -0.141 0.000 0.811 187 E CB -0.169 29.524 29.700 -0.013 0.000 0.746 187 E HN 0.450 nan 8.360 nan 0.000 0.466 188 K N 0.459 120.840 120.400 -0.031 0.000 2.167 188 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 188 K C 2.192 178.792 176.600 -0.000 0.000 1.052 188 K CA 0.383 56.665 56.287 -0.008 0.000 0.956 188 K CB 0.044 32.554 32.500 0.017 0.000 0.735 188 K HN -0.077 nan 8.250 nan 0.000 0.451 189 R N 0.928 121.428 120.500 0.000 0.000 2.081 189 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 189 R C 2.141 178.504 176.300 0.105 0.000 1.131 189 R CA 1.196 57.336 56.100 0.068 0.000 0.960 189 R CB -0.111 30.236 30.300 0.079 0.000 0.856 189 R HN 0.132 nan 8.270 nan 0.000 0.436 190 I N -0.576 119.944 120.570 -0.085 0.000 2.163 190 I HA -0.271 3.899 4.170 -0.000 0.000 0.240 190 I C 2.127 178.238 176.117 -0.010 0.000 1.081 190 I CA 1.473 62.707 61.300 -0.109 0.000 1.353 190 I CB -0.379 37.414 38.000 -0.346 0.000 1.054 190 I HN 0.223 nan 8.210 nan 0.000 0.407 191 T N 0.214 114.746 114.554 -0.038 0.000 2.708 191 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 191 T C 1.730 176.439 174.700 0.014 0.000 1.037 191 T CA 1.411 63.503 62.100 -0.014 0.000 1.146 191 T CB -0.178 68.677 68.868 -0.021 0.000 0.865 191 T HN 0.389 nan 8.240 nan 0.000 0.435 192 E N 0.096 120.311 120.200 0.024 0.000 2.216 192 E HA 0.025 4.375 4.350 -0.000 0.000 0.192 192 E C 2.471 179.089 176.600 0.030 0.000 0.988 192 E CA 0.570 56.986 56.400 0.026 0.000 0.834 192 E CB -0.192 29.524 29.700 0.027 0.000 0.772 192 E HN 0.508 nan 8.360 nan 0.000 0.479 193 G N 2.048 110.887 108.800 0.065 0.000 2.402 193 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 193 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 193 G C 1.542 176.464 174.900 0.037 0.000 1.162 193 G CA 0.672 45.789 45.100 0.028 0.000 0.777 193 G HN 0.111 nan 8.290 nan 0.000 0.539 194 K N 0.540 120.985 120.400 0.075 0.000 2.097 194 K HA 0.063 4.383 4.320 -0.000 0.000 0.206 194 K C 2.716 179.327 176.600 0.017 0.000 1.049 194 K CA 1.216 57.528 56.287 0.042 0.000 0.933 194 K CB -0.261 32.253 32.500 0.024 0.000 0.717 194 K HN 0.210 nan 8.250 nan 0.000 0.442 195 A N 0.834 123.663 122.820 0.015 0.000 1.929 195 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 195 A C 2.259 179.850 177.584 0.011 0.000 1.176 195 A CA 1.530 53.575 52.037 0.013 0.000 0.628 195 A CB -0.580 18.427 19.000 0.012 0.000 0.816 195 A HN 0.458 nan 8.150 nan 0.000 0.444 196 A N -0.093 122.727 122.820 -0.001 0.000 1.898 196 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 196 A C 2.082 179.659 177.584 -0.013 0.000 1.181 196 A CA 1.418 53.448 52.037 -0.013 0.000 0.620 196 A CB -0.557 18.424 19.000 -0.031 0.000 0.819 196 A HN 0.458 nan 8.150 nan 0.000 0.442 197 L N -0.909 120.305 121.223 -0.015 0.000 2.291 197 L HA -0.139 4.201 4.340 -0.000 0.000 0.214 197 L C 2.684 179.584 176.870 0.050 0.000 1.120 197 L CA 1.247 56.085 54.840 -0.002 0.000 0.799 197 L CB -0.339 41.710 42.059 -0.016 0.000 0.925 197 L HN 0.461 nan 8.230 nan 0.000 0.446 198 Q N 0.850 120.679 119.800 0.049 0.000 2.172 198 Q HA -0.185 4.154 4.340 -0.000 0.000 0.200 198 Q C 1.883 177.961 176.000 0.130 0.000 0.964 198 Q CA 1.539 57.401 55.803 0.098 0.000 0.855 198 Q CB 0.053 28.824 28.738 0.056 0.000 0.918 198 Q HN 0.471 nan 8.270 nan 0.000 0.444 199 E N -0.965 119.274 120.200 0.065 0.000 2.072 199 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 199 E C 1.914 178.531 176.600 0.029 0.000 0.985 199 E CA 1.344 57.767 56.400 0.038 0.000 0.801 199 E CB 0.057 29.765 29.700 0.013 0.000 0.750 199 E HN 0.179 nan 8.360 nan 0.000 0.452 200 V N 0.869 120.803 119.914 0.033 0.000 2.515 200 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 200 V C 2.019 178.139 176.094 0.043 0.000 1.058 200 V CA 1.630 63.940 62.300 0.017 0.000 1.064 200 V CB -0.528 31.297 31.823 0.004 0.000 0.675 200 V HN 0.321 nan 8.190 nan 0.000 0.461 201 Y N 1.532 121.817 120.300 -0.026 0.000 2.200 201 Y HA -0.197 4.353 4.550 -0.000 0.000 0.290 201 Y C 2.419 178.310 175.900 -0.016 0.000 1.137 201 Y CA 2.014 60.102 58.100 -0.020 0.000 1.163 201 Y CB -0.197 38.254 38.460 -0.016 0.000 0.988 201 Y HN 0.337 nan 8.280 nan 0.000 0.518 202 E N -0.265 119.857 120.200 -0.130 0.000 2.204 202 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 202 E C 2.165 178.662 176.600 -0.172 0.000 0.989 202 E CA 1.075 57.354 56.400 -0.202 0.000 0.824 202 E CB -0.085 29.592 29.700 -0.039 0.000 0.756 202 E HN 0.637 nan 8.360 nan 0.000 0.477 203 Q N 0.034 119.766 119.800 -0.113 0.000 2.096 203 Q HA -0.095 4.245 4.340 -0.000 0.000 0.197 203 Q C 1.799 177.737 176.000 -0.104 0.000 0.964 203 Q CA 1.785 57.535 55.803 -0.088 0.000 0.838 203 Q CB 0.301 29.006 28.738 -0.054 0.000 0.906 203 Q HN 0.317 nan 8.270 nan 0.000 0.444 204 T N -5.455 109.028 114.554 -0.118 0.000 2.975 204 T HA 0.371 4.721 4.350 -0.000 0.000 0.257 204 T C 1.170 175.788 174.700 -0.136 0.000 1.003 204 T CA 0.561 62.601 62.100 -0.100 0.000 0.932 204 T CB 0.994 69.828 68.868 -0.057 0.000 1.087 204 T HN 0.464 nan 8.240 nan 0.000 0.512 205 G N 1.410 110.051 108.800 -0.265 0.000 2.176 205 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.253 205 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.253 205 G C -0.056 174.796 174.900 -0.080 0.000 0.979 205 G CA 0.289 45.186 45.100 -0.338 0.000 0.641 205 G HN 0.860 nan 8.290 nan 0.000 0.530 206 K N 0.276 120.697 120.400 0.035 0.000 2.185 206 K HA 0.728 5.048 4.320 -0.000 0.000 0.269 206 K C 0.034 176.801 176.600 0.279 0.000 0.987 206 K CA -1.203 55.175 56.287 0.151 0.000 0.865 206 K CB 0.839 33.375 32.500 0.059 0.000 1.090 206 K HN 0.218 nan 8.250 nan 0.000 0.450 207 R N 2.285 122.928 120.500 0.237 0.000 2.255 207 R HA 0.394 4.734 4.340 -0.000 0.000 0.326 207 R C -1.088 175.227 176.300 0.025 0.000 0.986 207 R CA -0.097 56.063 56.100 0.099 0.000 0.847 207 R CB 0.946 31.190 30.300 -0.094 0.000 1.111 207 R HN 0.713 nan 8.270 nan 0.000 0.452 208 T N 5.378 119.937 114.554 0.009 0.000 2.824 208 T HA 0.399 4.749 4.350 -0.000 0.000 0.280 208 T C -0.737 173.951 174.700 -0.019 0.000 0.995 208 T CA -0.538 61.550 62.100 -0.020 0.000 1.009 208 T CB 0.924 69.769 68.868 -0.039 0.000 0.955 208 T HN 0.213 nan 8.240 nan 0.000 0.452 209 L N 3.072 124.282 121.223 -0.021 0.000 2.334 209 L HA 0.422 4.762 4.340 -0.000 0.000 0.277 209 L C -0.520 176.390 176.870 0.067 0.000 1.075 209 L CA -0.749 54.092 54.840 0.002 0.000 0.804 209 L CB 0.391 42.434 42.059 -0.028 0.000 1.174 209 L HN 0.580 nan 8.230 nan 0.000 0.438 210 Y N 2.975 123.234 120.300 -0.069 0.000 2.342 210 Y HA 0.653 5.203 4.550 -0.000 0.000 0.338 210 Y C -0.175 175.693 175.900 -0.052 0.000 0.965 210 Y CA -1.946 56.126 58.100 -0.047 0.000 1.159 210 Y CB 1.212 39.663 38.460 -0.015 0.000 1.157 210 Y HN 0.618 nan 8.280 nan 0.000 0.486 211 A N 7.017 129.822 122.820 -0.025 0.000 2.391 211 A HA 0.529 4.849 4.320 -0.000 0.000 0.316 211 A C -0.946 176.426 177.584 -0.354 0.000 1.381 211 A CA -0.504 51.412 52.037 -0.201 0.000 0.998 211 A CB -0.129 18.767 19.000 -0.173 0.000 1.147 211 A HN 0.660 nan 8.150 nan 0.000 0.545 212 V N 3.941 123.557 119.914 -0.497 0.000 2.509 212 V HA 0.193 4.312 4.120 -0.000 0.000 0.284 212 V C 0.495 176.553 176.094 -0.060 0.000 1.047 212 V CA -0.792 61.245 62.300 -0.439 0.000 0.952 212 V CB 1.118 32.612 31.823 -0.547 0.000 0.988 212 V HN 0.937 nan 8.190 nan 0.000 0.469 213 N N 4.569 123.273 118.700 0.007 0.000 2.452 213 N HA 0.139 4.879 4.740 -0.000 0.000 0.266 213 N C -0.747 174.803 175.510 0.067 0.000 1.209 213 N CA -0.511 52.553 53.050 0.022 0.000 0.929 213 N CB 0.539 38.980 38.487 -0.077 0.000 1.063 213 N HN 0.588 nan 8.380 nan 0.000 0.472 214 L N 4.895 126.135 121.223 0.028 0.000 2.270 214 L HA 0.311 4.651 4.340 -0.000 0.000 0.286 214 L C 0.222 177.054 176.870 -0.064 