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 1ocr_1_A 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 0.000 176.329 176.300 0.049 0.000 1.140 1 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 2 F N 2.712 122.674 119.950 0.021 0.000 2.115 2 F HA -0.227 4.300 4.527 -0.000 0.000 0.300 2 F C 1.489 177.316 175.800 0.045 0.000 1.092 2 F CA 2.165 60.249 58.000 0.140 0.000 1.245 2 F CB 0.168 39.230 39.000 0.103 0.000 0.995 2 F HN 0.656 nan 8.300 nan 0.000 0.481 3 I N 0.327 120.902 120.570 0.009 0.000 2.072 3 I HA -0.333 3.837 4.170 -0.000 0.000 0.235 3 I C 2.027 177.819 176.117 -0.540 0.000 1.058 3 I CA 1.816 62.921 61.300 -0.324 0.000 1.320 3 I CB -1.823 35.908 38.000 -0.448 0.000 1.047 3 I HN 0.122 nan 8.210 nan 0.000 0.397 4 N N 0.275 118.719 118.700 -0.426 0.000 2.184 4 N HA -0.236 4.504 4.740 -0.000 0.000 0.190 4 N C 1.979 177.355 175.510 -0.223 0.000 1.011 4 N CA 1.459 54.359 53.050 -0.250 0.000 0.867 4 N CB -0.189 38.230 38.487 -0.114 0.000 0.993 4 N HN 0.319 nan 8.380 nan 0.000 0.433 5 R N -0.904 119.384 120.500 -0.353 0.000 2.075 5 R HA 0.017 4.357 4.340 -0.000 0.000 0.220 5 R C 1.084 176.938 176.300 -0.744 0.000 1.118 5 R CA 0.966 56.710 56.100 -0.594 0.000 0.986 5 R CB -0.054 29.750 30.300 -0.827 0.000 0.884 5 R HN 0.290 nan 8.270 nan 0.000 0.439 6 W N -0.240 120.856 121.300 -0.340 0.000 2.872 6 W HA 0.239 4.899 4.660 -0.000 0.000 0.266 6 W C 1.431 177.930 176.519 -0.034 0.000 1.276 6 W CA -0.193 56.956 57.345 -0.327 0.000 1.471 6 W CB 0.437 29.429 29.460 -0.780 0.000 1.071 6 W HN 0.029 nan 8.180 nan 0.000 0.619 7 L N -1.533 119.736 121.223 0.077 0.000 2.575 7 L HA 0.181 4.521 4.340 -0.000 0.000 0.228 7 L C 0.694 177.816 176.870 0.421 0.000 1.075 7 L CA 0.296 55.243 54.840 0.177 0.000 0.867 7 L CB -0.123 41.858 42.059 -0.130 0.000 1.097 7 L HN -0.126 nan 8.230 nan 0.000 0.485 8 F N -0.062 119.893 119.950 0.009 0.000 2.708 8 F HA 0.291 4.818 4.527 -0.000 0.000 0.300 8 F C 1.343 177.139 175.800 -0.006 0.000 1.118 8 F CA -1.161 56.835 58.000 -0.007 0.000 1.307 8 F CB -0.651 38.327 39.000 -0.037 0.000 0.986 8 F HN -0.188 nan 8.300 nan 0.000 0.522 9 S N 1.034 116.832 115.700 0.164 0.000 2.559 9 S HA 0.201 4.671 4.470 -0.000 0.000 0.282 9 S C 1.079 175.701 174.600 0.036 0.000 1.336 9 S CA 0.955 59.168 58.200 0.021 0.000 1.037 9 S CB 0.388 63.536 63.200 -0.086 0.000 0.853 9 S HN 0.503 nan 8.310 nan 0.000 0.523 10 T N 0.548 115.086 114.554 -0.025 0.000 3.641 10 T HA 0.285 4.635 4.350 -0.000 0.000 0.313 10 T C -0.429 174.208 174.700 -0.104 0.000 0.952 10 T CA -0.676 61.411 62.100 -0.021 0.000 1.004 10 T CB -0.630 68.250 68.868 0.021 0.000 1.209 10 T HN 0.547 nan 8.240 nan 0.000 0.493 11 N N 1.471 120.034 118.700 -0.229 0.000 2.417 11 N HA 0.170 4.910 4.740 -0.000 0.000 0.274 11 N C 1.060 176.314 175.510 -0.426 0.000 0.987 11 N CA -0.265 52.519 53.050 -0.443 0.000 0.912 11 N CB 1.459 39.431 38.487 -0.858 0.000 1.177 11 N HN 0.564 nan 8.380 nan 0.000 0.490 12 H N 3.304 122.145 119.070 -0.381 0.000 2.457 12 H HA -0.037 4.519 4.556 -0.000 0.000 0.297 12 H C 0.971 175.981 175.328 -0.530 0.000 1.092 12 H CA 1.447 57.281 56.048 -0.356 0.000 1.309 12 H CB 0.338 29.930 29.762 -0.283 0.000 1.382 12 H HN 0.496 nan 8.280 nan 0.000 0.535 13 K N 0.247 119.816 120.400 -1.386 0.000 2.021 13 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 13 K C 1.688 177.656 176.600 -1.054 0.000 1.047 13 K CA 1.212 56.504 56.287 -1.659 0.000 0.943 13 K CB 0.069 31.544 32.500 -1.708 0.000 0.725 13 K HN 0.257 nan 8.250 nan 0.000 0.439 14 D N 1.197 121.174 120.400 -0.705 0.000 2.149 14 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 14 D C 1.873 178.051 176.300 -0.205 0.000 0.990 14 D CA 1.038 54.825 54.000 -0.356 0.000 0.839 14 D CB -0.194 40.230 40.800 -0.626 0.000 0.948 14 D HN 0.160 nan 8.370 nan 0.000 0.460 15 I N 0.733 121.131 120.570 -0.286 0.000 2.252 15 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 15 I C 2.569 178.633 176.117 -0.088 0.000 1.102 15 I CA 1.274 62.453 61.300 -0.202 0.000 1.385 15 I CB -0.476 37.474 38.000 -0.084 0.000 1.064 15 I HN 0.014 nan 8.210 nan 0.000 0.414 16 G N 0.158 108.877 108.800 -0.136 0.000 2.442 16 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 16 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 16 G C 1.667 176.622 174.900 0.091 0.000 1.141 16 G CA 1.562 46.661 45.100 -0.001 0.000 0.763 16 G HN 0.295 nan 8.290 nan 0.000 0.554 17 T N 1.074 115.649 114.554 0.036 0.000 2.777 17 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 17 T C 2.289 176.991 174.700 0.003 0.000 1.040 17 T CA 0.777 62.965 62.100 0.147 0.000 1.141 17 T CB -0.184 68.831 68.868 0.245 0.000 0.868 17 T HN 0.036 nan 8.240 nan 0.000 0.444 18 L N 0.227 121.346 121.223 -0.173 0.000 2.012 18 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 18 L C 2.095 178.748 176.870 -0.363 0.000 1.073 18 L CA 1.661 56.186 54.840 -0.525 0.000 0.748 18 L CB -1.257 40.090 42.059 -1.187 0.000 0.891 18 L HN 0.321 nan 8.230 nan 0.000 0.431 19 Y N -0.777 119.378 120.300 -0.242 0.000 2.145 19 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 19 Y C 2.480 178.488 175.900 0.179 0.000 1.145 19 Y CA 1.387 59.555 58.100 0.113 0.000 1.148 19 Y CB -0.442 38.088 38.460 0.116 0.000 0.981 19 Y HN 0.089 nan 8.280 nan 0.000 0.507 20 L N -0.921 120.444 121.223 0.237 0.000 2.131 20 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 20 L C 2.218 179.213 176.870 0.208 0.000 1.092 20 L CA 1.058 56.001 54.840 0.171 0.000 0.759 20 L CB -0.600 41.506 42.059 0.079 0.000 0.903 20 L HN 0.287 nan 8.230 nan 0.000 0.435 21 L N -1.455 119.883 121.223 0.191 0.000 2.027 21 L HA -0.226 4.114 4.340 -0.000 0.000 0.206 21 L C 2.530 179.573 176.870 0.287 0.000 1.074 21 L CA 1.272 56.226 54.840 0.189 0.000 0.745 21 L CB -0.489 41.626 42.059 0.094 0.000 0.898 21 L HN 0.159 nan 8.230 nan 0.000 0.433 22 F N 0.868 120.945 119.950 0.211 0.000 2.069 22 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 22 F C 2.256 178.271 175.800 0.359 0.000 1.113 22 F CA 1.803 59.986 58.000 0.304 0.000 1.214 22 F CB -0.710 38.506 39.000 0.360 0.000 0.978 22 F HN 0.004 nan 8.300 nan 0.000 0.474 23 G N -0.390 108.711 108.800 0.502 0.000 2.450 23 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 23 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 23 G C 1.757 176.760 174.900 0.171 0.000 1.130 23 G CA 0.871 46.165 45.100 0.323 0.000 0.760 23 G HN 0.660 nan 8.290 nan 0.000 0.557 24 A N -0.124 122.799 122.820 0.172 0.000 1.873 24 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 24 A C 2.140 179.800 177.584 0.127 0.000 1.186 24 A CA 1.534 53.636 52.037 0.108 0.000 0.616 24 A CB -0.729 18.337 19.000 0.109 0.000 0.823 24 A HN 0.515 nan 8.150 nan 0.000 0.442 25 W N 0.536 121.825 121.300 -0.018 0.000 2.354 25 W HA -0.138 4.522 4.660 -0.000 0.000 0.315 25 W C 2.582 179.082 176.519 -0.031 0.000 1.206 25 W CA 2.418 59.742 57.345 -0.036 0.000 1.290 25 W CB -0.314 29.111 29.460 -0.058 0.000 1.152 25 W HN 0.358 nan 8.180 nan 0.000 0.489 26 A N 0.418 123.324 122.820 0.142 0.000 1.948 26 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 26 A C 2.184 179.759 177.584 -0.015 0.000 1.177 26 A CA 2.104 54.186 52.037 0.075 0.000 0.636 26 A CB -1.715 17.231 19.000 -0.089 0.000 0.815 26 A HN 0.442 nan 8.150 nan 0.000 0.449 27 G N -1.299 107.495 108.800 -0.011 0.000 2.448 27 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.219 27 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.219 27 G C 1.434 176.299 174.900 -0.059 0.000 1.127 27 G CA 1.178 46.270 45.100 -0.012 0.000 0.766 27 G HN 0.376 nan 8.290 nan 0.000 0.552 28 M N 0.343 119.850 119.600 -0.154 0.000 2.156 28 M HA 0.050 4.530 4.480 -0.000 0.000 0.264 28 M C 2.767 178.939 176.300 -0.213 0.000 1.067 28 M CA 0.655 55.833 55.300 -0.203 0.000 1.131 28 M CB -1.063 31.343 32.600 -0.323 0.000 1.368 28 M HN 0.097 nan 8.290 nan 0.000 0.416 29 V N 0.586 120.324 119.914 -0.294 0.000 2.287 29 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 29 V C 2.644 178.725 176.094 -0.022 0.000 1.053 29 V CA 2.172 64.358 62.300 -0.190 0.000 1.027 29 V CB -1.715 30.033 31.823 -0.124 0.000 0.646 29 V HN 0.574 nan 8.190 nan 0.000 0.447 30 G N -0.866 107.950 108.800 0.027 0.000 2.408 30 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 30 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 30 G C 1.681 176.665 174.900 0.141 0.000 1.150 30 G CA 1.425 46.589 45.100 0.108 0.000 0.776 30 G HN 0.479 nan 8.290 nan 0.000 0.542 31 T N 1.510 116.097 114.554 0.055 0.000 2.812 31 T HA 0.099 4.449 4.350 -0.000 0.000 0.264 31 T C 2.843 177.540 174.700 -0.004 0.000 1.042 31 T CA 1.282 63.407 62.100 0.042 0.000 1.140 31 T CB -0.307 68.562 68.868 0.001 0.000 0.870 31 T HN 0.353 nan 8.240 nan 0.000 0.445 32 A N 1.548 124.347 122.820 -0.036 0.000 1.865 32 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 32 A C 2.295 179.860 177.584 -0.031 0.000 1.191 32 A CA 1.363 53.365 52.037 -0.058 0.000 0.623 32 A CB -1.012 17.945 19.000 -0.072 0.000 0.826 32 A HN 0.466 nan 8.150 nan 0.000 0.444 33 L N 0.506 121.738 121.223 0.014 0.000 2.079 33 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 33 L C 3.016 179.857 176.870 -0.049 0.000 1.081 33 L CA 1.729 56.584 54.840 0.026 0.000 0.752 33 L CB -0.503 41.624 42.059 0.113 0.000 0.896 33 L HN 0.650 nan 8.230 nan 0.000 0.433 34 S N -0.389 115.285 115.700 -0.044 0.000 2.423 34 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 34 S C 1.883 176.406 174.600 -0.129 0.000 1.014 34 S CA 0.735 58.807 58.200 -0.213 0.000 0.965 34 S CB -0.486 62.680 63.200 -0.056 0.000 0.785 34 S HN 0.380 nan 8.310 nan 0.000 0.495 35 L N 0.403 121.568 121.223 -0.097 0.000 2.131 35 L HA 0.139 4.479 4.340 -0.000 0.000 0.206 35 L C 2.533 179.385 176.870 -0.031 0.000 1.087 35 L CA 0.699 55.469 54.840 -0.115 0.000 0.767 35 L CB -0.481 41.438 42.059 -0.234 0.000 0.917 35 L HN 0.289 nan 8.230 nan 0.000 0.441 36 L N -0.398 120.815 121.223 -0.017 0.000 2.083 36 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 36 L C 2.443 179.367 176.870 0.089 0.000 1.083 36 L CA 1.253 56.116 54.840 0.039 0.000 0.752 36 L CB -0.319 41.756 42.059 0.028 0.000 0.899 36 L HN 0.227 nan 8.230 nan 0.000 0.433 37 I N -0.684 119.909 120.570 0.038 0.000 2.113 37 I HA -0.274 3.896 4.170 -0.000 0.000 0.238 37 I C 2.621 178.849 176.117 0.186 0.000 1.070 37 I CA 1.114 62.487 61.300 0.123 0.000 1.332 37 I CB -0.376 37.600 38.000 -0.039 0.000 1.044 37 I HN 0.255 nan 8.210 nan 0.000 0.402 38 R N 0.949 121.502 120.500 0.089 0.000 2.189 38 R HA -0.019 4.321 4.340 -0.000 0.000 0.223 38 R C 2.196 178.585 176.300 0.148 0.000 1.092 38 R CA 1.217 57.376 56.100 0.099 0.000 0.989 38 R CB -0.926 29.406 30.300 0.054 0.000 0.876 38 R HN 0.398 nan 8.270 nan 0.000 0.457 39 A N 1.200 124.120 122.820 0.166 0.000 1.873 39 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 39 A C 2.166 179.833 177.584 0.138 0.000 1.186 39 A CA 1.656 53.800 52.037 0.178 0.000 0.616 39 A CB -0.366 18.735 19.000 0.169 0.000 0.823 39 A HN 0.270 nan 8.150 nan 0.000 0.442 40 E N 0.259 120.552 120.200 0.155 0.000 2.085 40 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 40 E C 1.480 178.140 176.600 0.100 0.000 0.994 40 E CA 1.385 57.859 56.400 0.123 0.000 0.801 40 E CB -0.368 29.446 29.700 0.189 0.000 0.743 40 E HN 0.578 nan 8.360 nan 0.000 0.453 41 L N -0.683 120.632 121.223 0.153 0.000 2.592 41 L HA 0.284 4.624 4.340 -0.000 0.000 0.227 41 L C 1.867 178.865 176.870 0.213 0.000 1.127 41 L CA 0.309 55.281 54.840 0.221 0.000 0.884 41 L CB 0.226 42.391 42.059 0.177 0.000 1.065 41 L HN 0.195 nan 8.230 nan 0.000 0.457 42 G N -0.808 108.074 108.800 0.137 0.000 2.920 42 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.208 42 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.208 42 G C 0.461 175.417 174.900 0.095 0.000 1.159 42 G CA 0.127 45.284 45.100 0.096 0.000 0.784 42 G HN 0.326 nan 8.290 nan 0.000 0.535 43 Q N -0.405 119.464 119.800 0.116 0.000 2.438 43 Q HA 0.266 4.606 4.340 -0.000 0.000 0.272 43 Q C -3.006 172.985 176.000 -0.015 0.000 0.994 43 Q CA -1.535 54.304 55.803 0.061 0.000 0.887 43 Q CB 2.725 31.469 28.738 0.010 0.000 1.432 43 Q HN -0.054 nan 8.270 nan 0.000 0.392 44 P HA 0.300 nan 4.420 nan 0.000 0.266 44 P C -0.205 176.966 177.300 -0.216 0.000 1.195 44 P CA 0.936 63.847 63.100 -0.315 0.000 0.768 44 P CB 0.591 32.168 31.700 -0.206 0.000 0.838 45 G N 0.991 109.635 108.800 -0.260 0.000 2.422 45 G HA2 0.181 4.141 3.960 -0.000 0.000 0.607 45 G HA3 0.181 4.141 3.960 -0.000 0.000 0.607 45 G C -0.906 173.907 174.900 -0.145 0.000 1.270 45 G CA -0.282 44.721 45.100 -0.161 0.000 0.992 45 G HN 0.768 nan 8.290 nan 0.000 0.499 46 T N -1.883 112.613 114.554 -0.095 0.000 2.863 46 T HA 0.684 5.034 4.350 -0.000 0.000 0.285 46 T C 0.758 175.437 174.700 -0.036 0.000 1.009 46 T CA 0.213 62.268 62.100 -0.075 0.000 0.989 46 T CB 2.003 70.831 68.868 -0.066 0.000 1.004 46 T HN 1.703 nan 8.240 nan 0.000 0.455 47 L N 2.694 123.911 121.223 -0.010 0.000 2.435 47 L HA 0.482 4.822 4.340 -0.000 0.000 0.195 47 L C 1.945 178.835 176.870 0.033 0.000 1.072 47 L CA 0.691 55.541 54.840 0.017 0.000 0.833 47 L CB -0.602 41.481 42.059 0.039 0.000 1.081 47 L HN 0.785 nan 8.230 nan 0.000 0.485 48 L N -0.172 121.084 121.223 0.054 0.000 2.265 48 L HA 0.078 4.418 4.340 -0.000 0.000 0.215 48 L C 1.827 178.726 176.870 0.049 0.000 1.117 48 L CA 1.009 55.890 54.840 0.069 0.000 0.782 48 L CB -0.927 41.203 42.059 0.118 0.000 0.914 48 L HN 0.678 nan 8.230 nan 0.000 0.441 49 G N 0.318 109.135 108.800 0.030 0.000 5.005 49 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 49 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 49 G C 0.002 174.915 174.900 0.021 0.000 1.536 49 G CA 0.111 45.222 45.100 0.019 0.000 1.060 49 G HN 0.454 nan 8.290 nan 0.000 0.683 50 D N 1.675 122.098 120.400 0.038 0.000 2.193 50 D HA 0.448 5.088 4.640 -0.000 0.000 0.244 50 D C -0.132 176.212 176.300 0.073 0.000 1.064 50 D CA -0.211 53.813 54.000 0.041 0.000 0.845 50 D CB 1.499 42.320 40.800 0.035 0.000 1.148 50 D HN 0.297 nan 8.370 nan 0.000 0.464 51 D N 1.704 122.142 120.400 0.063 0.000 2.378 51 D HA -0.169 4.471 4.640 -0.000 0.000 0.222 51 D C 1.543 177.940 176.300 0.161 0.000 0.980 51 D CA 0.825 54.891 54.000 0.110 0.000 0.907 51 D CB 0.275 41.101 40.800 0.042 0.000 0.899 51 D HN 0.538 nan 8.370 nan 0.000 0.527 52 Q N 0.568 120.436 119.800 0.113 0.000 2.137 52 Q HA -0.089 4.251 4.340 -0.000 0.000 0.198 52 Q C 1.955 178.035 176.000 0.133 0.000 0.960 52 Q CA 0.757 56.630 55.803 0.117 0.000 0.847 52 Q CB -0.025 28.758 28.738 0.074 0.000 0.915 52 Q HN 0.057 nan 8.270 nan 0.000 0.448 53 I N 0.405 121.049 120.570 0.124 0.000 2.286 53 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 53 I C 2.042 178.239 176.117 0.133 0.000 1.115 53 I CA 1.261 62.630 61.300 0.114 0.000 1.392 53 I CB -1.440 36.621 38.000 0.101 0.000 1.065 53 I HN 0.329 nan 8.210 nan 0.000 0.418 54 Y N 2.723 123.062 120.300 0.065 0.000 2.114 54 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 54 Y C 2.401 178.352 175.900 0.087 0.000 1.143 54 Y CA 1.901 60.045 58.100 0.073 0.000 1.135 54 Y CB -0.407 38.097 38.460 0.074 0.000 0.980 54 Y HN 0.206 nan 8.280 nan 0.000 0.499 55 N N -0.104 118.667 118.700 0.118 0.000 2.166 55 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 55 N C 1.992 177.500 175.510 -0.002 0.000 1.019 55 N CA 1.571 54.649 53.050 0.047 0.000 0.856 55 N CB -0.740 37.841 38.487 0.156 0.000 0.993 55 N HN 0.322 nan 8.380 nan 0.000 0.426 56 V N 0.521 120.460 119.914 0.042 0.000 2.343 56 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 56 V C 2.351 178.456 176.094 0.019 0.000 1.051 56 V CA 1.102 63.435 62.300 0.056 0.000 1.036 56 V CB -0.380 31.493 31.823 0.083 0.000 0.654 56 V HN 0.078 nan 8.190 nan 0.000 0.451 57 V N -0.487 119.405 119.914 -0.037 0.000 2.358 57 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 57 V C 2.405 178.446 176.094 -0.089 0.000 1.047 57 V CA 1.837 64.103 62.300 -0.056 0.000 1.035 57 V CB -0.238 31.529 31.823 -0.093 0.000 0.658 57 V HN 0.405 nan 8.190 nan 0.000 0.452 58 V N -0.114 119.664 119.914 -0.227 0.000 2.407 58 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 58 V C 2.531 178.618 176.094 -0.011 0.000 1.055 58 V CA 2.623 64.827 62.300 -0.160 0.000 1.049 58 V CB -0.954 30.726 31.823 -0.238 0.000 0.662 58 V HN 0.627 nan 8.190 nan 0.000 0.455 59 T N 0.375 114.908 114.554 -0.036 0.000 2.701 59 T HA -0.133 4.217 4.350 -0.000 0.000 0.263 59 T C 2.107 176.771 174.700 -0.061 0.000 1.040 59 T CA 1.615 63.666 62.100 -0.081 0.000 1.147 59 T CB -0.493 68.354 68.868 -0.035 0.000 0.865 59 T HN 0.563 nan 8.240 nan 0.000 0.426 60 A N 1.341 124.217 122.820 0.095 0.000 1.908 60 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 60 A C 2.002 179.704 177.584 0.196 0.000 1.181 60 A CA 2.490 54.653 52.037 0.210 0.000 0.627 60 A CB -1.088 18.031 19.000 0.198 0.000 0.818 60 A HN 0.724 nan 8.150 nan 0.000 0.445 61 H N 0.183 119.273 119.070 0.033 0.000 2.289 61 H HA -0.074 4.482 4.556 -0.000 0.000 0.296 61 H C 2.138 177.461 175.328 -0.007 0.000 1.091 61 H CA 2.452 58.516 56.048 0.026 0.000 1.274 61 H CB -0.432 29.334 29.762 0.006 0.000 1.364 61 H HN 0.377 nan 8.280 nan 0.000 0.490 62 A N -0.043 122.666 122.820 -0.185 0.000 1.902 62 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 62 A C 2.204 179.636 177.584 -0.254 0.000 1.181 62 A CA 1.596 53.363 52.037 -0.450 0.000 0.623 62 A CB -1.032 17.637 19.000 -0.552 0.000 0.818 62 A HN 0.465 nan 8.150 nan 0.000 0.443 63 F N -0.155 119.837 119.950 0.070 0.000 2.186 63 F HA -0.093 4.434 4.527 -0.000 0.000 0.299 63 F C 2.495 178.411 175.800 0.195 0.000 1.090 63 F CA 0.810 58.946 58.000 0.227 0.000 1.307 63 F CB -0.982 38.170 39.000 0.253 0.000 1.019 63 F HN 0.019 nan 8.300 nan 0.000 0.489 64 V N -0.247 119.884 119.914 0.362 0.000 2.261 64 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 64 V C 2.533 178.688 176.094 0.102 0.000 1.047 64 V CA 1.560 64.038 62.300 0.296 0.000 1.015 64 V CB -0.578 31.381 31.823 0.227 0.000 0.642 64 V HN 0.189 nan 8.190 nan 0.000 0.446 65 M N -0.842 118.724 119.600 -0.058 0.000 2.117 65 M HA -0.123 4.357 4.480 -0.000 0.000 0.262 65 M C 2.147 178.340 176.300 -0.179 0.000 1.065 65 M CA 1.965 57.181 55.300 -0.141 