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 1occ_1_N DATA FIRST_RESID 1 DATA SEQUENCE MFINRWLFST NHKDIGTLYL LFGAWAGMVG TALSLLIRAE LGQPGTLLGD DATA SEQUENCE DQIYNVVVTA HAFVMIFFMV MPIMIGGFGN WLVPLMIGAP DMAFPRMNNM DATA SEQUENCE SFWLLPPSFL LLLASSMVEA GAGTGWTVYP PLAGNLAHAG ASVDLTIFSL DATA SEQUENCE HLAGVSSILG AINFITTIIN MKPPAMSQYQ TPLFVWSVMI TAVLLLLSLP DATA SEQUENCE VLAAGITMLL TDRNLNTTFF DPAGGGDPIL YQHLFWFFGH PEVYILILPG DATA SEQUENCE FGMISHIVTY YSGKKEPFGY MGMVWAMMSI GFLGFIVWAH HMFTVGMDVD DATA SEQUENCE TRAYFTSATM IIAIPTGVKV FSWLATLHGG NIKWSPAMMW ALGFIFLFTV DATA SEQUENCE GGLTGIVLAN SSLDIVLHDT YYVVAHFHYV LSMGAVFAIM GGFVHWFPLF DATA SEQUENCE SGYTLNDTWA KIHFAIMFVG VNMTFFPQHF LGLSGMPRRY SDYPDAYTMW DATA SEQUENCE NTISSMGSFI SLTAVMLMVF IIWEAFASKR EVLTVDLTTT NLEWLNGCPP DATA SEQUENCE PYHTFEEPTY VNLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 F N 2.813 122.756 119.950 -0.011 0.000 2.102 2 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 2 F C 2.013 177.835 175.800 0.037 0.000 1.105 2 F CA 1.866 59.930 58.000 0.108 0.000 1.239 2 F CB -0.080 38.980 39.000 0.100 0.000 0.991 2 F HN 0.141 nan 8.300 nan 0.000 0.474 3 I N 1.079 121.691 120.570 0.071 0.000 2.069 3 I HA -0.373 3.797 4.170 -0.000 0.000 0.237 3 I C 2.001 177.777 176.117 -0.568 0.000 1.053 3 I CA 1.916 63.045 61.300 -0.285 0.000 1.311 3 I CB -1.815 35.932 38.000 -0.421 0.000 1.030 3 I HN 0.208 nan 8.210 nan 0.000 0.398 4 N N 0.244 118.668 118.700 -0.459 0.000 2.192 4 N HA -0.229 4.511 4.740 -0.000 0.000 0.188 4 N C 1.960 177.320 175.510 -0.248 0.000 1.013 4 N CA 1.363 54.231 53.050 -0.303 0.000 0.863 4 N CB -0.248 38.165 38.487 -0.124 0.000 0.990 4 N HN 0.327 nan 8.380 nan 0.000 0.430 5 R N -0.836 119.446 120.500 -0.363 0.000 2.066 5 R HA -0.000 4.340 4.340 -0.000 0.000 0.224 5 R C 1.142 176.955 176.300 -0.813 0.000 1.122 5 R CA 1.099 56.837 56.100 -0.603 0.000 0.974 5 R CB -0.106 29.728 30.300 -0.776 0.000 0.871 5 R HN 0.290 nan 8.270 nan 0.000 0.435 6 W N -0.342 120.734 121.300 -0.374 0.000 2.812 6 W HA 0.236 4.896 4.660 -0.000 0.000 0.263 6 W C 1.467 177.979 176.519 -0.011 0.000 1.284 6 W CA -0.190 56.963 57.345 -0.319 0.000 1.430 6 W CB 0.413 29.431 29.460 -0.737 0.000 1.088 6 W HN 0.029 nan 8.180 nan 0.000 0.623 7 L N -1.522 119.732 121.223 0.053 0.000 2.537 7 L HA 0.162 4.502 4.340 -0.000 0.000 0.224 7 L C 0.709 177.800 176.870 0.368 0.000 1.065 7 L CA 0.458 55.367 54.840 0.115 0.000 0.860 7 L CB -0.234 41.724 42.059 -0.168 0.000 1.086 7 L HN -0.112 nan 8.230 nan 0.000 0.482 8 F N 0.058 119.991 119.950 -0.028 0.000 2.772 8 F HA 0.294 4.821 4.527 -0.000 0.000 0.302 8 F C 1.356 177.138 175.800 -0.030 0.000 1.136 8 F CA -1.136 56.842 58.000 -0.037 0.000 1.322 8 F CB -0.758 38.209 39.000 -0.054 0.000 0.967 8 F HN -0.183 nan 8.300 nan 0.000 0.513 9 S N 0.966 116.749 115.700 0.139 0.000 2.569 9 S HA 0.224 4.694 4.470 -0.000 0.000 0.274 9 S C 1.078 175.689 174.600 0.017 0.000 1.353 9 S CA 0.940 59.142 58.200 0.004 0.000 1.023 9 S CB 0.374 63.509 63.200 -0.108 0.000 0.876 9 S HN 0.516 nan 8.310 nan 0.000 0.540 10 T N 0.189 114.715 114.554 -0.047 0.000 3.769 10 T HA 0.259 4.609 4.350 -0.000 0.000 0.317 10 T C -0.649 173.968 174.700 -0.138 0.000 0.931 10 T CA -0.667 61.407 62.100 -0.045 0.000 1.005 10 T CB -0.762 68.107 68.868 0.001 0.000 1.202 10 T HN 0.487 nan 8.240 nan 0.000 0.501 11 N N 1.949 120.490 118.700 -0.265 0.000 2.407 11 N HA 0.270 5.010 4.740 -0.000 0.000 0.277 11 N C 1.370 176.607 175.510 -0.455 0.000 0.995 11 N CA -0.696 52.062 53.050 -0.488 0.000 0.903 11 N CB 0.977 38.937 38.487 -0.879 0.000 1.218 11 N HN 0.362 nan 8.380 nan 0.000 0.487 12 H N 3.531 122.356 119.070 -0.409 0.000 2.387 12 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 12 H C 0.383 175.365 175.328 -0.577 0.000 1.099 12 H CA 1.448 57.268 56.048 -0.379 0.000 1.315 12 H CB 0.256 29.844 29.762 -0.290 0.000 1.380 12 H HN 0.506 nan 8.280 nan 0.000 0.513 13 K N 0.439 119.969 120.400 -1.449 0.000 2.025 13 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 13 K C 1.954 177.865 176.600 -1.148 0.000 1.049 13 K CA 1.411 56.658 56.287 -1.734 0.000 0.933 13 K CB 0.115 31.588 32.500 -1.711 0.000 0.714 13 K HN 0.235 nan 8.250 nan 0.000 0.438 14 D N 1.034 120.984 120.400 -0.750 0.000 2.144 14 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 14 D C 1.918 178.052 176.300 -0.276 0.000 0.978 14 D CA 0.953 54.691 54.000 -0.436 0.000 0.833 14 D CB -0.150 40.242 40.800 -0.680 0.000 0.961 14 D HN 0.157 nan 8.370 nan 0.000 0.470 15 I N 0.872 121.240 120.570 -0.337 0.000 2.202 15 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 15 I C 2.549 178.562 176.117 -0.172 0.000 1.091 15 I CA 1.289 62.427 61.300 -0.271 0.000 1.368 15 I CB -0.481 37.437 38.000 -0.136 0.000 1.058 15 I HN 0.012 nan 8.210 nan 0.000 0.410 16 G N 0.153 108.844 108.800 -0.181 0.000 2.442 16 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 16 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 16 G C 1.656 176.589 174.900 0.056 0.000 1.141 16 G CA 1.503 46.578 45.100 -0.042 0.000 0.763 16 G HN 0.300 nan 8.290 nan 0.000 0.554 17 T N 1.069 115.622 114.554 -0.001 0.000 2.812 17 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 17 T C 2.268 176.970 174.700 0.004 0.000 1.042 17 T CA 0.608 62.808 62.100 0.167 0.000 1.140 17 T CB -0.167 68.874 68.868 0.289 0.000 0.870 17 T HN 0.037 nan 8.240 nan 0.000 0.445 18 L N 0.314 121.429 121.223 -0.180 0.000 2.042 18 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 18 L C 2.046 178.597 176.870 -0.531 0.000 1.076 18 L CA 1.617 56.123 54.840 -0.557 0.000 0.749 18 L CB -1.213 40.128 42.059 -1.197 0.000 0.893 18 L HN 0.307 nan 8.230 nan 0.000 0.432 19 Y N -0.697 119.388 120.300 -0.359 0.000 2.089 19 Y HA -0.238 4.312 4.550 -0.000 0.000 0.282 19 Y C 2.481 178.452 175.900 0.118 0.000 1.139 19 Y CA 1.520 59.616 58.100 -0.007 0.000 1.123 19 Y CB -0.598 37.878 38.460 0.026 0.000 0.980 19 Y HN 0.044 nan 8.280 nan 0.000 0.493 20 L N -0.650 120.699 121.223 0.209 0.000 2.081 20 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 20 L C 2.323 179.300 176.870 0.177 0.000 1.080 20 L CA 1.252 56.178 54.840 0.143 0.000 0.754 20 L CB -0.777 41.320 42.059 0.065 0.000 0.893 20 L HN 0.307 nan 8.230 nan 0.000 0.433 21 L N -1.526 119.793 121.223 0.159 0.000 2.027 21 L HA -0.235 4.105 4.340 -0.000 0.000 0.206 21 L C 2.564 179.582 176.870 0.247 0.000 1.074 21 L CA 1.330 56.265 54.840 0.159 0.000 0.745 21 L CB -0.477 41.623 42.059 0.069 0.000 0.898 21 L HN 0.179 nan 8.230 nan 0.000 0.433 22 F N 0.803 120.848 119.950 0.159 0.000 2.075 22 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 22 F C 2.277 178.251 175.800 0.289 0.000 1.113 22 F CA 1.725 59.869 58.000 0.239 0.000 1.218 22 F CB -0.594 38.595 39.000 0.316 0.000 0.984 22 F HN -0.004 nan 8.300 nan 0.000 0.472 23 G N -0.310 108.765 108.800 0.459 0.000 2.440 23 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 23 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 23 G C 1.794 176.791 174.900 0.162 0.000 1.154 23 G CA 0.939 46.216 45.100 0.295 0.000 0.767 23 G HN 0.632 nan 8.290 nan 0.000 0.552 24 A N -0.067 122.843 122.820 0.150 0.000 1.877 24 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 24 A C 2.180 179.845 177.584 0.135 0.000 1.186 24 A CA 1.647 53.740 52.037 0.094 0.000 0.620 24 A CB -0.845 18.201 19.000 0.077 0.000 0.822 24 A HN 0.554 nan 8.150 nan 0.000 0.443 25 W N 0.518 121.807 121.300 -0.019 0.000 2.335 25 W HA -0.152 4.508 4.660 -0.000 0.000 0.311 25 W C 2.525 179.028 176.519 -0.027 0.000 1.213 25 W CA 2.470 59.799 57.345 -0.027 0.000 1.274 25 W CB -0.193 29.241 29.460 -0.044 0.000 1.148 25 W HN 0.364 nan 8.180 nan 0.000 0.498 26 A N 0.407 123.363 122.820 0.228 0.000 1.978 26 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 26 A C 2.172 179.760 177.584 0.007 0.000 1.170 26 A CA 1.929 54.017 52.037 0.085 0.000 0.636 26 A CB -1.694 17.221 19.000 -0.142 0.000 0.810 26 A HN 0.436 nan 8.150 nan 0.000 0.448 27 G N -1.132 107.677 108.800 0.016 0.000 2.448 27 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 27 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 27 G C 1.435 176.312 174.900 -0.038 0.000 1.127 27 G CA 1.192 46.296 45.100 0.007 0.000 0.766 27 G HN 0.365 nan 8.290 nan 0.000 0.552 28 M N 0.423 119.947 119.600 -0.126 0.000 2.123 28 M HA 0.027 4.507 4.480 -0.000 0.000 0.263 28 M C 2.807 178.994 176.300 -0.189 0.000 1.069 28 M CA 0.708 55.897 55.300 -0.185 0.000 1.133 28 M CB -1.234 31.179 32.600 -0.311 0.000 1.356 28 M HN 0.099 nan 8.290 nan 0.000 0.415 29 V N 0.690 120.444 119.914 -0.266 0.000 2.282 29 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 29 V C 2.664 178.760 176.094 0.004 0.000 1.057 29 V CA 2.215 64.421 62.300 -0.157 0.000 1.032 29 V CB -1.925 29.857 31.823 -0.068 0.000 0.645 29 V HN 0.591 nan 8.190 nan 0.000 0.447 30 G N -0.763 108.072 108.800 0.057 0.000 2.432 30 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 30 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 30 G C 1.667 176.665 174.900 0.163 0.000 1.135 30 G CA 1.486 46.669 45.100 0.138 0.000 0.767 30 G HN 0.489 nan 8.290 nan 0.000 0.550 31 T N 1.539 116.136 114.554 0.072 0.000 2.777 31 T HA 0.075 4.425 4.350 -0.000 0.000 0.266 31 T C 2.839 177.538 174.700 -0.003 0.000 1.040 31 T CA 1.332 63.461 62.100 0.048 0.000 1.141 31 T CB -0.323 68.549 68.868 0.007 0.000 0.868 31 T HN 0.362 nan 8.240 nan 0.000 0.444 32 A N 1.464 124.267 122.820 -0.029 0.000 1.883 32 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 32 A C 2.291 179.856 177.584 -0.031 0.000 1.186 32 A CA 1.299 53.306 52.037 -0.051 0.000 0.624 32 A CB -0.916 18.046 19.000 -0.064 0.000 0.822 32 A HN 0.478 nan 8.150 nan 0.000 0.444 33 L N 0.499 121.730 121.223 0.014 0.000 2.083 33 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 33 L C 2.949 179.776 176.870 -0.071 0.000 1.083 33 L CA 1.600 56.451 54.840 0.017 0.000 0.752 33 L CB -0.548 41.576 42.059 0.109 0.000 0.899 33 L HN 0.593 nan 8.230 nan 0.000 0.433 34 S N -0.397 115.255 115.700 -0.080 0.000 2.423 34 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 34 S C 1.878 176.384 174.600 -0.157 0.000 1.014 34 S CA 0.757 58.803 58.200 -0.258 0.000 0.965 34 S CB -0.452 62.684 63.200 -0.108 0.000 0.785 34 S HN 0.285 nan 8.310 nan 0.000 0.495 35 L N 0.529 121.676 121.223 -0.125 0.000 2.131 35 L HA 0.222 4.562 4.340 -0.000 0.000 0.206 35 L C 2.402 179.230 176.870 -0.069 0.000 1.087 35 L CA 0.782 55.523 54.840 -0.165 0.000 0.767 35 L CB -0.355 41.547 42.059 -0.260 0.000 0.917 35 L HN 0.282 nan 8.230 nan 0.000 0.441 36 L N -0.934 120.270 121.223 -0.033 0.000 2.093 36 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 36 L C 2.348 179.269 176.870 0.085 0.000 1.085 36 L CA 1.229 56.089 54.840 0.032 0.000 0.755 36 L CB -0.399 41.675 42.059 0.025 0.000 0.904 36 L HN 0.212 nan 8.230 nan 0.000 0.435 37 I N -0.642 119.945 120.570 0.029 0.000 2.127 37 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 37 I C 2.591 178.822 176.117 0.189 0.000 1.075 37 I CA 1.119 62.491 61.300 0.119 0.000 1.334 37 I CB -0.343 37.626 38.000 -0.053 0.000 1.040 37 I HN 0.239 nan 8.210 nan 0.000 0.405 38 R N 0.867 121.418 120.500 0.085 0.000 2.189 38 R HA 0.031 4.371 4.340 -0.000 0.000 0.218 38 R C 2.176 178.576 176.300 0.167 0.000 1.074 38 R CA 1.130 57.296 56.100 0.109 0.000 0.991 38 R CB -0.942 29.389 30.300 0.051 0.000 0.883 38 R HN 0.390 nan 8.270 nan 0.000 0.457 39 A N 1.080 124.001 122.820 0.169 0.000 1.898 39 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 39 A C 2.136 179.816 177.584 0.159 0.000 1.181 39 A CA 1.616 53.773 52.037 0.199 0.000 0.620 39 A CB -0.299 18.806 19.000 0.174 0.000 0.819 39 A HN 0.247 nan 8.150 nan 0.000 0.442 40 E N 0.250 120.553 120.200 0.171 0.000 2.110 40 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 40 E C 1.471 178.136 176.600 0.108 0.000 0.988 40 E CA 1.205 57.689 56.400 0.140 0.000 0.804 40 E CB -0.332 29.504 29.700 0.228 0.000 0.745 40 E HN 0.578 nan 8.360 nan 0.000 0.458 41 L N -0.848 120.476 121.223 0.168 0.000 2.607 41 L HA 0.314 4.654 4.340 -0.000 0.000 0.228 41 L C 1.837 178.851 176.870 0.240 0.000 1.123 41 L CA 0.325 55.305 54.840 0.233 0.000 0.890 41 L CB 0.301 42.480 42.059 0.201 0.000 1.103 41 L HN 0.182 nan 8.230 nan 0.000 0.468 42 G N -0.565 108.336 108.800 0.169 0.000 2.920 42 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.208 42 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.208 42 G C 0.410 175.382 174.900 0.120 0.000 1.159 42 G CA 0.111 45.293 45.100 0.135 0.000 0.784 42 G HN 0.340 nan 8.290 nan 0.000 0.535 43 Q N 0.027 119.905 119.800 0.130 0.000 2.352 43 Q HA 0.286 4.626 4.340 -0.000 0.000 0.270 43 Q C -2.913 173.090 176.000 0.006 0.000 1.006 43 Q CA -1.833 54.014 55.803 0.074 0.000 0.880 43 Q CB 3.045 31.796 28.738 0.022 0.000 1.392 43 Q HN -0.022 nan 8.270 nan 0.000 0.401 44 P HA 0.239 nan 4.420 nan 0.000 0.263 44 P C 0.013 177.188 177.300 -0.210 0.000 1.195 44 P CA 0.956 63.892 63.100 -0.274 0.000 0.762 44 P CB 0.650 32.253 31.700 -0.163 0.000 0.799 45 G N 2.416 111.053 108.800 -0.273 0.000 2.334 45 G HA2 0.202 4.162 3.960 -0.000 0.000 0.315 45 G HA3 0.202 4.162 3.960 -0.000 0.000 0.315 45 G C -1.059 173.751 174.900 -0.150 0.000 1.284 45 G CA -0.306 44.691 45.100 -0.171 0.000 0.985 45 G HN 0.727 nan 8.290 nan 0.000 0.504 46 T N -1.285 113.210 114.554 -0.098 0.000 2.792 46 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 46 T C 0.795 175.476 174.700 -0.032 0.000 0.990 46 T CA -0.025 62.031 62.100 -0.073 0.000 0.960 46 T CB 1.893 70.723 68.868 -0.063 0.000 0.939 46 T HN 1.353 nan 8.240 nan 0.000 0.439 47 L N 3.369 124.589 121.223 -0.006 0.000 2.262 47 L HA 0.443 4.783 4.340 -0.000 0.000 0.197 47 L C 1.871 178.763 176.870 0.037 0.000 1.073 47 L CA 0.865 55.718 54.840 0.022 0.000 0.800 47 L CB -0.645 41.441 42.059 0.046 0.000 0.987 47 L HN 0.795 nan 8.230 nan 0.000 0.470 48 L N -1.128 120.131 121.223 0.060 0.000 2.071 48 L HA 0.360 4.700 4.340 -0.000 0.000 0.201 48 L C 1.351 178.254 176.870 0.056 0.000 1.076 48 L CA 0.735 55.619 54.840 0.074 0.000 0.755 48 L CB -0.695 41.440 42.059 0.126 0.000 0.915 48 L HN 0.498 nan 8.230 nan 0.000 0.445 49 G N -0.694 108.137 108.800 0.052 0.000 2.491 49 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.183 49 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.183 49 G C -1.766 173.153 174.900 0.031 0.000 1.221 49 G CA -0.132 44.987 45.100 0.033 0.000 0.996 49 G HN 0.185 nan 8.290 nan 0.000 0.474 50 D N 0.617 121.038 120.400 0.035 0.000 2.368 50 D HA 0.222 4.862 4.640 -0.000 0.000 0.240 50 D C 0.295 176.647 176.300 0.087 0.000 1.169 50 D CA -0.100 53.919 54.000 0.032 0.000 0.906 50 D CB 0.550 41.362 40.800 0.021 0.000 1.187 50 D HN 0.256 nan 8.370 nan 0.000 0.435 51 D N -0.087 120.359 120.400 0.078 0.000 2.393 51 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 51 D C 1.462 177.879 176.300 0.195 0.000 0.974 51 D CA 0.935 55.038 54.000 0.172 0.000 0.931 51 D CB 0.058 40.931 40.800 0.122 0.000 0.889 51 D HN 0.481 nan 8.370 nan 0.000 0.512 52 Q N 0.430 120.310 119.800 0.133 0.000 1.984 52 Q HA -0.044 4.296 4.340 -0.000 0.000 0.196 52 Q C 2.004 178.082 176.000 0.130 0.000 0.975 52 Q CA 0.549 56.423 55.803 0.120 0.000 0.827 52 Q CB -0.467 28.311 28.738 0.066 0.000 0.894 52 Q HN 0.201 nan 8.270 nan 0.000 0.438 53 I N 0.279 120.921 120.570 0.120 0.000 2.264 53 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 53 I C 1.953 178.150 176.117 0.134 0.000 1.111 53 I CA 1.399 62.767 61.300 0.112 0.000 1.382 53 I CB -0.551 37.508 38.000 0.099 0.000 1.060 53 I HN 0.437 nan 8.210 nan 0.000 0.418 54 Y N 1.436 121.776 120.300 0.066 0.000 2.133 54 Y HA -0.222 4.328 4.550 -0.000 0.000 0.287 54 Y C 2.346 178.300 175.900 0.090 0.000 1.134 54 Y CA 2.058 60.203 58.100 0.075 0.000 1.133 54 Y CB -0.596 37.911 38.460 0.078 0.000 0.987 54 Y HN 0.222 nan 8.280 nan 0.000 0.502 55 N N -0.089 118.643 118.700 0.054 0.000 2.453 55 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 55 N C 1.902 177.403 175.510 -0.014 0.000 1.041 55 N CA 1.153 54.195 53.050 -0.014 0.000 0.900 55 N CB -0.160 38.404 38.487 0.129 0.000 0.961 55 N HN 0.304 nan 8.380 nan 0.000 0.443 56 V N 0.585 120.517 119.914 0.030 0.000 2.307 56 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 56 V C 2.401 178.507 176.094 0.020 0.000 1.045 56 V CA 1.052 63.386 62.300 0.057 0.000 1.024 56 V CB -0.302 31.570 31.823 0.083 0.000 0.651 56 V HN 0.031 nan 8.190 nan 0.000 0.449 57 V N -0.390 119.500 119.914 -0.041 0.000 2.295 57 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 57 V C 2.431 178.474 176.094 -0.086 0.000 1.049 57 V CA 2.037 64.299 62.300 -0.064 0.000 1.024 57 V CB -0.425 31.328 31.823 -0.117 0.000 0.648 57 V HN 0.400 nan 8.190 nan 0.000 0.447 58 V N -0.131 119.654 119.914 -0.216 0.000 2.392 58 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 58 V C 2.545 178.643 176.094 0.007 0.000 1.059 58 V CA 2.652 64.877 62.300 -0.126 0.000 1.051 58 V CB -0.920 30.791 31.823 -0.186 0.000 0.658 58 V HN 0.643 nan 8.190 nan 0.000 0.455 59 T N 0.221 114.763 114.554 -0.020 0.000 2.737 59 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 59 T C 2.056 176.741 174.700 -0.025 0.000 1.038 59 T CA 1.557 63.615 62.100 -0.069 0.000 1.144 59 T CB -0.412 68.445 68.868 -0.017 0.000 0.866 59 T HN 0.572 nan 8.240 nan 0.000 0.434 60 A N 1.108 124.009 122.820 0.134 0.000 1.933 60 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 60 A C 1.986 179.714 177.584 0.240 0.000 1.175 60 A CA 2.212 54.404 52.037 0.258 0.000 0.628 60 A CB -0.919 18.219 19.000 0.231 0.000 0.814 60 A HN 0.682 nan 8.150 nan 0.000 0.444 61 H N 0.303 119.409 119.070 0.059 0.000 2.290 61 H HA -0.043 4.513 4.556 -0.000 0.000 0.298 61 H C 2.142 177.478 175.328 0.013 0.000 1.087 61 H CA 2.286 58.362 56.048 0.045 0.000 1.291 61 H CB -0.392 29.380 29.762 0.018 0.000 1.369 61 H HN 0.363 nan 8.280 nan 0.000 0.492 62 A N 0.052 122.777 122.820 -0.158 0.000 1.858 62 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 62 A C 2.240 179.712 177.584 -0.187 0.000 1.190 62 A CA 1.533 53.324 52.037 -0.409 0.000 0.617 62 A CB -1.098 17.581 19.000 -0.534 0.000 0.827 62 A HN 0.444 nan 8.150 nan 0.000 0.443 63 F N 0.036 120.054 119.950 0.113 0.000 2.126 63 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 63 F C 2.545 178.480 175.800 0.225 0.000 1.096 63 F CA 1.007 