0.000 1.059 214 L CA 0.010 54.773 54.840 -0.130 0.000 0.839 214 L CB 0.437 42.455 42.059 -0.069 0.000 1.221 214 L HN 0.579 nan 8.230 nan 0.000 0.431 215 T N 1.297 115.761 114.554 -0.151 0.000 2.762 215 T HA 1.002 5.352 4.350 -0.000 0.000 0.272 215 T C 0.270 175.018 174.700 0.080 0.000 0.982 215 T CA -0.360 61.801 62.100 0.101 0.000 1.013 215 T CB 1.280 70.294 68.868 0.243 0.000 1.309 215 T HN 1.302 nan 8.240 nan 0.000 0.572 216 G N 0.296 109.228 108.800 0.219 0.000 2.549 216 G HA2 0.005 3.965 3.960 -0.000 0.000 0.404 216 G HA3 0.005 3.965 3.960 -0.000 0.000 0.404 216 G C -1.077 173.952 174.900 0.214 0.000 1.292 216 G CA -0.722 44.456 45.100 0.130 0.000 0.935 216 G HN 0.872 nan 8.290 nan 0.000 0.512 217 K N 0.153 120.633 120.400 0.134 0.000 2.326 217 K HA 0.412 4.732 4.320 -0.000 0.000 0.275 217 K C 1.809 178.519 176.600 0.183 0.000 1.018 217 K CA 0.262 56.646 56.287 0.162 0.000 0.962 217 K CB 0.616 33.185 32.500 0.116 0.000 0.953 217 K HN 0.546 nan 8.250 nan 0.000 0.475 218 T N 1.973 116.653 114.554 0.210 0.000 2.620 218 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 218 T C 1.158 175.723 174.700 -0.226 0.000 1.044 218 T CA 1.718 63.826 62.100 0.012 0.000 1.161 218 T CB -0.272 68.522 68.868 -0.124 0.000 0.862 218 T HN 0.442 nan 8.240 nan 0.000 0.438 219 F N 0.751 120.736 119.950 0.058 0.000 2.795 219 F HA 0.406 4.933 4.527 -0.000 0.000 0.303 219 F C 1.941 177.745 175.800 0.006 0.000 1.186 219 F CA -0.088 57.926 58.000 0.022 0.000 1.415 219 F CB -0.237 38.776 39.000 0.020 0.000 1.106 219 F HN 0.165 nan 8.300 nan 0.000 0.558 220 A N -0.971 121.902 122.820 0.089 0.000 2.324 220 A HA 0.240 4.560 4.320 -0.000 0.000 0.220 220 A C 1.946 179.512 177.584 -0.030 0.000 1.209 220 A CA -0.042 52.022 52.037 0.045 0.000 0.918 220 A CB -0.278 18.749 19.000 0.044 0.000 0.959 220 A HN 0.317 nan 8.150 nan 0.000 0.507 221 L N -0.006 121.166 121.223 -0.085 0.000 1.989 221 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 221 L C 2.462 179.237 176.870 -0.158 0.000 1.071 221 L CA 1.886 56.622 54.840 -0.173 0.000 0.749 221 L CB -0.473 41.415 42.059 -0.285 0.000 0.890 221 L HN 0.334 nan 8.230 nan 0.000 0.431 222 K N -0.156 120.164 120.400 -0.134 0.000 2.063 222 K HA -0.180 4.139 4.320 -0.000 0.000 0.208 222 K C 1.735 178.306 176.600 -0.048 0.000 1.048 222 K CA 1.638 57.864 56.287 -0.101 0.000 0.928 222 K CB -0.230 32.221 32.500 -0.082 0.000 0.713 222 K HN 0.385 nan 8.250 nan 0.000 0.442 223 D N 0.662 121.050 120.400 -0.021 0.000 2.144 223 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 223 D C 1.796 178.110 176.300 0.023 0.000 0.978 223 D CA 1.036 55.039 54.000 0.006 0.000 0.833 223 D CB 0.044 40.856 40.800 0.020 0.000 0.961 223 D HN 0.184 nan 8.370 nan 0.000 0.470 224 K N 0.769 121.174 120.400 0.009 0.000 2.057 224 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 224 K C 2.094 178.777 176.600 0.138 0.000 1.050 224 K CA 1.013 57.335 56.287 0.059 0.000 0.935 224 K CB 0.073 32.517 32.500 -0.092 0.000 0.715 224 K HN -0.018 nan 8.250 nan 0.000 0.439 225 A N 1.543 124.382 122.820 0.032 0.000 1.898 225 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 225 A C 1.991 179.595 177.584 0.033 0.000 1.181 225 A CA 1.627 53.684 52.037 0.033 0.000 0.620 225 A CB -0.448 18.509 19.000 -0.070 0.000 0.819 225 A HN 0.321 nan 8.150 nan 0.000 0.442 226 K N -0.533 119.875 120.400 0.012 0.000 2.032 226 K HA -0.249 4.071 4.320 -0.000 0.000 0.209 226 K C 2.253 178.867 176.600 0.023 0.000 1.048 226 K CA 1.857 58.150 56.287 0.010 0.000 0.927 226 K CB -0.185 32.317 32.500 0.004 0.000 0.712 226 K HN 0.272 nan 8.250 nan 0.000 0.441 227 R N 0.489 121.016 120.500 0.044 0.000 2.081 227 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 227 R C 2.088 178.402 176.300 0.024 0.000 1.131 227 R CA 1.710 57.836 56.100 0.044 0.000 0.960 227 R CB -0.653 29.694 30.300 0.077 0.000 0.856 227 R HN 0.360 nan 8.270 nan 0.000 0.436 228 A N 0.170 123.020 122.820 0.049 0.000 1.902 228 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 228 A C 2.358 179.918 177.584 -0.041 0.000 1.181 228 A CA 1.787 53.802 52.037 -0.038 0.000 0.623 228 A CB -1.064 17.948 19.000 0.020 0.000 0.818 228 A HN 0.486 nan 8.150 nan 0.000 0.443 229 A N -0.014 122.802 122.820 -0.006 0.000 1.902 229 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 229 A C 1.880 179.457 177.584 -0.012 0.000 1.181 229 A CA 1.670 53.703 52.037 -0.006 0.000 0.623 229 A CB -0.543 18.463 19.000 0.009 0.000 0.818 229 A HN 0.662 nan 8.150 nan 0.000 0.443 230 E N -0.282 119.913 120.200 -0.009 0.000 2.208 230 E HA -0.025 4.324 4.350 -0.000 0.000 0.193 230 E C 1.392 177.980 176.600 -0.019 0.000 0.988 230 E CA 0.661 57.056 56.400 -0.009 0.000 0.828 230 E CB -0.184 29.514 29.700 -0.002 0.000 0.763 230 E HN 0.613 nan 8.360 nan 0.000 0.478 231 L N -0.293 120.910 121.223 -0.034 0.000 2.591 231 L HA 0.173 4.513 4.340 -0.000 0.000 0.228 231 L C 1.118 177.958 176.870 -0.050 0.000 1.133 231 L CA 0.286 55.099 54.840 -0.046 0.000 0.880 231 L CB 0.108 42.123 42.059 -0.074 0.000 1.033 231 L HN 0.262 nan 8.230 nan 0.000 0.450 232 G N 0.443 109.216 108.800 -0.046 0.000 2.142 232 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.225 232 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.225 232 G C 0.353 175.219 174.900 -0.056 0.000 1.015 232 G CA -0.059 45.015 45.100 -0.045 0.000 0.716 232 G HN 0.460 nan 8.290 nan 0.000 0.508 233 A N -0.300 122.473 122.820 -0.079 0.000 2.483 233 A HA 0.547 4.867 4.320 -0.000 0.000 0.238 233 A C 1.211 178.748 177.584 -0.078 0.000 1.070 233 A CA 0.882 52.856 52.037 -0.105 0.000 0.770 233 A CB 0.376 19.291 19.000 -0.142 0.000 1.008 233 A HN 0.253 nan 8.150 nan 0.000 0.497 234 D N 0.169 120.520 120.400 -0.080 0.000 2.290 234 D HA 0.144 4.784 4.640 -0.000 0.000 0.224 234 D C 0.087 176.342 176.300 -0.074 0.000 0.967 234 D CA 1.331 55.288 54.000 -0.072 0.000 0.893 234 D CB 0.180 40.953 40.800 -0.045 0.000 1.037 234 D HN 0.268 nan 8.370 nan 0.000 0.477 235 V N 1.257 121.120 119.914 -0.084 0.000 2.841 235 V HA 0.334 4.454 4.120 -0.000 0.000 0.310 235 V C -0.594 175.458 176.094 -0.070 0.000 1.090 235 V CA -0.750 61.517 62.300 -0.054 0.000 0.930 235 V CB 2.944 34.705 31.823 -0.103 0.000 1.014 235 V HN -0.018 nan 8.190 nan 0.000 0.425 236 L N 4.395 125.613 121.223 -0.007 0.000 2.280 236 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 236 L C -0.600 176.292 176.870 0.036 0.000 1.023 236 L CA -0.593 54.253 54.840 0.010 0.000 0.819 236 L CB 1.502 43.568 42.059 0.012 0.000 1.212 236 L HN 0.469 nan 8.230 nan 0.000 0.420 237 L N 4.432 125.674 121.223 0.031 0.000 2.319 237 L HA 0.420 4.760 4.340 -0.000 0.000 0.280 237 L C -1.014 175.956 176.870 0.168 0.000 1.099 237 L CA 0.432 55.313 54.840 0.068 0.000 0.828 237 L CB 0.628 42.703 42.059 0.027 0.000 1.150 237 L HN 0.350 nan 8.230 nan 0.000 0.442 238 F N 4.778 124.717 119.950 -0.019 0.000 2.536 238 F HA 0.456 4.983 4.527 -0.000 0.000 0.322 238 F C 0.109 175.917 175.800 0.012 0.000 1.144 238 F CA -0.918 57.046 58.000 -0.060 0.000 0.924 238 F CB 1.188 40.113 39.000 -0.124 0.000 1.181 238 F HN 0.476 nan 8.300 nan 0.000 0.438 239 N N 5.770 124.219 118.700 -0.419 0.000 3.243 239 N HA -0.006 4.734 4.740 -0.000 0.000 0.310 239 N C 1.786 176.958 175.510 -0.562 0.000 1.313 239 N CA 0.165 53.044 53.050 -0.284 0.000 1.204 239 N CB 0.426 38.874 38.487 -0.066 0.000 1.483 239 N HN 0.650 nan 8.380 nan 0.000 0.553 240 V N 0.305 119.691 119.914 -0.880 0.000 2.280 240 V HA -0.340 3.780 4.120 -0.000 0.000 0.258 240 V C 1.313 177.101 176.094 -0.509 0.000 1.081 240 V CA 1.964 63.769 62.300 -0.825 0.000 1.070 240 V CB -0.486 30.975 31.823 -0.604 0.000 0.666 240 V HN 0.348 nan 8.190 nan 0.000 0.450 241 F N 0.392 120.288 119.950 -0.090 0.000 2.641 241 F HA 0.147 4.674 4.527 -0.000 0.000 0.298 241 F