0.000 1.114 65 M CB -1.013 31.412 32.600 -0.292 0.000 1.361 65 M HN 0.291 nan 8.290 nan 0.000 0.408 66 I N -1.165 119.252 120.570 -0.256 0.000 2.206 66 I HA -0.240 3.930 4.170 -0.000 0.000 0.239 66 I C 2.111 177.956 176.117 -0.454 0.000 1.078 66 I CA 1.270 62.320 61.300 -0.417 0.000 1.367 66 I CB -0.388 37.243 38.000 -0.616 0.000 1.078 66 I HN 0.051 nan 8.210 nan 0.000 0.413 67 F N -0.355 119.431 119.950 -0.273 0.000 2.416 67 F HA -0.025 4.502 4.527 -0.000 0.000 0.296 67 F C 1.683 177.116 175.800 -0.611 0.000 1.099 67 F CA 0.973 58.664 58.000 -0.515 0.000 1.427 67 F CB -0.124 38.365 39.000 -0.851 0.000 1.079 67 F HN -0.056 nan 8.300 nan 0.000 0.536 68 F N -2.228 117.802 119.950 0.134 0.000 2.704 68 F HA 0.237 4.764 4.527 -0.000 0.000 0.304 68 F C 1.739 177.612 175.800 0.122 0.000 1.094 68 F CA 0.041 58.112 58.000 0.119 0.000 1.275 68 F CB -0.042 38.773 39.000 -0.308 0.000 1.073 68 F HN -0.102 nan 8.300 nan 0.000 0.586 69 M N -0.976 118.725 119.600 0.168 0.000 3.160 69 M HA 0.071 4.551 4.480 -0.000 0.000 0.222 69 M C 1.906 178.268 176.300 0.103 0.000 1.703 69 M CA 0.854 56.233 55.300 0.132 0.000 1.354 69 M CB -0.303 32.332 32.600 0.058 0.000 1.115 69 M HN -0.115 nan 8.290 nan 0.000 0.594 70 V N 1.804 121.724 119.914 0.010 0.000 2.233 70 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 70 V C 2.437 178.537 176.094 0.010 0.000 1.050 70 V CA 2.215 64.509 62.300 -0.010 0.000 1.010 70 V CB -0.805 30.959 31.823 -0.099 0.000 0.637 70 V HN 0.523 nan 8.190 nan 0.000 0.444 71 M N -0.665 118.911 119.600 -0.039 0.000 2.117 71 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 71 M C -0.070 176.265 176.300 0.059 0.000 1.065 71 M CA 2.276 57.561 55.300 -0.025 0.000 1.114 71 M CB -1.373 31.177 32.600 -0.084 0.000 1.361 71 M HN 0.281 nan 8.290 nan 0.000 0.408 72 P HA -0.103 nan 4.420 nan 0.000 0.216 72 P C 1.389 178.817 177.300 0.212 0.000 1.153 72 P CA 1.280 64.564 63.100 0.306 0.000 0.848 72 P CB -0.065 31.988 31.700 0.589 0.000 0.787 73 I N -1.876 118.834 120.570 0.233 0.000 2.133 73 I HA -0.245 3.925 4.170 -0.000 0.000 0.238 73 I C 2.429 178.721 176.117 0.293 0.000 1.074 73 I CA 1.692 63.127 61.300 0.227 0.000 1.342 73 I CB -0.503 37.644 38.000 0.244 0.000 1.053 73 I HN -0.076 nan 8.210 nan 0.000 0.404 74 M N 0.004 119.766 119.600 0.271 0.000 2.077 74 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 74 M C 2.321 178.734 176.300 0.187 0.000 1.070 74 M CA 2.087 57.565 55.300 0.297 0.000 1.125 74 M CB -0.266 32.416 32.600 0.137 0.000 1.339 74 M HN 0.177 nan 8.290 nan 0.000 0.409 75 I N -0.891 119.686 120.570 0.012 0.000 2.364 75 I HA -0.031 4.139 4.170 -0.000 0.000 0.241 75 I C 2.609 178.635 176.117 -0.151 0.000 1.082 75 I CA 1.113 62.330 61.300 -0.139 0.000 1.401 75 I CB -0.781 37.115 38.000 -0.173 0.000 1.126 75 I HN 0.295 nan 8.210 nan 0.000 0.429 76 G N 0.278 108.864 108.800 -0.357 0.000 2.408 76 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.217 76 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.217 76 G C 1.566 176.159 174.900 -0.512 0.000 1.150 76 G CA 0.857 45.336 45.100 -1.035 0.000 0.776 76 G HN 0.488 nan 8.290 nan 0.000 0.542 77 G N 0.429 109.138 108.800 -0.152 0.000 2.572 77 G HA2 0.078 4.038 3.960 -0.000 0.000 0.214 77 G HA3 0.078 4.038 3.960 -0.000 0.000 0.214 77 G C 1.446 176.328 174.900 -0.030 0.000 1.246 77 G CA 0.366 45.442 45.100 -0.040 0.000 0.835 77 G HN 0.232 nan 8.290 nan 0.000 0.551 78 F N 2.074 122.088 119.950 0.106 0.000 2.269 78 F HA 0.064 4.591 4.527 -0.000 0.000 0.301 78 F C 2.801 178.729 175.800 0.213 0.000 1.082 78 F CA 0.863 58.916 58.000 0.089 0.000 1.360 78 F CB -0.447 38.571 39.000 0.030 0.000 1.041 78 F HN 0.216 nan 8.300 nan 0.000 0.512 79 G N -0.138 108.884 108.800 0.369 0.000 2.414 79 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 79 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 79 G C 1.729 176.917 174.900 0.479 0.000 1.188 79 G CA 0.725 45.999 45.100 0.290 0.000 0.783 79 G HN 0.232 nan 8.290 nan 0.000 0.537 80 N N -0.128 118.817 118.700 0.409 0.000 2.142 80 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 80 N C 1.942 177.611 175.510 0.266 0.000 1.023 80 N CA 0.859 54.061 53.050 0.252 0.000 0.852 80 N CB -0.272 38.278 38.487 0.106 0.000 0.998 80 N HN 0.536 nan 8.380 nan 0.000 0.424 81 W N 1.559 122.897 121.300 0.063 0.000 2.354 81 W HA -0.019 4.641 4.660 -0.000 0.000 0.315 81 W C 2.140 178.722 176.519 0.105 0.000 1.206 81 W CA 0.736 58.087 57.345 0.009 0.000 1.290 81 W CB -0.267 28.998 29.460 -0.325 0.000 1.152 81 W HN 0.006 nan 8.180 nan 0.000 0.489 82 L N -1.544 119.887 121.223 0.347 0.000 2.202 82 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 82 L C 2.094 179.070 176.870 0.177 0.000 1.083 82 L CA 0.159 55.096 54.840 0.161 0.000 0.790 82 L CB -1.248 40.718 42.059 -0.154 0.000 0.942 82 L HN -0.203 nan 8.230 nan 0.000 0.452 83 V N 0.950 121.006 119.914 0.237 0.000 2.252 83 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 83 V C -0.100 175.995 176.094 0.002 0.000 1.056 83 V CA 2.354 64.746 62.300 0.152 0.000 1.022 83 V CB -1.498 30.456 31.823 0.217 0.000 0.641 83 V HN 0.321 nan 8.190 nan 0.000 0.445 84 P HA -0.106 nan 4.420 nan 0.000 0.217 84 P C 1.902 179.099 177.300 -0.173 0.000 1.150 84 P CA 1.321 64.254 63.100 -0.278 0.000 0.832 84 P CB -0.068 31.224 31.700 -0.679 0.000 0.787 85 L N -1.973 119.255 121.223 0.009 0.000 2.131 85 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 85 L C 2.339 179.264 176.870 0.090 0.000 1.092 85 L CA 1.461 56.410 54.840 0.183 0.000 0.759 85 L CB -0.798 41.426 42.059 0.275 0.000 0.903 85 L HN 0.023 nan 8.230 nan 0.000 0.435 86 M N -0.258 119.380 119.600 0.064 0.000 2.492 86 M HA -0.014 4.466 4.480 -0.000 0.000 0.262 86 M C 1.648 177.952 176.300 0.007 0.000 1.090 86 M CA 1.205 56.563 55.300 0.096 0.000 1.110 86 M CB 0.098 32.805 32.600 0.177 0.000 1.407 86 M HN 0.324 nan 8.290 nan 0.000 0.470 87 I N -4.057 116.444 120.570 -0.115 0.000 4.009 87 I HA 0.497 4.667 4.170 -0.000 0.000 0.331 87 I C 0.748 176.654 176.117 -0.352 0.000 1.462 87 I CA -0.226 60.969 61.300 -0.175 0.000 1.117 87 I CB -0.060 37.848 38.000 -0.152 0.000 1.091 87 I HN 0.267 nan 8.210 nan 0.000 0.410 88 G N 2.008 110.417 108.800 -0.652 0.000 2.273 88 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.280 88 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.280 88 G C 0.188 174.493 174.900 -0.992 0.000 1.047 88 G CA 0.197 44.476 45.100 -1.368 0.000 0.869 88 G HN 0.961 nan 8.290 nan 0.000 0.502 89 A N 0.098 122.527 122.820 -0.651 0.000 2.306 89 A HA 0.910 5.230 4.320 -0.000 0.000 0.330 89 A C -0.237 177.270 177.584 -0.127 0.000 1.146 89 A CA -0.998 50.849 52.037 -0.317 0.000 0.827 89 A CB 1.397 20.236 19.000 -0.270 0.000 1.178 89 A HN 0.103 nan 8.150 nan 0.000 0.490 90 P HA -0.016 nan 4.420 nan 0.000 0.219 90 P C 0.057 177.386 177.300 0.050 0.000 1.150 90 P CA 1.200 64.352 63.100 0.087 0.000 0.814 90 P CB 0.405 32.131 31.700 0.043 0.000 0.787 91 D N -3.036 117.310 120.400 -0.090 0.000 3.024 91 D HA 0.132 4.772 4.640 -0.000 0.000 0.354 91 D C -0.572 175.585 176.300 -0.238 0.000 1.431 91 D CA -0.480 53.440 54.000 -0.134 0.000 0.842 91 D CB 0.477 41.271 40.800 -0.010 0.000 1.437 91 D HN -0.333 nan 8.370 nan 0.000 0.507 92 M N 0.906 120.369 119.600 -0.229 0.000 2.197 92 M HA 0.354 4.834 4.480 -0.000 0.000 0.305 92 M C 1.326 177.439 176.300 -0.311 0.000 1.162 92 M CA 0.027 55.154 55.300 -0.289 0.000 1.099 92 M CB 0.209 32.632 32.600 -0.295 0.000 1.430 92 M HN 0.596 nan 8.290 nan 0.000 0.481 93 A N 0.816 123.355 122.820 -0.469 0.000 1.930 93 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 93 A C 0.442 177.556 177.584 -0.784 0.000 1.175 93 A CA 1.488 53.084 52.037 -0.735 0.000 0.627 93 A CB -0.237 18.074 19.000 -1.147 0.000 0.815 93 A HN 0.573 nan 8.150 nan 0.000 0.443 94 F N -0.527 119.368 119.950 -0.092 0.000 2.550 94 F HA 0.333 4.860 4.527 -0.000 0.000 0.348 94 F C -1.821 173.940 175.800 -0.066 0.000 1.219 94 F CA -2.788 55.171 58.000 -0.067 0.000 1.203 94 F CB 1.099 40.063 39.000 -0.059 0.000 1.436 94 F HN 0.053 nan 8.300 nan 0.000 0.541 95 P HA -0.169 nan 4.420 nan 0.000 0.222 95 P C 1.667 178.995 177.300 0.047 0.000 1.147 95 P CA 1.231 64.340 63.100 0.016 0.000 0.790 95 P CB 0.521 32.216 31.700 -0.009 0.000 0.780 96 R N -0.586 119.956 120.500 0.069 0.000 2.062 96 R HA 0.078 4.418 4.340 -0.000 0.000 0.226 96 R C 2.585 178.928 176.300 0.072 0.000 1.125 96 R CA 0.877 57.012 56.100 0.058 0.000 0.966 96 R CB -0.637 29.685 30.300 0.036 0.000 0.861 96 R HN 0.052 nan 8.270 nan 0.000 0.433 97 M N 0.901 120.549 119.600 0.080 0.000 2.159 97 M HA -0.206 4.274 4.480 -0.000 0.000 0.263 97 M C 1.695 178.050 176.300 0.091 0.000 1.063 97 M CA 1.764 57.104 55.300 0.068 0.000 1.110 97 M CB -0.193 32.435 32.600 0.047 0.000 1.374 97 M HN 0.087 nan 8.290 nan 0.000 0.411 98 N N 0.887 119.643 118.700 0.092 0.000 2.149 98 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 98 N C 1.330 176.920 175.510 0.134 0.000 1.019 98 N CA 1.781 54.881 53.050 0.083 0.000 0.857 98 N CB -0.431 38.067 38.487 0.019 0.000 0.997 98 N HN 0.409 nan 8.380 nan 0.000 0.426 99 N N -0.116 118.666 118.700 0.136 0.000 2.244 99 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 99 N C 1.678 177.351 175.510 0.271 0.000 1.016 99 N CA 0.823 53.999 53.050 0.209 0.000 0.866 99 N CB -0.200 38.428 38.487 0.235 0.000 0.980 99 N HN 0.374 nan 8.380 nan 0.000 0.430 100 M N -0.660 119.056 119.600 0.193 0.000 2.254 100 M HA -0.050 4.430 4.480 -0.000 0.000 0.265 100 M C 1.680 178.046 176.300 0.111 0.000 1.066 100 M CA 0.987 56.388 55.300 0.168 0.000 1.123 100 M CB 0.017 32.674 32.600 0.096 0.000 1.388 100 M HN 0.034 nan 8.290 nan 0.000 0.425 101 S N 0.426 116.198 115.700 0.119 0.000 2.370 101 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 101 S C 1.464 176.085 174.600 0.035 0.000 1.033 101 S CA 1.575 59.853 58.200 0.130 0.000 1.011 101 S CB -0.529 62.810 63.200 0.232 0.000 0.852 101 S HN 0.639 nan 8.310 nan 0.000 0.457 102 F N 0.699 120.539 119.950 -0.184 0.000 2.098 102 F HA -0.003 4.524 4.527 -0.000 0.000 0.294 102 F C 1.629 177.059 175.800 -0.617 0.000 1.107 102 F CA 0.966 58.546 58.000 -0.700 0.000 1.234 102 F CB -0.650 37.744 39.000 -1.010 0.000 1.002 102 F HN 0.205 nan 8.300 nan 0.000 0.472 103 W N 0.631 121.692 121.300 -0.398 0.000 2.721 103 W HA -0.036 4.624 4.660 -0.000 0.000 0.245 103 W C 1.913 178.231 176.519 -0.335 0.000 1.276 103 W CA 0.374 57.481 57.345 -0.396 0.000 1.342 103 W CB -0.333 29.087 29.460 -0.066 0.000 1.135 103 W HN 0.073 nan 8.180 nan 0.000 0.654 104 L N -0.807 120.332 121.223 -0.140 0.000 2.341 104 L HA -0.141 4.199 4.340 -0.000 0.000 0.214 104 L C 2.057 178.849 176.870 -0.130 0.000 1.115 104 L CA 0.159 54.960 54.840 -0.066 0.000 0.820 104 L CB -0.393 41.656 42.059 -0.017 0.000 0.944 104 L HN 0.008 nan 8.230 nan 0.000 0.452 105 L N 0.222 121.213 121.223 -0.386 0.000 2.027 105 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 105 L C -0.193 176.529 176.870 -0.248 0.000 1.074 105 L CA 2.055 56.649 54.840 -0.409 0.000 0.745 105 L CB -1.850 39.627 42.059 -0.970 0.000 0.898 105 L HN 0.060 nan 8.230 nan 0.000 0.433 106 P HA -0.100 nan 4.420 nan 0.000 0.215 106 P C -1.293 176.076 177.300 0.114 0.000 1.157 106 P CA 1.768 64.911 63.100 0.072 0.000 0.868 106 P CB -0.880 30.864 31.700 0.074 0.000 0.788 107 P HA -0.176 nan 4.420 nan 0.000 0.215 107 P C 1.892 179.255 177.300 0.105 0.000 1.157 107 P CA 1.805 64.950 63.100 0.075 0.000 0.868 107 P CB -0.505 31.227 31.700 0.054 0.000 0.788 108 S N -1.816 113.962 115.700 0.129 0.000 2.374 108 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 108 S C 1.840 176.568 174.600 0.213 0.000 1.037 108 S CA 1.052 59.376 58.200 0.206 0.000 1.024 108 S CB -1.013 62.371 63.200 0.306 0.000 0.861 108 S HN -0.072 nan 8.310 nan 0.000 0.456 109 F N 1.904 121.765 119.950 -0.149 0.000 2.146 109 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 109 F C 1.922 177.633 175.800 -0.148 0.000 1.096 109 F CA 0.858 58.578 58.000 -0.467 0.000 1.275 109 F CB -1.242 37.523 39.000 -0.391 0.000 1.008 109 F HN 0.305 nan 8.300 nan 0.000 0.480 110 L N 0.500 121.791 121.223 0.113 0.000 1.990 110 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 110 L C 2.252 179.162 176.870 0.066 0.000 1.072 110 L CA 1.893 56.747 54.840 0.022 0.000 0.755 110 L CB -1.138 40.938 42.059 0.028 0.000 0.889 110 L HN 0.174 nan 8.230 nan 0.000 0.432 111 L N -1.261 120.023 121.223 0.103 0.000 2.042 111 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 111 L C 2.533 179.482 176.870 0.133 0.000 1.076 111 L CA 1.240 56.149 54.840 0.116 0.000 0.749 111 L CB -0.765 41.376 42.059 0.137 0.000 0.893 111 L HN 0.391 nan 8.230 nan 0.000 0.432 112 L N -0.225 121.103 121.223 0.175 0.000 2.046 112 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 112 L C 2.291 179.276 176.870 0.191 0.000 1.077 112 L CA 1.659 56.626 54.840 0.212 0.000 0.747 112 L CB -0.367 41.890 42.059 0.330 0.000 0.896 112 L HN 0.103 nan 8.230 nan 0.000 0.432 113 L N -0.767 120.544 121.223 0.146 0.000 2.093 113 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 113 L C 2.650 179.562 176.870 0.069 0.000 1.085 113 L CA 1.062 55.947 54.840 0.075 0.000 0.755 113 L CB -0.906 41.127 42.059 -0.044 0.000 0.904 113 L HN 0.361 nan 8.230 nan 0.000 0.435 114 A N 0.176 123.037 122.820 0.067 0.000 1.933 114 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 114 A C 2.540 180.171 177.584 0.079 0.000 1.175 114 A CA 1.916 53.991 52.037 0.064 0.000 0.628 114 A CB -0.662 18.377 19.000 0.064 0.000 0.814 114 A HN 0.526 nan 8.150 nan 0.000 0.444 115 S N 0.508 116.265 115.700 0.096 0.000 2.399 115 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 115 S C 1.912 176.571 174.600 0.098 0.000 1.022 115 S CA 1.741 59.999 58.200 0.097 0.000 0.983 115 S CB -0.821 62.440 63.200 0.102 0.000 0.803 115 S HN 0.961 nan 8.310 nan 0.000 0.480 116 S N 0.125 115.886 115.700 0.102 0.000 2.603 116 S HA 0.292 4.762 4.470 -0.000 0.000 0.220 116 S C 1.581 176.227 174.600 0.077 0.000 0.967 116 S CA 0.055 58.313 58.200 0.097 0.000 0.920 116 S CB -0.376 62.887 63.200 0.104 0.000 0.773 116 S HN 0.521 nan 8.310 nan 0.000 0.529 117 M N 1.337 120.978 119.600 0.068 0.000 2.653 117 M HA 0.235 4.715 4.480 -0.000 0.000 0.259 117 M C 0.615 176.947 176.300 0.053 0.000 1.244 117 M CA 0.247 55.580 55.300 0.055 0.000 1.163 117 M CB 0.701 33.328 32.600 0.045 0.000 1.309 117 M HN 0.363 nan 8.290 nan 0.000 0.509 118 V N -0.723 119.226 119.914 0.059 0.000 2.785 118 V HA 0.368 4.488 4.120 -0.000 0.000 0.300 118 V C 0.671 176.802 176.094 0.061 0.000 1.062 118 V CA -0.991 61.343 62.300 0.056 0.000 1.029 118 V CB 0.939 32.797 31.823 0.059 0.000 1.024 118 V HN 0.472 nan 8.190 nan 0.000 0.477 119 E N 2.204 122.436 120.200 0.053 0.000 3.440 119 E HA -0.340 4.010 4.350 -0.000 0.000 0.328 119 E C 0.941 177.575 176.600 0.056 0.000 1.514 119 E CA 2.053 58.485 56.400 0.053 0.000 1.926 119 E CB -1.582 28.156 29.700 0.063 0.000 1.874 119 E HN 1.518 nan 8.360 nan 0.000 0.471 120 A N 1.344 124.204 122.820 0.065 0.000 2.500 120 A HA 0.510 4.830 4.320 -0.000 0.000 0.267 120 A C 0.905 178.552 177.584 0.105 0.000 1.290 120 A CA 1.469 53.548 52.037 0.069 0.000 0.928 120 A CB -0.153 18.874 19.000 0.045 0.000 1.066 120 A HN 1.384 nan 8.150 nan 0.000 0.516 121 G N -1.068 107.801 108.800 0.115 0.000 2.855 121 G HA2 0.280 4.240 3.960 -0.000 0.000 0.352 121 G HA3 0.280 4.240 3.960 -0.000 0.000 0.352 121 G C 0.121 175.127 174.900 0.177 0.000 1.415 121 G CA -0.302 44.875 45.100 0.128 0.000 0.871 121 G HN 1.742 nan 8.290 nan 0.000 0.543 122 A N 0.342 123.237 122.820 0.124 0.000 2.582 122 A HA 0.718 5.038 4.320 -0.000 0.000 0.336 122 A C 0.935 178.534 177.584 0.025 0.000 1.445 122 A CA 0.839 52.888 52.037 0.018 0.000 0.997 122 A CB 0.205 19.191 19.000 -0.024 0.000 1.148 122 A HN 2.293 nan 8.150 nan 0.000 0.514 123 G N 1.515 110.418 108.800 0.172 0.000 3.636 123 G HA2 0.340 4.300 3.960 -0.000 0.000 0.260 123 G HA3 0.340 4.300 3.960 -0.000 0.000 0.260 123 G C 0.777 175.721 174.900 0.073 0.000 1.014 123 G CA 0.567 45.755 45.100 0.146 0.000 1.797 123 G HN 0.772 nan 8.290 nan 0.000 0.637 124 T N -2.558 111.939 114.554 -0.095 0.000 3.001 124 T HA 0.485 4.835 4.350 -0.000 0.000 0.251 124 T C 1.182 175.804 174.700 -0.130 0.000 1.040 124 T CA 0.545 62.561 62.100 -0.140 0.000 0.985 124 T CB 0.513 69.219 68.868 -0.271 0.000 1.011 124 T HN 1.555 nan 8.240 nan 0.000 0.509 125 G N 1.544 110.285 108.800 -0.098 0.000 2.690 125 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 125 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 125 G C 0.225 175.010 174.900 -0.193 0.000 1.277 125 G CA -0.244 44.788 45.100 -0.113 0.000 0.799 125 G HN 0.614 nan 8.290 nan 0.000 0.613 126 W N 0.538 121.587 121.300 -0.417 0.000 2.611 126 W HA -0.006 4.654 4.660 -0.000 0.000 0.251 126 W C 1.432 177.746 176.519 -0.341 0.000 1.265 126 W CA 1.854 58.823 57.345 -0.627 0.000 1.295 126 W CB -1.383 27.656 29.460 -0.702 0.000 1.129 126 W HN 0.966 nan 8.180 nan 0.000 0.630 127 T N -0.482 113.466 114.554 -1.010 0.000 3.088 127 T HA -0.009 4.341 4.350 -0.000 0.000 0.259 127 T C 1.375 175.495 174.700 -0.966 0.000 1.122 127 T CA 0.571 61.741 62.100 -1.551 0.000 1.095 127 T CB -0.703 67.204 68.868 -1.601 0.000 0.930 127 T HN 0.246 nan 8.240 nan 0.000 0.508 128 V N 1.865 121.460 119.914 -0.531 0.000 5.257 128 V HA -0.219 3.901 4.120 -0.000 0.000 0.265 128 V C -0.677 175.155 176.094 -0.437 0.000 0.646 128 V CA 0.125 62.222 62.300 -0.338 0.000 0.650 128 V CB -2.206 29.530 31.823 -0.144 0.000 0.424 128 V HN 0.560 nan 8.190 nan 0.000 0.862 129 Y N 3.414 123.393 120.300 -0.536 0.000 2.411 129 Y HA 0.514 5.064 4.550 -0.000 0.000 0.333 129 Y C -1.063 174.520 175.900 -0.528 0.000 1.186 129 Y CA -2.383 55.333 58.100 -0.641 0.000 1.381 129 Y CB 0.439 38.717 38.460 -0.303 0.000 1.273 129 Y HN 0.369 nan 8.280 nan 0.000 0.546 130 P HA 0.286 nan 4.420 nan 0.000 0.283 130 P C -2.400 174.835 177.300 -0.108 0.000 1.271 130 P CA -2.025 60.927 63.100 -0.245 0.000 0.841 130 P CB 1.765 33.301 31.700 -0.272 0.000 1.122 131 P HA -0.012 nan 4.420 nan 0.000 0.225 131 P C 1.609 178.930 177.300 0.035 0.000 1.156 131 P CA 0.273 63.384 63.100 0.018 0.000 0.787 131 P CB -0.109 31.615 31.700 0.039 