REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1occ_1_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 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.620 32.600 0.034 0.000 1.302 2 F N 2.814 122.757 119.950 -0.011 0.000 2.102 2 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 2 F C 2.014 177.835 175.800 0.037 0.000 1.105 2 F CA 1.866 59.931 58.000 0.108 0.000 1.239 2 F CB -0.080 38.980 39.000 0.100 0.000 0.991 2 F HN 0.141 nan 8.300 nan 0.000 0.474 3 I N 1.079 121.691 120.570 0.071 0.000 2.069 3 I HA -0.373 3.797 4.170 -0.000 0.000 0.237 3 I C 2.001 177.777 176.117 -0.568 0.000 1.053 3 I CA 1.917 63.046 61.300 -0.284 0.000 1.311 3 I CB -1.816 35.931 38.000 -0.421 0.000 1.030 3 I HN 0.208 nan 8.210 nan 0.000 0.398 4 N N 0.245 118.669 118.700 -0.460 0.000 2.192 4 N HA -0.229 4.511 4.740 -0.000 0.000 0.188 4 N C 1.960 177.321 175.510 -0.249 0.000 1.013 4 N CA 1.368 54.236 53.050 -0.303 0.000 0.863 4 N CB -0.248 38.164 38.487 -0.124 0.000 0.990 4 N HN 0.327 nan 8.380 nan 0.000 0.430 5 R N -0.838 119.444 120.500 -0.363 0.000 2.066 5 R HA 0.000 4.340 4.340 -0.000 0.000 0.224 5 R C 1.142 176.955 176.300 -0.813 0.000 1.122 5 R CA 1.098 56.836 56.100 -0.603 0.000 0.974 5 R CB -0.106 29.728 30.300 -0.776 0.000 0.871 5 R HN 0.290 nan 8.270 nan 0.000 0.435 6 W N -0.343 120.732 121.300 -0.374 0.000 2.812 6 W HA 0.236 4.896 4.660 -0.000 0.000 0.263 6 W C 1.466 177.978 176.519 -0.011 0.000 1.284 6 W CA -0.191 56.963 57.345 -0.319 0.000 1.430 6 W CB 0.414 29.432 29.460 -0.737 0.000 1.088 6 W HN 0.029 nan 8.180 nan 0.000 0.623 7 L N -1.522 119.732 121.223 0.053 0.000 2.537 7 L HA 0.162 4.502 4.340 -0.000 0.000 0.224 7 L C 0.709 177.800 176.870 0.368 0.000 1.065 7 L CA 0.457 55.366 54.840 0.115 0.000 0.860 7 L CB -0.234 41.725 42.059 -0.168 0.000 1.086 7 L HN -0.112 nan 8.230 nan 0.000 0.482 8 F N 0.058 119.991 119.950 -0.028 0.000 2.772 8 F HA 0.293 4.820 4.527 -0.000 0.000 0.302 8 F C 1.356 177.138 175.800 -0.030 0.000 1.136 8 F CA -1.136 56.842 58.000 -0.037 0.000 1.322 8 F CB -0.758 38.209 39.000 -0.054 0.000 0.967 8 F HN -0.183 nan 8.300 nan 0.000 0.513 9 S N 0.966 116.749 115.700 0.139 0.000 2.569 9 S HA 0.224 4.694 4.470 -0.000 0.000 0.274 9 S C 1.078 175.688 174.600 0.017 0.000 1.353 9 S CA 0.939 59.141 58.200 0.004 0.000 1.023 9 S CB 0.373 63.509 63.200 -0.108 0.000 0.876 9 S HN 0.516 nan 8.310 nan 0.000 0.540 10 T N 0.192 114.718 114.554 -0.047 0.000 3.769 10 T HA 0.259 4.609 4.350 -0.000 0.000 0.317 10 T C -0.649 173.968 174.700 -0.138 0.000 0.931 10 T CA -0.667 61.406 62.100 -0.045 0.000 1.005 10 T CB -0.761 68.107 68.868 0.001 0.000 1.202 10 T HN 0.487 nan 8.240 nan 0.000 0.501 11 N N 1.949 120.490 118.700 -0.265 0.000 2.407 11 N HA 0.270 5.010 4.740 -0.000 0.000 0.277 11 N C 1.370 176.607 175.510 -0.455 0.000 0.995 11 N CA -0.696 52.061 53.050 -0.488 0.000 0.903 11 N CB 0.977 38.936 38.487 -0.879 0.000 1.218 11 N HN 0.362 nan 8.380 nan 0.000 0.487 12 H N 3.531 122.356 119.070 -0.409 0.000 2.387 12 H HA -0.097 4.459 4.556 -0.000 0.000 0.299 12 H C 0.384 175.365 175.328 -0.577 0.000 1.099 12 H CA 1.447 57.268 56.048 -0.379 0.000 1.315 12 H CB 0.256 29.844 29.762 -0.290 0.000 1.380 12 H HN 0.506 nan 8.280 nan 0.000 0.513 13 K N 0.439 119.969 120.400 -1.449 0.000 2.025 13 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 13 K C 1.953 177.865 176.600 -1.148 0.000 1.049 13 K CA 1.412 56.658 56.287 -1.735 0.000 0.933 13 K CB 0.114 31.587 32.500 -1.712 0.000 0.714 13 K HN 0.235 nan 8.250 nan 0.000 0.438 14 D N 1.032 120.982 120.400 -0.750 0.000 2.144 14 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 14 D C 1.917 178.051 176.300 -0.277 0.000 0.978 14 D CA 0.952 54.691 54.000 -0.436 0.000 0.833 14 D CB -0.149 40.243 40.800 -0.680 0.000 0.961 14 D HN 0.157 nan 8.370 nan 0.000 0.470 15 I N 0.871 121.239 120.570 -0.337 0.000 2.202 15 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 15 I C 2.548 178.562 176.117 -0.172 0.000 1.091 15 I CA 1.289 62.426 61.300 -0.271 0.000 1.368 15 I CB -0.481 37.437 38.000 -0.136 0.000 1.058 15 I HN 0.012 nan 8.210 nan 0.000 0.410 16 G N 0.152 108.843 108.800 -0.181 0.000 2.442 16 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 16 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 16 G C 1.656 176.589 174.900 0.056 0.000 1.141 16 G CA 1.503 46.578 45.100 -0.042 0.000 0.763 16 G HN 0.300 nan 8.290 nan 0.000 0.554 17 T N 1.069 115.622 114.554 -0.002 0.000 2.812 17 T HA -0.026 4.324 4.350 -0.000 0.000 0.264 17 T C 2.268 176.970 174.700 0.004 0.000 1.042 17 T CA 0.608 62.809 62.100 0.167 0.000 1.140 17 T CB -0.168 68.873 68.868 0.289 0.000 0.870 17 T HN 0.037 nan 8.240 nan 0.000 0.445 18 L N 0.314 121.429 121.223 -0.180 0.000 2.042 18 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 18 L C 2.046 178.597 176.870 -0.532 0.000 1.076 18 L CA 1.617 56.123 54.840 -0.557 0.000 0.749 18 L CB -1.213 40.128 42.059 -1.197 0.000 0.893 18 L HN 0.307 nan 8.230 nan 0.000 0.432 19 Y N -0.697 119.387 120.300 -0.359 0.000 2.089 19 Y HA -0.238 4.312 4.550 -0.000 0.000 0.282 19 Y C 2.481 178.452 175.900 0.117 0.000 1.139 19 Y CA 1.521 59.617 58.100 -0.008 0.000 1.123 19 Y CB -0.598 37.878 38.460 0.026 0.000 0.980 19 Y HN 0.044 nan 8.280 nan 0.000 0.493 20 L N -0.650 120.699 121.223 0.209 0.000 2.081 20 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 20 L C 2.323 179.300 176.870 0.177 0.000 1.080 20 L CA 1.252 56.178 54.840 0.143 0.000 0.754 20 L CB -0.777 41.321 42.059 0.065 0.000 0.893 20 L HN 0.307 nan 8.230 nan 0.000 0.433 21 L N -1.526 119.793 121.223 0.159 0.000 2.027 21 L HA -0.235 4.105 4.340 -0.000 0.000 0.206 21 L C 2.564 179.582 176.870 0.247 0.000 1.074 21 L CA 1.330 56.265 54.840 0.159 0.000 0.745 21 L CB -0.477 41.623 42.059 0.069 0.000 0.898 21 L HN 0.179 nan 8.230 nan 0.000 0.433 22 F N 0.804 120.849 119.950 0.159 0.000 2.075 22 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 22 F C 2.277 178.251 175.800 0.289 0.000 1.113 22 F CA 1.726 59.870 58.000 0.239 0.000 1.218 22 F CB -0.594 38.596 39.000 0.316 0.000 0.984 22 F HN -0.004 nan 8.300 nan 0.000 0.472 23 G N -0.311 108.764 108.800 0.459 0.000 2.440 23 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 23 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 23 G C 1.795 176.792 174.900 0.162 0.000 1.154 23 G CA 0.938 46.215 45.100 0.295 0.000 0.767 23 G HN 0.632 nan 8.290 nan 0.000 0.552 24 A N -0.065 122.845 122.820 0.150 0.000 1.877 24 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 24 A C 2.180 179.845 177.584 0.135 0.000 1.186 24 A CA 1.648 53.741 52.037 0.094 0.000 0.620 24 A CB -0.846 18.200 19.000 0.077 0.000 0.822 24 A HN 0.554 nan 8.150 nan 0.000 0.443 25 W N 0.517 121.805 121.300 -0.019 0.000 2.335 25 W HA -0.152 4.508 4.660 -0.000 0.000 0.311 25 W C 2.525 179.028 176.519 -0.027 0.000 1.213 25 W CA 2.470 59.798 57.345 -0.027 0.000 1.274 25 W CB -0.193 29.241 29.460 -0.044 0.000 1.148 25 W HN 0.364 nan 8.180 nan 0.000 0.498 26 A N 0.408 123.365 122.820 0.228 0.000 1.978 26 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 26 A C 2.172 179.760 177.584 0.007 0.000 1.170 26 A CA 1.930 54.017 52.037 0.085 0.000 0.636 26 A CB -1.694 17.221 19.000 -0.142 0.000 0.810 26 A HN 0.436 nan 8.150 nan 0.000 0.448 27 G N -1.132 107.678 108.800 0.016 0.000 2.448 27 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 27 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 27 G C 1.435 176.312 174.900 -0.038 0.000 1.127 27 G CA 1.193 46.297 45.100 0.007 0.000 0.766 27 G HN 0.365 nan 8.290 nan 0.000 0.552 28 M N 0.422 119.946 119.600 -0.126 0.000 2.123 28 M HA 0.027 4.507 4.480 -0.000 0.000 0.263 28 M C 2.808 178.995 176.300 -0.189 0.000 1.069 28 M CA 0.707 55.896 55.300 -0.185 0.000 1.133 28 M CB -1.234 31.179 32.600 -0.311 0.000 1.356 28 M HN 0.099 nan 8.290 nan 0.000 0.415 29 V N 0.690 120.445 119.914 -0.266 0.000 2.282 29 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 29 V C 2.664 178.760 176.094 0.004 0.000 1.057 29 V CA 2.215 64.421 62.300 -0.157 0.000 1.032 29 V CB -1.926 29.856 31.823 -0.068 0.000 0.645 29 V HN 0.591 nan 8.190 nan 0.000 0.447 30 G N -0.761 108.073 108.800 0.057 0.000 2.432 30 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 30 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 30 G C 1.667 176.665 174.900 0.163 0.000 1.135 30 G CA 1.488 46.670 45.100 0.138 0.000 0.767 30 G HN 0.490 nan 8.290 nan 0.000 0.550 31 T N 1.539 116.136 114.554 0.072 0.000 2.777 31 T HA 0.075 4.425 4.350 -0.000 0.000 0.266 31 T C 2.839 177.538 174.700 -0.003 0.000 1.040 31 T CA 1.332 63.461 62.100 0.048 0.000 1.141 31 T CB -0.323 68.549 68.868 0.007 0.000 0.868 31 T HN 0.362 nan 8.240 nan 0.000 0.444 32 A N 1.463 124.266 122.820 -0.029 0.000 1.883 32 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 32 A C 2.290 179.856 177.584 -0.031 0.000 1.186 32 A CA 1.298 53.304 52.037 -0.051 0.000 0.624 32 A CB -0.915 18.047 19.000 -0.064 0.000 0.822 32 A HN 0.478 nan 8.150 nan 0.000 0.444 33 L N 0.499 121.730 121.223 0.014 0.000 2.083 33 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 33 L C 2.949 179.776 176.870 -0.071 0.000 1.083 33 L CA 1.600 56.450 54.840 0.017 0.000 0.752 33 L CB -0.547 41.577 42.059 0.109 0.000 0.899 33 L HN 0.593 nan 8.230 nan 0.000 0.433 34 S N -0.398 115.254 115.700 -0.080 0.000 2.423 34 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 34 S C 1.878 176.384 174.600 -0.157 0.000 1.014 34 S CA 0.756 58.801 58.200 -0.258 0.000 0.965 34 S CB -0.451 62.684 63.200 -0.108 0.000 0.785 34 S HN 0.285 nan 8.310 nan 0.000 0.495 35 L N 0.531 121.679 121.223 -0.125 0.000 2.131 35 L HA 0.222 4.562 4.340 -0.000 0.000 0.206 35 L C 2.402 179.231 176.870 -0.069 0.000 1.087 35 L CA 0.784 55.525 54.840 -0.165 0.000 0.767 35 L CB -0.356 41.547 42.059 -0.260 0.000 0.917 35 L HN 0.282 nan 8.230 nan 0.000 0.441 36 L N -0.933 120.270 121.223 -0.033 0.000 2.093 36 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 36 L C 2.348 179.269 176.870 0.085 0.000 1.085 36 L CA 1.230 56.089 54.840 0.032 0.000 0.755 36 L CB -0.400 41.674 42.059 0.025 0.000 0.904 36 L HN 0.212 nan 8.230 nan 0.000 0.435 37 I N -0.642 119.946 120.570 0.030 0.000 2.127 37 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 37 I C 2.591 178.821 176.117 0.189 0.000 1.075 37 I CA 1.120 62.491 61.300 0.119 0.000 1.334 37 I CB -0.343 37.625 38.000 -0.053 0.000 1.040 37 I HN 0.239 nan 8.210 nan 0.000 0.405 38 R N 0.868 121.418 120.500 0.085 0.000 2.189 38 R HA 0.032 4.372 4.340 -0.000 0.000 0.218 38 R C 2.175 178.575 176.300 0.167 0.000 1.074 38 R CA 1.129 57.294 56.100 0.109 0.000 0.991 38 R CB -0.941 29.389 30.300 0.051 0.000 0.883 38 R HN 0.390 nan 8.270 nan 0.000 0.457 39 A N 1.077 123.999 122.820 0.169 0.000 1.898 39 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 39 A C 2.136 179.815 177.584 0.159 0.000 1.181 39 A CA 1.613 53.769 52.037 0.199 0.000 0.620 39 A CB -0.298 18.807 19.000 0.174 0.000 0.819 39 A HN 0.246 nan 8.150 nan 0.000 0.442 40 E N 0.251 120.554 120.200 0.171 0.000 2.110 40 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 40 E C 1.471 178.136 176.600 0.108 0.000 0.988 40 E CA 1.205 57.689 56.400 0.140 0.000 0.804 40 E CB -0.332 29.504 29.700 0.228 0.000 0.745 40 E HN 0.578 nan 8.360 nan 0.000 0.458 41 L N -0.849 120.474 121.223 0.168 0.000 2.607 41 L HA 0.314 4.654 4.340 -0.000 0.000 0.228 41 L C 1.838 178.852 176.870 0.240 0.000 1.123 41 L CA 0.326 55.305 54.840 0.233 0.000 0.890 41 L CB 0.301 42.480 42.059 0.201 0.000 1.103 41 L HN 0.182 nan 8.230 nan 0.000 0.468 42 G N -0.566 108.335 108.800 0.169 0.000 2.920 42 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.208 42 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.208 42 G C 0.411 175.382 174.900 0.120 0.000 1.159 42 G CA 0.111 45.293 45.100 0.135 0.000 0.784 42 G HN 0.340 nan 8.290 nan 0.000 0.535 43 Q N 0.028 119.906 119.800 0.130 0.000 2.352 43 Q HA 0.286 4.626 4.340 -0.000 0.000 0.270 43 Q C -2.913 173.091 176.000 0.006 0.000 1.006 43 Q CA -1.834 54.013 55.803 0.074 0.000 0.880 43 Q CB 3.045 31.796 28.738 0.022 0.000 1.392 43 Q HN -0.022 nan 8.270 nan 0.000 0.401 44 P HA 0.238 nan 4.420 nan 0.000 0.263 44 P C 0.014 177.188 177.300 -0.210 0.000 1.195 44 P CA 0.958 63.893 63.100 -0.274 0.000 0.762 44 P CB 0.650 32.252 31.700 -0.162 0.000 0.799 45 G N 2.418 111.054 108.800 -0.273 0.000 2.334 45 G HA2 0.202 4.162 3.960 -0.000 0.000 0.315 45 G HA3 0.202 4.162 3.960 -0.000 0.000 0.315 45 G C -1.058 173.752 174.900 -0.150 0.000 1.284 45 G CA -0.305 44.692 45.100 -0.171 0.000 0.985 45 G HN 0.727 nan 8.290 nan 0.000 0.504 46 T N -1.284 113.211 114.554 -0.098 0.000 2.792 46 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 46 T C 0.795 175.476 174.700 -0.032 0.000 0.990 46 T CA -0.025 62.032 62.100 -0.073 0.000 0.960 46 T CB 1.892 70.722 68.868 -0.063 0.000 0.939 46 T HN 1.354 nan 8.240 nan 0.000 0.439 47 L N 3.371 124.590 121.223 -0.006 0.000 2.262 47 L HA 0.443 4.783 4.340 -0.000 0.000 0.197 47 L C 1.871 178.763 176.870 0.037 0.000 1.073 47 L CA 0.864 55.718 54.840 0.022 0.000 0.800 47 L CB -0.645 41.441 42.059 0.046 0.000 0.987 47 L HN 0.795 nan 8.230 nan 0.000 0.470 48 L N -1.128 120.131 121.223 0.060 0.000 2.071 48 L HA 0.360 4.700 4.340 -0.000 0.000 0.201 48 L C 1.351 178.255 176.870 0.056 0.000 1.076 48 L CA 0.735 55.619 54.840 0.074 0.000 0.755 48 L CB -0.695 41.440 42.059 0.126 0.000 0.915 48 L HN 0.498 nan 8.230 nan 0.000 0.445 49 G N -0.694 108.138 108.800 0.052 0.000 2.491 49 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.183 49 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.183 49 G C -1.766 173.153 174.900 0.031 0.000 1.221 49 G CA -0.132 44.987 45.100 0.033 0.000 0.996 49 G HN 0.185 nan 8.290 nan 0.000 0.474 50 D N 0.618 121.039 120.400 0.035 0.000 2.368 50 D HA 0.222 4.862 4.640 -0.000 0.000 0.240 50 D C 0.294 176.646 176.300 0.087 0.000 1.169 50 D CA -0.101 53.918 54.000 0.032 0.000 0.906 50 D CB 0.550 41.362 40.800 0.021 0.000 1.187 50 D HN 0.256 nan 8.370 nan 0.000 0.435 51 D N -0.088 120.359 120.400 0.078 0.000 2.393 51 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 51 D C 1.461 177.879 176.300 0.195 0.000 0.974 51 D CA 0.934 55.037 54.000 0.172 0.000 0.931 51 D CB 0.058 40.931 40.800 0.122 0.000 0.889 51 D HN 0.481 nan 8.370 nan 0.000 0.512 52 Q N 0.429 120.309 119.800 0.133 0.000 1.984 52 Q HA -0.044 4.296 4.340 -0.000 0.000 0.196 52 Q C 2.004 178.082 176.000 0.130 0.000 0.975 52 Q CA 0.547 56.422 55.803 0.120 0.000 0.827 52 Q CB -0.467 28.311 28.738 0.066 0.000 0.894 52 Q HN 0.201 nan 8.270 nan 0.000 0.438 53 I N 0.280 120.922 120.570 0.120 0.000 2.264 53 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 53 I C 1.954 178.151 176.117 0.134 0.000 1.111 53 I CA 1.401 62.768 61.300 0.112 0.000 1.382 53 I CB -0.552 37.508 38.000 0.099 0.000 1.060 53 I HN 0.437 nan 8.210 nan 0.000 0.418 54 Y N 1.438 121.777 120.300 0.066 0.000 2.133 54 Y HA -0.223 4.327 4.550 -0.000 0.000 0.287 54 Y C 2.346 178.300 175.900 0.090 0.000 1.134 54 Y CA 2.059 60.205 58.100 0.075 0.000 1.133 54 Y CB -0.597 37.910 38.460 0.078 0.000 0.987 54 Y HN 0.222 nan 8.280 nan 0.000 0.502 55 N N -0.089 118.643 118.700 0.054 0.000 2.453 55 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 55 N C 1.902 177.403 175.510 -0.014 0.000 1.041 55 N CA 1.154 54.196 53.050 -0.014 0.000 0.900 55 N CB -0.161 38.403 38.487 0.129 0.000 0.961 55 N HN 0.304 nan 8.380 nan 0.000 0.443 56 V N 0.585 120.517 119.914 0.030 0.000 2.307 56 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 56 V C 2.401 178.507 176.094 0.020 0.000 1.045 56 V CA 1.052 63.387 62.300 0.057 0.000 1.024 56 V CB -0.302 31.570 31.823 0.083 0.000 0.651 56 V HN 0.031 nan 8.190 nan 0.000 0.449 57 V N -0.390 119.499 119.914 -0.041 0.000 2.295 57 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 57 V C 2.431 178.473 176.094 -0.086 0.000 1.049 57 V CA 2.036 64.298 62.300 -0.064 0.000 1.024 57 V CB -0.424 31.329 31.823 -0.117 0.000 0.648 57 V HN 0.400 nan 8.190 nan 0.000 0.447 58 V N -0.131 119.653 119.914 -0.216 0.000 2.392 58 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 58 V C 2.545 178.643 176.094 0.007 0.000 1.059 58 V CA 2.651 64.876 62.300 -0.126 0.000 1.051 58 V CB -0.919 30.792 31.823 -0.186 0.000 0.658 58 V HN 0.642 nan 8.190 nan 0.000 0.455 59 T N 0.223 114.765 114.554 -0.020 0.000 2.737 59 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 59 T C 2.056 176.741 174.700 -0.025 0.000 1.038 59 T CA 1.558 63.616 62.100 -0.069 0.000 1.144 59 T CB -0.413 68.445 68.868 -0.017 0.000 0.866 59 T HN 0.572 nan 8.240 nan 0.000 0.434 60 A N 1.108 124.009 122.820 0.135 0.000 1.933 60 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 60 A C 1.986 179.714 177.584 0.240 0.000 1.175 60 A CA 2.213 54.405 52.037 0.258 0.000 0.628 60 A CB -0.920 18.219 19.000 0.231 0.000 0.814 60 A HN 0.682 nan 8.150 nan 0.000 0.444 61 H N 0.301 119.407 119.070 0.059 0.000 2.290 61 H HA -0.042 4.514 4.556 -0.000 0.000 0.298 61 H C 2.142 177.478 175.328 0.013 0.000 1.087 61 H CA 2.285 58.360 56.048 0.045 0.000 1.291 61 H CB -0.392 29.381 29.762 0.018 0.000 1.369 61 H HN 0.363 nan 8.280 nan 0.000 0.492 62 A N 0.051 122.777 122.820 -0.157 0.000 1.858 62 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 62 A C 2.239 179.712 177.584 -0.186 0.000 1.190 62 A CA 1.531 53.322 52.037 -0.409 0.000 0.617 62 A CB -1.097 17.582 19.000 -0.534 0.000 0.827 62 A HN 0.444 nan 8.150 nan 0.000 0.443 63 F N 0.036 120.054 119.950 0.113 0.000 2.126 63 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 63 F C 2.545 178.480 175.800 0.225 0.000 1.096 63 F CA 1.007 59.153 58.000 0.243 0.000 1.255 63 F CB -1.099 38.060 39.000 0.266 0.000 0.997 63 F HN 0.019 nan 8.300 nan 0.000 0.479 64 V N -0.096 120.086 119.914 0.446 0.000 2.237 64 V HA -0.331 3.789 4.120 -0.000 0.000 0.245 64 V C 2.539 178.727 176.094 0.157 0.000 1.046 64 V CA 1.743 64.278 62.300 0.393 0.000 1.007 64 V CB -0.563 31.450 31.823 0.316 0.000 0.638 64 V HN 0.220 nan 8.190 nan 0.000 0.445 65 M N -1.071 118.524 119.600 -0.007 0.000 2.117 65 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 65 M C 2.148 178.359 176.300 -0.148 0.000 1.065 65 M CA 1.971 