C 1.984 177.860 175.800 0.127 0.000 1.146 241 F CA 0.972 59.012 58.000 0.067 0.000 1.464 241 F CB -0.698 38.410 39.000 0.180 0.000 1.101 241 F HN 0.276 nan 8.300 nan 0.000 0.585 242 A N -2.436 120.406 122.820 0.037 0.000 2.348 242 A HA 0.191 4.510 4.320 -0.000 0.000 0.224 242 A C 0.872 178.239 177.584 -0.363 0.000 1.227 242 A CA 0.194 52.077 52.037 -0.257 0.000 0.885 242 A CB -0.452 18.312 19.000 -0.392 0.000 0.933 242 A HN 0.440 nan 8.150 nan 0.000 0.506 243 Y N -1.027 119.187 120.300 -0.144 0.000 2.425 243 Y HA 0.430 4.980 4.550 -0.000 0.000 0.261 243 Y C 1.127 177.023 175.900 -0.006 0.000 1.084 243 Y CA 0.130 58.191 58.100 -0.065 0.000 1.248 243 Y CB 0.938 39.396 38.460 -0.004 0.000 1.270 243 Y HN 0.400 nan 8.280 nan 0.000 0.524 244 G N 0.578 109.453 108.800 0.126 0.000 3.055 244 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 244 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 244 G C -0.120 174.797 174.900 0.028 0.000 1.087 244 G CA -0.692 44.470 45.100 0.103 0.000 0.779 244 G HN 0.029 nan 8.290 nan 0.000 0.599 245 L N 1.794 122.986 121.223 -0.052 0.000 2.051 245 L HA -0.076 4.264 4.340 -0.000 0.000 0.214 245 L C 2.549 179.408 176.870 -0.017 0.000 1.076 245 L CA 2.824 57.597 54.840 -0.111 0.000 0.758 245 L CB -0.768 41.223 42.059 -0.113 0.000 0.890 245 L HN 0.891 nan 8.230 nan 0.000 0.433 246 D N -1.221 119.199 120.400 0.035 0.000 2.221 246 D HA -0.151 4.489 4.640 -0.000 0.000 0.204 246 D C 2.091 178.394 176.300 0.006 0.000 0.982 246 D CA 0.776 54.799 54.000 0.039 0.000 0.857 246 D CB 0.229 41.068 40.800 0.065 0.000 0.934 246 D HN 0.138 nan 8.370 nan 0.000 0.475 247 V N 0.281 120.212 119.914 0.027 0.000 2.453 247 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 247 V C 2.382 178.422 176.094 -0.090 0.000 1.048 247 V CA 1.223 63.512 62.300 -0.018 0.000 1.049 247 V CB -0.505 31.373 31.823 0.092 0.000 0.672 247 V HN 0.298 nan 8.190 nan 0.000 0.457 248 L N 0.402 121.639 121.223 0.023 0.000 2.042 248 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 248 L C 2.459 179.260 176.870 -0.115 0.000 1.076 248 L CA 2.294 57.105 54.840 -0.049 0.000 0.749 248 L CB -0.848 41.236 42.059 0.043 0.000 0.893 248 L HN 0.404 nan 8.230 nan 0.000 0.432 249 Q N -1.002 118.753 119.800 -0.074 0.000 2.224 249 Q HA -0.164 4.176 4.340 -0.000 0.000 0.203 249 Q C 2.019 177.960 176.000 -0.098 0.000 0.970 249 Q CA 1.378 57.138 55.803 -0.072 0.000 0.865 249 Q CB -0.097 28.632 28.738 -0.016 0.000 0.922 249 Q HN 0.677 nan 8.270 nan 0.000 0.445 250 A N 0.500 123.252 122.820 -0.112 0.000 1.929 250 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 250 A C 1.972 179.463 177.584 -0.155 0.000 1.176 250 A CA 0.739 52.701 52.037 -0.124 0.000 0.628 250 A CB -0.456 18.467 19.000 -0.128 0.000 0.816 250 A HN 0.415 nan 8.150 nan 0.000 0.444 251 L N -1.098 119.995 121.223 -0.217 0.000 2.056 251 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 251 L C 2.829 179.600 176.870 -0.166 0.000 1.078 251 L CA 1.119 55.813 54.840 -0.243 0.000 0.749 251 L CB -0.478 41.338 42.059 -0.404 0.000 0.901 251 L HN 0.305 nan 8.230 nan 0.000 0.433 252 R N 1.214 121.625 120.500 -0.149 0.000 2.080 252 R HA -0.179 4.161 4.340 -0.000 0.000 0.236 252 R C 1.826 178.060 176.300 -0.111 0.000 1.137 252 R CA 1.788 57.820 56.100 -0.114 0.000 0.943 252 R CB -0.479 29.755 30.300 -0.109 0.000 0.846 252 R HN 0.446 nan 8.270 nan 0.000 0.431 253 E N 0.528 120.662 120.200 -0.111 0.000 2.516 253 E HA -0.086 4.264 4.350 -0.000 0.000 0.199 253 E C -0.175 176.371 176.600 -0.091 0.000 1.069 253 E CA -0.010 56.328 56.400 -0.104 0.000 0.876 253 E CB -0.043 29.593 29.700 -0.107 0.000 0.843 253 E HN 0.206 nan 8.360 nan 0.000 0.530 254 D N 1.424 121.771 120.400 -0.089 0.000 2.365 254 D HA -0.020 4.620 4.640 -0.000 0.000 0.237 254 D C 0.686 176.951 176.300 -0.059 0.000 1.190 254 D CA 0.001 53.958 54.000 -0.073 0.000 0.867 254 D CB 0.762 41.515 40.800 -0.078 0.000 1.050 254 D HN -0.097 nan 8.370 nan 0.000 0.491 255 E N 2.609 122.778 120.200 -0.051 0.000 2.401 255 E HA -0.137 4.213 4.350 -0.000 0.000 0.199 255 E C 0.803 177.389 176.600 -0.024 0.000 1.023 255 E CA 0.612 56.987 56.400 -0.041 0.000 0.859 255 E CB 0.258 29.934 29.700 -0.039 0.000 0.780 255 E HN 0.692 nan 8.360 nan 0.000 0.523 256 E N -0.376 119.809 120.200 -0.024 0.000 2.474 256 E HA 0.096 4.446 4.350 -0.000 0.000 0.194 256 E C 1.574 178.168 176.600 -0.008 0.000 1.041 256 E CA -0.004 56.388 56.400 -0.014 0.000 0.874 256 E CB 0.401 30.092 29.700 -0.015 0.000 0.914 256 E HN 0.255 nan 8.360 nan 0.000 0.498 257 I N 0.220 120.782 120.570 -0.013 0.000 3.325 257 I HA 0.111 4.281 4.170 -0.000 0.000 0.237 257 I C 1.147 177.282 176.117 0.030 0.000 1.068 257 I CA 0.299 61.596 61.300 -0.004 0.000 1.511 257 I CB -0.077 37.903 38.000 -0.033 0.000 1.409 257 I HN -0.077 nan 8.210 nan 0.000 0.464 258 A N 1.560 124.400 122.820 0.034 0.000 2.783 258 A HA -0.133 4.187 4.320 -0.000 0.000 0.292 258 A C 0.291 178.039 177.584 0.274 0.000 1.495 258 A CA 0.876 52.971 52.037 0.097 0.000 0.787 258 A CB -2.491 16.546 19.000 0.061 0.000 1.017 258 A HN 0.547 nan 8.150 nan 0.000 0.516 259 V N -4.243 115.808 119.914 0.229 0.000 2.881 259 V HA 0.911 5.031 4.120 -0.000 0.000 0.316 259 V C -2.473 173.804 176.094 0.305 0.000 1.070 259 V CA -2.613 59.808 62.300 0.203 0.000 0.976 259 V CB 1.641 33.496 31.823 0.052 0.000 1.038 259 V HN 0.170 nan 8.190 nan 0.000 0.446 260 P HA 0.368 nan 4.420 nan 0.000 0.267 260 P C -0.762 176.682 177.300 0.240 0.000 1.200 260 P CA 0.324 63.562 63.100 0.231 0.000 0.772 260 P CB 0.278 32.014 31.700 0.060 0.000 0.855 261 I N 2.741 123.476 120.570 0.275 0.000 2.406 261 I HA 0.415 4.584 4.170 -0.000 0.000 0.290 261 I C 0.133 176.445 176.117 0.324 0.000 0.999 261 I CA -0.642 60.782 61.300 0.206 0.000 1.124 261 I CB 1.496 39.557 38.000 0.103 0.000 1.289 261 I HN 0.231 nan 8.210 nan 0.000 0.441 262 M N 6.376 126.121 119.600 0.240 0.000 2.101 262 M HA 0.644 5.124 4.480 -0.000 0.000 0.340 262 M C -0.714 175.683 176.300 0.161 0.000 1.057 262 M CA -0.440 54.986 55.300 0.209 0.000 0.984 262 M CB 1.204 33.733 32.600 -0.119 0.000 1.560 262 M HN 0.693 nan 8.290 nan 0.000 0.435 263 A N 4.444 127.365 122.820 0.169 0.000 2.289 263 A HA 0.370 4.690 4.320 -0.000 0.000 0.298 263 A C -0.914 176.739 177.584 0.116 0.000 1.208 263 A CA -0.439 51.678 52.037 0.133 0.000 0.845 263 A CB 0.211 19.265 19.000 0.090 0.000 1.125 263 A HN 0.897 nan 8.150 nan 0.000 0.517 264 H N 4.351 123.462 119.070 0.069 0.000 2.467 264 H HA 0.337 4.893 4.556 -0.000 0.000 0.331 264 H C -1.836 173.613 175.328 0.203 0.000 1.120 264 H CA -1.695 54.408 56.048 0.091 0.000 1.270 264 H CB 2.099 31.888 29.762 0.045 0.000 1.466 264 H HN 0.438 nan 8.280 nan 0.000 0.504 265 P HA -0.063 nan 4.420 nan 0.000 0.245 265 P C 0.525 178.034 177.300 0.348 0.000 1.212 265 P CA 0.059 63.366 63.100 0.345 0.000 0.774 265 P CB 0.466 32.265 31.700 0.165 0.000 0.999 266 V N 1.306 121.517 119.914 0.495 0.000 2.681 266 V HA -0.141 3.979 4.120 -0.000 0.000 0.306 266 V C 1.220 177.532 176.094 0.363 0.000 1.077 266 V CA 1.239 63.717 62.300 0.297 0.000 1.224 266 V CB -1.449 30.426 31.823 0.087 0.000 0.879 266 V HN 0.318 nan 8.190 nan 0.000 0.494 267 F N 3.505 123.510 119.950 0.092 0.000 2.619 267 F HA -0.321 4.206 4.527 -0.000 0.000 0.425 267 F C 1.890 177.714 175.800 0.041 0.000 0.575 267 F CA 1.718 59.769 58.000 0.086 0.000 1.289 267 F CB -1.553 37.522 39.000 0.125 0.000 1.859 267 F HN 0.673 nan 8.300 nan 0.000 0.280 268 S N -0.279 115.324 115.700 -0.161 0.000 2.447 268 S HA 0.058 4.528 4.470 -0.000 0.000 0.233 268 S C 2.118 176.567 174.600 -0.251 0.000 1.006 268 S CA 0.991 58.890 58.200 -0.503 0.000 0.957 268 S CB -0.840 61.757 63.200 -1.005 0.000 0.773 268 S HN 0.859 nan 8.310 nan 0.000 0.507 269 G N 0.615 109.288 108.800 -0.213 0.000 