0.000 0.802 132 L N 0.238 121.488 121.223 0.046 0.000 2.129 132 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 132 L C 1.895 178.855 176.870 0.150 0.000 1.087 132 L CA 2.027 56.931 54.840 0.107 0.000 0.757 132 L CB -1.291 40.830 42.059 0.103 0.000 0.896 132 L HN -0.068 nan 8.230 nan 0.000 0.434 133 A N -1.125 121.690 122.820 -0.009 0.000 2.275 133 A HA 0.446 4.766 4.320 -0.000 0.000 0.212 133 A C 1.369 178.943 177.584 -0.017 0.000 1.201 133 A CA 0.298 52.282 52.037 -0.088 0.000 0.843 133 A CB -1.096 17.772 19.000 -0.220 0.000 0.873 133 A HN 0.457 nan 8.150 nan 0.000 0.492 134 G N 0.233 109.050 108.800 0.028 0.000 2.651 134 G HA2 0.244 4.204 3.960 -0.000 0.000 0.260 134 G HA3 0.244 4.204 3.960 -0.000 0.000 0.260 134 G C 0.555 175.496 174.900 0.068 0.000 1.216 134 G CA 0.135 45.264 45.100 0.048 0.000 0.913 134 G HN 0.478 nan 8.290 nan 0.000 0.535 135 N N -0.287 118.447 118.700 0.057 0.000 2.571 135 N HA -0.047 4.693 4.740 -0.000 0.000 0.189 135 N C 1.273 176.811 175.510 0.045 0.000 1.154 135 N CA 0.335 53.417 53.050 0.053 0.000 0.907 135 N CB 0.201 38.714 38.487 0.043 0.000 0.977 135 N HN 0.274 nan 8.380 nan 0.000 0.449 136 L N -0.173 121.076 121.223 0.044 0.000 2.276 136 L HA 0.342 4.682 4.340 -0.000 0.000 0.194 136 L C 1.981 178.860 176.870 0.016 0.000 1.099 136 L CA 1.244 56.100 54.840 0.028 0.000 0.800 136 L CB -1.182 40.894 42.059 0.028 0.000 0.994 136 L HN 0.264 nan 8.230 nan 0.000 0.475 137 A N -1.655 121.181 122.820 0.027 0.000 2.066 137 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 137 A C 0.283 177.803 177.584 -0.107 0.000 1.157 137 A CA 0.842 52.873 52.037 -0.011 0.000 0.670 137 A CB -0.524 18.500 19.000 0.039 0.000 0.804 137 A HN 0.622 nan 8.150 nan 0.000 0.453 138 H N -1.027 118.049 119.070 0.010 0.000 2.429 138 H HA 0.554 5.110 4.556 -0.000 0.000 0.231 138 H C 0.023 175.358 175.328 0.012 0.000 1.416 138 H CA 0.002 56.057 56.048 0.011 0.000 1.443 138 H CB 0.574 30.338 29.762 0.004 0.000 1.591 138 H HN 0.416 nan 8.280 nan 0.000 0.507 139 A N 1.378 124.229 122.820 0.052 0.000 2.351 139 A HA 0.690 5.010 4.320 -0.000 0.000 0.257 139 A C 0.893 178.514 177.584 0.062 0.000 1.087 139 A CA 0.505 52.572 52.037 0.051 0.000 0.798 139 A CB 0.039 19.053 19.000 0.025 0.000 1.033 139 A HN 0.882 nan 8.150 nan 0.000 0.488 140 G N -1.301 107.533 108.800 0.058 0.000 2.541 140 G HA2 0.376 4.336 3.960 -0.000 0.000 0.686 140 G HA3 0.376 4.336 3.960 -0.000 0.000 0.686 140 G C 0.632 175.572 174.900 0.067 0.000 1.286 140 G CA 0.097 45.234 45.100 0.061 0.000 0.894 140 G HN 1.953 nan 8.290 nan 0.000 0.575 141 A N -0.186 122.675 122.820 0.068 0.000 2.067 141 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 141 A C 2.699 180.325 177.584 0.069 0.000 1.158 141 A CA 2.565 54.646 52.037 0.073 0.000 0.661 141 A CB -0.645 18.404 19.000 0.082 0.000 0.801 141 A HN 1.612 nan 8.150 nan 0.000 0.452 142 S N -0.195 115.551 115.700 0.077 0.000 2.369 142 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 142 S C 1.874 176.494 174.600 0.034 0.000 1.043 142 S CA 1.826 60.071 58.200 0.075 0.000 1.074 142 S CB -0.645 62.620 63.200 0.108 0.000 0.962 142 S HN 0.384 nan 8.310 nan 0.000 0.433 143 V N 2.348 122.265 119.914 0.004 0.000 2.407 143 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 143 V C 2.016 178.045 176.094 -0.107 0.000 1.055 143 V CA 1.755 64.014 62.300 -0.068 0.000 1.049 143 V CB -0.724 31.041 31.823 -0.096 0.000 0.662 143 V HN 0.394 nan 8.190 nan 0.000 0.455 144 D N -0.009 120.336 120.400 -0.092 0.000 2.144 144 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 144 D C 2.136 178.328 176.300 -0.179 0.000 0.978 144 D CA 1.071 54.946 54.000 -0.209 0.000 0.833 144 D CB -0.126 40.609 40.800 -0.109 0.000 0.961 144 D HN 0.343 nan 8.370 nan 0.000 0.470 145 L N 0.525 121.762 121.223 0.023 0.000 2.093 145 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 145 L C 2.465 179.366 176.870 0.051 0.000 1.085 145 L CA 1.006 55.923 54.840 0.128 0.000 0.755 145 L CB -0.433 41.699 42.059 0.122 0.000 0.904 145 L HN 0.012 nan 8.230 nan 0.000 0.435 146 T N 0.058 114.595 114.554 -0.028 0.000 2.777 146 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 146 T C 1.913 176.480 174.700 -0.222 0.000 1.040 146 T CA 1.210 63.254 62.100 -0.092 0.000 1.141 146 T CB -0.127 68.711 68.868 -0.051 0.000 0.868 146 T HN 0.182 nan 8.240 nan 0.000 0.444 147 I N 0.268 120.667 120.570 -0.285 0.000 2.226 147 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 147 I C 1.979 177.848 176.117 -0.412 0.000 1.100 147 I CA 1.371 62.409 61.300 -0.437 0.000 1.374 147 I CB -0.353 37.322 38.000 -0.541 0.000 1.057 147 I HN 0.174 nan 8.210 nan 0.000 0.413 148 F N 0.449 120.317 119.950 -0.135 0.000 2.186 148 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 148 F C 2.947 178.727 175.800 -0.034 0.000 1.090 148 F CA 1.414 59.398 58.000 -0.025 0.000 1.307 148 F CB -1.193 37.831 39.000 0.039 0.000 1.019 148 F HN 0.043 nan 8.300 nan 0.000 0.489 149 S N 0.184 115.949 115.700 0.109 0.000 2.359 149 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 149 S C 2.112 176.680 174.600 -0.053 0.000 1.035 149 S CA 1.095 59.338 58.200 0.071 0.000 1.018 149 S CB -0.421 62.814 63.200 0.059 0.000 0.876 149 S HN 0.161 nan 8.310 nan 0.000 0.448 150 L N 1.182 122.245 121.223 -0.266 0.000 2.141 150 L HA 0.048 4.388 4.340 -0.000 0.000 0.209 150 L C 2.213 178.952 176.870 -0.219 0.000 1.094 150 L CA 1.760 56.336 54.840 -0.440 0.000 0.763 150 L CB -1.343 40.356 42.059 -0.601 0.000 0.908 150 L HN 0.512 nan 8.230 nan 0.000 0.437 151 H N -1.599 117.422 119.070 -0.082 0.000 2.326 151 H HA -0.070 4.486 4.556 -0.000 0.000 0.301 151 H C 2.199 177.522 175.328 -0.010 0.000 1.081 151 H CA 0.928 56.963 56.048 -0.022 0.000 1.334 151 H CB 0.171 29.987 29.762 0.090 0.000 1.385 151 H HN 0.169 nan 8.280 nan 0.000 0.504 152 L N 0.033 121.349 121.223 0.154 0.000 2.046 152 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 152 L C 2.799 179.710 176.870 0.068 0.000 1.077 152 L CA 0.959 55.856 54.840 0.095 0.000 0.747 152 L CB -0.595 41.522 42.059 0.097 0.000 0.896 152 L HN 0.346 nan 8.230 nan 0.000 0.432 153 A N 0.283 123.128 122.820 0.041 0.000 1.969 153 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 153 A C 2.371 179.985 177.584 0.050 0.000 1.169 153 A CA 1.555 53.613 52.037 0.034 0.000 0.635 153 A CB -0.931 18.023 19.000 -0.075 0.000 0.810 153 A HN 0.451 nan 8.150 nan 0.000 0.445 154 G N -0.584 108.229 108.800 0.021 0.000 2.394 154 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.214 154 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.214 154 G C 1.492 176.427 174.900 0.060 0.000 1.176 154 G CA 1.069 46.194 45.100 0.041 0.000 0.786 154 G HN 0.272 nan 8.290 nan 0.000 0.533 155 V N 1.102 121.048 119.914 0.053 0.000 2.332 155 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 155 V C 3.087 179.215 176.094 0.057 0.000 1.055 155 V CA 2.310 64.636 62.300 0.043 0.000 1.038 155 V CB -0.450 31.390 31.823 0.027 0.000 0.651 155 V HN 0.509 nan 8.190 nan 0.000 0.450 156 S N -0.185 115.555 115.700 0.067 0.000 2.353 156 S HA -0.227 4.243 4.470 -0.000 0.000 0.222 156 S C 2.150 176.821 174.600 0.118 0.000 1.035 156 S CA 2.316 60.568 58.200 0.086 0.000 1.025 156 S CB -0.346 62.901 63.200 0.077 0.000 0.902 156 S HN 0.613 nan 8.310 nan 0.000 0.440 157 S N 0.809 116.581 115.700 0.121 0.000 2.428 157 S HA 0.150 4.620 4.470 -0.000 0.000 0.230 157 S C 1.704 176.379 174.600 0.124 0.000 1.014 157 S CA 0.959 59.239 58.200 0.132 0.000 0.957 157 S CB -0.346 62.931 63.200 0.128 0.000 0.784 157 S HN 0.515 nan 8.310 nan 0.000 0.499 158 I N 0.736 121.367 120.570 0.101 0.000 2.233 158 I HA -0.131 4.039 4.170 -0.000 0.000 0.243 158 I C 1.891 178.062 176.117 0.089 0.000 1.093 158 I CA 0.758 62.112 61.300 0.090 0.000 1.380 158 I CB -0.173 37.866 38.000 0.065 0.000 1.067 158 I HN 0.219 nan 8.210 nan 0.000 0.413 159 L N 0.703 121.972 121.223 0.078 0.000 2.083 159 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 159 L C 2.478 179.410 176.870 0.103 0.000 1.083 159 L CA 2.014 56.895 54.840 0.069 0.000 0.752 159 L CB -1.533 40.559 42.059 0.056 0.000 0.899 159 L HN 0.241 nan 8.230 nan 0.000 0.433 160 G N -1.593 107.289 108.800 0.137 0.000 2.408 160 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 160 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 160 G C 1.689 176.742 174.900 0.255 0.000 1.150 160 G CA 0.722 45.930 45.100 0.179 0.000 0.776 160 G HN 0.499 nan 8.290 nan 0.000 0.542 161 A N 0.848 123.799 122.820 0.218 0.000 1.902 161 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 161 A C 2.373 180.067 177.584 0.184 0.000 1.181 161 A CA 1.170 53.335 52.037 0.214 0.000 0.623 161 A CB -0.339 18.747 19.000 0.144 0.000 0.818 161 A HN 0.371 nan 8.150 nan 0.000 0.443 162 I N -0.174 120.483 120.570 0.146 0.000 2.226 162 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 162 I C 2.458 178.692 176.117 0.194 0.000 1.100 162 I CA 1.280 62.669 61.300 0.148 0.000 1.374 162 I CB -0.440 37.628 38.000 0.113 0.000 1.057 162 I HN 0.346 nan 8.210 nan 0.000 0.413 163 N N 0.996 119.792 118.700 0.160 0.000 2.058 163 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 163 N C 1.857 177.297 175.510 -0.117 0.000 1.037 163 N CA 1.720 54.792 53.050 0.037 0.000 0.848 163 N CB -0.260 38.163 38.487 -0.106 0.000 1.021 163 N HN 0.146 nan 8.380 nan 0.000 0.422 164 F N 1.279 121.224 119.950 -0.008 0.000 2.134 164 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 164 F C 2.345 178.099 175.800 -0.076 0.000 1.097 164 F CA 0.686 58.649 58.000 -0.061 0.000 1.264 164 F CB -0.422 38.540 39.000 -0.063 0.000 1.001 164 F HN 0.032 nan 8.300 nan 0.000 0.479 165 I N -0.972 119.684 120.570 0.144 0.000 2.202 165 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 165 I C 2.266 178.381 176.117 -0.003 0.000 1.091 165 I CA 1.512 62.845 61.300 0.055 0.000 1.368 165 I CB -0.872 37.167 38.000 0.065 0.000 1.058 165 I HN 0.081 nan 8.210 nan 0.000 0.410 166 T N 0.134 114.689 114.554 0.001 0.000 2.708 166 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 166 T C 1.930 176.539 174.700 -0.152 0.000 1.037 166 T CA 2.123 64.188 62.100 -0.059 0.000 1.146 166 T CB -0.406 68.430 68.868 -0.055 0.000 0.865 166 T HN 0.354 nan 8.240 nan 0.000 0.435 167 T N 2.273 116.710 114.554 -0.195 0.000 2.622 167 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 167 T C 1.983 176.585 174.700 -0.164 0.000 1.047 167 T CA 1.195 63.163 62.100 -0.219 0.000 1.159 167 T CB -0.509 68.221 68.868 -0.231 0.000 0.863 167 T HN 0.321 nan 8.240 nan 0.000 0.422 168 I N 0.265 120.763 120.570 -0.119 0.000 2.361 168 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 168 I C 2.185 178.193 176.117 -0.182 0.000 1.133 168 I CA 1.254 62.466 61.300 -0.146 0.000 1.413 168 I CB -0.315 37.603 38.000 -0.136 0.000 1.073 168 I HN 0.252 nan 8.210 nan 0.000 0.424 169 I N 0.228 120.706 120.570 -0.154 0.000 2.585 169 I HA -0.175 3.995 4.170 -0.000 0.000 0.254 169 I C 2.013 178.051 176.117 -0.132 0.000 1.129 169 I CA 1.053 62.263 61.300 -0.150 0.000 1.455 169 I CB -0.112 37.823 38.000 -0.108 0.000 1.111 169 I HN 0.238 nan 8.210 nan 0.000 0.433 170 N N 0.459 119.082 118.700 -0.130 0.000 2.388 170 N HA 0.096 4.836 4.740 -0.000 0.000 0.176 170 N C 1.051 176.481 175.510 -0.133 0.000 1.062 170 N CA 0.553 53.530 53.050 -0.121 0.000 0.895 170 N CB 0.300 38.716 38.487 -0.119 0.000 1.018 170 N HN 0.102 nan 8.380 nan 0.000 0.456 171 M N 0.383 119.889 119.600 -0.156 0.000 2.866 171 M HA 0.231 4.711 4.480 -0.000 0.000 0.319 171 M C -0.503 175.699 176.300 -0.163 0.000 1.244 171 M CA -0.149 55.055 55.300 -0.160 0.000 0.974 171 M CB 0.633 33.122 32.600 -0.187 0.000 1.291 171 M HN -0.139 nan 8.290 nan 0.000 0.513 172 K N 0.786 121.096 120.400 -0.150 0.000 2.132 172 K HA 0.536 4.856 4.320 -0.000 0.000 0.241 172 K C -2.482 174.042 176.600 -0.127 0.000 1.000 172 K CA -1.779 54.419 56.287 -0.149 0.000 0.911 172 K CB 0.412 32.827 32.500 -0.143 0.000 1.093 172 K HN -0.135 nan 8.250 nan 0.000 0.460 173 P HA 0.033 nan 4.420 nan 0.000 0.268 173 P C -2.141 175.104 177.300 -0.093 0.000 1.204 173 P CA -0.909 62.130 63.100 -0.101 0.000 0.768 173 P CB 0.246 31.890 31.700 -0.093 0.000 0.842 174 P HA -0.254 nan 4.420 nan 0.000 0.218 174 P C 0.918 178.174 177.300 -0.073 0.000 1.150 174 P CA 1.849 64.903 63.100 -0.076 0.000 0.841 174 P CB -0.115 31.542 31.700 -0.072 0.000 0.784 175 A N -2.059 120.711 122.820 -0.083 0.000 2.147 175 A HA 0.121 4.441 4.320 -0.000 0.000 0.211 175 A C 1.225 178.778 177.584 -0.052 0.000 1.160 175 A CA -0.061 51.934 52.037 -0.070 0.000 0.781 175 A CB -0.780 18.166 19.000 -0.091 0.000 0.842 175 A HN 0.168 nan 8.150 nan 0.000 0.475 176 M N 2.214 121.778 119.600 -0.059 0.000 2.146 176 M HA 0.281 4.761 4.480 -0.000 0.000 0.352 176 M C 0.429 176.697 176.300 -0.053 0.000 1.343 176 M CA -0.223 55.049 55.300 -0.047 0.000 1.115 176 M CB 0.587 33.153 32.600 -0.057 0.000 1.657 176 M HN 0.405 nan 8.290 nan 0.000 0.471 177 S N 3.243 118.928 115.700 -0.025 0.000 2.681 177 S HA 0.183 4.653 4.470 -0.000 0.000 0.270 177 S C 0.614 175.149 174.600 -0.108 0.000 1.209 177 S CA -0.582 57.589 58.200 -0.048 0.000 0.988 177 S CB 1.393 64.617 63.200 0.039 0.000 1.006 177 S HN 0.842 nan 8.310 nan 0.000 0.558 178 Q N -0.376 119.260 119.800 -0.274 0.000 2.226 178 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 178 Q C 0.577 176.524 176.000 -0.088 0.000 0.975 178 Q CA 1.628 57.183 55.803 -0.414 0.000 0.866 178 Q CB -0.559 27.785 28.738 -0.655 0.000 0.915 178 Q HN 0.849 nan 8.270 nan 0.000 0.440 179 Y N -0.538 119.972 120.300 0.350 0.000 2.477 179 Y HA 0.124 4.674 4.550 -0.000 0.000 0.303 179 Y C 0.811 176.889 175.900 0.297 0.000 1.202 179 Y CA 0.343 58.749 58.100 0.510 0.000 1.282 179 Y CB 0.084 38.761 38.460 0.361 0.000 1.071 179 Y HN 0.171 nan 8.280 nan 0.000 0.510 180 Q N -0.793 119.160 119.800 0.255 0.000 2.127 180 Q HA 0.113 4.453 4.340 -0.000 0.000 0.222 180 Q C 0.317 176.390 176.000 0.122 0.000 0.794 180 Q CA -0.115 55.748 55.803 0.099 0.000 1.010 180 Q CB 0.883 29.646 28.738 0.042 0.000 1.170 180 Q HN 0.278 nan 8.270 nan 0.000 0.479 181 T N -1.148 113.517 114.554 0.186 0.000 2.889 181 T HA 0.463 4.813 4.350 -0.000 0.000 0.291 181 T C -2.534 172.393 174.700 0.379 0.000 0.995 181 T CA -1.998 60.183 62.100 0.135 0.000 1.092 181 T CB 1.233 70.037 68.868 -0.106 0.000 0.954 181 T HN -0.222 nan 8.240 nan 0.000 0.506 182 P HA 0.151 nan 4.420 nan 0.000 0.269 182 P C 1.122 178.820 177.300 0.663 0.000 1.217 182 P CA -0.482 62.932 63.100 0.523 0.000 0.783 182 P CB 0.438 32.469 31.700 0.552 0.000 0.898 183 L N 0.407 122.052 121.223 0.704 0.000 2.079 183 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 183 L C 2.194 179.396 176.870 0.553 0.000 1.081 183 L CA 1.480 56.673 54.840 0.589 0.000 0.752 183 L CB -0.672 41.657 42.059 0.451 0.000 0.896 183 L HN 0.372 nan 8.230 nan 0.000 0.433 184 F N 0.550 120.760 119.950 0.433 0.000 2.095 184 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 184 F C 2.287 178.151 175.800 0.106 0.000 1.104 184 F CA 1.575 59.632 58.000 0.095 0.000 1.232 184 F CB -0.402 38.419 39.000 -0.297 0.000 0.987 184 F HN -0.251 nan 8.300 nan 0.000 0.475 185 V N -0.926 119.056 119.914 0.113 0.000 2.332 185 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 185 V C 2.145 178.196 176.094 -0.072 0.000 1.055 185 V CA 2.133 64.389 62.300 -0.074 0.000 1.038 185 V CB -1.160 30.668 31.823 0.007 0.000 0.651 185 V HN 0.519 nan 8.190 nan 0.000 0.450 186 W N 0.666 121.960 121.300 -0.010 0.000 2.381 186 W HA -0.208 4.452 4.660 -0.000 0.000 0.301 186 W C 3.048 179.525 176.519 -0.071 0.000 1.205 186 W CA 1.855 59.190 57.345 -0.016 0.000 1.285 186 W CB -0.395 29.082 29.460 0.028 0.000 1.133 186 W HN 0.353 nan 8.180 nan 0.000 0.521 187 S N 0.044 115.845 115.700 0.168 0.000 2.368 187 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 187 S C 1.916 176.423 174.600 -0.156 0.000 1.030 187 S CA 1.611 59.832 58.200 0.035 0.000 0.999 187 S CB -1.114 62.117 63.200 0.052 0.000 0.844 187 S HN 0.205 nan 8.310 nan 0.000 0.459 188 V N 0.394 120.068 119.914 -0.400 0.000 2.871 188 V HA 0.156 4.276 4.120 -0.000 0.000 0.256 188 V C 2.148 178.073 176.094 -0.282 0.000 1.082 188 V CA 1.667 63.676 62.300 -0.484 0.000 1.105 188 V CB -0.589 30.726 31.823 -0.846 0.000 0.713 188 V HN 0.659 nan 8.190 nan 0.000 0.473 189 M N -0.158 119.355 119.600 -0.144 0.000 2.123 189 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 189 M C 2.033 178.347 176.300 0.024 0.000 1.069 189 M CA 2.262 57.528 55.300 -0.055 0.000 1.133 189 M CB -0.180 32.381 32.600 -0.065 0.000 1.356 189 M HN 0.386 nan 8.290 nan 0.000 0.415 190 I N -0.180 120.443 120.570 0.089 0.000 2.286 190 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 190 I C 2.123 178.281 176.117 0.069 0.000 1.115 190 I CA 1.488 62.858 61.300 0.117 0.000 1.392 190 I CB -0.679 37.411 38.000 0.150 0.000 1.065 190 I HN 0.345 nan 8.210 nan 0.000 0.418 191 T N 0.734 115.291 114.554 0.005 0.000 2.708 191 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 191 T C 2.085 176.781 174.700 -0.006 0.000 1.037 191 T CA 1.511 63.595 62.100 -0.027 0.000 1.146 191 T CB -0.336 68.466 68.868 -0.110 0.000 0.865 191 T HN 0.492 nan 8.240 nan 0.000 0.435 192 A N 0.889 123.696 122.820 -0.021 0.000 1.940 192 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 192 A C 2.576 180.209 177.584 0.082 0.000 1.176 192 A CA 1.377 53.435 52.037 0.035 0.000 0.631 192 A CB -0.997 18.039 19.000 0.059 0.000 0.814 192 A HN 0.368 nan 8.150 nan 0.000 0.446 193 V N -0.422 119.546 119.914 0.090 0.000 2.343 193 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 193 V C 2.493 178.688 176.094 0.168 0.000 1.051 193 V CA 1.854 64.224 62.300 0.116 0.000 1.036 193 V CB -0.749 31.144 31.823 0.118 0.000 0.654 193 V HN 0.482 nan 8.190 nan 0.000 0.451 194 L N -0.747 120.590 121.223 0.191 0.000 2.042 194 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 194 L C 2.235 179.225 176.870 0.200 0.000 1.076 194 L CA 1.807 56.803 54.840 0.261 0.000 0.749 194 L CB -0.821 41.308 42.059 0.118 0.000 0.893 194 L HN 0.234 nan 8.230 nan 0.000 0.432 195 L N -1.686 119.612 121.223 0.125 0.000 2.093 195 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 195 L C 2.436 179.399 176.870 0.156 0.000 