57.207 55.300 -0.106 0.000 1.114 65 M CB -0.902 31.542 32.600 -0.260 0.000 1.361 65 M HN 0.295 nan 8.290 nan 0.000 0.408 66 I N -0.877 119.567 120.570 -0.209 0.000 2.130 66 I HA -0.244 3.926 4.170 -0.000 0.000 0.234 66 I C 2.141 178.043 176.117 -0.357 0.000 1.067 66 I CA 1.347 62.436 61.300 -0.352 0.000 1.339 66 I CB -0.421 37.264 38.000 -0.525 0.000 1.073 66 I HN 0.055 nan 8.210 nan 0.000 0.405 67 F N -0.226 119.564 119.950 -0.266 0.000 2.367 67 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 67 F C 1.747 177.177 175.800 -0.617 0.000 1.094 67 F CA 1.022 58.725 58.000 -0.495 0.000 1.409 67 F CB -0.196 38.346 39.000 -0.763 0.000 1.064 67 F HN -0.028 nan 8.300 nan 0.000 0.528 68 F N -2.281 117.763 119.950 0.156 0.000 2.720 68 F HA 0.228 4.755 4.527 -0.000 0.000 0.301 68 F C 1.821 177.678 175.800 0.095 0.000 1.103 68 F CA 0.036 58.093 58.000 0.095 0.000 1.291 68 F CB -0.165 38.637 39.000 -0.331 0.000 1.086 68 F HN -0.106 nan 8.300 nan 0.000 0.592 69 M N -0.891 118.804 119.600 0.158 0.000 3.135 69 M HA 0.065 4.545 4.480 -0.000 0.000 0.218 69 M C 1.888 178.248 176.300 0.099 0.000 1.569 69 M CA 0.910 56.285 55.300 0.126 0.000 1.390 69 M CB -0.417 32.221 32.600 0.063 0.000 1.050 69 M HN -0.130 nan 8.290 nan 0.000 0.580 70 V N 2.146 122.072 119.914 0.020 0.000 2.231 70 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 70 V C 2.559 178.660 176.094 0.012 0.000 1.054 70 V CA 2.424 64.724 62.300 0.001 0.000 1.015 70 V CB -0.812 30.962 31.823 -0.081 0.000 0.638 70 V HN 0.555 nan 8.190 nan 0.000 0.444 71 M N -0.783 118.795 119.600 -0.037 0.000 2.086 71 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 71 M C 0.066 176.390 176.300 0.039 0.000 1.067 71 M CA 2.296 57.579 55.300 -0.030 0.000 1.116 71 M CB -1.735 30.811 32.600 -0.089 0.000 1.348 71 M HN 0.295 nan 8.290 nan 0.000 0.407 72 P HA -0.121 nan 4.420 nan 0.000 0.214 72 P C 1.514 178.902 177.300 0.146 0.000 1.163 72 P CA 1.348 64.596 63.100 0.246 0.000 0.883 72 P CB -0.113 31.908 31.700 0.534 0.000 0.788 73 I N -1.723 118.960 120.570 0.189 0.000 2.076 73 I HA -0.300 3.870 4.170 -0.000 0.000 0.237 73 I C 2.475 178.719 176.117 0.211 0.000 1.059 73 I CA 1.876 63.276 61.300 0.166 0.000 1.317 73 I CB -0.588 37.529 38.000 0.194 0.000 1.037 73 I HN -0.078 nan 8.210 nan 0.000 0.398 74 M N -0.135 119.616 119.600 0.252 0.000 2.086 74 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 74 M C 2.290 178.710 176.300 0.199 0.000 1.067 74 M CA 2.023 57.517 55.300 0.325 0.000 1.116 74 M CB -0.295 32.409 32.600 0.174 0.000 1.348 74 M HN 0.222 nan 8.290 nan 0.000 0.407 75 I N -1.118 119.458 120.570 0.009 0.000 2.429 75 I HA -0.004 4.166 4.170 -0.000 0.000 0.247 75 I C 2.586 178.602 176.117 -0.168 0.000 1.099 75 I CA 0.991 62.204 61.300 -0.146 0.000 1.422 75 I CB -0.719 37.177 38.000 -0.173 0.000 1.112 75 I HN 0.286 nan 8.210 nan 0.000 0.430 76 G N 0.463 109.032 108.800 -0.386 0.000 2.408 76 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.215 76 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.215 76 G C 1.571 176.174 174.900 -0.494 0.000 1.156 76 G CA 0.767 45.247 45.100 -1.034 0.000 0.793 76 G HN 0.457 nan 8.290 nan 0.000 0.535 77 G N 0.629 109.316 108.800 -0.189 0.000 2.607 77 G HA2 0.030 3.990 3.960 -0.000 0.000 0.215 77 G HA3 0.030 3.990 3.960 -0.000 0.000 0.215 77 G C 1.478 176.327 174.900 -0.085 0.000 1.275 77 G CA 0.545 45.596 45.100 -0.082 0.000 0.842 77 G HN 0.228 nan 8.290 nan 0.000 0.555 78 F N 2.026 122.042 119.950 0.110 0.000 2.216 78 F HA 0.056 4.583 4.527 -0.000 0.000 0.300 78 F C 2.877 178.818 175.800 0.236 0.000 1.085 78 F CA 0.854 58.925 58.000 0.118 0.000 1.326 78 F CB -0.716 38.318 39.000 0.055 0.000 1.027 78 F HN 0.212 nan 8.300 nan 0.000 0.497 79 G N 0.101 109.104 108.800 0.339 0.000 2.480 79 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 79 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 79 G C 1.732 176.892 174.900 0.434 0.000 1.200 79 G CA 1.012 46.227 45.100 0.193 0.000 0.782 79 G HN 0.255 nan 8.290 nan 0.000 0.554 80 N N -0.272 118.664 118.700 0.393 0.000 2.188 80 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 80 N C 1.919 177.570 175.510 0.236 0.000 1.018 80 N CA 0.819 54.022 53.050 0.254 0.000 0.858 80 N CB -0.239 38.314 38.487 0.111 0.000 0.989 80 N HN 0.567 nan 8.380 nan 0.000 0.426 81 W N 1.460 122.795 121.300 0.059 0.000 2.380 81 W HA -0.011 4.649 4.660 -0.000 0.000 0.317 81 W C 2.119 178.719 176.519 0.136 0.000 1.196 81 W CA 0.685 58.031 57.345 0.001 0.000 1.307 81 W CB -0.287 28.952 29.460 -0.369 0.000 1.157 81 W HN -0.015 nan 8.180 nan 0.000 0.483 82 L N -1.376 120.095 121.223 0.413 0.000 2.209 82 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 82 L C 2.084 179.085 176.870 0.218 0.000 1.094 82 L CA 0.185 55.166 54.840 0.234 0.000 0.790 82 L CB -1.336 40.690 42.059 -0.055 0.000 0.932 82 L HN -0.185 nan 8.230 nan 0.000 0.447 83 V N 0.883 120.941 119.914 0.239 0.000 2.231 83 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 83 V C -0.015 176.088 176.094 0.014 0.000 1.054 83 V CA 2.412 64.789 62.300 0.129 0.000 1.015 83 V CB -1.439 30.470 31.823 0.143 0.000 0.638 83 V HN 0.313 nan 8.190 nan 0.000 0.444 84 P HA -0.143 nan 4.420 nan 0.000 0.215 84 P C 1.909 179.155 177.300 -0.089 0.000 1.153 84 P CA 1.456 64.411 63.100 -0.242 0.000 0.853 84 P CB -0.084 31.198 31.700 -0.696 0.000 0.788 85 L N -2.082 119.190 121.223 0.081 0.000 2.131 85 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 85 L C 2.368 179.335 176.870 0.163 0.000 1.092 85 L CA 1.465 56.468 54.840 0.273 0.000 0.759 85 L CB -0.756 41.487 42.059 0.307 0.000 0.903 85 L HN 0.038 nan 8.230 nan 0.000 0.435 86 M N -0.323 119.341 119.600 0.106 0.000 2.419 86 M HA -0.021 4.459 4.480 -0.000 0.000 0.264 86 M C 1.799 178.111 176.300 0.020 0.000 1.082 86 M CA 1.220 56.590 55.300 0.117 0.000 1.119 86 M CB 0.069 32.783 32.600 0.190 0.000 1.398 86 M HN 0.314 nan 8.290 nan 0.000 0.453 87 I N -3.920 116.600 120.570 -0.085 0.000 4.025 87 I HA 0.480 4.650 4.170 -0.000 0.000 0.336 87 I C 0.873 176.799 176.117 -0.318 0.000 1.390 87 I CA 0.027 61.233 61.300 -0.156 0.000 1.099 87 I CB -0.105 37.807 38.000 -0.146 0.000 1.049 87 I HN 0.324 nan 8.210 nan 0.000 0.394 88 G N 1.986 110.453 108.800 -0.554 0.000 2.176 88 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.252 88 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.252 88 G C 0.255 174.600 174.900 -0.924 0.000 1.024 88 G CA 0.111 44.460 45.100 -1.252 0.000 0.755 88 G HN 0.921 nan 8.290 nan 0.000 0.507 89 A N 0.224 122.751 122.820 -0.487 0.000 2.304 89 A HA 0.847 5.167 4.320 -0.000 0.000 0.301 89 A C -0.115 177.447 177.584 -0.036 0.000 1.132 89 A CA -0.894 51.006 52.037 -0.229 0.000 0.819 89 A CB 1.127 19.997 19.000 -0.217 0.000 1.094 89 A HN 0.096 nan 8.150 nan 0.000 0.492 90 P HA -0.050 nan 4.420 nan 0.000 0.221 90 P C 0.151 177.486 177.300 0.058 0.000 1.150 90 P CA 1.259 64.430 63.100 0.120 0.000 0.800 90 P CB 0.401 32.143 31.700 0.071 0.000 0.787 91 D N -3.007 117.342 120.400 -0.084 0.000 3.861 91 D HA 0.148 4.788 4.640 -0.000 0.000 0.364 91 D C -0.691 175.466 176.300 -0.238 0.000 1.563 91 D CA -0.438 53.472 54.000 -0.151 0.000 0.940 91 D CB 0.231 41.019 40.800 -0.021 0.000 1.496 91 D HN -0.301 nan 8.370 nan 0.000 0.588 92 M N 0.829 120.297 119.600 -0.220 0.000 2.513 92 M HA 0.452 4.932 4.480 -0.000 0.000 0.291 92 M C 1.138 177.248 176.300 -0.317 0.000 1.190 92 M CA -0.276 54.855 55.300 -0.283 0.000 0.960 92 M CB 1.031 33.451 32.600 -0.300 0.000 1.517 92 M HN 0.563 nan 8.290 nan 0.000 0.499 93 A N 0.764 123.292 122.820 -0.486 0.000 1.902 93 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 93 A C 0.438 177.528 177.584 -0.823 0.000 1.181 93 A CA 1.588 53.166 52.037 -0.765 0.000 0.623 93 A CB -0.218 18.077 19.000 -1.175 0.000 0.818 93 A HN 0.582 nan 8.150 nan 0.000 0.443 94 F N -1.371 118.520 119.950 -0.099 0.000 2.550 94 F HA 0.388 4.915 4.527 -0.000 0.000 0.348 94 F C -2.153 173.602 175.800 -0.074 0.000 1.219 94 F CA -2.818 55.137 58.000 -0.075 0.000 1.203 94 F CB 0.850 39.810 39.000 -0.067 0.000 1.436 94 F HN -0.001 nan 8.300 nan 0.000 0.541 95 P HA -0.192 nan 4.420 nan 0.000 0.216 95 P C 1.905 179.226 177.300 0.036 0.000 1.154 95 P CA 1.763 64.865 63.100 0.004 0.000 0.865 95 P CB 0.309 32.005 31.700 -0.007 0.000 0.789 96 R N -1.310 119.224 120.500 0.058 0.000 2.057 96 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 96 R C 2.423 178.761 176.300 0.064 0.000 1.136 96 R CA 1.492 57.622 56.100 0.050 0.000 0.952 96 R CB -0.839 29.479 30.300 0.029 0.000 0.848 96 R HN 0.152 nan 8.270 nan 0.000 0.430 97 M N 0.903 120.547 119.600 0.072 0.000 2.106 97 M HA -0.253 4.227 4.480 -0.000 0.000 0.259 97 M C 1.861 178.211 176.300 0.082 0.000 1.068 97 M CA 1.743 57.079 55.300 0.060 0.000 1.100 97 M CB -0.239 32.388 32.600 0.045 0.000 1.351 97 M HN 0.065 nan 8.290 nan 0.000 0.404 98 N N 0.831 119.579 118.700 0.080 0.000 2.094 98 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 98 N C 1.299 176.881 175.510 0.120 0.000 1.023 98 N CA 1.890 54.978 53.050 0.063 0.000 0.857 98 N CB -0.547 37.936 38.487 -0.007 0.000 1.013 98 N HN 0.513 nan 8.380 nan 0.000 0.426 99 N N -0.510 118.265 118.700 0.125 0.000 2.142 99 N HA -0.151 4.588 4.740 -0.000 0.000 0.186 99 N C 1.882 177.553 175.510 0.267 0.000 1.023 99 N CA 0.940 54.115 53.050 0.208 0.000 0.852 99 N CB -0.090 38.536 38.487 0.231 0.000 0.998 99 N HN 0.310 nan 8.380 nan 0.000 0.424 100 M N 0.710 120.423 119.600 0.188 0.000 2.108 100 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 100 M C 2.001 178.370 176.300 0.116 0.000 1.066 100 M CA 1.350 56.745 55.300 0.159 0.000 1.107 100 M CB 0.016 32.666 32.600 0.083 0.000 1.356 100 M HN 0.032 nan 8.290 nan 0.000 0.406 101 S N 0.496 116.269 115.700 0.121 0.000 2.372 101 S HA -0.212 4.258 4.470 -0.000 0.000 0.227 101 S C 1.510 176.154 174.600 0.073 0.000 1.044 101 S CA 1.882 60.164 58.200 0.136 0.000 1.050 101 S CB -0.762 62.571 63.200 0.223 0.000 0.901 101 S HN 0.651 nan 8.310 nan 0.000 0.447 102 F N 0.873 120.743 119.950 -0.134 0.000 2.075 102 F HA -0.064 4.463 4.527 -0.000 0.000 0.297 102 F C 1.789 177.254 175.800 -0.558 0.000 1.113 102 F CA 1.069 58.701 58.000 -0.613 0.000 1.218 102 F CB -0.789 37.625 39.000 -0.978 0.000 0.984 102 F HN 0.214 nan 8.300 nan 0.000 0.472 103 W N 0.571 121.592 121.300 -0.465 0.000 2.468 103 W HA -0.081 4.579 4.660 -0.000 0.000 0.262 103 W C 2.106 178.409 176.519 -0.360 0.000 1.241 103 W CA 0.526 57.591 57.345 -0.467 0.000 1.232 103 W CB -0.458 28.927 29.460 -0.126 0.000 1.124 103 W HN 0.073 nan 8.180 nan 0.000 0.597 104 L N -0.793 120.356 121.223 -0.123 0.000 2.291 104 L HA -0.178 4.162 4.340 -0.000 0.000 0.214 104 L C 2.179 178.981 176.870 -0.113 0.000 1.120 104 L CA 0.322 55.127 54.840 -0.058 0.000 0.799 104 L CB -0.494 41.560 42.059 -0.008 0.000 0.925 104 L HN 0.021 nan 8.230 nan 0.000 0.446 105 L N 0.261 121.275 121.223 -0.348 0.000 2.005 105 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 105 L C -0.262 176.486 176.870 -0.203 0.000 1.072 105 L CA 2.157 56.775 54.840 -0.370 0.000 0.744 105 L CB -1.685 39.807 42.059 -0.945 0.000 0.895 105 L HN 0.066 nan 8.230 nan 0.000 0.433 106 P HA -0.118 nan 4.420 nan 0.000 0.215 106 P C -1.348 176.038 177.300 0.143 0.000 1.157 106 P CA 1.869 65.052 63.100 0.140 0.000 0.868 106 P CB -0.920 30.822 31.700 0.071 0.000 0.788 107 P HA -0.155 nan 4.420 nan 0.000 0.215 107 P C 1.918 179.287 177.300 0.114 0.000 1.157 107 P CA 1.740 64.888 63.100 0.081 0.000 0.868 107 P CB -0.499 31.235 31.700 0.057 0.000 0.788 108 S N -1.604 114.184 115.700 0.147 0.000 2.374 108 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 108 S C 1.852 176.602 174.600 0.250 0.000 1.037 108 S CA 1.127 59.465 58.200 0.230 0.000 1.024 108 S CB -1.063 62.340 63.200 0.338 0.000 0.861 108 S HN -0.070 nan 8.310 nan 0.000 0.456 109 F N 1.671 121.550 119.950 -0.118 0.000 2.186 109 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 109 F C 1.912 177.623 175.800 -0.148 0.000 1.090 109 F CA 0.768 58.496 58.000 -0.453 0.000 1.307 109 F CB -1.149 37.584 39.000 -0.445 0.000 1.019 109 F HN 0.288 nan 8.300 nan 0.000 0.489 110 L N 0.302 121.551 121.223 0.043 0.000 1.989 110 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 110 L C 2.317 179.197 176.870 0.017 0.000 1.071 110 L CA 1.775 56.594 54.840 -0.033 0.000 0.749 110 L CB -1.038 41.022 42.059 0.002 0.000 0.890 110 L HN 0.130 nan 8.230 nan 0.000 0.431 111 L N -1.171 120.098 121.223 0.075 0.000 2.043 111 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 111 L C 2.537 179.468 176.870 0.103 0.000 1.075 111 L CA 1.391 56.291 54.840 0.100 0.000 0.752 111 L CB -0.808 41.334 42.059 0.138 0.000 0.891 111 L HN 0.386 nan 8.230 nan 0.000 0.432 112 L N -0.378 120.929 121.223 0.139 0.000 2.093 112 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 112 L C 2.292 179.241 176.870 0.132 0.000 1.085 112 L CA 1.571 56.519 54.840 0.181 0.000 0.755 112 L CB -0.271 41.997 42.059 0.348 0.000 0.904 112 L HN 0.091 nan 8.230 nan 0.000 0.435 113 L N -0.728 120.515 121.223 0.033 0.000 2.056 113 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 113 L C 2.688 179.565 176.870 0.012 0.000 1.078 113 L CA 1.072 55.893 54.840 -0.031 0.000 0.749 113 L CB -0.890 41.061 42.059 -0.179 0.000 0.901 113 L HN 0.360 nan 8.230 nan 0.000 0.433 114 A N 0.045 122.876 122.820 0.019 0.000 1.908 114 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 114 A C 2.547 180.163 177.584 0.054 0.000 1.181 114 A CA 2.051 54.108 52.037 0.035 0.000 0.627 114 A CB -0.813 18.212 19.000 0.042 0.000 0.818 114 A HN 0.509 nan 8.150 nan 0.000 0.445 115 S N 0.688 116.430 115.700 0.070 0.000 2.387 115 S HA -0.191 4.279 4.470 -0.000 0.000 0.230 115 S C 1.935 176.584 174.600 0.082 0.000 1.035 115 S CA 2.102 60.349 58.200 0.078 0.000 1.014 115 S CB -0.821 62.431 63.200 0.086 0.000 0.836 115 S HN 1.038 nan 8.310 nan 0.000 0.466 116 S N 0.042 115.793 115.700 0.084 0.000 2.593 116 S HA 0.290 4.760 4.470 -0.000 0.000 0.217 116 S C 1.582 176.219 174.600 0.062 0.000 0.966 116 S CA 0.129 58.379 58.200 0.082 0.000 0.914 116 S CB -0.324 62.929 63.200 0.089 0.000 0.776 116 S HN 0.576 nan 8.310 nan 0.000 0.523 117 M N 1.360 120.991 119.600 0.052 0.000 2.718 117 M HA 0.224 4.704 4.480 -0.000 0.000 0.259 117 M C 0.939 177.264 176.300 0.041 0.000 1.240 117 M CA 0.356 55.681 55.300 0.040 0.000 1.210 117 M CB -0.220 32.398 32.600 0.030 0.000 1.281 117 M HN 0.342 nan 8.290 nan 0.000 0.515 118 V N 0.499 120.441 119.914 0.045 0.000 2.963 118 V HA 0.160 4.280 4.120 -0.000 0.000 0.306 118 V C 0.675 176.798 176.094 0.048 0.000 1.077 118 V CA -0.896 61.431 62.300 0.044 0.000 1.124 118 V CB 0.252 32.104 31.823 0.047 0.000 0.987 118 V HN 0.620 nan 8.190 nan 0.000 0.487 119 E N 2.661 122.885 120.200 0.041 0.000 3.401 119 E HA -0.350 4.000 4.350 -0.000 0.000 0.352 119 E C 0.882 177.507 176.600 0.041 0.000 1.523 119 E CA 1.984 58.407 56.400 0.038 0.000 1.794 119 E CB -1.683 28.044 29.700 0.045 0.000 1.792 119 E HN 1.581 nan 8.360 nan 0.000 0.471 120 A N 1.661 124.509 122.820 0.046 0.000 2.574 120 A HA 0.517 4.837 4.320 -0.000 0.000 0.283 120 A C 0.933 178.570 177.584 0.089 0.000 1.270 120 A CA 1.417 53.485 52.037 0.051 0.000 0.945 120 A CB -0.188 18.826 19.000 0.023 0.000 1.127 120 A HN 1.352 nan 8.150 nan 0.000 0.522 121 G N -0.664 108.196 108.800 0.100 0.000 2.752 121 G HA2 0.238 4.198 3.960 -0.000 0.000 0.234 121 G HA3 0.238 4.198 3.960 -0.000 0.000 0.234 121 G C 0.219 175.231 174.900 0.186 0.000 1.367 121 G CA -0.215 44.959 45.100 0.123 0.000 0.879 121 G HN 1.814 nan 8.290 nan 0.000 0.563 122 A N 0.078 122.990 122.820 0.154 0.000 2.412 122 A HA 0.723 5.043 4.320 -0.000 0.000 0.334 122 A C 0.861 178.503 177.584 0.096 0.000 1.419 122 A CA 0.862 52.956 52.037 0.094 0.000 0.930 122 A CB 0.442 19.458 19.000 0.027 0.000 1.149 122 A HN 2.290 nan 8.150 nan 0.000 0.515 123 G N 1.490 110.439 108.800 0.248 0.000 3.943 123 G HA2 0.321 4.281 3.960 -0.000 0.000 0.275 123 G HA3 0.321 4.281 3.960 -0.000 0.000 0.275 123 G C 0.775 175.733 174.900 0.096 0.000 1.234 123 G CA 0.594 45.800 45.100 0.176 0.000 1.522 123 G HN 0.756 nan 8.290 nan 0.000 0.636 124 T N -2.882 111.623 114.554 -0.082 0.000 3.044 124 T HA 0.473 4.823 4.350 -0.000 0.000 0.250 124 T C 1.217 175.839 174.700 -0.130 0.000 1.081 124 T CA 0.483 62.498 62.100 -0.143 0.000 1.040 124 T CB 0.541 69.247 68.868 -0.270 0.000 0.962 124 T HN 1.465 nan 8.240 nan 0.000 0.506 125 G N 1.479 110.221 108.800 -0.097 0.000 2.675 125 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 125 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 125 G C 0.226 175.010 174.900 -0.193 0.000 1.215 125 G CA -0.263 44.766 45.100 -0.119 0.000 0.777 125 G HN 0.560 nan 8.290 nan 0.000 0.638 126 W N 0.553 121.601 121.300 -0.420 0.000 2.468 126 W HA -0.059 4.601 4.660 -0.000 0.000 0.262 126 W C 1.500 177.829 176.519 -0.316 0.000 1.241 126 W CA 2.106 59.063 57.345 -0.647 0.000 1.232 126 W CB -1.368 27.686 29.460 -0.677 0.000 1.124 126 W HN 1.125 nan 8.180 nan 0.000 0.597 127 T N -0.926 113.063 114.554 -0.941 0.000 3.113 127 T HA 0.025 4.375 4.350 -0.000 0.000 0.256 127 T C 1.349 175.529 174.700 -0.866 0.000 1.131 127 T CA 0.531 61.728 62.100 -1.506 0.000 1.074 127 T CB -0.637 67.212 68.868 -1.699 0.000 0.944 127 T HN 0.304 nan 8.240 nan 0.000 0.516 128 V N 1.902 121.547 119.914 -0.449 0.000 5.176 128 V HA -0.219 3.901 4.120 -0.000 0.000 0.252 128 V C -0.593 175.266 176.094 -0.391 0.000 0.665 128 V CA 0.169 62.302 62.300 -0.278 0.000 0.654 128 V CB -2.243 29.527 31.823 -0.088 0.000 0.440 128 V HN 0.584 nan 8.190 nan 0.000 0.806 129 Y N 3.208 123.195 120.300 -0.521 0.000 2.497 129 Y HA 0.504 5.054 4.550 -0.000 0.000 0.334 129 Y C -1.131 174.445 175.900 -0.539 0.000 1.199 129 Y CA -2.264 55.454 58.100 -0.637 0.000 1.425 129 Y CB 0.496 38.769 38.460 -0.313 0.000 1.291 129 Y HN 0.374 nan 8.280 nan 0.000 0.562 130 P HA 0.303 nan 4.420 nan 0.000 0.287 130 P C -2.423 174.800 177.300 -0.129 0.000 1.279 130 P CA -2.114 60.828 63.100 -0.265 0.000 0.867 130 P CB 1.975 33.493 31.700 -0.304 0.000 1.127 131 P HA -0.029 nan 4.420 nan 0.000 0.226 131 P C 1.594 178.907 177.300 0.022 0.000 1.153 131 P CA 0.291 63.394 63.100 0.005 0.000 0.777 131 P CB -0.064 31.654 31.700 0.031 0.000 0.794 132 L N 0.348 121.590 121.223 0.031 0.000 2.079 132 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 132 L C 2.026 178.956 176.870 0.101 0.000 1.081 132 L CA 2.035 56.930 54.840 0.092 0.000 0.752 132 L CB -1.379 40.734 42.059 0.090 0.000 0.896 132 L HN -0.072 nan 8.230 nan 0.000 0.433 133 A N -0.807 121.974 122.820 -0.065 0.000 2.206 133 A HA 0.324 4.644 4.320 -0.000 0.000 0.211 133 A C 1.448 179.001 177.584 -0.051 0.000 1.158 133 A CA 0.467 52.411 52.037 -0.154 0.000 0.761 133 A CB -1.349 17.498 19.000 -0.255 0.000 0.801 133 A HN 0.478 nan 8.150 nan 0.000 0.473 134 G N 0.087 108.889 108.800 0.004 0.000 2.667 134 G HA2 0.239 4.199 3.960 -0.000 0.000 0.250 134 G HA3 0.239 4.199 3.960 -0.000 0.000 0.250 134 G C 0.528 175.465 174.900 0.061 0.000 1.212 134 G CA 0.119 45.238 45.100 0.033 0.000 0.874 134 G HN 0.500 nan 8.290 nan 0.000 0.561 135 N N -0.228 118.501 118.700 0.048 0.000 2.575 135 N HA -0.029 4.711 4.740 -0.000 0.000 0.192 135 N C 1.290 176.825 175.510 0.041 0.000 1.200 135 N CA 0.500 53.577 53.050 0.046 0.000 0.897 135 N CB 0.203 38.711 38.487 0.035 0.000 0.990 135 N HN 0.405 nan 8.380 nan 0.000 0.449 136 L N -0.796 120.452 121.223 0.042 0.000 2.546 136 L HA 0.348 4.688 4.340 -0.000 0.000 0.182 136 L C 2.004 178.886 176.870 0.021 0.000 1.167 136 L CA 0.552 55.409 54.840 0.028 0.000 0.845 136 L CB -0.452 41.623 42.059 0.027 0.000 1.134 136 L HN 0.168 nan 8.230 nan 0.000 0.500 137 A N -1.618 121.224 122.820 0.037 0.000 2.172 137 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 137 A C 0.450 178.009 177.584 -0.040 0.000 1.154 137 A CA 1.174 53.222 52.037 0.019 0.000 0.701 137 A CB -0.587 18.454 19.000 0.068 0.000 0.789 137 A HN 0.671 nan 8.150 nan 0.000 0.465 138 H N -1.532 117.541 119.070 0.005 0.000 2.947 138 H HA 0.497 5.053 4.556 -0.000 0.000 0.222 138 H C 0.213 175.542 175.328 0.003 0.000 1.414 138 H CA -0.075 55.975 56.048 0.004 0.000 1.224 138 H CB 0.271 30.031 29.762 -0.004 0.000 2.100 138 H HN 0.427 nan 8.280 nan 0.000 0.524 139 A N 0.738 123.588 122.820 0.051 0.000 2.466 139 A HA 0.543 4.863 4.320 -0.000 0.000 0.238 139 A C 1.064 178.677 177.584 0.048 0.000 1.074 139 A CA 0.926 52.989 52.037 0.043 0.000 0.774 139 A CB -0.223 18.788 19.000 0.018 0.000 1.015 139 A HN 0.847 nan 8.150 nan 0.000 0.498 140 G N -1.164 107.663 108.800 0.045 0.000 2.479 140 G HA2 0.393 4.353 3.960 -0.000 0.000 0.686 140 G HA3 0.393 4.353 3.960 -0.000 0.000 0.686 140 G C 0.618 175.546 174.900 0.047 0.000 1.295 140 G CA 0.170 45.297 45.100 0.046 0.000 0.922 140 G HN 1.954 nan 8.290 nan 0.000 0.582 141 A N -0.098 122.751 122.820 0.048 0.000 2.015 141 A HA 0.251 4.571 4.320 -0.000 0.000 0.219 141 A C 2.740 180.347 177.584 0.039 0.000 1.163 141 A CA 2.647 54.712 52.037 0.047 0.000 0.646 141 A CB -0.733 18.303 19.000 0.061 0.000 0.806 141 A HN 1.669 nan 8.150 nan 0.000 0.448 142 S N -0.131 115.603 115.700 0.056 0.000 2.414 142 S HA -0.243 4.227 4.470 -0.000 0.000 0.238 142 S C 1.885 176.496 174.600 0.018 0.000 1.055 142 S CA 1.979 60.215 58.200 0.060 0.000 1.174 142 S CB -0.819 62.444 63.200 0.106 0.000 1.087 142 S HN 0.402 nan 8.310 nan 0.000 0.428 143 V N 2.459 122.371 119.914 -0.003 0.000 2.392 143 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 143 V C 2.071 178.080 176.094 -0.142 0.000 1.059 143 V CA 1.894 64.147 62.300 -0.079 0.000 1.051 143 V CB -0.824 30.934 31.823 -0.107 0.000 0.658 143 V HN 0.390 nan 8.190 nan 0.000 0.455 144 D N 0.115 120.425 120.400 -0.151 0.000 2.144 144 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 144 D C 2.140 178.217 176.300 -0.372 0.000 0.984 144 D CA 1.185 54.989 54.000 -0.326 0.000 0.834 144 D CB -0.154 40.509 40.800 -0.228 0.000 0.955 144 D HN 0.361 nan 8.370 nan 0.000 0.465 145 L N 0.475 121.641 121.223 -0.094 0.000 2.093 145 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 145 L C 2.471 179.336 176.870 -0.008 0.000 1.085 145 L CA 0.986 55.853 54.840 0.045 0.000 0.755 145 L CB -0.517 41.591 42.059 0.082 0.000 0.904 145 L HN -0.005 nan 8.230 nan 0.000 0.435 146 T N 0.117 114.628 114.554 -0.071 0.000 2.788 146 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 146 T C 1.917 176.472 174.700 -0.243 0.000 1.044 146 T CA 1.193 63.219 62.100 -0.123 0.000 1.139 146 T CB -0.095 68.731 68.868 -0.069 0.000 0.867 146 T HN 0.195 nan 8.240 nan 0.000 0.454 147 I N 0.078 120.476 120.570 -0.287 0.000 2.252 147 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 147 I C 1.920 177.841 176.117 -0.326 0.000 1.102 147 I CA 1.200 62.263 61.300 -0.394 0.000 1.385 147 I CB -0.280 37.429 38.000 -0.485 0.000 1.064 147 I HN 0.170 nan 8.210 nan 0.000 0.414 148 F N 0.476 120.351 119.950 -0.124 0.000 2.234 148 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 148 F C 2.943 178.732 175.800 -0.018 0.000 1.087 148 F CA 1.266 59.259 58.000 -0.012 0.000 1.340 148 F CB -1.240 37.784 39.000 0.041 0.000 1.031 148 F HN 0.029 nan 8.300 nan 0.000 0.500 149 S N 0.035 115.806 115.700 0.119 0.000 2.368 149 S HA -0.153 4.317 4.470 -0.000 0.000 0.225 149 S C 2.111 176.689 174.600 -0.037 0.000 1.030 149 S CA 0.949 59.197 58.200 0.081 0.000 0.999 149 S CB -0.378 62.859 63.200 0.062 0.000 0.844 149 S HN 0.167 nan 8.310 nan 0.000 0.459 150 L N 1.541 122.623 121.223 -0.235 0.000 2.141 150 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 150 L C 2.402 179.164 176.870 -0.180 0.000 1.094 150 L CA 1.638 56.236 54.840 -0.403 0.000 0.763 150 L CB -1.100 40.629 42.059 -0.550 0.000 0.908 150 L HN 0.405 nan 8.230 nan 0.000 0.437 151 H N -0.703 118.328 119.070 -0.064 0.000 2.293 151 H HA -0.075 4.481 4.556 -0.000 0.000 0.300 151 H C 2.288 177.610 175.328 -0.010 0.000 1.082 151 H CA 1.544 57.584 56.048 -0.013 0.000 1.308 151 H CB -0.286 29.529 29.762 0.088 0.000 1.375 151 H HN 0.205 nan 8.280 nan 0.000 0.495 152 L N -0.149 121.169 121.223 0.158 0.000 1.989 152 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 152 L C 2.828 179.744 176.870 0.076 0.000 1.071 152 L CA 1.188 56.085 54.840 0.094 0.000 0.749 152 L CB -0.756 41.361 42.059 0.096 0.000 0.890 152 L HN 0.220 nan 8.230 nan 0.000 0.431 153 A N 0.283 123.142 122.820 0.066 0.000 1.978 153 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 153 A C 2.346 179.973 177.584 0.072 0.000 1.170 153 A CA 1.865 53.940 52.037 0.064 0.000 0.636 153 A CB -1.077 17.897 19.000 -0.042 0.000 0.810 153 A HN 0.500 nan 8.150 nan 0.000 0.448 154 G N -0.872 107.951 108.800 0.038 0.000 2.396 154 G HA2 0.015 3.975 3.960 -0.000 0.000 0.214 154 G HA3 0.015 3.975 3.960 -0.000 0.000 0.214 154 G C 1.453 176.387 174.900 0.057 0.000 1.166 154 G CA 1.014 46.141 45.100 0.046 0.000 0.793 154 G HN 0.312 nan 8.290 nan 0.000 0.533 155 V N 1.245 121.189 119.914 0.051 0.000 2.343 155 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 155 V C 3.049 179.175 176.094 0.053 0.000 1.051 155 V CA 2.198 64.520 62.300 0.037 0.000 1.036 155 V CB -0.511 31.323 31.823 0.019 0.000 0.654 155 V HN 0.503 nan 8.190 nan 0.000 0.451 156 S N 0.210 115.950 115.700 0.067 0.000 2.353 156 S HA -0.230 4.240 4.470 -0.000 0.000 0.222 156 S C 2.172 176.842 174.600 0.115 0.000 1.035 156 S CA 2.287 60.539 58.200 0.087 0.000 1.025 156 S CB -0.416 62.835 63.200 0.085 0.000 0.902 156 S HN 0.592 nan 8.310 nan 0.000 0.440 157 S N 1.815 117.586 115.700 0.118 0.000 2.423 157 S HA 0.043 4.513 4.470 -0.000 0.000 0.231 157 S C 1.824 176.498 174.600 0.124 0.000 1.014 157 S CA 1.254 59.531 58.200 0.128 0.000 0.965 157 S CB -0.551 62.724 63.200 0.126 0.000 0.785 157 S HN 0.811 nan 8.310 nan 0.000 0.495 158 I N -1.973 118.658 120.570 0.101 0.000 3.226 158 I HA 0.102 4.272 4.170 -0.000 0.000 0.277 158 I C 1.666 177.835 176.117 0.087 0.000 1.243 158 I CA 0.525 61.882 61.300 0.095 0.000 1.459 158 I CB -0.252 37.794 38.000 0.076 0.000 1.093 158 I HN 0.110 nan 8.210 nan 0.000 0.453 159 L N 2.320 123.591 121.223 0.080 0.000 2.072 159 L HA 0.156 4.496 4.340 -0.000 0.000 0.205 159 L C 2.633 179.560 176.870 0.095 0.000 1.079 159 L CA 2.054 56.933 54.840 0.065 0.000 0.752 159 L CB -1.265 40.824 42.059 0.051 0.000 0.906 159 L HN 0.327 nan 8.230 nan 0.000 0.436 160 G N -1.541 107.334 108.800 0.126 0.000 2.421 160 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 160 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 160 G C 1.659 176.709 174.900 0.250 0.000 1.143 160 G CA 0.680 45.868 45.100 0.148 0.000 0.784 160 G HN 0.479 nan 8.290 nan 0.000 0.541 161 A N 0.849 123.807 122.820 0.231 0.000 1.933 161 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 161 A C 2.350 180.050 177.584 0.192 0.000 1.175 161 A CA 1.120 53.295 52.037 0.231 0.000 0.628 161 A CB -0.322 18.771 19.000 0.156 0.000 0.814 161 A HN 0.377 nan 8.150 nan 0.000 0.444 162 I N -0.287 120.372 120.570 0.149 0.000 2.315 162 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 162 I C 2.444 178.677 176.117 0.193 0.000 1.117 162 I CA 1.190 62.578 61.300 0.147 0.000 1.404 162 I CB -0.384 37.680 38.000 0.107 0.000 1.071 162 I HN 0.339 nan 8.210 nan 0.000 0.419 163 N N 1.061 119.852 118.700 0.153 0.000 2.080 163 N HA -0.166 4.574 4.740 -0.000 0.000 0.189 163 N C 1.840 177.272 175.510 -0.131 0.000 1.036 163 N CA 1.701 54.764 53.050 0.022 0.000 0.846 163 N CB -0.259 38.151 38.487 -0.128 0.000 1.015 163 N HN 0.139 nan 8.380 nan 0.000 0.423 164 F N 1.244 121.184 119.950 -0.017 0.000 2.134 164 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 164 F C 2.321 178.072 175.800 -0.082 0.000 1.097 164 F CA 0.707 58.665 58.000 -0.069 0.000 1.264 164 F CB -0.443 38.516 39.000 -0.069 0.000 1.001 164 F HN 0.037 nan 8.300 nan 0.000 0.479 165 I N -0.862 119.794 120.570 0.143 0.000 2.252 165 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 165 I C 2.238 178.353 176.117 -0.003 0.000 1.102 165 I CA 1.530 62.863 61.300 0.054 0.000 1.385 165 I CB -0.884 37.155 38.000 0.066 0.000 1.064 165 I HN 0.099 nan 8.210 nan 0.000 0.414 166 T N 0.089 114.641 114.554 -0.003 0.000 2.708 166 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 166 T C 1.922 176.530 174.700 -0.154 0.000 1.037 166 T CA 2.025 64.087 62.100 -0.064 0.000 1.146 166 T CB -0.409 68.414 68.868 -0.074 0.000 0.865 166 T HN 0.357 nan 8.240 nan 0.000 0.435 167 T N 2.461 116.897 114.554 -0.197 0.000 2.595 167 T HA -0.013 4.337 4.350 -0.000 0.000 0.264 167 T C 2.011 176.615 174.700 -0.158 0.000 1.058 167 T CA 1.162 63.134 62.100 -0.214 0.000 1.166 167 T CB -0.579 68.158 68.868 -0.219 0.000 0.863 167 T HN 0.286 nan 8.240 nan 0.000 0.415 168 I N 0.442 120.943 120.570 -0.115 0.000 2.248 168 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 168 I C 2.246 178.254 176.117 -0.181 0.000 1.107 168 I CA 1.394 62.609 61.300 -0.142 0.000 1.373 168 I CB -0.373 37.551 38.000 -0.126 0.000 1.055 168 I HN 0.260 nan 8.210 nan 0.000 0.418 169 I N -0.118 120.360 120.570 -0.153 0.000 2.339 169 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 169 I C 2.234 178.269 176.117 -0.138 0.000 1.096 169 I CA 1.166 62.374 61.300 -0.154 0.000 1.408 169 I CB -0.321 37.612 38.000 -0.111 0.000 1.092 169 I HN 0.306 nan 8.210 nan 0.000 0.423 170 N N 0.767 119.390 118.700 -0.128 0.000 2.424 170 N HA 0.049 4.789 4.740 -0.000 0.000 0.178 170 N C 1.117 176.548 175.510 -0.132 0.000 1.060 170 N CA 0.377 53.355 53.050 -0.120 0.000 0.901 170 N CB 0.407 38.828 38.487 -0.111 0.000 0.979 170 N HN 0.245 nan 8.380 nan 0.000 0.451 171 M N 1.054 120.563 119.600 -0.152 0.000 2.778 171 M HA 0.235 4.715 4.480 -0.000 0.000 0.359 171 M C -0.690 175.514 176.300 -0.160 0.000 1.216 171 M CA -0.154 55.053 55.300 -0.155 0.000 0.935 171 M CB 0.916 33.411 32.600 -0.176 0.000 1.330 171 M HN -0.179 nan 8.290 nan 0.000 0.516 172 K N 0.961 121.269 120.400 -0.153 0.000 2.090 172 K HA 0.530 4.850 4.320 -0.000 0.000 0.249 172 K C -2.492 174.025 176.600 -0.139 0.000 0.995 172 K CA -1.741 54.452 56.287 -0.157 0.000 0.914 172 K CB 0.332 32.740 32.500 -0.154 0.000 1.057 172 K HN -0.136 nan 8.250 nan 0.000 0.462 173 P HA 0.038 nan 4.420 nan 0.000 0.268 173 P C -2.155 175.081 177.300 -0.106 0.000 1.204 173 P CA -0.968 62.060 63.100 -0.120 0.000 0.768 173 P CB 0.281 31.910 31.700 -0.119 0.000 0.842 174 P HA -0.253 nan 4.420 nan 0.000 0.218 174 P C 0.855 178.106 177.300 -0.082 0.000 1.147 174 P CA 1.795 64.844 63.100 -0.085 0.000 0.827 174 P CB -0.137 31.515 31.700 -0.080 0.000 0.778 175 A N -2.215 120.548 122.820 -0.094 0.000 2.238 175 A HA 0.168 4.488 4.320 -0.000 0.000 0.210 175 A C 1.136 178.683 177.584 -0.062 0.000 1.179 175 A CA -0.113 51.876 52.037 -0.081 0.000 0.827 175 A CB -0.771 18.165 19.000 -0.107 0.000 0.856 175 A HN 0.177 nan 8.150 nan 0.000 0.488 176 M N 2.081 121.638 119.600 -0.071 0.000 2.084 176 M HA 0.333 4.813 4.480 -0.000 0.000 0.351 176 M C 0.446 176.707 176.300 -0.065 0.000 1.240 176 M CA -0.283 54.981 55.300 -0.060 0.000 1.083 176 M CB 0.720 33.276 32.600 -0.074 0.000 1.593 176 M HN 0.364 nan 8.290 nan 0.000 0.463 177 S N 3.184 118.864 115.700 -0.033 0.000 2.634 177 S HA 0.148 4.618 4.470 -0.000 0.000 0.261 177 S C 0.655 175.182 174.600 -0.122 0.000 1.271 177 S CA -0.430 57.743 58.200 -0.046 0.000 0.985 177 S CB 1.298 64.534 63.200 0.060 0.000 0.968 177 S HN 0.859 nan 8.310 nan 0.000 0.568 178 Q N -0.308 119.319 119.800 -0.289 0.000 2.224 178 Q HA 0.036 4.376 4.340 -0.000 0.000 0.203 178 Q C 0.493 176.357 176.000 -0.226 0.000 0.970 178 Q CA 1.562 57.075 55.803 -0.484 0.000 0.865 178 Q CB -0.498 27.797 28.738 -0.737 0.000 0.922 178 Q HN 0.853 nan 8.270 nan 0.000 0.445 179 Y N -0.383 120.105 120.300 0.313 0.000 2.465 179 Y HA 0.161 4.711 4.550 -0.000 0.000 0.311 179 Y C 0.910 176.991 175.900 0.301 0.000 1.204 179 Y CA 0.266 58.670 58.100 0.506 0.000 1.272 179 Y CB 0.084 38.768 38.460 0.373 0.000 1.083 179 Y HN 0.164 nan 8.280 nan 0.000 0.508 180 Q N -0.863 119.079 119.800 0.237 0.000 2.140 180 Q HA 0.102 4.442 4.340 -0.000 0.000 0.227 180 Q C 0.459 176.514 176.000 0.092 0.000 0.798 180 Q CA -0.073 55.781 55.803 0.086 0.000 0.987 180 Q CB 0.905 29.662 28.738 0.032 0.000 1.161 180 Q HN 0.322 nan 8.270 nan 0.000 0.480 181 T N -1.139 113.499 114.554 0.140 0.000 2.913 181 T HA 0.496 4.846 4.350 -0.000 0.000 0.287 181 T C -2.579 172.344 174.700 0.372 0.000 1.008 181 T CA -1.966 60.198 62.100 0.106 0.000 1.067 181 T CB 1.321 70.108 68.868 -0.135 0.000 0.996 181 T HN -0.226 nan 8.240 nan 0.000 0.513 182 P HA 0.252 nan 4.420 nan 0.000 0.274 182 P C 1.116 178.813 177.300 0.662 0.000 1.231 182 P CA -0.624 62.796 63.100 0.534 0.000 0.790 182 P CB 0.460 32.487 31.700 0.544 0.000 0.951 183 L N 0.736 122.375 121.223 0.693 0.000 2.081 183 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 183 L C 2.156 179.360 176.870 0.556 0.000 1.080 183 L CA 1.623 56.804 54.840 0.567 0.000 0.754 183 L CB -0.715 41.604 42.059 0.434 0.000 0.893 183 L HN 0.387 nan 8.230 nan 0.000 0.433 184 F N 0.446 120.671 119.950 0.458 0.000 2.134 184 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 184 F C 2.277 178.140 175.800 0.106 0.000 1.097 184 F CA 1.511 59.578 58.000 0.111 0.000 1.264 184 F CB -0.425 38.396 39.000 -0.298 0.000 1.001 184 F HN -0.254 nan 8.300 nan 0.000 0.479 185 V N -0.996 118.955 119.914 0.061 0.000 2.343 185 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 185 V C 2.167 178.217 176.094 -0.072 0.000 1.051 185 V CA 2.094 64.321 62.300 -0.121 0.000 1.036 185 V CB -1.090 30.718 31.823 -0.025 0.000 0.654 185 V HN 0.513 nan 8.190 nan 0.000 0.451 186 W N 0.628 121.911 121.300 -0.027 0.000 2.358 186 W HA -0.237 4.423 4.660 -0.000 0.000 0.303 186 W C 3.056 179.531 176.519 -0.073 0.000 1.208 186 W CA 1.923 59.252 57.345 -0.028 0.000 1.274 186 W CB -0.412 29.058 29.460 0.017 0.000 1.138 186 W HN 0.349 nan 8.180 nan 0.000 0.515 187 S N 0.164 115.978 115.700 0.189 0.000 2.365 187 S HA -0.265 4.205 4.470 -0.000 0.000 0.225 187 S C 1.928 176.466 174.600 -0.105 0.000 1.039 187 S CA 1.937 60.175 58.200 0.062 0.000 1.033 187 S CB -1.191 62.072 63.200 0.105 0.000 0.887 187 S HN 0.223 nan 8.310 nan 0.000 0.447 188 V N 0.417 120.124 119.914 -0.343 0.000 2.871 188 V HA 0.132 4.252 4.120 -0.000 0.000 0.256 188 V C 2.195 178.137 176.094 -0.255 0.000 1.082 188 V CA 1.668 63.713 62.300 -0.424 0.000 1.105 188 V CB -0.542 30.815 31.823 -0.776 0.000 0.713 188 V HN 0.631 nan 8.190 nan 0.000 0.473 189 M N -0.328 119.190 119.600 -0.136 0.000 2.200 189 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 189 M C 2.034 178.354 176.300 0.032 0.000 1.066 189 M CA 2.039 57.309 55.300 -0.050 0.000 1.127 189 M CB -0.251 32.307 32.600 -0.071 0.000 1.379 189 M HN 0.435 nan 8.290 nan 0.000 0.420 190 I N -0.610 120.014 120.570 0.090 0.000 2.286 190 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 190 I C 2.126 178.291 176.117 0.080 0.000 1.104 190 I CA 1.262 62.634 61.300 0.120 0.000 1.397 190 I CB -0.528 37.561 38.000 0.149 0.000 1.072 190 I HN 0.243 nan 8.210 nan 0.000 0.417 191 T N 0.835 115.402 114.554 0.021 0.000 2.720 191 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 191 T C 2.030 176.740 174.700 0.018 0.000 1.037 191 T CA 1.505 63.606 62.100 0.002 0.000 1.144 191 T CB -0.299 68.524 68.868 -0.075 0.000 0.864 191 T HN 0.483 nan 8.240 nan 0.000 0.444 192 A N 0.848 123.664 122.820 -0.007 0.000 1.908 192 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 192 A C 2.567 180.208 177.584 0.095 0.000 1.181 192 A CA 1.508 53.573 52.037 0.045 0.000 0.627 192 A CB -0.969 18.067 19.000 0.060 0.000 0.818 192 A HN 0.383 nan 8.150 nan 0.000 0.445 193 V N -0.384 119.590 119.914 0.101 0.000 2.358 193 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 193 V C 2.471 178.675 176.094 0.183 0.000 1.047 193 V CA 1.718 64.091 62.300 0.121 0.000 1.035 193 V CB -0.768 31.123 31.823 0.112 0.000 0.658 193 V HN 0.462 nan 8.190 nan 0.000 0.452 194 L N -0.683 120.677 121.223 0.229 0.000 2.046 194 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 194 L C 2.238 179.280 176.870 0.288 0.000 1.077 194 L CA 1.750 56.803 54.840 0.355 0.000 0.747 194 L CB -0.916 41.278 42.059 0.225 0.000 0.896 194 L HN 0.239 nan 8.230 nan 0.000 0.432 195 L N -1.733 119.599 121.223 0.182 0.000 2.046 195 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 195 L C 2.463 179.443 176.870 0.183 0.000 1.077 195 L CA 0.729 55.672 54.840 0.171 0.000 0.747 195 L CB -0.515 