2.776 269 G HA2 0.275 4.235 3.960 -0.000 0.000 0.209 269 G HA3 0.275 4.235 3.960 -0.000 0.000 0.209 269 G C 1.327 176.093 174.900 -0.225 0.000 1.145 269 G CA 0.377 45.377 45.100 -0.166 0.000 0.791 269 G HN 0.727 nan 8.290 nan 0.000 0.530 270 A N -0.251 122.329 122.820 -0.400 0.000 2.067 270 A HA 0.290 4.610 4.320 -0.000 0.000 0.217 270 A C 2.249 179.690 177.584 -0.237 0.000 1.156 270 A CA 1.282 53.077 52.037 -0.403 0.000 0.683 270 A CB 0.070 18.580 19.000 -0.817 0.000 0.808 270 A HN 0.235 nan 8.150 nan 0.000 0.455 271 V N -0.540 119.238 119.914 -0.226 0.000 3.263 271 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 271 V C 2.532 178.490 176.094 -0.227 0.000 1.145 271 V CA 1.887 64.040 62.300 -0.245 0.000 1.107 271 V CB -0.023 31.521 31.823 -0.464 0.000 0.797 271 V HN 0.760 nan 8.190 nan 0.000 0.467 272 T N -1.948 112.506 114.554 -0.165 0.000 3.039 272 T HA 0.096 4.446 4.350 -0.000 0.000 0.250 272 T C 0.259 174.901 174.700 -0.097 0.000 1.052 272 T CA 0.602 62.627 62.100 -0.125 0.000 1.125 272 T CB -0.872 67.954 68.868 -0.071 0.000 0.908 272 T HN 0.423 nan 8.240 nan 0.000 0.473 273 P HA -0.024 nan 4.420 nan 0.000 0.216 273 P C 1.050 178.287 177.300 -0.104 0.000 1.150 273 P CA 0.845 63.896 63.100 -0.082 0.000 0.843 273 P CB -0.287 31.373 31.700 -0.067 0.000 0.787 274 S N -0.188 115.466 115.700 -0.077 0.000 2.563 274 S HA -0.088 4.382 4.470 -0.000 0.000 0.284 274 S C 1.349 175.786 174.600 -0.272 0.000 1.331 274 S CA -0.100 58.034 58.200 -0.110 0.000 1.047 274 S CB 0.320 63.568 63.200 0.079 0.000 0.859 274 S HN 0.240 nan 8.310 nan 0.000 0.514 275 E N 2.071 121.932 120.200 -0.565 0.000 2.318 275 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 275 E C 0.450 176.524 176.600 -0.876 0.000 0.998 275 E CA 0.700 56.625 56.400 -0.791 0.000 0.859 275 E CB 0.012 29.027 29.700 -1.141 0.000 0.812 275 E HN 0.836 nan 8.360 nan 0.000 0.492 276 F N -1.230 118.453 119.950 -0.445 0.000 2.712 276 F HA 0.260 4.787 4.527 -0.000 0.000 0.297 276 F C 0.149 175.574 175.800 -0.625 0.000 1.114 276 F CA -0.329 57.246 58.000 -0.708 0.000 1.305 276 F CB 0.147 38.534 39.000 -1.023 0.000 1.086 276 F HN -0.113 nan 8.300 nan 0.000 0.599 277 Y N -0.546 119.858 120.300 0.173 0.000 2.753 277 Y HA 0.739 5.289 4.550 -0.000 0.000 0.324 277 Y C 1.021 176.972 175.900 0.084 0.000 1.147 277 Y CA -1.576 56.628 58.100 0.172 0.000 1.173 277 Y CB 0.065 38.623 38.460 0.163 0.000 1.361 277 Y HN 0.078 nan 8.280 nan 0.000 0.545 278 G N -0.401 108.597 108.800 0.330 0.000 2.593 278 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.237 278 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.237 278 G C -1.647 173.139 174.900 -0.190 0.000 1.312 278 G CA -0.413 44.735 45.100 0.079 0.000 0.896 278 G HN 0.831 nan 8.290 nan 0.000 0.574 279 V N 0.494 120.200 119.914 -0.347 0.000 2.656 279 V HA 0.749 4.869 4.120 -0.000 0.000 0.307 279 V C 0.895 176.838 176.094 -0.251 0.000 1.051 279 V CA -0.140 61.900 62.300 -0.433 0.000 0.893 279 V CB 1.331 32.768 31.823 -0.642 0.000 0.999 279 V HN 2.169 nan 8.190 nan 0.000 0.426 280 A N 6.522 129.238 122.820 -0.174 0.000 2.477 280 A HA 0.439 4.759 4.320 -0.000 0.000 0.246 280 A C -0.813 176.764 177.584 -0.012 0.000 1.078 280 A CA -0.807 51.174 52.037 -0.093 0.000 0.770 280 A CB 0.033 18.979 19.000 -0.090 0.000 1.011 280 A HN 0.723 nan 8.150 nan 0.000 0.494 281 P HA -0.235 nan 4.420 nan 0.000 0.216 281 P C 1.550 178.876 177.300 0.042 0.000 1.150 281 P CA 2.038 65.168 63.100 0.049 0.000 0.837 281 P CB -0.121 31.576 31.700 -0.005 0.000 0.786 282 S N -0.564 115.130 115.700 -0.009 0.000 2.400 282 S HA -0.169 4.301 4.470 -0.000 0.000 0.232 282 S C 1.990 176.610 174.600 0.034 0.000 1.025 282 S CA 1.289 59.476 58.200 -0.021 0.000 0.993 282 S CB -1.484 61.691 63.200 -0.041 0.000 0.808 282 S HN 0.075 nan 8.310 nan 0.000 0.478 283 L N 0.199 121.464 121.223 0.071 0.000 2.145 283 L HA 0.349 4.689 4.340 -0.000 0.000 0.201 283 L C 2.253 179.293 176.870 0.284 0.000 1.075 283 L CA 1.169 56.087 54.840 0.130 0.000 0.773 283 L CB -0.972 41.132 42.059 0.074 0.000 0.936 283 L HN 0.505 nan 8.230 nan 0.000 0.451 284 W N -0.503 120.818 121.300 0.035 0.000 2.354 284 W HA -0.227 4.433 4.660 -0.000 0.000 0.315 284 W C 1.875 178.548 176.519 0.257 0.000 1.206 284 W CA 1.032 58.451 57.345 0.123 0.000 1.290 284 W CB 0.263 29.729 29.460 0.011 0.000 1.152 284 W HN 0.181 nan 8.180 nan 0.000 0.489 285 L N -0.580 120.794 121.223 0.251 0.000 2.463 285 L HA 0.202 4.542 4.340 -0.000 0.000 0.219 285 L C 2.252 179.197 176.870 0.125 0.000 1.088 285 L CA 1.368 56.330 54.840 0.205 0.000 0.849 285 L CB -1.065 41.080 42.059 0.143 0.000 1.012 285 L HN -0.077 nan 8.230 nan 0.000 0.468 286 G N -0.576 108.273 108.800 0.082 0.000 2.618 286 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.222 286 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.222 286 G C 1.409 176.352 174.900 0.073 0.000 1.520 286 G CA 0.449 45.576 45.100 0.045 0.000 0.930 286 G HN 0.154 nan 8.290 nan 0.000 0.547 287 K N 0.029 120.481 120.400 0.087 0.000 2.015 287 K HA -0.057 4.263 4.320 -0.000 0.000 0.216 287 K C 2.567 179.242 176.600 0.125 0.000 1.052 287 K CA 1.593 57.954 56.287 0.123 0.000 0.937 287 K CB -0.545 32.034 32.500 0.131 0.000 0.719 287 K HN 0.299 nan 8.250 nan 0.000 0.446 288 L N 0.481 121.780 121.223 0.127 0.000 2.046 288 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 288 L C 2.449 179.297 176.870 -0.036 0.000 1.077 288 L CA 1.008 55.888 54.840 0.065 0.000 0.747 288 L CB -0.429 41.694 42.059 0.107 0.000 0.896 288 L HN 0.252 nan 8.230 nan 0.000 0.432 289 L N -0.441 120.764 121.223 -0.030 0.000 2.083 289 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 289 L C 2.851 179.684 176.870 -0.061 0.000 1.083 289 L CA 1.173 55.972 54.840 -0.068 0.000 0.752 289 L CB -0.496 41.550 42.059 -0.021 0.000 0.899 289 L HN 0.303 nan 8.230 nan 0.000 0.433 290 R N 0.715 121.192 120.500 -0.038 0.000 2.066 290 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 290 R C 2.415 178.565 176.300 -0.250 0.000 1.131 290 R CA 1.256 57.315 56.100 -0.070 0.000 0.955 290 R CB -0.254 30.054 30.300 0.014 0.000 0.851 290 R HN 0.295 nan 8.270 nan 0.000 0.432 291 L N 0.525 121.575 121.223 -0.289 0.000 2.083 291 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 291 L C 2.313 178.941 176.870 -0.404 0.000 1.083 291 L CA 1.744 56.236 54.840 -0.580 0.000 0.752 291 L CB -0.334 41.550 42.059 -0.291 0.000 0.899 291 L HN 0.326 nan 8.230 nan 0.000 0.433 292 A N -0.922 121.767 122.820 -0.219 0.000 2.015 292 A HA 0.113 4.433 4.320 -0.000 0.000 0.219 292 A C 1.742 179.247 177.584 -0.130 0.000 1.163 292 A CA 1.267 53.226 52.037 -0.131 0.000 0.646 292 A CB -0.482 18.454 19.000 -0.108 0.000 0.806 292 A HN 0.723 nan 8.150 nan 0.000 0.448 293 G N -3.046 105.665 108.800 -0.149 0.000 2.234 293 G HA2 0.281 4.241 3.960 -0.000 0.000 0.153 293 G HA3 0.281 4.241 3.960 -0.000 0.000 0.153 293 G C 0.238 175.108 174.900 -0.050 0.000 1.013 293 G CA 0.013 45.044 45.100 -0.115 0.000 0.712 293 G HN 1.340 nan 8.290 nan 0.000 0.491 294 A N 0.542 123.347 122.820 -0.025 0.000 2.450 294 A HA 0.547 4.867 4.320 -0.000 0.000 0.255 294 A C 1.109 178.729 177.584 0.060 0.000 1.096 294 A CA 0.761 52.827 52.037 0.049 0.000 0.778 294 A CB 0.315 19.354 19.000 0.065 0.000 1.031 294 A HN 0.186 nan 8.150 nan 0.000 0.494 295 D N 1.244 121.706 120.400 0.103 0.000 2.183 295 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 295 D C -0.311 175.924 176.300 -0.107 0.000 0.962 295 D CA 1.432 55.416 54.000 -0.026 0.000 0.849 295 D CB 0.117 40.887 40.800 -0.050 0.000 0.978 295 D HN 0.583 nan 8.370 nan 0.000 0.488 296 F N 0.092 120.129 119.950 0.145 0.000 2.532 296 F HA 0.451 4.978 4.527 -0.000 0.000 0.321 296 F C -0.147 175.716 175.800 0.104 0.000 1.089 296 F CA -1.078 57.012 58.000 0.150 