59.152 58.000 0.243 0.000 1.255 63 F CB -1.099 38.060 39.000 0.266 0.000 0.997 63 F HN 0.019 nan 8.300 nan 0.000 0.479 64 V N -0.096 120.086 119.914 0.446 0.000 2.237 64 V HA -0.331 3.789 4.120 -0.000 0.000 0.245 64 V C 2.539 178.727 176.094 0.157 0.000 1.046 64 V CA 1.743 64.279 62.300 0.393 0.000 1.007 64 V CB -0.563 31.450 31.823 0.317 0.000 0.638 64 V HN 0.220 nan 8.190 nan 0.000 0.445 65 M N -1.070 118.525 119.600 -0.008 0.000 2.117 65 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 65 M C 2.148 178.359 176.300 -0.148 0.000 1.065 65 M CA 1.970 57.207 55.300 -0.106 0.000 1.114 65 M CB -0.902 31.542 32.600 -0.260 0.000 1.361 65 M HN 0.295 nan 8.290 nan 0.000 0.408 66 I N -0.876 119.569 120.570 -0.209 0.000 2.130 66 I HA -0.244 3.926 4.170 -0.000 0.000 0.234 66 I C 2.141 178.044 176.117 -0.357 0.000 1.067 66 I CA 1.348 62.437 61.300 -0.352 0.000 1.339 66 I CB -0.422 37.263 38.000 -0.525 0.000 1.073 66 I HN 0.055 nan 8.210 nan 0.000 0.405 67 F N -0.225 119.566 119.950 -0.266 0.000 2.367 67 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 67 F C 1.749 177.178 175.800 -0.617 0.000 1.094 67 F CA 1.023 58.726 58.000 -0.495 0.000 1.409 67 F CB -0.197 38.345 39.000 -0.763 0.000 1.064 67 F HN -0.028 nan 8.300 nan 0.000 0.528 68 F N -2.281 117.762 119.950 0.156 0.000 2.720 68 F HA 0.228 4.755 4.527 -0.000 0.000 0.301 68 F C 1.823 177.680 175.800 0.095 0.000 1.103 68 F CA 0.037 58.094 58.000 0.095 0.000 1.291 68 F CB -0.166 38.635 39.000 -0.331 0.000 1.086 68 F HN -0.106 nan 8.300 nan 0.000 0.592 69 M N -0.889 118.806 119.600 0.158 0.000 3.135 69 M HA 0.065 4.545 4.480 -0.000 0.000 0.218 69 M C 1.889 178.248 176.300 0.099 0.000 1.569 69 M CA 0.910 56.286 55.300 0.126 0.000 1.390 69 M CB -0.416 32.221 32.600 0.063 0.000 1.050 69 M HN -0.130 nan 8.290 nan 0.000 0.580 70 V N 2.145 122.071 119.914 0.020 0.000 2.231 70 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 70 V C 2.559 178.660 176.094 0.012 0.000 1.054 70 V CA 2.423 64.723 62.300 0.001 0.000 1.015 70 V CB -0.812 30.962 31.823 -0.081 0.000 0.638 70 V HN 0.555 nan 8.190 nan 0.000 0.444 71 M N -0.781 118.797 119.600 -0.037 0.000 2.086 71 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 71 M C 0.067 176.391 176.300 0.039 0.000 1.067 71 M CA 2.299 57.581 55.300 -0.030 0.000 1.116 71 M CB -1.737 30.810 32.600 -0.089 0.000 1.348 71 M HN 0.295 nan 8.290 nan 0.000 0.407 72 P HA -0.122 nan 4.420 nan 0.000 0.214 72 P C 1.514 178.902 177.300 0.146 0.000 1.163 72 P CA 1.349 64.597 63.100 0.246 0.000 0.883 72 P CB -0.113 31.908 31.700 0.534 0.000 0.788 73 I N -1.722 118.961 120.570 0.189 0.000 2.076 73 I HA -0.300 3.870 4.170 -0.000 0.000 0.237 73 I C 2.475 178.719 176.117 0.211 0.000 1.059 73 I CA 1.877 63.276 61.300 0.166 0.000 1.317 73 I CB -0.589 37.528 38.000 0.194 0.000 1.037 73 I HN -0.078 nan 8.210 nan 0.000 0.398 74 M N -0.135 119.616 119.600 0.252 0.000 2.086 74 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 74 M C 2.290 178.710 176.300 0.199 0.000 1.067 74 M CA 2.023 57.518 55.300 0.325 0.000 1.116 74 M CB -0.296 32.408 32.600 0.174 0.000 1.348 74 M HN 0.222 nan 8.290 nan 0.000 0.407 75 I N -1.120 119.456 120.570 0.009 0.000 2.429 75 I HA -0.004 4.166 4.170 -0.000 0.000 0.247 75 I C 2.586 178.602 176.117 -0.168 0.000 1.099 75 I CA 0.990 62.203 61.300 -0.146 0.000 1.422 75 I CB -0.719 37.178 38.000 -0.173 0.000 1.112 75 I HN 0.286 nan 8.210 nan 0.000 0.430 76 G N 0.463 109.032 108.800 -0.386 0.000 2.408 76 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.215 76 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.215 76 G C 1.571 176.174 174.900 -0.494 0.000 1.156 76 G CA 0.767 45.247 45.100 -1.034 0.000 0.793 76 G HN 0.457 nan 8.290 nan 0.000 0.535 77 G N 0.630 109.317 108.800 -0.189 0.000 2.607 77 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 77 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 77 G C 1.477 176.326 174.900 -0.085 0.000 1.275 77 G CA 0.545 45.596 45.100 -0.082 0.000 0.842 77 G HN 0.227 nan 8.290 nan 0.000 0.555 78 F N 2.027 122.043 119.950 0.110 0.000 2.216 78 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 78 F C 2.876 178.818 175.800 0.237 0.000 1.085 78 F CA 0.853 58.924 58.000 0.118 0.000 1.326 78 F CB -0.715 38.318 39.000 0.055 0.000 1.027 78 F HN 0.212 nan 8.300 nan 0.000 0.497 79 G N 0.101 109.104 108.800 0.339 0.000 2.480 79 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 79 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 79 G C 1.732 176.893 174.900 0.434 0.000 1.200 79 G CA 1.011 46.227 45.100 0.193 0.000 0.782 79 G HN 0.255 nan 8.290 nan 0.000 0.554 80 N N -0.272 118.664 118.700 0.394 0.000 2.188 80 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 80 N C 1.919 177.570 175.510 0.236 0.000 1.018 80 N CA 0.820 54.023 53.050 0.254 0.000 0.858 80 N CB -0.239 38.314 38.487 0.111 0.000 0.989 80 N HN 0.566 nan 8.380 nan 0.000 0.426 81 W N 1.459 122.795 121.300 0.060 0.000 2.380 81 W HA -0.011 4.649 4.660 -0.000 0.000 0.317 81 W C 2.119 178.720 176.519 0.136 0.000 1.196 81 W CA 0.684 58.030 57.345 0.001 0.000 1.307 81 W CB -0.287 28.952 29.460 -0.369 0.000 1.157 81 W HN -0.015 nan 8.180 nan 0.000 0.483 82 L N -1.377 120.094 121.223 0.413 0.000 2.209 82 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 82 L C 2.084 179.085 176.870 0.218 0.000 1.094 82 L CA 0.186 55.167 54.840 0.234 0.000 0.790 82 L CB -1.337 40.690 42.059 -0.055 0.000 0.932 82 L HN -0.186 nan 8.230 nan 0.000 0.447 83 V N 0.883 120.940 119.914 0.239 0.000 2.231 83 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 83 V C -0.016 176.087 176.094 0.014 0.000 1.054 83 V CA 2.412 64.789 62.300 0.129 0.000 1.015 83 V CB -1.440 30.469 31.823 0.143 0.000 0.638 83 V HN 0.313 nan 8.190 nan 0.000 0.444 84 P HA -0.143 nan 4.420 nan 0.000 0.215 84 P C 1.909 179.155 177.300 -0.089 0.000 1.153 84 P CA 1.456 64.411 63.100 -0.241 0.000 0.853 84 P CB -0.084 31.198 31.700 -0.696 0.000 0.788 85 L N -2.082 119.190 121.223 0.081 0.000 2.131 85 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 85 L C 2.367 179.335 176.870 0.163 0.000 1.092 85 L CA 1.464 56.468 54.840 0.273 0.000 0.759 85 L CB -0.756 41.487 42.059 0.307 0.000 0.903 85 L HN 0.038 nan 8.230 nan 0.000 0.435 86 M N -0.323 119.340 119.600 0.106 0.000 2.419 86 M HA -0.020 4.460 4.480 -0.000 0.000 0.264 86 M C 1.799 178.111 176.300 0.020 0.000 1.082 86 M CA 1.220 56.590 55.300 0.117 0.000 1.119 86 M CB 0.070 32.784 32.600 0.190 0.000 1.398 86 M HN 0.313 nan 8.290 nan 0.000 0.453 87 I N -3.918 116.601 120.570 -0.085 0.000 4.025 87 I HA 0.480 4.650 4.170 -0.000 0.000 0.336 87 I C 0.873 176.799 176.117 -0.318 0.000 1.390 87 I CA 0.026 61.233 61.300 -0.156 0.000 1.099 87 I CB -0.106 37.806 38.000 -0.146 0.000 1.049 87 I HN 0.324 nan 8.210 nan 0.000 0.394 88 G N 1.985 110.453 108.800 -0.554 0.000 2.176 88 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.252 88 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.252 88 G C 0.255 174.601 174.900 -0.924 0.000 1.024 88 G CA 0.112 44.460 45.100 -1.252 0.000 0.755 88 G HN 0.921 nan 8.290 nan 0.000 0.507 89 A N 0.224 122.752 122.820 -0.487 0.000 2.304 89 A HA 0.847 5.167 4.320 -0.000 0.000 0.301 89 A C -0.115 177.448 177.584 -0.036 0.000 1.132 89 A CA -0.893 51.006 52.037 -0.229 0.000 0.819 89 A CB 1.127 19.997 19.000 -0.217 0.000 1.094 89 A HN 0.096 nan 8.150 nan 0.000 0.492 90 P HA -0.050 nan 4.420 nan 0.000 0.221 90 P C 0.152 177.486 177.300 0.058 0.000 1.150 90 P CA 1.260 64.431 63.100 0.120 0.000 0.800 90 P CB 0.400 32.143 31.700 0.071 0.000 0.787 91 D N -3.009 117.340 120.400 -0.084 0.000 3.861 91 D HA 0.148 4.788 4.640 -0.000 0.000 0.364 91 D C -0.691 175.467 176.300 -0.238 0.000 1.563 91 D CA -0.438 53.472 54.000 -0.151 0.000 0.940 91 D CB 0.232 41.020 40.800 -0.021 0.000 1.496 91 D HN -0.301 nan 8.370 nan 0.000 0.588 92 M N 0.829 120.298 119.600 -0.219 0.000 2.513 92 M HA 0.452 4.932 4.480 -0.000 0.000 0.291 92 M C 1.138 177.248 176.300 -0.317 0.000 1.190 92 M CA -0.276 54.855 55.300 -0.283 0.000 0.960 92 M CB 1.032 33.452 32.600 -0.300 0.000 1.517 92 M HN 0.563 nan 8.290 nan 0.000 0.499 93 A N 0.765 123.294 122.820 -0.485 0.000 1.902 93 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 93 A C 0.438 177.529 177.584 -0.823 0.000 1.181 93 A CA 1.589 53.167 52.037 -0.765 0.000 0.623 93 A CB -0.218 18.077 19.000 -1.175 0.000 0.818 93 A HN 0.582 nan 8.150 nan 0.000 0.443 94 F N -1.374 118.517 119.950 -0.099 0.000 2.550 94 F HA 0.388 4.915 4.527 -0.000 0.000 0.348 94 F C -2.154 173.602 175.800 -0.074 0.000 1.219 94 F CA -2.816 55.139 58.000 -0.075 0.000 1.203 94 F CB 0.852 39.811 39.000 -0.067 0.000 1.436 94 F HN -0.001 nan 8.300 nan 0.000 0.541 95 P HA -0.191 nan 4.420 nan 0.000 0.216 95 P C 1.905 179.226 177.300 0.036 0.000 1.154 95 P CA 1.762 64.864 63.100 0.004 0.000 0.865 95 P CB 0.309 32.005 31.700 -0.007 0.000 0.789 96 R N -1.311 119.224 120.500 0.058 0.000 2.057 96 R HA -0.017 4.323 4.340 -0.000 0.000 0.229 96 R C 2.422 178.761 176.300 0.064 0.000 1.136 96 R CA 1.489 57.620 56.100 0.050 0.000 0.952 96 R CB -0.837 29.480 30.300 0.029 0.000 0.848 96 R HN 0.152 nan 8.270 nan 0.000 0.430 97 M N 0.903 120.547 119.600 0.072 0.000 2.106 97 M HA -0.253 4.227 4.480 -0.000 0.000 0.259 97 M C 1.861 178.210 176.300 0.082 0.000 1.068 97 M CA 1.741 57.077 55.300 0.060 0.000 1.100 97 M CB -0.238 32.389 32.600 0.045 0.000 1.351 97 M HN 0.065 nan 8.290 nan 0.000 0.404 98 N N 0.831 119.579 118.700 0.080 0.000 2.094 98 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 98 N C 1.299 176.881 175.510 0.120 0.000 1.023 98 N CA 1.889 54.977 53.050 0.063 0.000 0.857 98 N CB -0.547 37.936 38.487 -0.006 0.000 1.013 98 N HN 0.513 nan 8.380 nan 0.000 0.426 99 N N -0.509 118.266 118.700 0.125 0.000 2.142 99 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 99 N C 1.883 177.553 175.510 0.267 0.000 1.023 99 N CA 0.943 54.118 53.050 0.208 0.000 0.852 99 N CB -0.090 38.536 38.487 0.231 0.000 0.998 99 N HN 0.310 nan 8.380 nan 0.000 0.424 100 M N 0.711 120.423 119.600 0.188 0.000 2.108 100 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 100 M C 2.001 178.371 176.300 0.116 0.000 1.066 100 M CA 1.350 56.745 55.300 0.158 0.000 1.107 100 M CB 0.016 32.666 32.600 0.083 0.000 1.356 100 M HN 0.032 nan 8.290 nan 0.000 0.406 101 S N 0.496 116.268 115.700 0.121 0.000 2.372 101 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 101 S C 1.510 176.154 174.600 0.073 0.000 1.044 101 S CA 1.882 60.163 58.200 0.136 0.000 1.050 101 S CB -0.762 62.571 63.200 0.223 0.000 0.901 101 S HN 0.651 nan 8.310 nan 0.000 0.447 102 F N 0.873 120.743 119.950 -0.134 0.000 2.075 102 F HA -0.064 4.463 4.527 -0.000 0.000 0.297 102 F C 1.789 177.254 175.800 -0.558 0.000 1.113 102 F CA 1.070 58.702 58.000 -0.613 0.000 1.218 102 F CB -0.789 37.624 39.000 -0.978 0.000 0.984 102 F HN 0.214 nan 8.300 nan 0.000 0.472 103 W N 0.571 121.592 121.300 -0.465 0.000 2.468 103 W HA -0.081 4.579 4.660 -0.000 0.000 0.262 103 W C 2.106 178.409 176.519 -0.361 0.000 1.241 103 W CA 0.525 57.590 57.345 -0.467 0.000 1.232 103 W CB -0.457 28.928 29.460 -0.126 0.000 1.124 103 W HN 0.073 nan 8.180 nan 0.000 0.597 104 L N -0.791 120.358 121.223 -0.123 0.000 2.291 104 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 104 L C 2.179 178.981 176.870 -0.113 0.000 1.120 104 L CA 0.322 55.127 54.840 -0.058 0.000 0.799 104 L CB -0.494 41.560 42.059 -0.008 0.000 0.925 104 L HN 0.022 nan 8.230 nan 0.000 0.446 105 L N 0.260 121.275 121.223 -0.348 0.000 2.005 105 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 105 L C -0.262 176.486 176.870 -0.203 0.000 1.072 105 L CA 2.156 56.774 54.840 -0.370 0.000 0.744 105 L CB -1.685 39.806 42.059 -0.945 0.000 0.895 105 L HN 0.066 nan 8.230 nan 0.000 0.433 106 P HA -0.118 nan 4.420 nan 0.000 0.215 106 P C -1.348 176.038 177.300 0.143 0.000 1.157 106 P CA 1.868 65.052 63.100 0.140 0.000 0.868 106 P CB -0.920 30.822 31.700 0.071 0.000 0.788 107 P HA -0.155 nan 4.420 nan 0.000 0.215 107 P C 1.918 179.286 177.300 0.114 0.000 1.157 107 P CA 1.739 64.888 63.100 0.081 0.000 0.868 107 P CB -0.499 31.235 31.700 0.057 0.000 0.788 108 S N -1.605 114.183 115.700 0.147 0.000 2.374 108 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 108 S C 1.852 176.602 174.600 0.250 0.000 1.037 108 S CA 1.125 59.463 58.200 0.230 0.000 1.024 108 S CB -1.063 62.340 63.200 0.338 0.000 0.861 108 S HN -0.070 nan 8.310 nan 0.000 0.456 109 F N 1.672 121.551 119.950 -0.118 0.000 2.186 109 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 109 F C 1.912 177.623 175.800 -0.148 0.000 1.090 109 F CA 0.769 58.497 58.000 -0.453 0.000 1.307 109 F CB -1.150 37.583 39.000 -0.445 0.000 1.019 109 F HN 0.288 nan 8.300 nan 0.000 0.489 110 L N 0.303 121.551 121.223 0.043 0.000 1.989 110 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 110 L C 2.317 179.197 176.870 0.017 0.000 1.071 110 L CA 1.774 56.594 54.840 -0.033 0.000 0.749 110 L CB -1.038 41.022 42.059 0.002 0.000 0.890 110 L HN 0.130 nan 8.230 nan 0.000 0.431 111 L N -1.171 120.097 121.223 0.075 0.000 2.043 111 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 111 L C 2.537 179.468 176.870 0.103 0.000 1.075 111 L CA 1.391 56.291 54.840 0.100 0.000 0.752 111 L CB -0.808 41.334 42.059 0.138 0.000 0.891 111 L HN 0.386 nan 8.230 nan 0.000 0.432 112 L N -0.378 120.929 121.223 0.139 0.000 2.093 112 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 112 L C 2.292 179.241 176.870 0.132 0.000 1.085 112 L CA 1.571 56.519 54.840 0.181 0.000 0.755 112 L CB -0.271 41.997 42.059 0.348 0.000 0.904 112 L HN 0.091 nan 8.230 nan 0.000 0.435 113 L N -0.728 120.514 121.223 0.032 0.000 2.056 113 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 113 L C 2.688 179.565 176.870 0.012 0.000 1.078 113 L CA 1.071 55.893 54.840 -0.031 0.000 0.749 113 L CB -0.890 41.061 42.059 -0.179 0.000 0.901 113 L HN 0.360 nan 8.230 nan 0.000 0.433 114 A N 0.045 122.877 122.820 0.019 0.000 1.908 114 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 114 A C 2.547 180.163 177.584 0.054 0.000 1.181 114 A CA 2.051 54.109 52.037 0.035 0.000 0.627 114 A CB -0.814 18.212 19.000 0.042 0.000 0.818 114 A HN 0.509 nan 8.150 nan 0.000 0.445 115 S N 0.689 116.431 115.700 0.070 0.000 2.387 115 S HA -0.192 4.278 4.470 -0.000 0.000 0.230 115 S C 1.935 176.584 174.600 0.082 0.000 1.035 115 S CA 2.104 60.351 58.200 0.077 0.000 1.014 115 S CB -0.821 62.430 63.200 0.086 0.000 0.836 115 S HN 1.038 nan 8.310 nan 0.000 0.466 116 S N 0.042 115.793 115.700 0.084 0.000 2.593 116 S HA 0.290 4.760 4.470 -0.000 0.000 0.217 116 S C 1.582 176.219 174.600 0.062 0.000 0.966 116 S CA 0.130 58.379 58.200 0.082 0.000 0.914 116 S CB -0.324 62.929 63.200 0.089 0.000 0.776 116 S HN 0.577 nan 8.310 nan 0.000 0.523 117 M N 1.359 120.990 119.600 0.052 0.000 2.718 117 M HA 0.224 4.704 4.480 -0.000 0.000 0.259 117 M C 0.939 177.264 176.300 0.041 0.000 1.240 117 M CA 0.356 55.680 55.300 0.040 0.000 1.210 117 M CB -0.220 32.398 32.600 0.030 0.000 1.281 117 M HN 0.343 nan 8.290 nan 0.000 0.515 118 V N 0.498 120.439 119.914 0.045 0.000 2.963 118 V HA 0.160 4.280 4.120 -0.000 0.000 0.306 118 V C 0.674 176.797 176.094 0.048 0.000 1.077 118 V CA -0.896 61.430 62.300 0.044 0.000 1.124 118 V CB 0.253 32.104 31.823 0.047 0.000 0.987 118 V HN 0.620 nan 8.190 nan 0.000 0.487 119 E N 2.658 122.883 120.200 0.041 0.000 3.401 119 E HA -0.349 4.000 4.350 -0.000 0.000 0.352 119 E C 0.882 177.507 176.600 0.041 0.000 1.523 119 E CA 1.982 58.405 56.400 0.038 0.000 1.794 119 E CB -1.683 28.044 29.700 0.045 0.000 1.792 119 E HN 1.581 nan 8.360 nan 0.000 0.471 120 A N 1.661 124.509 122.820 0.046 0.000 2.574 120 A HA 0.517 4.837 4.320 -0.000 0.000 0.283 120 A C 0.933 178.571 177.584 0.089 0.000 1.270 120 A CA 1.418 53.485 52.037 0.051 0.000 0.945 120 A CB -0.189 18.825 19.000 0.023 0.000 1.127 120 A HN 1.353 nan 8.150 nan 0.000 0.522 121 G N -0.665 108.195 108.800 0.100 0.000 2.752 121 G HA2 0.239 4.199 3.960 -0.000 0.000 0.234 121 G HA3 0.239 4.199 3.960 -0.000 0.000 0.234 121 G C 0.219 175.230 174.900 0.186 0.000 1.367 121 G CA -0.215 44.959 45.100 0.123 0.000 0.879 121 G HN 1.814 nan 8.290 nan 0.000 0.563 122 A N 0.077 122.989 122.820 0.154 0.000 2.412 122 A HA 0.723 5.043 4.320 -0.000 0.000 0.334 122 A C 0.860 178.502 177.584 0.096 0.000 1.419 122 A CA 0.862 52.956 52.037 0.094 0.000 0.930 122 A CB 0.444 19.460 19.000 0.026 0.000 1.149 122 A HN 2.290 nan 8.150 nan 0.000 0.515 123 G N 1.491 110.440 108.800 0.248 0.000 3.943 123 G HA2 0.321 4.281 3.960 -0.000 0.000 0.275 123 G HA3 0.321 4.281 3.960 -0.000 0.000 0.275 123 G C 0.775 175.732 174.900 0.096 0.000 1.234 123 G CA 0.594 45.800 45.100 0.176 0.000 1.522 123 G HN 0.756 nan 8.290 nan 0.000 0.636 124 T N -2.883 111.621 114.554 -0.082 0.000 3.044 124 T HA 0.473 4.823 4.350 -0.000 0.000 0.250 124 T C 1.217 175.839 174.700 -0.130 0.000 1.081 124 T CA 0.483 62.497 62.100 -0.143 0.000 1.040 124 T CB 0.541 69.247 68.868 -0.270 0.000 0.962 124 T HN 1.465 nan 8.240 nan 0.000 0.506 125 G N 1.481 110.223 108.800 -0.097 0.000 2.675 125 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 125 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 125 G C 0.226 175.010 174.900 -0.193 0.000 1.215 125 G CA -0.263 44.766 45.100 -0.119 0.000 0.777 125 G HN 0.560 nan 8.290 nan 0.000 0.638 126 W N 0.555 121.603 121.300 -0.420 0.000 2.468 126 W HA -0.059 4.601 4.660 -0.000 0.000 0.262 126 W C 1.499 177.828 176.519 -0.316 0.000 1.241 126 W CA 2.104 59.060 57.345 -0.647 0.000 1.232 126 W CB -1.368 27.686 29.460 -0.677 0.000 1.124 126 W HN 1.125 nan 8.180 nan 0.000 0.597 127 T N -0.930 113.060 114.554 -0.941 0.000 3.113 127 T HA 0.025 4.375 4.350 -0.000 0.000 0.256 127 T C 1.348 175.529 174.700 -0.866 0.000 1.131 127 T CA 0.530 61.727 62.100 -1.506 0.000 1.074 127 T CB -0.636 67.212 68.868 -1.699 0.000 0.944 127 T HN 0.304 nan 8.240 nan 0.000 0.516 128 V N 1.903 121.548 119.914 -0.449 0.000 5.176 128 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 128 V C -0.594 175.265 176.094 -0.391 0.000 0.665 128 V CA 0.170 62.303 62.300 -0.278 0.000 0.654 128 V CB -2.242 29.528 31.823 -0.088 0.000 0.440 128 V HN 0.583 nan 8.190 nan 0.000 0.806 129 Y N 3.211 123.198 120.300 -0.521 0.000 2.497 129 Y HA 0.505 5.054 4.550 -0.000 0.000 0.334 129 Y C -1.132 