41.619 42.059 0.125 0.000 0.896 195 L HN 0.236 nan 8.230 nan 0.000 0.432 196 L N -0.369 120.950 121.223 0.161 0.000 2.079 196 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 196 L C 2.161 179.119 176.870 0.147 0.000 1.081 196 L CA 1.769 56.689 54.840 0.133 0.000 0.752 196 L CB -0.181 41.941 42.059 0.105 0.000 0.896 196 L HN 0.153 nan 8.230 nan 0.000 0.433 197 L N -1.953 119.390 121.223 0.200 0.000 2.416 197 L HA 0.046 4.386 4.340 -0.000 0.000 0.216 197 L C 2.329 179.436 176.870 0.396 0.000 1.098 197 L CA 0.813 55.785 54.840 0.220 0.000 0.840 197 L CB -0.430 41.653 42.059 0.039 0.000 0.981 197 L HN 0.375 nan 8.230 nan 0.000 0.462 198 S N -0.632 115.332 115.700 0.441 0.000 2.460 198 S HA -0.016 4.454 4.470 -0.000 0.000 0.226 198 S C 1.869 176.678 174.600 0.348 0.000 1.057 198 S CA -0.024 58.430 58.200 0.423 0.000 0.948 198 S CB -0.362 62.993 63.200 0.259 0.000 0.822 198 S HN 0.090 nan 8.310 nan 0.000 0.512 199 L N 2.990 124.372 121.223 0.264 0.000 2.043 199 L HA 0.063 4.403 4.340 -0.000 0.000 0.212 199 L C -0.870 175.999 176.870 -0.002 0.000 1.075 199 L CA 1.633 56.513 54.840 0.067 0.000 0.752 199 L CB -1.741 40.367 42.059 0.082 0.000 0.891 199 L HN 0.259 nan 8.230 nan 0.000 0.432 200 P HA -0.094 nan 4.420 nan 0.000 0.217 200 P C 2.054 179.365 177.300 0.018 0.000 1.150 200 P CA 0.924 64.045 63.100 0.035 0.000 0.832 200 P CB 0.117 31.849 31.700 0.055 0.000 0.787 201 V N -0.416 119.538 119.914 0.067 0.000 2.407 201 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 201 V C 2.357 178.425 176.094 -0.043 0.000 1.055 201 V CA 1.455 63.776 62.300 0.035 0.000 1.049 201 V CB -1.212 30.705 31.823 0.156 0.000 0.662 201 V HN 0.066 nan 8.190 nan 0.000 0.455 202 L N 1.206 122.361 121.223 -0.114 0.000 1.994 202 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 202 L C 2.487 179.250 176.870 -0.178 0.000 1.071 202 L CA 2.467 57.128 54.840 -0.299 0.000 0.745 202 L CB -0.884 40.694 42.059 -0.802 0.000 0.892 202 L HN 0.202 nan 8.230 nan 0.000 0.431 203 A N -0.485 122.272 122.820 -0.105 0.000 1.978 203 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 203 A C 2.417 180.043 177.584 0.069 0.000 1.170 203 A CA 1.859 53.927 52.037 0.052 0.000 0.636 203 A CB -1.151 17.903 19.000 0.090 0.000 0.810 203 A HN 0.648 nan 8.150 nan 0.000 0.448 204 A N -0.568 122.248 122.820 -0.008 0.000 1.898 204 A HA 0.198 4.518 4.320 -0.000 0.000 0.216 204 A C 2.390 179.953 177.584 -0.036 0.000 1.181 204 A CA 1.763 53.779 52.037 -0.035 0.000 0.620 204 A CB -1.284 17.677 19.000 -0.064 0.000 0.819 204 A HN 0.666 nan 8.150 nan 0.000 0.442 205 G N 0.897 109.677 108.800 -0.033 0.000 2.433 205 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 205 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 205 G C 1.520 176.509 174.900 0.148 0.000 1.186 205 G CA 1.224 46.339 45.100 0.025 0.000 0.779 205 G HN 0.825 nan 8.290 nan 0.000 0.543 206 I N -1.475 119.137 120.570 0.070 0.000 2.830 206 I HA 0.018 4.188 4.170 -0.000 0.000 0.263 206 I C 2.184 178.332 176.117 0.052 0.000 1.230 206 I CA 1.492 62.834 61.300 0.070 0.000 1.480 206 I CB -0.575 37.361 38.000 -0.107 0.000 1.095 206 I HN -0.050 nan 8.210 nan 0.000 0.455 207 T N 1.267 115.882 114.554 0.101 0.000 2.942 207 T HA 0.063 4.413 4.350 -0.000 0.000 0.265 207 T C 1.903 176.643 174.700 0.068 0.000 1.062 207 T CA 1.380 63.567 62.100 0.145 0.000 1.139 207 T CB -0.105 68.851 68.868 0.148 0.000 0.883 207 T HN 0.321 nan 8.240 nan 0.000 0.468 208 M N 0.329 119.927 119.600 -0.003 0.000 2.175 208 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 208 M C 2.183 178.589 176.300 0.176 0.000 1.063 208 M CA 1.108 56.308 55.300 -0.166 0.000 1.119 208 M CB -0.322 31.958 32.600 -0.535 0.000 1.377 208 M HN 0.178 nan 8.290 nan 0.000 0.415 209 L N 0.474 121.924 121.223 0.379 0.000 2.093 209 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 209 L C 2.118 179.078 176.870 0.150 0.000 1.085 209 L CA 1.521 56.581 54.840 0.365 0.000 0.755 209 L CB -0.599 41.593 42.059 0.221 0.000 0.904 209 L HN 0.218 nan 8.230 nan 0.000 0.435 210 L N -0.841 120.430 121.223 0.080 0.000 2.056 210 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 210 L C 2.538 179.449 176.870 0.068 0.000 1.078 210 L CA 2.318 57.166 54.840 0.015 0.000 0.749 210 L CB -0.827 41.224 42.059 -0.014 0.000 0.901 210 L HN 0.592 nan 8.230 nan 0.000 0.433 211 T N -4.594 110.032 114.554 0.119 0.000 2.857 211 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 211 T C 1.683 176.456 174.700 0.121 0.000 1.048 211 T CA 1.132 63.313 62.100 0.134 0.000 1.139 211 T CB -0.661 68.323 68.868 0.193 0.000 0.874 211 T HN 0.253 nan 8.240 nan 0.000 0.455 212 D N 2.425 122.917 120.400 0.153 0.000 2.228 212 D HA -0.086 4.554 4.640 -0.000 0.000 0.203 212 D C 2.083 178.426 176.300 0.073 0.000 0.988 212 D CA 1.034 55.100 54.000 0.110 0.000 0.864 212 D CB -0.125 40.772 40.800 0.161 0.000 0.928 212 D HN 0.746 nan 8.370 nan 0.000 0.469 213 R N -1.006 119.534 120.500 0.067 0.000 2.468 213 R HA 0.358 4.698 4.340 -0.000 0.000 0.280 213 R C 0.748 177.068 176.300 0.034 0.000 0.963 213 R CA -0.029 56.096 56.100 0.042 0.000 1.083 213 R CB 0.341 30.658 30.300 0.030 0.000 1.200 213 R HN -0.053 nan 8.270 nan 0.000 0.541 214 N N -0.525 118.200 118.700 0.042 0.000 1.983 214 N HA 0.073 4.813 4.740 -0.000 0.000 0.234 214 N C -0.087 175.450 175.510 0.045 0.000 1.339 214 N CA 0.099 53.176 53.050 0.044 0.000 0.826 214 N CB 0.730 39.249 38.487 0.053 0.000 1.156 214 N HN 0.062 nan 8.380 nan 0.000 0.468 215 L N 1.730 122.982 121.223 0.048 0.000 2.959 215 L HA 0.364 4.704 4.340 -0.000 0.000 0.259 215 L C -0.037 176.844 176.870 0.018 0.000 1.185 215 L CA 0.203 55.067 54.840 0.040 0.000 0.998 215 L CB -0.417 41.676 42.059 0.057 0.000 1.337 215 L HN -0.002 nan 8.230 nan 0.000 0.555 216 N N -0.079 118.627 118.700 0.011 0.000 2.735 216 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 216 N C 0.365 175.845 175.510 -0.049 0.000 1.083 216 N CA 1.265 54.307 53.050 -0.012 0.000 0.703 216 N CB -1.547 36.932 38.487 -0.014 0.000 1.005 216 N HN 0.536 nan 8.380 nan 0.000 0.550 217 T N -3.152 111.369 114.554 -0.056 0.000 2.881 217 T HA 0.626 4.976 4.350 -0.000 0.000 0.278 217 T C 1.116 175.699 174.700 -0.195 0.000 0.982 217 T CA -0.040 61.953 62.100 -0.178 0.000 0.989 217 T CB 1.892 70.650 68.868 -0.183 0.000 1.058 217 T HN 0.236 nan 8.240 nan 0.000 0.529 218 T N -1.482 112.860 114.554 -0.354 0.000 3.697 218 T HA 0.329 4.679 4.350 -0.000 0.000 0.260 218 T C 0.436 174.952 174.700 -0.306 0.000 0.998 218 T CA -0.648 61.312 62.100 -0.234 0.000 1.128 218 T CB -0.865 67.910 68.868 -0.156 0.000 1.082 218 T HN 0.387 nan 8.240 nan 0.000 0.541 219 F N 1.054 120.802 119.950 -0.337 0.000 2.126 219 F HA 0.139 4.666 4.527 -0.000 0.000 0.299 219 F C 1.193 176.665 175.800 -0.548 0.000 1.096 219 F CA 1.126 58.778 58.000 -0.580 0.000 1.255 219 F CB -0.364 38.004 39.000 -1.053 0.000 0.997 219 F HN 0.392 nan 8.300 nan 0.000 0.479 220 F N -1.491 118.578 119.950 0.199 0.000 2.668 220 F HA 0.246 4.773 4.527 -0.000 0.000 0.301 220 F C 0.047 175.876 175.800 0.049 0.000 1.106 220 F CA -0.902 57.164 58.000 0.110 0.000 1.289 220 F CB -0.266 38.785 39.000 0.085 0.000 1.006 220 F HN -0.263 nan 8.300 nan 0.000 0.535 221 D N 1.463 121.933 120.400 0.117 0.000 2.414 221 D HA 0.256 4.896 4.640 -0.000 0.000 0.232 221 D C -1.969 174.354 176.300 0.039 0.000 1.070 221 D CA -2.288 51.753 54.000 0.068 0.000 0.839 221 D CB 2.216 43.033 40.800 0.028 0.000 1.079 221 D HN -0.087 nan 8.370 nan 0.000 0.521 222 P HA -0.175 nan 4.420 nan 0.000 0.216 222 P C 1.078 178.388 177.300 0.017 0.000 1.150 222 P CA 1.486 64.608 63.100 0.036 0.000 0.843 222 P CB 0.302 32.026 31.700 0.040 0.000 0.787 223 A N -0.122 122.705 122.820 0.012 0.000 1.884 223 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 223 A C 2.394 179.970 177.584 -0.013 0.000 1.197 223 A CA 2.321 54.358 52.037 0.001 0.000 0.637 223 A CB -1.886 17.114 19.000 0.001 0.000 0.827 223 A HN 0.329 nan 8.150 nan 0.000 0.450 224 G N -2.758 106.025 108.800 -0.027 0.000 2.985 224 G HA2 0.385 4.345 3.960 -0.000 0.000 0.209 224 G HA3 0.385 4.345 3.960 -0.000 0.000 0.209 224 G C 1.071 175.942 174.900 -0.050 0.000 1.165 224 G CA 0.664 45.733 45.100 -0.051 0.000 0.776 224 G HN 1.769 nan 8.290 nan 0.000 0.541 225 G N -1.349 107.437 108.800 -0.024 0.000 2.163 225 G HA2 0.017 3.977 3.960 -0.000 0.000 0.213 225 G HA3 0.017 3.977 3.960 -0.000 0.000 0.213 225 G C 0.786 175.686 174.900 -0.001 0.000 0.991 225 G CA 0.138 45.231 45.100 -0.012 0.000 0.653 225 G HN 0.924 nan 8.290 nan 0.000 0.518 226 G N -0.764 108.035 108.800 -0.003 0.000 2.570 226 G HA2 0.467 4.427 3.960 -0.000 0.000 0.276 226 G HA3 0.467 4.427 3.960 -0.000 0.000 0.276 226 G C -0.591 174.369 174.900 0.099 0.000 1.346 226 G CA 0.645 45.764 45.100 0.031 0.000 1.034 226 G HN 0.485 nan 8.290 nan 0.000 0.512 227 D N -1.534 118.978 120.400 0.185 0.000 2.470 227 D HA 0.311 4.951 4.640 -0.000 0.000 0.233 227 D C -2.055 174.406 176.300 0.268 0.000 1.372 227 D CA -1.469 52.649 54.000 0.196 0.000 0.994 227 D CB 1.960 42.868 40.800 0.181 0.000 1.377 227 D HN -0.068 nan 8.370 nan 0.000 0.586 228 P HA -0.084 nan 4.420 nan 0.000 0.220 228 P C 1.547 178.821 177.300 -0.044 0.000 1.144 228 P CA 0.484 63.618 63.100 0.057 0.000 0.800 228 P CB 0.361 32.062 31.700 0.001 0.000 0.772 229 I N -1.490 119.085 120.570 0.009 0.000 2.439 229 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 229 I C 2.105 178.217 176.117 -0.007 0.000 1.139 229 I CA 0.859 62.121 61.300 -0.062 0.000 1.438 229 I CB -1.544 36.447 38.000 -0.015 0.000 1.085 229 I HN 0.004 nan 8.210 nan 0.000 0.427 230 L N 0.660 121.997 121.223 0.191 0.000 2.042 230 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 230 L C 2.601 179.593 176.870 0.203 0.000 1.076 230 L CA 1.890 56.919 54.840 0.314 0.000 0.749 230 L CB -1.136 41.196 42.059 0.455 0.000 0.893 230 L HN 0.269 nan 8.230 nan 0.000 0.432 231 Y N 0.016 120.190 120.300 -0.210 0.000 2.224 231 Y HA -0.269 4.281 4.550 -0.000 0.000 0.289 231 Y C 2.498 178.215 175.900 -0.306 0.000 1.146 231 Y CA 2.036 59.782 58.100 -0.590 0.000 1.182 231 Y CB -0.178 37.542 38.460 -1.233 0.000 0.983 231 Y HN 0.398 nan 8.280 nan 0.000 0.524 232 Q N -1.072 118.608 119.800 -0.201 0.000 2.124 232 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 232 Q C 1.948 177.969 176.000 0.034 0.000 0.977 232 Q CA 1.464 57.163 55.803 -0.173 0.000 0.850 232 Q CB -0.336 28.241 28.738 -0.268 0.000 0.901 232 Q HN 0.624 nan 8.270 nan 0.000 0.429 233 H N 0.721 119.857 119.070 0.111 0.000 2.299 233 H HA -0.043 4.513 4.556 -0.000 0.000 0.302 233 H C 2.288 177.576 175.328 -0.067 0.000 1.078 233 H CA 1.074 57.209 56.048 0.143 0.000 1.323 233 H CB -0.289 29.564 29.762 0.152 0.000 1.381 233 H HN 0.185 nan 8.280 nan 0.000 0.498 234 L N -0.458 120.760 121.223 -0.007 0.000 1.989 234 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 234 L C 2.569 179.345 176.870 -0.157 0.000 1.071 234 L CA 1.442 56.209 54.840 -0.123 0.000 0.749 234 L CB -0.681 41.293 42.059 -0.141 0.000 0.890 234 L HN 0.115 nan 8.230 nan 0.000 0.431 235 F N -0.084 119.554 119.950 -0.520 0.000 2.046 235 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 235 F C 2.146 177.711 175.800 -0.392 0.000 1.123 235 F CA 1.664 59.303 58.000 -0.600 0.000 1.199 235 F CB -0.526 37.873 39.000 -1.003 0.000 0.972 235 F HN -0.033 nan 8.300 nan 0.000 0.474 236 W N -1.030 120.334 121.300 0.107 0.000 2.421 236 W HA -0.176 4.484 4.660 -0.000 0.000 0.270 236 W C 2.227 178.730 176.519 -0.027 0.000 1.233 236 W CA 0.581 57.939 57.345 0.020 0.000 1.226 236 W CB -0.616 28.953 29.460 0.181 0.000 1.121 236 W HN 0.120 nan 8.180 nan 0.000 0.579 237 F N -0.159 119.745 119.950 -0.077 0.000 2.216 237 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 237 F C 2.102 177.839 175.800 -0.105 0.000 1.085 237 F CA 1.587 59.461 58.000 -0.210 0.000 1.326 237 F CB -0.543 38.210 39.000 -0.411 0.000 1.027 237 F HN -0.027 nan 8.300 nan 0.000 0.497 238 F N 0.157 120.003 119.950 -0.173 0.000 2.220 238 F HA 0.242 4.769 4.527 -0.000 0.000 0.290 238 F C 2.305 177.893 175.800 -0.353 0.000 1.080 238 F CA 1.254 59.087 58.000 -0.279 0.000 1.318 238 F CB -1.241 37.571 39.000 -0.313 0.000 1.063 238 F HN -0.116 nan 8.300 nan 0.000 0.498 239 G N -0.337 107.860 108.800 -1.004 0.000 2.545 239 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.222 239 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.222 239 G C 1.478 176.144 174.900 -0.390 0.000 1.126 239 G CA 1.692 46.235 45.100 -0.928 0.000 0.754 239 G HN 0.574 nan 8.290 nan 0.000 0.583 240 H N 1.360 120.305 119.070 -0.209 0.000 2.294 240 H HA 0.056 4.612 4.556 -0.000 0.000 0.306 240 H C 0.271 175.332 175.328 -0.445 0.000 1.065 240 H CA 1.305 57.234 56.048 -0.199 0.000 1.343 240 H CB -0.529 29.189 29.762 -0.074 0.000 1.396 240 H HN 0.233 nan 8.280 nan 0.000 0.506 241 P HA -0.203 nan 4.420 nan 0.000 0.218 241 P C 1.185 178.192 177.300 -0.488 0.000 1.152 241 P CA 2.064 64.839 63.100 -0.542 0.000 0.857 241 P CB 0.015 31.196 31.700 -0.864 0.000 0.787 242 E N -0.059 119.731 120.200 -0.684 0.000 2.130 242 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 242 E C 1.643 177.959 176.600 -0.473 0.000 0.998 242 E CA 1.575 57.599 56.400 -0.626 0.000 0.806 242 E CB -1.143 27.955 29.700 -1.004 0.000 0.738 242 E HN 0.177 nan 8.360 nan 0.000 0.459 243 V N -1.526 118.047 119.914 -0.569 0.000 2.871 243 V HA -0.085 4.035 4.120 -0.000 0.000 0.256 243 V C 1.782 177.644 176.094 -0.387 0.000 1.082 243 V CA 1.242 63.235 62.300 -0.512 0.000 1.105 243 V CB -0.861 30.610 31.823 -0.587 0.000 0.713 243 V HN 0.140 nan 8.190 nan 0.000 0.473 244 Y N 0.448 120.581 120.300 -0.279 0.000 2.365 244 Y HA 0.293 4.843 4.550 -0.000 0.000 0.293 244 Y C 2.337 178.130 175.900 -0.179 0.000 1.119 244 Y CA 0.460 58.450 58.100 -0.184 0.000 1.203 244 Y CB -0.473 37.926 38.460 -0.101 0.000 1.026 244 Y HN 0.201 nan 8.280 nan 0.000 0.549 245 I N -0.552 119.990 120.570 -0.046 0.000 2.423 245 I HA -0.303 3.867 4.170 -0.000 0.000 0.254 245 I C 1.866 177.916 176.117 -0.111 0.000 1.151 245 I CA 1.280 62.537 61.300 -0.071 0.000 1.421 245 I CB -0.255 37.685 38.000 -0.100 0.000 1.079 245 I HN 0.185 nan 8.210 nan 0.000 0.431 246 L N -0.638 120.491 121.223 -0.156 0.000 2.270 246 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 246 L C 2.219 179.007 176.870 -0.137 0.000 1.104 246 L CA 0.631 55.373 54.840 -0.163 0.000 0.804 246 L CB 0.006 41.931 42.059 -0.224 0.000 0.937 246 L HN 0.221 nan 8.230 nan 0.000 0.450 247 I N -0.903 119.569 120.570 -0.164 0.000 3.526 247 I HA -0.054 4.116 4.170 -0.000 0.000 0.294 247 I C 2.025 177.855 176.117 -0.479 0.000 1.229 247 I CA 0.813 61.931 61.300 -0.303 0.000 1.408 247 I CB 0.190 37.953 38.000 -0.396 0.000 1.127 247 I HN 0.015 nan 8.210 nan 0.000 0.439 248 L N 1.284 122.327 121.223 -0.300 0.000 1.990 248 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 248 L C -0.368 176.515 176.870 0.021 0.000 1.072 248 L CA 1.817 56.584 54.840 -0.123 0.000 0.755 248 L CB -1.986 40.072 42.059 -0.001 0.000 0.889 248 L HN 0.173 nan 8.230 nan 0.000 0.432 249 P HA -0.128 nan 4.420 nan 0.000 0.219 249 P C 1.435 178.828 177.300 0.155 0.000 1.146 249 P CA 1.587 64.746 63.100 0.098 0.000 0.808 249 P CB -0.147 31.591 31.700 0.064 0.000 0.779 250 G N -1.486 107.335 108.800 0.034 0.000 2.403 250 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 250 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 250 G C 1.186 176.094 174.900 0.014 0.000 1.154 250 G CA 0.229 45.316 45.100 -0.022 0.000 0.784 250 G HN 0.098 nan 8.290 nan 0.000 0.538 251 F N 2.019 121.985 119.950 0.026 0.000 2.095 251 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 251 F C 2.856 178.782 175.800 0.211 0.000 1.104 251 F CA 0.546 58.646 58.000 0.166 0.000 1.232 251 F CB -1.123 38.015 39.000 0.230 0.000 0.987 251 F HN 0.181 nan 8.300 nan 0.000 0.475 252 G N -0.157 108.906 108.800 0.438 0.000 2.514 252 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 252 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 252 G C 1.770 176.892 174.900 0.370 0.000 1.198 252 G CA 1.121 46.500 45.100 0.465 0.000 0.780 252 G HN 0.262 nan 8.290 nan 0.000 0.565 253 M N 0.100 119.806 119.600 0.177 0.000 2.108 253 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 253 M C 2.514 178.788 176.300 -0.043 0.000 1.066 253 M CA 1.082 56.381 55.300 -0.001 0.000 1.107 253 M CB -0.419 32.095 32.600 -0.143 0.000 1.356 253 M HN 0.131 nan 8.290 nan 0.000 0.406 254 I N -0.045 120.403 120.570 -0.203 0.000 2.163 254 I HA -0.235 3.935 4.170 -0.000 0.000 0.243 254 I C 2.475 178.409 176.117 -0.304 0.000 1.085 254 I CA 1.525 62.538 61.300 -0.478 0.000 1.347 254 I CB -1.489 35.855 38.000 -1.093 0.000 1.044 254 I HN 0.248 nan 8.210 nan 0.000 0.408 255 S N -0.167 115.565 115.700 0.053 0.000 2.370 255 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 255 S C 1.942 176.671 174.600 0.216 0.000 1.033 255 S CA 1.416 59.804 58.200 0.312 0.000 1.011 255 S CB -0.462 63.051 63.200 0.522 0.000 0.852 255 S HN 0.500 nan 8.310 nan 0.000 0.457 256 H N 0.907 120.046 119.070 0.116 0.000 2.357 256 H HA 0.124 4.680 4.556 -0.000 0.000 0.301 256 H C 2.008 177.280 175.328 -0.093 0.000 1.082 256 H CA 1.302 57.407 56.048 0.095 0.000 1.342 256 H CB -0.326 29.562 29.762 0.209 0.000 1.389 256 H HN 0.319 nan 8.280 nan 0.000 0.511 257 I N -0.730 119.776 120.570 -0.105 0.000 2.202 257 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 257 I C 2.136 178.250 176.117 -0.004 0.000 1.091 257 I CA 0.798 61.968 61.300 -0.217 0.000 1.368 257 I CB -0.240 37.581 38.000 -0.300 0.000 1.058 257 I HN 0.076 nan 8.210 nan 0.000 0.410 258 V N 0.680 120.552 119.914 -0.071 0.000 2.332 258 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 258 V C 2.519 178.634 176.094 0.035 0.000 1.055 258 V CA 2.518 64.795 62.300 -0.037 0.000 1.038 258 V CB -0.884 30.880 31.823 -0.098 0.000 0.651 258 V HN 0.489 nan 8.190 nan 0.000 0.450 259 T N -1.249 113.338 114.554 0.054 0.000 2.737 259 T HA -0.222 4.128 4.350 -0.000 0.000 0.265 259 T C 1.744 176.452 174.700 0.014 0.000 1.038 259 T CA 1.959 64.093 62.100 0.057 0.000 1.144 259 T CB -0.381 68.528 68.868 0.068 0.000 0.866 259 T HN 0.548 nan 8.240 nan 0.000 0.434 260 Y N 0.775 120.976 120.300 -0.166 0.000 2.128 260 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 260 Y C 1.720 177.351 175.900 -0.449 0.000 1.154 260 Y CA 1.334 59.232 58.100 -0.336 0.000 1.149 260 Y CB -0.338 37.815 38.460 -0.511 0.000 0.976 260 Y HN 0.264 nan 8.280 nan 0.000 0.505 261 Y N -1.323 118.985 120.300 0.014 0.000 2.529 261 Y HA 0.032 4.582 4.550 -0.000 0.000 0.290 261 Y C 2.108 177.913 175.900 -0.158 0.000 1.177 261 Y CA 0.755 58.799 58.100 -0.093 0.000 1.305 261 Y CB -0.038 38.356 38.460 -0.110 0.000 1.047 261 Y HN 0.007 nan 8.280 nan 0.000 0.522 262 S N -1.075 114.596 115.700 -0.048 0.000 2.556 262 S HA 0.205 4.675 4.470 -0.000 0.000 0.216 262 S C 1.775 176.320 174.600 -0.092 0.000 0.970 262 S CA 0.556 58.721 58.200 -0.059 0.000 0.912 262 S CB 0.021 63.212 63.200 -0.016 0.000 0.790 262 S HN 0.650 nan 8.310 nan 0.000 0.504 263 G N 1.722 110.420 108.800 -0.170 0.000 2.168 263 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 263 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 263 G C 0.040 174.859 174.900 -0.136 0.000 0.997 263 G CA 0.451 45.429 45.100 -0.203 0.000 0.708 263 G HN 0.399 nan 8.290 nan 0.000 0.520 264 K N -0.247 120.100 120.400 -0.089 0.000 2.098 264 K HA 0.599 4.919 4.320 -0.000 0.000 0.257 264 K C 1.555 178.135 176.600 -0.033 0.000 0.999 264 K CA -0.603 55.665 56.287 -0.032 0.000 0.924 264 K CB 0.579 33.094 32.500 0.025 0.000 1.028 264 K HN -0.068 nan 8.250 nan 0.000 0.466 265 K N 1.246 121.642 120.400 -0.008 0.000 2.021 265 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 265 K C 0.088 176.703 176.600 0.024 0.000 1.047 265 K CA 1.364 57.651 56.287 0.001 0.000 0.943 265 K CB 0.040 32.542 32.500 0.003 0.000 0.725 265 K HN 0.804 nan 8.250 nan 0.000 0.439 266 E N 0.896 121.120 120.200 0.040 0.000 2.392 266 E HA 0.402 4.752 4.350 -0.000 0.000 0.269 266 E C -2.771 173.897 176.600 0.113 0.000 0.924 266 E CA -2.288 54.151 56.400 0.064 0.000 0.784 266 E CB 1.961 31.685 29.700 0.039 0.000 1.292 266 E HN -0.199 nan 8.360 nan 0.000 0.447 267 P HA 0.063 nan 4.420 nan 0.000 0.274 267 P C -0.777 176.674 177.300 0.251 0.000 1.231 267 P CA -0.374 62.862 63.100 0.228 0.000 0.790 267 P CB 0.470 32.326 31.700 0.260 0.000 0.951 268 F N 1.805 121.832 119.950 0.129 0.000 2.518 268 F HA 0.339 4.866 4.527 -0.000 0.000 0.359 268 F C 1.411 177.264 175.800 0.089 0.000 1.118 268 F CA 1.337 59.398 58.000 0.102 0.000 1.287 268 F CB -0.128 38.929 39.000 0.095 0.000 1.132 268 F HN 0.705 nan 8.300 nan 0.000 0.587 269 G N 5.839 114.366 108.800 -0.455 0.000 2.371 269 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.299 269 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.299 269 G C 0.425 175.326 174.900 0.001 0.000 1.014 269 G CA 0.680 45.636 45.100 -0.240 0.000 1.097 269 G HN 1.075 nan 8.290 nan 0.000 0.512 270 Y N 0.246 120.507 120.300 -0.065 0.000 2.102 270 Y HA -0.247 4.303 4.550 -0.000 0.000 0.280 270 Y C 2.583 178.469 175.900 -0.023 0.000 1.178 270 Y CA 2.648 60.748 58.100 -0.000 0.000 1.146 270 Y CB -0.078 38.405 38.460 0.038 0.000 0.968 270 Y HN 0.396 nan 8.280 nan 0.000 0.504 271 M N -0.171 119.474 119.600 0.075 0.000 2.296 271 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 271 M C 2.350 178.586 176.300 -0.106 0.000 1.064 271 M CA 1.282 56.540 55.300 -0.070 0.000 1.109 271 M CB -1.742 30.855 32.600 -0.006 0.000 1.396 271 M HN 0.504 nan 8.290 nan 0.000 0.430 272 G N -0.468 108.288 108.800 -0.072 0.000 2.403 272 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 272 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 272 G C 1.526 176.454 174.900 0.046 0.000 1.154 272 G CA 0.439 45.535 45.100 -0.007 0.000 0.784 272 G HN 0.287 nan 8.290 nan 0.000 0.538 273 M N 0.244 119.791 119.600 -0.089 0.000 2.175 273 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 273 M C 2.518 178.663 176.300 -0.257 0.000 1.063 273 M CA 0.859 56.060 55.300 -0.164 0.000 1.119 273 M CB -0.171 32.329 32.600 -0.167 0.000 1.377 273 M HN 0.051 nan 8.290 nan 0.000 0.415 274 V N -1.507 118.155 119.914 -0.419 0.000 2.358 274 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 274 V C 1.933 177.816 176.094 -0.350 0.000 1.047 274 V CA 1.850 63.764 62.300 -0.644 0.000 1.035 274 V CB -0.866 30.359 31.823 -0.996 0.000 0.658 274 V HN 0.772 nan 8.190 nan 0.000 0.452 275 W N 1.193 122.294 121.300 -0.332 0.000 2.335 275 W HA -0.234 4.426 4.660 -0.000 0.000 0.311 275 W C 2.433 178.860 176.519 -0.153 0.000 1.213 275 W CA 2.354 59.578 57.345 -0.203 0.000 1.274 275 W CB -0.491 28.879 29.460 -0.150 0.000 1.148 275 W HN 0.195 nan 8.180 nan 0.000 0.498 276 A N 0.662 123.441 122.820 -0.068 0.000 1.873 276 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 276 A C 2.049 179.426 177.584 -0.346 0.000 1.193 276 A CA 2.639 54.486 52.037 -0.316 0.000 0.629 276 A CB -1.068 17.860 19.000 -0.120 0.000 0.826 276 A HN 0.446 nan 8.150 nan 0.000 0.447 277 M N -1.647 117.816 119.600 -0.227 0.000 2.159 277 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 277 M C 2.470 178.684 176.300 -0.142 0.000 1.063 277 M CA 1.768 56.992 55.300 -0.126 0.000 1.110 277 M CB -0.430 32.139 32.600 -0.051 0.000 1.374 277 M HN 0.429 nan 8.290 nan 0.000 0.411 278 M N -0.370 119.105 119.600 -0.207 0.000 2.117 278 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 278 M C 2.318 178.526 176.300 -0.153 0.000 1.065 278 M CA 1.543 56.757 55.300 -0.142 0.000 1.114 278 M CB -0.151 32.357 32.600 -0.152 0.000 1.361 278 M HN 0.204 nan 8.290 nan 0.000 0.408 279 S N 0.695 116.162 115.700 -0.388 0.000 2.348 279 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 279 S C 1.756 176.264 174.600 -0.152 0.000 1.033 279 S CA 1.275 59.272 58.200 -0.338 0.000 1.010 279 S CB -0.468 62.255 63.200 -0.796 0.000 0.891 279 S HN 0.403 nan 8.310 nan 0.000 0.442 280 I N 1.479 121.914 120.570 -0.224 0.000 2.194 280 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 280 I C 2.661 178.691 176.117 -0.146 0.000 1.093 280 I CA 1.305 62.471 61.300 -0.224 0.000 1.355 280 I CB -0.909 36.945 38.000 -0.244 0.000 1.046 280 I HN 0.386 nan 8.210 nan 0.000 0.413 281 G N 0.470 109.259 108.800 -0.019 0.000 2.408 281 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 281 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 281 G C 1.541 176.619 174.900 0.297 0.000 1.150 281 G CA 0.453 45.632 45.100 0.132 0.000 0.776 281 G HN 0.343 nan 8.290 nan 0.000 0.542 282 F N 1.285 121.297 119.950 0.104 0.000 2.098 282 F HA 0.165 4.692 4.527 -0.000 0.000 0.294 282 F C 2.396 178.311 175.800 0.192 0.000 1.107 282 F CA 0.855 58.950 58.000 0.158 0.000 1.234 282 F CB -0.464 38.569 39.000 0.055 0.000 1.002 282 F HN 0.024 nan 8.300 nan 0.000 0.472 283 L N 0.329 121.404 121.223 -0.246 0.000 2.127 283 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 283 L C 2.714 179.527 176.870 -0.094 0.000 1.089 283 L CA 1.243 55.895 54.840 -0.313 0.000 0.757 283 L CB -1.621 40.356 42.059 -0.136 0.000 0.899 283 L HN 0.384 nan 8.230 nan 0.000 0.434 284 G N -0.747 108.102 108.800 0.081 0.000 2.501 284 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 284 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 284 G C 1.297 176.217 174.900 0.033 0.000 1.114 284 G CA 0.417 45.683 45.100 0.277 0.000 0.757 284 G HN 0.273 nan 8.290 nan 0.000 0.559 285 F N 0.255 120.199 119.950 -0.009 0.000 2.698 285 F HA 0.278 4.805 4.527 -0.000 0.000 0.295 285 F C 2.040 177.878 175.800 0.063 0.000 1.124 285 F CA 0.104 58.063 58.000 -0.069 0.000 1.426 285 F CB 0.337 39.305 39.000 -0.053 0.000 1.120 285 F HN 0.210 nan 8.300 nan 0.000 0.583 286 I N -1.409 119.278 120.570 0.195 0.000 3.816 286 I HA 0.248 4.418 4.170 -0.000 0.000 0.334 286 I C 0.285 176.529 176.117 0.211 0.000 1.551 286 I CA 0.049 61.537 61.300 0.314 0.000 1.153 286 I CB 0.019 38.087 38.000 0.113 0.000 1.197 286 I HN -0.078 nan 8.210 nan 0.000 0.439 287 V N -3.352 116.662 119.914 0.167 0.000 3.337 287 V HA 0.202 4.322 4.120 -0.000 0.000 0.307 287 V C 1.629 177.503 176.094 -0.365 0.000 1.505 287 V CA -0.278 62.009 62.300 -0.022 0.000 1.072 287 V CB -1.009 30.698 31.823 -0.193 0.000 0.929 287 V HN 0.709 nan 8.190 nan 0.000 0.455 288 W N 2.437 123.639 121.300 -0.163 0.000 2.290 288 W HA -0.203 4.457 4.660 -0.000 0.000 0.311 288 W C 1.927 178.174 176.519 -0.454 0.000 1.238 288 W CA 2.429 59.648 57.345 -0.210 0.000 1.255 288 W CB -1.193 28.341 29.460 0.123 0.000 1.145 288 W HN 0.258 nan 8.180 nan 0.000 0.506 289 A N 1.717 123.691 122.820 -1.410 0.000 2.225 289 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 289 A C 1.820 178.713 177.584 -1.151 0.000 1.164 289 A CA 1.410 52.609 52.037 -1.397 0.000 0.710 289 A CB -1.862 15.718 19.000 -2.367 0.000 0.780 289 A HN 0.822 nan 8.150 nan 0.000 0.473 290 H N -3.291 115.174 119.070 -1.008 0.000 2.559 290 H HA 0.009 4.565 4.556 -0.000 0.000 0.273 290 H C 0.818 175.214 175.328 -1.554 0.000 1.000 290 H CA 0.880 55.972 56.048 -1.592 0.000 1.195 290 H CB -0.319 28.909 29.762 -0.891 0.000 1.368 290 H HN 0.652 nan 8.280 nan 0.000 0.592 291 H N 0.473 119.047 119.070 -0.828 0.000 2.526 291 H HA 0.230 4.786 4.556 -0.000 0.000 0.274 291 H C 0.442 175.421 175.328 -0.582 0.000 0.999 291 H CA 0.240 55.813 56.048 -0.793 0.000 1.157 291 H CB 0.515 29.328 29.762 -1.582 0.000 1.407 291 H HN 0.465 nan 8.280 nan 0.000 0.568 292 M N -0.375 118.917 119.600 -0.514 0.000 3.017 292 M HA 0.109 4.589 4.480 -0.000 0.000 0.423 292 M C 0.169 176.366 176.300 -0.171 0.000 1.395 292 M CA -0.225 54.910 55.300 -0.275 0.000 0.816 292 M CB 0.538 33.021 32.600 -0.194 0.000 1.440 292 M HN -0.096 nan 8.290 nan 0.000 0.506 293 F N 0.987 120.783 119.950 -0.256 0.000 2.216 293 F HA -0.079 4.448 4.527 -0.000 0.000 0.300 293 F C 2.565 178.253 175.800 -0.188 0.000 1.085 293 F CA 1.517 59.394 58.000 -0.205 0.000 1.326 293 F CB -0.810 38.079 39.000 -0.185 0.000 1.027 293 F HN 0.255 nan 8.300 nan 0.000 0.497 294 T N -3.439 111.054 114.554 -0.102 0.000 3.251 294 T HA 0.238 4.588 4.350 -0.000 0.000 0.259 294 T C 1.285 175.959 174.700 -0.043 0.000 0.998 294 T CA 0.212 62.260 62.100 -0.087 0.000 0.905 294 T CB -0.328 68.460 68.868 -0.133 0.000 1.067 294 T HN -0.012 nan 8.240 nan 0.000 0.569 295 V N 0.559 120.457 119.914 -0.028 0.000 3.590 295 V HA 0.451 4.571 4.120 -0.000 0.000 0.265 295 V C 1.795 177.902 176.094 0.022 0.000 1.239 295 V CA 0.895 63.192 62.300 -0.004 0.000 1.117 295 V CB -0.052 31.753 31.823 -0.031 0.000 0.818 295 V HN 0.874 nan 8.190 nan 0.000 0.451 296 G N 0.432 109.251 108.800 0.031 0.000 2.173 296 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.174 296 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.174 296 G C -0.118 174.816 174.900 0.058 0.000 1.025 296 G CA -0.004 45.122 45.100 0.042 0.000 0.706 296 G HN 0.348 nan 8.290 nan 0.000 0.499 297 M N 0.445 120.087 119.600 0.070 0.000 2.267 297 M HA 0.383 4.863 4.480 -0.000 0.000 0.303 297 M C 0.126 176.476 176.300 0.083 0.000 1.164 297 M CA -0.725 54.632 55.300 0.096 0.000 1.060 297 M CB 0.332 33.007 32.600 0.125 0.000 1.455 297 M HN 0.032 nan 8.290 nan 0.000 0.483 298 D N 1.065 121.521 120.400 0.093 0.000 2.455 298 D HA -0.030 4.610 4.640 -0.000 0.000 0.241 298 D C 0.928 177.269 176.300 0.068 0.000 1.138 298 D CA 0.003 54.048 54.000 0.074 0.000 0.877 298 D CB 0.960 41.806 40.800 0.077 0.000 1.187 298 D HN 0.389 nan 8.370 nan 0.000 0.451 299 V N 2.797 122.735 119.914 0.039 0.000 2.324 299 V HA -0.282 3.838 4.120 -0.000 0.000 0.250 299 V C 1.341 177.454 176.094 0.032 0.000 1.060 299 V CA 2.012 64.323 62.300 0.018 0.000 1.042 299 V CB -0.078 31.747 31.823 0.002 0.000 0.650 299 V HN 0.470 nan 8.190 nan 0.000 0.450 300 D N -0.246 120.182 120.400 0.046 0.000 2.097 300 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 300 D C 2.267 178.629 176.300 0.104 0.000 0.989 300 D CA 2.232 56.266 54.000 0.056 0.000 0.827 300 D CB -0.602 40.226 40.800 0.046 0.000 0.966 300 D HN 0.667 nan 8.370 nan 0.000 0.456 301 T N -0.351 114.287 114.554 0.141 0.000 2.821 301 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 301 T C 2.021 176.929 174.700 0.347 0.000 1.046 301 T CA 0.957 63.210 62.100 0.254 0.000 1.139 301 T CB -0.016 69.018 68.868 0.277 0.000 0.871 301 T HN -0.029 nan 8.240 nan 0.000 0.454 302 R N 0.337 120.966 120.500 0.215 0.000 2.152 302 R HA 0.161 4.501 4.340 -0.000 0.000 0.232 302 R C 2.773 179.100 176.300 0.044 0.000 1.117 302 R CA 1.222 57.413 56.100 0.152 0.000 0.981 302 R CB -0.489 29.808 30.300 -0.006 0.000 0.870 302 R HN 0.587 nan 8.270 nan 0.000 0.451 303 A N -0.273 122.571 122.820 0.040 0.000 1.930 303 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 303 A C 1.857 179.444 177.584 0.005 0.000 1.176 303 A CA 0.906 52.937 52.037 -0.011 0.000 0.632 303 A CB -0.616 18.384 19.000 0.001 0.000 0.819 303 A HN 0.472 nan 8.150 nan 0.000 0.445 304 Y N -0.062 120.219 120.300 -0.032 0.000 2.070 304 Y HA -0.238 4.312 4.550 -0.000 0.000 0.280 304 Y C 1.827 177.629 175.900 -0.164 0.000 1.148 304 Y CA 1.886 59.898 58.100 -0.148 0.000 1.125 304 Y CB -0.872 37.421 38.460 -0.279 0.000 0.975 304 Y HN 0.236 nan 8.280 nan 0.000 0.492 305 F N 0.638 120.329 119.950 -0.431 0.000 2.307 305 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 305 F C 2.749 178.450 175.800 -0.164 0.000 1.076 305 F CA 1.893 59.631 58.000 -0.436 0.000 1.383 305 F CB -0.930 37.992 39.000 -0.130 0.000 1.055 305 F HN 0.325 nan 8.300 nan 0.000 0.526 306 T N -3.694 110.893 114.554 0.056 0.000 2.978 306 T HA -0.063 4.287 4.350 -0.000 0.000 0.262 306 T C 2.162 176.822 174.700 -0.068 0.000 1.063 306 T CA 1.322 63.446 62.100 0.041 0.000 1.140 306 T CB -0.436 68.373 68.868 -0.099 0.000 0.886 306 T HN 0.122 nan 8.240 nan 0.000 0.470 307 S N 1.898 117.511 115.700 -0.144 0.000 2.335 307 S HA 0.193 4.663 4.470 -0.000 0.000 0.217 307 S C 2.666 177.160 174.600 -0.177 0.000 1.032 307 S CA 0.978 59.097 58.200 -0.135 0.000 0.985 307 S CB -1.031 62.100 63.200 -0.114 0.000 0.896 307 S HN 0.758 nan 8.310 nan 0.000 0.445 308 A N 1.402 124.001 122.820 -0.368 0.000 1.927 308 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 308 A C 2.279 179.754 177.584 -0.182 0.000 1.185 308 A CA 2.271 54.095 52.037 -0.354 0.000 0.639 308 A CB -1.437 17.108 19.000 -0.759 0.000 0.820 308 A HN 0.493 nan 8.150 nan 0.000 0.451 309 T N -0.302 114.176 114.554 -0.126 0.000 2.867 309 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 309 T C 1.820 176.506 174.700 -0.023 0.000 1.057 309 T CA 1.549 63.639 62.100 -0.018 0.000 1.136 309 T CB -0.249 68.664 68.868 0.076 0.000 0.874 309 T HN 0.471 nan 8.240 nan 0.000 0.466 310 M N 0.881 120.458 119.600 -0.039 0.000 2.349 310 M HA 0.142 4.622 4.480 -0.000 0.000 0.266 310 M C 2.118 178.416 176.300 -0.003 0.000 1.076 310 M CA 1.010 56.297 55.300 -0.022 0.000 1.126 310 M CB -0.407 32.176 32.600 -0.028 0.000 1.392 310 M HN 0.337 nan 8.290 nan 0.000 0.440 311 I N -1.995 118.570 120.570 -0.009 0.000 3.001 311 I HA -0.118 4.052 4.170 -0.000 0.000 0.268 311 I C 1.681 177.810 176.117 0.019 0.000 1.267 311 I CA 0.884 62.193 61.300 0.014 0.000 1.472 311 I CB -0.624 37.387 38.000 0.019 0.000 1.089 311 I HN 0.198 nan 8.210 nan 0.000 0.468 312 I N 2.048 122.627 120.570 0.014 0.000 2.756 312 I HA -0.156 4.014 4.170 -0.000 0.000 0.262 312 I C 2.908 179.047 176.117 0.037 0.000 1.225 312 I CA 0.954 62.264 61.300 0.018 0.000 1.472 312 I CB -0.422 37.618 38.000 0.067 0.000 1.094 312 I HN 0.314 nan 8.210 nan 0.000 0.454 313 A N 1.442 124.291 122.820 0.048 0.000 1.969 313 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 313 A C 2.274 179.901 177.584 0.070 0.000 1.169 313 A CA 1.196 53.268 52.037 0.059 0.000 0.635 313 A CB -0.541 18.488 19.000 0.048 0.000 0.810 313 A HN 0.335 nan 8.150 nan 0.000 0.445 314 I N 0.510 121.129 120.570 0.080 0.000 2.058 314 I HA -0.191 3.979 4.170 -0.000 0.000 0.235 314 I C -0.226 175.975 176.117 0.140 0.000 1.053 314 I CA 1.865 63.242 61.300 0.127 0.000 1.313 314 I CB -1.311 36.782 38.000 0.156 0.000 1.039 314 I HN 0.242 nan 8.210 nan 0.000 0.396 315 P HA -0.160 nan 4.420 nan 0.000 0.215 315 P C 1.603 178.876 177.300 -0.044 0.000 1.153 315 P CA 1.909 65.003 63.100 -0.010 0.000 0.853 315 P CB -0.373 31.124 31.700 -0.338 0.000 0.788 316 T N -0.359 114.170 114.554 -0.041 0.000 2.759 316 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 316 T C 2.126 176.767 174.700 -0.099 0.000 1.042 316 T CA 1.815 63.883 62.100 -0.053 0.000 1.140 316 T CB -1.165 67.779 68.868 0.127 0.000 0.864 316 T HN 0.246 nan 8.240 nan 0.000 0.455 317 G N 1.505 110.297 108.800 -0.014 0.000 2.418 317 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 317 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 317 G C 1.838 176.749 174.900 0.019 0.000 1.158 317 G CA 1.089 46.179 45.100 -0.016 0.000 0.771 317 G HN 0.553 nan 8.290 nan 0.000 0.545 318 V N -0.452 119.517 119.914 0.092 0.000 2.594 318 V HA -0.060 4.060 4.120 -0.000 0.000 0.253 318 V C 2.360 178.394 176.094 -0.100 0.000 1.069 318 V CA 2.458 64.823 62.300 0.109 0.000 1.082 318 V CB -0.431 31.505 31.823 0.187 0.000 0.680 318 V HN 0.352 nan 8.190 nan 0.000 0.469 319 K N 0.209 120.405 120.400 -0.341 0.000 2.031 319 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 319 K C 2.242 178.231 176.600 -1.018 0.000 1.049 319 K CA 1.485 57.289 56.287 -0.805 0.000 0.939 319 K CB -0.439 31.392 32.500 -1.115 0.000 0.717 319 K HN 0.474 nan 8.250 nan 0.000 0.438 320 V N 1.196 120.703 119.914 -0.679 0.000 2.287 320 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 320 V C 2.091 178.045 176.094 -0.233 0.000 1.053 320 V CA 1.807 63.894 62.300 -0.355 0.000 1.027 320 V CB -0.558 31.057 31.823 -0.347 0.000 0.646 320 V HN 0.140 nan 8.190 nan 0.000 0.447 321 F N 0.402 120.315 119.950 -0.061 0.000 2.293 321 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 321 F C 2.647 178.386 175.800 -0.101 0.000 1.086 321 F CA 1.337 59.306 58.000 -0.051 0.000 1.375 321 F CB -0.997 37.971 39.000 -0.052 0.000 1.045 321 F HN 0.031 nan 8.300 nan 0.000 0.516 322 S N -1.078 114.628 115.700 0.010 0.000 2.368 322 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 322 S C 1.878 176.543 174.600 0.109 0.000 1.029 322 S CA 0.973 59.194 58.200 0.036 0.000 0.988 322 S CB -0.383 62.831 63.200 0.024 0.000 0.838 322 S HN 0.396 nan 8.310 nan 0.000 0.462 323 W N 1.106 122.441 121.300 0.059 0.000 2.374 