0.000 0.926 296 F CB 2.341 41.381 39.000 0.066 0.000 1.168 296 F HN -0.444 nan 8.300 nan 0.000 0.459 297 V N 4.180 124.284 119.914 0.317 0.000 2.482 297 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 297 V C -0.714 175.497 176.094 0.196 0.000 1.026 297 V CA -0.592 61.850 62.300 0.238 0.000 0.856 297 V CB 1.639 33.609 31.823 0.245 0.000 1.001 297 V HN 0.474 nan 8.190 nan 0.000 0.424 298 L N 6.332 127.578 121.223 0.038 0.000 2.357 298 L HA 0.745 5.085 4.340 -0.000 0.000 0.273 298 L C -0.374 176.490 176.870 -0.010 0.000 1.080 298 L CA 0.227 54.963 54.840 -0.173 0.000 0.803 298 L CB 0.985 42.818 42.059 -0.376 0.000 1.174 298 L HN 0.665 nan 8.230 nan 0.000 0.443 299 F N 0.646 120.534 119.950 -0.103 0.000 2.668 299 F HA 0.722 5.249 4.527 -0.000 0.000 0.309 299 F C -2.835 172.921 175.800 -0.074 0.000 1.117 299 F CA -2.596 55.367 58.000 -0.063 0.000 0.951 299 F CB 0.749 39.730 39.000 -0.031 0.000 1.323 299 F HN 0.244 nan 8.300 nan 0.000 0.451 300 P HA 0.068 nan 4.420 nan 0.000 0.263 300 P C -0.180 177.171 177.300 0.085 0.000 1.195 300 P CA 0.185 63.327 63.100 0.070 0.000 0.762 300 P CB 1.214 32.962 31.700 0.080 0.000 0.799 301 S N 4.289 119.968 115.700 -0.035 0.000 2.585 301 S HA 0.211 4.681 4.470 -0.000 0.000 0.273 301 S C -1.275 173.268 174.600 -0.095 0.000 1.339 301 S CA -0.864 57.302 58.200 -0.057 0.000 1.028 301 S CB 0.033 63.237 63.200 0.006 0.000 0.906 301 S HN 0.406 nan 8.310 nan 0.000 0.528 302 P HA 0.178 nan 4.420 nan 0.000 0.253 302 P C -0.741 176.290 177.300 -0.449 0.000 1.260 302 P CA 0.187 63.073 63.100 -0.358 0.000 0.800 302 P CB -0.223 31.265 31.700 -0.354 0.000 1.162 310 R N 2.114 122.587 120.500 -0.044 0.000 2.057 310 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 310 R C 1.530 177.804 176.300 -0.044 0.000 1.136 310 R CA 2.061 58.128 56.100 -0.055 0.000 0.952 310 R CB 0.038 30.305 30.300 -0.056 0.000 0.848 310 R HN 0.325 nan 8.270 nan 0.000 0.430 311 E N 0.617 120.792 120.200 -0.043 0.000 2.204 311 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 311 E C 1.837 178.411 176.600 -0.043 0.000 0.990 311 E CA 1.617 57.989 56.400 -0.045 0.000 0.821 311 E CB -0.067 29.608 29.700 -0.041 0.000 0.750 311 E HN 0.495 nan 8.360 nan 0.000 0.477 312 Q N -0.506 119.270 119.800 -0.039 0.000 2.046 312 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 312 Q C 2.083 178.050 176.000 -0.056 0.000 0.975 312 Q CA 1.777 57.552 55.803 -0.046 0.000 0.836 312 Q CB -0.344 28.371 28.738 -0.039 0.000 0.896 312 Q HN 0.345 nan 8.270 nan 0.000 0.428 313 A N 0.711 123.529 122.820 -0.002 0.000 1.933 313 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 313 A C 2.058 179.689 177.584 0.078 0.000 1.175 313 A CA 1.241 53.313 52.037 0.057 0.000 0.628 313 A CB -0.730 18.469 19.000 0.331 0.000 0.814 313 A HN 0.474 nan 8.150 nan 0.000 0.444 314 L N -0.811 120.441 121.223 0.048 0.000 2.083 314 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 314 L C 2.825 179.684 176.870 -0.018 0.000 1.083 314 L CA 1.050 55.892 54.840 0.004 0.000 0.752 314 L CB -0.880 41.126 42.059 -0.090 0.000 0.899 314 L HN 0.500 nan 8.230 nan 0.000 0.433 315 G N 0.472 109.240 108.800 -0.054 0.000 2.418 315 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 315 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 315 G C 1.577 176.420 174.900 -0.095 0.000 1.158 315 G CA 0.673 45.735 45.100 -0.064 0.000 0.771 315 G HN 0.282 nan 8.290 nan 0.000 0.545 316 I N 1.311 121.765 120.570 -0.193 0.000 2.202 316 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 316 I C 3.325 179.294 176.117 -0.247 0.000 1.091 316 I CA 0.981 62.098 61.300 -0.304 0.000 1.368 316 I CB -0.388 37.212 38.000 -0.666 0.000 1.058 316 I HN 0.238 nan 8.210 nan 0.000 0.410 317 A N 0.917 123.610 122.820 -0.212 0.000 1.908 317 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 317 A C 2.455 180.084 177.584 0.076 0.000 1.181 317 A CA 1.932 54.008 52.037 0.065 0.000 0.627 317 A CB -0.741 18.512 19.000 0.422 0.000 0.818 317 A HN 0.349 nan 8.150 nan 0.000 0.445 318 R N -0.478 120.046 120.500 0.040 0.000 2.083 318 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 318 R C 2.314 178.630 176.300 0.026 0.000 1.137 318 R CA 1.656 57.773 56.100 0.029 0.000 0.951 318 R CB -0.427 29.875 30.300 0.003 0.000 0.851 318 R HN 0.461 nan 8.270 nan 0.000 0.434 319 A N 0.710 123.536 122.820 0.010 0.000 1.930 319 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 319 A C 2.183 179.801 177.584 0.056 0.000 1.175 319 A CA 1.091 53.145 52.037 0.029 0.000 0.627 319 A CB -0.440 18.571 19.000 0.018 0.000 0.815 319 A HN 0.346 nan 8.150 nan 0.000 0.443 320 L N -0.334 120.919 121.223 0.049 0.000 2.093 320 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 320 L C 2.600 179.512 176.870 0.070 0.000 1.085 320 L CA 1.779 56.662 54.840 0.072 0.000 0.755 320 L CB -0.457 41.661 42.059 0.098 0.000 0.904 320 L HN 0.652 nan 8.230 nan 0.000 0.435 321 T N -5.488 109.105 114.554 0.065 0.000 3.054 321 T HA 0.030 4.380 4.350 -0.000 0.000 0.255 321 T C 0.651 175.375 174.700 0.040 0.000 1.035 321 T CA -0.509 61.618 62.100 0.045 0.000 0.941 321 T CB -0.160 68.739 68.868 0.051 0.000 1.026 321 T HN 0.022 nan 8.240 nan 0.000 0.533 322 D N 2.677 123.105 120.400 0.047 0.000 2.662 322 D HA -0.069 4.571 4.640 -0.000 0.000 0.233 322 D C 0.761 177.080 176.300 0.032 0.000 1.129 322 D CA 0.358 54.380 54.000 0.037 0.000 0.851 322 D CB 0.831 41.655 40.800 0.040 0.000 1.152 322 D HN 0.309 nan 8.370 nan 0.000 0.507 323 D N 2.351 122.761 120.400 0.016 0.000 2.224 323 D HA -0.148 4.492 4.640 -0.000 0.000 0.205 323 D C 1.484 177.782 176.300 -0.003 0.000 0.965 323 D CA 0.985 54.989 54.000 0.007 0.000 0.852 323 D CB 0.335 41.136 40.800 0.002 0.000 0.947 323 D HN 0.347 nan 8.370 nan 0.000 0.494 324 Q N 0.335 120.133 119.800 -0.003 0.000 2.226 324 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 324 Q C 0.356 176.334 176.000 -0.036 0.000 0.975 324 Q CA 0.756 56.550 55.803 -0.016 0.000 0.866 324 Q CB -0.265 28.467 28.738 -0.010 0.000 0.915 324 Q HN 0.456 nan 8.270 nan 0.000 0.440 325 E N 1.824 122.009 120.200 -0.024 0.000 2.392 325 E HA 0.014 4.364 4.350 -0.000 0.000 0.264 325 E C -1.606 174.866 176.600 -0.214 0.000 1.024 325 E CA -1.597 54.748 56.400 -0.091 0.000 0.903 325 E CB 0.313 30.054 29.700 0.068 0.000 0.963 325 E HN 0.089 nan 8.360 nan 0.000 0.432 326 P HA 0.053 nan 4.420 nan 0.000 0.256 326 P C -0.583 176.460 177.300 -0.428 0.000 1.335 326 P CA 0.372 63.203 63.100 -0.448 0.000 0.808 326 P CB 0.017 31.432 31.700 -0.475 0.000 1.305 327 F N 0.472 120.439 119.950 0.028 0.000 2.575 327 F HA 0.629 5.156 4.527 -0.000 0.000 0.330 327 F C 0.992 176.788 175.800 -0.007 0.000 1.056 327 F CA -1.850 56.157 58.000 0.012 0.000 0.964 327 F CB 0.237 39.252 39.000 0.025 0.000 1.258 327 F HN -0.186 nan 8.300 nan 0.000 0.484 328 A N 1.400 124.332 122.820 0.187 0.000 2.448 328 A HA 0.448 4.768 4.320 -0.000 0.000 0.239 328 A C 0.339 177.961 177.584 0.063 0.000 1.080 328 A CA -0.471 51.607 52.037 0.070 0.000 0.779 328 A CB 0.148 19.159 19.000 0.019 0.000 1.026 328 A HN 0.814 nan 8.150 nan 0.000 0.499 329 R N -0.088 120.410 120.500 -0.004 0.000 2.531 329 R HA 0.502 4.842 4.340 -0.000 0.000 0.273 329 R C 0.068 176.322 176.300 -0.076 0.000 1.070 329 R CA 0.192 56.278 56.100 -0.024 0.000 1.112 329 R CB 1.034 31.294 30.300 -0.066 0.000 1.049 329 R HN 0.796 nan 8.270 nan 0.000 0.508 330 A N 2.449 125.250 122.820 -0.033 0.000 2.312 330 A HA 0.407 4.727 4.320 -0.000 0.000 0.328 330 A C -0.752 176.840 177.584 0.013 0.000 1.158 330 A CA -0.617 51.407 52.037 -0.021 0.000 0.821 330 A CB 0.466 19.496 19.000 0.049 0.000 1.170 330 A HN 0.702 nan 8.150 nan 0.000 0.490 331 F N 3.655 123.583 119.950 -0.036 0.000 2.494 331 F HA 0.218 4.745 4.527 -0.000 0.000 0.369 331 F C -1.495 174.381 175.800 0.126 