1.085 195 L CA 0.670 55.587 54.840 0.129 0.000 0.755 195 L CB -0.471 41.647 42.059 0.098 0.000 0.904 195 L HN 0.248 nan 8.230 nan 0.000 0.435 196 L N -0.476 120.833 121.223 0.143 0.000 2.083 196 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 196 L C 2.148 179.101 176.870 0.137 0.000 1.083 196 L CA 1.734 56.649 54.840 0.124 0.000 0.752 196 L CB -0.147 41.973 42.059 0.103 0.000 0.899 196 L HN 0.142 nan 8.230 nan 0.000 0.433 197 L N -1.666 119.669 121.223 0.186 0.000 2.354 197 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 197 L C 2.408 179.472 176.870 0.324 0.000 1.091 197 L CA 0.910 55.874 54.840 0.206 0.000 0.828 197 L CB -0.467 41.661 42.059 0.115 0.000 0.973 197 L HN 0.421 nan 8.230 nan 0.000 0.461 198 S N -0.680 115.228 115.700 0.347 0.000 2.441 198 S HA -0.032 4.438 4.470 -0.000 0.000 0.224 198 S C 1.903 176.701 174.600 0.330 0.000 1.043 198 S CA -0.011 58.390 58.200 0.335 0.000 0.948 198 S CB -0.296 62.996 63.200 0.154 0.000 0.810 198 S HN 0.103 nan 8.310 nan 0.000 0.504 199 L N 2.942 124.326 121.223 0.269 0.000 2.079 199 L HA 0.111 4.451 4.340 -0.000 0.000 0.210 199 L C -0.941 175.946 176.870 0.029 0.000 1.081 199 L CA 1.349 56.265 54.840 0.126 0.000 0.752 199 L CB -1.912 40.218 42.059 0.118 0.000 0.896 199 L HN 0.255 nan 8.230 nan 0.000 0.433 200 P HA -0.077 nan 4.420 nan 0.000 0.218 200 P C 2.063 179.373 177.300 0.017 0.000 1.149 200 P CA 0.823 63.945 63.100 0.036 0.000 0.817 200 P CB 0.126 31.855 31.700 0.049 0.000 0.785 201 V N -0.334 119.617 119.914 0.063 0.000 2.358 201 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 201 V C 2.365 178.427 176.094 -0.053 0.000 1.047 201 V CA 1.421 63.741 62.300 0.033 0.000 1.035 201 V CB -1.261 30.660 31.823 0.165 0.000 0.658 201 V HN 0.059 nan 8.190 nan 0.000 0.452 202 L N 1.287 122.432 121.223 -0.130 0.000 1.989 202 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 202 L C 2.520 179.264 176.870 -0.209 0.000 1.071 202 L CA 2.500 57.135 54.840 -0.342 0.000 0.749 202 L CB -1.000 40.538 42.059 -0.868 0.000 0.890 202 L HN 0.209 nan 8.230 nan 0.000 0.431 203 A N -0.405 122.339 122.820 -0.127 0.000 1.948 203 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 203 A C 2.450 180.063 177.584 0.048 0.000 1.177 203 A CA 2.278 54.328 52.037 0.023 0.000 0.636 203 A CB -1.310 17.729 19.000 0.065 0.000 0.815 203 A HN 0.666 nan 8.150 nan 0.000 0.449 204 A N -0.623 122.186 122.820 -0.018 0.000 1.877 204 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 204 A C 2.473 180.029 177.584 -0.047 0.000 1.186 204 A CA 1.955 53.966 52.037 -0.043 0.000 0.620 204 A CB -1.485 17.473 19.000 -0.070 0.000 0.822 204 A HN 0.771 nan 8.150 nan 0.000 0.443 205 G N 0.893 109.662 108.800 -0.050 0.000 2.459 205 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 205 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 205 G C 1.501 176.467 174.900 0.111 0.000 1.183 205 G CA 1.368 46.466 45.100 -0.003 0.000 0.776 205 G HN 0.899 nan 8.290 nan 0.000 0.552 206 I N -1.682 118.908 120.570 0.034 0.000 3.001 206 I HA 0.060 4.230 4.170 -0.000 0.000 0.268 206 I C 2.161 178.290 176.117 0.021 0.000 1.267 206 I CA 1.380 62.698 61.300 0.030 0.000 1.472 206 I CB -0.434 37.475 38.000 -0.151 0.000 1.089 206 I HN -0.061 nan 8.210 nan 0.000 0.468 207 T N 1.271 115.871 114.554 0.076 0.000 2.896 207 T HA 0.078 4.428 4.350 -0.000 0.000 0.263 207 T C 1.903 176.629 174.700 0.042 0.000 1.050 207 T CA 1.372 63.535 62.100 0.106 0.000 1.140 207 T CB -0.100 68.830 68.868 0.105 0.000 0.877 207 T HN 0.319 nan 8.240 nan 0.000 0.457 208 M N 0.418 120.003 119.600 -0.025 0.000 2.175 208 M HA 0.015 4.495 4.480 -0.000 0.000 0.264 208 M C 2.223 178.642 176.300 0.199 0.000 1.063 208 M CA 1.143 56.347 55.300 -0.160 0.000 1.119 208 M CB -0.406 31.845 32.600 -0.580 0.000 1.377 208 M HN 0.172 nan 8.290 nan 0.000 0.415 209 L N 0.598 122.056 121.223 0.391 0.000 2.083 209 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 209 L C 2.148 179.105 176.870 0.144 0.000 1.083 209 L CA 1.570 56.620 54.840 0.350 0.000 0.752 209 L CB -0.644 41.527 42.059 0.186 0.000 0.899 209 L HN 0.212 nan 8.230 nan 0.000 0.433 210 L N -0.845 120.416 121.223 0.063 0.000 2.056 210 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 210 L C 2.553 179.456 176.870 0.055 0.000 1.078 210 L CA 2.368 57.206 54.840 -0.003 0.000 0.749 210 L CB -0.900 41.123 42.059 -0.059 0.000 0.901 210 L HN 0.589 nan 8.230 nan 0.000 0.433 211 T N -4.483 110.133 114.554 0.104 0.000 2.821 211 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 211 T C 1.646 176.412 174.700 0.111 0.000 1.046 211 T CA 1.171 63.345 62.100 0.123 0.000 1.139 211 T CB -0.637 68.342 68.868 0.185 0.000 0.871 211 T HN 0.257 nan 8.240 nan 0.000 0.454 212 D N 1.647 122.132 120.400 0.141 0.000 2.144 212 D HA -0.029 4.611 4.640 -0.000 0.000 0.199 212 D C 2.435 178.779 176.300 0.073 0.000 0.984 212 D CA 0.940 55.002 54.000 0.105 0.000 0.834 212 D CB -0.171 40.725 40.800 0.161 0.000 0.955 212 D HN 0.515 nan 8.370 nan 0.000 0.465 213 R N -0.213 120.328 120.500 0.069 0.000 2.193 213 R HA 0.155 4.495 4.340 -0.000 0.000 0.213 213 R C 1.074 177.398 176.300 0.042 0.000 1.055 213 R CA 0.681 56.810 56.100 0.047 0.000 0.995 213 R CB 0.135 30.452 30.300 0.029 0.000 0.893 213 R HN 0.173 nan 8.270 nan 0.000 0.459 214 N N -0.809 117.919 118.700 0.046 0.000 2.129 214 N HA 0.058 4.798 4.740 -0.000 0.000 0.222 214 N C 0.092 175.629 175.510 0.045 0.000 1.303 214 N CA 0.134 53.212 53.050 0.047 0.000 0.897 214 N CB 0.975 39.496 38.487 0.057 0.000 1.093 214 N HN 0.020 nan 8.380 nan 0.000 0.501 215 L N 1.299 122.549 121.223 0.045 0.000 2.959 215 L HA 0.338 4.678 4.340 -0.000 0.000 0.259 215 L C 0.083 176.961 176.870 0.013 0.000 1.185 215 L CA 0.157 55.019 54.840 0.035 0.000 0.998 215 L CB -0.502 41.587 42.059 0.050 0.000 1.337 215 L HN -0.007 nan 8.230 nan 0.000 0.555 216 N N -0.014 118.691 118.700 0.008 0.000 2.754 216 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 216 N C 0.394 175.871 175.510 -0.054 0.000 1.093 216 N CA 1.216 54.257 53.050 -0.015 0.000 0.699 216 N CB -1.475 37.003 38.487 -0.016 0.000 1.016 216 N HN 0.532 nan 8.380 nan 0.000 0.552 217 T N -2.816 111.699 114.554 -0.066 0.000 2.862 217 T HA 0.627 4.977 4.350 -0.000 0.000 0.276 217 T C 1.068 175.641 174.700 -0.211 0.000 0.974 217 T CA -0.018 61.964 62.100 -0.196 0.000 0.966 217 T CB 1.882 70.621 68.868 -0.214 0.000 1.072 217 T HN 0.233 nan 8.240 nan 0.000 0.538 218 T N -1.394 112.937 114.554 -0.372 0.000 3.866 218 T HA 0.339 4.689 4.350 -0.000 0.000 0.241 218 T C 0.279 174.789 174.700 -0.317 0.000 1.017 218 T CA -0.654 61.302 62.100 -0.239 0.000 1.300 218 T CB -0.879 67.896 68.868 -0.154 0.000 0.968 218 T HN 0.393 nan 8.240 nan 0.000 0.595 219 F N 0.670 120.405 119.950 -0.359 0.000 2.186 219 F HA 0.200 4.727 4.527 -0.000 0.000 0.299 219 F C 1.272 176.770 175.800 -0.502 0.000 1.090 219 F CA 0.878 58.520 58.000 -0.596 0.000 1.307 219 F CB -0.294 37.993 39.000 -1.188 0.000 1.019 219 F HN 0.398 nan 8.300 nan 0.000 0.489 220 F N -1.663 118.415 119.950 0.212 0.000 2.682 220 F HA 0.218 4.745 4.527 -0.000 0.000 0.308 220 F C 0.243 176.080 175.800 0.061 0.000 1.093 220 F CA -0.875 57.201 58.000 0.127 0.000 1.244 220 F CB -0.300 38.768 39.000 0.112 0.000 1.052 220 F HN -0.282 nan 8.300 nan 0.000 0.573 221 D N 1.766 122.253 120.400 0.144 0.000 2.373 221 D HA 0.239 4.879 4.640 -0.000 0.000 0.227 221 D C -1.960 174.370 176.300 0.049 0.000 1.091 221 D CA -2.443 51.607 54.000 0.083 0.000 0.840 221 D CB 1.996 42.821 40.800 0.042 0.000 1.060 221 D HN -0.085 nan 8.370 nan 0.000 0.502 222 P HA -0.118 nan 4.420 nan 0.000 0.219 222 P C 1.026 178.339 177.300 0.021 0.000 1.146 222 P CA 1.089 64.214 63.100 0.042 0.000 0.808 222 P CB 0.239 31.966 31.700 0.045 0.000 0.779 223 A N -0.126 122.704 122.820 0.016 0.000 1.948 223 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 223 A C 2.256 179.834 177.584 -0.009 0.000 1.177 223 A CA 2.100 54.140 52.037 0.005 0.000 0.636 223 A CB -1.676 17.327 19.000 0.005 0.000 0.815 223 A HN 0.338 nan 8.150 nan 0.000 0.449 224 G N -2.987 105.800 108.800 -0.022 0.000 3.233 224 G HA2 0.413 4.373 3.960 -0.000 0.000 0.234 224 G HA3 0.413 4.373 3.960 -0.000 0.000 0.234 224 G C 1.009 175.881 174.900 -0.047 0.000 1.137 224 G CA 0.546 45.618 45.100 -0.047 0.000 0.763 224 G HN 1.643 nan 8.290 nan 0.000 0.549 225 G N -1.040 107.749 108.800 -0.020 0.000 2.176 225 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.232 225 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.232 225 G C 0.851 175.754 174.900 0.005 0.000 0.986 225 G CA 0.180 45.275 45.100 -0.008 0.000 0.643 225 G HN 0.974 nan 8.290 nan 0.000 0.522 226 G N -0.751 108.050 108.800 0.002 0.000 2.570 226 G HA2 0.466 4.426 3.960 -0.000 0.000 0.276 226 G HA3 0.466 4.426 3.960 -0.000 0.000 0.276 226 G C -0.558 174.408 174.900 0.112 0.000 1.346 226 G CA 0.699 45.823 45.100 0.040 0.000 1.034 226 G HN 0.578 nan 8.290 nan 0.000 0.512 227 D N -1.617 118.906 120.400 0.206 0.000 2.738 227 D HA 0.298 4.938 4.640 -0.000 0.000 0.218 227 D C -2.140 174.335 176.300 0.291 0.000 1.345 227 D CA -1.481 52.644 54.000 0.208 0.000 0.943 227 D CB 1.999 42.910 40.800 0.184 0.000 1.514 227 D HN -0.057 nan 8.370 nan 0.000 0.585 228 P HA -0.048 nan 4.420 nan 0.000 0.221 228 P C 1.585 178.867 177.300 -0.030 0.000 1.145 228 P CA 0.423 63.566 63.100 0.071 0.000 0.795 228 P CB 0.355 32.058 31.700 0.006 0.000 0.775 229 I N -1.361 119.221 120.570 0.020 0.000 2.439 229 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 229 I C 2.096 178.232 176.117 0.031 0.000 1.139 229 I CA 0.949 62.224 61.300 -0.041 0.000 1.438 229 I CB -1.469 36.532 38.000 0.002 0.000 1.085 229 I HN 0.015 nan 8.210 nan 0.000 0.427 230 L N 0.681 122.027 121.223 0.206 0.000 2.042 230 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 230 L C 2.607 179.592 176.870 0.192 0.000 1.076 230 L CA 1.871 56.902 54.840 0.319 0.000 0.749 230 L CB -1.144 41.198 42.059 0.471 0.000 0.893 230 L HN 0.244 nan 8.230 nan 0.000 0.432 231 Y N 0.183 120.346 120.300 -0.229 0.000 2.128 231 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 231 Y C 2.587 178.333 175.900 -0.256 0.000 1.154 231 Y CA 2.258 59.998 58.100 -0.599 0.000 1.149 231 Y CB -0.267 37.509 38.460 -1.141 0.000 0.976 231 Y HN 0.380 nan 8.280 nan 0.000 0.505 232 Q N -1.097 118.609 119.800 -0.156 0.000 2.096 232 Q HA -0.251 4.089 4.340 -0.000 0.000 0.204 232 Q C 2.067 178.134 176.000 0.111 0.000 0.982 232 Q CA 1.571 57.319 55.803 -0.091 0.000 0.850 232 Q CB -0.326 28.278 28.738 -0.223 0.000 0.901 232 Q HN 0.611 nan 8.270 nan 0.000 0.422 233 H N 0.469 119.622 119.070 0.137 0.000 2.321 233 H HA -0.073 4.483 4.556 -0.000 0.000 0.300 233 H C 2.207 177.536 175.328 0.002 0.000 1.087 233 H CA 1.200 57.373 56.048 0.208 0.000 1.319 233 H CB -0.210 29.680 29.762 0.213 0.000 1.379 233 H HN 0.209 nan 8.280 nan 0.000 0.501 234 L N -0.652 120.587 121.223 0.027 0.000 2.046 234 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 234 L C 2.535 179.326 176.870 -0.131 0.000 1.077 234 L CA 1.127 55.909 54.840 -0.098 0.000 0.747 234 L CB -0.603 41.370 42.059 -0.144 0.000 0.896 234 L HN 0.098 nan 8.230 nan 0.000 0.432 235 F N -0.079 119.594 119.950 -0.460 0.000 2.075 235 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 235 F C 2.016 177.642 175.800 -0.290 0.000 1.113 235 F CA 1.538 59.226 58.000 -0.520 0.000 1.218 235 F CB -0.387 38.090 39.000 -0.871 0.000 0.984 235 F HN -0.039 nan 8.300 nan 0.000 0.472 236 W N -1.223 120.134 121.300 0.095 0.000 2.595 236 W HA -0.090 4.570 4.660 -0.000 0.000 0.257 236 W C 2.098 178.572 176.519 -0.074 0.000 1.267 236 W CA 0.300 57.645 57.345 0.001 0.000 1.300 236 W CB -0.550 29.025 29.460 0.192 0.000 1.120 236 W HN 0.088 nan 8.180 nan 0.000 0.618 237 F N -0.133 119.738 119.950 -0.132 0.000 2.293 237 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 237 F C 2.081 177.787 175.800 -0.157 0.000 1.086 237 F CA 1.399 59.194 58.000 -0.343 0.000 1.375 237 F CB -0.504 38.171 39.000 -0.542 0.000 1.045 237 F HN -0.025 nan 8.300 nan 0.000 0.516 238 F N 0.156 119.957 119.950 -0.248 0.000 2.220 238 F HA 0.230 4.757 4.527 -0.000 0.000 0.290 238 F C 2.277 177.850 175.800 -0.378 0.000 1.080 238 F CA 1.350 59.157 58.000 -0.322 0.000 1.318 238 F CB -1.196 37.581 39.000 -0.373 0.000 1.063 238 F HN -0.124 nan 8.300 nan 0.000 0.498 239 G N -0.569 107.711 108.800 -0.867 0.000 2.469 239 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.220 239 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.220 239 G C 1.475 176.151 174.900 -0.373 0.000 1.136 239 G CA 1.442 46.067 45.100 -0.791 0.000 0.759 239 G HN 0.566 nan 8.290 nan 0.000 0.562 240 H N 1.564 120.554 119.070 -0.132 0.000 2.307 240 H HA 0.033 4.589 4.556 -0.000 0.000 0.303 240 H C 0.278 175.529 175.328 -0.129 0.000 1.073 240 H CA 1.395 57.445 56.048 0.003 0.000 1.338 240 H CB -0.638 29.211 29.762 0.146 0.000 1.389 240 H HN 0.244 nan 8.280 nan 0.000 0.503 241 P HA -0.197 nan 4.420 nan 0.000 0.216 241 P C 1.289 178.316 177.300 -0.454 0.000 1.157 241 P CA 2.192 64.994 63.100 -0.496 0.000 0.880 241 P CB -0.013 31.189 31.700 -0.830 0.000 0.791 242 E N -0.133 119.659 120.200 -0.680 0.000 2.130 242 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 242 E C 1.683 177.994 176.600 -0.481 0.000 0.998 242 E CA 1.666 57.686 56.400 -0.633 0.000 0.806 242 E CB -1.138 27.988 29.700 -0.957 0.000 0.738 242 E HN 0.145 nan 8.360 nan 0.000 0.459 243 V N -1.433 118.158 119.914 -0.539 0.000 2.667 243 V HA -0.154 3.966 4.120 -0.000 0.000 0.252 243 V C 1.824 177.557 176.094 -0.600 0.000 1.065 243 V CA 1.560 63.523 62.300 -0.561 0.000 1.083 243 V CB -1.004 30.464 31.823 -0.591 0.000 0.692 243 V HN 0.234 nan 8.190 nan 0.000 0.468 244 Y N 0.294 120.399 120.300 -0.325 0.000 2.395 244 Y HA 0.246 4.796 4.550 -0.000 0.000 0.293 244 Y C 2.334 178.102 175.900 -0.220 0.000 1.123 244 Y CA 1.309 59.286 58.100 -0.204 0.000 1.227 244 Y CB -0.315 38.084 38.460 -0.102 0.000 1.012 244 Y HN 0.184 nan 8.280 nan 0.000 0.552 245 I N -0.467 120.019 120.570 -0.141 0.000 2.493 245 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 245 I C 1.588 177.594 176.117 -0.186 0.000 1.160 245 I CA 1.234 62.446 61.300 -0.145 0.000 1.445 245 I CB -0.205 37.695 38.000 -0.166 0.000 1.086 245 I HN 0.228 nan 8.210 nan 0.000 0.433 246 L N -0.517 120.559 121.223 -0.245 0.000 2.418 246 L HA -0.047 4.293 4.340 -0.000 0.000 0.218 246 L C 2.065 178.807 176.870 -0.214 0.000 1.125 246 L CA 0.527 55.225 54.840 -0.236 0.000 0.835 246 L CB 0.102 41.986 42.059 -0.292 0.000 0.953 246 L HN 0.220 nan 8.230 nan 0.000 0.454 247 I N -1.321 119.087 120.570 -0.271 0.000 4.139 247 I HA -0.003 4.167 4.170 -0.000 0.000 0.320 247 I C 1.894 177.695 176.117 -0.526 0.000 1.290 247 I CA 0.687 61.767 61.300 -0.367 0.000 1.253 247 I CB 0.315 38.036 38.000 -0.465 0.000 1.122 247 I HN 0.002 nan 8.210 nan 0.000 0.421 248 L N 1.367 122.372 121.223 -0.364 0.000 2.012 248 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 248 L C -0.430 176.418 176.870 -0.037 0.000 1.073 248 L CA 1.704 56.431 54.840 -0.190 0.000 0.748 248 L CB -1.892 40.150 42.059 -0.029 0.000 0.891 248 L HN 0.174 nan 8.230 nan 0.000 0.431 249 P HA -0.141 nan 4.420 nan 0.000 0.218 249 P C 1.475 178.850 177.300 0.126 0.000 1.148 249 P CA 1.685 64.796 63.100 0.018 0.000 0.822 249 P CB -0.164 31.535 31.700 -0.002 0.000 0.784 250 G N -1.598 107.215 108.800 0.022 0.000 2.421 250 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 250 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 250 G C 1.181 176.108 174.900 0.044 0.000 1.143 250 G CA 0.214 45.313 45.100 -0.002 0.000 0.784 250 G HN 0.103 nan 8.290 nan 0.000 0.541 251 F N 2.000 121.980 119.950 0.049 0.000 2.134 251 F HA 0.039 4.566 4.527 -0.000 0.000 0.299 251 F C 2.821 178.759 175.800 0.230 0.000 1.097 251 F CA 0.432 58.547 58.000 0.192 0.000 1.264 251 F CB -1.105 38.060 39.000 0.274 0.000 1.001 251 F HN 0.181 nan 8.300 nan 0.000 0.479 252 G N -0.241 108.821 108.800 0.437 0.000 2.459 252 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 252 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 252 G C 1.798 176.951 174.900 0.421 0.000 1.183 252 G CA 1.025 46.403 45.100 0.463 0.000 0.776 252 G HN 0.247 nan 8.290 nan 0.000 0.552 253 M N 0.106 119.868 119.600 0.271 0.000 2.080 253 M HA -0.030 4.450 4.480 -0.000 0.000 0.260 253 M C 2.479 178.786 176.300 0.013 0.000 1.068 253 M CA 1.097 56.452 55.300 0.091 0.000 1.109 253 M CB -0.306 32.258 32.600 -0.060 0.000 1.342 253 M HN 0.117 nan 8.290 nan 0.000 0.405 254 I N -0.340 120.118 120.570 -0.186 0.000 2.335 254 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 254 I C 2.372 178.309 176.117 -0.301 0.000 1.129 254 I CA 1.423 62.441 61.300 -0.469 0.000 1.402 254 I CB -1.362 35.960 38.000 -1.129 0.000 1.069 254 I HN 0.243 nan 8.210 nan 0.000 0.424 255 S N -0.682 115.058 115.700 0.067 0.000 2.383 255 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 255 S C 1.888 176.644 174.600 0.260 0.000 1.026 255 S CA 0.832 59.223 58.200 0.318 0.000 0.981 255 S CB -0.352 63.178 63.200 0.550 0.000 0.818 255 S HN 0.514 nan 8.310 nan 0.000 0.472 256 H N 0.377 119.544 119.070 0.162 0.000 2.363 256 H HA 0.080 4.636 4.556 -0.000 0.000 0.301 256 H C 2.080 177.401 175.328 -0.011 0.000 1.074 256 H CA 1.284 57.428 56.048 0.161 0.000 1.354 256 H CB -0.079 29.857 29.762 0.290 0.000 1.397 256 H HN 0.343 nan 8.280 nan 0.000 0.516 257 I N 0.155 120.716 120.570 -0.014 0.000 2.202 257 I HA -0.212 3.958 4.170 -0.000 0.000 0.242 257 I C 2.508 178.639 176.117 0.024 0.000 1.091 257 I CA 0.621 61.834 61.300 -0.144 0.000 1.368 257 I CB -0.132 37.738 38.000 -0.218 0.000 1.058 257 I HN 0.005 nan 8.210 nan 0.000 0.410 258 V N 0.518 120.412 119.914 -0.033 0.000 2.407 258 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 258 V C 2.509 178.634 176.094 0.053 0.000 1.055 258 V CA 2.371 64.665 62.300 -0.010 0.000 1.049 258 V CB -0.758 31.025 31.823 -0.067 0.000 0.662 258 V HN 0.467 nan 8.190 nan 0.000 0.455 259 T N -1.212 113.389 114.554 0.078 0.000 2.708 259 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 259 T C 1.713 176.428 174.700 0.025 0.000 1.037 259 T CA 2.049 64.194 62.100 0.075 0.000 1.146 259 T CB -0.337 68.583 68.868 0.086 