174.445 175.900 -0.539 0.000 1.199 129 Y CA -2.266 55.452 58.100 -0.637 0.000 1.425 129 Y CB 0.500 38.773 38.460 -0.312 0.000 1.291 129 Y HN 0.373 nan 8.280 nan 0.000 0.562 130 P HA 0.303 nan 4.420 nan 0.000 0.287 130 P C -2.423 174.800 177.300 -0.129 0.000 1.279 130 P CA -2.113 60.828 63.100 -0.265 0.000 0.867 130 P CB 1.973 33.491 31.700 -0.304 0.000 1.127 131 P HA -0.029 nan 4.420 nan 0.000 0.226 131 P C 1.593 178.906 177.300 0.022 0.000 1.153 131 P CA 0.290 63.393 63.100 0.005 0.000 0.777 131 P CB -0.064 31.655 31.700 0.031 0.000 0.794 132 L N 0.347 121.589 121.223 0.031 0.000 2.079 132 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 132 L C 2.025 178.955 176.870 0.101 0.000 1.081 132 L CA 2.033 56.928 54.840 0.092 0.000 0.752 132 L CB -1.379 40.734 42.059 0.091 0.000 0.896 132 L HN -0.072 nan 8.230 nan 0.000 0.433 133 A N -0.807 121.974 122.820 -0.065 0.000 2.206 133 A HA 0.325 4.645 4.320 -0.000 0.000 0.211 133 A C 1.447 179.000 177.584 -0.051 0.000 1.158 133 A CA 0.466 52.411 52.037 -0.154 0.000 0.761 133 A CB -1.348 17.499 19.000 -0.255 0.000 0.801 133 A HN 0.478 nan 8.150 nan 0.000 0.473 134 G N 0.087 108.890 108.800 0.004 0.000 2.667 134 G HA2 0.239 4.199 3.960 -0.000 0.000 0.250 134 G HA3 0.239 4.199 3.960 -0.000 0.000 0.250 134 G C 0.528 175.465 174.900 0.061 0.000 1.212 134 G CA 0.118 45.238 45.100 0.033 0.000 0.874 134 G HN 0.500 nan 8.290 nan 0.000 0.561 135 N N -0.225 118.504 118.700 0.048 0.000 2.575 135 N HA -0.030 4.710 4.740 -0.000 0.000 0.192 135 N C 1.290 176.824 175.510 0.041 0.000 1.200 135 N CA 0.500 53.578 53.050 0.046 0.000 0.897 135 N CB 0.202 38.711 38.487 0.035 0.000 0.990 135 N HN 0.405 nan 8.380 nan 0.000 0.449 136 L N -0.797 120.451 121.223 0.042 0.000 2.546 136 L HA 0.348 4.688 4.340 -0.000 0.000 0.182 136 L C 2.003 178.885 176.870 0.021 0.000 1.167 136 L CA 0.552 55.409 54.840 0.028 0.000 0.845 136 L CB -0.452 41.624 42.059 0.027 0.000 1.134 136 L HN 0.168 nan 8.230 nan 0.000 0.500 137 A N -1.621 121.222 122.820 0.037 0.000 2.172 137 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 137 A C 0.448 178.008 177.584 -0.041 0.000 1.154 137 A CA 1.171 53.219 52.037 0.019 0.000 0.701 137 A CB -0.587 18.454 19.000 0.068 0.000 0.789 137 A HN 0.671 nan 8.150 nan 0.000 0.465 138 H N -1.530 117.543 119.070 0.005 0.000 2.947 138 H HA 0.497 5.053 4.556 -0.000 0.000 0.222 138 H C 0.213 175.543 175.328 0.003 0.000 1.414 138 H CA -0.075 55.975 56.048 0.004 0.000 1.224 138 H CB 0.271 30.031 29.762 -0.004 0.000 2.100 138 H HN 0.427 nan 8.280 nan 0.000 0.524 139 A N 0.737 123.588 122.820 0.051 0.000 2.466 139 A HA 0.543 4.863 4.320 -0.000 0.000 0.238 139 A C 1.064 178.677 177.584 0.048 0.000 1.074 139 A CA 0.926 52.989 52.037 0.043 0.000 0.774 139 A CB -0.223 18.788 19.000 0.018 0.000 1.015 139 A HN 0.846 nan 8.150 nan 0.000 0.498 140 G N -1.164 107.662 108.800 0.045 0.000 2.479 140 G HA2 0.393 4.353 3.960 -0.000 0.000 0.686 140 G HA3 0.393 4.353 3.960 -0.000 0.000 0.686 140 G C 0.618 175.546 174.900 0.047 0.000 1.295 140 G CA 0.170 45.297 45.100 0.046 0.000 0.922 140 G HN 1.954 nan 8.290 nan 0.000 0.582 141 A N -0.097 122.752 122.820 0.048 0.000 2.015 141 A HA 0.251 4.571 4.320 -0.000 0.000 0.219 141 A C 2.740 180.348 177.584 0.039 0.000 1.163 141 A CA 2.649 54.714 52.037 0.047 0.000 0.646 141 A CB -0.734 18.303 19.000 0.061 0.000 0.806 141 A HN 1.669 nan 8.150 nan 0.000 0.448 142 S N -0.131 115.603 115.700 0.056 0.000 2.414 142 S HA -0.243 4.227 4.470 -0.000 0.000 0.238 142 S C 1.885 176.496 174.600 0.018 0.000 1.055 142 S CA 1.979 60.215 58.200 0.060 0.000 1.174 142 S CB -0.820 62.444 63.200 0.106 0.000 1.087 142 S HN 0.402 nan 8.310 nan 0.000 0.428 143 V N 2.459 122.371 119.914 -0.003 0.000 2.392 143 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 143 V C 2.072 178.080 176.094 -0.143 0.000 1.059 143 V CA 1.895 64.147 62.300 -0.079 0.000 1.051 143 V CB -0.824 30.934 31.823 -0.108 0.000 0.658 143 V HN 0.390 nan 8.190 nan 0.000 0.455 144 D N 0.114 120.424 120.400 -0.151 0.000 2.144 144 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 144 D C 2.140 178.217 176.300 -0.372 0.000 0.984 144 D CA 1.184 54.988 54.000 -0.326 0.000 0.834 144 D CB -0.154 40.509 40.800 -0.228 0.000 0.955 144 D HN 0.361 nan 8.370 nan 0.000 0.465 145 L N 0.476 121.642 121.223 -0.094 0.000 2.093 145 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 145 L C 2.471 179.336 176.870 -0.008 0.000 1.085 145 L CA 0.986 55.853 54.840 0.045 0.000 0.755 145 L CB -0.518 41.590 42.059 0.082 0.000 0.904 145 L HN -0.005 nan 8.230 nan 0.000 0.435 146 T N 0.117 114.628 114.554 -0.072 0.000 2.788 146 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 146 T C 1.917 176.472 174.700 -0.243 0.000 1.044 146 T CA 1.193 63.219 62.100 -0.123 0.000 1.139 146 T CB -0.096 68.731 68.868 -0.069 0.000 0.867 146 T HN 0.195 nan 8.240 nan 0.000 0.454 147 I N 0.078 120.476 120.570 -0.287 0.000 2.252 147 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 147 I C 1.920 177.841 176.117 -0.326 0.000 1.102 147 I CA 1.200 62.263 61.300 -0.394 0.000 1.385 147 I CB -0.280 37.429 38.000 -0.485 0.000 1.064 147 I HN 0.170 nan 8.210 nan 0.000 0.414 148 F N 0.475 120.351 119.950 -0.123 0.000 2.234 148 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 148 F C 2.942 178.732 175.800 -0.018 0.000 1.087 148 F CA 1.263 59.256 58.000 -0.012 0.000 1.340 148 F CB -1.240 37.785 39.000 0.041 0.000 1.031 148 F HN 0.029 nan 8.300 nan 0.000 0.500 149 S N 0.037 115.808 115.700 0.119 0.000 2.368 149 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 149 S C 2.112 176.689 174.600 -0.037 0.000 1.030 149 S CA 0.951 59.199 58.200 0.081 0.000 0.999 149 S CB -0.378 62.859 63.200 0.062 0.000 0.844 149 S HN 0.167 nan 8.310 nan 0.000 0.459 150 L N 1.542 122.624 121.223 -0.235 0.000 2.141 150 L HA 0.036 4.376 4.340 -0.000 0.000 0.209 150 L C 2.402 179.164 176.870 -0.180 0.000 1.094 150 L CA 1.638 56.237 54.840 -0.403 0.000 0.763 150 L CB -1.100 40.629 42.059 -0.550 0.000 0.908 150 L HN 0.405 nan 8.230 nan 0.000 0.437 151 H N -0.705 118.326 119.070 -0.064 0.000 2.293 151 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 151 H C 2.288 177.610 175.328 -0.010 0.000 1.082 151 H CA 1.542 57.582 56.048 -0.013 0.000 1.308 151 H CB -0.285 29.530 29.762 0.088 0.000 1.375 151 H HN 0.205 nan 8.280 nan 0.000 0.495 152 L N -0.149 121.169 121.223 0.158 0.000 1.989 152 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 152 L C 2.828 179.744 176.870 0.076 0.000 1.071 152 L CA 1.189 56.085 54.840 0.094 0.000 0.749 152 L CB -0.756 41.360 42.059 0.096 0.000 0.890 152 L HN 0.220 nan 8.230 nan 0.000 0.431 153 A N 0.283 123.142 122.820 0.066 0.000 1.978 153 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 153 A C 2.346 179.973 177.584 0.072 0.000 1.170 153 A CA 1.866 53.941 52.037 0.064 0.000 0.636 153 A CB -1.078 17.897 19.000 -0.042 0.000 0.810 153 A HN 0.500 nan 8.150 nan 0.000 0.448 154 G N -0.871 107.951 108.800 0.038 0.000 2.396 154 G HA2 0.014 3.974 3.960 -0.000 0.000 0.214 154 G HA3 0.014 3.974 3.960 -0.000 0.000 0.214 154 G C 1.453 176.387 174.900 0.057 0.000 1.166 154 G CA 1.014 46.142 45.100 0.046 0.000 0.793 154 G HN 0.312 nan 8.290 nan 0.000 0.533 155 V N 1.245 121.189 119.914 0.051 0.000 2.343 155 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 155 V C 3.049 179.175 176.094 0.053 0.000 1.051 155 V CA 2.198 64.520 62.300 0.037 0.000 1.036 155 V CB -0.511 31.323 31.823 0.019 0.000 0.654 155 V HN 0.503 nan 8.190 nan 0.000 0.451 156 S N 0.209 115.949 115.700 0.067 0.000 2.353 156 S HA -0.230 4.240 4.470 -0.000 0.000 0.222 156 S C 2.173 176.842 174.600 0.115 0.000 1.035 156 S CA 2.286 60.538 58.200 0.087 0.000 1.025 156 S CB -0.416 62.835 63.200 0.085 0.000 0.902 156 S HN 0.592 nan 8.310 nan 0.000 0.440 157 S N 1.818 117.589 115.700 0.118 0.000 2.423 157 S HA 0.043 4.513 4.470 -0.000 0.000 0.231 157 S C 1.825 176.499 174.600 0.123 0.000 1.014 157 S CA 1.255 59.532 58.200 0.128 0.000 0.965 157 S CB -0.552 62.724 63.200 0.126 0.000 0.785 157 S HN 0.811 nan 8.310 nan 0.000 0.495 158 I N -1.967 118.663 120.570 0.101 0.000 3.226 158 I HA 0.101 4.271 4.170 -0.000 0.000 0.277 158 I C 1.667 177.837 176.117 0.087 0.000 1.243 158 I CA 0.529 61.886 61.300 0.095 0.000 1.459 158 I CB -0.252 37.793 38.000 0.076 0.000 1.093 158 I HN 0.110 nan 8.210 nan 0.000 0.453 159 L N 2.321 123.591 121.223 0.080 0.000 2.072 159 L HA 0.156 4.496 4.340 -0.000 0.000 0.205 159 L C 2.634 179.561 176.870 0.095 0.000 1.079 159 L CA 2.054 56.933 54.840 0.065 0.000 0.752 159 L CB -1.266 40.824 42.059 0.051 0.000 0.906 159 L HN 0.327 nan 8.230 nan 0.000 0.436 160 G N -1.541 107.334 108.800 0.126 0.000 2.421 160 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 160 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 160 G C 1.659 176.709 174.900 0.250 0.000 1.143 160 G CA 0.680 45.868 45.100 0.148 0.000 0.784 160 G HN 0.479 nan 8.290 nan 0.000 0.541 161 A N 0.847 123.806 122.820 0.231 0.000 1.933 161 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 161 A C 2.350 180.050 177.584 0.192 0.000 1.175 161 A CA 1.118 53.294 52.037 0.231 0.000 0.628 161 A CB -0.322 18.772 19.000 0.156 0.000 0.814 161 A HN 0.376 nan 8.150 nan 0.000 0.444 162 I N -0.287 120.373 120.570 0.149 0.000 2.315 162 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 162 I C 2.444 178.677 176.117 0.193 0.000 1.117 162 I CA 1.189 62.577 61.300 0.147 0.000 1.404 162 I CB -0.384 37.681 38.000 0.107 0.000 1.071 162 I HN 0.338 nan 8.210 nan 0.000 0.419 163 N N 1.062 119.853 118.700 0.153 0.000 2.080 163 N HA -0.166 4.574 4.740 -0.000 0.000 0.189 163 N C 1.840 177.272 175.510 -0.131 0.000 1.036 163 N CA 1.701 54.764 53.050 0.022 0.000 0.846 163 N CB -0.259 38.152 38.487 -0.128 0.000 1.015 163 N HN 0.139 nan 8.380 nan 0.000 0.423 164 F N 1.243 121.182 119.950 -0.017 0.000 2.134 164 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 164 F C 2.321 178.072 175.800 -0.082 0.000 1.097 164 F CA 0.707 58.666 58.000 -0.069 0.000 1.264 164 F CB -0.442 38.516 39.000 -0.069 0.000 1.001 164 F HN 0.037 nan 8.300 nan 0.000 0.479 165 I N -0.863 119.793 120.570 0.143 0.000 2.252 165 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 165 I C 2.237 178.352 176.117 -0.003 0.000 1.102 165 I CA 1.528 62.860 61.300 0.054 0.000 1.385 165 I CB -0.883 37.156 38.000 0.066 0.000 1.064 165 I HN 0.099 nan 8.210 nan 0.000 0.414 166 T N 0.089 114.642 114.554 -0.003 0.000 2.708 166 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 166 T C 1.922 176.530 174.700 -0.155 0.000 1.037 166 T CA 2.025 64.087 62.100 -0.064 0.000 1.146 166 T CB -0.409 68.414 68.868 -0.075 0.000 0.865 166 T HN 0.357 nan 8.240 nan 0.000 0.435 167 T N 2.461 116.896 114.554 -0.197 0.000 2.595 167 T HA -0.013 4.337 4.350 -0.000 0.000 0.264 167 T C 2.011 176.616 174.700 -0.158 0.000 1.058 167 T CA 1.161 63.133 62.100 -0.214 0.000 1.166 167 T CB -0.579 68.158 68.868 -0.219 0.000 0.863 167 T HN 0.286 nan 8.240 nan 0.000 0.415 168 I N 0.443 120.944 120.570 -0.115 0.000 2.248 168 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 168 I C 2.246 178.254 176.117 -0.181 0.000 1.107 168 I CA 1.395 62.610 61.300 -0.142 0.000 1.373 168 I CB -0.374 37.551 38.000 -0.126 0.000 1.055 168 I HN 0.260 nan 8.210 nan 0.000 0.418 169 I N -0.120 120.359 120.570 -0.153 0.000 2.339 169 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 169 I C 2.234 178.268 176.117 -0.138 0.000 1.096 169 I CA 1.165 62.373 61.300 -0.154 0.000 1.408 169 I CB -0.321 37.613 38.000 -0.111 0.000 1.092 169 I HN 0.306 nan 8.210 nan 0.000 0.423 170 N N 0.766 119.389 118.700 -0.128 0.000 2.392 170 N HA 0.049 4.789 4.740 -0.000 0.000 0.177 170 N C 1.118 176.548 175.510 -0.132 0.000 1.066 170 N CA 0.375 53.354 53.050 -0.120 0.000 0.895 170 N CB 0.408 38.828 38.487 -0.111 0.000 0.988 170 N HN 0.245 nan 8.380 nan 0.000 0.457 171 M N 1.053 120.561 119.600 -0.152 0.000 2.778 171 M HA 0.235 4.715 4.480 -0.000 0.000 0.359 171 M C -0.689 175.515 176.300 -0.160 0.000 1.216 171 M CA -0.154 55.053 55.300 -0.155 0.000 0.935 171 M CB 0.915 33.410 32.600 -0.176 0.000 1.330 171 M HN -0.179 nan 8.290 nan 0.000 0.516 172 K N 0.962 121.270 120.400 -0.153 0.000 2.090 172 K HA 0.529 4.849 4.320 -0.000 0.000 0.249 172 K C -2.491 174.026 176.600 -0.139 0.000 0.995 172 K CA -1.741 54.452 56.287 -0.157 0.000 0.914 172 K CB 0.330 32.738 32.500 -0.154 0.000 1.057 172 K HN -0.136 nan 8.250 nan 0.000 0.462 173 P HA 0.038 nan 4.420 nan 0.000 0.268 173 P C -2.155 175.081 177.300 -0.106 0.000 1.204 173 P CA -0.967 62.061 63.100 -0.120 0.000 0.768 173 P CB 0.281 31.909 31.700 -0.119 0.000 0.842 174 P HA -0.253 nan 4.420 nan 0.000 0.218 174 P C 0.855 178.106 177.300 -0.082 0.000 1.147 174 P CA 1.795 64.844 63.100 -0.085 0.000 0.827 174 P CB -0.138 31.515 31.700 -0.080 0.000 0.778 175 A N -2.215 120.548 122.820 -0.094 0.000 2.238 175 A HA 0.168 4.488 4.320 -0.000 0.000 0.210 175 A C 1.136 178.682 177.584 -0.062 0.000 1.179 175 A CA -0.113 51.875 52.037 -0.081 0.000 0.827 175 A CB -0.771 18.165 19.000 -0.107 0.000 0.856 175 A HN 0.177 nan 8.150 nan 0.000 0.488 176 M N 2.080 121.638 119.600 -0.071 0.000 2.084 176 M HA 0.333 4.813 4.480 -0.000 0.000 0.351 176 M C 0.445 176.706 176.300 -0.065 0.000 1.240 176 M CA -0.283 54.981 55.300 -0.060 0.000 1.083 176 M CB 0.721 33.276 32.600 -0.074 0.000 1.593 176 M HN 0.364 nan 8.290 nan 0.000 0.463 177 S N 3.184 118.864 115.700 -0.033 0.000 2.634 177 S HA 0.148 4.618 4.470 -0.000 0.000 0.261 177 S C 0.656 175.183 174.600 -0.122 0.000 1.271 177 S CA -0.430 57.743 58.200 -0.046 0.000 0.985 177 S CB 1.299 64.535 63.200 0.060 0.000 0.968 177 S HN 0.859 nan 8.310 nan 0.000 0.568 178 Q N -0.305 119.322 119.800 -0.288 0.000 2.224 178 Q HA 0.035 4.375 4.340 -0.000 0.000 0.203 178 Q C 0.494 176.358 176.000 -0.226 0.000 0.970 178 Q CA 1.564 57.076 55.803 -0.484 0.000 0.865 178 Q CB -0.499 27.797 28.738 -0.737 0.000 0.922 178 Q HN 0.853 nan 8.270 nan 0.000 0.445 179 Y N -0.384 120.104 120.300 0.313 0.000 2.465 179 Y HA 0.161 4.711 4.550 -0.000 0.000 0.311 179 Y C 0.911 176.992 175.900 0.301 0.000 1.204 179 Y CA 0.267 58.670 58.100 0.506 0.000 1.272 179 Y CB 0.083 38.767 38.460 0.373 0.000 1.083 179 Y HN 0.164 nan 8.280 nan 0.000 0.508 180 Q N -0.864 119.079 119.800 0.237 0.000 2.140 180 Q HA 0.102 4.442 4.340 -0.000 0.000 0.227 180 Q C 0.459 176.515 176.000 0.092 0.000 0.798 180 Q CA -0.073 55.782 55.803 0.086 0.000 0.987 180 Q CB 0.905 29.662 28.738 0.032 0.000 1.161 180 Q HN 0.322 nan 8.270 nan 0.000 0.480 181 T N -1.141 113.497 114.554 0.141 0.000 2.913 181 T HA 0.496 4.846 4.350 -0.000 0.000 0.287 181 T C -2.579 172.344 174.700 0.372 0.000 1.008 181 T CA -1.966 60.198 62.100 0.106 0.000 1.067 181 T CB 1.321 70.108 68.868 -0.135 0.000 0.996 181 T HN -0.226 nan 8.240 nan 0.000 0.513 182 P HA 0.252 nan 4.420 nan 0.000 0.274 182 P C 1.116 178.814 177.300 0.662 0.000 1.231 182 P CA -0.624 62.796 63.100 0.534 0.000 0.790 182 P CB 0.460 32.487 31.700 0.544 0.000 0.951 183 L N 0.735 122.374 121.223 0.693 0.000 2.081 183 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 183 L C 2.157 179.360 176.870 0.556 0.000 1.080 183 L CA 1.624 56.804 54.840 0.567 0.000 0.754 183 L CB -0.716 41.604 42.059 0.435 0.000 0.893 183 L HN 0.387 nan 8.230 nan 0.000 0.433 184 F N 0.447 120.672 119.950 0.458 0.000 2.102 184 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 184 F C 2.277 178.141 175.800 0.106 0.000 1.105 184 F CA 1.513 59.580 58.000 0.111 0.000 1.239 184 F CB -0.426 38.394 39.000 -0.299 0.000 0.991 184 F HN -0.254 nan 8.300 nan 0.000 0.474 185 V N -0.995 118.955 119.914 0.061 0.000 2.343 185 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 185 V C 2.167 178.218 176.094 -0.072 0.000 1.051 185 V CA 2.094 64.321 62.300 -0.121 0.000 1.036 185 V CB -1.090 30.718 31.823 -0.025 0.000 0.654 185 V HN 0.513 nan 8.190 nan 0.000 0.451 186 W N 0.627 121.911 121.300 -0.027 0.000 2.358 186 W HA -0.237 4.423 4.660 -0.000 0.000 0.303 186 W C 3.056 179.531 176.519 -0.073 0.000 1.208 186 W CA 1.923 59.251 57.345 -0.028 0.000 1.274 186 W CB -0.412 29.058 29.460 0.017 0.000 1.138 186 W HN 0.349 nan 8.180 nan 0.000 0.515 187 S N 0.164 115.977 115.700 0.189 0.000 2.365 187 S HA -0.265 4.205 4.470 -0.000 0.000 0.225 187 S C 1.928 176.466 174.600 -0.104 0.000 1.039 187 S CA 1.937 60.174 58.200 0.062 0.000 1.033 187 S CB -1.191 62.072 63.200 0.105 0.000 0.887 187 S HN 0.223 nan 8.310 nan 0.000 0.447 188 V N 0.417 120.125 119.914 -0.344 0.000 2.871 188 V HA 0.132 4.252 4.120 -0.000 0.000 0.256 188 V C 2.195 178.137 176.094 -0.255 0.000 1.082 188 V CA 1.667 63.713 62.300 -0.424 0.000 1.105 188 V CB -0.542 30.815 31.823 -0.776 0.000 0.713 188 V HN 0.631 nan 8.190 nan 0.000 0.473 189 M N -0.326 119.193 119.600 -0.136 0.000 2.200 189 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 189 M C 2.035 178.355 176.300 0.032 0.000 1.066 189 M CA 2.042 57.312 55.300 -0.050 0.000 1.127 189 M CB -0.252 32.306 32.600 -0.071 0.000 1.379 189 M HN 0.434 nan 8.290 nan 0.000 0.420 190 I N -0.608 120.016 120.570 0.090 0.000 2.286 190 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 190 I C 2.127 178.292 176.117 0.080 0.000 1.104 190 I CA 1.264 62.636 61.300 0.120 0.000 1.397 190 I CB -0.530 37.560 38.000 0.149 0.000 1.072 190 I HN 0.243 nan 8.210 nan 0.000 0.417 191 T N 0.835 115.402 114.554 0.021 0.000 2.720 191 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 191 T C 2.029 176.740 174.700 0.018 0.000 1.037 191 T CA 1.506 63.608 62.100 0.002 0.000 1.144 191 T CB -0.300 68.523 68.868 -0.075 0.000 0.864 191 T HN 0.483 nan 8.240 nan 0.000 0.444 192 A N 0.847 123.663 122.820 -0.007 0.000 1.908 192 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 192 A C 2.567 180.208 177.584 0.095 0.000 1.181 192 A CA 1.510 53.574 52.037 0.045 0.000 0.627 192 A CB -0.970 18.066 19.000 0.060 0.000 0.818 192 A HN 0.383 nan 8.150 nan 0.000 0.445 193 V N -0.386 119.589 119.914 0.101 0.000 2.358 193 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 193 V C 2.471 178.675 176.094 0.183 0.000 1.047 193 V CA 1.718 64.091 62.300 0.122 0.000 1.035 193 V CB -0.767 31.123 31.823 0.112 0.000 0.658 193 V HN 0.462 nan 8.190 nan 0.000 0.452 194 L N -0.684 120.677 121.223 0.229 0.000 2.046 194 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 