0.000 1.098 331 F CA -1.367 56.650 58.000 0.028 0.000 1.154 331 F CB 1.043 40.039 39.000 -0.007 0.000 1.103 331 F HN 0.354 nan 8.300 nan 0.000 0.549 332 P HA 0.084 nan 4.420 nan 0.000 0.281 332 P C -0.893 176.483 177.300 0.126 0.000 1.252 332 P CA -0.089 63.254 63.100 0.405 0.000 0.778 332 P CB 1.860 33.812 31.700 0.420 0.000 0.895 333 V N 5.538 125.336 119.914 -0.194 0.000 2.383 333 V HA 0.208 4.328 4.120 -0.000 0.000 0.264 333 V C -2.129 173.365 176.094 -1.000 0.000 1.001 333 V CA -1.928 60.089 62.300 -0.471 0.000 0.828 333 V CB 1.366 33.025 31.823 -0.273 0.000 1.069 333 V HN 0.523 nan 8.190 nan 0.000 0.451 334 P HA 0.197 nan 4.420 nan 0.000 0.267 334 P C -0.256 176.706 177.300 -0.564 0.000 1.209 334 P CA 0.562 62.987 63.100 -1.125 0.000 0.763 334 P CB 1.084 32.325 31.700 -0.766 0.000 0.816 335 S N 1.501 116.938 115.700 -0.440 0.000 2.599 335 S HA 0.810 5.280 4.470 -0.000 0.000 0.287 335 S C -0.733 173.798 174.600 -0.116 0.000 1.105 335 S CA -0.170 57.883 58.200 -0.245 0.000 0.899 335 S CB 1.871 64.918 63.200 -0.254 0.000 1.100 335 S HN 0.772 nan 8.310 nan 0.000 0.482 336 A N 0.049 122.831 122.820 -0.063 0.000 2.435 336 A HA 0.433 4.753 4.320 -0.000 0.000 0.686 336 A C 0.924 178.519 177.584 0.018 0.000 0.138 336 A CA 0.112 52.143 52.037 -0.009 0.000 0.024 336 A CB -1.540 17.464 19.000 0.007 0.000 3.974 336 A HN 2.538 nan 8.150 nan 0.000 0.548 337 G N 0.603 109.412 108.800 0.014 0.000 2.189 337 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.267 337 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.267 337 G C 0.325 175.248 174.900 0.039 0.000 0.975 337 G CA 0.462 45.578 45.100 0.026 0.000 0.644 337 G HN 1.970 nan 8.290 nan 0.000 0.537 338 I N 2.858 123.435 120.570 0.012 0.000 2.683 338 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 338 I C 1.064 177.216 176.117 0.058 0.000 1.175 338 I CA 0.161 61.464 61.300 0.005 0.000 1.429 338 I CB -0.366 37.620 38.000 -0.023 0.000 1.371 338 I HN 0.531 nan 8.210 nan 0.000 0.569 339 H N 6.316 125.369 119.070 -0.028 0.000 2.985 339 H HA 0.382 4.938 4.556 -0.000 0.000 0.360 339 H C -2.774 172.441 175.328 -0.189 0.000 1.221 339 H CA -1.961 53.959 56.048 -0.213 0.000 1.121 339 H CB 1.182 30.546 29.762 -0.663 0.000 1.854 339 H HN 0.085 nan 8.280 nan 0.000 0.551 340 P HA -0.133 nan 4.420 nan 0.000 0.217 340 P C 1.654 178.862 177.300 -0.155 0.000 1.151 340 P CA 2.591 65.416 63.100 -0.459 0.000 0.849 340 P CB -0.385 31.057 31.700 -0.429 0.000 0.787 341 G N -1.045 107.768 108.800 0.021 0.000 2.535 341 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 341 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 341 G C 1.191 175.943 174.900 -0.246 0.000 1.122 341 G CA 0.373 45.480 45.100 0.010 0.000 0.769 341 G HN 0.279 nan 8.290 nan 0.000 0.549 342 L N 0.056 120.967 121.223 -0.519 0.000 2.616 342 L HA 0.139 4.479 4.340 -0.000 0.000 0.229 342 L C 2.477 179.169 176.870 -0.296 0.000 1.110 342 L CA -0.264 54.282 54.840 -0.491 0.000 0.884 342 L CB 0.354 42.006 42.059 -0.678 0.000 1.115 342 L HN -0.001 nan 8.230 nan 0.000 0.481 343 V N 1.000 120.828 119.914 -0.143 0.000 2.380 343 V HA -0.194 3.926 4.120 -0.000 0.000 0.251 343 V C -0.221 175.856 176.094 -0.029 0.000 1.063 343 V CA 2.071 64.354 62.300 -0.028 0.000 1.055 343 V CB -1.351 30.499 31.823 0.046 0.000 0.657 343 V HN 0.350 nan 8.190 nan 0.000 0.455 344 P HA -0.121 nan 4.420 nan 0.000 0.215 344 P C 1.951 179.234 177.300 -0.028 0.000 1.157 344 P CA 1.386 64.471 63.100 -0.026 0.000 0.863 344 P CB -0.027 31.655 31.700 -0.029 0.000 0.787 345 L N -1.462 119.704 121.223 -0.095 0.000 2.056 345 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 345 L C 2.416 179.311 176.870 0.042 0.000 1.078 345 L CA 1.261 56.056 54.840 -0.074 0.000 0.749 345 L CB -0.790 41.121 42.059 -0.248 0.000 0.901 345 L HN -0.081 nan 8.230 nan 0.000 0.433 346 I N -0.048 120.533 120.570 0.018 0.000 2.163 346 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 346 I C 2.406 178.698 176.117 0.292 0.000 1.085 346 I CA 1.668 63.143 61.300 0.292 0.000 1.347 346 I CB -0.246 37.863 38.000 0.182 0.000 1.044 346 I HN 0.191 nan 8.210 nan 0.000 0.408 347 I N 0.085 120.747 120.570 0.153 0.000 2.315 347 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 347 I C 2.793 178.972 176.117 0.103 0.000 1.117 347 I CA 1.018 62.400 61.300 0.137 0.000 1.404 347 I CB -0.416 37.638 38.000 0.090 0.000 1.071 347 I HN 0.218 nan 8.210 nan 0.000 0.419 348 R N 1.141 121.681 120.500 0.067 0.000 2.070 348 R HA -0.197 4.143 4.340 -0.000 0.000 0.233 348 R C 1.782 178.074 176.300 -0.013 0.000 1.137 348 R CA 2.154 58.271 56.100 0.029 0.000 0.945 348 R CB -0.163 30.148 30.300 0.019 0.000 0.845 348 R HN 0.287 nan 8.270 nan 0.000 0.430 349 D N -0.636 119.733 120.400 -0.052 0.000 2.123 349 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 349 D C 1.417 177.410 176.300 -0.512 0.000 0.976 349 D CA 1.281 55.088 54.000 -0.322 0.000 0.831 349 D CB -0.044 40.470 40.800 -0.477 0.000 0.974 349 D HN 0.280 nan 8.370 nan 0.000 0.469 350 F N -0.225 119.809 119.950 0.139 0.000 2.720 350 F HA 0.362 4.889 4.527 -0.000 0.000 0.301 350 F C 1.631 177.501 175.800 0.117 0.000 1.103 350 F CA 0.306 58.391 58.000 0.141 0.000 1.291 350 F CB 0.450 39.561 39.000 0.185 0.000 1.086 350 F HN -0.011 nan 8.300 nan 0.000 0.592 351 G N 0.819 109.746 108.800 0.212 0.000 2.632 351 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.224 351 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.224 351 G C 0.562 175.565 174.900 0.172 0.000 1.341 351 G CA -0.180 45.014 45.100 0.156 0.000 0.880 351 G HN 0.134 nan 8.290 nan 0.000 0.566 352 L N -0.174 121.132 121.223 0.139 0.000 2.179 352 L HA 0.153 4.493 4.340 -0.000 0.000 0.208 352 L C 1.012 177.993 176.870 0.185 0.000 1.096 352 L CA 0.773 55.697 54.840 0.140 0.000 0.779 352 L CB -0.201 41.923 42.059 0.109 0.000 0.922 352 L HN 0.369 nan 8.230 nan 0.000 0.443 353 D N 1.034 121.542 120.400 0.180 0.000 2.608 353 D HA 0.149 4.789 4.640 -0.000 0.000 0.224 353 D C 0.187 176.698 176.300 0.351 0.000 1.123 353 D CA 0.431 54.559 54.000 0.214 0.000 1.030 353 D CB 0.390 41.206 40.800 0.026 0.000 1.093 353 D HN 0.021 nan 8.370 nan 0.000 0.497 354 T N -0.297 114.520 114.554 0.438 0.000 2.762 354 T HA 0.648 4.998 4.350 -0.000 0.000 0.301 354 T C -1.429 173.347 174.700 0.127 0.000 1.299 354 T CA -0.606 61.696 62.100 0.336 0.000 1.005 354 T CB 1.024 70.031 68.868 0.232 0.000 1.377 354 T HN 0.027 nan 8.240 nan 0.000 0.504 355 I N 2.003 122.534 120.570 -0.067 0.000 2.533 355 I HA 0.456 4.626 4.170 -0.000 0.000 0.290 355 I C -0.574 175.419 176.117 -0.206 0.000 1.056 355 I CA -1.168 60.002 61.300 -0.217 0.000 1.057 355 I CB 2.345 40.129 38.000 -0.360 0.000 1.240 355 I HN 0.319 nan 8.210 nan 0.000 0.423 356 V N 4.995 124.785 119.914 -0.206 0.000 2.389 356 V HA 0.191 4.311 4.120 -0.000 0.000 0.264 356 V C -0.077 175.797 176.094 -0.366 0.000 1.049 356 V CA -0.254 61.896 62.300 -0.249 0.000 0.932 356 V CB 0.827 32.513 31.823 -0.229 0.000 1.011 356 V HN 0.649 nan 8.190 nan 0.000 0.475 357 N N 3.906 122.404 118.700 -0.336 0.000 2.407 357 N HA 0.735 5.475 4.740 -0.000 0.000 0.277 357 N C -0.733 174.597 175.510 -0.299 0.000 0.995 357 N CA -0.074 52.782 53.050 -0.323 0.000 0.903 357 N CB 1.734 40.054 38.487 -0.279 0.000 1.218 357 N HN 0.850 nan 8.380 nan 0.000 0.487 358 A N 1.536 124.167 122.820 -0.316 0.000 2.520 358 A HA 0.708 5.027 4.320 -0.000 0.000 0.298 358 A C 0.334 177.862 177.584 -0.092 0.000 1.051 358 A CA -0.329 51.586 52.037 -0.204 0.000 0.690 358 A CB 1.302 20.149 19.000 -0.254 0.000 1.281 358 A HN 0.689 nan 8.150 nan 0.000 0.402 359 G N 0.682 109.484 108.800 0.005 0.000 2.797 359 G HA2 0.372 4.332 3.960 -0.000 0.000 0.211 359 G HA3 0.372 4.332 3.960 -0.000 0.000 0.211 359 G C 1.236 176.245 174.900 0.182 0.000 