0.000 0.865 259 T HN 0.553 nan 8.240 nan 0.000 0.435 260 Y N 0.769 120.975 120.300 -0.157 0.000 2.089 260 Y HA -0.196 4.354 4.550 -0.000 0.000 0.282 260 Y C 1.787 177.442 175.900 -0.409 0.000 1.139 260 Y CA 1.375 59.277 58.100 -0.331 0.000 1.123 260 Y CB -0.421 37.711 38.460 -0.546 0.000 0.980 260 Y HN 0.255 nan 8.280 nan 0.000 0.493 261 Y N -0.814 119.497 120.300 0.018 0.000 2.632 261 Y HA -0.030 4.520 4.550 -0.000 0.000 0.301 261 Y C 2.104 177.907 175.900 -0.162 0.000 1.172 261 Y CA 0.909 58.952 58.100 -0.094 0.000 1.328 261 Y CB -0.187 38.207 38.460 -0.110 0.000 1.016 261 Y HN 0.049 nan 8.280 nan 0.000 0.529 262 S N -1.318 114.350 115.700 -0.053 0.000 2.524 262 S HA 0.235 4.705 4.470 -0.000 0.000 0.215 262 S C 1.592 176.132 174.600 -0.099 0.000 0.986 262 S CA 0.485 58.644 58.200 -0.068 0.000 0.911 262 S CB 0.260 63.444 63.200 -0.027 0.000 0.805 262 S HN 0.594 nan 8.310 nan 0.000 0.501 263 G N 2.589 111.287 108.800 -0.170 0.000 2.225 263 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 263 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 263 G C -0.217 174.606 174.900 -0.128 0.000 1.060 263 G CA -0.021 44.961 45.100 -0.197 0.000 0.833 263 G HN 0.286 nan 8.290 nan 0.000 0.498 264 K N -0.589 119.758 120.400 -0.090 0.000 2.123 264 K HA 0.507 4.827 4.320 -0.000 0.000 0.248 264 K C 0.942 177.524 176.600 -0.029 0.000 0.969 264 K CA -0.933 55.334 56.287 -0.032 0.000 0.882 264 K CB 1.218 33.733 32.500 0.023 0.000 1.080 264 K HN -0.047 nan 8.250 nan 0.000 0.441 265 K N 0.967 121.364 120.400 -0.006 0.000 2.186 265 K HA -0.024 4.296 4.320 -0.000 0.000 0.202 265 K C 0.532 177.149 176.600 0.028 0.000 1.052 265 K CA 1.040 57.328 56.287 0.003 0.000 0.965 265 K CB 0.329 32.831 32.500 0.003 0.000 0.746 265 K HN 0.801 nan 8.250 nan 0.000 0.457 266 E N 0.356 120.583 120.200 0.044 0.000 2.430 266 E HA 0.370 4.720 4.350 -0.000 0.000 0.279 266 E C -2.921 173.752 176.600 0.122 0.000 1.003 266 E CA -2.096 54.348 56.400 0.073 0.000 0.801 266 E CB 2.077 31.807 29.700 0.050 0.000 1.313 266 E HN -0.260 nan 8.360 nan 0.000 0.459 267 P HA 0.093 nan 4.420 nan 0.000 0.274 267 P C -0.734 176.714 177.300 0.247 0.000 1.231 267 P CA -0.395 62.847 63.100 0.237 0.000 0.790 267 P CB 0.471 32.334 31.700 0.271 0.000 0.951 268 F N 1.640 121.674 119.950 0.140 0.000 2.529 268 F HA 0.365 4.891 4.527 -0.000 0.000 0.365 268 F C 1.385 177.243 175.800 0.097 0.000 1.102 268 F CA 1.264 59.331 58.000 0.112 0.000 1.271 268 F CB -0.147 38.918 39.000 0.108 0.000 1.120 268 F HN 0.706 nan 8.300 nan 0.000 0.579 269 G N 5.717 114.150 108.800 -0.612 0.000 2.338 269 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.296 269 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.296 269 G C 0.530 175.406 174.900 -0.040 0.000 1.040 269 G CA 0.649 45.548 45.100 -0.335 0.000 1.004 269 G HN 1.085 nan 8.290 nan 0.000 0.509 270 Y N 0.005 120.250 120.300 -0.091 0.000 2.096 270 Y HA -0.297 4.253 4.550 -0.000 0.000 0.278 270 Y C 2.575 178.455 175.900 -0.033 0.000 1.192 270 Y CA 2.779 60.871 58.100 -0.012 0.000 1.143 270 Y CB -0.067 38.405 38.460 0.021 0.000 0.963 270 Y HN 0.404 nan 8.280 nan 0.000 0.505 271 M N -0.518 119.106 119.600 0.040 0.000 2.349 271 M HA -0.001 4.479 4.480 -0.000 0.000 0.266 271 M C 2.393 178.635 176.300 -0.098 0.000 1.076 271 M CA 1.232 56.485 55.300 -0.079 0.000 1.126 271 M CB -1.654 30.940 32.600 -0.011 0.000 1.392 271 M HN 0.477 nan 8.290 nan 0.000 0.440 272 G N -0.304 108.458 108.800 -0.064 0.000 2.422 272 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 272 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 272 G C 1.527 176.472 174.900 0.075 0.000 1.140 272 G CA 0.481 45.589 45.100 0.013 0.000 0.775 272 G HN 0.280 nan 8.290 nan 0.000 0.545 273 M N 0.153 119.709 119.600 -0.073 0.000 2.200 273 M HA 0.118 4.598 4.480 -0.000 0.000 0.265 273 M C 2.512 178.673 176.300 -0.231 0.000 1.066 273 M CA 0.808 56.022 55.300 -0.144 0.000 1.127 273 M CB -0.104 32.404 32.600 -0.153 0.000 1.379 273 M HN 0.042 nan 8.290 nan 0.000 0.420 274 V N -1.420 118.257 119.914 -0.397 0.000 2.307 274 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 274 V C 1.950 177.850 176.094 -0.324 0.000 1.045 274 V CA 1.906 63.840 62.300 -0.610 0.000 1.024 274 V CB -0.992 30.262 31.823 -0.949 0.000 0.651 274 V HN 0.770 nan 8.190 nan 0.000 0.449 275 W N 1.345 122.452 121.300 -0.321 0.000 2.318 275 W HA -0.299 4.361 4.660 -0.000 0.000 0.313 275 W C 2.434 178.870 176.519 -0.138 0.000 1.221 275 W CA 2.565 59.791 57.345 -0.198 0.000 1.266 275 W CB -0.504 28.865 29.460 -0.152 0.000 1.150 275 W HN 0.200 nan 8.180 nan 0.000 0.496 276 A N 0.386 123.123 122.820 -0.138 0.000 1.883 276 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 276 A C 2.045 179.439 177.584 -0.317 0.000 1.186 276 A CA 2.417 54.227 52.037 -0.378 0.000 0.624 276 A CB -0.956 17.972 19.000 -0.120 0.000 0.822 276 A HN 0.459 nan 8.150 nan 0.000 0.444 277 M N -1.184 118.305 119.600 -0.185 0.000 2.175 277 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 277 M C 2.355 178.601 176.300 -0.090 0.000 1.063 277 M CA 1.338 56.602 55.300 -0.059 0.000 1.119 277 M CB -0.436 32.172 32.600 0.014 0.000 1.377 277 M HN 0.412 nan 8.290 nan 0.000 0.415 278 M N -0.658 118.836 119.600 -0.176 0.000 2.099 278 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 278 M C 2.324 178.545 176.300 -0.132 0.000 1.067 278 M CA 1.442 56.674 55.300 -0.114 0.000 1.124 278 M CB -0.691 31.826 32.600 -0.139 0.000 1.353 278 M HN 0.204 nan 8.290 nan 0.000 0.410 279 S N 1.150 116.633 115.700 -0.362 0.000 2.359 279 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 279 S C 1.877 176.390 174.600 -0.144 0.000 1.035 279 S CA 1.258 59.255 58.200 -0.337 0.000 1.018 279 S CB -0.421 62.299 63.200 -0.800 0.000 0.876 279 S HN 0.359 nan 8.310 nan 0.000 0.448 280 I N 1.323 121.784 120.570 -0.183 0.000 2.163 280 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 280 I C 2.689 178.709 176.117 -0.162 0.000 1.085 280 I CA 1.254 62.457 61.300 -0.162 0.000 1.347 280 I CB -0.916 37.062 38.000 -0.038 0.000 1.044 280 I HN 0.388 nan 8.210 nan 0.000 0.408 281 G N 0.585 109.367 108.800 -0.029 0.000 2.440 281 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 281 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 281 G C 1.567 176.568 174.900 0.168 0.000 1.154 281 G CA 0.673 45.811 45.100 0.063 0.000 0.767 281 G HN 0.342 nan 8.290 nan 0.000 0.552 282 F N 1.233 121.200 119.950 0.029 0.000 2.060 282 F HA 0.080 4.607 4.527 -0.000 0.000 0.295 282 F C 2.469 178.325 175.800 0.093 0.000 1.120 282 F CA 1.209 59.257 58.000 0.081 0.000 1.205 282 F CB -0.441 38.560 39.000 0.002 0.000 0.986 282 F HN 0.023 nan 8.300 nan 0.000 0.470 283 L N 0.303 121.443 121.223 -0.138 0.000 2.187 283 L HA -0.159 4.181 4.340 -0.000 0.000 0.213 283 L C 2.543 179.257 176.870 -0.259 0.000 1.100 283 L CA 1.110 55.803 54.840 -0.244 0.000 0.765 283 L CB -1.465 40.535 42.059 -0.098 0.000 0.904 283 L HN 0.416 nan 8.230 nan 0.000 0.437 284 G N -1.278 107.361 108.800 -0.268 0.000 2.708 284 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.210 284 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.210 284 G C 1.080 175.858 174.900 -0.203 0.000 1.141 284 G CA 0.112 45.050 45.100 -0.270 0.000 0.788 284 G HN 0.293 nan 8.290 nan 0.000 0.531 285 F N -0.121 119.710 119.950 -0.198 0.000 2.678 285 F HA 0.329 4.856 4.527 -0.000 0.000 0.305 285 F C 1.604 177.401 175.800 -0.006 0.000 1.090 285 F CA -0.370 57.506 58.000 -0.207 0.000 1.272 285 F CB 0.591 39.438 39.000 -0.256 0.000 1.060 285 F HN 0.202 nan 8.300 nan 0.000 0.576 286 I N -1.782 118.881 120.570 0.156 0.000 3.569 286 I HA 0.282 4.452 4.170 -0.000 0.000 0.334 286 I C 0.203 176.434 176.117 0.191 0.000 1.570 286 I CA -0.069 61.411 61.300 0.301 0.000 1.082 286 I CB 0.260 38.317 38.000 0.094 0.000 1.323 286 I HN -0.107 nan 8.210 nan 0.000 0.489 287 V N -3.380 116.645 119.914 0.185 0.000 3.382 287 V HA 0.209 4.329 4.120 -0.000 0.000 0.296 287 V C 1.668 177.613 176.094 -0.249 0.000 1.529 287 V CA -0.095 62.206 62.300 0.002 0.000 1.048 287 V CB -0.918 30.755 31.823 -0.250 0.000 0.878 287 V HN 0.714 nan 8.190 nan 0.000 0.442 288 W N 2.511 123.777 121.300 -0.057 0.000 2.292 288 W HA -0.159 4.501 4.660 -0.000 0.000 0.304 288 W C 1.863 178.158 176.519 -0.374 0.000 1.228 288 W CA 2.272 59.536 57.345 -0.135 0.000 1.241 288 W CB -1.066 28.474 29.460 0.133 0.000 1.142 288 W HN 0.257 nan 8.180 nan 0.000 0.520 289 A N 1.700 123.658 122.820 -1.437 0.000 2.259 289 A HA -0.191 4.129 4.320 -0.000 0.000 0.212 289 A C 1.761 178.622 177.584 -1.206 0.000 1.178 289 A CA 1.260 52.464 52.037 -1.388 0.000 0.734 289 A CB -1.899 15.827 19.000 -2.124 0.000 0.774 289 A HN 0.821 nan 8.150 nan 0.000 0.481 290 H N -3.260 115.188 119.070 -1.038 0.000 2.563 290 H HA 0.038 4.594 4.556 -0.000 0.000 0.272 290 H C 0.691 175.159 175.328 -1.433 0.000 1.005 290 H CA 0.780 55.872 56.048 -1.594 0.000 1.171 290 H CB -0.294 29.001 29.762 -0.778 0.000 1.351 290 H HN 0.678 nan 8.280 nan 0.000 0.602 291 H N 0.427 119.056 119.070 -0.735 0.000 2.520 291 H HA 0.251 4.807 4.556 -0.000 0.000 0.284 291 H C 0.348 175.317 175.328 -0.599 0.000 1.037 291 H CA 0.132 55.734 56.048 -0.743 0.000 1.168 291 H CB 0.582 29.438 29.762 -1.510 0.000 1.497 291 H HN 0.457 nan 8.280 nan 0.000 0.547 292 M N -0.212 119.052 119.600 -0.560 0.000 3.262 292 M HA 0.106 4.586 4.480 -0.000 0.000 0.450 292 M C -0.080 176.076 176.300 -0.241 0.000 1.524 292 M CA -0.160 54.938 55.300 -0.336 0.000 0.770 292 M CB 0.548 32.995 32.600 -0.255 0.000 1.459 292 M HN -0.071 nan 8.290 nan 0.000 0.517 293 F N 0.655 120.426 119.950 -0.299 0.000 2.604 293 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 293 F C 2.381 178.066 175.800 -0.191 0.000 1.131 293 F CA 1.147 59.015 58.000 -0.220 0.000 1.457 293 F CB -0.505 38.381 39.000 -0.190 0.000 1.095 293 F HN 0.259 nan 8.300 nan 0.000 0.574 294 T N -4.857 109.643 114.554 -0.090 0.000 3.174 294 T HA 0.207 4.557 4.350 -0.000 0.000 0.269 294 T C 1.444 176.133 174.700 -0.019 0.000 1.017 294 T CA 0.263 62.334 62.100 -0.049 0.000 0.899 294 T CB -0.266 68.568 68.868 -0.056 0.000 1.077 294 T HN -0.019 nan 8.240 nan 0.000 0.552 295 V N 1.036 120.933 119.914 -0.029 0.000 3.235 295 V HA 0.422 4.542 4.120 -0.000 0.000 0.259 295 V C 1.758 177.860 176.094 0.014 0.000 1.133 295 V CA 1.241 63.533 62.300 -0.013 0.000 1.128 295 V CB -0.170 31.621 31.823 -0.054 0.000 0.757 295 V HN 0.900 nan 8.190 nan 0.000 0.469 296 G N 0.330 109.146 108.800 0.027 0.000 2.226 296 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.176 296 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.176 296 G C -0.137 174.796 174.900 0.055 0.000 1.042 296 G CA -0.025 45.098 45.100 0.039 0.000 0.732 296 G HN 0.339 nan 8.290 nan 0.000 0.494 297 M N 0.589 120.230 119.600 0.068 0.000 2.359 297 M HA 0.332 4.812 4.480 -0.000 0.000 0.322 297 M C 0.231 176.583 176.300 0.085 0.000 1.166 297 M CA -0.792 54.565 55.300 0.095 0.000 1.067 297 M CB 0.404 33.077 32.600 0.122 0.000 1.523 297 M HN 0.078 nan 8.290 nan 0.000 0.467 298 D N 1.081 121.536 120.400 0.092 0.000 2.478 298 D HA -0.065 4.575 4.640 -0.000 0.000 0.234 298 D C 0.906 177.249 176.300 0.073 0.000 1.154 298 D CA 0.080 54.124 54.000 0.074 0.000 0.874 298 D CB 0.966 41.812 40.800 0.077 0.000 1.198 298 D HN 0.375 nan 8.370 nan 0.000 0.455 299 V N 2.041 121.982 119.914 0.046 0.000 2.407 299 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 299 V C 1.422 177.544 176.094 0.045 0.000 1.055 299 V CA 1.830 64.147 62.300 0.029 0.000 1.049 299 V CB -0.111 31.718 31.823 0.009 0.000 0.662 299 V HN 0.425 nan 8.190 nan 0.000 0.455 300 D N -0.161 120.272 120.400 0.056 0.000 2.117 300 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 300 D C 2.247 178.619 176.300 0.120 0.000 0.987 300 D CA 2.081 56.121 54.000 0.067 0.000 0.829 300 D CB -0.412 40.419 40.800 0.051 0.000 0.961 300 D HN 0.655 nan 8.370 nan 0.000 0.460 301 T N -0.735 113.912 114.554 0.155 0.000 2.951 301 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 301 T C 1.971 176.908 174.700 0.396 0.000 1.073 301 T CA 0.701 62.965 62.100 0.273 0.000 1.134 301 T CB 0.105 69.144 68.868 0.284 0.000 0.884 301 T HN -0.031 nan 8.240 nan 0.000 0.479 302 R N 0.412 121.059 120.500 0.246 0.000 2.115 302 R HA 0.303 4.643 4.340 -0.000 0.000 0.226 302 R C 2.850 179.205 176.300 0.091 0.000 1.100 302 R CA 1.130 57.350 56.100 0.201 0.000 0.980 302 R CB -0.457 29.847 30.300 0.006 0.000 0.875 302 R HN 0.534 nan 8.270 nan 0.000 0.445 303 A N -0.058 122.801 122.820 0.065 0.000 1.929 303 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 303 A C 1.887 179.488 177.584 0.027 0.000 1.176 303 A CA 0.977 53.021 52.037 0.012 0.000 0.628 303 A CB -0.592 18.418 19.000 0.015 0.000 0.816 303 A HN 0.464 nan 8.150 nan 0.000 0.444 304 Y N -0.312 119.986 120.300 -0.003 0.000 2.089 304 Y HA -0.211 4.339 4.550 -0.000 0.000 0.282 304 Y C 1.851 177.684 175.900 -0.112 0.000 1.139 304 Y CA 1.859 59.898 58.100 -0.102 0.000 1.123 304 Y CB -0.746 37.587 38.460 -0.212 0.000 0.980 304 Y HN 0.236 nan 8.280 nan 0.000 0.493 305 F N 0.526 120.280 119.950 -0.326 0.000 2.250 305 F HA -0.201 4.326 4.527 -0.000 0.000 0.301 305 F C 2.806 178.537 175.800 -0.114 0.000 1.077 305 F CA 1.986 59.794 58.000 -0.321 0.000 1.348 305 F CB -0.942 38.035 39.000 -0.037 0.000 1.040 305 F HN 0.305 nan 8.300 nan 0.000 0.509 306 T N -3.309 111.318 114.554 0.121 0.000 2.896 306 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 306 T C 2.235 176.908 174.700 -0.046 0.000 1.050 306 T CA 1.426 63.574 62.100 0.079 0.000 1.140 306 T CB -0.538 68.293 68.868 -0.062 0.000 0.877 306 T HN 0.119 nan 8.240 nan 0.000 0.457 307 S N 1.751 117.374 115.700 -0.129 0.000 2.348 307 S HA 0.064 4.534 4.470 -0.000 0.000 0.221 307 S C 2.607 177.102 174.600 -0.175 0.000 1.033 307 S CA 1.244 59.365 58.200 -0.133 0.000 1.010 307 S CB -0.971 62.154 63.200 -0.124 0.000 0.891 307 S HN 0.789 nan 8.310 nan 0.000 0.442 308 A N 1.216 123.816 122.820 -0.366 0.000 1.877 308 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 308 A C 2.327 179.815 177.584 -0.161 0.000 1.186 308 A CA 2.107 53.941 52.037 -0.337 0.000 0.620 308 A CB -1.430 17.168 19.000 -0.671 0.000 0.822 308 A HN 0.477 nan 8.150 nan 0.000 0.443 309 T N 0.104 114.602 114.554 -0.093 0.000 2.803 309 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 309 T C 1.848 176.555 174.700 0.012 0.000 1.052 309 T CA 1.785 63.900 62.100 0.026 0.000 1.136 309 T CB -0.322 68.657 68.868 0.185 0.000 0.864 309 T HN 0.453 nan 8.240 nan 0.000 0.467 310 M N 0.759 120.355 119.600 -0.007 0.000 2.319 310 M HA 0.075 4.555 4.480 -0.000 0.000 0.265 310 M C 2.200 178.510 176.300 0.017 0.000 1.068 310 M CA 1.114 56.417 55.300 0.006 0.000 1.118 310 M CB -0.492 32.106 32.600 -0.003 0.000 1.395 310 M HN 0.360 nan 8.290 nan 0.000 0.435 311 I N -1.948 118.626 120.570 0.006 0.000 2.614 311 I HA -0.196 3.974 4.170 -0.000 0.000 0.258 311 I C 1.932 178.069 176.117 0.034 0.000 1.189 311 I CA 1.089 62.406 61.300 0.028 0.000 1.462 311 I CB -0.788 37.232 38.000 0.033 0.000 1.092 311 I HN 0.219 nan 8.210 nan 0.000 0.442 312 I N 2.210 122.791 120.570 0.019 0.000 2.530 312 I HA -0.235 3.935 4.170 -0.000 0.000 0.257 312 I C 2.880 179.039 176.117 0.069 0.000 1.179 312 I CA 1.265 62.577 61.300 0.021 0.000 1.440 312 I CB -0.405 37.608 38.000 0.022 0.000 1.087 312 I HN 0.350 nan 8.210 nan 0.000 0.440 313 A N 0.977 123.844 122.820 0.078 0.000 2.015 313 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 313 A C 2.225 179.867 177.584 0.097 0.000 1.163 313 A CA 0.920 53.013 52.037 0.092 0.000 0.646 313 A CB -0.418 18.628 19.000 0.076 0.000 0.806 313 A HN 0.336 nan 8.150 nan 0.000 0.448 314 I N 0.561 121.192 120.570 0.102 0.000 2.090 314 I HA -0.156 4.014 4.170 -0.000 0.000 0.236 314 I C -0.313 175.900 176.117 0.161 0.000 1.064 314 I CA 1.553 62.941 61.300 0.146 0.000 1.324 314 I CB -1.229 36.871 38.000 0.166 0.000 1.044 314 I HN 0.217 nan 8.210 nan 0.000 0.399 315 P HA -0.137 nan 4.420 nan 0.000 0.218 315 P C 1.497 178.791 177.300 -0.011 0.000 1.148 315 P CA 1.671 64.763 63.100 -0.012 0.000 0.822 315 P CB -0.304 31.182 31.700 -0.356 0.000 0.784 316 T N -0.619 113.948 114.554 0.021 0.000 2.867 316 T HA -0.030 4.320 4.350 -0.000 0.000 0.268 316 T C 2.130 176.791 174.700 -0.065 0.000 1.057 316 T CA 1.572 63.680 62.100 0.014 0.000 1.136 316 T CB -0.984 68.003 68.868 0.199 0.000 0.874 316 T HN 0.196 nan 8.240 nan 0.000 0.466 317 G N 1.714 110.514 108.800 -0.000 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 1.846 176.717 174.900 -0.047 0.000 1.158 317 G CA 1.085 46.153 45.100 -0.053 0.000 0.771 317 G HN 0.528 nan 8.290 nan 0.000 0.545 318 V N -0.251 119.717 119.914 0.090 0.000 2.490 318 V HA -0.086 4.034 4.120 -0.000 0.000 0.250 318 V C 2.390 178.416 176.094 -0.113 0.000 1.061 318 V CA 2.534 64.903 62.300 0.115 0.000 1.064 318 V CB -0.471 31.480 31.823 0.214 0.000 0.670 318 V HN 0.359 nan 8.190 nan 0.000 0.461 319 K N 0.206 120.401 120.400 -0.342 0.000 2.025 319 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 319 K C 2.242 178.226 176.600 -1.025 0.000 1.049 319 K CA 1.617 57.418 56.287 -0.811 0.000 0.933 319 K CB -0.505 31.320 32.500 -1.125 0.000 0.714 319 K HN 0.475 nan 8.250 nan 0.000 0.438 320 V N 1.156 120.655 119.914 -0.693 0.000 2.332 320 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 320 V C 2.076 178.007 176.094 -0.272 0.000 1.055 320 V CA 1.772 63.844 62.300 -0.380 0.000 1.038 320 V CB -0.551 31.077 31.823 -0.325 0.000 0.651 320 V HN 0.150 nan 8.190 nan 0.000 0.450 321 F N 0.457 120.373 119.950 -0.057 0.000 2.259 321 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 321 F C 2.636 178.378 175.800 -0.096 0.000 1.088 321 F CA 1.260 59.233 58.000 -0.046 0.000 1.358 321 F CB -1.052 37.920 39.000 -0.048 0.000 1.040 321 F HN 0.047 nan 8.300 nan 0.000 0.505 322 S N -1.098 114.605 115.700 0.006 0.000 2.383 322 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 322 S C 1.861 176.528 174.600 0.112 0.000 1.026 322 S CA 0.848 59.079 58.200 0.051 0.000 0.981 322 S CB -0.384 62.846 63.200 0.050 0.000 0.818 322 S HN 0.380 nan 8.310 nan 0.000 0.472 323 W N 1.251 122.600 121.300 0.081 0.000 2.358 323 W HA 0.044 4.704 4.660 -0.000 0.000 0.303 323 W