194 L C 2.237 179.280 176.870 0.288 0.000 1.077 194 L CA 1.750 56.803 54.840 0.355 0.000 0.747 194 L CB -0.915 41.279 42.059 0.225 0.000 0.896 194 L HN 0.239 nan 8.230 nan 0.000 0.432 195 L N -1.734 119.598 121.223 0.182 0.000 2.046 195 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 195 L C 2.463 179.443 176.870 0.183 0.000 1.077 195 L CA 0.728 55.670 54.840 0.171 0.000 0.747 195 L CB -0.515 41.619 42.059 0.125 0.000 0.896 195 L HN 0.236 nan 8.230 nan 0.000 0.432 196 L N -0.368 120.951 121.223 0.161 0.000 2.079 196 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 196 L C 2.161 179.119 176.870 0.147 0.000 1.081 196 L CA 1.769 56.689 54.840 0.133 0.000 0.752 196 L CB -0.181 41.941 42.059 0.105 0.000 0.896 196 L HN 0.153 nan 8.230 nan 0.000 0.433 197 L N -1.953 119.390 121.223 0.200 0.000 2.416 197 L HA 0.046 4.386 4.340 -0.000 0.000 0.216 197 L C 2.329 179.436 176.870 0.396 0.000 1.098 197 L CA 0.814 55.785 54.840 0.220 0.000 0.840 197 L CB -0.431 41.651 42.059 0.039 0.000 0.981 197 L HN 0.375 nan 8.230 nan 0.000 0.462 198 S N -0.632 115.333 115.700 0.441 0.000 2.460 198 S HA -0.016 4.454 4.470 -0.000 0.000 0.226 198 S C 1.869 176.678 174.600 0.348 0.000 1.057 198 S CA -0.024 58.430 58.200 0.423 0.000 0.948 198 S CB -0.363 62.992 63.200 0.259 0.000 0.822 198 S HN 0.090 nan 8.310 nan 0.000 0.512 199 L N 2.991 124.373 121.223 0.264 0.000 2.043 199 L HA 0.062 4.402 4.340 -0.000 0.000 0.212 199 L C -0.869 176.000 176.870 -0.002 0.000 1.075 199 L CA 1.636 56.516 54.840 0.066 0.000 0.752 199 L CB -1.741 40.367 42.059 0.082 0.000 0.891 199 L HN 0.259 nan 8.230 nan 0.000 0.432 200 P HA -0.094 nan 4.420 nan 0.000 0.217 200 P C 2.054 179.365 177.300 0.018 0.000 1.150 200 P CA 0.924 64.045 63.100 0.035 0.000 0.832 200 P CB 0.117 31.849 31.700 0.055 0.000 0.787 201 V N -0.415 119.539 119.914 0.067 0.000 2.407 201 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 201 V C 2.357 178.425 176.094 -0.043 0.000 1.055 201 V CA 1.457 63.778 62.300 0.035 0.000 1.049 201 V CB -1.213 30.704 31.823 0.156 0.000 0.662 201 V HN 0.065 nan 8.190 nan 0.000 0.455 202 L N 1.205 122.359 121.223 -0.114 0.000 1.994 202 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 202 L C 2.487 179.251 176.870 -0.178 0.000 1.071 202 L CA 2.468 57.129 54.840 -0.299 0.000 0.745 202 L CB -0.884 40.694 42.059 -0.802 0.000 0.892 202 L HN 0.202 nan 8.230 nan 0.000 0.431 203 A N -0.486 122.271 122.820 -0.105 0.000 1.978 203 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 203 A C 2.417 180.043 177.584 0.069 0.000 1.170 203 A CA 1.860 53.928 52.037 0.052 0.000 0.636 203 A CB -1.152 17.903 19.000 0.090 0.000 0.810 203 A HN 0.647 nan 8.150 nan 0.000 0.448 204 A N -0.568 122.247 122.820 -0.008 0.000 1.898 204 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 204 A C 2.390 179.953 177.584 -0.036 0.000 1.181 204 A CA 1.763 53.779 52.037 -0.035 0.000 0.620 204 A CB -1.284 17.677 19.000 -0.064 0.000 0.819 204 A HN 0.666 nan 8.150 nan 0.000 0.442 205 G N 0.897 109.678 108.800 -0.033 0.000 2.433 205 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 205 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 205 G C 1.520 176.508 174.900 0.148 0.000 1.186 205 G CA 1.224 46.339 45.100 0.025 0.000 0.779 205 G HN 0.825 nan 8.290 nan 0.000 0.543 206 I N -1.477 119.135 120.570 0.070 0.000 2.830 206 I HA 0.018 4.188 4.170 -0.000 0.000 0.263 206 I C 2.183 178.331 176.117 0.052 0.000 1.230 206 I CA 1.491 62.833 61.300 0.070 0.000 1.480 206 I CB -0.574 37.362 38.000 -0.107 0.000 1.095 206 I HN -0.050 nan 8.210 nan 0.000 0.455 207 T N 1.267 115.882 114.554 0.101 0.000 2.942 207 T HA 0.063 4.413 4.350 -0.000 0.000 0.265 207 T C 1.903 176.643 174.700 0.068 0.000 1.062 207 T CA 1.379 63.566 62.100 0.145 0.000 1.139 207 T CB -0.105 68.852 68.868 0.148 0.000 0.883 207 T HN 0.321 nan 8.240 nan 0.000 0.468 208 M N 0.329 119.927 119.600 -0.003 0.000 2.175 208 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 208 M C 2.183 178.589 176.300 0.176 0.000 1.063 208 M CA 1.108 56.309 55.300 -0.166 0.000 1.119 208 M CB -0.322 31.957 32.600 -0.535 0.000 1.377 208 M HN 0.178 nan 8.290 nan 0.000 0.415 209 L N 0.476 121.927 121.223 0.379 0.000 2.093 209 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 209 L C 2.119 179.079 176.870 0.150 0.000 1.085 209 L CA 1.523 56.582 54.840 0.365 0.000 0.755 209 L CB -0.599 41.592 42.059 0.221 0.000 0.904 209 L HN 0.218 nan 8.230 nan 0.000 0.435 210 L N -0.842 120.429 121.223 0.080 0.000 2.056 210 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 210 L C 2.538 179.449 176.870 0.068 0.000 1.078 210 L CA 2.318 57.167 54.840 0.015 0.000 0.749 210 L CB -0.827 41.224 42.059 -0.014 0.000 0.901 210 L HN 0.592 nan 8.230 nan 0.000 0.433 211 T N -4.594 110.032 114.554 0.119 0.000 2.857 211 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 211 T C 1.683 176.456 174.700 0.121 0.000 1.048 211 T CA 1.132 63.313 62.100 0.134 0.000 1.139 211 T CB -0.661 68.323 68.868 0.193 0.000 0.874 211 T HN 0.253 nan 8.240 nan 0.000 0.455 212 D N 2.425 122.917 120.400 0.153 0.000 2.228 212 D HA -0.086 4.554 4.640 -0.000 0.000 0.203 212 D C 2.083 178.427 176.300 0.073 0.000 0.988 212 D CA 1.034 55.100 54.000 0.111 0.000 0.864 212 D CB -0.125 40.772 40.800 0.161 0.000 0.928 212 D HN 0.746 nan 8.370 nan 0.000 0.469 213 R N -1.004 119.536 120.500 0.067 0.000 2.468 213 R HA 0.358 4.698 4.340 -0.000 0.000 0.280 213 R C 0.747 177.068 176.300 0.034 0.000 0.963 213 R CA -0.028 56.097 56.100 0.043 0.000 1.083 213 R CB 0.340 30.658 30.300 0.030 0.000 1.200 213 R HN -0.053 nan 8.270 nan 0.000 0.541 214 N N -0.526 118.200 118.700 0.042 0.000 1.983 214 N HA 0.073 4.813 4.740 -0.000 0.000 0.234 214 N C -0.088 175.449 175.510 0.045 0.000 1.339 214 N CA 0.099 53.175 53.050 0.044 0.000 0.826 214 N CB 0.730 39.249 38.487 0.053 0.000 1.156 214 N HN 0.062 nan 8.380 nan 0.000 0.468 215 L N 1.731 122.983 121.223 0.048 0.000 2.959 215 L HA 0.364 4.704 4.340 -0.000 0.000 0.259 215 L C -0.037 176.844 176.870 0.018 0.000 1.185 215 L CA 0.203 55.066 54.840 0.040 0.000 0.998 215 L CB -0.417 41.676 42.059 0.057 0.000 1.337 215 L HN -0.002 nan 8.230 nan 0.000 0.555 216 N N -0.079 118.628 118.700 0.011 0.000 2.735 216 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 216 N C 0.365 175.845 175.510 -0.049 0.000 1.083 216 N CA 1.265 54.308 53.050 -0.012 0.000 0.703 216 N CB -1.546 36.933 38.487 -0.014 0.000 1.005 216 N HN 0.536 nan 8.380 nan 0.000 0.550 217 T N -3.152 111.368 114.554 -0.056 0.000 2.881 217 T HA 0.626 4.976 4.350 -0.000 0.000 0.278 217 T C 1.116 175.699 174.700 -0.195 0.000 0.982 217 T CA -0.040 61.952 62.100 -0.179 0.000 0.989 217 T CB 1.892 70.650 68.868 -0.183 0.000 1.058 217 T HN 0.236 nan 8.240 nan 0.000 0.529 218 T N -1.483 112.859 114.554 -0.354 0.000 3.697 218 T HA 0.329 4.679 4.350 -0.000 0.000 0.260 218 T C 0.436 174.952 174.700 -0.306 0.000 0.998 218 T CA -0.648 61.312 62.100 -0.234 0.000 1.128 218 T CB -0.865 67.910 68.868 -0.156 0.000 1.082 218 T HN 0.387 nan 8.240 nan 0.000 0.541 219 F N 1.054 120.802 119.950 -0.337 0.000 2.126 219 F HA 0.139 4.666 4.527 -0.000 0.000 0.299 219 F C 1.193 176.664 175.800 -0.548 0.000 1.096 219 F CA 1.125 58.777 58.000 -0.580 0.000 1.255 219 F CB -0.364 38.004 39.000 -1.053 0.000 0.997 219 F HN 0.392 nan 8.300 nan 0.000 0.479 220 F N -1.491 118.578 119.950 0.199 0.000 2.668 220 F HA 0.246 4.773 4.527 -0.000 0.000 0.301 220 F C 0.046 175.876 175.800 0.049 0.000 1.106 220 F CA -0.903 57.163 58.000 0.110 0.000 1.289 220 F CB -0.266 38.785 39.000 0.085 0.000 1.006 220 F HN -0.263 nan 8.300 nan 0.000 0.535 221 D N 1.464 121.934 120.400 0.117 0.000 2.414 221 D HA 0.257 4.897 4.640 -0.000 0.000 0.232 221 D C -1.969 174.354 176.300 0.039 0.000 1.070 221 D CA -2.289 51.752 54.000 0.068 0.000 0.839 221 D CB 2.215 43.032 40.800 0.028 0.000 1.079 221 D HN -0.087 nan 8.370 nan 0.000 0.521 222 P HA -0.176 nan 4.420 nan 0.000 0.216 222 P C 1.078 178.388 177.300 0.017 0.000 1.150 222 P CA 1.489 64.610 63.100 0.036 0.000 0.843 222 P CB 0.302 32.026 31.700 0.040 0.000 0.787 223 A N -0.123 122.704 122.820 0.012 0.000 1.884 223 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 223 A C 2.395 179.971 177.584 -0.013 0.000 1.197 223 A CA 2.321 54.359 52.037 0.001 0.000 0.637 223 A CB -1.886 17.114 19.000 0.000 0.000 0.827 223 A HN 0.329 nan 8.150 nan 0.000 0.450 224 G N -2.758 106.025 108.800 -0.027 0.000 2.985 224 G HA2 0.385 4.345 3.960 -0.000 0.000 0.209 224 G HA3 0.385 4.345 3.960 -0.000 0.000 0.209 224 G C 1.072 175.942 174.900 -0.050 0.000 1.165 224 G CA 0.665 45.734 45.100 -0.051 0.000 0.776 224 G HN 1.769 nan 8.290 nan 0.000 0.541 225 G N -1.349 107.436 108.800 -0.024 0.000 2.163 225 G HA2 0.017 3.977 3.960 -0.000 0.000 0.213 225 G HA3 0.017 3.977 3.960 -0.000 0.000 0.213 225 G C 0.787 175.686 174.900 -0.001 0.000 0.991 225 G CA 0.138 45.231 45.100 -0.012 0.000 0.653 225 G HN 0.924 nan 8.290 nan 0.000 0.518 226 G N -0.762 108.036 108.800 -0.003 0.000 2.570 226 G HA2 0.467 4.427 3.960 -0.000 0.000 0.276 226 G HA3 0.467 4.427 3.960 -0.000 0.000 0.276 226 G C -0.590 174.370 174.900 0.099 0.000 1.346 226 G CA 0.646 45.765 45.100 0.031 0.000 1.034 226 G HN 0.486 nan 8.290 nan 0.000 0.512 227 D N -1.533 118.978 120.400 0.185 0.000 2.470 227 D HA 0.311 4.951 4.640 -0.000 0.000 0.233 227 D C -2.054 174.406 176.300 0.268 0.000 1.372 227 D CA -1.468 52.649 54.000 0.196 0.000 0.994 227 D CB 1.959 42.867 40.800 0.181 0.000 1.377 227 D HN -0.067 nan 8.370 nan 0.000 0.586 228 P HA -0.084 nan 4.420 nan 0.000 0.220 228 P C 1.547 178.821 177.300 -0.044 0.000 1.144 228 P CA 0.485 63.619 63.100 0.058 0.000 0.800 228 P CB 0.361 32.061 31.700 0.001 0.000 0.772 229 I N -1.490 119.085 120.570 0.009 0.000 2.439 229 I HA -0.118 4.052 4.170 -0.000 0.000 0.251 229 I C 2.105 178.218 176.117 -0.007 0.000 1.139 229 I CA 0.859 62.122 61.300 -0.062 0.000 1.438 229 I CB -1.545 36.446 38.000 -0.015 0.000 1.085 229 I HN 0.004 nan 8.210 nan 0.000 0.427 230 L N 0.660 121.998 121.223 0.191 0.000 2.042 230 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 230 L C 2.601 179.593 176.870 0.203 0.000 1.076 230 L CA 1.890 56.918 54.840 0.314 0.000 0.749 230 L CB -1.137 41.195 42.059 0.455 0.000 0.893 230 L HN 0.269 nan 8.230 nan 0.000 0.432 231 Y N 0.018 120.192 120.300 -0.209 0.000 2.224 231 Y HA -0.270 4.280 4.550 -0.000 0.000 0.289 231 Y C 2.498 178.215 175.900 -0.305 0.000 1.146 231 Y CA 2.039 59.785 58.100 -0.590 0.000 1.182 231 Y CB -0.178 37.542 38.460 -1.232 0.000 0.983 231 Y HN 0.398 nan 8.280 nan 0.000 0.524 232 Q N -1.072 118.607 119.800 -0.201 0.000 2.124 232 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 232 Q C 1.948 177.969 176.000 0.034 0.000 0.977 232 Q CA 1.464 57.163 55.803 -0.174 0.000 0.850 232 Q CB -0.336 28.241 28.738 -0.268 0.000 0.901 232 Q HN 0.624 nan 8.270 nan 0.000 0.429 233 H N 0.721 119.857 119.070 0.111 0.000 2.299 233 H HA -0.043 4.513 4.556 -0.000 0.000 0.302 233 H C 2.288 177.576 175.328 -0.067 0.000 1.078 233 H CA 1.074 57.208 56.048 0.144 0.000 1.323 233 H CB -0.290 29.564 29.762 0.152 0.000 1.381 233 H HN 0.184 nan 8.280 nan 0.000 0.498 234 L N -0.458 120.760 121.223 -0.007 0.000 1.989 234 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 234 L C 2.569 179.345 176.870 -0.157 0.000 1.071 234 L CA 1.445 56.211 54.840 -0.123 0.000 0.749 234 L CB -0.682 41.293 42.059 -0.141 0.000 0.890 234 L HN 0.115 nan 8.230 nan 0.000 0.431 235 F N -0.085 119.553 119.950 -0.520 0.000 2.046 235 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 235 F C 2.146 177.712 175.800 -0.392 0.000 1.123 235 F CA 1.664 59.304 58.000 -0.600 0.000 1.199 235 F CB -0.526 37.872 39.000 -1.003 0.000 0.972 235 F HN -0.032 nan 8.300 nan 0.000 0.474 236 W N -1.028 120.336 121.300 0.107 0.000 2.421 236 W HA -0.176 4.484 4.660 -0.000 0.000 0.270 236 W C 2.227 178.730 176.519 -0.027 0.000 1.233 236 W CA 0.583 57.941 57.345 0.020 0.000 1.226 236 W CB -0.617 28.952 29.460 0.181 0.000 1.121 236 W HN 0.120 nan 8.180 nan 0.000 0.579 237 F N -0.159 119.745 119.950 -0.077 0.000 2.216 237 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 237 F C 2.102 177.839 175.800 -0.105 0.000 1.085 237 F CA 1.587 59.461 58.000 -0.210 0.000 1.326 237 F CB -0.543 38.210 39.000 -0.411 0.000 1.027 237 F HN -0.027 nan 8.300 nan 0.000 0.497 238 F N 0.157 120.003 119.950 -0.173 0.000 2.220 238 F HA 0.242 4.769 4.527 -0.000 0.000 0.290 238 F C 2.305 177.893 175.800 -0.353 0.000 1.080 238 F CA 1.254 59.086 58.000 -0.279 0.000 1.318 238 F CB -1.241 37.572 39.000 -0.312 0.000 1.063 238 F HN -0.116 nan 8.300 nan 0.000 0.498 239 G N -0.339 107.859 108.800 -1.004 0.000 2.545 239 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.222 239 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.222 239 G C 1.478 176.144 174.900 -0.389 0.000 1.126 239 G CA 1.691 46.234 45.100 -0.928 0.000 0.754 239 G HN 0.574 nan 8.290 nan 0.000 0.583 240 H N 1.358 120.303 119.070 -0.209 0.000 2.294 240 H HA 0.056 4.612 4.556 -0.000 0.000 0.306 240 H C 0.270 175.331 175.328 -0.445 0.000 1.065 240 H CA 1.302 57.231 56.048 -0.198 0.000 1.343 240 H CB -0.528 29.190 29.762 -0.074 0.000 1.396 240 H HN 0.233 nan 8.280 nan 0.000 0.506 241 P HA -0.203 nan 4.420 nan 0.000 0.218 241 P C 1.185 178.192 177.300 -0.488 0.000 1.152 241 P CA 2.063 64.838 63.100 -0.541 0.000 0.857 241 P CB 0.015 31.197 31.700 -0.864 0.000 0.787 242 E N -0.059 119.731 120.200 -0.684 0.000 2.130 242 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 242 E C 1.642 177.959 176.600 -0.473 0.000 0.998 242 E CA 1.573 57.598 56.400 -0.626 0.000 0.806 242 E CB -1.142 27.956 29.700 -1.003 0.000 0.738 242 E HN 0.177 nan 8.360 nan 0.000 0.459 243 V N -1.527 118.046 119.914 -0.569 0.000 2.871 243 V HA -0.085 4.035 4.120 -0.000 0.000 0.256 243 V C 1.781 177.643 176.094 -0.387 0.000 1.082 243 V CA 1.241 63.233 62.300 -0.512 0.000 1.105 243 V CB -0.861 30.610 31.823 -0.587 0.000 0.713 243 V HN 0.140 nan 8.190 nan 0.000 0.473 244 Y N 0.447 120.580 120.300 -0.279 0.000 2.365 244 Y HA 0.294 4.844 4.550 -0.000 0.000 0.293 244 Y C 2.336 178.129 175.900 -0.179 0.000 1.119 244 Y CA 0.459 58.448 58.100 -0.184 0.000 1.203 244 Y CB -0.473 37.927 38.460 -0.101 0.000 1.026 244 Y HN 0.201 nan 8.280 nan 0.000 0.549 245 I N -0.553 119.989 120.570 -0.046 0.000 2.423 245 I HA -0.303 3.867 4.170 -0.000 0.000 0.254 245 I C 1.865 177.916 176.117 -0.111 0.000 1.151 245 I CA 1.279 62.536 61.300 -0.071 0.000 1.421 245 I CB -0.254 37.686 38.000 -0.100 0.000 1.079 245 I HN 0.185 nan 8.210 nan 0.000 0.431 246 L N -0.639 120.491 121.223 -0.156 0.000 2.270 246 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 246 L C 2.219 179.007 176.870 -0.137 0.000 1.104 246 L CA 0.631 55.373 54.840 -0.163 0.000 0.804 246 L CB 0.007 41.932 42.059 -0.224 0.000 0.937 246 L HN 0.221 nan 8.230 nan 0.000 0.450 247 I N -0.902 119.570 120.570 -0.164 0.000 3.526 247 I HA -0.054 4.116 4.170 -0.000 0.000 0.294 247 I C 2.025 177.854 176.117 -0.479 0.000 1.229 247 I CA 0.813 61.932 61.300 -0.303 0.000 1.408 247 I CB 0.190 37.952 38.000 -0.396 0.000 1.127 247 I HN 0.016 nan 8.210 nan 0.000 0.439 248 L N 1.283 122.326 121.223 -0.300 0.000 1.990 248 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 248 L C -0.368 176.515 176.870 0.021 0.000 1.072 248 L CA 1.816 56.582 54.840 -0.123 0.000 0.755 248 L CB -1.985 40.074 42.059 -0.001 0.000 0.889 248 L HN 0.173 nan 8.230 nan 0.000 0.432 249 P HA -0.128 nan 4.420 nan 0.000 0.219 249 P C 1.436 178.829 177.300 0.155 0.000 1.146 249 P CA 1.587 64.746 63.100 0.098 0.000 0.808 249 P CB -0.147 31.592 31.700 0.064 0.000 0.779 250 G N -1.484 107.336 108.800 0.034 0.000 2.403 250 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 250 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 250 G C 1.186 176.094 174.900 0.014 0.000 1.154 250 G CA 0.229 45.316 45.100 -0.022 0.000 0.784 250 G HN 0.098 nan 8.290 nan 0.000 0.538 251 F N 2.019 121.985 119.950 0.026 0.000 2.095 251 F HA 0.011 4.538 4.527 -0.000 0.000 0.298 251 F C 2.855 178.782 175.800 0.211 0.000 1.104 251 F CA 0.546 58.646 58.000 0.166 0.000 1.232 251 F CB -1.123 38.015 39.000 0.230 0.000 0.987 251 F HN 0.181 nan 8.300 nan 0.000 0.475 252 G N -0.157 108.906 108.800 0.438 0.000 2.514 252 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 252 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 252 G C 1.770 176.892 174.900 0.370 0.000 1.198 252 G CA 1.121 46.500 45.100 0.465 0.000 0.780 252 G HN 0.262 nan 8.290 nan 0.000 0.565 253 M N 0.100 119.806 119.600 0.177 0.000 2.108 253 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 253 M C 2.514 178.788 176.300 -0.043 0.000 1.066 253 M CA 1.082 56.381 55.300 -0.001 0.000 1.107 253 M CB -0.420 32.094 32.600 -0.143 0.000 1.356 253 M HN 0.131 nan 8.290 nan 0.000 0.406 254 I N -0.044 120.404 120.570 -0.203 0.000 2.163 254 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 254 I C 2.475 178.410 176.117 -0.304 0.000 1.085 254 I CA 1.527 62.540 61.300 -0.478 0.000 1.347 254 I CB -1.490 35.854 38.000 -1.093 0.000 1.044 254 I HN 0.249 nan 8.210 nan 0.000 0.408 255 S N -0.168 115.564 115.700 0.053 0.000 2.370 255 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 255 S C 1.942 176.671 174.600 0.216 0.000 1.033 255 S CA 1.416 59.804 58.200 0.313 0.000 1.011 255 S CB -0.462 63.051 63.200 0.523 0.000 0.852 255 S HN 0.500 nan 8.310 nan 0.000 0.457 256 H N 0.907 120.047 119.070 0.116 0.000 2.357 256 H HA 0.124 4.680 4.556 -0.000 0.000 0.301 256 H C 2.008 177.280 175.328 -0.093 0.000 1.082 256 H CA 1.302 57.407 56.048 0.095 0.000 1.342 256 H CB -0.326 29.561 29.762 0.209 0.000 1.389 256 H HN 0.319 nan 8.280 nan 0.000 0.511 257 I N -0.730 119.777 120.570 -0.105 0.000 2.202 257 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 257 I C 2.136 178.250 176.117 -0.004 0.000 1.091 257 I CA 0.798 61.968 61.300 -0.217 0.000 1.368 257 I CB -0.240 37.580 38.000 -0.300 0.000 1.058 257 I HN 0.076 nan 8.210 nan 0.000 0.410 258 V N 0.680 120.552 119.914 -0.070 0.000 2.332 258 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 258 V C 2.519 178.634 176.094 0.035 0.000 1.055 258 V CA 2.517 64.795 62.300 -0.037 0.000 1.038 258 V CB -0.884 30.880 31.823 -0.098 0.000 0.651 258 V HN 0.489 nan 8.190 nan 0.000 0.450 259 T N -1.247 113.339 