323 W HA 0.027 4.687 4.660 -0.000 0.000 0.288 323 W C 1.795 178.338 176.519 0.040 0.000 1.218 323 W CA 0.165 57.542 57.345 0.053 0.000 1.245 323 W CB -1.180 28.308 29.460 0.046 0.000 1.126 323 W HN 0.295 nan 8.180 nan 0.000 0.545 324 L N 0.652 122.035 121.223 0.268 0.000 2.027 324 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 324 L C 2.696 179.592 176.870 0.044 0.000 1.074 324 L CA 2.332 57.269 54.840 0.162 0.000 0.745 324 L CB -1.736 40.434 42.059 0.184 0.000 0.898 324 L HN -0.084 nan 8.230 nan 0.000 0.433 325 A N -1.680 121.077 122.820 -0.104 0.000 2.024 325 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 325 A C 2.315 179.852 177.584 -0.079 0.000 1.164 325 A CA 2.221 54.041 52.037 -0.361 0.000 0.643 325 A CB -0.923 17.368 19.000 -1.182 0.000 0.806 325 A HN 0.467 nan 8.150 nan 0.000 0.451 326 T N 0.265 114.876 114.554 0.093 0.000 2.857 326 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 326 T C 1.723 176.509 174.700 0.143 0.000 1.048 326 T CA 1.299 63.515 62.100 0.193 0.000 1.139 326 T CB -0.311 68.705 68.868 0.247 0.000 0.874 326 T HN 0.401 nan 8.240 nan 0.000 0.455 327 L N 0.121 121.416 121.223 0.120 0.000 2.201 327 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 327 L C 2.316 179.254 176.870 0.113 0.000 1.105 327 L CA 0.763 55.652 54.840 0.081 0.000 0.775 327 L CB -0.661 41.435 42.059 0.062 0.000 0.913 327 L HN 0.296 nan 8.230 nan 0.000 0.440 328 H N 1.069 120.145 119.070 0.010 0.000 2.760 328 H HA -0.263 4.293 4.556 -0.000 0.000 0.231 328 H C 1.855 177.191 175.328 0.013 0.000 1.018 328 H CA 1.793 57.844 56.048 0.004 0.000 1.430 328 H CB -0.795 28.959 29.762 -0.014 0.000 1.930 328 H HN 0.216 nan 8.280 nan 0.000 0.981 329 G N 0.182 108.877 108.800 -0.175 0.000 3.061 329 G HA2 0.170 4.130 3.960 -0.000 0.000 0.208 329 G HA3 0.170 4.130 3.960 -0.000 0.000 0.208 329 G C 0.733 175.581 174.900 -0.086 0.000 1.175 329 G CA 0.464 45.429 45.100 -0.225 0.000 0.812 329 G HN 0.695 nan 8.290 nan 0.000 0.523 330 G N 0.135 108.915 108.800 -0.034 0.000 2.630 330 G HA2 0.201 4.161 3.960 -0.000 0.000 0.236 330 G HA3 0.201 4.161 3.960 -0.000 0.000 0.236 330 G C -0.006 174.870 174.900 -0.041 0.000 1.248 330 G CA -0.500 44.581 45.100 -0.032 0.000 0.844 330 G HN 0.251 nan 8.290 nan 0.000 0.588 331 N N 0.616 119.286 118.700 -0.050 0.000 2.918 331 N HA 0.189 4.929 4.740 -0.000 0.000 0.247 331 N C -0.061 175.418 175.510 -0.052 0.000 1.117 331 N CA -0.592 52.432 53.050 -0.043 0.000 1.005 331 N CB -0.119 38.336 38.487 -0.055 0.000 1.297 331 N HN 0.265 nan 8.380 nan 0.000 0.513 332 I N 1.523 122.061 120.570 -0.053 0.000 2.683 332 I HA -0.028 4.142 4.170 -0.000 0.000 0.286 332 I C 0.902 176.959 176.117 -0.100 0.000 1.175 332 I CA 0.600 61.824 61.300 -0.127 0.000 1.429 332 I CB 0.444 38.302 38.000 -0.236 0.000 1.371 332 I HN 0.333 nan 8.210 nan 0.000 0.569 333 K N 6.271 126.600 120.400 -0.118 0.000 2.425 333 K HA 0.246 4.566 4.320 -0.000 0.000 0.259 333 K C -1.161 175.361 176.600 -0.129 0.000 0.978 333 K CA -0.624 55.661 56.287 -0.004 0.000 0.883 333 K CB 0.594 33.174 32.500 0.133 0.000 1.110 333 K HN 0.470 nan 8.250 nan 0.000 0.436 334 W N 4.312 125.583 121.300 -0.048 0.000 1.224 334 W HA 0.028 4.688 4.660 -0.000 0.000 0.503 334 W C 0.571 176.996 176.519 -0.156 0.000 0.592 334 W CA -0.343 56.931 57.345 -0.119 0.000 2.414 334 W CB -0.273 29.122 29.460 -0.107 0.000 1.352 334 W HN 0.408 nan 8.180 nan 0.000 0.226 335 S N -0.305 115.317 115.700 -0.131 0.000 2.652 335 S HA 0.364 4.834 4.470 -0.000 0.000 0.270 335 S C -1.505 172.935 174.600 -0.267 0.000 1.243 335 S CA -1.290 56.797 58.200 -0.188 0.000 0.999 335 S CB 1.836 64.818 63.200 -0.363 0.000 0.973 335 S HN -0.044 nan 8.310 nan 0.000 0.544 336 P HA -0.140 nan 4.420 nan 0.000 0.215 336 P C 1.678 178.892 177.300 -0.143 0.000 1.163 336 P CA 2.256 65.280 63.100 -0.127 0.000 0.894 336 P CB -0.281 31.463 31.700 0.073 0.000 0.791 337 A N -1.145 121.584 122.820 -0.152 0.000 1.940 337 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 337 A C 2.216 179.595 177.584 -0.342 0.000 1.176 337 A CA 2.299 54.240 52.037 -0.159 0.000 0.631 337 A CB -1.472 17.366 19.000 -0.270 0.000 0.814 337 A HN 0.145 nan 8.150 nan 0.000 0.446 338 M N -0.647 118.585 119.600 -0.613 0.000 2.229 338 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 338 M C 1.946 177.985 176.300 -0.437 0.000 1.063 338 M CA 1.585 56.570 55.300 -0.525 0.000 1.114 338 M CB -0.596 31.637 32.600 -0.612 0.000 1.387 338 M HN 0.433 nan 8.290 nan 0.000 0.420 339 M N -2.064 117.216 119.600 -0.532 0.000 2.132 339 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 339 M C 1.871 177.669 176.300 -0.837 0.000 1.065 339 M CA 1.767 56.563 55.300 -0.839 0.000 1.122 339 M CB -0.659 31.129 32.600 -1.353 0.000 1.365 339 M HN 0.363 nan 8.290 nan 0.000 0.411 340 W N 0.400 121.382 121.300 -0.529 0.000 2.388 340 W HA -0.094 4.566 4.660 -0.000 0.000 0.294 340 W C 2.742 179.277 176.519 0.027 0.000 1.212 340 W CA 1.046 58.268 57.345 -0.205 0.000 1.271 340 W CB -0.409 28.961 29.460 -0.150 0.000 1.126 340 W HN 0.214 nan 8.180 nan 0.000 0.535 341 A N 0.131 123.007 122.820 0.093 0.000 1.933 341 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 341 A C 1.918 179.558 177.584 0.093 0.000 1.175 341 A CA 1.388 53.427 52.037 0.003 0.000 0.628 341 A CB -0.933 17.967 19.000 -0.168 0.000 0.814 341 A HN 0.296 nan 8.150 nan 0.000 0.444 342 L N -0.847 120.405 121.223 0.048 0.000 2.027 342 L HA -0.063 4.277 4.340 -0.000 0.000 0.206 342 L C 2.884 179.960 176.870 0.343 0.000 1.074 342 L CA 1.013 55.926 54.840 0.122 0.000 0.745 342 L CB -0.948 41.114 42.059 0.004 0.000 0.898 342 L HN 0.466 nan 8.230 nan 0.000 0.433 343 G N 0.069 109.148 108.800 0.465 0.000 2.491 343 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.218 343 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.218 343 G C 1.499 176.851 174.900 0.754 0.000 1.180 343 G CA 0.958 46.544 45.100 0.809 0.000 0.774 343 G HN 0.296 nan 8.290 nan 0.000 0.562 344 F N 1.651 121.969 119.950 0.613 0.000 2.065 344 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 344 F C 2.559 178.558 175.800 0.331 0.000 1.112 344 F CA 1.744 59.980 58.000 0.394 0.000 1.212 344 F CB -0.360 38.801 39.000 0.268 0.000 0.975 344 F HN 0.133 nan 8.300 nan 0.000 0.476 345 I N -0.844 120.085 120.570 0.598 0.000 2.194 345 I HA -0.335 3.835 4.170 -0.000 0.000 0.246 345 I C 2.308 178.685 176.117 0.433 0.000 1.093 345 I CA 1.689 63.293 61.300 0.506 0.000 1.355 345 I CB -0.664 37.576 38.000 0.400 0.000 1.046 345 I HN 0.257 nan 8.210 nan 0.000 0.413 346 F N 1.136 121.243 119.950 0.263 0.000 2.074 346 F HA -0.104 4.423 4.527 -0.000 0.000 0.290 346 F C 2.137 178.035 175.800 0.163 0.000 1.118 346 F CA 1.315 59.441 58.000 0.210 0.000 1.199 346 F CB -0.433 38.705 39.000 0.230 0.000 1.012 346 F HN -0.185 nan 8.300 nan 0.000 0.472 347 L N 0.021 121.274 121.223 0.048 0.000 2.013 347 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 347 L C 2.392 179.168 176.870 -0.156 0.000 1.073 347 L CA 1.839 56.602 54.840 -0.128 0.000 0.753 347 L CB -2.004 39.969 42.059 -0.144 0.000 0.890 347 L HN 0.326 nan 8.230 nan 0.000 0.432 348 F N 0.163 119.919 119.950 -0.323 0.000 2.171 348 F HA -0.222 4.305 4.527 -0.000 0.000 0.300 348 F C 2.380 178.075 175.800 -0.174 0.000 1.090 348 F CA 1.797 59.578 58.000 -0.365 0.000 1.293 348 F CB -0.391 38.147 39.000 -0.770 0.000 1.013 348 F HN 0.036 nan 8.300 nan 0.000 0.486 349 T N 0.223 114.702 114.554 -0.125 0.000 2.708 349 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 349 T C 2.162 176.673 174.700 -0.315 0.000 1.037 349 T CA 1.714 63.707 62.100 -0.180 0.000 1.146 349 T CB -0.635 68.212 68.868 -0.034 0.000 0.865 349 T HN 0.134 nan 8.240 nan 0.000 0.435 350 V N 1.355 121.036 119.914 -0.388 0.000 2.255 350 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 350 V C 2.879 178.773 176.094 -0.332 0.000 1.051 350 V CA 2.105 64.179 62.300 -0.377 0.000 1.018 350 V CB -1.340 30.215 31.823 -0.446 0.000 0.641 350 V HN 0.609 nan 8.190 nan 0.000 0.445 351 G N -0.442 108.179 108.800 -0.299 0.000 2.448 351 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 351 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 351 G C 1.496 176.253 174.900 -0.238 0.000 1.127 351 G CA 0.944 45.883 45.100 -0.268 0.000 0.766 351 G HN 0.619 nan 8.290 nan 0.000 0.552 352 G N 0.019 108.560 108.800 -0.432 0.000 2.603 352 G HA2 0.084 4.044 3.960 -0.000 0.000 0.214 352 G HA3 0.084 4.044 3.960 -0.000 0.000 0.214 352 G C 1.555 176.362 174.900 -0.156 0.000 1.140 352 G CA 0.261 45.168 45.100 -0.321 0.000 0.800 352 G HN 0.292 nan 8.290 nan 0.000 0.533 353 L N 0.812 121.930 121.223 -0.174 0.000 2.056 353 L HA 0.076 4.416 4.340 -0.000 0.000 0.207 353 L C 2.885 179.709 176.870 -0.076 0.000 1.078 353 L CA 1.739 56.515 54.840 -0.106 0.000 0.749 353 L CB -1.004 40.987 42.059 -0.113 0.000 0.901 353 L HN 0.141 nan 8.230 nan 0.000 0.433 354 T N -1.191 113.309 114.554 -0.090 0.000 2.929 354 T HA -0.101 4.249 4.350 -0.000 0.000 0.271 354 T C 1.564 176.225 174.700 -0.064 0.000 1.085 354 T CA 1.155 63.228 62.100 -0.046 0.000 1.125 354 T CB -0.286 68.490 68.868 -0.153 0.000 0.874 354 T HN 0.554 nan 8.240 nan 0.000 0.494 355 G N 0.428 109.155 108.800 -0.121 0.000 2.551 355 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 355 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 355 G C 1.412 176.174 174.900 -0.231 0.000 1.137 355 G CA -0.026 44.837 45.100 -0.395 0.000 0.798 355 G HN 0.408 nan 8.290 nan 0.000 0.536 356 I N 0.972 121.474 120.570 -0.114 0.000 2.353 356 I HA -0.061 4.109 4.170 -0.000 0.000 0.248 356 I C 2.845 178.916 176.117 -0.076 0.000 1.119 356 I CA 0.570 61.821 61.300 -0.080 0.000 1.417 356 I CB -0.696 37.278 38.000 -0.043 0.000 1.078 356 I HN 0.009 nan 8.210 nan 0.000 0.421 357 V N 1.269 121.151 119.914 -0.054 0.000 2.233 357 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 357 V C 2.519 178.567 176.094 -0.076 0.000 1.050 357 V CA 1.663 63.936 62.300 -0.044 0.000 1.010 357 V CB -0.550 31.289 31.823 0.027 0.000 0.637 357 V HN 0.330 nan 8.190 nan 0.000 0.444 358 L N 0.140 121.310 121.223 -0.089 0.000 2.353 358 L HA -0.114 4.226 4.340 -0.000 0.000 0.220 358 L C 2.532 179.353 176.870 -0.082 0.000 1.133 358 L CA 0.993 55.770 54.840 -0.106 0.000 0.798 358 L CB -0.787 41.159 42.059 -0.188 0.000 0.922 358 L HN 0.368 nan 8.230 nan 0.000 0.445 359 A N 0.074 122.829 122.820 -0.108 0.000 2.015 359 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 359 A C 0.813 178.425 177.584 0.047 0.000 1.163 359 A CA 0.750 52.758 52.037 -0.048 0.000 0.646 359 A CB -0.738 18.213 19.000 -0.082 0.000 0.806 359 A HN 0.467 nan 8.150 nan 0.000 0.448 360 N N 0.606 119.279 118.700 -0.044 0.000 2.405 360 N HA 0.234 4.974 4.740 -0.000 0.000 0.260 360 N C 1.189 176.553 175.510 -0.244 0.000 1.152 360 N CA 0.401 53.370 53.050 -0.133 0.000 0.948 360 N CB 1.134 39.551 38.487 -0.116 0.000 1.111 360 N HN 0.376 nan 8.380 nan 0.000 0.485 361 S N 1.517 116.850 115.700 -0.613 0.000 2.359 361 S HA -0.283 4.187 4.470 -0.000 0.000 0.224 361 S C 1.960 176.315 174.600 -0.408 0.000 1.035 361 S CA 1.458 59.061 58.200 -0.994 0.000 1.018 361 S CB -0.661 61.705 63.200 -1.390 0.000 0.876 361 S HN 0.623 nan 8.310 nan 0.000 0.448 362 S N 2.919 118.447 115.700 -0.287 0.000 2.359 362 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 362 S C 1.833 176.359 174.600 -0.124 0.000 1.038 362 S CA 1.338 59.437 58.200 -0.169 0.000 1.051 362 S CB -1.046 62.074 63.200 -0.132 0.000 0.944 362 S HN 0.341 nan 8.310 nan 0.000 0.433 363 L N 2.593 123.743 121.223 -0.122 0.000 2.141 363 L HA 0.039 4.379 4.340 -0.000 0.000 0.209 363 L C 2.057 178.875 176.870 -0.086 0.000 1.094 363 L CA 1.920 56.697 54.840 -0.105 0.000 0.763 363 L CB -1.082 40.907 42.059 -0.117 0.000 0.908 363 L HN 0.367 nan 8.230 nan 0.000 0.437 364 D N -0.982 119.381 120.400 -0.062 0.000 2.264 364 D HA -0.187 4.453 4.640 -0.000 0.000 0.208 364 D C 2.258 178.596 176.300 0.062 0.000 0.966 364 D CA 0.764 54.782 54.000 0.030 0.000 0.864 364 D CB -0.025 40.888 40.800 0.188 0.000 0.933 364 D HN 0.417 nan 8.370 nan 0.000 0.499 365 I N -0.290 120.285 120.570 0.008 0.000 2.208 365 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 365 I C 2.220 178.368 176.117 0.052 0.000 1.097 365 I CA 0.945 62.262 61.300 0.028 0.000 1.363 365 I CB -0.114 37.879 38.000 -0.012 0.000 1.051 365 I HN 0.078 nan 8.210 nan 0.000 0.413 366 V N 0.407 120.328 119.914 0.011 0.000 3.506 366 V HA 0.017 4.137 4.120 -0.000 0.000 0.263 366 V C 1.784 177.874 176.094 -0.006 0.000 1.203 366 V CA 0.817 63.121 62.300 0.007 0.000 1.133 366 V CB 0.267 32.081 31.823 -0.016 0.000 0.802 366 V HN 0.295 nan 8.190 nan 0.000 0.459 367 L N -0.370 120.842 121.223 -0.018 0.000 2.463 367 L HA 0.238 4.578 4.340 -0.000 0.000 0.219 367 L C 1.287 178.183 176.870 0.044 0.000 1.088 367 L CA 0.095 54.906 54.840 -0.048 0.000 0.849 367 L CB -0.361 41.595 42.059 -0.173 0.000 1.012 367 L HN 0.473 nan 8.230 nan 0.000 0.468 368 H N 0.698 119.769 119.070 0.001 0.000 2.929 368 H HA -0.118 4.438 4.556 -0.000 0.000 0.358 368 H C 0.429 175.777 175.328 0.033 0.000 1.111 368 H CA 0.599 56.663 56.048 0.026 0.000 1.409 368 H CB 0.287 30.077 29.762 0.045 0.000 1.373 368 H HN 0.092 nan 8.280 nan 0.000 0.610 369 D N 1.393 121.353 120.400 -0.734 0.000 2.792 369 D HA -0.217 4.423 4.640 -0.000 0.000 0.231 369 D C -0.291 175.886 176.300 -0.205 0.000 1.160 369 D CA 1.497 55.199 54.000 -0.497 0.000 0.697 369 D CB -0.849 39.632 40.800 -0.532 0.000 1.070 369 D HN 0.761 nan 8.370 nan 0.000 0.426 370 T N -4.233 110.249 114.554 -0.119 0.000 2.883 370 T HA 0.413 4.763 4.350 -0.000 0.000 0.284 370 T C 1.020 175.702 174.700 -0.030 0.000 1.041 370 T CA -0.716 61.358 62.100 -0.045 0.000 1.007 370 T CB 0.895 69.763 68.868 -0.000 0.000 1.220 370 T HN -0.101 nan 8.240 nan 0.000 0.552 371 Y N -0.554 119.674 120.300 -0.121 0.000 2.616 371 Y HA 0.102 4.652 4.550 -0.000 0.000 0.296 371 Y C 1.959 177.769 175.900 -0.149 0.000 1.154 371 Y CA 0.315 58.331 58.100 -0.140 0.000 1.325 371 Y CB -0.623 37.730 38.460 -0.179 0.000 1.007 371 Y HN 0.802 nan 8.280 nan 0.000 0.542 372 Y N -0.568 119.665 120.300 -0.113 0.000 2.145 372 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 372 Y C 2.588 178.363 175.900 -0.208 0.000 1.145 372 Y CA 1.808 59.798 58.100 -0.183 0.000 1.148 372 Y CB -0.457 37.934 38.460 -0.114 0.000 0.981 372 Y HN -0.006 nan 8.280 nan 0.000 0.507 373 V N -0.933 119.004 119.914 0.039 0.000 2.759 373 V HA -0.146 3.974 4.120 -0.000 0.000 0.256 373 V C 1.779 177.764 176.094 -0.182 0.000 1.080 373 V CA 1.830 64.154 62.300 0.041 0.000 1.101 373 V CB -0.727 31.186 31.823 0.150 0.000 0.698 373 V HN 0.271 nan 8.190 nan 0.000 0.477 374 V N 0.868 120.526 119.914 -0.428 0.000 2.548 374 V HA -0.060 4.060 4.120 -0.000 0.000 0.249 374 V C 2.961 178.582 176.094 -0.788 0.000 1.055 374 V CA 1.806 63.583 62.300 -0.871 0.000 1.065 374 V CB -1.094 30.281 31.823 -0.746 0.000 0.681 374 V HN 0.675 nan 8.190 nan 0.000 0.462 375 A N 0.019 122.492 122.820 -0.578 0.000 1.872 375 A HA -0.245 4.075 4.320 -0.000 0.000 0.214 375 A C 2.113 179.391 177.584 -0.509 0.000 1.187 375 A CA 2.004 53.683 52.037 -0.597 0.000 0.614 375 A CB -0.841 17.473 19.000 -1.143 0.000 0.826 375 A HN 0.718 nan 8.150 nan 0.000 0.442 376 H N 0.451 119.169 119.070 -0.586 0.000 2.265 376 H HA -0.254 4.302 4.556 -0.000 0.000 0.293 376 H C 1.602 176.807 175.328 -0.204 0.000 1.089 376 H CA 2.709 58.540 56.048 -0.362 0.000 1.244 376 H CB -0.768 28.865 29.762 -0.214 0.000 1.355 376 H HN 0.602 nan 8.280 nan 0.000 0.485 377 F N -1.578 118.097 119.950 -0.458 0.000 2.661 377 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 377 F C 1.679 177.120 175.800 -0.598 0.000 1.137 377 F CA 0.741 58.380 58.000 -0.602 0.000 1.454 377 F CB -0.758 38.004 39.000 -0.397 0.000 1.103 377 F HN 0.176 nan 8.300 nan 0.000 0.577 378 H N -1.776 116.917 119.070 -0.628 0.000 2.497 378 H HA 0.060 4.616 4.556 -0.000 0.000 0.282 378 H C 1.412 176.348 175.328 -0.653 0.000 1.003 378 H CA 1.441 57.002 56.048 -0.812 0.000 1.307 378 H CB -0.323 28.392 29.762 -1.744 0.000 1.437 378 H HN 0.222 nan 8.280 nan 0.000 0.544 379 Y N 0.240 120.227 120.300 -0.521 0.000 2.163 379 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 379 Y C 2.502 178.186 175.900 -0.361 0.000 1.136 379 Y CA 1.487 59.356 58.100 -0.385 0.000 1.147 379 Y CB -0.409 37.860 38.460 -0.319 0.000 0.987 379 Y HN 0.136 nan 8.280 nan 0.000 0.509 380 V N -2.549 117.227 119.914 -0.230 0.000 2.970 380 V HA -0.113 4.007 4.120 -0.000 0.000 0.260 380 V C 1.611 177.628 176.094 -0.128 0.000 1.100 380 V CA 1.334 63.533 62.300 -0.168 0.000 1.122 380 V CB -0.722 30.965 31.823 -0.225 0.000 0.721 380 V HN 0.342 nan 8.190 nan 0.000 0.483 381 L N -0.488 120.601 121.223 -0.223 0.000 2.347 381 L HA 0.170 4.510 4.340 -0.000 0.000 0.196 381 L C 2.675 179.452 176.870 -0.155 0.000 1.072 381 L CA 1.052 55.772 54.840 -0.199 0.000 0.817 381 L CB -0.430 41.455 42.059 -0.290 0.000 1.029 381 L HN 0.135 nan 8.230 nan 0.000 0.478 382 S N 0.373 115.939 115.700 -0.223 0.000 2.406 382 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 382 S C 1.416 175.953 174.600 -0.104 0.000 1.020 382 S CA 1.112 59.267 58.200 -0.074 0.000 0.965 382 S CB 0.057 63.261 63.200 0.008 0.000 0.798 382 S HN 0.361 nan 8.310 nan 0.000 0.488 383 M N -0.730 118.644 119.600 -0.376 0.000 2.596 383 M HA 0.450 4.929 4.480 -0.000 0.000 0.364 383 M C 0.828 176.801 176.300 -0.546 0.000 1.158 383 M CA -0.137 54.620 55.300 -0.905 0.000 0.940 383 M CB 0.493 32.442 32.600 -1.085 0.000 1.388 383 M HN 0.157 nan 8.290 nan 0.000 0.522 384 G N 0.849 109.561 108.800 -0.147 0.000 2.474 384 G HA2 0.452 4.412 3.960 -0.000 0.000 0.182 384 G HA3 0.452 4.412 3.960 -0.000 0.000 0.182 384 G C 1.075 176.192 174.900 0.362 0.000 1.702 384 G CA 0.506 45.620 45.100 0.023 0.000 0.708 384 G HN 0.278 nan 8.290 nan 0.000 0.753 385 A N 0.173 123.113 122.820 0.201 0.000 1.884 385 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 385 A C 2.542 180.234 177.584 0.182 0.000 1.197 385 A CA 2.691 54.823 52.037 0.158 0.000 0.637 385 A CB -1.032 17.981 19.000 0.022 0.000 0.827 385 A HN 0.555 nan 8.150 nan 0.000 0.450 386 V N -1.359 118.661 119.914 0.177 0.000 2.407 386 