C 1.783 178.339 176.519 0.062 0.000 1.208 323 W CA 0.177 57.565 57.345 0.073 0.000 1.274 323 W CB -1.175 28.322 29.460 0.063 0.000 1.138 323 W HN 0.287 nan 8.180 nan 0.000 0.515 324 L N 0.496 121.896 121.223 0.296 0.000 2.056 324 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 324 L C 2.630 179.545 176.870 0.075 0.000 1.078 324 L CA 2.155 57.105 54.840 0.184 0.000 0.749 324 L CB -1.839 40.340 42.059 0.200 0.000 0.901 324 L HN -0.078 nan 8.230 nan 0.000 0.433 325 A N -1.705 121.081 122.820 -0.056 0.000 2.019 325 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 325 A C 2.351 179.919 177.584 -0.026 0.000 1.164 325 A CA 2.061 53.927 52.037 -0.285 0.000 0.644 325 A CB -0.820 17.541 19.000 -1.064 0.000 0.805 325 A HN 0.430 nan 8.150 nan 0.000 0.449 326 T N 0.374 115.006 114.554 0.130 0.000 2.777 326 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 326 T C 1.749 176.538 174.700 0.148 0.000 1.040 326 T CA 1.354 63.583 62.100 0.214 0.000 1.141 326 T CB -0.335 68.695 68.868 0.270 0.000 0.868 326 T HN 0.399 nan 8.240 nan 0.000 0.444 327 L N 0.192 121.491 121.223 0.126 0.000 2.131 327 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 327 L C 1.283 178.211 176.870 0.098 0.000 1.092 327 L CA 0.456 55.341 54.840 0.076 0.000 0.759 327 L CB -0.740 41.355 42.059 0.059 0.000 0.903 327 L HN 0.309 nan 8.230 nan 0.000 0.435 328 H N 0.952 120.027 119.070 0.007 0.000 3.216 328 H HA 0.129 4.685 4.556 -0.000 0.000 0.283 328 H C 1.180 176.515 175.328 0.012 0.000 0.921 328 H CA 0.313 56.361 56.048 -0.000 0.000 1.419 328 H CB 0.079 29.824 29.762 -0.027 0.000 1.460 328 H HN 0.312 nan 8.280 nan 0.000 0.553 329 G N 3.006 111.638 108.800 -0.280 0.000 2.168 329 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.263 329 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.263 329 G C 0.750 175.580 174.900 -0.117 0.000 0.977 329 G CA 0.436 45.371 45.100 -0.275 0.000 0.659 329 G HN 1.025 nan 8.290 nan 0.000 0.533 330 G N -0.436 108.325 108.800 -0.064 0.000 2.572 330 G HA2 0.428 4.388 3.960 -0.000 0.000 0.261 330 G HA3 0.428 4.388 3.960 -0.000 0.000 0.261 330 G C 0.024 174.890 174.900 -0.055 0.000 1.197 330 G CA 0.225 45.294 45.100 -0.051 0.000 0.870 330 G HN 0.666 nan 8.290 nan 0.000 0.548 331 N N 0.204 118.867 118.700 -0.061 0.000 2.589 331 N HA 0.230 4.970 4.740 -0.000 0.000 0.232 331 N C -0.476 174.995 175.510 -0.066 0.000 1.015 331 N CA -0.535 52.484 53.050 -0.052 0.000 0.931 331 N CB 0.198 38.650 38.487 -0.058 0.000 1.150 331 N HN 0.243 nan 8.380 nan 0.000 0.512 332 I N 2.797 123.324 120.570 -0.072 0.000 2.416 332 I HA 0.125 4.295 4.170 -0.000 0.000 0.288 332 I C 0.572 176.614 176.117 -0.124 0.000 1.051 332 I CA -0.034 61.173 61.300 -0.156 0.000 1.375 332 I CB 0.641 38.457 38.000 -0.307 0.000 1.407 332 I HN 0.154 nan 8.210 nan 0.000 0.516 333 K N 6.096 126.436 120.400 -0.099 0.000 2.263 333 K HA 0.181 4.501 4.320 -0.000 0.000 0.272 333 K C -1.088 175.460 176.600 -0.086 0.000 1.033 333 K CA -0.464 55.833 56.287 0.016 0.000 0.884 333 K CB 0.973 33.564 32.500 0.152 0.000 1.107 333 K HN 0.488 nan 8.250 nan 0.000 0.460 334 W N 3.114 124.379 121.300 -0.058 0.000 1.438 334 W HA 0.015 4.675 4.660 -0.000 0.000 0.455 334 W C 0.879 177.291 176.519 -0.178 0.000 0.656 334 W CA -0.230 57.035 57.345 -0.132 0.000 2.049 334 W CB -0.277 29.111 29.460 -0.120 0.000 1.683 334 W HN 0.381 nan 8.180 nan 0.000 0.228 335 S N 0.149 115.765 115.700 -0.140 0.000 2.669 335 S HA 0.390 4.860 4.470 -0.000 0.000 0.270 335 S C -1.595 172.845 174.600 -0.266 0.000 1.225 335 S CA -1.254 56.823 58.200 -0.206 0.000 0.991 335 S CB 1.688 64.622 63.200 -0.443 0.000 0.987 335 S HN -0.015 nan 8.310 nan 0.000 0.552 336 P HA -0.091 nan 4.420 nan 0.000 0.214 336 P C 1.682 178.917 177.300 -0.109 0.000 1.163 336 P CA 2.121 65.148 63.100 -0.121 0.000 0.889 336 P CB -0.306 31.447 31.700 0.088 0.000 0.790 337 A N -0.936 121.813 122.820 -0.118 0.000 1.940 337 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 337 A C 2.227 179.640 177.584 -0.284 0.000 1.176 337 A CA 2.375 54.343 52.037 -0.116 0.000 0.631 337 A CB -1.496 17.352 19.000 -0.253 0.000 0.814 337 A HN 0.151 nan 8.150 nan 0.000 0.446 338 M N -0.934 118.321 119.600 -0.575 0.000 2.229 338 M HA 0.034 4.514 4.480 -0.000 0.000 0.264 338 M C 1.980 178.068 176.300 -0.353 0.000 1.063 338 M CA 1.605 56.624 55.300 -0.468 0.000 1.114 338 M CB -0.530 31.736 32.600 -0.556 0.000 1.387 338 M HN 0.413 nan 8.290 nan 0.000 0.420 339 M N -1.840 117.491 119.600 -0.448 0.000 2.132 339 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 339 M C 1.842 177.742 176.300 -0.667 0.000 1.065 339 M CA 1.823 56.694 55.300 -0.714 0.000 1.122 339 M CB -0.510 31.354 32.600 -1.226 0.000 1.365 339 M HN 0.394 nan 8.290 nan 0.000 0.411 340 W N -0.002 121.054 121.300 -0.407 0.000 2.363 340 W HA -0.151 4.509 4.660 -0.000 0.000 0.296 340 W C 2.627 179.212 176.519 0.110 0.000 1.212 340 W CA 1.098 58.396 57.345 -0.078 0.000 1.260 340 W CB -0.348 29.069 29.460 -0.071 0.000 1.131 340 W HN 0.224 nan 8.180 nan 0.000 0.530 341 A N -0.139 122.788 122.820 0.179 0.000 1.929 341 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 341 A C 1.903 179.584 177.584 0.162 0.000 1.176 341 A CA 1.153 53.240 52.037 0.084 0.000 0.628 341 A CB -0.886 18.046 19.000 -0.114 0.000 0.816 341 A HN 0.277 nan 8.150 nan 0.000 0.444 342 L N -0.709 120.577 121.223 0.105 0.000 2.056 342 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 342 L C 2.837 179.934 176.870 0.378 0.000 1.078 342 L CA 1.017 55.953 54.840 0.160 0.000 0.749 342 L CB -0.814 41.271 42.059 0.043 0.000 0.901 342 L HN 0.478 nan 8.230 nan 0.000 0.433 343 G N -0.049 109.063 108.800 0.521 0.000 2.446 343 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.217 343 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.217 343 G C 1.477 176.836 174.900 0.764 0.000 1.168 343 G CA 0.779 46.378 45.100 0.833 0.000 0.771 343 G HN 0.297 nan 8.290 nan 0.000 0.551 344 F N 1.701 122.022 119.950 0.619 0.000 2.043 344 F HA -0.137 4.390 4.527 -0.000 0.000 0.297 344 F C 2.533 178.530 175.800 0.329 0.000 1.121 344 F CA 1.653 59.892 58.000 0.397 0.000 1.199 344 F CB -0.392 38.777 39.000 0.281 0.000 0.968 344 F HN 0.124 nan 8.300 nan 0.000 0.478 345 I N -0.769 120.189 120.570 0.648 0.000 2.194 345 I HA -0.337 3.833 4.170 -0.000 0.000 0.246 345 I C 2.341 178.735 176.117 0.462 0.000 1.093 345 I CA 1.720 63.348 61.300 0.547 0.000 1.355 345 I CB -0.672 37.590 38.000 0.436 0.000 1.046 345 I HN 0.266 nan 8.210 nan 0.000 0.413 346 F N 1.133 121.253 119.950 0.282 0.000 2.094 346 F HA -0.104 4.423 4.527 -0.000 0.000 0.291 346 F C 2.119 178.021 175.800 0.170 0.000 1.109 346 F CA 1.303 59.438 58.000 0.224 0.000 1.221 346 F CB -0.390 38.755 39.000 0.242 0.000 1.014 346 F HN -0.174 nan 8.300 nan 0.000 0.473 347 L N -0.112 121.112 121.223 0.001 0.000 2.042 347 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 347 L C 2.365 179.140 176.870 -0.160 0.000 1.076 347 L CA 1.745 56.495 54.840 -0.149 0.000 0.749 347 L CB -1.906 40.033 42.059 -0.201 0.000 0.893 347 L HN 0.299 nan 8.230 nan 0.000 0.432 348 F N 0.237 119.996 119.950 -0.318 0.000 2.171 348 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 348 F C 2.388 178.089 175.800 -0.165 0.000 1.090 348 F CA 1.849 59.639 58.000 -0.349 0.000 1.293 348 F CB -0.486 38.120 39.000 -0.657 0.000 1.013 348 F HN 0.037 nan 8.300 nan 0.000 0.486 349 T N 0.062 114.532 114.554 -0.139 0.000 2.746 349 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 349 T C 2.188 176.709 174.700 -0.298 0.000 1.039 349 T CA 1.539 63.535 62.100 -0.174 0.000 1.142 349 T CB -0.591 68.282 68.868 0.007 0.000 0.866 349 T HN 0.136 nan 8.240 nan 0.000 0.444 350 V N 1.327 121.014 119.914 -0.378 0.000 2.261 350 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 350 V C 2.878 178.759 176.094 -0.355 0.000 1.047 350 V CA 2.081 64.143 62.300 -0.398 0.000 1.015 350 V CB -1.283 30.236 31.823 -0.507 0.000 0.642 350 V HN 0.587 nan 8.190 nan 0.000 0.446 351 G N -0.397 108.209 108.800 -0.324 0.000 2.432 351 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.219 351 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.219 351 G C 1.536 176.286 174.900 -0.250 0.000 1.135 351 G CA 0.940 45.874 45.100 -0.277 0.000 0.767 351 G HN 0.607 nan 8.290 nan 0.000 0.550 352 G N 0.284 108.824 108.800 -0.433 0.000 2.430 352 G HA2 0.016 3.976 3.960 -0.000 0.000 0.216 352 G HA3 0.016 3.976 3.960 -0.000 0.000 0.216 352 G C 1.589 176.416 174.900 -0.122 0.000 1.146 352 G CA 0.332 45.238 45.100 -0.322 0.000 0.793 352 G HN 0.281 nan 8.290 nan 0.000 0.537 353 L N 0.898 122.039 121.223 -0.137 0.000 2.056 353 L HA 0.049 4.389 4.340 -0.000 0.000 0.207 353 L C 2.965 179.810 176.870 -0.042 0.000 1.078 353 L CA 1.603 56.399 54.840 -0.074 0.000 0.749 353 L CB -1.235 40.773 42.059 -0.086 0.000 0.901 353 L HN 0.130 nan 8.230 nan 0.000 0.433 354 T N -0.887 113.637 114.554 -0.049 0.000 2.849 354 T HA -0.123 4.227 4.350 -0.000 0.000 0.270 354 T C 1.621 176.317 174.700 -0.008 0.000 1.066 354 T CA 1.254 63.355 62.100 0.001 0.000 1.130 354 T CB -0.278 68.541 68.868 -0.081 0.000 0.864 354 T HN 0.538 nan 8.240 nan 0.000 0.481 355 G N 0.531 109.314 108.800 -0.028 0.000 2.511 355 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.217 355 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.217 355 G C 1.392 176.192 174.900 -0.166 0.000 1.133 355 G CA 0.039 44.963 45.100 -0.293 0.000 0.792 355 G HN 0.414 nan 8.290 nan 0.000 0.539 356 I N 0.857 121.388 120.570 -0.066 0.000 2.500 356 I HA -0.037 4.133 4.170 -0.000 0.000 0.252 356 I C 2.789 178.880 176.117 -0.043 0.000 1.142 356 I CA 0.541 61.815 61.300 -0.042 0.000 1.451 356 I CB -0.619 37.373 38.000 -0.014 0.000 1.093 356 I HN 0.013 nan 8.210 nan 0.000 0.430 357 V N 1.245 121.144 119.914 -0.025 0.000 2.261 357 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 357 V C 2.474 178.535 176.094 -0.056 0.000 1.047 357 V CA 1.508 63.795 62.300 -0.021 0.000 1.015 357 V CB -0.503 31.348 31.823 0.045 0.000 0.642 357 V HN 0.322 nan 8.190 nan 0.000 0.446 358 L N 0.175 121.360 121.223 -0.064 0.000 2.456 358 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 358 L C 2.475 179.307 176.870 -0.063 0.000 1.148 358 L CA 0.927 55.712 54.840 -0.091 0.000 0.825 358 L CB -0.715 41.236 42.059 -0.180 0.000 0.937 358 L HN 0.350 nan 8.230 nan 0.000 0.450 359 A N -0.557 122.222 122.820 -0.069 0.000 2.066 359 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 359 A C 0.959 178.572 177.584 0.048 0.000 1.157 359 A CA 0.464 52.506 52.037 0.008 0.000 0.670 359 A CB -0.373 18.614 19.000 -0.021 0.000 0.804 359 A HN 0.387 nan 8.150 nan 0.000 0.453 360 N N 1.373 120.046 118.700 -0.045 0.000 2.416 360 N HA 0.069 4.809 4.740 -0.000 0.000 0.265 360 N C 1.153 176.514 175.510 -0.248 0.000 1.195 360 N CA 0.700 53.673 53.050 -0.129 0.000 0.943 360 N CB 1.173 39.597 38.487 -0.105 0.000 1.115 360 N HN 0.501 nan 8.380 nan 0.000 0.481 361 S N 1.631 116.995 115.700 -0.561 0.000 2.383 361 S HA -0.222 4.248 4.470 -0.000 0.000 0.229 361 S C 2.076 176.420 174.600 -0.427 0.000 1.030 361 S CA 1.400 59.018 58.200 -0.970 0.000 1.002 361 S CB -0.324 62.034 63.200 -1.403 0.000 0.829 361 S HN 0.629 nan 8.310 nan 0.000 0.467 362 S N 2.631 118.162 115.700 -0.283 0.000 2.353 362 S HA -0.042 4.428 4.470 -0.000 0.000 0.222 362 S C 1.812 176.336 174.600 -0.127 0.000 1.035 362 S CA 1.166 59.265 58.200 -0.169 0.000 1.025 362 S CB -0.944 62.179 63.200 -0.128 0.000 0.902 362 S HN 0.344 nan 8.310 nan 0.000 0.440 363 L N 2.544 123.692 121.223 -0.125 0.000 2.201 363 L HA 0.083 4.423 4.340 -0.000 0.000 0.212 363 L C 1.989 178.806 176.870 -0.089 0.000 1.105 363 L CA 1.813 56.590 54.840 -0.106 0.000 0.775 363 L CB -1.036 40.955 42.059 -0.115 0.000 0.913 363 L HN 0.349 nan 8.230 nan 0.000 0.440 364 D N -1.183 119.176 120.400 -0.069 0.000 2.310 364 D HA -0.172 4.468 4.640 -0.000 0.000 0.212 364 D C 2.149 178.487 176.300 0.062 0.000 0.965 364 D CA 0.559 54.573 54.000 0.023 0.000 0.879 364 D CB 0.130 41.032 40.800 0.169 0.000 0.921 364 D HN 0.209 nan 8.370 nan 0.000 0.510 365 I N 0.385 120.960 120.570 0.007 0.000 2.127 365 I HA -0.190 3.980 4.170 -0.000 0.000 0.241 365 I C 2.427 178.575 176.117 0.052 0.000 1.075 365 I CA 0.911 62.229 61.300 0.030 0.000 1.334 365 I CB -1.143 36.852 38.000 -0.008 0.000 1.040 365 I HN 0.096 nan 8.210 nan 0.000 0.405 366 V N 0.330 120.249 119.914 0.009 0.000 3.406 366 V HA 0.004 4.124 4.120 -0.000 0.000 0.263 366 V C 1.923 178.009 176.094 -0.014 0.000 1.172 366 V CA 0.792 63.093 62.300 0.002 0.000 1.140 366 V CB 0.135 31.947 31.823 -0.018 0.000 0.784 366 V HN 0.287 nan 8.190 nan 0.000 0.467 367 L N -0.717 120.492 121.223 -0.023 0.000 2.470 367 L HA 0.264 4.604 4.340 -0.000 0.000 0.219 367 L C 1.177 178.064 176.870 0.027 0.000 1.071 367 L CA -0.060 54.749 54.840 -0.051 0.000 0.850 367 L CB -0.342 41.613 42.059 -0.174 0.000 1.040 367 L HN 0.394 nan 8.230 nan 0.000 0.475 368 H N 1.293 120.361 119.070 -0.003 0.000 3.038 368 H HA -0.123 4.433 4.556 -0.000 0.000 0.338 368 H C 0.470 175.814 175.328 0.026 0.000 1.041 368 H CA 0.723 56.783 56.048 0.020 0.000 1.394 368 H CB 0.161 29.946 29.762 0.039 0.000 1.357 368 H HN 0.133 nan 8.280 nan 0.000 0.600 369 D N 1.820 121.740 120.400 -0.800 0.000 2.983 369 D HA -0.218 4.422 4.640 -0.000 0.000 0.225 369 D C -0.216 175.948 176.300 -0.225 0.000 1.174 369 D CA 1.440 55.135 54.000 -0.509 0.000 0.831 369 D CB -0.842 39.669 40.800 -0.482 0.000 1.104 369 D HN 0.759 nan 8.370 nan 0.000 0.421 370 T N -4.071 110.399 114.554 -0.141 0.000 2.919 370 T HA 0.402 4.752 4.350 -0.000 0.000 0.282 370 T C 1.015 175.681 174.700 -0.057 0.000 1.020 370 T CA -0.707 61.349 62.100 -0.073 0.000 0.994 370 T CB 0.875 69.734 68.868 -0.015 0.000 1.180 370 T HN -0.069 nan 8.240 nan 0.000 0.566 371 Y N -0.665 119.569 120.300 -0.110 0.000 2.639 371 Y HA 0.066 4.616 4.550 -0.000 0.000 0.297 371 Y C 1.953 177.779 175.900 -0.123 0.000 1.151 371 Y CA 0.525 58.551 58.100 -0.123 0.000 1.335 371 Y CB -0.528 37.828 38.460 -0.174 0.000 0.994 371 Y HN 0.820 nan 8.280 nan 0.000 0.548 372 Y N -0.765 119.485 120.300 -0.083 0.000 2.293 372 Y HA -0.207 4.343 4.550 -0.000 0.000 0.291 372 Y C 2.471 178.285 175.900 -0.144 0.000 1.137 372 Y CA 1.556 59.574 58.100 -0.137 0.000 1.202 372 Y CB -0.200 38.210 38.460 -0.083 0.000 0.990 372 Y HN 0.035 nan 8.280 nan 0.000 0.537 373 V N -1.541 118.407 119.914 0.057 0.000 2.719 373 V HA -0.112 4.008 4.120 -0.000 0.000 0.252 373 V C 1.819 177.867 176.094 -0.077 0.000 1.065 373 V CA 1.720 64.065 62.300 0.075 0.000 1.086 373 V CB -0.677 31.237 31.823 0.152 0.000 0.700 373 V HN 0.205 nan 8.190 nan 0.000 0.467 374 V N 1.189 120.918 119.914 -0.309 0.000 2.515 374 V HA -0.112 4.008 4.120 -0.000 0.000 0.250 374 V C 3.047 178.764 176.094 -0.629 0.000 1.058 374 V CA 1.999 63.860 62.300 -0.731 0.000 1.064 374 V CB -1.233 30.221 31.823 -0.615 0.000 0.675 374 V HN 0.683 nan 8.190 nan 0.000 0.461 375 A N -0.123 122.434 122.820 -0.439 0.000 1.898 375 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 375 A C 2.098 179.445 177.584 -0.395 0.000 1.181 375 A CA 2.075 53.827 52.037 -0.474 0.000 0.620 375 A CB -0.782 17.619 19.000 -1.000 0.000 0.819 375 A HN 0.750 nan 8.150 nan 0.000 0.442 376 H N 0.267 119.047 119.070 -0.482 0.000 2.253 376 H HA -0.221 4.335 4.556 -0.000 0.000 0.296 376 H C 1.678 176.905 175.328 -0.169 0.000 1.074 376 H CA 2.581 58.455 56.048 -0.290 0.000 1.263 376 H CB -0.802 28.855 29.762 -0.176 0.000 1.363 376 H HN 0.574 nan 8.280 nan 0.000 0.489 377 F N -1.001 118.743 119.950 -0.345 0.000 2.546 377 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 377 F C 1.681 177.143 175.800 -0.563 0.000 1.120 377 F CA 1.149 58.826 58.000 -0.538 0.000 1.456 377 F CB -0.932 37.871 39.000 -0.327 0.000 1.088 377 F HN 0.229 nan 8.300 nan 0.000 0.572 378 H N -2.037 116.653 119.070 -0.634 0.000 2.497 378 H HA 0.050 4.606 4.556 -0.000 0.000 0.282 378 H C 1.432 176.326 175.328 -0.722 0.000 1.003 378 H CA 1.417 56.971 56.048 -0.824 0.000 1.307 378 H CB -0.208 28.603 29.762 -1.585 0.000 1.437 378 H HN 0.242 nan 8.280 nan 0.000 0.544 379 Y N 0.133 120.130 120.300 -0.506 0.000 2.133 379 Y HA -0.210 4.340 4.550 -0.000 0.000 0.287 379 Y C 2.563 178.222 175.900 -0.401 0.000 1.134 379 Y CA 1.515 59.366 58.100 -0.415 0.000 1.133 379 Y CB -0.418 37.839 38.460 -0.338 0.000 0.987 379 Y HN 0.134 nan 8.280 nan 0.000 0.502 380 V N -2.280 117.463 119.914 -0.284 0.000 2.809 380 V HA -0.150 3.970 4.120 -0.000 0.000 0.256 380 V C 1.713 177.692 176.094 -0.191 0.000 1.080 380 V CA 1.491 63.645 62.300 -0.243 0.000 1.102 380 V CB -0.732 30.899 31.823 -0.321 0.000 0.705 380 V HN 0.370 nan 8.190 nan 0.000 0.475 381 L N -0.163 120.903 121.223 -0.261 0.000 2.262 381 L HA 0.150 4.490 4.340 -0.000 0.000 0.197 381 L C 2.703 179.459 176.870 -0.190 0.000 1.073 381 L CA 1.284 55.986 54.840 -0.229 0.000 0.800 381 L CB -0.392 41.493 42.059 -0.291 0.000 0.987 381 L HN 0.299 nan 8.230 nan 0.000 0.470 382 S N -0.620 114.925 115.700 -0.259 0.000 2.489 382 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 382 S C 1.521 176.012 174.600 -0.181 0.000 0.995 382 S CA 0.818 58.923 58.200 -0.159 0.000 0.934 382 S CB 0.081 63.167 63.200 -0.190 0.000 0.771 382 S HN 0.284 nan 8.310 nan 0.000 0.522 383 M N -0.422 118.952 119.600 -0.376 0.000 2.340 383 M HA 0.318 4.798 4.480 -0.000 0.000 0.345 383 M C 1.241 177.264 176.300 -0.462 0.000 1.008 383 M CA -0.052 54.813 55.300 -0.725 0.000 0.987 383 M CB 1.290 33.339 32.600 -0.918 0.000 1.598 383 M HN 0.306 nan 8.290 nan 0.000 0.569 384 G N 0.047 108.753 108.800 -0.158 0.000 2.495 384 G HA2 0.334 4.294 3.960 -0.000 0.000 0.219 384 G HA3 0.334 4.294 3.960 -0.000 0.000 0.219 384 G C 1.304 176.376 174.900 0.287 0.000 1.875 384 G CA 0.624 45.717 45.100 -0.012 0.000 0.757 384 G HN 0.265 nan 8.290 nan 0.000 0.682 385 A N 0.141 123.046 122.820 0.142 0.000 1.881 385 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 385 A C 2.563 180.242 177.584 0.158 0.000 1.215 385 A CA 2.690 54.797 52.037 0.116 0.000 0.648 385 A CB -1.102 17.891 19.000 -0.012 0.000 0.832 385 A HN 0.478 nan 8.150 nan 0.000 0.455 386 V N -1.418 118.589 119.914 0.154 0.000 2.392 386 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 