114.554 0.054 0.000 2.737 259 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 259 T C 1.744 176.453 174.700 0.014 0.000 1.038 259 T CA 1.961 64.095 62.100 0.057 0.000 1.144 259 T CB -0.382 68.527 68.868 0.068 0.000 0.866 259 T HN 0.548 nan 8.240 nan 0.000 0.434 260 Y N 0.775 120.975 120.300 -0.166 0.000 2.128 260 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 260 Y C 1.720 177.351 175.900 -0.449 0.000 1.154 260 Y CA 1.332 59.231 58.100 -0.336 0.000 1.149 260 Y CB -0.339 37.815 38.460 -0.511 0.000 0.976 260 Y HN 0.265 nan 8.280 nan 0.000 0.505 261 Y N -1.326 118.982 120.300 0.014 0.000 2.529 261 Y HA 0.032 4.582 4.550 -0.000 0.000 0.290 261 Y C 2.109 177.914 175.900 -0.158 0.000 1.177 261 Y CA 0.756 58.800 58.100 -0.093 0.000 1.305 261 Y CB -0.038 38.356 38.460 -0.110 0.000 1.047 261 Y HN 0.007 nan 8.280 nan 0.000 0.522 262 S N -1.075 114.596 115.700 -0.048 0.000 2.556 262 S HA 0.205 4.675 4.470 -0.000 0.000 0.216 262 S C 1.775 176.320 174.600 -0.092 0.000 0.970 262 S CA 0.556 58.721 58.200 -0.059 0.000 0.912 262 S CB 0.021 63.211 63.200 -0.016 0.000 0.790 262 S HN 0.650 nan 8.310 nan 0.000 0.504 263 G N 1.723 110.421 108.800 -0.170 0.000 2.168 263 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 263 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 263 G C 0.040 174.858 174.900 -0.136 0.000 0.997 263 G CA 0.451 45.429 45.100 -0.203 0.000 0.708 263 G HN 0.398 nan 8.290 nan 0.000 0.520 264 K N -0.248 120.099 120.400 -0.089 0.000 2.098 264 K HA 0.599 4.919 4.320 -0.000 0.000 0.257 264 K C 1.555 178.135 176.600 -0.033 0.000 0.999 264 K CA -0.602 55.665 56.287 -0.032 0.000 0.924 264 K CB 0.579 33.094 32.500 0.025 0.000 1.028 264 K HN -0.068 nan 8.250 nan 0.000 0.466 265 K N 1.246 121.641 120.400 -0.008 0.000 2.021 265 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 265 K C 0.088 176.703 176.600 0.024 0.000 1.047 265 K CA 1.363 57.650 56.287 0.001 0.000 0.943 265 K CB 0.041 32.542 32.500 0.003 0.000 0.725 265 K HN 0.804 nan 8.250 nan 0.000 0.439 266 E N 0.897 121.121 120.200 0.040 0.000 2.392 266 E HA 0.402 4.752 4.350 -0.000 0.000 0.269 266 E C -2.771 173.897 176.600 0.113 0.000 0.924 266 E CA -2.288 54.150 56.400 0.064 0.000 0.784 266 E CB 1.960 31.684 29.700 0.039 0.000 1.292 266 E HN -0.199 nan 8.360 nan 0.000 0.447 267 P HA 0.063 nan 4.420 nan 0.000 0.274 267 P C -0.777 176.674 177.300 0.251 0.000 1.231 267 P CA -0.375 62.862 63.100 0.228 0.000 0.790 267 P CB 0.470 32.325 31.700 0.260 0.000 0.951 268 F N 1.806 121.834 119.950 0.129 0.000 2.529 268 F HA 0.339 4.866 4.527 -0.000 0.000 0.365 268 F C 1.411 177.265 175.800 0.089 0.000 1.102 268 F CA 1.338 59.399 58.000 0.102 0.000 1.271 268 F CB -0.129 38.928 39.000 0.095 0.000 1.120 268 F HN 0.705 nan 8.300 nan 0.000 0.579 269 G N 5.838 114.366 108.800 -0.454 0.000 2.371 269 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.299 269 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.299 269 G C 0.426 175.326 174.900 0.002 0.000 1.014 269 G CA 0.680 45.636 45.100 -0.240 0.000 1.097 269 G HN 1.075 nan 8.290 nan 0.000 0.512 270 Y N 0.243 120.505 120.300 -0.065 0.000 2.102 270 Y HA -0.247 4.303 4.550 -0.000 0.000 0.280 270 Y C 2.583 178.469 175.900 -0.023 0.000 1.178 270 Y CA 2.648 60.748 58.100 -0.000 0.000 1.146 270 Y CB -0.078 38.405 38.460 0.038 0.000 0.968 270 Y HN 0.396 nan 8.280 nan 0.000 0.504 271 M N -0.171 119.474 119.600 0.075 0.000 2.296 271 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 271 M C 2.350 178.587 176.300 -0.106 0.000 1.064 271 M CA 1.282 56.540 55.300 -0.070 0.000 1.109 271 M CB -1.742 30.855 32.600 -0.006 0.000 1.396 271 M HN 0.504 nan 8.290 nan 0.000 0.430 272 G N -0.468 108.289 108.800 -0.072 0.000 2.403 272 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 272 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 272 G C 1.526 176.454 174.900 0.046 0.000 1.154 272 G CA 0.439 45.535 45.100 -0.007 0.000 0.784 272 G HN 0.288 nan 8.290 nan 0.000 0.538 273 M N 0.244 119.791 119.600 -0.089 0.000 2.175 273 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 273 M C 2.518 178.664 176.300 -0.257 0.000 1.063 273 M CA 0.858 56.059 55.300 -0.164 0.000 1.119 273 M CB -0.170 32.330 32.600 -0.167 0.000 1.377 273 M HN 0.050 nan 8.290 nan 0.000 0.415 274 V N -1.505 118.157 119.914 -0.419 0.000 2.358 274 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 274 V C 1.933 177.817 176.094 -0.350 0.000 1.047 274 V CA 1.852 63.765 62.300 -0.644 0.000 1.035 274 V CB -0.867 30.358 31.823 -0.996 0.000 0.658 274 V HN 0.772 nan 8.190 nan 0.000 0.452 275 W N 1.192 122.293 121.300 -0.332 0.000 2.335 275 W HA -0.233 4.427 4.660 -0.000 0.000 0.311 275 W C 2.433 178.860 176.519 -0.153 0.000 1.213 275 W CA 2.351 59.574 57.345 -0.203 0.000 1.274 275 W CB -0.491 28.879 29.460 -0.150 0.000 1.148 275 W HN 0.195 nan 8.180 nan 0.000 0.498 276 A N 0.663 123.442 122.820 -0.068 0.000 1.873 276 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 276 A C 2.049 179.425 177.584 -0.345 0.000 1.193 276 A CA 2.639 54.486 52.037 -0.316 0.000 0.629 276 A CB -1.067 17.861 19.000 -0.120 0.000 0.826 276 A HN 0.446 nan 8.150 nan 0.000 0.447 277 M N -1.647 117.816 119.600 -0.227 0.000 2.159 277 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 277 M C 2.470 178.685 176.300 -0.142 0.000 1.063 277 M CA 1.769 56.993 55.300 -0.126 0.000 1.110 277 M CB -0.431 32.139 32.600 -0.051 0.000 1.374 277 M HN 0.429 nan 8.290 nan 0.000 0.411 278 M N -0.367 119.109 119.600 -0.207 0.000 2.117 278 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 278 M C 2.318 178.527 176.300 -0.153 0.000 1.065 278 M CA 1.544 56.759 55.300 -0.142 0.000 1.114 278 M CB -0.153 32.356 32.600 -0.152 0.000 1.361 278 M HN 0.204 nan 8.290 nan 0.000 0.408 279 S N 0.695 116.163 115.700 -0.388 0.000 2.348 279 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 279 S C 1.756 176.264 174.600 -0.152 0.000 1.033 279 S CA 1.277 59.274 58.200 -0.338 0.000 1.010 279 S CB -0.469 62.254 63.200 -0.796 0.000 0.891 279 S HN 0.403 nan 8.310 nan 0.000 0.442 280 I N 1.479 121.914 120.570 -0.224 0.000 2.194 280 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 280 I C 2.662 178.691 176.117 -0.146 0.000 1.093 280 I CA 1.306 62.472 61.300 -0.224 0.000 1.355 280 I CB -0.911 36.943 38.000 -0.244 0.000 1.046 280 I HN 0.386 nan 8.210 nan 0.000 0.413 281 G N 0.471 109.259 108.800 -0.019 0.000 2.408 281 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 281 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 281 G C 1.541 176.619 174.900 0.297 0.000 1.150 281 G CA 0.455 45.634 45.100 0.132 0.000 0.776 281 G HN 0.343 nan 8.290 nan 0.000 0.542 282 F N 1.284 121.296 119.950 0.103 0.000 2.098 282 F HA 0.165 4.692 4.527 -0.000 0.000 0.294 282 F C 2.396 178.311 175.800 0.192 0.000 1.107 282 F CA 0.855 58.950 58.000 0.158 0.000 1.234 282 F CB -0.464 38.569 39.000 0.055 0.000 1.002 282 F HN 0.024 nan 8.300 nan 0.000 0.472 283 L N 0.327 121.402 121.223 -0.246 0.000 2.127 283 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 283 L C 2.713 179.527 176.870 -0.094 0.000 1.089 283 L CA 1.241 55.893 54.840 -0.314 0.000 0.757 283 L CB -1.620 40.357 42.059 -0.136 0.000 0.899 283 L HN 0.384 nan 8.230 nan 0.000 0.434 284 G N -0.746 108.102 108.800 0.081 0.000 2.501 284 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 284 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 284 G C 1.297 176.217 174.900 0.033 0.000 1.114 284 G CA 0.417 45.683 45.100 0.277 0.000 0.757 284 G HN 0.273 nan 8.290 nan 0.000 0.559 285 F N 0.254 120.198 119.950 -0.010 0.000 2.698 285 F HA 0.278 4.805 4.527 -0.000 0.000 0.295 285 F C 2.040 177.878 175.800 0.063 0.000 1.124 285 F CA 0.105 58.063 58.000 -0.069 0.000 1.426 285 F CB 0.337 39.305 39.000 -0.054 0.000 1.120 285 F HN 0.210 nan 8.300 nan 0.000 0.583 286 I N -1.408 119.279 120.570 0.195 0.000 3.816 286 I HA 0.248 4.418 4.170 -0.000 0.000 0.334 286 I C 0.285 176.528 176.117 0.211 0.000 1.551 286 I CA 0.049 61.537 61.300 0.314 0.000 1.153 286 I CB 0.019 38.087 38.000 0.113 0.000 1.197 286 I HN -0.078 nan 8.210 nan 0.000 0.439 287 V N -3.352 116.663 119.914 0.167 0.000 3.337 287 V HA 0.202 4.322 4.120 -0.000 0.000 0.307 287 V C 1.628 177.503 176.094 -0.365 0.000 1.505 287 V CA -0.278 62.009 62.300 -0.022 0.000 1.072 287 V CB -1.009 30.698 31.823 -0.193 0.000 0.929 287 V HN 0.709 nan 8.190 nan 0.000 0.455 288 W N 2.435 123.638 121.300 -0.162 0.000 2.290 288 W HA -0.203 4.457 4.660 -0.000 0.000 0.311 288 W C 1.927 178.174 176.519 -0.454 0.000 1.238 288 W CA 2.427 59.646 57.345 -0.210 0.000 1.255 288 W CB -1.192 28.342 29.460 0.123 0.000 1.145 288 W HN 0.258 nan 8.180 nan 0.000 0.506 289 A N 1.717 123.691 122.820 -1.410 0.000 2.225 289 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 289 A C 1.820 178.714 177.584 -1.151 0.000 1.164 289 A CA 1.410 52.608 52.037 -1.397 0.000 0.710 289 A CB -1.862 15.718 19.000 -2.367 0.000 0.780 289 A HN 0.821 nan 8.150 nan 0.000 0.473 290 H N -3.291 115.175 119.070 -1.008 0.000 2.559 290 H HA 0.009 4.565 4.556 -0.000 0.000 0.273 290 H C 0.817 175.213 175.328 -1.554 0.000 1.000 290 H CA 0.879 55.972 56.048 -1.592 0.000 1.195 290 H CB -0.319 28.909 29.762 -0.891 0.000 1.368 290 H HN 0.652 nan 8.280 nan 0.000 0.592 291 H N 0.474 119.047 119.070 -0.828 0.000 2.526 291 H HA 0.230 4.786 4.556 -0.000 0.000 0.274 291 H C 0.440 175.419 175.328 -0.582 0.000 0.999 291 H CA 0.239 55.811 56.048 -0.793 0.000 1.157 291 H CB 0.515 29.328 29.762 -1.582 0.000 1.407 291 H HN 0.465 nan 8.280 nan 0.000 0.568 292 M N -0.374 118.918 119.600 -0.514 0.000 3.017 292 M HA 0.109 4.589 4.480 -0.000 0.000 0.423 292 M C 0.168 176.365 176.300 -0.171 0.000 1.395 292 M CA -0.225 54.910 55.300 -0.275 0.000 0.816 292 M CB 0.538 33.021 32.600 -0.194 0.000 1.440 292 M HN -0.096 nan 8.290 nan 0.000 0.506 293 F N 0.985 120.781 119.950 -0.256 0.000 2.216 293 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 293 F C 2.565 178.252 175.800 -0.188 0.000 1.085 293 F CA 1.516 59.393 58.000 -0.205 0.000 1.326 293 F CB -0.810 38.080 39.000 -0.185 0.000 1.027 293 F HN 0.255 nan 8.300 nan 0.000 0.497 294 T N -3.438 111.055 114.554 -0.102 0.000 3.251 294 T HA 0.238 4.588 4.350 -0.000 0.000 0.259 294 T C 1.286 175.960 174.700 -0.043 0.000 0.998 294 T CA 0.212 62.260 62.100 -0.087 0.000 0.905 294 T CB -0.329 68.459 68.868 -0.133 0.000 1.067 294 T HN -0.012 nan 8.240 nan 0.000 0.569 295 V N 0.560 120.457 119.914 -0.028 0.000 3.590 295 V HA 0.450 4.570 4.120 -0.000 0.000 0.265 295 V C 1.796 177.903 176.094 0.022 0.000 1.239 295 V CA 0.896 63.194 62.300 -0.004 0.000 1.117 295 V CB -0.053 31.752 31.823 -0.031 0.000 0.818 295 V HN 0.874 nan 8.190 nan 0.000 0.451 296 G N 0.430 109.248 108.800 0.031 0.000 2.173 296 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.174 296 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.174 296 G C -0.118 174.817 174.900 0.058 0.000 1.025 296 G CA -0.003 45.122 45.100 0.042 0.000 0.706 296 G HN 0.348 nan 8.290 nan 0.000 0.499 297 M N 0.444 120.086 119.600 0.070 0.000 2.267 297 M HA 0.383 4.863 4.480 -0.000 0.000 0.303 297 M C 0.126 176.476 176.300 0.083 0.000 1.164 297 M CA -0.725 54.633 55.300 0.096 0.000 1.060 297 M CB 0.332 33.006 32.600 0.125 0.000 1.455 297 M HN 0.032 nan 8.290 nan 0.000 0.483 298 D N 1.064 121.520 120.400 0.093 0.000 2.455 298 D HA -0.030 4.610 4.640 -0.000 0.000 0.241 298 D C 0.928 177.269 176.300 0.068 0.000 1.138 298 D CA 0.003 54.047 54.000 0.074 0.000 0.877 298 D CB 0.960 41.806 40.800 0.077 0.000 1.187 298 D HN 0.389 nan 8.370 nan 0.000 0.451 299 V N 2.794 122.732 119.914 0.039 0.000 2.324 299 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 299 V C 1.341 177.454 176.094 0.032 0.000 1.060 299 V CA 2.012 64.323 62.300 0.018 0.000 1.042 299 V CB -0.078 31.747 31.823 0.002 0.000 0.650 299 V HN 0.470 nan 8.190 nan 0.000 0.450 300 D N -0.247 120.181 120.400 0.046 0.000 2.097 300 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 300 D C 2.267 178.629 176.300 0.104 0.000 0.989 300 D CA 2.233 56.266 54.000 0.056 0.000 0.827 300 D CB -0.602 40.226 40.800 0.046 0.000 0.966 300 D HN 0.667 nan 8.370 nan 0.000 0.456 301 T N -0.353 114.286 114.554 0.141 0.000 2.821 301 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 301 T C 2.021 176.929 174.700 0.347 0.000 1.046 301 T CA 0.956 63.209 62.100 0.254 0.000 1.139 301 T CB -0.016 69.018 68.868 0.277 0.000 0.871 301 T HN -0.029 nan 8.240 nan 0.000 0.454 302 R N 0.337 120.966 120.500 0.215 0.000 2.152 302 R HA 0.160 4.500 4.340 -0.000 0.000 0.232 302 R C 2.772 179.099 176.300 0.044 0.000 1.117 302 R CA 1.222 57.414 56.100 0.152 0.000 0.981 302 R CB -0.488 29.808 30.300 -0.006 0.000 0.870 302 R HN 0.587 nan 8.270 nan 0.000 0.451 303 A N -0.276 122.568 122.820 0.040 0.000 1.930 303 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 303 A C 1.856 179.443 177.584 0.005 0.000 1.176 303 A CA 0.903 52.933 52.037 -0.011 0.000 0.632 303 A CB -0.615 18.386 19.000 0.001 0.000 0.819 303 A HN 0.472 nan 8.150 nan 0.000 0.445 304 Y N -0.061 120.220 120.300 -0.032 0.000 2.070 304 Y HA -0.237 4.313 4.550 -0.000 0.000 0.280 304 Y C 1.827 177.628 175.900 -0.164 0.000 1.148 304 Y CA 1.885 59.897 58.100 -0.148 0.000 1.125 304 Y CB -0.871 37.422 38.460 -0.279 0.000 0.975 304 Y HN 0.236 nan 8.280 nan 0.000 0.492 305 F N 0.636 120.327 119.950 -0.432 0.000 2.307 305 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 305 F C 2.748 178.450 175.800 -0.164 0.000 1.076 305 F CA 1.893 59.631 58.000 -0.437 0.000 1.383 305 F CB -0.929 37.993 39.000 -0.130 0.000 1.055 305 F HN 0.324 nan 8.300 nan 0.000 0.526 306 T N -3.695 110.892 114.554 0.056 0.000 2.978 306 T HA -0.063 4.287 4.350 -0.000 0.000 0.262 306 T C 2.162 176.821 174.700 -0.068 0.000 1.063 306 T CA 1.320 63.445 62.100 0.041 0.000 1.140 306 T CB -0.436 68.373 68.868 -0.099 0.000 0.886 306 T HN 0.122 nan 8.240 nan 0.000 0.470 307 S N 1.899 117.512 115.700 -0.144 0.000 2.335 307 S HA 0.193 4.663 4.470 -0.000 0.000 0.217 307 S C 2.665 177.160 174.600 -0.177 0.000 1.032 307 S CA 0.978 59.097 58.200 -0.135 0.000 0.985 307 S CB -1.031 62.101 63.200 -0.114 0.000 0.896 307 S HN 0.758 nan 8.310 nan 0.000 0.445 308 A N 1.401 124.001 122.820 -0.368 0.000 1.927 308 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 308 A C 2.279 179.754 177.584 -0.182 0.000 1.185 308 A CA 2.269 54.094 52.037 -0.354 0.000 0.639 308 A CB -1.435 17.109 19.000 -0.759 0.000 0.820 308 A HN 0.493 nan 8.150 nan 0.000 0.451 309 T N -0.302 114.176 114.554 -0.126 0.000 2.867 309 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 309 T C 1.820 176.506 174.700 -0.024 0.000 1.057 309 T CA 1.547 63.637 62.100 -0.018 0.000 1.136 309 T CB -0.249 68.664 68.868 0.076 0.000 0.874 309 T HN 0.471 nan 8.240 nan 0.000 0.466 310 M N 0.882 120.458 119.600 -0.039 0.000 2.349 310 M HA 0.142 4.622 4.480 -0.000 0.000 0.266 310 M C 2.117 178.415 176.300 -0.003 0.000 1.076 310 M CA 1.009 56.296 55.300 -0.022 0.000 1.126 310 M CB -0.407 32.177 32.600 -0.028 0.000 1.392 310 M HN 0.337 nan 8.290 nan 0.000 0.440 311 I N -1.997 118.567 120.570 -0.009 0.000 3.001 311 I HA -0.118 4.052 4.170 -0.000 0.000 0.268 311 I C 1.682 177.811 176.117 0.019 0.000 1.267 311 I CA 0.884 62.192 61.300 0.014 0.000 1.472 311 I CB -0.624 37.387 38.000 0.019 0.000 1.089 311 I HN 0.197 nan 8.210 nan 0.000 0.468 312 I N 2.050 122.629 120.570 0.014 0.000 2.756 312 I HA -0.156 4.014 4.170 -0.000 0.000 0.262 312 I C 2.908 179.047 176.117 0.037 0.000 1.225 312 I CA 0.954 62.265 61.300 0.018 0.000 1.472 312 I CB -0.422 37.618 38.000 0.067 0.000 1.094 312 I HN 0.314 nan 8.210 nan 0.000 0.454 313 A N 1.442 124.291 122.820 0.048 0.000 1.972 313 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 313 A C 2.275 179.901 177.584 0.070 0.000 1.169 313 A CA 1.198 53.270 52.037 0.059 0.000 0.635 313 A CB -0.542 18.487 19.000 0.048 0.000 0.810 313 A HN 0.335 nan 8.150 nan 0.000 0.446 314 I N 0.509 121.127 120.570 0.080 0.000 2.058 314 I HA -0.191 3.979 4.170 -0.000 0.000 0.235 314 I C -0.227 175.974 176.117 0.140 0.000 1.053 314 I CA 1.864 63.241 61.300 0.127 0.000 1.313 314 I CB -1.310 36.783 38.000 0.156 0.000 1.039 314 I HN 0.242 nan 8.210 nan 0.000 0.396 315 P HA -0.160 nan 4.420 nan 0.000 0.215 315 P C 1.603 178.876 177.300 -0.044 0.000 1.153 315 P CA 1.908 65.002 63.100 -0.010 0.000 0.853 315 P CB -0.373 31.124 31.700 -0.338 0.000 0.788 316 T N -0.360 114.169 114.554 -0.041 0.000 2.759 316 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 316 T C 2.126 176.767 174.700 -0.099 0.000 1.042 316 T CA 1.814 63.883 62.100 -0.053 0.000 1.140 316 T CB -1.164 67.780 68.868 0.128 0.000 0.864 316 T HN 0.245 nan 8.240 nan 0.000 0.455 317 G N 1.506 110.298 108.800 -0.014 0.000 2.418 317 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 317 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 317 G C 1.838 176.749 174.900 0.019 0.000 1.158 317 G CA 1.089 46.179 45.100 -0.016 0.000 0.771 317 G HN 0.553 nan 8.290 nan 0.000 0.545 318 V N -0.451 119.519 119.914 0.092 0.000 2.594 318 V HA -0.060 4.060 4.120 -0.000 0.000 0.253 318 V C 2.361 178.395 176.094 -0.100 0.000 1.069 318 V CA 2.458 64.824 62.300 0.109 0.000 1.082 318 V CB -0.431 31.504 31.823 0.187 0.000 0.680 318 V HN 0.352 nan 8.190 nan 0.000 0.469 319 K N 0.210 120.405 120.400 -0.341 0.000 2.031 319 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 319 K C 2.242 178.232 176.600 -1.018 0.000 1.049 319 K CA 1.486 57.290 56.287 -0.805 0.000 0.939 319 K CB -0.440 31.392 32.500 -1.114 0.000 0.717 319 K HN 0.474 nan 8.250 nan 0.000 0.438 320 V N 1.197 120.704 119.914 -0.679 0.000 2.287 320 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 320 V C 2.092 178.046 176.094 -0.233 0.000 1.053 320 V CA 1.807 63.894 62.300 -0.355 0.000 1.027 320 V CB -0.559 31.056 31.823 -0.347 0.000 0.646 320 V HN 0.140 nan 8.190 nan 0.000 0.447 321 F N 0.403 120.316 119.950 -0.061 0.000 2.293 321 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 321 F C 2.647 178.386 175.800 -0.101 0.000 1.086 321 F CA 1.338 59.308 58.000 -0.051 0.000 1.375 321 F CB -0.998 37.971 39.000 -0.052 0.000 1.045 321 F HN 0.031 nan 8.300 nan 0.000 0.516 322 S N -1.079 114.627 115.700 0.010 0.000 2.368 322 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 322 S C 1.878 176.543 174.600 