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 386 V C 2.329 178.609 176.094 0.309 0.000 1.055 386 V CA 1.929 64.354 62.300 0.208 0.000 1.049 386 V CB -0.931 31.022 31.823 0.218 0.000 0.662 386 V HN 0.528 nan 8.190 nan 0.000 0.455 387 F N 0.863 120.931 119.950 0.196 0.000 2.171 387 F HA -0.087 4.440 4.527 -0.000 0.000 0.300 387 F C 2.407 178.285 175.800 0.129 0.000 1.090 387 F CA 0.896 59.073 58.000 0.294 0.000 1.293 387 F CB -1.257 38.106 39.000 0.606 0.000 1.013 387 F HN 0.118 nan 8.300 nan 0.000 0.486 388 A N 0.219 123.227 122.820 0.314 0.000 1.902 388 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 388 A C 2.362 179.915 177.584 -0.051 0.000 1.181 388 A CA 1.516 53.559 52.037 0.010 0.000 0.623 388 A CB -1.055 17.888 19.000 -0.095 0.000 0.818 388 A HN 0.346 nan 8.150 nan 0.000 0.443 389 I N -0.623 119.954 120.570 0.013 0.000 2.208 389 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 389 I C 2.596 178.725 176.117 0.020 0.000 1.097 389 I CA 1.283 62.616 61.300 0.056 0.000 1.363 389 I CB -0.289 37.779 38.000 0.113 0.000 1.051 389 I HN 0.308 nan 8.210 nan 0.000 0.413 390 M N 0.033 119.494 119.600 -0.231 0.000 2.132 390 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 390 M C 2.430 178.459 176.300 -0.452 0.000 1.065 390 M CA 1.738 56.718 55.300 -0.534 0.000 1.122 390 M CB -1.779 29.896 32.600 -1.541 0.000 1.365 390 M HN 0.285 nan 8.290 nan 0.000 0.411 391 G N -0.028 108.549 108.800 -0.372 0.000 2.421 391 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 391 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 391 G C 1.584 176.441 174.900 -0.071 0.000 1.171 391 G CA 1.033 46.063 45.100 -0.117 0.000 0.775 391 G HN 0.540 nan 8.290 nan 0.000 0.543 392 G N 0.267 109.026 108.800 -0.068 0.000 2.402 392 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 392 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 392 G C 1.612 176.733 174.900 0.367 0.000 1.162 392 G CA 0.892 46.010 45.100 0.029 0.000 0.777 392 G HN 0.341 nan 8.290 nan 0.000 0.539 393 F N 2.040 122.170 119.950 0.300 0.000 2.075 393 F HA -0.157 4.370 4.527 -0.000 0.000 0.297 393 F C 2.778 178.725 175.800 0.245 0.000 1.113 393 F CA 2.046 60.313 58.000 0.444 0.000 1.218 393 F CB -0.474 38.704 39.000 0.296 0.000 0.984 393 F HN 0.071 nan 8.300 nan 0.000 0.472 394 V N -1.521 118.449 119.914 0.092 0.000 2.626 394 V HA -0.224 3.896 4.120 -0.000 0.000 0.252 394 V C 2.340 178.420 176.094 -0.023 0.000 1.067 394 V CA 2.333 64.617 62.300 -0.027 0.000 1.081 394 V CB -1.495 30.395 31.823 0.111 0.000 0.686 394 V HN 0.556 nan 8.190 nan 0.000 0.468 395 H N -1.021 117.964 119.070 -0.142 0.000 2.363 395 H HA -0.038 4.518 4.556 -0.000 0.000 0.301 395 H C 1.800 176.946 175.328 -0.304 0.000 1.074 395 H CA 2.172 58.055 56.048 -0.276 0.000 1.354 395 H CB -0.084 29.331 29.762 -0.579 0.000 1.397 395 H HN 0.533 nan 8.280 nan 0.000 0.516 396 W N -0.545 120.587 121.300 -0.281 0.000 3.211 396 W HA 0.052 4.712 4.660 -0.000 0.000 0.292 396 W C 1.373 177.305 176.519 -0.979 0.000 1.268 396 W CA -0.327 56.561 57.345 -0.762 0.000 1.702 396 W CB -0.669 28.200 29.460 -0.984 0.000 1.092 396 W HN 0.204 nan 8.180 nan 0.000 0.643 397 F N 2.811 122.409 119.950 -0.586 0.000 2.085 397 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 397 F C -0.786 174.764 175.800 -0.415 0.000 1.096 397 F CA 1.984 59.629 58.000 -0.592 0.000 1.227 397 F CB -1.684 36.911 39.000 -0.674 0.000 0.983 397 F HN -0.239 nan 8.300 nan 0.000 0.482 398 P HA -0.192 nan 4.420 nan 0.000 0.216 398 P C 1.925 179.054 177.300 -0.285 0.000 1.150 398 P CA 1.510 64.450 63.100 -0.268 0.000 0.837 398 P CB -0.146 31.548 31.700 -0.010 0.000 0.786 399 L N -1.702 119.292 121.223 -0.381 0.000 2.056 399 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 399 L C 1.970 178.553 176.870 -0.478 0.000 1.078 399 L CA 2.019 56.564 54.840 -0.492 0.000 0.749 399 L CB -1.305 40.169 42.059 -0.975 0.000 0.901 399 L HN -0.154 nan 8.230 nan 0.000 0.433 400 F N -0.369 119.151 119.950 -0.717 0.000 2.163 400 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 400 F C 2.816 178.334 175.800 -0.469 0.000 1.094 400 F CA 1.077 58.511 58.000 -0.943 0.000 1.290 400 F CB -1.593 36.814 39.000 -0.989 0.000 1.017 400 F HN 0.379 nan 8.300 nan 0.000 0.483 401 S N -1.570 113.874 115.700 -0.426 0.000 2.475 401 S HA 0.423 4.893 4.470 -0.000 0.000 0.224 401 S C 1.935 176.262 174.600 -0.456 0.000 1.042 401 S CA 0.615 58.574 58.200 -0.403 0.000 0.935 401 S CB 0.336 63.040 63.200 -0.826 0.000 0.801 401 S HN 0.524 nan 8.310 nan 0.000 0.509 402 G N -0.087 108.442 108.800 -0.453 0.000 2.234 402 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.235 402 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.235 402 G C -0.149 174.492 174.900 -0.431 0.000 0.997 402 G CA 0.254 45.107 45.100 -0.410 0.000 0.623 402 G HN 0.510 nan 8.290 nan 0.000 0.514 403 Y N 1.585 121.751 120.300 -0.222 0.000 2.488 403 Y HA 0.677 5.227 4.550 -0.000 0.000 0.325 403 Y C 1.080 176.900 175.900 -0.133 0.000 1.204 403 Y CA -0.477 57.523 58.100 -0.167 0.000 1.229 403 Y CB 1.371 39.712 38.460 -0.199 0.000 1.274 403 Y HN 0.304 nan 8.280 nan 0.000 0.493 404 T N -0.551 114.094 114.554 0.152 0.000 2.945 404 T HA 0.778 5.128 4.350 -0.000 0.000 0.286 404 T C -0.568 174.210 174.700 0.130 0.000 1.025 404 T CA -0.931 61.244 62.100 0.126 0.000 1.039 404 T CB 0.958 69.867 68.868 0.068 0.000 1.068 404 T HN 0.450 nan 8.240 nan 0.000 0.497 405 L N 1.806 123.090 121.223 0.102 0.000 2.375 405 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 405 L C 0.850 177.746 176.870 0.044 0.000 1.058 405 L CA -1.183 53.660 54.840 0.004 0.000 0.803 405 L CB 0.788 42.810 42.059 -0.062 0.000 1.212 405 L HN 0.703 nan 8.230 nan 0.000 0.451 406 N N 1.179 119.922 118.700 0.071 0.000 2.402 406 N HA -0.036 4.704 4.740 -0.000 0.000 0.259 406 N C 0.246 175.860 175.510 0.174 0.000 1.167 406 N CA 0.030 53.173 53.050 0.155 0.000 0.949 406 N CB 0.868 39.546 38.487 0.317 0.000 1.212 406 N HN 0.546 nan 8.380 nan 0.000 0.493 407 D N 2.105 122.573 120.400 0.113 0.000 2.149 407 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 407 D C 1.242 177.612 176.300 0.117 0.000 1.001 407 D CA 1.711 55.772 54.000 0.102 0.000 0.849 407 D CB 0.076 40.914 40.800 0.063 0.000 0.939 407 D HN 0.545 nan 8.370 nan 0.000 0.449 408 T N -0.808 113.795 114.554 0.081 0.000 2.708 408 T HA -0.182 4.168 4.350 -0.000 0.000 0.266 408 T C 1.753 176.521 174.700 0.114 0.000 1.037 408 T CA 1.179 63.293 62.100 0.024 0.000 1.146 408 T CB -0.587 68.219 68.868 -0.104 0.000 0.865 408 T HN 0.355 nan 8.240 nan 0.000 0.435 409 W N 1.262 122.627 121.300 0.109 0.000 2.335 409 W HA -0.073 4.587 4.660 -0.000 0.000 0.311 409 W C 2.892 179.522 176.519 0.186 0.000 1.213 409 W CA 0.552 57.993 57.345 0.159 0.000 1.274 409 W CB -0.372 29.191 29.460 0.171 0.000 1.148 409 W HN 0.213 nan 8.180 nan 0.000 0.498 410 A N 0.353 123.417 122.820 0.408 0.000 1.978 410 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 410 A C 1.852 179.652 177.584 0.358 0.000 1.170 410 A CA 1.894 54.141 52.037 0.351 0.000 0.636 410 A CB -0.559 18.587 19.000 0.243 0.000 0.810 410 A HN 0.319 nan 8.150 nan 0.000 0.448 411 K N -0.789 119.757 120.400 0.244 0.000 2.116 411 K HA 0.107 4.427 4.320 -0.000 0.000 0.203 411 K C 1.789 178.513 176.600 0.206 0.000 1.052 411 K CA 1.026 57.409 56.287 0.160 0.000 0.952 411 K CB -0.252 32.292 32.500 0.073 0.000 0.729 411 K HN 0.500 nan 8.250 nan 0.000 0.446 412 I N 0.806 121.521 120.570 0.242 0.000 2.226 412 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 412 I C 2.563 178.847 176.117 0.279 0.000 1.100 412 I CA 1.442 62.885 61.300 0.238 0.000 1.374 412 I CB -0.306 37.883 38.000 0.314 0.000 1.057 412 I HN 0.230 nan 8.210 nan 0.000 0.413 413 H N 0.449 119.692 119.070 0.287 0.000 2.422 413 H HA -0.279 4.277 4.556 -0.000 0.000 0.298 413 H C 1.899 177.376 175.328 0.249 0.000 1.098 413 H CA 1.902 58.127 56.048 0.296 0.000 1.315 413 H CB -0.216 29.767 29.762 0.369 0.000 1.382 413 H HN 0.371 nan 8.280 nan 0.000 0.523 414 F N 0.643 120.520 119.950 -0.122 0.000 2.128 414 F HA 0.021 4.548 4.527 -0.000 0.000 0.295 414 F C 2.485 178.074 175.800 -0.352 0.000 1.100 414 F CA 1.414 59.046 58.000 -0.613 0.000 1.260 414 F CB -1.034 37.440 39.000 -0.876 0.000 1.009 414 F HN 0.240 nan 8.300 nan 0.000 0.476 415 A N 1.365 124.037 122.820 -0.246 0.000 1.873 415 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 415 A C 2.324 179.805 177.584 -0.170 0.000 1.193 415 A CA 2.404 54.296 52.037 -0.241 0.000 0.629 415 A CB -1.400 17.575 19.000 -0.040 0.000 0.826 415 A HN 0.535 nan 8.150 nan 0.000 0.447 416 I N -1.547 118.976 120.570 -0.079 0.000 2.142 416 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 416 I C 2.709 178.793 176.117 -0.055 0.000 1.078 416 I CA 2.143 63.429 61.300 -0.024 0.000 1.343 416 I CB -0.330 37.700 38.000 0.049 0.000 1.046 416 I HN 0.447 nan 8.210 nan 0.000 0.405 417 M N 0.232 119.765 119.600 -0.112 0.000 2.213 417 M HA -0.236 4.244 4.480 -0.000 0.000 0.263 417 M C 2.066 178.365 176.300 -0.001 0.000 1.062 417 M CA 1.798 57.080 55.300 -0.030 0.000 1.105 417 M CB -0.320 32.295 32.600 0.025 0.000 1.385 417 M HN 0.180 nan 8.290 nan 0.000 0.417 418 F N -0.509 119.221 119.950 -0.367 0.000 2.146 418 F HA -0.148 4.379 4.527 -0.000 0.000 0.298 418 F C 1.765 177.484 175.800 -0.134 0.000 1.096 418 F CA 1.624 59.442 58.000 -0.303 0.000 1.275 418 F CB -0.388 38.149 39.000 -0.773 0.000 1.008 418 F HN -0.055 nan 8.300 nan 0.000 0.480 419 V N 0.184 120.076 119.914 -0.037 0.000 2.270 419 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 419 V C 2.788 178.827 176.094 -0.092 0.000 1.043 419 V CA 1.887 64.153 62.300 -0.057 0.000 1.014 419 V CB -1.691 30.133 31.823 0.001 0.000 0.645 419 V HN 0.498 nan 8.190 nan 0.000 0.447 420 G N 0.906 109.674 108.800 -0.053 0.000 2.553 420 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 420 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 420 G C 1.782 176.616 174.900 -0.110 0.000 1.195 420 G CA 2.089 47.158 45.100 -0.051 0.000 0.779 420 G HN 0.621 nan 8.290 nan 0.000 0.577 421 V N -0.365 119.501 119.914 -0.079 0.000 2.490 421 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 421 V C 2.181 178.179 176.094 -0.160 0.000 1.061 421 V CA 2.468 64.722 62.300 -0.076 0.000 1.064 421 V CB -0.910 30.970 31.823 0.095 0.000 0.670 421 V HN 0.334 nan 8.190 nan 0.000 0.461 422 N N 0.192 118.748 118.700 -0.239 0.000 2.171 422 N HA -0.045 4.695 4.740 -0.000 0.000 0.184 422 N C 1.857 177.327 175.510 -0.066 0.000 1.021 422 N CA 1.875 54.798 53.050 -0.211 0.000 0.854 422 N CB -0.359 37.918 38.487 -0.350 0.000 0.994 422 N HN 0.558 nan 8.380 nan 0.000 0.426 423 M N 0.276 119.821 119.600 -0.092 0.000 2.159 423 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 423 M C 1.316 177.566 176.300 -0.085 0.000 1.063 423 M CA 1.298 56.581 55.300 -0.028 0.000 1.110 423 M CB -0.076 32.510 32.600 -0.023 0.000 1.374 423 M HN 0.103 nan 8.290 nan 0.000 0.411 424 T N 0.353 114.747 114.554 -0.266 0.000 2.701 424 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 424 T C 1.082 175.457 174.700 -0.542 0.000 1.040 424 T CA 1.550 63.334 62.100 -0.527 0.000 1.147 424 T CB -0.301 67.945 68.868 -1.037 0.000 0.865 424 T HN 0.392 nan 8.240 nan 0.000 0.426 425 F N -0.369 119.566 119.950 -0.025 0.000 2.714 425 F HA 0.373 4.900 4.527 -0.000 0.000 0.294 425 F C 1.648 177.535 175.800 0.146 0.000 1.120 425 F CA -1.198 56.806 58.000 0.007 0.000 1.398 425 F CB -0.624 38.371 39.000 -0.008 0.000 1.120 425 F HN 0.037 nan 8.300 nan 0.000 0.589 426 F N 2.617 122.653 119.950 0.143 0.000 2.075 426 F HA -0.026 4.501 4.527 -0.000 0.000 0.297 426 F C -0.676 174.999 175.800 -0.208 0.000 1.113 426 F CA 0.918 58.964 58.000 0.077 0.000 1.218 426 F CB -1.747 37.245 39.000 -0.013 0.000 0.984 426 F HN -0.130 nan 8.300 nan 0.000 0.472 427 P HA -0.228 nan 4.420 nan 0.000 0.216 427 P C 1.296 178.296 177.300 -0.500 0.000 1.153 427 P CA 2.143 64.949 63.100 -0.491 0.000 0.858 427 P CB -0.264 31.401 31.700 -0.058 0.000 0.789 428 Q N -1.827 117.809 119.800 -0.273 0.000 2.376 428 Q HA -0.242 4.098 4.340 -0.000 0.000 0.211 428 Q C 1.740 177.540 176.000 -0.333 0.000 0.986 428 Q CA 1.273 56.954 55.803 -0.203 0.000 0.886 428 Q CB -0.738 27.982 28.738 -0.031 0.000 0.927 428 Q HN 0.552 nan 8.270 nan 0.000 0.457 429 H N -1.039 117.656 119.070 -0.625 0.000 2.395 429 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 429 H C 1.376 176.529 175.328 -0.292 0.000 1.070 429 H CA 1.436 57.128 56.048 -0.593 0.000 1.356 429 H CB 0.071 29.264 29.762 -0.949 0.000 1.401 429 H HN 0.194 nan 8.280 nan 0.000 0.524 430 F N 0.325 120.145 119.950 -0.216 0.000 2.060 430 F HA -0.100 4.427 4.527 -0.000 0.000 0.295 430 F C 2.253 178.028 175.800 -0.041 0.000 1.120 430 F CA 0.754 58.638 58.000 -0.193 0.000 1.205 430 F CB -1.163 37.511 39.000 -0.543 0.000 0.986 430 F HN 0.042 nan 8.300 nan 0.000 0.470 431 L N -0.074 121.220 121.223 0.118 0.000 2.137 431 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 431 L C 2.593 179.428 176.870 -0.059 0.000 1.085 431 L CA 1.549 56.386 54.840 -0.006 0.000 0.760 431 L CB -1.364 40.564 42.059 -0.217 0.000 0.893 431 L HN 0.346 nan 8.230 nan 0.000 0.434 432 G N -0.711 108.115 108.800 0.043 0.000 2.426 432 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 432 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 432 G C 1.611 176.562 174.900 0.085 0.000 1.156 432 G CA 0.038 45.190 45.100 0.087 0.000 0.802 432 G HN 0.192 nan 8.290 nan 0.000 0.534 433 L N 1.679 122.981 121.223 0.131 0.000 2.093 433 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 433 L C 2.972 179.894 176.870 0.086 0.000 1.085 433 L CA 1.453 56.334 54.840 0.069 0.000 0.755 433 L CB -0.256 41.872 42.059 0.116 0.000 0.904 433 L HN 0.399 nan 8.230 nan 0.000 0.435 434 S N -0.865 114.923 115.700 0.147 0.000 2.607 434 S HA 0.133 4.603 4.470 -0.000 0.000 0.224 434 S C 1.430 176.166 174.600 0.225 0.000 0.969 434 S CA 0.395 58.721 58.200 0.211 0.000 0.927 434 S CB 0.271 63.674 63.200 0.339 0.000 0.772 434 S HN 0.571 nan 8.310 nan 0.000 0.533 435 G N 1.020 109.873 108.800 0.088 0.000 2.176 435 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.232 435 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.232 435 G C -0.040 174.787 174.900 -0.121 0.000 0.986 435 G CA 0.051 45.180 45.100 0.048 0.000 0.643 435 G HN 0.621 nan 8.290 nan 0.000 0.522 436 M N 2.088 121.412 119.600 -0.460 0.000 2.307 436 M HA 0.377 4.857 4.480 -0.000 0.000 0.346 436 M C -2.021 174.112 176.300 -0.278 0.000 1.552 436 M CA -1.230 53.678 55.300 -0.653 0.000 1.116 436 M CB 0.565 32.546 32.600 -1.032 0.000 1.889 436 M HN -0.006 nan 8.290 nan 0.000 0.460 437 P HA 0.153 nan 4.420 nan 0.000 0.273 437 P C -1.118 176.061 177.300 -0.202 0.000 1.250 437 P CA -0.059 62.803 63.100 -0.396 0.000 0.793 437 P CB 0.554 31.733 31.700 -0.869 0.000 1.011 438 R N 0.891 121.309 120.500 -0.137 0.000 2.532 438 R HA 0.443 4.783 4.340 -0.000 0.000 0.272 438 R C 0.301 176.667 176.300 0.110 0.000 1.032 438 R CA -0.584 55.495 56.100 -0.036 0.000 1.089 438 R CB 0.367 30.601 30.300 -0.110 0.000 1.098 438 R HN 0.384 nan 8.270 nan 0.000 0.526 439 R N -0.284 120.373 120.500 0.261 0.000 3.656 439 R HA -0.187 4.153 4.340 -0.000 0.000 0.297 439 R C -1.176 175.474 176.300 0.583 0.000 1.166 439 R CA 0.668 57.009 56.100 0.401 0.000 0.799 439 R CB -1.660 28.796 30.300 0.259 0.000 1.285 439 R HN 0.402 nan 8.270 nan 0.000 0.477 440 Y N -0.258 120.204 120.300 0.270 0.000 2.360 440 Y HA 0.251 4.801 4.550 -0.000 0.000 0.337 440 Y C 1.584 177.367 175.900 -0.195 0.000 1.039 440 Y CA -1.374 56.785 58.100 0.098 0.000 1.109 440 Y CB 1.839 40.369 38.460 0.117 0.000 1.201 440 Y HN 0.106 nan 8.280 nan 0.000 0.458 441 S N -0.350 115.162 115.700 -0.312 0.000 2.528 441 S HA 0.113 4.583 4.470 -0.000 0.000 0.219 441 S C 0.011 174.414 174.600 -0.330 0.000 0.985 441 S CA 0.277 58.027 58.200 -0.750 0.000 0.914 441 S CB 0.250 63.136 63.200 -0.524 0.000 0.776 441 S HN 0.650 nan 8.310 nan 0.000 0.526 442 D N -0.385 119.931 120.400 -0.140 0.000 2.609 442 D HA 0.483 5.123 4.640 -0.000 0.000 0.239 442 D C -1.669 174.655 176.300 0.041 0.000 1.229 442 D CA -0.690 53.202 54.000 -0.179 0.000 0.808 442 D CB 1.832 42.488 40.800 -0.240 0.000 1.448 442 D HN 0.248 nan 8.370 nan 0.000 0.433 443 Y N -1.713 118.649 120.300 0.103 0.000 2.588 443 Y HA 0.750 5.300 4.550 -0.000 0.000 0.343 443 Y C -2.651 173.359 175.900 0.183 0.000 1.065 443 Y CA -2.390 55.849 58.100 0.231 0.000 1.038 443 Y CB -0.114 38.502 38.460 0.261 0.000 1.297 443 Y HN 0.044 nan 8.280 nan 0.000 0.467 444 P HA 0.020 nan 4.420 nan 0.000 0.267 444 P C 0.126 177.496 177.300 0.116 0.000 1.201 444 P CA 0.290 63.479 63.100 0.149 0.000 0.775 444 P CB 0.807 32.555 31.700 0.080 0.000 0.854 445 D N 1.349 121.748 120.400 -0.003 0.000 2.190 445 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 445 D C 1.850 178.126 176.300 -0.038 0.000 0.992 445 D CA 1.802 55.800 54.000 -0.003 0.000 0.854 445 D CB -0.579 40.194 40.800 -0.046 0.000 0.936 445 D HN 0.371 nan 8.370 nan 0.000 0.462 446 A N 0.282 122.978 122.820 -0.206 0.000 1.978 446 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 446 A C 1.452 178.883 177.584 -0.255 0.000 1.170 446 A CA 1.035 52.886 52.037 -0.309 0.000 0.636 446 A CB -0.938 17.779 19.000 -0.473 0.000 0.810 446 A HN 0.261 nan 8.150 nan 0.000 0.448 447 Y N 0.734 121.049 120.300 0.026 0.000 2.553 447 Y HA 0.040 4.590 4.550 -0.000 0.000 0.303 447 Y C 2.361 178.121 175.900 -0.235 0.000 1.194 447 Y CA 0.502 58.532 58.100 -0.118 0.000 1.305 447 Y CB -1.372 36.964 38.460 -0.208 0.000 1.045 447 Y HN 0.230 nan 8.280 nan 0.000 0.514 448 T N -0.140 114.464 114.554 0.083 0.000 2.746 448 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 448 T C 2.083 176.749 174.700 -0.056 0.000 1.039 448 T CA 1.551 63.722 62.100 0.119 0.000 1.142 448 T CB -0.197 68.754 68.868 0.138 0.000 0.866 448 T HN 0.436 nan 8.240 nan 0.000 0.444 449 M N -0.295 119.175 119.600 -0.216 0.000 2.065 449 M HA -0.113 4.367 4.480 -0.000 0.000 0.259 449 M C 1.970 178.178 176.300 -0.152 0.000 1.071 449 M CA 1.933 57.041 55.300 -0.321 0.000 1.109 449 M CB -0.281 31.915 32.600 -0.675 0.000 1.313 449 M HN 0.397 nan 8.290 nan 0.000 0.408 450 W N 0.465 121.761 121.300 -0.007 0.000 2.342 450 W HA -0.183 4.477 4.660 -0.000 0.000 0.297 450 W C 2.213 178.681 176.519 -0.085 0.000 1.213 450 W CA 0.257 57.598 57.345 -0.007 0.000 1.251 450 W CB -0.704 28.775 29.460 0.032 0.000 1.136 450 W HN 0.355 nan 8.180 nan 0.000 0.526 451 N N -0.132 118.579 118.700 0.018 0.000 2.244 451 N HA -0.112 4.628 4.740 -0.000 0.000 0.183 451 N C 1.484 176.995 175.510 0.003 0.000 1.016 451 N CA 1.872 54.852 53.050 -0.117 0.000 0.866 451 N CB -0.376 37.857 38.487 -0.424 0.000 0.980 451 N HN 0.133 nan 8.380 nan 0.000 0.430 452 T N 1.770 116.346 114.554 0.036 0.000 2.732 452 T HA 0.041 4.391 4.350 -0.000 0.000 0.261 452 T C 2.157 176.895 174.700 0.063 0.000 1.040 452 T CA 0.531 62.661 62.100 0.050 0.000 1.145 452 T CB -0.078 68.807 68.868 0.028 0.000 0.866 452 T HN 0.141 nan 8.240 nan 0.000 0.427 453 I N 1.082 121.714 120.570 0.104 0.000 2.163 453 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 453 I C 2.827 178.995 176.117 0.085 0.000 1.085 453 I CA 1.084 62.461 61.300 0.127 0.000 1.347 453 I CB -0.477 37.672 38.000 0.247 0.000 1.044 453 I HN 0.246 nan 8.210 nan 0.000 0.408 454 S N 0.292 116.036 115.700 0.074 0.000 2.359 454 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 454 S C 2.225 176.809 174.600 -0.027 0.000 1.039 454 S CA 2.286 60.477 58.200 -0.015 0.000 1.042 454 S CB -0.242 62.934 63.200 -0.040 0.000 0.915 454 S HN 0.421 nan 8.310 nan 0.000 0.439 455 S N 1.054 116.772 115.700 0.029 0.000 2.419 455 S HA -0.018 4.452 4.470 -0.000 0.000 0.233 455 S C 1.835 176.543 174.600 0.179 0.000 1.016 455 S CA 1.458 59.716 58.200 0.097 0.000 0.974 455 S CB -0.362 62.917 63.200 0.132 0.000 0.786 455 S HN 0.531 nan 8.310 nan 0.000 0.492 456 M N 0.694 120.358 119.600 0.105 0.000 2.175 456 M HA -0.021 4.459 4.480 -0.000 0.000 0.264 456 M C 2.544 178.919 176.300 0.125 0.000 1.063 456 M CA 1.397 56.760 55.300 0.104 0.000 1.119 456 M CB -0.891 31.731 32.600 0.037 0.000 1.377 456 M HN 0.441 nan 8.290 nan 0.000 0.415 457 G N 0.410 109.237 108.800 0.044 0.000 2.442 457 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 457 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 457 G C 1.638 176.524 174.900 -0.024 0.000 1.141 457 G CA 1.313 46.404 45.100 -0.015 0.000 0.763 457 G HN 0.564 nan 8.290 nan 0.000 0.554 458 S N -0.044 115.635 115.700 -0.035 0.000 2.419 458 S HA -0.020 4.450 4.470 -0.000 0.000 0.233 458 S C 2.039 176.592 174.600 -0.077 0.000 1.016 458 S CA 0.966 59.114 58.200 -0.087 0.000 0.974 458 S CB -0.483 62.644 63.200 -0.122 0.000 0.786 458 S HN 0.210 nan 8.310 nan 0.000 0.492 459 F N 1.460 121.392 119.950 -0.030 0.000 2.293 459 F HA 0.303 4.830 4.527 -0.000 0.000 0.297 459 F C 2.109 177.910 175.800 0.002 0.000 1.089 459 F CA 0.456 58.452 58.000 -0.007 0.000 1.377 459 F CB -0.308 38.690 39.000 -0.004 0.000 1.051 459 F HN 0.189 nan 8.300 nan 0.000 0.511 460 I N -1.140 119.519 120.570 0.148 0.000 2.252 460 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 460 I C 2.370 178.523 176.117 0.060 0.000 1.102 460 I CA 1.168 62.522 61.300 0.090 0.000 1.385 460 I CB -0.598 37.436 38.000 0.057 0.000 1.064 460 I HN -0.024 nan 8.210 nan 0.000 0.414 461 S N 0.905 116.624 115.700 0.031 0.000 2.383 461 S HA -0.186 4.284 4.470 -0.000 0.000 0.229 461 S C 1.922 176.547 174.600 0.040 0.000 1.030 461 S CA 1.281 59.505 58.200 0.040 0.000 1.002 461 S CB -0.428 62.788 63.200 0.026 0.000 0.829 461 S HN 0.318 nan 8.310 nan 0.000 0.467 462 L N 1.973 123.188 121.223 -0.015 0.000 2.012 462 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 462 L C 2.220 179.108 176.870 0.030 0.000 1.073 462 L CA 1.996 56.813 54.840 -0.037 0.000 0.748 462 L CB -1.501 40.468 42.059 -0.149 0.000 0.891 462 L HN 0.205 nan 8.230 nan 0.000 0.431 463 T N 0.018 114.607 114.554 0.059 0.000 2.720 463 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 463 T C 1.895 176.664 174.700 0.115 0.000 1.037 463 T CA 1.486 63.635 62.100 0.081 0.000 1.144 463 T CB -0.614 68.309 68.868 0.091 0.000 0.864 463 T HN 0.559 nan 8.240 nan 0.000 0.444 464 A N 1.185 124.087 122.820 0.137 0.000 1.930 464 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 464 A C 2.592 180.367 177.584 0.319 0.000 1.175 464 A CA 1.587 53.762 52.037 0.229 0.000 0.627 464 A CB -0.865 18.217 19.000 0.135 0.000 0.815 464 A HN 0.500 nan 8.150 nan 0.000 0.443 465 V N -2.296 117.743 119.914 0.207 0.000 3.217 465 V HA -0.079 4.041 4.120 -0.000 0.000 0.264 465 V C 1.926 178.083 176.094 0.107 0.000 1.135 465 V CA 1.838 64.245 62.300 0.177 0.000 1.142 465 V CB -0.603 31.288 31.823 0.113 0.000 0.754 465 V HN 0.511 nan 8.190 nan 0.000 0.484 466 M N -0.577 119.078 119.600 0.092 0.000 2.216 466 M HA 0.065 4.545 4.480 -0.000 0.000 0.264 466 M C 2.233 178.574 176.300 0.068 0.000 1.080 466 M CA 1.691 57.022 55.300 0.052 0.000 1.153 466 M CB -0.342 32.272 32.600 0.025 0.000 1.356 466 M HN 0.326 nan 8.290 nan 0.000 0.432 467 L N 0.431 121.713 121.223 0.098 0.000 2.042 467 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 467 L C 2.696 179.639 176.870 0.122 0.000 1.076 467 L CA 1.408 56.312 54.840 0.107 0.000 0.749 467 L CB -0.346 41.825 42.059 0.186 0.000 0.893 467 L HN 0.423 nan 8.230 nan 0.000 0.432 468 M N -0.898 118.730 119.600 0.047 0.000 2.080 468 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 468 M C 2.136 178.418 176.300 -0.030 0.000 1.068 468 M CA 1.836 57.048 55.300 -0.146 0.000 1.109 468 M CB -0.083 32.364 32.600 -0.254 0.000 1.342 468 M HN 0.081 nan 8.290 nan 0.000 0.405 469 V N 0.803 120.739 119.914 0.037 0.000 2.324 469 V HA -0.313 3.807 4.120 -0.000 0.000 0.250 469 V C 2.202 178.382 176.094 0.144 0.000 1.060 469 V CA 2.394 64.741 62.300 0.077 0.000 1.042 469 V CB -1.130 30.737 31.823 0.072 0.000 0.650 469 V HN 0.645 nan 8.190 nan 0.000 0.450 470 F N 0.595 120.529 119.950 -0.027 0.000 2.102 470 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 470 F C 2.190 178.004 175.800 0.023 0.000 1.105 470 F CA 1.706 59.700 58.000 -0.010 0.000 1.239 470 F CB -0.375 38.535 39.000 -0.150 0.000 0.991 470 F HN 0.049 nan 8.300 nan 0.000 0.474 471 I N 0.417 120.869 120.570 -0.198 0.000 2.248 471 I HA -0.355 3.815 4.170 -0.000 0.000 0.248 471 I C 2.442 178.388 176.117 -0.285 0.000 1.107 471 I CA 1.744 62.828 61.300 -0.359 0.000 1.373 471 I CB -0.594 37.316 38.000 -0.150 0.000 1.055 471 I HN 0.267 nan 8.210 nan 0.000 0.418 472 I N -0.666 119.827 120.570 -0.129 0.000 2.233 472 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 472 I C 2.470 178.629 176.117 0.068 0.000 1.093 472 I CA 1.355 62.612 61.300 -0.072 0.000 1.380 472 I CB -0.400 37.661 38.000 0.102 0.000 1.067 472 I HN 0.377 nan 8.210 nan 0.000 0.413 473 W N 2.671 123.931 121.300 -0.067 0.000 2.315 473 W HA -0.342 4.318 4.660 -0.000 0.000 0.323 473 W C 2.573 179.019 176.519 -0.121 0.000 1.233 473 W CA 2.403 59.738 57.345 -0.016 0.000 1.267 473 W CB -0.376 29.055 29.460 -0.048 0.000 1.160 473 W HN 0.267 nan 8.180 nan 0.000 0.474 474 E N 1.003 120.947 120.200 -0.426 0.000 2.070 474 E HA -0.257 4.093 4.350 -0.000 0.000 0.197 474 E C 2.079 178.368 176.600 -0.518 0.000 1.004 474 E CA 2.700 58.665 56.400 -0.725 0.000 0.805 474 E CB -1.169 28.113 29.700 -0.697 0.000 0.744 474 E HN 0.230 nan 8.360 nan 0.000 0.451 475 A N -0.073 122.530 122.820 -0.361 0.000 1.892 475 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 475 A C 2.117 179.493 177.584 -0.347 0.000 1.188 475 A CA 1.751 53.623 52.037 -0.275 0.000 0.631 475 A CB -1.055 17.807 19.000 -0.229 0.000 0.822 475 A HN 0.412 nan 8.150 nan 0.000 0.447 476 F N -0.335 119.482 119.950 -0.223 0.000 2.407 476 F HA 0.101 4.628 4.527 -0.000 0.000 0.299 476 F C 2.625 178.128 175.800 -0.495 0.000 1.097 476 F CA 0.372 58.187 58.000 -0.308 0.000 1.422 476 F CB -0.423 38.522 39.000 -0.092 0.000 1.067 476 F HN 0.271 nan 8.300 nan 0.000 0.539 477 A N -1.152 121.364 122.820 -0.506 0.000 1.898 477 A HA -0.066 4.254 4.320 -0.000 0.000 0.214 477 A C 2.383 179.719 177.584 -0.412 0.000 1.183 477 A CA 1.657 53.329 52.037 -0.608 0.000 0.622 477 A CB -0.841 17.425 19.000 -1.224 0.000 0.824 477 A HN 0.243 nan 8.150 nan 0.000 0.444 478 S N -0.563 114.905 115.700 -0.387 0.000 2.357 478 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 478 S C 0.336 174.796 174.600 -0.234 0.000 1.031 478 S CA 0.933 58.984 58.200 -0.250 0.000 0.982 478 S CB -0.184 62.905 63.200 -0.185 0.000 0.853 478 S HN 0.572 nan 8.310 nan 0.000 0.458 479 K N 0.966 121.150 120.400 -0.359 0.000 3.335 479 K HA -0.133 4.187 4.320 -0.000 0.000 0.271 479 K C -1.147 175.423 176.600 -0.051 0.000 1.105 479 K CA 0.245 56.281 56.287 -0.419 0.000 0.799 479 K CB -1.353 30.940 32.500 -0.346 0.000 1.309 479 K HN 0.389 nan 8.250 nan 0.000 0.469 480 R N 1.891 122.403 120.500 0.021 0.000 2.205 480 R HA 0.148 4.488 4.340 -0.000 0.000 0.342 480 R C 0.097 176.504 176.300 0.178 0.000 1.058 480 R CA -0.402 55.746 56.100 0.079 0.000 0.904 480 R CB 0.639 30.965 30.300 0.044 0.000 1.089 480 R HN 0.232 nan 8.270 nan 0.000 0.471 481 E N 2.235 122.535 120.200 0.167 0.000 2.354 481 E HA 0.094 4.444 4.350 -0.000 0.000 0.269 481 E C -0.022 176.610 176.600 0.054 0.000 1.036 481 E CA -0.518 55.960 56.400 0.130 0.000 0.876 481 E CB 1.418 31.178 29.700 0.099 0.000 1.009 481 E HN 0.184 nan 8.360 nan 0.000 0.416 482 V N 4.145 124.066 119.914 0.013 0.000 2.655 482 V HA -0.062 4.058 4.120 -0.000 0.000 0.300 482 V C 1.168 177.265 176.094 0.005 0.000 1.044 482 V CA 0.624 62.926 62.300 0.003 0.000 1.095 482 V CB 0.463 32.282 31.823 -0.007 0.000 0.952 482 V HN 0.679 nan 8.190 nan 0.000 0.485 483 L N 2.556 123.779 121.223 0.000 0.000 2.670 483 L HA 0.256 4.596 4.340 -0.000 0.000 0.177 483 L C 0.780 177.646 176.870 -0.008 0.000 1.181 483 L CA 0.566 55.406 54.840 0.000 0.000 0.856 483 L CB 0.298 42.357 42.059 -0.000 0.000 1.205 483 L HN 0.604 nan 8.230 nan 0.000 0.506 484 T N 0.692 115.231 114.554 -0.026 0.000 2.856 484 T HA 0.591 4.941 4.350 -0.000 0.000 0.283 484 T C -0.704 173.940 174.700 -0.092 0.000 1.008 484 T CA -0.289 61.785 62.100 -0.044 0.000 0.997 484 T CB 2.703 71.547 68.868 -0.040 0.000 0.992 484 T HN -0.208 nan 8.240 nan 0.000 0.454 485 V N 2.767 122.610 119.914 -0.119 0.000 2.656 485 V HA 0.428 4.548 4.120 -0.000 0.000 0.307 485 V C -0.632 175.344 176.094 -0.196 0.000 1.051 485 V CA -1.088 61.067 62.300 -0.241 0.000 0.893 485 V CB 2.193 33.801 31.823 -0.358 0.000 0.999 485 V HN 0.823 nan 8.190 nan 0.000 0.426 486 D N 2.450 122.721 120.400 -0.215 0.000 2.354 486 D HA 0.585 5.225 4.640 -0.000 0.000 0.247 486 D C 0.798 176.970 176.300 -0.213 0.000 1.138 486 D CA -0.325 53.544 54.000 -0.218 0.000 0.958 486 D CB 0.647 41.259 40.800 -0.313 0.000 1.144 486 D HN 0.509 nan 8.370 nan 0.000 0.458 487 L N -0.185 120.919 121.223 -0.199 0.000 3.858 487 L HA -0.298 4.042 4.340 -0.000 0.000 0.425 487 L C 1.602 178.488 176.870 0.026 0.000 1.177 487 L CA 0.720 55.482 54.840 -0.130 0.000 0.943 487 L CB -2.294 39.589 42.059 -0.294 0.000 1.861 487 L HN 0.640 nan 8.230 nan 0.000 0.985 488 T N -5.492 109.085 114.554 0.040 0.000 2.962 488 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 488 T C 1.758 176.547 174.700 0.149 0.000 1.088 488 T CA 1.353 63.538 62.100 0.142 0.000 1.127 488 T CB -0.428 68.523 68.868 0.139 0.000 0.883 488 T HN 0.609 nan 8.240 nan 0.000 0.493 489 T N 1.265 115.873 114.554 0.090 0.000 2.759 489 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 489 T C 1.948 176.711 174.700 0.105 0.000 1.042 489 T CA 1.792 63.943 62.100 0.085 0.000 1.140 489 T CB -1.175 67.721 68.868 0.047 0.000 0.864 489 T HN 0.670 nan 8.240 nan 0.000 0.455 490 T N -1.684 112.938 114.554 0.113 0.000 3.092 490 T HA 0.348 4.698 4.350 -0.000 0.000 0.258 490 T C 0.175 174.999 174.700 0.207 0.000 1.031 490 T CA -0.671 61.505 62.100 0.127 0.000 0.925 490 T CB -0.259 68.658 68.868 0.081 0.000 1.036 490 T HN 0.304 nan 8.240 nan 0.000 0.544 491 N N 0.946 119.817 118.700 0.285 0.000 2.752 491 N HA 0.420 5.160 4.740 -0.000 0.000 0.260 491 N C 0.796 176.581 175.510 0.458 0.000 1.562 491 N CA -0.312 53.000 53.050 0.436 0.000 0.788 491 N CB 0.959 39.816 38.487 0.616 0.000 1.192 491 N HN 0.020 nan 8.380 nan 0.000 0.503 492 L N 0.984 122.408 121.223 0.336 0.000 2.103 492 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 492 L C 2.479 179.540 176.870 0.318 0.000 1.080 492 L CA 1.699 56.724 54.840 0.309 0.000 0.764 492 L CB -0.034 42.176 42.059 0.251 0.000 0.890 492 L HN 0.638 nan 8.230 nan 0.000 0.435 493 E N -0.462 119.890 120.200 0.253 0.000 2.187 493 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 493 E C 1.702 178.305 176.600 0.005 0.000 1.004 493 E CA 2.057 58.502 56.400 0.076 0.000 0.813 493 E CB -0.853 28.784 29.700 -0.105 0.000 0.736 493 E HN 0.671 nan 8.360 nan 0.000 0.468 494 W N 0.929 122.340 121.300 0.185 0.000 3.003 494 W HA 0.303 4.963 4.660 -0.000 0.000 0.257 494 W C 2.251 178.828 176.519 0.097 0.000 1.308 494 W CA -0.349 57.065 57.345 0.115 0.000 1.529 494 W CB -0.226 29.286 29.460 0.088 0.000 1.115 494 W HN -0.053 nan 8.180 nan 0.000 0.659 495 L N 1.095 122.512 121.223 0.323 0.000 2.349 495 L HA -0.190 4.150 4.340 -0.000 0.000 0.220 495 L C 1.227 178.175 176.870 0.131 0.000 1.130 495 L CA 1.074 56.044 54.840 0.216 0.000 0.791 495 L CB -0.382 41.806 42.059 0.216 0.000 0.918 495 L HN 0.152 nan 8.230 nan 0.000 0.444 496 N N -0.072 118.689 118.700 0.102 0.000 2.251 496 N HA 0.137 4.877 4.740 -0.000 0.000 0.217 496 N C 0.658 176.201 175.510 0.056 0.000 1.124 496 N CA 0.692 53.758 53.050 0.026 0.000 0.843 496 N CB 0.931 39.377 38.487 -0.069 0.000 1.024 496 N HN 0.324 nan 8.380 nan 0.000 0.501 497 G N 0.793 109.656 108.800 0.106 0.000 2.814 497 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.677 497 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.677 497 G C -0.568 174.387 174.900 0.092 0.000 1.429 497 G CA -0.797 44.362 45.100 0.099 0.000 0.868 497 G HN 0.307 nan 8.290 nan 0.000 0.553 498 C N 2.926 122.267 119.300 0.068 0.000 2.271 498 C HA 0.730 5.190 4.460 -0.000 0.000 0.323 498 C C -1.257 173.705 174.990 -0.045 0.000 1.245 498 C CA -0.956 58.072 59.018 0.015 0.000 1.548 498 C CB 0.934 28.686 27.740 0.021 0.000 2.214 498 C HN 0.808 nan 8.230 nan 0.000 0.477 499 P HA 0.410 nan 4.420 nan 0.000 0.287 499 P C -2.661 174.690 177.300 0.085 0.000 1.270 499 P CA -1.585 61.537 63.100 0.038 0.000 0.844 499 P CB 0.780 32.528 31.700 0.080 0.000 1.068 500 P HA 0.129 nan 4.420 nan 0.000 0.269 500 P C -2.236 175.102 177.300 0.063 0.000 1.209 500 P CA -1.062 62.094 63.100 0.093 0.000 0.776 500 P CB -0.877 30.904 31.700 0.135 0.000 0.876 501 P HA -0.063 nan 4.420 nan 0.000 0.270 501 P C 0.783 178.085 177.300 0.004 0.000 1.223 501 P CA -0.060 63.058 63.100 0.030 0.000 0.785 501 P CB 0.489 32.206 31.700 0.028 0.000 0.923 502 Y N 1.701 121.915 120.300 -0.143 0.000 2.062 502 Y HA -0.243 4.307 4.550 -0.000 0.000 0.276 502 Y C 0.989 176.675 175.900 -0.357 0.000 1.189 502 Y CA 1.915 59.835 58.100 -0.300 0.000 1.130 502 Y CB -0.687 37.574 38.460 -0.331 0.000 0.959 502 Y HN 0.439 nan 8.280 nan 0.000 0.499 503 H N -0.277 118.824 119.070 0.050 0.000 2.595 503 H HA 0.345 4.901 4.556 -0.000 0.000 0.313 503 H C -0.099 175.204 175.328 -0.043 0.000 1.023 503 H CA -0.240 55.800 56.048 -0.013 0.000 1.218 503 H CB 0.766 30.558 29.762 0.049 0.000 1.403 503 H HN 0.062 nan 8.280 nan 0.000 0.477 504 T N -0.355 114.234 114.554 0.059 0.000 2.952 504 T HA 0.269 4.619 4.350 -0.000 0.000 0.286 504 T C 0.074 174.739 174.700 -0.058 0.000 1.024 504 T CA -0.910 61.105 62.100 -0.142 0.000 1.029 504 T CB 0.788 69.519 68.868 -0.229 0.000 1.094 504 T HN 0.517 nan 8.240 nan 0.000 0.515 505 F N -1.024 118.965 119.950 0.067 0.000 3.048 505 F HA -0.198 4.329 4.527 -0.000 0.000 0.269 505 F C 1.369 177.184 175.800 0.025 0.000 0.960 505 F CA 0.641 58.665 58.000 0.041 0.000 0.909 505 F CB -2.404 36.611 39.000 0.024 0.000 0.837 505 F HN 0.865 nan 8.300 nan 0.000 0.768 506 E N 0.632 120.886 120.200 0.091 0.000 2.077 506 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 506 E C 1.144 177.775 176.600 0.052 0.000 0.989 506 E CA 1.435 57.859 56.400 0.040 0.000 0.800 506 E CB 0.144 29.844 29.700 0.001 0.000 0.746 506 E HN 0.632 nan 8.360 nan 0.000 0.452 507 E N 0.469 120.712 120.200 0.071 0.000 2.133 507 E HA 0.206 4.556 4.350 -0.000 0.000 0.274 507 E C -2.274 174.411 176.600 0.141 0.000 0.930 507 E CA -2.434 54.013 56.400 0.078 0.000 0.770 507 E CB 1.386 31.123 29.700 0.062 0.000 1.104 507 E HN -0.131 nan 8.360 nan 0.000 0.403 508 P HA -0.129 nan 4.420 nan 0.000 0.283 508 P C -0.584 176.837 177.300 0.201 0.000 1.388 508 P CA 0.260 63.447 63.100 0.144 0.000 0.977 508 P CB 0.264 32.007 31.700 0.072 0.000 1.287 509 T N -2.390 112.244 114.554 0.133 0.000 2.876 509 T HA 0.435 4.785 4.350 -0.000 0.000 0.289 509 T C -1.626 173.153 174.700 0.131 0.000 1.014 509 T CA -0.675 61.518 62.100 0.154 0.000 0.986 509 T CB 0.357 69.263 68.868 0.062 0.000 1.021 509 T HN 0.208 nan 8.240 nan 0.000 0.458 510 Y N 4.442 124.770 120.300 0.046 0.000 2.383 510 Y HA 0.611 5.161 4.550 -0.000 0.000 0.344 510 Y C -1.093 174.819 175.900 0.020 0.000 0.986 510 Y CA -0.395 57.721 58.100 0.028 0.000 1.175 510 Y CB 0.699 39.178 38.460 0.032 0.000 1.152 510 Y HN 0.560 nan 8.280 nan 0.000 0.511 511 V N 6.806 126.468 119.914 -0.420 0.000 2.482 511 V HA 0.228 4.348 4.120 -0.000 0.000 0.295 511 V C -0.467 175.371 176.094 -0.428 0.000 1.026 511 V CA -1.280 60.845 62.300 -0.292 0.000 0.856 511 V CB 1.575 33.315 31.823 -0.138 0.000 1.001 511 V HN 0.831 nan 8.190 nan 0.000 0.424 512 N N 2.479 120.991 118.700 -0.314 0.000 2.479 512 N HA 0.293 5.033 4.740 -0.000 0.000 0.257 512 N C -0.697 174.739 175.510 -0.123 0.000 1.232 512 N CA -0.506 52.417 53.050 -0.212 0.000 0.920 512 N CB 0.784 39.253 38.487 -0.030 0.000 1.105 512 N HN 0.446 nan 8.380 nan 0.000 0.444 513 L N 3.717 124.883 121.223 -0.094 0.000 2.321 513 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 513 L C -0.097 176.758 176.870 -0.025 0.000 1.050 513 L CA -0.383 54.423 54.840 -0.056 0.000 0.893 513 L CB -0.203 41.824 42.059 -0.055 0.000 1.272 513 L HN 0.399 nan 8.230 nan 0.000 0.435 514 K N 0.000 120.391 120.400 -0.015 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 514 K CB 0.000 32.501 32.500 0.002 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543