1.236 359 G CA 1.070 46.244 45.100 0.124 0.000 0.833 359 G HN 1.425 nan 8.290 nan 0.000 0.624 360 G N 0.772 109.639 108.800 0.111 0.000 2.448 360 G HA2 0.132 4.092 3.960 -0.000 0.000 0.219 360 G HA3 0.132 4.092 3.960 -0.000 0.000 0.219 360 G C 1.668 176.606 174.900 0.063 0.000 1.127 360 G CA 1.445 46.615 45.100 0.117 0.000 0.766 360 G HN 0.651 nan 8.290 nan 0.000 0.552 361 G N 0.299 109.069 108.800 -0.051 0.000 2.509 361 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.218 361 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.218 361 G C 1.472 176.540 174.900 0.279 0.000 1.124 361 G CA 0.540 45.563 45.100 -0.128 0.000 0.776 361 G HN 0.349 nan 8.290 nan 0.000 0.547 362 I N -0.052 120.639 120.570 0.202 0.000 2.594 362 I HA 0.060 4.230 4.170 -0.000 0.000 0.237 362 I C 2.313 178.453 176.117 0.039 0.000 1.071 362 I CA 0.692 62.044 61.300 0.087 0.000 1.427 362 I CB -1.259 36.606 38.000 -0.225 0.000 1.218 362 I HN 0.155 nan 8.210 nan 0.000 0.444 363 H N 0.723 119.899 119.070 0.176 0.000 2.421 363 H HA -0.026 4.530 4.556 -0.000 0.000 0.298 363 H C 2.001 177.459 175.328 0.217 0.000 1.087 363 H CA 1.390 57.537 56.048 0.165 0.000 1.330 363 H CB -0.334 29.505 29.762 0.128 0.000 1.388 363 H HN 0.357 nan 8.280 nan 0.000 0.526 364 G N 0.287 109.315 108.800 0.379 0.000 2.920 364 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.208 364 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.208 364 G C 0.584 175.736 174.900 0.421 0.000 1.159 364 G CA -0.233 45.104 45.100 0.396 0.000 0.784 364 G HN 0.355 nan 8.290 nan 0.000 0.535 365 H N 1.162 120.431 119.070 0.333 0.000 2.764 365 H HA 0.109 4.665 4.556 -0.000 0.000 0.341 365 H C -1.400 173.910 175.328 -0.030 0.000 1.072 365 H CA -1.402 54.729 56.048 0.137 0.000 1.444 365 H CB 1.861 31.716 29.762 0.154 0.000 1.458 365 H HN -0.066 nan 8.280 nan 0.000 0.572 366 P HA -0.161 nan 4.420 nan 0.000 0.217 366 P C 0.613 177.976 177.300 0.103 0.000 1.148 366 P CA 1.356 64.354 63.100 -0.171 0.000 0.828 366 P CB 0.213 31.655 31.700 -0.429 0.000 0.783 367 H N -1.802 117.488 119.070 0.367 0.000 2.539 367 H HA 0.370 4.926 4.556 -0.000 0.000 0.269 367 H C 1.471 176.861 175.328 0.104 0.000 0.980 367 H CA 0.775 56.927 56.048 0.173 0.000 1.152 367 H CB -0.387 29.432 29.762 0.095 0.000 1.407 367 H HN 0.094 nan 8.280 nan 0.000 0.564 368 G N -0.141 108.808 108.800 0.249 0.000 2.631 368 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.504 368 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.504 368 G C 1.084 176.038 174.900 0.090 0.000 1.306 368 G CA 0.155 45.349 45.100 0.158 0.000 0.897 368 G HN 0.393 nan 8.290 nan 0.000 0.520 369 A N -0.561 122.283 122.820 0.040 0.000 1.917 369 A HA 0.000 4.320 4.320 -0.000 0.000 0.219 369 A C 2.575 180.107 177.584 -0.087 0.000 1.182 369 A CA 2.517 54.503 52.037 -0.086 0.000 0.633 369 A CB -0.495 18.427 19.000 -0.131 0.000 0.819 369 A HN 1.053 nan 8.150 nan 0.000 0.448 370 I N -0.576 119.958 120.570 -0.059 0.000 2.179 370 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 370 I C 2.732 178.790 176.117 -0.100 0.000 1.088 370 I CA 1.220 62.479 61.300 -0.068 0.000 1.357 370 I CB -0.825 37.145 38.000 -0.050 0.000 1.051 370 I HN 0.407 nan 8.210 nan 0.000 0.409 371 G N 0.555 109.277 108.800 -0.130 0.000 2.432 371 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 371 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 371 G C 1.699 176.224 174.900 -0.624 0.000 1.135 371 G CA 0.826 45.736 45.100 -0.316 0.000 0.767 371 G HN 0.505 nan 8.290 nan 0.000 0.550 372 G N 0.835 109.398 108.800 -0.395 0.000 2.421 372 G HA2 0.035 3.995 3.960 -0.000 0.000 0.216 372 G HA3 0.035 3.995 3.960 -0.000 0.000 0.216 372 G C 1.761 176.718 174.900 0.094 0.000 1.171 372 G CA 1.368 46.420 45.100 -0.080 0.000 0.775 372 G HN 0.560 nan 8.290 nan 0.000 0.543 373 G N 0.325 109.147 108.800 0.037 0.000 2.402 373 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 373 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 373 G C 1.941 176.886 174.900 0.076 0.000 1.162 373 G CA 0.599 45.752 45.100 0.089 0.000 0.777 373 G HN 0.244 nan 8.290 nan 0.000 0.539 374 R N 0.909 121.403 120.500 -0.010 0.000 2.094 374 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 374 R C 2.988 179.296 176.300 0.013 0.000 1.137 374 R CA 1.543 57.637 56.100 -0.010 0.000 0.943 374 R CB -1.212 29.064 30.300 -0.040 0.000 0.850 374 R HN 0.340 nan 8.270 nan 0.000 0.433 375 A N 0.486 123.292 122.820 -0.023 0.000 1.883 375 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 375 A C 2.242 179.807 177.584 -0.031 0.000 1.186 375 A CA 1.432 53.457 52.037 -0.020 0.000 0.624 375 A CB -0.812 18.189 19.000 0.001 0.000 0.822 375 A HN 0.264 nan 8.150 nan 0.000 0.444 376 F N -0.351 119.620 119.950 0.035 0.000 2.102 376 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 376 F C 2.689 178.489 175.800 0.001 0.000 1.105 376 F CA 1.480 59.488 58.000 0.013 0.000 1.239 376 F CB -0.078 38.911 39.000 -0.017 0.000 0.991 376 F HN 0.062 nan 8.300 nan 0.000 0.474 377 R N 0.303 120.914 120.500 0.185 0.000 2.096 377 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 377 R C 2.252 178.594 176.300 0.071 0.000 1.127 377 R CA 1.194 57.355 56.100 0.101 0.000 0.968 377 R CB -1.406 28.930 30.300 0.061 0.000 0.861 377 R HN 0.329 nan 8.270 nan 0.000 0.440 378 A N 0.919 123.773 122.820 0.057 0.000 1.898 378 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 378 A C 2.382 179.989 177.584 0.038 0.000 1.181 378 A CA 1.590 53.650 52.037 0.038 0.000 0.620 378 A CB -0.565 18.451 19.000 0.027 0.000 0.819 378 A HN 0.310 nan 8.150 nan 0.000 0.442 379 A N 0.173 123.017 122.820 0.039 0.000 1.883 379 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 379 A C 2.115 179.730 177.584 0.052 0.000 1.186 379 A CA 1.603 53.660 52.037 0.033 0.000 0.624 379 A CB -0.658 18.349 19.000 0.012 0.000 0.822 379 A HN 0.504 nan 8.150 nan 0.000 0.444 380 I N -0.187 120.430 120.570 0.079 0.000 2.226 380 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 380 I C 1.763 177.913 176.117 0.054 0.000 1.100 380 I CA 1.495 62.839 61.300 0.073 0.000 1.374 380 I CB -0.512 37.536 38.000 0.080 0.000 1.057 380 I HN 0.261 nan 8.210 nan 0.000 0.413 381 D N 1.099 121.528 120.400 0.048 0.000 2.144 381 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 381 D C 2.267 178.587 176.300 0.034 0.000 0.978 381 D CA 1.419 55.443 54.000 0.039 0.000 0.833 381 D CB -0.117 40.704 40.800 0.035 0.000 0.961 381 D HN 0.323 nan 8.370 nan 0.000 0.470 382 A N 0.817 123.656 122.820 0.031 0.000 1.865 382 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 382 A C 2.563 180.162 177.584 0.026 0.000 1.191 382 A CA 1.491 53.543 52.037 0.025 0.000 0.623 382 A CB -0.929 18.084 19.000 0.021 0.000 0.826 382 A HN 0.131 nan 8.150 nan 0.000 0.444 383 V N 0.302 120.234 119.914 0.029 0.000 2.282 383 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 383 V C 2.562 178.675 176.094 0.033 0.000 1.057 383 V CA 2.090 64.408 62.300 0.030 0.000 1.032 383 V CB -0.800 31.044 31.823 0.035 0.000 0.645 383 V HN 0.566 nan 8.190 nan 0.000 0.447 384 L N -0.079 121.166 121.223 0.038 0.000 2.201 384 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 384 L C 2.474 179.363 176.870 0.031 0.000 1.105 384 L CA 1.358 56.221 54.840 0.038 0.000 0.775 384 L CB -0.644 41.441 42.059 0.043 0.000 0.913 384 L HN 0.384 nan 8.230 nan 0.000 0.440 385 A N -0.492 122.344 122.820 0.028 0.000 2.208 385 A HA 0.238 4.558 4.320 -0.000 0.000 0.209 385 A C 1.776 179.372 177.584 0.020 0.000 1.161 385 A CA 0.774 52.825 52.037 0.023 0.000 0.782 385 A CB -0.383 18.629 19.000 0.021 0.000 0.816 385 A HN 0.513 nan 8.150 nan 0.000 0.477 386 G N -0.127 108.686 108.800 0.021 0.000 2.143 386 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 386 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 