0.109 0.000 1.029 322 S CA 0.972 59.194 58.200 0.036 0.000 0.988 322 S CB -0.383 62.832 63.200 0.025 0.000 0.838 322 S HN 0.396 nan 8.310 nan 0.000 0.462 323 W N 1.105 122.440 121.300 0.059 0.000 2.374 323 W HA 0.027 4.687 4.660 -0.000 0.000 0.288 323 W C 1.794 178.337 176.519 0.040 0.000 1.218 323 W CA 0.165 57.541 57.345 0.053 0.000 1.245 323 W CB -1.180 28.308 29.460 0.046 0.000 1.126 323 W HN 0.295 nan 8.180 nan 0.000 0.545 324 L N 0.652 122.036 121.223 0.268 0.000 2.027 324 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 324 L C 2.696 179.592 176.870 0.043 0.000 1.074 324 L CA 2.332 57.269 54.840 0.161 0.000 0.745 324 L CB -1.736 40.434 42.059 0.184 0.000 0.898 324 L HN -0.084 nan 8.230 nan 0.000 0.433 325 A N -1.678 121.080 122.820 -0.104 0.000 2.024 325 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 325 A C 2.316 179.852 177.584 -0.079 0.000 1.164 325 A CA 2.222 54.043 52.037 -0.361 0.000 0.643 325 A CB -0.924 17.367 19.000 -1.182 0.000 0.806 325 A HN 0.467 nan 8.150 nan 0.000 0.451 326 T N 0.266 114.876 114.554 0.093 0.000 2.857 326 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 326 T C 1.723 176.509 174.700 0.143 0.000 1.048 326 T CA 1.299 63.515 62.100 0.193 0.000 1.139 326 T CB -0.311 68.705 68.868 0.247 0.000 0.874 326 T HN 0.400 nan 8.240 nan 0.000 0.455 327 L N 0.121 121.416 121.223 0.120 0.000 2.201 327 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 327 L C 2.316 179.254 176.870 0.113 0.000 1.105 327 L CA 0.763 55.651 54.840 0.081 0.000 0.775 327 L CB -0.661 41.435 42.059 0.062 0.000 0.913 327 L HN 0.296 nan 8.230 nan 0.000 0.440 328 H N 1.070 120.146 119.070 0.010 0.000 2.760 328 H HA -0.263 4.293 4.556 -0.000 0.000 0.231 328 H C 1.855 177.191 175.328 0.013 0.000 1.018 328 H CA 1.793 57.844 56.048 0.004 0.000 1.430 328 H CB -0.795 28.959 29.762 -0.014 0.000 1.930 328 H HN 0.216 nan 8.280 nan 0.000 0.981 329 G N 0.182 108.877 108.800 -0.175 0.000 3.061 329 G HA2 0.170 4.130 3.960 -0.000 0.000 0.208 329 G HA3 0.170 4.130 3.960 -0.000 0.000 0.208 329 G C 0.733 175.581 174.900 -0.086 0.000 1.175 329 G CA 0.464 45.429 45.100 -0.225 0.000 0.812 329 G HN 0.695 nan 8.290 nan 0.000 0.523 330 G N 0.134 108.913 108.800 -0.034 0.000 2.630 330 G HA2 0.201 4.161 3.960 -0.000 0.000 0.236 330 G HA3 0.201 4.161 3.960 -0.000 0.000 0.236 330 G C -0.006 174.869 174.900 -0.041 0.000 1.248 330 G CA -0.500 44.581 45.100 -0.032 0.000 0.844 330 G HN 0.251 nan 8.290 nan 0.000 0.588 331 N N 0.613 119.283 118.700 -0.050 0.000 2.918 331 N HA 0.189 4.929 4.740 -0.000 0.000 0.247 331 N C -0.061 175.418 175.510 -0.052 0.000 1.117 331 N CA -0.592 52.431 53.050 -0.043 0.000 1.005 331 N CB -0.119 38.335 38.487 -0.055 0.000 1.297 331 N HN 0.265 nan 8.380 nan 0.000 0.513 332 I N 1.521 122.060 120.570 -0.053 0.000 2.683 332 I HA -0.028 4.142 4.170 -0.000 0.000 0.286 332 I C 0.902 176.959 176.117 -0.100 0.000 1.175 332 I CA 0.602 61.826 61.300 -0.127 0.000 1.429 332 I CB 0.443 38.301 38.000 -0.236 0.000 1.371 332 I HN 0.333 nan 8.210 nan 0.000 0.569 333 K N 6.271 126.600 120.400 -0.118 0.000 2.425 333 K HA 0.246 4.566 4.320 -0.000 0.000 0.259 333 K C -1.163 175.360 176.600 -0.129 0.000 0.978 333 K CA -0.624 55.661 56.287 -0.004 0.000 0.883 333 K CB 0.594 33.174 32.500 0.133 0.000 1.110 333 K HN 0.470 nan 8.250 nan 0.000 0.436 334 W N 4.311 125.582 121.300 -0.048 0.000 1.224 334 W HA 0.028 4.688 4.660 -0.000 0.000 0.503 334 W C 0.570 176.995 176.519 -0.156 0.000 0.592 334 W CA -0.343 56.930 57.345 -0.119 0.000 2.414 334 W CB -0.273 29.123 29.460 -0.107 0.000 1.352 334 W HN 0.408 nan 8.180 nan 0.000 0.226 335 S N -0.305 115.317 115.700 -0.130 0.000 2.652 335 S HA 0.365 4.835 4.470 -0.000 0.000 0.270 335 S C -1.506 172.934 174.600 -0.267 0.000 1.243 335 S CA -1.291 56.796 58.200 -0.188 0.000 0.999 335 S CB 1.838 64.820 63.200 -0.363 0.000 0.973 335 S HN -0.044 nan 8.310 nan 0.000 0.544 336 P HA -0.140 nan 4.420 nan 0.000 0.215 336 P C 1.678 178.892 177.300 -0.143 0.000 1.163 336 P CA 2.256 65.280 63.100 -0.126 0.000 0.894 336 P CB -0.280 31.464 31.700 0.073 0.000 0.791 337 A N -1.147 121.582 122.820 -0.152 0.000 1.940 337 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 337 A C 2.216 179.595 177.584 -0.342 0.000 1.176 337 A CA 2.298 54.239 52.037 -0.159 0.000 0.631 337 A CB -1.472 17.366 19.000 -0.270 0.000 0.814 337 A HN 0.145 nan 8.150 nan 0.000 0.446 338 M N -0.644 118.588 119.600 -0.613 0.000 2.229 338 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 338 M C 1.947 177.986 176.300 -0.436 0.000 1.063 338 M CA 1.587 56.572 55.300 -0.525 0.000 1.114 338 M CB -0.596 31.637 32.600 -0.612 0.000 1.387 338 M HN 0.433 nan 8.290 nan 0.000 0.420 339 M N -2.062 117.218 119.600 -0.532 0.000 2.132 339 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 339 M C 1.872 177.670 176.300 -0.838 0.000 1.065 339 M CA 1.769 56.565 55.300 -0.840 0.000 1.122 339 M CB -0.661 31.128 32.600 -1.353 0.000 1.365 339 M HN 0.363 nan 8.290 nan 0.000 0.411 340 W N 0.399 121.381 121.300 -0.529 0.000 2.388 340 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 340 W C 2.742 179.277 176.519 0.027 0.000 1.212 340 W CA 1.045 58.267 57.345 -0.204 0.000 1.271 340 W CB -0.409 28.961 29.460 -0.150 0.000 1.126 340 W HN 0.214 nan 8.180 nan 0.000 0.535 341 A N 0.132 123.007 122.820 0.093 0.000 1.933 341 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 341 A C 1.918 179.558 177.584 0.093 0.000 1.175 341 A CA 1.387 53.426 52.037 0.003 0.000 0.628 341 A CB -0.933 17.967 19.000 -0.168 0.000 0.814 341 A HN 0.296 nan 8.150 nan 0.000 0.444 342 L N -0.846 120.405 121.223 0.048 0.000 2.027 342 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 342 L C 2.884 179.960 176.870 0.343 0.000 1.074 342 L CA 1.013 55.926 54.840 0.122 0.000 0.745 342 L CB -0.947 41.114 42.059 0.004 0.000 0.898 342 L HN 0.466 nan 8.230 nan 0.000 0.433 343 G N 0.068 109.147 108.800 0.465 0.000 2.491 343 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.218 343 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.218 343 G C 1.499 176.851 174.900 0.754 0.000 1.180 343 G CA 0.958 46.544 45.100 0.810 0.000 0.774 343 G HN 0.296 nan 8.290 nan 0.000 0.562 344 F N 1.650 121.968 119.950 0.613 0.000 2.065 344 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 344 F C 2.559 178.558 175.800 0.331 0.000 1.112 344 F CA 1.743 59.980 58.000 0.394 0.000 1.212 344 F CB -0.360 38.801 39.000 0.268 0.000 0.975 344 F HN 0.133 nan 8.300 nan 0.000 0.476 345 I N -0.844 120.084 120.570 0.598 0.000 2.194 345 I HA -0.335 3.835 4.170 -0.000 0.000 0.246 345 I C 2.308 178.685 176.117 0.433 0.000 1.093 345 I CA 1.689 63.293 61.300 0.506 0.000 1.355 345 I CB -0.663 37.577 38.000 0.400 0.000 1.046 345 I HN 0.257 nan 8.210 nan 0.000 0.413 346 F N 1.135 121.243 119.950 0.263 0.000 2.074 346 F HA -0.104 4.423 4.527 -0.000 0.000 0.290 346 F C 2.137 178.036 175.800 0.163 0.000 1.118 346 F CA 1.316 59.441 58.000 0.210 0.000 1.199 346 F CB -0.433 38.705 39.000 0.230 0.000 1.012 346 F HN -0.185 nan 8.300 nan 0.000 0.472 347 L N 0.021 121.273 121.223 0.048 0.000 2.013 347 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 347 L C 2.392 179.169 176.870 -0.156 0.000 1.073 347 L CA 1.840 56.603 54.840 -0.128 0.000 0.753 347 L CB -2.005 39.968 42.059 -0.144 0.000 0.890 347 L HN 0.326 nan 8.230 nan 0.000 0.432 348 F N 0.164 119.920 119.950 -0.323 0.000 2.171 348 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 348 F C 2.379 178.075 175.800 -0.174 0.000 1.090 348 F CA 1.798 59.578 58.000 -0.365 0.000 1.293 348 F CB -0.390 38.148 39.000 -0.770 0.000 1.013 348 F HN 0.036 nan 8.300 nan 0.000 0.486 349 T N 0.222 114.702 114.554 -0.124 0.000 2.708 349 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 349 T C 2.162 176.673 174.700 -0.315 0.000 1.037 349 T CA 1.714 63.706 62.100 -0.179 0.000 1.146 349 T CB -0.635 68.213 68.868 -0.034 0.000 0.865 349 T HN 0.134 nan 8.240 nan 0.000 0.435 350 V N 1.355 121.037 119.914 -0.388 0.000 2.255 350 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 350 V C 2.879 178.774 176.094 -0.332 0.000 1.051 350 V CA 2.105 64.179 62.300 -0.377 0.000 1.018 350 V CB -1.340 30.215 31.823 -0.446 0.000 0.641 350 V HN 0.609 nan 8.190 nan 0.000 0.445 351 G N -0.441 108.180 108.800 -0.299 0.000 2.448 351 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 351 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 351 G C 1.496 176.254 174.900 -0.238 0.000 1.127 351 G CA 0.944 45.883 45.100 -0.268 0.000 0.766 351 G HN 0.619 nan 8.290 nan 0.000 0.552 352 G N 0.019 108.559 108.800 -0.432 0.000 2.603 352 G HA2 0.084 4.044 3.960 -0.000 0.000 0.214 352 G HA3 0.084 4.044 3.960 -0.000 0.000 0.214 352 G C 1.555 176.362 174.900 -0.156 0.000 1.140 352 G CA 0.261 45.169 45.100 -0.321 0.000 0.800 352 G HN 0.292 nan 8.290 nan 0.000 0.533 353 L N 0.811 121.929 121.223 -0.174 0.000 2.056 353 L HA 0.076 4.416 4.340 -0.000 0.000 0.207 353 L C 2.885 179.709 176.870 -0.076 0.000 1.078 353 L CA 1.738 56.515 54.840 -0.106 0.000 0.749 353 L CB -1.004 40.987 42.059 -0.113 0.000 0.901 353 L HN 0.140 nan 8.230 nan 0.000 0.433 354 T N -1.191 113.309 114.554 -0.090 0.000 2.929 354 T HA -0.101 4.249 4.350 -0.000 0.000 0.271 354 T C 1.564 176.225 174.700 -0.064 0.000 1.085 354 T CA 1.156 63.228 62.100 -0.046 0.000 1.125 354 T CB -0.286 68.490 68.868 -0.153 0.000 0.874 354 T HN 0.554 nan 8.240 nan 0.000 0.494 355 G N 0.428 109.155 108.800 -0.121 0.000 2.551 355 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 355 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 355 G C 1.412 176.174 174.900 -0.231 0.000 1.137 355 G CA -0.026 44.837 45.100 -0.395 0.000 0.798 355 G HN 0.408 nan 8.290 nan 0.000 0.536 356 I N 0.973 121.475 120.570 -0.114 0.000 2.353 356 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 356 I C 2.845 178.916 176.117 -0.076 0.000 1.119 356 I CA 0.569 61.821 61.300 -0.080 0.000 1.417 356 I CB -0.695 37.279 38.000 -0.043 0.000 1.078 356 I HN 0.009 nan 8.210 nan 0.000 0.421 357 V N 1.268 121.149 119.914 -0.054 0.000 2.233 357 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 357 V C 2.518 178.567 176.094 -0.076 0.000 1.050 357 V CA 1.661 63.935 62.300 -0.044 0.000 1.010 357 V CB -0.549 31.290 31.823 0.027 0.000 0.637 357 V HN 0.330 nan 8.190 nan 0.000 0.444 358 L N 0.140 121.310 121.223 -0.089 0.000 2.353 358 L HA -0.113 4.227 4.340 -0.000 0.000 0.220 358 L C 2.532 179.353 176.870 -0.082 0.000 1.133 358 L CA 0.992 55.768 54.840 -0.106 0.000 0.798 358 L CB -0.787 41.160 42.059 -0.188 0.000 0.922 358 L HN 0.368 nan 8.230 nan 0.000 0.445 359 A N 0.075 122.831 122.820 -0.108 0.000 2.015 359 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 359 A C 0.813 178.425 177.584 0.047 0.000 1.163 359 A CA 0.751 52.760 52.037 -0.048 0.000 0.646 359 A CB -0.738 18.213 19.000 -0.082 0.000 0.806 359 A HN 0.467 nan 8.150 nan 0.000 0.448 360 N N 0.605 119.278 118.700 -0.044 0.000 2.405 360 N HA 0.234 4.974 4.740 -0.000 0.000 0.260 360 N C 1.189 176.552 175.510 -0.244 0.000 1.152 360 N CA 0.400 53.370 53.050 -0.133 0.000 0.948 360 N CB 1.134 39.552 38.487 -0.116 0.000 1.111 360 N HN 0.376 nan 8.380 nan 0.000 0.485 361 S N 1.519 116.852 115.700 -0.613 0.000 2.359 361 S HA -0.283 4.187 4.470 -0.000 0.000 0.224 361 S C 1.961 176.316 174.600 -0.408 0.000 1.035 361 S CA 1.458 59.061 58.200 -0.994 0.000 1.018 361 S CB -0.662 61.705 63.200 -1.389 0.000 0.876 361 S HN 0.623 nan 8.310 nan 0.000 0.448 362 S N 2.921 118.449 115.700 -0.287 0.000 2.359 362 S HA -0.101 4.369 4.470 -0.000 0.000 0.222 362 S C 1.833 176.359 174.600 -0.124 0.000 1.038 362 S CA 1.340 59.439 58.200 -0.169 0.000 1.051 362 S CB -1.047 62.073 63.200 -0.132 0.000 0.944 362 S HN 0.341 nan 8.310 nan 0.000 0.433 363 L N 2.593 123.743 121.223 -0.122 0.000 2.141 363 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 363 L C 2.057 178.876 176.870 -0.086 0.000 1.094 363 L CA 1.920 56.698 54.840 -0.105 0.000 0.763 363 L CB -1.081 40.907 42.059 -0.117 0.000 0.908 363 L HN 0.368 nan 8.230 nan 0.000 0.437 364 D N -0.983 119.379 120.400 -0.062 0.000 2.264 364 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 364 D C 2.258 178.595 176.300 0.062 0.000 0.966 364 D CA 0.763 54.781 54.000 0.030 0.000 0.864 364 D CB -0.025 40.888 40.800 0.189 0.000 0.933 364 D HN 0.417 nan 8.370 nan 0.000 0.499 365 I N -0.290 120.284 120.570 0.008 0.000 2.208 365 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 365 I C 2.220 178.368 176.117 0.052 0.000 1.097 365 I CA 0.944 62.261 61.300 0.028 0.000 1.363 365 I CB -0.114 37.879 38.000 -0.012 0.000 1.051 365 I HN 0.078 nan 8.210 nan 0.000 0.413 366 V N 0.408 120.329 119.914 0.012 0.000 3.506 366 V HA 0.016 4.136 4.120 -0.000 0.000 0.263 366 V C 1.784 177.875 176.094 -0.006 0.000 1.203 366 V CA 0.818 63.122 62.300 0.007 0.000 1.133 366 V CB 0.267 32.080 31.823 -0.016 0.000 0.802 366 V HN 0.295 nan 8.190 nan 0.000 0.459 367 L N -0.371 120.841 121.223 -0.018 0.000 2.463 367 L HA 0.238 4.578 4.340 -0.000 0.000 0.219 367 L C 1.287 178.184 176.870 0.044 0.000 1.088 367 L CA 0.096 54.907 54.840 -0.048 0.000 0.849 367 L CB -0.361 41.594 42.059 -0.173 0.000 1.012 367 L HN 0.473 nan 8.230 nan 0.000 0.468 368 H N 0.699 119.770 119.070 0.001 0.000 2.929 368 H HA -0.118 4.438 4.556 -0.000 0.000 0.358 368 H C 0.429 175.777 175.328 0.033 0.000 1.111 368 H CA 0.599 56.663 56.048 0.026 0.000 1.409 368 H CB 0.287 30.076 29.762 0.046 0.000 1.373 368 H HN 0.093 nan 8.280 nan 0.000 0.610 369 D N 1.393 121.353 120.400 -0.734 0.000 2.792 369 D HA -0.217 4.423 4.640 -0.000 0.000 0.231 369 D C -0.291 175.887 176.300 -0.205 0.000 1.160 369 D CA 1.497 55.199 54.000 -0.497 0.000 0.697 369 D CB -0.849 39.632 40.800 -0.532 0.000 1.070 369 D HN 0.761 nan 8.370 nan 0.000 0.426 370 T N -4.234 110.249 114.554 -0.119 0.000 2.883 370 T HA 0.413 4.763 4.350 -0.000 0.000 0.284 370 T C 1.020 175.702 174.700 -0.030 0.000 1.041 370 T CA -0.716 61.357 62.100 -0.045 0.000 1.007 370 T CB 0.895 69.763 68.868 -0.000 0.000 1.220 370 T HN -0.101 nan 8.240 nan 0.000 0.552 371 Y N -0.552 119.675 120.300 -0.121 0.000 2.616 371 Y HA 0.102 4.652 4.550 -0.000 0.000 0.296 371 Y C 1.958 177.768 175.900 -0.150 0.000 1.154 371 Y CA 0.315 58.331 58.100 -0.140 0.000 1.325 371 Y CB -0.623 37.729 38.460 -0.179 0.000 1.007 371 Y HN 0.802 nan 8.280 nan 0.000 0.542 372 Y N -0.567 119.665 120.300 -0.113 0.000 2.145 372 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 372 Y C 2.588 178.363 175.900 -0.208 0.000 1.145 372 Y CA 1.809 59.799 58.100 -0.183 0.000 1.148 372 Y CB -0.458 37.934 38.460 -0.114 0.000 0.981 372 Y HN -0.006 nan 8.280 nan 0.000 0.507 373 V N -0.932 119.005 119.914 0.038 0.000 2.759 373 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 373 V C 1.780 177.764 176.094 -0.182 0.000 1.080 373 V CA 1.830 64.154 62.300 0.041 0.000 1.101 373 V CB -0.727 31.186 31.823 0.150 0.000 0.698 373 V HN 0.271 nan 8.190 nan 0.000 0.477 374 V N 0.870 120.528 119.914 -0.428 0.000 2.548 374 V HA -0.061 4.059 4.120 -0.000 0.000 0.249 374 V C 2.962 178.583 176.094 -0.788 0.000 1.055 374 V CA 1.808 63.585 62.300 -0.871 0.000 1.065 374 V CB -1.098 30.278 31.823 -0.746 0.000 0.681 374 V HN 0.675 nan 8.190 nan 0.000 0.462 375 A N 0.019 122.492 122.820 -0.578 0.000 1.872 375 A HA -0.245 4.075 4.320 -0.000 0.000 0.214 375 A C 2.113 179.391 177.584 -0.509 0.000 1.187 375 A CA 2.005 53.684 52.037 -0.597 0.000 0.614 375 A CB -0.841 17.474 19.000 -1.143 0.000 0.826 375 A HN 0.718 nan 8.150 nan 0.000 0.442 376 H N 0.449 119.167 119.070 -0.586 0.000 2.265 376 H HA -0.254 4.302 4.556 -0.000 0.000 0.293 376 H C 1.601 176.807 175.328 -0.204 0.000 1.089 376 H CA 2.705 58.536 56.048 -0.362 0.000 1.244 376 H CB -0.767 28.866 29.762 -0.214 0.000 1.355 376 H HN 0.602 nan 8.280 nan 0.000 0.485 377 F N -1.581 118.094 119.950 -0.458 0.000 2.661 377 F HA 0.126 4.653 4.527 -0.000 0.000 0.298 377 F C 1.678 177.119 175.800 -0.599 0.000 1.137 377 F CA 0.737 58.376 58.000 -0.602 0.000 1.454 377 F CB -0.758 38.005 39.000 -0.397 0.000 1.103 377 F HN 0.176 nan 8.300 nan 0.000 0.577 378 H N -1.774 116.919 119.070 -0.628 0.000 2.497 378 H HA 0.060 4.616 4.556 -0.000 0.000 0.282 378 H C 1.411 176.348 175.328 -0.653 0.000 1.003 378 H CA 1.442 57.003 56.048 -0.812 0.000 1.307 378 H CB -0.324 28.392 29.762 -1.744 0.000 1.437 378 H HN 0.222 nan 8.280 nan 0.000 0.544 379 Y N 0.240 120.227 120.300 -0.521 0.000 2.163 379 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 379 Y C 2.502 178.185 175.900 -0.361 0.000 1.136 379 Y CA 1.486 59.355 58.100 -0.385 0.000 1.147 379 Y CB -0.407 37.861 38.460 -0.319 0.000 0.987 379 Y HN 0.136 nan 8.280 nan 0.000 0.509 380 V N -2.550 117.226 119.914 -0.230 0.000 2.970 380 V HA -0.113 4.007 4.120 -0.000 0.000 0.260 380 V C 1.610 177.627 176.094 -0.128 0.000 1.100 380 V CA 1.333 63.532 62.300 -0.168 0.000 1.122 380 V CB -0.722 30.966 31.823 -0.225 0.000 0.721 380 V HN 0.342 nan 8.190 nan 0.000 0.483 381 L N -0.488 120.601 121.223 -0.223 0.000 2.347 381 L HA 0.170 4.510 4.340 -0.000 0.000 0.196 381 L C 2.676 179.453 176.870 -0.155 0.000 1.072 381 L CA 1.052 55.773 54.840 -0.199 0.000 0.817 381 L CB -0.431 41.454 42.059 -0.290 0.000 1.029 381 L HN 0.135 nan 8.230 nan 0.000 0.478 382 S N 0.375 115.941 115.700 -0.223 0.000 2.406 382 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 382 S C 1.417 175.954 174.600 -0.104 0.000 1.020 382 S CA 1.116 59.271 58.200 -0.074 0.000 0.965 382 S CB 0.055 63.260 63.200 0.008 0.000 0.798 382 S HN 0.361 nan 8.310 nan 0.000 0.488 383 M N -0.729 118.645 119.600 -0.376 0.000 2.596 383 M HA 0.449 4.929 4.480 -0.000 0.000 0.364 383 M C 0.830 176.802 176.300 -0.546 0.000 1.158 383 M CA -0.136 54.620 55.300 -0.905 0.000 0.940 383 M CB 0.493 32.442 32.600 -1.085 0.000 1.388 383 M HN 0.157 nan 8.290 nan 0.000 0.522 384 G N 0.848 109.560 108.800 -0.147 0.000 2.474 384 G HA2 0.452 4.412 3.960 -0.000 0.000 0.182 384 G HA3 0.452 4.412 3.960 -0.000 0.000 0.182 384 G C 1.075 176.193 174.900 0.362 0.000 1.702 384 G CA 0.506 45.620 45.100 0.023 0.000 0.708 384 G HN 0.278 nan 8.290 nan 0.000 0.753 385 A N 0.174 123.114 122.820 0.201 0.000 1.884 385 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 385 A C 2.542 180.235 177.584 0.182 0.000 1.197 385 A CA 2.691 54.823 52.037 0.158 0.000 0.637 385 A CB -1.032 17.981 