386 V C 2.342 178.609 176.094 0.288 0.000 1.059 386 V CA 2.077 64.491 62.300 0.191 0.000 1.051 386 V CB -0.934 31.008 31.823 0.198 0.000 0.658 386 V HN 0.531 nan 8.190 nan 0.000 0.455 387 F N 0.694 120.741 119.950 0.163 0.000 2.186 387 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 387 F C 2.368 178.256 175.800 0.146 0.000 1.090 387 F CA 0.854 59.018 58.000 0.274 0.000 1.307 387 F CB -1.162 38.170 39.000 0.553 0.000 1.019 387 F HN 0.106 nan 8.300 nan 0.000 0.489 388 A N 0.243 123.266 122.820 0.339 0.000 1.873 388 A HA -0.136 4.184 4.320 -0.000 0.000 0.215 388 A C 2.324 179.885 177.584 -0.039 0.000 1.186 388 A CA 1.457 53.525 52.037 0.052 0.000 0.616 388 A CB -1.064 17.922 19.000 -0.024 0.000 0.823 388 A HN 0.332 nan 8.150 nan 0.000 0.442 389 I N -0.555 120.021 120.570 0.010 0.000 2.264 389 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 389 I C 2.581 178.695 176.117 -0.004 0.000 1.111 389 I CA 1.217 62.537 61.300 0.033 0.000 1.382 389 I CB -0.285 37.777 38.000 0.104 0.000 1.060 389 I HN 0.322 nan 8.210 nan 0.000 0.418 390 M N -0.061 119.380 119.600 -0.265 0.000 2.193 390 M HA -0.030 4.450 4.480 -0.000 0.000 0.265 390 M C 2.451 178.449 176.300 -0.504 0.000 1.071 390 M CA 1.631 56.575 55.300 -0.593 0.000 1.140 390 M CB -1.596 30.032 32.600 -1.621 0.000 1.369 390 M HN 0.279 nan 8.290 nan 0.000 0.423 391 G N 0.115 108.669 108.800 -0.410 0.000 2.421 391 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 391 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 391 G C 1.559 176.443 174.900 -0.026 0.000 1.171 391 G CA 1.072 46.111 45.100 -0.103 0.000 0.775 391 G HN 0.538 nan 8.290 nan 0.000 0.543 392 G N 0.196 108.980 108.800 -0.027 0.000 2.422 392 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 392 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 392 G C 1.619 176.770 174.900 0.417 0.000 1.146 392 G CA 0.888 46.040 45.100 0.086 0.000 0.769 392 G HN 0.347 nan 8.290 nan 0.000 0.547 393 F N 1.813 121.955 119.950 0.320 0.000 2.102 393 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 393 F C 2.753 178.716 175.800 0.273 0.000 1.105 393 F CA 1.894 60.174 58.000 0.468 0.000 1.239 393 F CB -0.311 38.879 39.000 0.318 0.000 0.991 393 F HN 0.069 nan 8.300 nan 0.000 0.474 394 V N -1.754 118.265 119.914 0.175 0.000 2.667 394 V HA -0.175 3.945 4.120 -0.000 0.000 0.252 394 V C 2.312 178.439 176.094 0.054 0.000 1.065 394 V CA 2.181 64.519 62.300 0.063 0.000 1.083 394 V CB -1.306 30.617 31.823 0.168 0.000 0.692 394 V HN 0.507 nan 8.190 nan 0.000 0.468 395 H N -0.814 118.202 119.070 -0.090 0.000 2.333 395 H HA -0.030 4.526 4.556 -0.000 0.000 0.302 395 H C 1.773 176.938 175.328 -0.272 0.000 1.075 395 H CA 2.169 58.081 56.048 -0.226 0.000 1.348 395 H CB -0.129 29.321 29.762 -0.520 0.000 1.393 395 H HN 0.534 nan 8.280 nan 0.000 0.509 396 W N -0.441 120.646 121.300 -0.356 0.000 3.211 396 W HA 0.049 4.709 4.660 -0.000 0.000 0.292 396 W C 1.427 177.265 176.519 -1.135 0.000 1.268 396 W CA -0.290 56.520 57.345 -0.892 0.000 1.702 396 W CB -0.701 28.110 29.460 -1.082 0.000 1.092 396 W HN 0.199 nan 8.180 nan 0.000 0.643 397 F N 2.905 122.456 119.950 -0.665 0.000 2.120 397 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 397 F C -0.835 174.687 175.800 -0.463 0.000 1.095 397 F CA 1.693 59.290 58.000 -0.672 0.000 1.249 397 F CB -1.554 37.041 39.000 -0.674 0.000 0.995 397 F HN -0.240 nan 8.300 nan 0.000 0.480 398 P HA -0.153 nan 4.420 nan 0.000 0.218 398 P C 1.890 179.003 177.300 -0.312 0.000 1.149 398 P CA 1.242 64.174 63.100 -0.280 0.000 0.817 398 P CB -0.126 31.582 31.700 0.014 0.000 0.785 399 L N -1.894 119.060 121.223 -0.447 0.000 2.093 399 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 399 L C 1.843 178.390 176.870 -0.539 0.000 1.085 399 L CA 1.904 56.408 54.840 -0.560 0.000 0.755 399 L CB -1.043 40.349 42.059 -1.112 0.000 0.904 399 L HN -0.176 nan 8.230 nan 0.000 0.435 400 F N -0.551 118.928 119.950 -0.786 0.000 2.234 400 F HA -0.016 4.511 4.527 -0.000 0.000 0.296 400 F C 2.760 178.251 175.800 -0.514 0.000 1.089 400 F CA 0.939 58.340 58.000 -1.000 0.000 1.343 400 F CB -1.454 36.911 39.000 -1.058 0.000 1.040 400 F HN 0.354 nan 8.300 nan 0.000 0.498 401 S N -1.608 113.804 115.700 -0.481 0.000 2.499 401 S HA 0.427 4.897 4.470 -0.000 0.000 0.225 401 S C 1.870 176.143 174.600 -0.543 0.000 1.050 401 S CA 0.540 58.459 58.200 -0.469 0.000 0.928 401 S CB 0.324 62.997 63.200 -0.879 0.000 0.803 401 S HN 0.509 nan 8.310 nan 0.000 0.506 402 G N -0.012 108.490 108.800 -0.496 0.000 2.175 402 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 402 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 402 G C -0.229 174.415 174.900 -0.427 0.000 0.982 402 G CA 0.316 45.159 45.100 -0.428 0.000 0.641 402 G HN 0.511 nan 8.290 nan 0.000 0.527 403 Y N 1.001 121.165 120.300 -0.227 0.000 2.549 403 Y HA 0.718 5.268 4.550 -0.000 0.000 0.339 403 Y C 0.908 176.762 175.900 -0.077 0.000 1.053 403 Y CA -0.772 57.241 58.100 -0.146 0.000 1.105 403 Y CB 1.585 39.939 38.460 -0.177 0.000 1.258 403 Y HN 0.315 nan 8.280 nan 0.000 0.478 404 T N -0.384 114.290 114.554 0.200 0.000 2.925 404 T HA 0.773 5.123 4.350 -0.000 0.000 0.285 404 T C -0.435 174.356 174.700 0.152 0.000 1.021 404 T CA -0.894 61.307 62.100 0.167 0.000 1.042 404 T CB 0.896 69.822 68.868 0.096 0.000 1.037 404 T HN 0.464 nan 8.240 nan 0.000 0.481 405 L N 1.870 123.163 121.223 0.117 0.000 2.439 405 L HA 0.421 4.761 4.340 -0.000 0.000 0.259 405 L C 0.990 177.887 176.870 0.045 0.000 1.129 405 L CA -1.131 53.711 54.840 0.002 0.000 0.803 405 L CB 0.497 42.524 42.059 -0.053 0.000 1.161 405 L HN 0.707 nan 8.230 nan 0.000 0.462 406 N N 0.955 119.695 118.700 0.066 0.000 2.415 406 N HA -0.025 4.715 4.740 -0.000 0.000 0.250 406 N C 0.238 175.843 175.510 0.159 0.000 1.127 406 N CA -0.022 53.111 53.050 0.138 0.000 0.945 406 N CB 0.884 39.535 38.487 0.273 0.000 1.196 406 N HN 0.526 nan 8.380 nan 0.000 0.499 407 D N 2.028 122.491 120.400 0.105 0.000 2.172 407 D HA -0.157 4.483 4.640 -0.000 0.000 0.196 407 D C 1.142 177.502 176.300 0.099 0.000 0.999 407 D CA 1.644 55.701 54.000 0.095 0.000 0.856 407 D CB 0.250 41.086 40.800 0.060 0.000 0.934 407 D HN 0.547 nan 8.370 nan 0.000 0.453 408 T N -1.140 113.454 114.554 0.067 0.000 2.737 408 T HA -0.141 4.209 4.350 -0.000 0.000 0.265 408 T C 1.716 176.470 174.700 0.089 0.000 1.038 408 T CA 0.916 63.019 62.100 0.005 0.000 1.144 408 T CB -0.504 68.293 68.868 -0.118 0.000 0.866 408 T HN 0.353 nan 8.240 nan 0.000 0.434 409 W N 1.392 122.754 121.300 0.103 0.000 2.338 409 W HA -0.052 4.608 4.660 -0.000 0.000 0.304 409 W C 2.856 179.482 176.519 0.179 0.000 1.212 409 W CA 0.531 57.967 57.345 0.153 0.000 1.264 409 W CB -0.315 29.241 29.460 0.161 0.000 1.142 409 W HN 0.215 nan 8.180 nan 0.000 0.512 410 A N 0.486 123.541 122.820 0.393 0.000 1.940 410 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 410 A C 1.827 179.622 177.584 0.352 0.000 1.176 410 A CA 1.964 54.216 52.037 0.358 0.000 0.631 410 A CB -0.619 18.541 19.000 0.266 0.000 0.814 410 A HN 0.322 nan 8.150 nan 0.000 0.446 411 K N -0.622 119.909 120.400 0.219 0.000 2.103 411 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 411 K C 1.768 178.483 176.600 0.191 0.000 1.052 411 K CA 1.184 57.550 56.287 0.132 0.000 0.945 411 K CB -0.287 32.238 32.500 0.040 0.000 0.722 411 K HN 0.515 nan 8.250 nan 0.000 0.443 412 I N 0.759 121.468 120.570 0.230 0.000 2.179 412 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 412 I C 2.698 178.989 176.117 0.289 0.000 1.088 412 I CA 1.362 62.806 61.300 0.238 0.000 1.357 412 I CB -0.439 37.747 38.000 0.311 0.000 1.051 412 I HN 0.352 nan 8.210 nan 0.000 0.409 413 H N 0.834 120.078 119.070 0.289 0.000 2.289 413 H HA -0.304 4.252 4.556 -0.000 0.000 0.296 413 H C 2.313 177.775 175.328 0.224 0.000 1.091 413 H CA 2.530 58.752 56.048 0.289 0.000 1.274 413 H CB -0.287 29.692 29.762 0.361 0.000 1.364 413 H HN 0.345 nan 8.280 nan 0.000 0.490 414 F N 1.434 121.308 119.950 -0.126 0.000 2.095 414 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 414 F C 2.706 178.283 175.800 -0.372 0.000 1.104 414 F CA 1.940 59.550 58.000 -0.652 0.000 1.232 414 F CB -0.832 37.586 39.000 -0.971 0.000 0.987 414 F HN 0.232 nan 8.300 nan 0.000 0.475 415 A N 1.096 123.814 122.820 -0.170 0.000 1.892 415 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 415 A C 2.326 179.820 177.584 -0.150 0.000 1.188 415 A CA 2.271 54.190 52.037 -0.198 0.000 0.631 415 A CB -1.350 17.650 19.000 0.001 0.000 0.822 415 A HN 0.569 nan 8.150 nan 0.000 0.447 416 I N -1.673 118.855 120.570 -0.070 0.000 2.142 416 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 416 I C 2.670 178.761 176.117 -0.044 0.000 1.078 416 I CA 2.013 63.305 61.300 -0.013 0.000 1.343 416 I CB -0.305 37.727 38.000 0.053 0.000 1.046 416 I HN 0.422 nan 8.210 nan 0.000 0.405 417 M N 0.426 119.957 119.600 -0.116 0.000 2.213 417 M HA -0.242 4.238 4.480 -0.000 0.000 0.263 417 M C 2.039 178.331 176.300 -0.014 0.000 1.062 417 M CA 1.828 57.101 55.300 -0.045 0.000 1.105 417 M CB -0.485 32.091 32.600 -0.040 0.000 1.385 417 M HN 0.178 nan 8.290 nan 0.000 0.417 418 F N -0.628 119.108 119.950 -0.356 0.000 2.171 418 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 418 F C 1.745 177.486 175.800 -0.099 0.000 1.090 418 F CA 1.582 59.419 58.000 -0.271 0.000 1.293 418 F CB -0.311 38.294 39.000 -0.658 0.000 1.013 418 F HN -0.032 nan 8.300 nan 0.000 0.486 419 V N -0.031 119.886 119.914 0.003 0.000 2.283 419 V HA -0.148 3.972 4.120 -0.000 0.000 0.243 419 V C 2.780 178.842 176.094 -0.054 0.000 1.039 419 V CA 1.799 64.090 62.300 -0.016 0.000 1.016 419 V CB -1.585 30.262 31.823 0.039 0.000 0.650 419 V HN 0.475 nan 8.190 nan 0.000 0.449 420 G N 0.985 109.773 108.800 -0.020 0.000 2.553 420 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 420 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 420 G C 1.792 176.663 174.900 -0.048 0.000 1.195 420 G CA 2.159 47.251 45.100 -0.013 0.000 0.779 420 G HN 0.616 nan 8.290 nan 0.000 0.577 421 V N -0.777 119.123 119.914 -0.023 0.000 2.407 421 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 421 V C 2.224 178.280 176.094 -0.063 0.000 1.055 421 V CA 2.322 64.629 62.300 0.013 0.000 1.049 421 V CB -0.617 31.251 31.823 0.074 0.000 0.662 421 V HN 0.318 nan 8.190 nan 0.000 0.455 422 N N -0.055 118.539 118.700 -0.177 0.000 2.216 422 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 422 N C 1.858 177.361 175.510 -0.012 0.000 1.017 422 N CA 1.974 54.945 53.050 -0.131 0.000 0.861 422 N CB -0.191 38.141 38.487 -0.258 0.000 0.986 422 N HN 0.567 nan 8.380 nan 0.000 0.428 423 M N 0.825 120.395 119.600 -0.049 0.000 2.159 423 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 423 M C 1.656 177.908 176.300 -0.081 0.000 1.063 423 M CA 1.283 56.575 55.300 -0.013 0.000 1.110 423 M CB -0.095 32.499 32.600 -0.010 0.000 1.374 423 M HN 0.014 nan 8.290 nan 0.000 0.411 424 T N 0.202 114.621 114.554 -0.225 0.000 2.737 424 T HA -0.095 4.255 4.350 -0.000 0.000 0.265 424 T C 1.142 175.443 174.700 -0.665 0.000 1.038 424 T CA 1.544 63.334 62.100 -0.518 0.000 1.144 424 T CB -0.276 68.088 68.868 -0.841 0.000 0.866 424 T HN 0.360 nan 8.240 nan 0.000 0.434 425 F N -0.582 119.322 119.950 -0.077 0.000 2.656 425 F HA 0.363 4.890 4.527 -0.000 0.000 0.291 425 F C 1.716 177.542 175.800 0.043 0.000 1.122 425 F CA -0.970 56.990 58.000 -0.066 0.000 1.427 425 F CB -0.558 38.378 39.000 -0.106 0.000 1.125 425 F HN 0.024 nan 8.300 nan 0.000 0.583 426 F N 2.598 122.620 119.950 0.120 0.000 2.095 426 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 426 F C -0.739 174.882 175.800 -0.298 0.000 1.104 426 F CA 1.229 59.257 58.000 0.047 0.000 1.232 426 F CB -1.720 37.272 39.000 -0.013 0.000 0.987 426 F HN -0.123 nan 8.300 nan 0.000 0.475 427 P HA -0.225 nan 4.420 nan 0.000 0.216 427 P C 1.265 178.176 177.300 -0.647 0.000 1.150 427 P CA 2.066 64.803 63.100 -0.604 0.000 0.843 427 P CB -0.250 31.386 31.700 -0.108 0.000 0.787 428 Q N -1.824 117.728 119.800 -0.413 0.000 2.376 428 Q HA -0.227 4.113 4.340 -0.000 0.000 0.211 428 Q C 1.731 177.482 176.000 -0.415 0.000 0.986 428 Q CA 1.205 56.815 55.803 -0.321 0.000 0.886 428 Q CB -0.734 27.927 28.738 -0.129 0.000 0.927 428 Q HN 0.550 nan 8.270 nan 0.000 0.457 429 H N -0.958 117.698 119.070 -0.689 0.000 2.395 429 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 429 H C 1.377 176.533 175.328 -0.288 0.000 1.070 429 H CA 1.325 57.011 56.048 -0.604 0.000 1.356 429 H CB 0.078 29.271 29.762 -0.948 0.000 1.401 429 H HN 0.192 nan 8.280 nan 0.000 0.524 430 F N 0.351 120.124 119.950 -0.294 0.000 2.113 430 F HA -0.129 4.398 4.527 -0.000 0.000 0.297 430 F C 2.222 177.962 175.800 -0.100 0.000 1.103 430 F CA 0.814 58.639 58.000 -0.293 0.000 1.248 430 F CB -1.111 37.423 39.000 -0.778 0.000 0.999 430 F HN 0.087 nan 8.300 nan 0.000 0.475 431 L N -0.259 120.996 121.223 0.054 0.000 2.043 431 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 431 L C 2.712 179.566 176.870 -0.026 0.000 1.075 431 L CA 1.638 56.468 54.840 -0.018 0.000 0.752 431 L CB -1.529 40.393 42.059 -0.229 0.000 0.891 431 L HN 0.303 nan 8.230 nan 0.000 0.432 432 G N -0.122 108.708 108.800 0.051 0.000 2.394 432 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 432 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 432 G C 1.641 176.592 174.900 0.086 0.000 1.176 432 G CA 0.337 45.497 45.100 0.100 0.000 0.786 432 G HN 0.203 nan 8.290 nan 0.000 0.533 433 L N 1.588 122.887 121.223 0.127 0.000 2.042 433 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 433 L C 3.007 179.928 176.870 0.084 0.000 1.076 433 L CA 1.563 56.440 54.840 0.062 0.000 0.749 433 L CB -0.332 41.789 42.059 0.104 0.000 0.893 433 L HN 0.417 nan 8.230 nan 0.000 0.432 434 S N -0.867 114.922 115.700 0.148 0.000 2.650 434 S HA 0.174 4.644 4.470 -0.000 0.000 0.219 434 S C 1.417 176.164 174.600 0.245 0.000 0.960 434 S CA 0.328 58.657 58.200 0.216 0.000 0.925 434 S CB 0.282 63.683 63.200 0.334 0.000 0.775 434 S HN 0.584 nan 8.310 nan 0.000 0.525 435 G N 1.006 109.875 108.800 0.114 0.000 2.176 435 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 435 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 435 G C -0.048 174.816 174.900 -0.060 0.000 0.986 435 G CA 0.060 45.206 45.100 0.076 0.000 0.643 435 G HN 0.608 nan 8.290 nan 0.000 0.522 436 M N 1.936 121.326 119.600 -0.349 0.000 2.307 436 M HA 0.363 4.843 4.480 -0.000 0.000 0.346 436 M C -1.999 174.154 176.300 -0.245 0.000 1.552 436 M CA -1.196 53.776 55.300 -0.546 0.000 1.116 436 M CB 0.612 32.671 32.600 -0.902 0.000 1.889 436 M HN -0.008 nan 8.290 nan 0.000 0.460 437 P HA 0.176 nan 4.420 nan 0.000 0.273 437 P C -1.128 176.003 177.300 -0.281 0.000 1.250 437 P CA -0.073 62.760 63.100 -0.445 0.000 0.793 437 P CB 0.589 31.705 31.700 -0.974 0.000 1.011 438 R N 0.650 121.022 120.500 -0.214 0.000 2.549 438 R HA 0.481 4.821 4.340 -0.000 0.000 0.267 438 R C 0.315 176.656 176.300 0.068 0.000 1.045 438 R CA -0.678 55.340 56.100 -0.137 0.000 1.115 438 R CB 0.345 30.537 30.300 -0.179 0.000 1.121 438 R HN 0.370 nan 8.270 nan 0.000 0.543 439 R N -0.731 119.904 120.500 0.224 0.000 3.770 439 R HA -0.198 4.142 4.340 -0.000 0.000 0.305 439 R C -1.103 175.548 176.300 0.583 0.000 1.184 439 R CA 0.691 57.026 56.100 0.392 0.000 0.823 439 R CB -1.708 28.745 30.300 0.255 0.000 1.285 439 R HN 0.395 nan 8.270 nan 0.000 0.499 440 Y N -0.151 120.309 120.300 0.267 0.000 2.387 440 Y HA 0.250 4.800 4.550 -0.000 0.000 0.336 440 Y C 1.523 177.352 175.900 -0.119 0.000 1.067 440 Y CA -1.282 56.888 58.100 0.117 0.000 1.114 440 Y CB 1.850 40.393 38.460 0.138 0.000 1.208 440 Y HN 0.091 nan 8.280 nan 0.000 0.458 441 S N -0.417 115.136 115.700 -0.246 0.000 2.575 441 S HA 0.169 4.639 4.470 -0.000 0.000 0.215 441 S C -0.067 174.365 174.600 -0.280 0.000 0.966 441 S CA 0.086 57.885 58.200 -0.669 0.000 0.911 441 S CB 0.309 63.136 63.200 -0.621 0.000 0.780 441 S HN 0.652 nan 8.310 nan 0.000 0.514 442 D N -0.304 120.043 120.400 -0.089 0.000 2.622 442 D HA 0.477 5.117 4.640 -0.000 0.000 0.255 442 D C -1.796 174.545 176.300 0.069 0.000 1.246 442 D CA -0.667 53.249 54.000 -0.141 0.000 0.795 442 D CB 1.729 42.401 40.800 -0.214 0.000 1.369 442 D HN 0.227 nan 8.370 nan 0.000 0.425 443 Y N -2.081 118.278 120.300 0.098 0.000 2.571 443 Y HA 0.704 5.254 4.550 -0.000 0.000 0.341 443 Y C -2.725 173.288 175.900 0.188 0.000 1.076 443 Y CA -2.298 55.932 58.100 0.217 0.000 1.029 443 Y CB 0.105 38.710 38.460 0.242 0.000 1.308 443 Y HN 0.027 nan 8.280 nan 0.000 0.461 444 P HA 0.040 nan 4.420 nan 0.000 0.266 444 P C 0.153 177.540 177.300 0.146 0.000 1.193 444 P CA 0.309 63.509 63.100 0.166 0.000 0.770 444 P CB 0.833 32.607 31.700 0.123 0.000 0.836 445 D N 2.106 122.520 120.400 0.024 0.000 2.203 445 D HA -0.222 4.418 4.640 -0.000 0.000 0.199 445 D C 1.825 178.121 176.300 -0.008 0.000 0.997 445 D CA 1.923 55.934 54.000 0.017 0.000 0.863 445 D CB -0.619 40.161 40.800 -0.034 0.000 0.928 445 D HN 0.403 nan 8.370 nan 0.000 0.458 446 A N 0.145 122.869 122.820 -0.159 0.000 2.024 446 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 446 A C 1.294 178.745 177.584 -0.222 0.000 1.164 446 A CA 1.014 52.890 52.037 -0.269 0.000 0.643 446 A CB -0.840 17.896 19.000 -0.439 0.000 0.806 446 A HN 0.273 nan 8.150 nan 0.000 0.451 447 Y N 0.463 120.803 120.300 0.067 0.000 2.470 447 Y HA 0.102 4.652 4.550 -0.000 0.000 0.302 447 Y C 2.209 178.017 175.900 -0.153 0.000 1.194 447 Y CA 0.347 58.423 58.100 -0.041 0.000 1.271 447 Y CB -1.107 37.302 38.460 -0.086 0.000 1.092 447 Y HN 0.224 nan 8.280 nan 0.000 0.513 448 T N -0.294 114.330 114.554 0.115 0.000 2.737 448 T HA -0.244 4.106 4.350 -0.000 0.000 0.265 448 T C 2.110 176.775 174.700 -0.059 0.000 1.038 448 T CA 1.488 63.672 62.100 0.140 0.000 1.144 448 T CB -0.185 68.768 68.868 0.142 0.000 0.866 448 T HN 0.441 nan 8.240 nan 0.000 0.434 449 M N -0.186 119.279 119.600 -0.226 0.000 2.065 449 M HA -0.145 4.335 4.480 -0.000 0.000 0.259 449 M C 1.923 178.097 176.300 -0.210 0.000 1.069 449 M CA 1.964 57.054 55.300 -0.349 0.000 1.110 449 M CB -0.295 31.887 32.600 -0.697 0.000 1.328 449 M HN 0.406 nan 8.290 nan 0.000 0.405 450 W N 0.330 121.616 121.300 -0.022 0.000 2.374 450 W HA -0.129 4.531 4.660 -0.000 0.000 0.288 450 W