386 G C 0.194 175.104 174.900 0.016 0.000 0.991 386 G CA 0.422 45.533 45.100 0.019 0.000 0.689 386 G HN 1.121 nan 8.290 nan 0.000 0.522 387 R N -0.542 119.968 120.500 0.016 0.000 2.604 387 R HA 0.701 5.041 4.340 -0.000 0.000 0.287 387 R C -2.945 173.363 176.300 0.012 0.000 0.970 387 R CA -2.192 53.916 56.100 0.013 0.000 0.946 387 R CB 1.292 31.600 30.300 0.013 0.000 1.127 387 R HN 0.037 nan 8.270 nan 0.000 0.473 388 P HA -0.027 nan 4.420 nan 0.000 0.265 388 P C 0.321 177.627 177.300 0.009 0.000 1.193 388 P CA -0.262 62.843 63.100 0.009 0.000 0.765 388 P CB 0.442 32.147 31.700 0.008 0.000 0.823 389 L N 3.230 124.458 121.223 0.009 0.000 2.127 389 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 389 L C 2.265 179.140 176.870 0.008 0.000 1.089 389 L CA 1.827 56.672 54.840 0.009 0.000 0.757 389 L CB -0.785 41.279 42.059 0.008 0.000 0.899 389 L HN 0.383 nan 8.230 nan 0.000 0.434 390 R N -1.283 119.221 120.500 0.007 0.000 2.189 390 R HA -0.068 4.272 4.340 -0.000 0.000 0.223 390 R C 2.209 178.511 176.300 0.004 0.000 1.092 390 R CA 0.918 57.020 56.100 0.004 0.000 0.989 390 R CB -0.326 29.977 30.300 0.003 0.000 0.876 390 R HN 0.404 nan 8.270 nan 0.000 0.457 391 A N 1.129 123.953 122.820 0.006 0.000 1.840 391 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 391 A C 2.335 179.923 177.584 0.007 0.000 1.198 391 A CA 1.428 53.469 52.037 0.006 0.000 0.608 391 A CB -0.722 18.282 19.000 0.007 0.000 0.839 391 A HN 0.343 nan 8.150 nan 0.000 0.443 392 A N -0.170 122.655 122.820 0.009 0.000 1.972 392 A HA 0.158 4.478 4.320 -0.000 0.000 0.219 392 A C 2.427 180.018 177.584 0.011 0.000 1.169 392 A CA 2.018 54.062 52.037 0.011 0.000 0.635 392 A CB -0.947 18.061 19.000 0.014 0.000 0.810 392 A HN 1.100 nan 8.150 nan 0.000 0.446 393 A N -0.105 122.721 122.820 0.010 0.000 1.978 393 A HA 0.136 4.456 4.320 -0.000 0.000 0.220 393 A C 2.431 180.020 177.584 0.009 0.000 1.170 393 A CA 1.928 53.971 52.037 0.010 0.000 0.636 393 A CB -0.868 18.134 19.000 0.004 0.000 0.810 393 A HN 1.072 nan 8.150 nan 0.000 0.448 394 A N 0.577 123.401 122.820 0.006 0.000 1.972 394 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 394 A C 1.729 179.318 177.584 0.007 0.000 1.169 394 A CA 1.505 53.545 52.037 0.005 0.000 0.635 394 A CB -0.393 18.608 19.000 0.003 0.000 0.810 394 A HN 0.751 nan 8.150 nan 0.000 0.446 395 E N -1.052 119.153 120.200 0.009 0.000 2.499 395 E HA 0.123 4.473 4.350 -0.000 0.000 0.199 395 E C -0.284 176.323 176.600 0.013 0.000 1.016 395 E CA -0.336 56.069 56.400 0.009 0.000 0.933 395 E CB -0.066 29.639 29.700 0.008 0.000 1.050 395 E HN 0.396 nan 8.360 nan 0.000 0.462 396 N N 1.549 120.259 118.700 0.017 0.000 2.594 396 N HA -0.003 4.737 4.740 -0.000 0.000 0.280 396 N C 0.200 175.733 175.510 0.039 0.000 1.156 396 N CA 0.041 53.106 53.050 0.024 0.000 0.831 396 N CB 1.915 40.416 38.487 0.023 0.000 1.379 396 N HN -0.018 nan 8.380 nan 0.000 0.536 397 E N 3.607 123.837 120.200 0.051 0.000 2.048 397 E HA -0.179 4.171 4.350 -0.000 0.000 0.202 397 E C 1.628 178.313 176.600 0.142 0.000 1.021 397 E CA 2.408 58.863 56.400 0.091 0.000 0.825 397 E CB -0.085 29.674 29.700 0.099 0.000 0.756 397 E HN 0.660 nan 8.360 nan 0.000 0.454 398 A N 0.290 123.203 122.820 0.155 0.000 1.883 398 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 398 A C 2.285 179.974 177.584 0.174 0.000 1.186 398 A CA 1.807 53.955 52.037 0.185 0.000 0.624 398 A CB -0.969 18.064 19.000 0.055 0.000 0.822 398 A HN 0.417 nan 8.150 nan 0.000 0.444 399 L N -0.613 120.661 121.223 0.085 0.000 2.083 399 L HA -0.162 4.177 4.340 -0.000 0.000 0.209 399 L C 2.430 179.318 176.870 0.030 0.000 1.083 399 L CA 2.678 57.549 54.840 0.052 0.000 0.752 399 L CB -0.719 41.355 42.059 0.025 0.000 0.899 399 L HN 0.486 nan 8.230 nan 0.000 0.433 400 Q N -0.083 119.730 119.800 0.023 0.000 2.030 400 Q HA -0.215 4.124 4.340 -0.000 0.000 0.204 400 Q C 2.110 178.069 176.000 -0.069 0.000 0.986 400 Q CA 1.888 57.684 55.803 -0.012 0.000 0.843 400 Q CB -0.182 28.557 28.738 0.001 0.000 0.904 400 Q HN 0.336 nan 8.270 nan 0.000 0.420 401 K N -0.007 120.339 120.400 -0.090 0.000 2.147 401 K HA -0.058 4.262 4.320 -0.000 0.000 0.205 401 K C 1.927 178.267 176.600 -0.435 0.000 1.049 401 K CA 1.124 57.243 56.287 -0.280 0.000 0.936 401 K CB -0.577 31.680 32.500 -0.404 0.000 0.722 401 K HN 0.330 nan 8.250 nan 0.000 0.446 402 A N 1.605 124.277 122.820 -0.247 0.000 1.855 402 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 402 A C 2.280 179.788 177.584 -0.127 0.000 1.191 402 A CA 1.207 53.126 52.037 -0.197 0.000 0.613 402 A CB -0.586 18.482 19.000 0.114 0.000 0.829 402 A HN 0.191 nan 8.150 nan 0.000 0.442 403 I N 0.083 120.622 120.570 -0.050 0.000 2.286 403 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 403 I C 1.594 177.656 176.117 -0.092 0.000 1.115 403 I CA 1.432 62.721 61.300 -0.017 0.000 1.392 403 I CB -0.523 37.473 38.000 -0.006 0.000 1.065 403 I HN 0.266 nan 8.210 nan 0.000 0.418 404 D N 0.448 120.749 120.400 -0.166 0.000 2.178 404 D HA -0.168 4.472 4.640 -0.000 0.000 0.202 404 D C 2.216 178.351 176.300 -0.276 0.000 0.974 404 D CA 0.963 54.852 54.000 -0.186 0.000 0.841 404 D CB -0.156 40.530 40.800 -0.190 0.000 0.953 404 D HN 0.179 nan 8.370 nan 0.000 0.478 405 R N -0.262 119.959 120.500 -0.465 0.000 2.080 405 R HA -0.023 4.317 4.340 -0.000 0.000 0.222 405 R C 1.325 177.224 176.300 -0.669 0.000 1.107 405 R CA 1.114 56.771 56.100 -0.739 0.000 0.980 405 R CB -0.377 29.122 30.300 -1.335 0.000 0.879 405 R HN 0.169 nan 8.270 nan 0.000 0.439 406 W N 0.277 121.431 121.300 -0.243 0.000 2.871 406 W HA 0.531 5.191 4.660 -0.000 0.000 0.340 406 W C 0.375 176.739 176.519 -0.258 0.000 1.058 406 W CA 0.303 57.413 57.345 -0.391 0.000 1.633 406 W CB -0.441 28.530 29.460 -0.814 0.000 1.067 406 W HN 0.367 nan 8.180 nan 0.000 0.554 407 G N 1.268 110.104 108.800 0.060 0.000 2.828 407 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.463 407 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.463 407 G C -1.245 173.764 174.900 0.182 0.000 1.394 407 G CA -0.263 44.891 45.100 0.089 0.000 0.862 407 G HN 0.418 nan 8.290 nan 0.000 0.540 408 V N -1.207 118.781 119.914 0.124 0.000 3.120 408 V HA 0.706 4.826 4.120 -0.000 0.000 0.303 408 V C -0.759 175.368 176.094 0.055 0.000 1.238 408 V CA -0.225 62.134 62.300 0.099 0.000 1.008 408 V CB 2.231 34.088 31.823 0.056 0.000 1.064 408 V HN 1.572 nan 8.190 nan 0.000 0.434 409 V N 5.754 125.679 119.914 0.019 0.000 2.325 409 V HA 0.511 4.631 4.120 -0.000 0.000 0.280 409 V C 0.023 176.113 176.094 -0.007 0.000 1.016 409 V CA -0.637 61.666 62.300 0.006 0.000 0.818 409 V CB 1.147 32.964 31.823 -0.010 0.000 1.019 409 V HN 0.901 nan 8.190 nan 0.000 0.434 410 E N 2.897 123.099 120.200 0.004 0.000 2.383 410 E HA 0.375 4.725 4.350 -0.000 0.000 0.264 410 E C -0.696 175.905 176.600 0.003 0.000 1.050 410 E CA -0.099 56.303 56.400 0.003 0.000 0.896 410 E CB 2.315 32.019 29.700 0.007 0.000 0.982 410 E HN 0.366 nan 8.360 nan 0.000 0.424 411 V N 2.991 122.907 119.914 0.003 0.000 2.488 411 V HA 0.076 4.196 4.120 -0.000 0.000 0.293 411 V C 0.034 176.133 176.094 0.009 0.000 1.027 411 V CA -0.734 61.570 62.300 0.006 0.000 0.862 411 V CB 1.491 33.317 31.823 0.005 0.000 1.008 411 V HN 0.537 nan 8.190 nan 0.000 0.428 412 E N 2.931 123.137 120.200 0.009 0.000 2.529 412 E HA 0.278 4.628 4.350 -0.000 0.000 0.259 412 E C 0.624 177.231 176.600 0.011 0.000 0.966 412 E CA 0.228 56.634 56.400 0.009 0.000 0.937 412 E CB 1.164 30.869 29.700 0.009 0.000 0.923 412 E HN 0.828 nan 8.360 nan 0.000 0.468 413 A N 0.000 122.827 122.820 0.012 0.000 2.254 413 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 413 A CA 0.000 52.045 52.037 0.013 0.000 0.836 413 A CB 0.000 19.009 19.000 0.014 0.000 0.831 413 A HN 0.000 nan 8.150 nan 0.000 0.486