19.000 0.022 0.000 0.827 385 A HN 0.555 nan 8.150 nan 0.000 0.450 386 V N -1.359 118.662 119.914 0.178 0.000 2.407 386 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 386 V C 2.329 178.609 176.094 0.309 0.000 1.055 386 V CA 1.931 64.356 62.300 0.208 0.000 1.049 386 V CB -0.932 31.022 31.823 0.218 0.000 0.662 386 V HN 0.528 nan 8.190 nan 0.000 0.455 387 F N 0.862 120.929 119.950 0.196 0.000 2.171 387 F HA -0.086 4.441 4.527 -0.000 0.000 0.300 387 F C 2.407 178.285 175.800 0.129 0.000 1.090 387 F CA 0.895 59.072 58.000 0.294 0.000 1.293 387 F CB -1.257 38.107 39.000 0.607 0.000 1.013 387 F HN 0.118 nan 8.300 nan 0.000 0.486 388 A N 0.217 123.226 122.820 0.315 0.000 1.902 388 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 388 A C 2.361 179.915 177.584 -0.050 0.000 1.181 388 A CA 1.514 53.557 52.037 0.010 0.000 0.623 388 A CB -1.054 17.889 19.000 -0.095 0.000 0.818 388 A HN 0.346 nan 8.150 nan 0.000 0.443 389 I N -0.623 119.955 120.570 0.013 0.000 2.208 389 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 389 I C 2.596 178.725 176.117 0.020 0.000 1.097 389 I CA 1.281 62.615 61.300 0.056 0.000 1.363 389 I CB -0.289 37.779 38.000 0.114 0.000 1.051 389 I HN 0.307 nan 8.210 nan 0.000 0.413 390 M N 0.033 119.495 119.600 -0.231 0.000 2.132 390 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 390 M C 2.430 178.459 176.300 -0.452 0.000 1.065 390 M CA 1.738 56.718 55.300 -0.534 0.000 1.122 390 M CB -1.779 29.896 32.600 -1.542 0.000 1.365 390 M HN 0.285 nan 8.290 nan 0.000 0.411 391 G N -0.026 108.550 108.800 -0.372 0.000 2.421 391 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 391 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 391 G C 1.584 176.441 174.900 -0.070 0.000 1.171 391 G CA 1.034 46.064 45.100 -0.117 0.000 0.775 391 G HN 0.540 nan 8.290 nan 0.000 0.543 392 G N 0.266 109.025 108.800 -0.068 0.000 2.402 392 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 392 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 392 G C 1.613 176.733 174.900 0.367 0.000 1.162 392 G CA 0.892 46.010 45.100 0.030 0.000 0.777 392 G HN 0.340 nan 8.290 nan 0.000 0.539 393 F N 2.040 122.170 119.950 0.300 0.000 2.075 393 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 393 F C 2.778 178.725 175.800 0.245 0.000 1.113 393 F CA 2.045 60.311 58.000 0.444 0.000 1.218 393 F CB -0.475 38.703 39.000 0.295 0.000 0.984 393 F HN 0.071 nan 8.300 nan 0.000 0.472 394 V N -1.521 118.448 119.914 0.092 0.000 2.626 394 V HA -0.224 3.896 4.120 -0.000 0.000 0.252 394 V C 2.340 178.420 176.094 -0.023 0.000 1.067 394 V CA 2.333 64.617 62.300 -0.027 0.000 1.081 394 V CB -1.495 30.395 31.823 0.111 0.000 0.686 394 V HN 0.556 nan 8.190 nan 0.000 0.468 395 H N -1.018 117.967 119.070 -0.142 0.000 2.363 395 H HA -0.038 4.518 4.556 -0.000 0.000 0.301 395 H C 1.800 176.946 175.328 -0.304 0.000 1.074 395 H CA 2.173 58.056 56.048 -0.276 0.000 1.354 395 H CB -0.084 29.331 29.762 -0.579 0.000 1.397 395 H HN 0.533 nan 8.280 nan 0.000 0.516 396 W N -0.543 120.588 121.300 -0.281 0.000 3.211 396 W HA 0.052 4.712 4.660 -0.000 0.000 0.292 396 W C 1.373 177.305 176.519 -0.979 0.000 1.268 396 W CA -0.327 56.561 57.345 -0.762 0.000 1.702 396 W CB -0.669 28.200 29.460 -0.985 0.000 1.092 396 W HN 0.204 nan 8.180 nan 0.000 0.643 397 F N 2.811 122.409 119.950 -0.586 0.000 2.085 397 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 397 F C -0.786 174.764 175.800 -0.415 0.000 1.096 397 F CA 1.984 59.629 58.000 -0.592 0.000 1.227 397 F CB -1.684 36.912 39.000 -0.674 0.000 0.983 397 F HN -0.239 nan 8.300 nan 0.000 0.482 398 P HA -0.192 nan 4.420 nan 0.000 0.216 398 P C 1.925 179.054 177.300 -0.285 0.000 1.150 398 P CA 1.512 64.451 63.100 -0.268 0.000 0.837 398 P CB -0.146 31.548 31.700 -0.010 0.000 0.786 399 L N -1.700 119.294 121.223 -0.381 0.000 2.056 399 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 399 L C 1.970 178.553 176.870 -0.478 0.000 1.078 399 L CA 2.019 56.564 54.840 -0.491 0.000 0.749 399 L CB -1.306 40.168 42.059 -0.975 0.000 0.901 399 L HN -0.154 nan 8.230 nan 0.000 0.433 400 F N -0.370 119.150 119.950 -0.717 0.000 2.163 400 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 400 F C 2.815 178.334 175.800 -0.469 0.000 1.094 400 F CA 1.077 58.511 58.000 -0.944 0.000 1.290 400 F CB -1.593 36.814 39.000 -0.989 0.000 1.017 400 F HN 0.379 nan 8.300 nan 0.000 0.483 401 S N -1.573 113.872 115.700 -0.426 0.000 2.475 401 S HA 0.423 4.893 4.470 -0.000 0.000 0.224 401 S C 1.935 176.261 174.600 -0.456 0.000 1.042 401 S CA 0.614 58.573 58.200 -0.402 0.000 0.935 401 S CB 0.337 63.041 63.200 -0.826 0.000 0.801 401 S HN 0.524 nan 8.310 nan 0.000 0.509 402 G N -0.085 108.443 108.800 -0.453 0.000 2.234 402 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.235 402 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.235 402 G C -0.149 174.492 174.900 -0.431 0.000 0.997 402 G CA 0.254 45.108 45.100 -0.410 0.000 0.623 402 G HN 0.510 nan 8.290 nan 0.000 0.514 403 Y N 1.583 121.750 120.300 -0.223 0.000 2.488 403 Y HA 0.677 5.227 4.550 -0.000 0.000 0.325 403 Y C 1.080 176.900 175.900 -0.133 0.000 1.204 403 Y CA -0.477 57.522 58.100 -0.167 0.000 1.229 403 Y CB 1.371 39.711 38.460 -0.199 0.000 1.274 403 Y HN 0.304 nan 8.280 nan 0.000 0.493 404 T N -0.550 114.095 114.554 0.151 0.000 2.945 404 T HA 0.778 5.128 4.350 -0.000 0.000 0.286 404 T C -0.568 174.210 174.700 0.130 0.000 1.025 404 T CA -0.931 61.245 62.100 0.126 0.000 1.039 404 T CB 0.957 69.866 68.868 0.068 0.000 1.068 404 T HN 0.450 nan 8.240 nan 0.000 0.497 405 L N 1.809 123.093 121.223 0.102 0.000 2.375 405 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 405 L C 0.850 177.747 176.870 0.044 0.000 1.058 405 L CA -1.182 53.660 54.840 0.004 0.000 0.803 405 L CB 0.789 42.811 42.059 -0.062 0.000 1.212 405 L HN 0.703 nan 8.230 nan 0.000 0.451 406 N N 1.183 119.926 118.700 0.071 0.000 2.402 406 N HA -0.036 4.704 4.740 -0.000 0.000 0.259 406 N C 0.246 175.861 175.510 0.175 0.000 1.167 406 N CA 0.031 53.174 53.050 0.155 0.000 0.949 406 N CB 0.868 39.545 38.487 0.317 0.000 1.212 406 N HN 0.546 nan 8.380 nan 0.000 0.493 407 D N 2.106 122.574 120.400 0.113 0.000 2.149 407 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 407 D C 1.242 177.612 176.300 0.117 0.000 1.001 407 D CA 1.711 55.772 54.000 0.102 0.000 0.849 407 D CB 0.076 40.914 40.800 0.063 0.000 0.939 407 D HN 0.545 nan 8.370 nan 0.000 0.449 408 T N -0.807 113.796 114.554 0.081 0.000 2.708 408 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 408 T C 1.753 176.521 174.700 0.114 0.000 1.037 408 T CA 1.180 63.295 62.100 0.024 0.000 1.146 408 T CB -0.587 68.219 68.868 -0.104 0.000 0.865 408 T HN 0.355 nan 8.240 nan 0.000 0.435 409 W N 1.261 122.626 121.300 0.109 0.000 2.335 409 W HA -0.073 4.587 4.660 -0.000 0.000 0.311 409 W C 2.892 179.522 176.519 0.186 0.000 1.213 409 W CA 0.551 57.992 57.345 0.159 0.000 1.274 409 W CB -0.372 29.191 29.460 0.171 0.000 1.148 409 W HN 0.213 nan 8.180 nan 0.000 0.498 410 A N 0.354 123.419 122.820 0.408 0.000 1.978 410 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 410 A C 1.852 179.652 177.584 0.359 0.000 1.170 410 A CA 1.894 54.142 52.037 0.351 0.000 0.636 410 A CB -0.559 18.587 19.000 0.243 0.000 0.810 410 A HN 0.319 nan 8.150 nan 0.000 0.448 411 K N -0.788 119.758 120.400 0.244 0.000 2.116 411 K HA 0.107 4.427 4.320 -0.000 0.000 0.203 411 K C 1.790 178.513 176.600 0.206 0.000 1.052 411 K CA 1.027 57.410 56.287 0.160 0.000 0.952 411 K CB -0.253 32.291 32.500 0.073 0.000 0.729 411 K HN 0.500 nan 8.250 nan 0.000 0.446 412 I N 0.807 121.522 120.570 0.242 0.000 2.226 412 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 412 I C 2.563 178.847 176.117 0.279 0.000 1.100 412 I CA 1.443 62.885 61.300 0.238 0.000 1.374 412 I CB -0.306 37.883 38.000 0.314 0.000 1.057 412 I HN 0.230 nan 8.210 nan 0.000 0.413 413 H N 0.449 119.691 119.070 0.287 0.000 2.422 413 H HA -0.279 4.277 4.556 -0.000 0.000 0.298 413 H C 1.899 177.376 175.328 0.249 0.000 1.098 413 H CA 1.901 58.127 56.048 0.296 0.000 1.315 413 H CB -0.216 29.767 29.762 0.369 0.000 1.382 413 H HN 0.371 nan 8.280 nan 0.000 0.523 414 F N 0.642 120.519 119.950 -0.123 0.000 2.128 414 F HA 0.021 4.548 4.527 -0.000 0.000 0.295 414 F C 2.485 178.073 175.800 -0.352 0.000 1.100 414 F CA 1.412 59.044 58.000 -0.613 0.000 1.260 414 F CB -1.033 37.441 39.000 -0.876 0.000 1.009 414 F HN 0.240 nan 8.300 nan 0.000 0.476 415 A N 1.364 124.037 122.820 -0.246 0.000 1.873 415 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 415 A C 2.324 179.806 177.584 -0.170 0.000 1.193 415 A CA 2.403 54.295 52.037 -0.242 0.000 0.629 415 A CB -1.399 17.576 19.000 -0.041 0.000 0.826 415 A HN 0.535 nan 8.150 nan 0.000 0.447 416 I N -1.547 118.976 120.570 -0.079 0.000 2.142 416 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 416 I C 2.709 178.793 176.117 -0.055 0.000 1.078 416 I CA 2.142 63.428 61.300 -0.024 0.000 1.343 416 I CB -0.329 37.700 38.000 0.049 0.000 1.046 416 I HN 0.447 nan 8.210 nan 0.000 0.405 417 M N 0.231 119.763 119.600 -0.112 0.000 2.213 417 M HA -0.236 4.244 4.480 -0.000 0.000 0.263 417 M C 2.065 178.364 176.300 -0.001 0.000 1.062 417 M CA 1.796 57.078 55.300 -0.030 0.000 1.105 417 M CB -0.319 32.296 32.600 0.025 0.000 1.385 417 M HN 0.180 nan 8.290 nan 0.000 0.417 418 F N -0.510 119.220 119.950 -0.367 0.000 2.146 418 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 418 F C 1.765 177.484 175.800 -0.134 0.000 1.096 418 F CA 1.626 59.444 58.000 -0.303 0.000 1.275 418 F CB -0.388 38.148 39.000 -0.773 0.000 1.008 418 F HN -0.055 nan 8.300 nan 0.000 0.480 419 V N 0.185 120.077 119.914 -0.036 0.000 2.270 419 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 419 V C 2.788 178.827 176.094 -0.092 0.000 1.043 419 V CA 1.888 64.154 62.300 -0.057 0.000 1.014 419 V CB -1.691 30.133 31.823 0.001 0.000 0.645 419 V HN 0.498 nan 8.190 nan 0.000 0.447 420 G N 0.905 109.673 108.800 -0.053 0.000 2.553 420 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 420 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 420 G C 1.781 176.615 174.900 -0.110 0.000 1.195 420 G CA 2.089 47.158 45.100 -0.051 0.000 0.779 420 G HN 0.621 nan 8.290 nan 0.000 0.577 421 V N -0.367 119.500 119.914 -0.079 0.000 2.490 421 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 421 V C 2.181 178.179 176.094 -0.160 0.000 1.061 421 V CA 2.467 64.722 62.300 -0.076 0.000 1.064 421 V CB -0.910 30.970 31.823 0.095 0.000 0.670 421 V HN 0.334 nan 8.190 nan 0.000 0.461 422 N N 0.193 118.749 118.700 -0.239 0.000 2.171 422 N HA -0.045 4.695 4.740 -0.000 0.000 0.184 422 N C 1.857 177.327 175.510 -0.066 0.000 1.021 422 N CA 1.876 54.799 53.050 -0.211 0.000 0.854 422 N CB -0.359 37.918 38.487 -0.350 0.000 0.994 422 N HN 0.558 nan 8.380 nan 0.000 0.426 423 M N 0.274 119.820 119.600 -0.091 0.000 2.159 423 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 423 M C 1.316 177.566 176.300 -0.084 0.000 1.063 423 M CA 1.297 56.580 55.300 -0.028 0.000 1.110 423 M CB -0.076 32.511 32.600 -0.022 0.000 1.374 423 M HN 0.103 nan 8.290 nan 0.000 0.411 424 T N 0.354 114.748 114.554 -0.266 0.000 2.701 424 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 424 T C 1.082 175.456 174.700 -0.542 0.000 1.040 424 T CA 1.550 63.334 62.100 -0.527 0.000 1.147 424 T CB -0.301 67.945 68.868 -1.037 0.000 0.865 424 T HN 0.392 nan 8.240 nan 0.000 0.426 425 F N -0.368 119.567 119.950 -0.025 0.000 2.714 425 F HA 0.373 4.900 4.527 -0.000 0.000 0.294 425 F C 1.648 177.536 175.800 0.146 0.000 1.120 425 F CA -1.197 56.807 58.000 0.007 0.000 1.398 425 F CB -0.623 38.372 39.000 -0.008 0.000 1.120 425 F HN 0.037 nan 8.300 nan 0.000 0.589 426 F N 2.616 122.652 119.950 0.143 0.000 2.075 426 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 426 F C -0.676 174.999 175.800 -0.208 0.000 1.113 426 F CA 0.918 58.965 58.000 0.077 0.000 1.218 426 F CB -1.746 37.246 39.000 -0.012 0.000 0.984 426 F HN -0.130 nan 8.300 nan 0.000 0.472 427 P HA -0.228 nan 4.420 nan 0.000 0.216 427 P C 1.296 178.296 177.300 -0.500 0.000 1.153 427 P CA 2.141 64.947 63.100 -0.490 0.000 0.858 427 P CB -0.264 31.401 31.700 -0.058 0.000 0.789 428 Q N -1.825 117.811 119.800 -0.273 0.000 2.376 428 Q HA -0.243 4.097 4.340 -0.000 0.000 0.211 428 Q C 1.740 177.540 176.000 -0.333 0.000 0.986 428 Q CA 1.274 56.956 55.803 -0.203 0.000 0.886 428 Q CB -0.738 27.981 28.738 -0.031 0.000 0.927 428 Q HN 0.552 nan 8.270 nan 0.000 0.457 429 H N -1.038 117.656 119.070 -0.625 0.000 2.395 429 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 429 H C 1.377 176.530 175.328 -0.292 0.000 1.070 429 H CA 1.437 57.129 56.048 -0.594 0.000 1.356 429 H CB 0.070 29.263 29.762 -0.949 0.000 1.401 429 H HN 0.194 nan 8.280 nan 0.000 0.524 430 F N 0.325 120.145 119.950 -0.216 0.000 2.060 430 F HA -0.100 4.427 4.527 -0.000 0.000 0.295 430 F C 2.253 178.029 175.800 -0.041 0.000 1.120 430 F CA 0.754 58.638 58.000 -0.194 0.000 1.205 430 F CB -1.163 37.511 39.000 -0.543 0.000 0.986 430 F HN 0.042 nan 8.300 nan 0.000 0.470 431 L N -0.075 121.219 121.223 0.118 0.000 2.137 431 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 431 L C 2.593 179.427 176.870 -0.059 0.000 1.085 431 L CA 1.550 56.386 54.840 -0.006 0.000 0.760 431 L CB -1.364 40.565 42.059 -0.217 0.000 0.893 431 L HN 0.346 nan 8.230 nan 0.000 0.434 432 G N -0.714 108.112 108.800 0.042 0.000 2.426 432 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 432 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 432 G C 1.611 176.562 174.900 0.085 0.000 1.156 432 G CA 0.037 45.189 45.100 0.087 0.000 0.802 432 G HN 0.192 nan 8.290 nan 0.000 0.534 433 L N 1.680 122.981 121.223 0.131 0.000 2.093 433 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 433 L C 2.972 179.894 176.870 0.086 0.000 1.085 433 L CA 1.453 56.335 54.840 0.069 0.000 0.755 433 L CB -0.257 41.872 42.059 0.116 0.000 0.904 433 L HN 0.399 nan 8.230 nan 0.000 0.435 434 S N -0.864 114.924 115.700 0.147 0.000 2.607 434 S HA 0.133 4.603 4.470 -0.000 0.000 0.224 434 S C 1.431 176.166 174.600 0.225 0.000 0.969 434 S CA 0.395 58.722 58.200 0.211 0.000 0.927 434 S CB 0.271 63.674 63.200 0.339 0.000 0.772 434 S HN 0.571 nan 8.310 nan 0.000 0.533 435 G N 1.020 109.873 108.800 0.088 0.000 2.176 435 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 435 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 435 G C -0.041 174.787 174.900 -0.121 0.000 0.986 435 G CA 0.051 45.179 45.100 0.048 0.000 0.643 435 G HN 0.621 nan 8.290 nan 0.000 0.522 436 M N 2.088 121.412 119.600 -0.459 0.000 2.307 436 M HA 0.377 4.857 4.480 -0.000 0.000 0.346 436 M C -2.022 174.111 176.300 -0.278 0.000 1.552 436 M CA -1.231 53.677 55.300 -0.653 0.000 1.116 436 M CB 0.565 32.546 32.600 -1.032 0.000 1.889 436 M HN -0.006 nan 8.290 nan 0.000 0.460 437 P HA 0.153 nan 4.420 nan 0.000 0.273 437 P C -1.118 176.061 177.300 -0.202 0.000 1.250 437 P CA -0.059 62.804 63.100 -0.396 0.000 0.793 437 P CB 0.554 31.733 31.700 -0.868 0.000 1.011 438 R N 0.891 121.308 120.500 -0.137 0.000 2.532 438 R HA 0.443 4.783 4.340 -0.000 0.000 0.272 438 R C 0.302 176.668 176.300 0.110 0.000 1.032 438 R CA -0.584 55.495 56.100 -0.036 0.000 1.089 438 R CB 0.366 30.600 30.300 -0.110 0.000 1.098 438 R HN 0.384 nan 8.270 nan 0.000 0.526 439 R N -0.286 120.370 120.500 0.261 0.000 3.656 439 R HA -0.187 4.153 4.340 -0.000 0.000 0.297 439 R C -1.175 175.474 176.300 0.582 0.000 1.166 439 R CA 0.668 57.009 56.100 0.402 0.000 0.799 439 R CB -1.659 28.797 30.300 0.259 0.000 1.285 439 R HN 0.402 nan 8.270 nan 0.000 0.477 440 Y N -0.257 120.204 120.300 0.270 0.000 2.360 440 Y HA 0.251 4.801 4.550 -0.000 0.000 0.337 440 Y C 1.584 177.367 175.900 -0.195 0.000 1.039 440 Y CA -1.374 56.785 58.100 0.098 0.000 1.109 440 Y CB 1.839 40.369 38.460 0.117 0.000 1.201 440 Y HN 0.106 nan 8.280 nan 0.000 0.458 441 S N -0.350 115.163 115.700 -0.312 0.000 2.528 441 S HA 0.112 4.582 4.470 -0.000 0.000 0.219 441 S C 0.012 174.414 174.600 -0.330 0.000 0.985 441 S CA 0.278 58.028 58.200 -0.750 0.000 0.914 441 S CB 0.250 63.136 63.200 -0.524 0.000 0.776 441 S HN 0.650 nan 8.310 nan 0.000 0.526 442 D N -0.386 119.930 120.400 -0.140 0.000 2.609 442 D HA 0.483 5.123 4.640 -0.000 0.000 0.239 442 D C -1.669 174.656 176.300 0.041 0.000 1.229 442 D CA -0.690 53.202 54.000 -0.179 0.000 0.808 442 D CB 1.832 42.488 40.800 -0.240 0.000 1.448 442 D HN 0.248 nan 8.370 nan 0.000 0.433 443 Y N -1.714 118.648 120.300 0.103 0.000 2.588 443 Y HA 0.750 5.300 4.550 -0.000 0.000 0.343 443 Y C -2.652 173.358 175.900 0.183 0.000 1.065 443 Y CA -2.390 55.848 58.100 0.231 0.000 1.038 443 Y CB -0.114 38.502 38.460 0.261 0.000 1.297 443 Y HN 0.044 nan 8.280 nan 0.000 0.467 444 P HA 0.020 nan 4.420 nan 0.000 0.267 444 P C 0.126 177.496 177.300 0.116 0.000 1.201 444 P CA 0.289 63.478 63.100 0.149 0.000 0.775 444 P CB 0.807 32.555 31.700 0.080 0.000 0.854 445 D N 1.353 121.752 120.400 -0.003 0.000 2.190 445 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 445 D C 1.849 178.126 176.300 -0.038 0.000 0.992 445 D CA 1.804 55.802 54.000 -0.003 0.000 0.854 445 D CB -0.579 40.194 40.800 -0.046 0.000 0.936 445 D HN 0.372 nan 8.370 nan 0.000 0.462 446 A N 0.281 122.977 122.820 -0.206 0.000 1.978 446 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 446 A C 1.453 178.883 177.584 -0.255 0.000 1.170 446 A CA 1.035 52.886 52.037 -0.309 0.000 0.636 446 A CB -0.937 17.779 19.000 -0.473 0.000 0.810 446 A HN 0.261 nan 8.150 nan 0.000 0.448 447 Y N 0.734 121.049 120.300 0.025 0.000 2.553 447 Y HA 0.040 4.590 4.550 -0.000 0.000 0.303 447 Y C 2.362 178.121 175.900 -0.235 0.000 1.194 447 Y CA 0.502 58.532 58.100 -0.118 0.000 1.305 447 Y CB -1.372 36.964 38.460 -0.208 0.000 1.045 447 Y HN 0.230 nan 8.280 nan 0.000 0.514 448 T N -0.138 114.466 114.554 0.083 0.000 2.746 448 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 448 T C 2.083 176.749 174.700 -0.056 0.000 1.039 448 T CA 1.554 63.725 62.100 0.119 0.000 1.142 448 T CB -0.197 68.753 68.868 0.138 0.000 0.866 448 T HN 0.436 nan 8.240 nan 0.000 0.444 449 M N -0.297 119.173 119.600 -0.216 0.000 2.065 449 M HA -0.113 4.367 4.480 -0.000 0.000 0.259 449 M C 1.970 178.178 176.300 -0.153 0.000 1.071 449 M CA 1.933 57.040 55.300 -0.321 0.000 1.109 449 M CB -0.280 31.915 32.600 -0.675 0.000 1.313 449 M HN 