C 2.144 178.578 176.519 -0.141 0.000 1.218 450 W CA 0.233 57.555 57.345 -0.038 0.000 1.245 450 W CB -0.617 28.848 29.460 0.008 0.000 1.126 450 W HN 0.336 nan 8.180 nan 0.000 0.545 451 N N -0.247 118.424 118.700 -0.049 0.000 2.331 451 N HA -0.082 4.658 4.740 -0.000 0.000 0.180 451 N C 1.438 176.911 175.510 -0.062 0.000 1.019 451 N CA 1.622 54.557 53.050 -0.193 0.000 0.881 451 N CB -0.238 37.929 38.487 -0.532 0.000 0.972 451 N HN 0.130 nan 8.380 nan 0.000 0.435 452 T N 1.556 116.103 114.554 -0.013 0.000 2.809 452 T HA 0.091 4.441 4.350 -0.000 0.000 0.260 452 T C 2.147 176.853 174.700 0.010 0.000 1.039 452 T CA 0.411 62.514 62.100 0.005 0.000 1.141 452 T CB 0.060 68.925 68.868 -0.005 0.000 0.869 452 T HN 0.127 nan 8.240 nan 0.000 0.437 453 I N 1.099 121.700 120.570 0.051 0.000 2.179 453 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 453 I C 2.814 178.952 176.117 0.034 0.000 1.088 453 I CA 0.990 62.337 61.300 0.079 0.000 1.357 453 I CB -0.405 37.715 38.000 0.201 0.000 1.051 453 I HN 0.239 nan 8.210 nan 0.000 0.409 454 S N 0.252 115.957 115.700 0.009 0.000 2.359 454 S HA -0.205 4.265 4.470 -0.000 0.000 0.224 454 S C 2.213 176.756 174.600 -0.095 0.000 1.035 454 S CA 2.169 60.313 58.200 -0.093 0.000 1.018 454 S CB -0.191 62.919 63.200 -0.150 0.000 0.876 454 S HN 0.413 nan 8.310 nan 0.000 0.448 455 S N 0.889 116.565 115.700 -0.040 0.000 2.419 455 S HA 0.017 4.487 4.470 -0.000 0.000 0.233 455 S C 1.831 176.475 174.600 0.075 0.000 1.016 455 S CA 1.284 59.497 58.200 0.023 0.000 0.974 455 S CB -0.321 62.908 63.200 0.050 0.000 0.786 455 S HN 0.500 nan 8.310 nan 0.000 0.492 456 M N 0.882 120.489 119.600 0.011 0.000 2.132 456 M HA -0.026 4.454 4.480 -0.000 0.000 0.263 456 M C 2.456 178.790 176.300 0.056 0.000 1.065 456 M CA 1.379 56.679 55.300 -0.000 0.000 1.122 456 M CB -0.684 31.900 32.600 -0.026 0.000 1.365 456 M HN 0.455 nan 8.290 nan 0.000 0.411 457 G N -0.333 108.472 108.800 0.008 0.000 2.432 457 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 457 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 457 G C 1.577 176.474 174.900 -0.005 0.000 1.135 457 G CA 1.248 46.338 45.100 -0.018 0.000 0.767 457 G HN 0.566 nan 8.290 nan 0.000 0.550 458 S N -0.272 115.430 115.700 0.002 0.000 2.447 458 S HA 0.035 4.505 4.470 -0.000 0.000 0.233 458 S C 1.973 176.615 174.600 0.068 0.000 1.006 458 S CA 0.702 58.900 58.200 -0.003 0.000 0.957 458 S CB -0.425 62.755 63.200 -0.033 0.000 0.773 458 S HN 0.178 nan 8.310 nan 0.000 0.507 459 F N 1.444 121.373 119.950 -0.034 0.000 2.416 459 F HA 0.384 4.911 4.527 -0.000 0.000 0.296 459 F C 2.005 177.806 175.800 0.003 0.000 1.099 459 F CA -0.100 57.894 58.000 -0.010 0.000 1.427 459 F CB -0.280 38.715 39.000 -0.008 0.000 1.079 459 F HN 0.189 nan 8.300 nan 0.000 0.536 460 I N -1.116 119.553 120.570 0.166 0.000 2.179 460 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 460 I C 2.356 178.519 176.117 0.076 0.000 1.088 460 I CA 1.269 62.630 61.300 0.103 0.000 1.357 460 I CB -0.658 37.383 38.000 0.068 0.000 1.051 460 I HN -0.044 nan 8.210 nan 0.000 0.409 461 S N 0.951 116.685 115.700 0.056 0.000 2.400 461 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 461 S C 1.913 176.545 174.600 0.053 0.000 1.025 461 S CA 1.256 59.492 58.200 0.061 0.000 0.993 461 S CB -0.437 62.802 63.200 0.064 0.000 0.808 461 S HN 0.324 nan 8.310 nan 0.000 0.478 462 L N 1.933 123.158 121.223 0.004 0.000 2.042 462 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 462 L C 2.207 179.090 176.870 0.021 0.000 1.076 462 L CA 1.949 56.766 54.840 -0.039 0.000 0.749 462 L CB -1.430 40.523 42.059 -0.176 0.000 0.893 462 L HN 0.185 nan 8.230 nan 0.000 0.432 463 T N 0.053 114.640 114.554 0.054 0.000 2.720 463 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 463 T C 1.930 176.699 174.700 0.116 0.000 1.037 463 T CA 1.475 63.622 62.100 0.078 0.000 1.144 463 T CB -0.637 68.286 68.868 0.091 0.000 0.864 463 T HN 0.564 nan 8.240 nan 0.000 0.444 464 A N 1.163 124.067 122.820 0.139 0.000 1.908 464 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 464 A C 2.643 180.415 177.584 0.313 0.000 1.181 464 A CA 1.878 54.052 52.037 0.230 0.000 0.627 464 A CB -1.025 18.052 19.000 0.129 0.000 0.818 464 A HN 0.481 nan 8.150 nan 0.000 0.445 465 V N -1.517 118.515 119.914 0.197 0.000 2.719 465 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 465 V C 2.108 178.261 176.094 0.097 0.000 1.065 465 V CA 2.104 64.503 62.300 0.166 0.000 1.086 465 V CB -0.559 31.323 31.823 0.098 0.000 0.700 465 V HN 0.535 nan 8.190 nan 0.000 0.467 466 M N -0.492 119.153 119.600 0.075 0.000 2.099 466 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 466 M C 2.300 178.636 176.300 0.060 0.000 1.067 466 M CA 2.055 57.378 55.300 0.039 0.000 1.124 466 M CB -0.470 32.137 32.600 0.012 0.000 1.353 466 M HN 0.354 nan 8.290 nan 0.000 0.410 467 L N 0.293 121.573 121.223 0.094 0.000 2.043 467 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 467 L C 2.682 179.613 176.870 0.101 0.000 1.075 467 L CA 1.581 56.487 54.840 0.111 0.000 0.752 467 L CB -0.363 41.821 42.059 0.207 0.000 0.891 467 L HN 0.427 nan 8.230 nan 0.000 0.432 468 M N -1.010 118.609 119.600 0.032 0.000 2.149 468 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 468 M C 2.068 178.336 176.300 -0.053 0.000 1.064 468 M CA 1.657 56.855 55.300 -0.170 0.000 1.102 468 M CB -0.022 32.420 32.600 -0.263 0.000 1.369 468 M HN 0.096 nan 8.290 nan 0.000 0.408 469 V N 0.662 120.590 119.914 0.024 0.000 2.332 469 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 469 V C 2.167 178.339 176.094 0.128 0.000 1.055 469 V CA 2.139 64.477 62.300 0.064 0.000 1.038 469 V CB -1.083 30.778 31.823 0.062 0.000 0.651 469 V HN 0.614 nan 8.190 nan 0.000 0.450 470 F N 0.752 120.679 119.950 -0.037 0.000 2.102 470 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 470 F C 2.130 177.945 175.800 0.024 0.000 1.105 470 F CA 1.584 59.572 58.000 -0.020 0.000 1.239 470 F CB -0.376 38.521 39.000 -0.171 0.000 0.991 470 F HN 0.070 nan 8.300 nan 0.000 0.474 471 I N 0.336 120.745 120.570 -0.268 0.000 2.248 471 I HA -0.345 3.825 4.170 -0.000 0.000 0.248 471 I C 2.411 178.353 176.117 -0.292 0.000 1.107 471 I CA 1.686 62.749 61.300 -0.395 0.000 1.373 471 I CB -0.560 37.327 38.000 -0.189 0.000 1.055 471 I HN 0.218 nan 8.210 nan 0.000 0.418 472 I N -0.801 119.691 120.570 -0.129 0.000 2.353 472 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 472 I C 2.427 178.609 176.117 0.108 0.000 1.119 472 I CA 1.172 62.444 61.300 -0.048 0.000 1.417 472 I CB -0.349 37.725 38.000 0.124 0.000 1.078 472 I HN 0.391 nan 8.210 nan 0.000 0.421 473 W N 2.780 124.041 121.300 -0.065 0.000 2.353 473 W HA -0.304 4.356 4.660 -0.000 0.000 0.319 473 W C 2.550 179.005 176.519 -0.106 0.000 1.207 473 W CA 2.189 59.531 57.345 -0.005 0.000 1.291 473 W CB -0.304 29.140 29.460 -0.025 0.000 1.159 473 W HN 0.231 nan 8.180 nan 0.000 0.478 474 E N 1.096 121.066 120.200 -0.385 0.000 2.171 474 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 474 E C 1.917 178.229 176.600 -0.479 0.000 0.997 474 E CA 2.508 58.510 56.400 -0.663 0.000 0.810 474 E CB -1.101 28.207 29.700 -0.653 0.000 0.738 474 E HN 0.237 nan 8.360 nan 0.000 0.467 475 A N -0.267 122.348 122.820 -0.341 0.000 1.898 475 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 475 A C 2.005 179.385 177.584 -0.340 0.000 1.181 475 A CA 1.346 53.220 52.037 -0.271 0.000 0.620 475 A CB -0.832 18.040 19.000 -0.214 0.000 0.819 475 A HN 0.346 nan 8.150 nan 0.000 0.442 476 F N -0.086 119.747 119.950 -0.196 0.000 2.325 476 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 476 F C 2.660 178.197 175.800 -0.438 0.000 1.090 476 F CA 0.518 58.377 58.000 -0.234 0.000 1.392 476 F CB -0.389 38.592 39.000 -0.032 0.000 1.053 476 F HN 0.259 nan 8.300 nan 0.000 0.521 477 A N -1.159 121.388 122.820 -0.456 0.000 1.929 477 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 477 A C 2.365 179.698 177.584 -0.418 0.000 1.176 477 A CA 1.781 53.464 52.037 -0.590 0.000 0.628 477 A CB -0.847 17.393 19.000 -1.267 0.000 0.816 477 A HN 0.257 nan 8.150 nan 0.000 0.444 478 S N -0.850 114.608 115.700 -0.403 0.000 2.395 478 S HA 0.034 4.504 4.470 -0.000 0.000 0.225 478 S C 0.428 174.858 174.600 -0.284 0.000 1.027 478 S CA 0.709 58.742 58.200 -0.278 0.000 0.965 478 S CB -0.151 62.921 63.200 -0.213 0.000 0.812 478 S HN 0.568 nan 8.310 nan 0.000 0.482 479 K N 1.109 121.226 120.400 -0.472 0.000 3.585 479 K HA -0.148 4.172 4.320 -0.000 0.000 0.275 479 K C -1.101 175.366 176.600 -0.222 0.000 1.026 479 K CA 0.270 56.178 56.287 -0.632 0.000 0.800 479 K CB -1.096 31.150 32.500 -0.423 0.000 1.401 479 K HN 0.375 nan 8.250 nan 0.000 0.453 480 R N 1.702 122.141 120.500 -0.103 0.000 2.204 480 R HA 0.182 4.522 4.340 -0.000 0.000 0.341 480 R C -0.034 176.383 176.300 0.195 0.000 1.035 480 R CA -0.501 55.625 56.100 0.042 0.000 0.887 480 R CB 0.798 31.115 30.300 0.028 0.000 1.114 480 R HN 0.254 nan 8.270 nan 0.000 0.473 481 E N 1.559 121.886 120.200 0.211 0.000 2.373 481 E HA 0.125 4.475 4.350 -0.000 0.000 0.263 481 E C -0.147 176.511 176.600 0.097 0.000 1.073 481 E CA -0.537 55.984 56.400 0.202 0.000 0.894 481 E CB 1.219 31.012 29.700 0.155 0.000 1.008 481 E HN 0.168 nan 8.360 nan 0.000 0.420 482 V N 3.434 123.379 119.914 0.052 0.000 2.686 482 V HA 0.003 4.123 4.120 -0.000 0.000 0.295 482 V C 1.001 177.111 176.094 0.026 0.000 1.055 482 V CA 0.329 62.648 62.300 0.032 0.000 1.050 482 V CB 0.837 32.674 31.823 0.023 0.000 0.984 482 V HN 0.648 nan 8.190 nan 0.000 0.482 483 L N 2.620 123.853 121.223 0.017 0.000 2.630 483 L HA 0.258 4.598 4.340 -0.000 0.000 0.180 483 L C 1.006 177.879 176.870 0.004 0.000 1.221 483 L CA 0.611 55.459 54.840 0.013 0.000 0.853 483 L CB 0.258 42.323 42.059 0.010 0.000 1.172 483 L HN 0.815 nan 8.230 nan 0.000 0.508 484 T N -1.592 112.954 114.554 -0.013 0.000 2.908 484 T HA 0.685 5.035 4.350 -0.000 0.000 0.290 484 T C -0.663 173.993 174.700 -0.072 0.000 1.034 484 T CA -0.605 61.479 62.100 -0.028 0.000 1.010 484 T CB 2.385 71.237 68.868 -0.028 0.000 1.068 484 T HN -0.134 nan 8.240 nan 0.000 0.481 485 V N 1.881 121.734 119.914 -0.103 0.000 2.680 485 V HA 0.456 4.576 4.120 -0.000 0.000 0.309 485 V C -0.516 175.460 176.094 -0.197 0.000 1.052 485 V CA -0.915 61.246 62.300 -0.231 0.000 0.908 485 V CB 1.914 33.515 31.823 -0.369 0.000 1.001 485 V HN 0.971 nan 8.190 nan 0.000 0.431 486 D N 2.164 122.434 120.400 -0.217 0.000 2.354 486 D HA 0.547 5.187 4.640 -0.000 0.000 0.247 486 D C 0.600 176.768 176.300 -0.219 0.000 1.138 486 D CA -0.132 53.741 54.000 -0.213 0.000 0.958 486 D CB 0.558 41.184 40.800 -0.291 0.000 1.144 486 D HN 0.507 nan 8.370 nan 0.000 0.458 487 L N 0.218 121.319 121.223 -0.204 0.000 3.742 487 L HA -0.279 4.061 4.340 -0.000 0.000 0.431 487 L C 1.468 178.345 176.870 0.013 0.000 1.220 487 L CA 0.562 55.317 54.840 -0.141 0.000 0.863 487 L CB -2.149 39.718 42.059 -0.319 0.000 1.751 487 L HN 0.609 nan 8.230 nan 0.000 0.922 488 T N -5.964 108.609 114.554 0.031 0.000 2.995 488 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 488 T C 1.774 176.560 174.700 0.143 0.000 1.091 488 T CA 1.180 63.358 62.100 0.130 0.000 1.128 488 T CB -0.337 68.605 68.868 0.123 0.000 0.891 488 T HN 0.625 nan 8.240 nan 0.000 0.492 489 T N 1.185 115.791 114.554 0.087 0.000 2.803 489 T HA -0.124 4.226 4.350 -0.000 0.000 0.269 489 T C 1.848 176.610 174.700 0.103 0.000 1.052 489 T CA 1.621 63.772 62.100 0.084 0.000 1.136 489 T CB -1.049 67.846 68.868 0.045 0.000 0.864 489 T HN 0.639 nan 8.240 nan 0.000 0.467 490 T N -1.212 113.409 114.554 0.113 0.000 3.174 490 T HA 0.330 4.680 4.350 -0.000 0.000 0.269 490 T C 0.240 175.064 174.700 0.207 0.000 1.017 490 T CA -0.784 61.392 62.100 0.127 0.000 0.899 490 T CB -0.075 68.840 68.868 0.079 0.000 1.077 490 T HN 0.278 nan 8.240 nan 0.000 0.552 491 N N 1.370 120.237 118.700 0.279 0.000 2.726 491 N HA 0.252 4.992 4.740 -0.000 0.000 0.253 491 N C 0.680 176.457 175.510 0.445 0.000 1.530 491 N CA -0.215 53.091 53.050 0.428 0.000 0.772 491 N CB 1.362 40.201 38.487 0.586 0.000 1.220 491 N HN 0.133 nan 8.380 nan 0.000 0.508 492 L N 1.207 122.630 121.223 0.333 0.000 2.103 492 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 492 L C 2.534 179.597 176.870 0.322 0.000 1.080 492 L CA 1.816 56.841 54.840 0.308 0.000 0.764 492 L CB 0.108 42.319 42.059 0.253 0.000 0.890 492 L HN 0.480 nan 8.230 nan 0.000 0.435 493 E N -0.818 119.543 120.200 0.269 0.000 2.209 493 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 493 E C 1.740 178.370 176.600 0.051 0.000 0.993 493 E CA 1.612 58.085 56.400 0.122 0.000 0.819 493 E CB -0.698 28.974 29.700 -0.047 0.000 0.745 493 E HN 0.645 nan 8.360 nan 0.000 0.477 494 W N 1.051 122.460 121.300 0.183 0.000 2.658 494 W HA 0.278 4.938 4.660 -0.000 0.000 0.263 494 W C 2.278 178.856 176.519 0.097 0.000 1.274 494 W CA -0.242 57.172 57.345 0.116 0.000 1.343 494 W CB -0.218 29.295 29.460 0.089 0.000 1.106 494 W HN -0.053 nan 8.180 nan 0.000 0.615 495 L N 0.975 122.394 121.223 0.326 0.000 2.263 495 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 495 L C 1.307 178.251 176.870 0.123 0.000 1.111 495 L CA 1.129 56.094 54.840 0.209 0.000 0.773 495 L CB -0.474 41.703 42.059 0.198 0.000 0.906 495 L HN 0.147 nan 8.230 nan 0.000 0.439 496 N N 0.027 118.785 118.700 0.097 0.000 2.276 496 N HA 0.119 4.859 4.740 -0.000 0.000 0.212 496 N C 0.712 176.256 175.510 0.057 0.000 1.127 496 N CA 0.722 53.784 53.050 0.021 0.000 0.834 496 N CB 0.738 39.185 38.487 -0.068 0.000 1.014 496 N HN 0.371 nan 8.380 nan 0.000 0.491 497 G N 0.588 109.454 108.800 0.109 0.000 2.795 497 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.664 497 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.664 497 G C -0.722 174.240 174.900 0.103 0.000 1.381 497 G CA -0.812 44.350 45.100 0.103 0.000 0.853 497 G HN 0.299 nan 8.290 nan 0.000 0.545 498 C N 2.489 121.835 119.300 0.077 0.000 2.322 498 C HA 0.742 5.202 4.460 -0.000 0.000 0.324 498 C C -1.366 173.603 174.990 -0.036 0.000 1.249 498 C CA -0.927 58.108 59.018 0.028 0.000 1.453 498 C CB 1.170 28.940 27.740 0.050 0.000 2.145 498 C HN 0.840 nan 8.230 nan 0.000 0.466 499 P HA 0.410 nan 4.420 nan 0.000 0.282 499 P C -2.633 174.719 177.300 0.086 0.000 1.259 499 P CA -1.340 61.784 63.100 0.041 0.000 0.826 499 P CB 0.557 32.306 31.700 0.082 0.000 1.064 500 P HA 0.184 nan 4.420 nan 0.000 0.272 500 P C -2.256 175.081 177.300 0.061 0.000 1.223 500 P CA -1.275 61.884 63.100 0.098 0.000 0.784 500 P CB -0.886 30.898 31.700 0.140 0.000 0.923 501 P HA -0.055 nan 4.420 nan 0.000 0.271 501 P C 0.762 178.065 177.300 0.005 0.000 1.233 501 P CA -0.058 63.060 63.100 0.031 0.000 0.789 501 P CB 0.468 32.186 31.700 0.030 0.000 0.951 502 Y N 1.370 121.581 120.300 -0.148 0.000 2.069 502 Y HA -0.234 4.316 4.550 -0.000 0.000 0.278 502 Y C 1.000 176.697 175.900 -0.339 0.000 1.175 502 Y CA 1.883 59.801 58.100 -0.304 0.000 1.134 502 Y CB -0.647 37.598 38.460 -0.357 0.000 0.965 502 Y HN 0.425 nan 8.280 nan 0.000 0.498 503 H N -0.319 118.777 119.070 0.043 0.000 2.541 503 H HA 0.362 4.918 4.556 -0.000 0.000 0.316 503 H C -0.194 175.118 175.328 -0.026 0.000 1.043 503 H CA -0.292 55.749 56.048 -0.012 0.000 1.232 503 H CB 0.892 30.685 29.762 0.052 0.000 1.406 503 H HN 0.044 nan 8.280 nan 0.000 0.469 504 T N -0.131 114.489 114.554 0.109 0.000 2.940 504 T HA 0.294 4.644 4.350 -0.000 0.000 0.288 504 T C -0.021 174.701 174.700 0.036 0.000 1.033 504 T CA -0.926 61.137 62.100 -0.061 0.000 1.033 504 T CB 0.884 69.707 68.868 -0.075 0.000 1.079 504 T HN 0.565 nan 8.240 nan 0.000 0.496 505 F N -1.061 118.924 119.950 0.059 0.000 3.090 505 F HA -0.193 4.334 4.527 -0.000 0.000 0.282 505 F C 1.350 177.160 175.800 0.017 0.000 0.923 505 F CA 0.575 58.596 58.000 0.035 0.000 0.977 505 F CB -2.375 36.637 39.000 0.020 0.000 0.954 505 F HN 0.838 nan 8.300 nan 0.000 0.695 506 E N 0.518 120.763 120.200 0.076 0.000 2.153 506 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 506 E C 1.050 177.675 176.600 0.042 0.000 0.988 506 E CA 1.377 57.796 56.400 0.030 0.000 0.811 506 E CB 0.167 29.864 29.700 -0.005 0.000 0.746 506 E HN 0.619 nan 8.360 nan 0.000 0.466 507 E N 0.556 120.795 120.200 0.065 0.000 2.165 507 E HA 0.241 4.591 4.350 -0.000 0.000 0.266 507 E C -2.502 174.182 176.600 0.139 0.000 0.889 507 E CA -2.717 53.728 56.400 0.074 0.000 0.756 507 E CB 1.284 31.016 29.700 0.054 0.000 1.131 507 E HN -0.126 nan 8.360 nan 0.000 0.411 508 P HA -0.038 nan 4.420 nan 0.000 0.270 508 P C -0.325 177.094 177.300 0.199 0.000 1.221 508 P CA -0.110 63.087 63.100 0.161 0.000 0.788 508 P CB 0.398 32.145 31.700 0.077 0.000 0.904 509 T N -1.536 113.138 114.554 0.199 0.000 2.726 509 T HA 0.212 4.562 4.350 -0.000 0.000 0.294 509 T C -0.754 174.052 174.700 0.175 0.000 1.013 509 T CA -0.161 62.064 62.100 0.208 0.000 0.996 509 T CB 0.156 69.118 68.868 0.156 0.000 1.016 509 T HN 0.350 nan 8.240 nan 0.000 0.529 510 Y N 0.158 120.495 120.300 0.061 0.000 2.326 510 Y HA 0.566 5.116 4.550 -0.000 0.000 0.331 510 Y C -1.518 174.401 175.900 0.032 0.000 0.962 510 Y CA -1.126 56.997 58.100 0.039 0.000 1.167 510 Y CB 1.160 39.643 38.460 0.038 0.000 1.148 510 Y HN 0.576 nan 8.280 nan 0.000 0.463 511 V N 6.385 126.067 119.914 -0.386 0.000 2.482 511 V HA 0.285 4.405 4.120 -0.000 0.000 0.295 511 V C -0.454 175.409 176.094 -0.385 0.000 1.026 511 V CA -1.181 60.965 62.300 -0.257 0.000 0.856 511 V CB 1.503 33.257 31.823 -0.114 0.000 1.001 511 V HN 0.860 nan 8.190 nan 0.000 0.424 512 N N 2.470 120.997 118.700 -0.289 0.000 2.479 512 N HA 0.275 5.015 4.740 -0.000 0.000 0.257 512 N C -0.537 174.906 175.510 -0.111 0.000 1.232 512 N CA -0.558 52.374 53.050 -0.197 0.000 0.920 512 N CB 0.905 39.377 38.487 -0.024 0.000 1.105 512 N HN 0.486 nan 8.380 nan 0.000 0.444 513 L N 3.415 124.584 121.223 -0.090 0.000 2.397 513 L HA 0.207 4.547 4.340 -0.000 0.000 0.263 513 L C 0.091 176.948 176.870 -0.023 0.000 1.136 513 L CA -0.053 54.756 54.840 -0.052 0.000 1.019 513 L CB -0.573 41.456 42.059 -0.050 0.000 1.352 513 L HN 0.388 nan 8.230 nan 0.000 0.420 514 K N 0.000 120.393 120.400 -0.012 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.289 56.287 0.003 0.000 0.838 514 K CB 0.000 32.505 32.500 0.009 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543