0.397 nan 8.290 nan 0.000 0.408 450 W N 0.464 121.760 121.300 -0.006 0.000 2.342 450 W HA -0.182 4.478 4.660 -0.000 0.000 0.297 450 W C 2.213 178.681 176.519 -0.085 0.000 1.213 450 W CA 0.255 57.596 57.345 -0.007 0.000 1.251 450 W CB -0.703 28.777 29.460 0.033 0.000 1.136 450 W HN 0.355 nan 8.180 nan 0.000 0.526 451 N N -0.131 118.580 118.700 0.018 0.000 2.244 451 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 451 N C 1.484 176.996 175.510 0.003 0.000 1.016 451 N CA 1.872 54.852 53.050 -0.117 0.000 0.866 451 N CB -0.376 37.856 38.487 -0.424 0.000 0.980 451 N HN 0.133 nan 8.380 nan 0.000 0.430 452 T N 1.771 116.347 114.554 0.036 0.000 2.732 452 T HA 0.041 4.391 4.350 -0.000 0.000 0.261 452 T C 2.157 176.895 174.700 0.063 0.000 1.040 452 T CA 0.531 62.661 62.100 0.050 0.000 1.145 452 T CB -0.078 68.806 68.868 0.028 0.000 0.866 452 T HN 0.141 nan 8.240 nan 0.000 0.427 453 I N 1.082 121.714 120.570 0.104 0.000 2.163 453 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 453 I C 2.827 178.995 176.117 0.085 0.000 1.085 453 I CA 1.085 62.462 61.300 0.127 0.000 1.347 453 I CB -0.477 37.672 38.000 0.247 0.000 1.044 453 I HN 0.246 nan 8.210 nan 0.000 0.408 454 S N 0.291 116.036 115.700 0.074 0.000 2.359 454 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 454 S C 2.225 176.809 174.600 -0.027 0.000 1.039 454 S CA 2.285 60.476 58.200 -0.015 0.000 1.042 454 S CB -0.242 62.934 63.200 -0.040 0.000 0.915 454 S HN 0.421 nan 8.310 nan 0.000 0.439 455 S N 1.053 116.771 115.700 0.029 0.000 2.419 455 S HA -0.018 4.452 4.470 -0.000 0.000 0.233 455 S C 1.835 176.543 174.600 0.179 0.000 1.016 455 S CA 1.457 59.715 58.200 0.097 0.000 0.974 455 S CB -0.362 62.917 63.200 0.132 0.000 0.786 455 S HN 0.531 nan 8.310 nan 0.000 0.492 456 M N 0.693 120.356 119.600 0.106 0.000 2.175 456 M HA -0.021 4.459 4.480 -0.000 0.000 0.264 456 M C 2.543 178.919 176.300 0.125 0.000 1.063 456 M CA 1.395 56.758 55.300 0.105 0.000 1.119 456 M CB -0.890 31.732 32.600 0.037 0.000 1.377 456 M HN 0.441 nan 8.290 nan 0.000 0.415 457 G N 0.411 109.238 108.800 0.044 0.000 2.442 457 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 457 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 457 G C 1.639 176.524 174.900 -0.024 0.000 1.141 457 G CA 1.313 46.404 45.100 -0.015 0.000 0.763 457 G HN 0.564 nan 8.290 nan 0.000 0.554 458 S N -0.042 115.637 115.700 -0.035 0.000 2.419 458 S HA -0.020 4.450 4.470 -0.000 0.000 0.233 458 S C 2.039 176.593 174.600 -0.077 0.000 1.016 458 S CA 0.968 59.115 58.200 -0.087 0.000 0.974 458 S CB -0.483 62.644 63.200 -0.122 0.000 0.786 458 S HN 0.210 nan 8.310 nan 0.000 0.492 459 F N 1.461 121.393 119.950 -0.030 0.000 2.293 459 F HA 0.303 4.830 4.527 -0.000 0.000 0.297 459 F C 2.110 177.911 175.800 0.002 0.000 1.089 459 F CA 0.458 58.453 58.000 -0.007 0.000 1.377 459 F CB -0.309 38.689 39.000 -0.004 0.000 1.051 459 F HN 0.189 nan 8.300 nan 0.000 0.511 460 I N -1.139 119.520 120.570 0.148 0.000 2.252 460 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 460 I C 2.370 178.523 176.117 0.060 0.000 1.102 460 I CA 1.169 62.523 61.300 0.090 0.000 1.385 460 I CB -0.598 37.436 38.000 0.057 0.000 1.064 460 I HN -0.024 nan 8.210 nan 0.000 0.414 461 S N 0.905 116.624 115.700 0.031 0.000 2.383 461 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 461 S C 1.922 176.547 174.600 0.040 0.000 1.030 461 S CA 1.282 59.506 58.200 0.040 0.000 1.002 461 S CB -0.428 62.788 63.200 0.026 0.000 0.829 461 S HN 0.318 nan 8.310 nan 0.000 0.467 462 L N 1.973 123.188 121.223 -0.015 0.000 2.012 462 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 462 L C 2.220 179.108 176.870 0.030 0.000 1.073 462 L CA 1.996 56.814 54.840 -0.037 0.000 0.748 462 L CB -1.502 40.468 42.059 -0.149 0.000 0.891 462 L HN 0.205 nan 8.230 nan 0.000 0.431 463 T N 0.018 114.607 114.554 0.059 0.000 2.720 463 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 463 T C 1.895 176.664 174.700 0.115 0.000 1.037 463 T CA 1.487 63.636 62.100 0.081 0.000 1.144 463 T CB -0.614 68.309 68.868 0.091 0.000 0.864 463 T HN 0.559 nan 8.240 nan 0.000 0.444 464 A N 1.185 124.087 122.820 0.137 0.000 1.930 464 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 464 A C 2.592 180.367 177.584 0.319 0.000 1.175 464 A CA 1.587 53.762 52.037 0.229 0.000 0.627 464 A CB -0.866 18.216 19.000 0.135 0.000 0.815 464 A HN 0.500 nan 8.150 nan 0.000 0.443 465 V N -2.293 117.746 119.914 0.207 0.000 3.217 465 V HA -0.079 4.041 4.120 -0.000 0.000 0.264 465 V C 1.926 178.084 176.094 0.106 0.000 1.135 465 V CA 1.841 64.247 62.300 0.177 0.000 1.142 465 V CB -0.604 31.287 31.823 0.113 0.000 0.754 465 V HN 0.511 nan 8.190 nan 0.000 0.484 466 M N -0.578 119.077 119.600 0.092 0.000 2.216 466 M HA 0.065 4.545 4.480 -0.000 0.000 0.264 466 M C 2.233 178.574 176.300 0.068 0.000 1.080 466 M CA 1.690 57.022 55.300 0.052 0.000 1.153 466 M CB -0.342 32.272 32.600 0.025 0.000 1.356 466 M HN 0.326 nan 8.290 nan 0.000 0.432 467 L N 0.432 121.713 121.223 0.098 0.000 2.042 467 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 467 L C 2.696 179.639 176.870 0.122 0.000 1.076 467 L CA 1.409 56.313 54.840 0.107 0.000 0.749 467 L CB -0.346 41.825 42.059 0.186 0.000 0.893 467 L HN 0.423 nan 8.230 nan 0.000 0.432 468 M N -0.897 118.731 119.600 0.047 0.000 2.080 468 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 468 M C 2.136 178.418 176.300 -0.030 0.000 1.068 468 M CA 1.836 57.048 55.300 -0.146 0.000 1.109 468 M CB -0.083 32.364 32.600 -0.254 0.000 1.342 468 M HN 0.081 nan 8.290 nan 0.000 0.405 469 V N 0.804 120.741 119.914 0.037 0.000 2.324 469 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 469 V C 2.202 178.382 176.094 0.144 0.000 1.060 469 V CA 2.396 64.742 62.300 0.077 0.000 1.042 469 V CB -1.130 30.736 31.823 0.072 0.000 0.650 469 V HN 0.645 nan 8.190 nan 0.000 0.450 470 F N 0.594 120.528 119.950 -0.027 0.000 2.102 470 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 470 F C 2.190 178.004 175.800 0.023 0.000 1.105 470 F CA 1.707 59.701 58.000 -0.010 0.000 1.239 470 F CB -0.375 38.535 39.000 -0.150 0.000 0.991 470 F HN 0.049 nan 8.300 nan 0.000 0.474 471 I N 0.418 120.869 120.570 -0.198 0.000 2.248 471 I HA -0.355 3.815 4.170 -0.000 0.000 0.248 471 I C 2.442 178.389 176.117 -0.284 0.000 1.107 471 I CA 1.746 62.830 61.300 -0.359 0.000 1.373 471 I CB -0.595 37.316 38.000 -0.150 0.000 1.055 471 I HN 0.267 nan 8.210 nan 0.000 0.418 472 I N -0.666 119.826 120.570 -0.129 0.000 2.233 472 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 472 I C 2.470 178.628 176.117 0.069 0.000 1.093 472 I CA 1.356 62.613 61.300 -0.072 0.000 1.380 472 I CB -0.400 37.661 38.000 0.102 0.000 1.067 472 I HN 0.378 nan 8.210 nan 0.000 0.413 473 W N 2.671 123.931 121.300 -0.067 0.000 2.315 473 W HA -0.342 4.318 4.660 -0.000 0.000 0.323 473 W C 2.572 179.019 176.519 -0.120 0.000 1.233 473 W CA 2.401 59.737 57.345 -0.016 0.000 1.267 473 W CB -0.376 29.055 29.460 -0.048 0.000 1.160 473 W HN 0.267 nan 8.180 nan 0.000 0.474 474 E N 1.003 120.948 120.200 -0.426 0.000 2.070 474 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 474 E C 2.078 178.368 176.600 -0.518 0.000 1.004 474 E CA 2.699 58.663 56.400 -0.725 0.000 0.805 474 E CB -1.169 28.113 29.700 -0.696 0.000 0.744 474 E HN 0.230 nan 8.360 nan 0.000 0.451 475 A N -0.073 122.530 122.820 -0.361 0.000 1.892 475 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 475 A C 2.117 179.493 177.584 -0.347 0.000 1.188 475 A CA 1.750 53.622 52.037 -0.275 0.000 0.631 475 A CB -1.055 17.808 19.000 -0.229 0.000 0.822 475 A HN 0.412 nan 8.150 nan 0.000 0.447 476 F N -0.335 119.481 119.950 -0.223 0.000 2.407 476 F HA 0.102 4.629 4.527 -0.000 0.000 0.299 476 F C 2.625 178.128 175.800 -0.495 0.000 1.097 476 F CA 0.372 58.187 58.000 -0.308 0.000 1.422 476 F CB -0.423 38.522 39.000 -0.092 0.000 1.067 476 F HN 0.271 nan 8.300 nan 0.000 0.539 477 A N -1.149 121.367 122.820 -0.506 0.000 1.898 477 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 477 A C 2.383 179.720 177.584 -0.412 0.000 1.183 477 A CA 1.659 53.332 52.037 -0.608 0.000 0.622 477 A CB -0.842 17.423 19.000 -1.224 0.000 0.824 477 A HN 0.243 nan 8.150 nan 0.000 0.444 478 S N -0.562 114.906 115.700 -0.387 0.000 2.357 478 S HA 0.004 4.474 4.470 -0.000 0.000 0.221 478 S C 0.337 174.796 174.600 -0.234 0.000 1.031 478 S CA 0.934 58.984 58.200 -0.250 0.000 0.982 478 S CB -0.185 62.904 63.200 -0.185 0.000 0.853 478 S HN 0.572 nan 8.310 nan 0.000 0.458 479 K N 0.966 121.151 120.400 -0.359 0.000 3.335 479 K HA -0.133 4.187 4.320 -0.000 0.000 0.271 479 K C -1.147 175.423 176.600 -0.051 0.000 1.105 479 K CA 0.245 56.281 56.287 -0.419 0.000 0.799 479 K CB -1.353 30.939 32.500 -0.346 0.000 1.309 479 K HN 0.389 nan 8.250 nan 0.000 0.469 480 R N 1.891 122.403 120.500 0.020 0.000 2.205 480 R HA 0.148 4.488 4.340 -0.000 0.000 0.342 480 R C 0.098 176.504 176.300 0.178 0.000 1.058 480 R CA -0.403 55.745 56.100 0.079 0.000 0.904 480 R CB 0.639 30.966 30.300 0.044 0.000 1.089 480 R HN 0.232 nan 8.270 nan 0.000 0.471 481 E N 2.233 122.534 120.200 0.167 0.000 2.354 481 E HA 0.094 4.444 4.350 -0.000 0.000 0.269 481 E C -0.022 176.610 176.600 0.054 0.000 1.036 481 E CA -0.518 55.960 56.400 0.130 0.000 0.876 481 E CB 1.418 31.177 29.700 0.099 0.000 1.009 481 E HN 0.184 nan 8.360 nan 0.000 0.416 482 V N 4.143 124.065 119.914 0.013 0.000 2.655 482 V HA -0.062 4.058 4.120 -0.000 0.000 0.300 482 V C 1.167 177.264 176.094 0.005 0.000 1.044 482 V CA 0.624 62.925 62.300 0.003 0.000 1.095 482 V CB 0.464 32.283 31.823 -0.007 0.000 0.952 482 V HN 0.678 nan 8.190 nan 0.000 0.485 483 L N 2.557 123.780 121.223 0.000 0.000 2.670 483 L HA 0.256 4.596 4.340 -0.000 0.000 0.177 483 L C 0.780 177.646 176.870 -0.008 0.000 1.181 483 L CA 0.566 55.406 54.840 0.000 0.000 0.856 483 L CB 0.298 42.356 42.059 -0.000 0.000 1.205 483 L HN 0.604 nan 8.230 nan 0.000 0.506 484 T N 0.694 115.233 114.554 -0.026 0.000 2.856 484 T HA 0.591 4.941 4.350 -0.000 0.000 0.283 484 T C -0.703 173.941 174.700 -0.092 0.000 1.008 484 T CA -0.289 61.785 62.100 -0.044 0.000 0.997 484 T CB 2.703 71.546 68.868 -0.040 0.000 0.992 484 T HN -0.208 nan 8.240 nan 0.000 0.454 485 V N 2.768 122.611 119.914 -0.119 0.000 2.656 485 V HA 0.428 4.548 4.120 -0.000 0.000 0.307 485 V C -0.631 175.345 176.094 -0.196 0.000 1.051 485 V CA -1.088 61.068 62.300 -0.241 0.000 0.893 485 V CB 2.193 33.801 31.823 -0.357 0.000 0.999 485 V HN 0.823 nan 8.190 nan 0.000 0.426 486 D N 2.449 122.720 120.400 -0.215 0.000 2.354 486 D HA 0.585 5.225 4.640 -0.000 0.000 0.247 486 D C 0.798 176.970 176.300 -0.213 0.000 1.138 486 D CA -0.324 53.545 54.000 -0.218 0.000 0.958 486 D CB 0.647 41.259 40.800 -0.313 0.000 1.144 486 D HN 0.509 nan 8.370 nan 0.000 0.458 487 L N -0.185 120.919 121.223 -0.199 0.000 3.858 487 L HA -0.298 4.042 4.340 -0.000 0.000 0.425 487 L C 1.602 178.488 176.870 0.026 0.000 1.177 487 L CA 0.720 55.482 54.840 -0.130 0.000 0.943 487 L CB -2.294 39.589 42.059 -0.294 0.000 1.861 487 L HN 0.640 nan 8.230 nan 0.000 0.985 488 T N -5.492 109.086 114.554 0.040 0.000 2.962 488 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 488 T C 1.757 176.547 174.700 0.150 0.000 1.088 488 T CA 1.352 63.538 62.100 0.142 0.000 1.127 488 T CB -0.428 68.524 68.868 0.139 0.000 0.883 488 T HN 0.608 nan 8.240 nan 0.000 0.493 489 T N 1.262 115.870 114.554 0.090 0.000 2.759 489 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 489 T C 1.948 176.711 174.700 0.105 0.000 1.042 489 T CA 1.791 63.942 62.100 0.085 0.000 1.140 489 T CB -1.173 67.723 68.868 0.047 0.000 0.864 489 T HN 0.670 nan 8.240 nan 0.000 0.455 490 T N -1.686 112.936 114.554 0.113 0.000 3.092 490 T HA 0.348 4.698 4.350 -0.000 0.000 0.258 490 T C 0.174 174.999 174.700 0.207 0.000 1.031 490 T CA -0.672 61.504 62.100 0.127 0.000 0.925 490 T CB -0.259 68.658 68.868 0.081 0.000 1.036 490 T HN 0.304 nan 8.240 nan 0.000 0.544 491 N N 0.946 119.817 118.700 0.285 0.000 2.752 491 N HA 0.420 5.160 4.740 -0.000 0.000 0.260 491 N C 0.796 176.581 175.510 0.458 0.000 1.562 491 N CA -0.312 53.000 53.050 0.436 0.000 0.788 491 N CB 0.959 39.816 38.487 0.616 0.000 1.192 491 N HN 0.020 nan 8.380 nan 0.000 0.503 492 L N 0.983 122.408 121.223 0.336 0.000 2.103 492 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 492 L C 2.479 179.540 176.870 0.318 0.000 1.080 492 L CA 1.698 56.724 54.840 0.310 0.000 0.764 492 L CB -0.034 42.176 42.059 0.251 0.000 0.890 492 L HN 0.638 nan 8.230 nan 0.000 0.435 493 E N -0.461 119.891 120.200 0.253 0.000 2.187 493 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 493 E C 1.702 178.305 176.600 0.005 0.000 1.004 493 E CA 2.057 58.503 56.400 0.076 0.000 0.813 493 E CB -0.854 28.783 29.700 -0.105 0.000 0.736 493 E HN 0.671 nan 8.360 nan 0.000 0.468 494 W N 0.930 122.341 121.300 0.185 0.000 3.003 494 W HA 0.303 4.963 4.660 -0.000 0.000 0.257 494 W C 2.252 178.829 176.519 0.097 0.000 1.308 494 W CA -0.348 57.066 57.345 0.115 0.000 1.529 494 W CB -0.227 29.286 29.460 0.088 0.000 1.115 494 W HN -0.053 nan 8.180 nan 0.000 0.659 495 L N 1.095 122.512 121.223 0.323 0.000 2.349 495 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 495 L C 1.227 178.175 176.870 0.131 0.000 1.130 495 L CA 1.074 56.044 54.840 0.216 0.000 0.791 495 L CB -0.382 41.806 42.059 0.216 0.000 0.918 495 L HN 0.152 nan 8.230 nan 0.000 0.444 496 N N -0.073 118.688 118.700 0.102 0.000 2.251 496 N HA 0.137 4.877 4.740 -0.000 0.000 0.217 496 N C 0.658 176.201 175.510 0.056 0.000 1.124 496 N CA 0.693 53.758 53.050 0.026 0.000 0.843 496 N CB 0.931 39.377 38.487 -0.069 0.000 1.024 496 N HN 0.324 nan 8.380 nan 0.000 0.501 497 G N 0.793 109.656 108.800 0.106 0.000 2.814 497 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.677 497 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.677 497 G C -0.569 174.386 174.900 0.092 0.000 1.429 497 G CA -0.797 44.362 45.100 0.099 0.000 0.868 497 G HN 0.307 nan 8.290 nan 0.000 0.553 498 C N 2.926 122.267 119.300 0.068 0.000 2.271 498 C HA 0.730 5.190 4.460 -0.000 0.000 0.323 498 C C -1.258 173.705 174.990 -0.045 0.000 1.245 498 C CA -0.955 58.072 59.018 0.015 0.000 1.548 498 C CB 0.933 28.685 27.740 0.021 0.000 2.214 498 C HN 0.808 nan 8.230 nan 0.000 0.477 499 P HA 0.410 nan 4.420 nan 0.000 0.287 499 P C -2.661 174.690 177.300 0.085 0.000 1.270 499 P CA -1.586 61.536 63.100 0.038 0.000 0.844 499 P CB 0.780 32.529 31.700 0.080 0.000 1.068 500 P HA 0.130 nan 4.420 nan 0.000 0.269 500 P C -2.236 175.102 177.300 0.063 0.000 1.209 500 P CA -1.063 62.093 63.100 0.093 0.000 0.776 500 P CB -0.877 30.904 31.700 0.135 0.000 0.876 501 P HA -0.063 nan 4.420 nan 0.000 0.270 501 P C 0.783 178.085 177.300 0.004 0.000 1.223 501 P CA -0.060 63.058 63.100 0.030 0.000 0.785 501 P CB 0.489 32.206 31.700 0.028 0.000 0.923 502 Y N 1.706 121.920 120.300 -0.143 0.000 2.062 502 Y HA -0.243 4.307 4.550 -0.000 0.000 0.276 502 Y C 0.989 176.675 175.900 -0.357 0.000 1.189 502 Y CA 1.916 59.836 58.100 -0.300 0.000 1.130 502 Y CB -0.688 37.574 38.460 -0.331 0.000 0.959 502 Y HN 0.439 nan 8.280 nan 0.000 0.499 503 H N -0.277 118.823 119.070 0.050 0.000 2.595 503 H HA 0.345 4.901 4.556 -0.000 0.000 0.313 503 H C -0.098 175.204 175.328 -0.043 0.000 1.023 503 H CA -0.239 55.801 56.048 -0.013 0.000 1.218 503 H CB 0.766 30.557 29.762 0.049 0.000 1.403 503 H HN 0.062 nan 8.280 nan 0.000 0.477 504 T N -0.356 114.233 114.554 0.059 0.000 2.952 504 T HA 0.269 4.619 4.350 -0.000 0.000 0.286 504 T C 0.074 174.739 174.700 -0.058 0.000 1.024 504 T CA -0.910 61.105 62.100 -0.142 0.000 1.029 504 T CB 0.788 69.519 68.868 -0.229 0.000 1.094 504 T HN 0.517 nan 8.240 nan 0.000 0.515 505 F N -1.022 118.968 119.950 0.067 0.000 3.048 505 F HA -0.198 4.329 4.527 -0.000 0.000 0.269 505 F C 1.370 177.184 175.800 0.025 0.000 0.960 505 F CA 0.641 58.665 58.000 0.041 0.000 0.909 505 F CB -2.404 36.611 39.000 0.024 0.000 0.837 505 F HN 0.865 nan 8.300 nan 0.000 0.768 506 E N 0.631 120.886 120.200 0.091 0.000 2.077 506 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 506 E C 1.144 177.775 176.600 0.052 0.000 0.989 506 E CA 1.436 57.859 56.400 0.040 0.000 0.800 506 E CB 0.144 29.844 29.700 0.001 0.000 0.746 506 E HN 0.632 nan 8.360 nan 0.000 0.452 507 E N 0.469 120.712 120.200 0.071 0.000 2.133 507 E HA 0.206 4.556 4.350 -0.000 0.000 0.274 507 E C -2.274 174.411 176.600 0.141 0.000 0.930 507 E CA -2.434 54.013 56.400 0.078 0.000 0.770 507 E CB 1.386 31.123 29.700 0.062 0.000 1.104 507 E HN -0.131 nan 8.360 nan 0.000 0.403 508 P HA -0.129 nan 4.420 nan 0.000 0.283 508 P C -0.583 176.837 177.300 0.201 0.000 1.388 508 P CA 0.260 63.446 63.100 0.144 0.000 0.977 508 P CB 0.263 32.007 31.700 0.072 0.000 1.287 509 T N -2.390 112.243 114.554 0.133 0.000 2.876 509 T HA 0.435 4.785 4.350 -0.000 0.000 0.289 509 T C -1.626 173.152 174.700 0.131 0.000 1.014 509 T CA -0.675 61.517 62.100 0.154 0.000 0.986 509 T CB 0.357 69.263 68.868 0.062 0.000 1.021 509 T HN 0.208 nan 8.240 nan 0.000 0.458 510 Y N 4.442 124.770 120.300 0.046 0.000 2.383 510 Y HA 0.611 5.161 4.550 -0.000 0.000 0.344 510 Y C -1.094 174.818 175.900 0.020 0.000 0.986 510 Y CA -0.397 57.720 58.100 0.028 0.000 1.175 510 Y CB 0.700 39.179 38.460 0.032 0.000 1.152 510 Y HN 0.559 nan 8.280 nan 0.000 0.511 511 V N 6.806 126.468 119.914 -0.420 0.000 2.482 511 V HA 0.228 4.348 4.120 -0.000 0.000 0.295 511 V C -0.467 175.371 176.094 -0.428 0.000 1.026 511 V CA -1.280 60.845 62.300 -0.291 0.000 0.856 511 V CB 1.574 33.314 31.823 -0.138 0.000 1.001 511 V HN 0.832 nan 8.190 nan 0.000 0.424 512 N N 2.480 120.992 118.700 -0.314 0.000 2.479 512 N HA 0.294 5.034 4.740 -0.000 0.000 0.257 512 N C -0.698 174.739 175.510 -0.123 0.000 1.232 512 N CA -0.506 52.417 53.050 -0.212 0.000 0.920 512 N CB 0.785 39.254 38.487 -0.030 0.000 1.105 512 N HN 0.446 nan 8.380 nan 0.000 0.444 513 L N 3.715 124.882 121.223 -0.094 0.000 2.321 513 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 513 L C -0.098 176.757 176.870 -0.025 0.000 1.050 513 L CA -0.384 54.422 54.840 -0.056 0.000 0.893 513 L CB -0.200 41.826 42.059 -0.055 0.000 1.272 513 L HN 0.399 nan 8.230 nan 0.000 0.435 514 K N 0.000 120.391 120.400 -0.015 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 514 K CB 0.000 32.501 32.500 0.002 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543