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 1e0t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKKTKIVCTI GPKTESEEML AKMLDAGMNV MRLNFSHGDY AEHGQRIQNL DATA SEQUENCE RNVMSKTGKT AAILLDTKGP EIRTMKLEGG NDVSLKAGQT FTFTTDKSVI DATA SEQUENCE GNSEMVAVTY EGFTTDLSVG NTVLVDDGLI GMEVTAIEGN KVICKVLNNG DATA SEQUENCE DLGENKGVNL PGVSIALPAL AEKDKQDLIF GCEQGVDFVA ASFIRKRSDV DATA SEQUENCE IEIREHLKAH GGENIHIISK IENQEGLNNF DEILEASDGI MVARGDLGVE DATA SEQUENCE IPVEEVIFAQ KMMIEKCIRA RKVVITATMX XXXXXXXXRP TDAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGEXXXXXX PLEAVSIMAT ICERTDRVMN SRLEXXXXXX DATA SEQUENCE XXXITEAVCR GAVETAEKLD APLIVVATQG GKSARAVRKY FPDATILALT DATA SEQUENCE TNEKTAHQLV LSKGVVPQLV KEITSTDDFY RLGKELALQS GLAHKGDVVV DATA SEQUENCE MVSGALVPSG TTNTASVHVL 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 0.000 176.318 176.300 0.029 0.000 1.140 1 M CA 0.000 55.317 55.300 0.028 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 K N 2.357 122.774 120.400 0.028 0.000 2.244 2 K HA 0.374 4.694 4.320 -0.001 0.000 0.242 2 K C -0.247 176.373 176.600 0.033 0.000 1.082 2 K CA -0.292 56.013 56.287 0.030 0.000 0.841 2 K CB 0.546 33.062 32.500 0.027 0.000 1.129 2 K HN 0.891 nan 8.250 nan 0.000 0.516 3 K N -0.997 119.424 120.400 0.035 0.000 2.601 3 K HA 0.091 4.411 4.320 -0.001 0.000 0.214 3 K C -0.489 176.129 176.600 0.029 0.000 1.628 3 K CA -0.054 56.253 56.287 0.034 0.000 1.036 3 K CB 1.410 33.936 32.500 0.044 0.000 1.352 3 K HN 0.521 nan 8.250 nan 0.000 0.607 4 T N 2.849 117.423 114.554 0.034 0.000 2.856 4 T HA 0.197 4.547 4.350 -0.001 0.000 0.292 4 T C -0.209 174.503 174.700 0.019 0.000 0.980 4 T CA -0.205 61.912 62.100 0.028 0.000 1.091 4 T CB 0.921 69.810 68.868 0.035 0.000 0.936 4 T HN -0.160 nan 8.240 nan 0.000 0.503 5 K N 3.186 123.593 120.400 0.011 0.000 2.174 5 K HA 0.427 4.747 4.320 -0.001 0.000 0.275 5 K C -0.074 176.528 176.600 0.004 0.000 1.015 5 K CA -0.333 55.960 56.287 0.009 0.000 0.933 5 K CB 1.183 33.684 32.500 0.003 0.000 1.025 5 K HN 0.535 nan 8.250 nan 0.000 0.463 6 I N 2.135 122.710 120.570 0.009 0.000 2.359 6 I HA 0.161 4.331 4.170 -0.001 0.000 0.294 6 I C -0.241 175.879 176.117 0.004 0.000 0.987 6 I CA -1.089 60.215 61.300 0.006 0.000 1.225 6 I CB 1.629 39.636 38.000 0.012 0.000 1.366 6 I HN 0.032 nan 8.210 nan 0.000 0.466 7 V N 5.964 125.876 119.914 -0.003 0.000 2.311 7 V HA 0.252 4.371 4.120 -0.001 0.000 0.275 7 V C -0.253 175.847 176.094 0.010 0.000 1.022 7 V CA -0.446 61.853 62.300 -0.002 0.000 0.830 7 V CB 0.879 32.689 31.823 -0.021 0.000 1.012 7 V HN 0.802 nan 8.190 nan 0.000 0.452 8 C N 3.227 122.539 119.300 0.019 0.000 2.355 8 C HA 0.522 4.982 4.460 -0.001 0.000 0.332 8 C C 0.978 175.987 174.990 0.033 0.000 1.255 8 C CA -0.613 58.419 59.018 0.023 0.000 1.792 8 C CB 1.067 28.821 27.740 0.024 0.000 2.300 8 C HN 0.803 nan 8.230 nan 0.000 0.515 9 T N 4.941 119.515 114.554 0.034 0.000 2.752 9 T HA 0.251 4.601 4.350 -0.001 0.000 0.295 9 T C 0.394 175.118 174.700 0.041 0.000 0.923 9 T CA 0.036 62.163 62.100 0.044 0.000 1.112 9 T CB -0.147 68.747 68.868 0.044 0.000 0.884 9 T HN 0.335 nan 8.240 nan 0.000 0.525 10 I N 2.754 123.355 120.570 0.051 0.000 2.612 10 I HA 0.655 4.824 4.170 -0.001 0.000 0.295 10 I C 1.024 177.163 176.117 0.036 0.000 1.011 10 I CA -0.218 61.108 61.300 0.043 0.000 1.326 10 I CB 1.110 39.142 38.000 0.053 0.000 1.427 10 I HN 0.759 nan 8.210 nan 0.000 0.537 11 G N 4.063 112.872 108.800 0.015 0.000 2.749 11 G HA2 0.511 4.470 3.960 -0.001 0.000 0.300 11 G HA3 0.511 4.470 3.960 -0.001 0.000 0.300 11 G C -2.641 172.249 174.900 -0.017 0.000 1.352 11 G CA -0.510 44.584 45.100 -0.009 0.000 0.789 11 G HN 0.274 nan 8.290 nan 0.000 0.509 12 P HA -0.033 nan 4.420 nan 0.000 0.214 12 P C 2.141 179.428 177.300 -0.022 0.000 1.163 12 P CA 2.976 66.055 63.100 -0.034 0.000 0.889 12 P CB 0.110 31.781 31.700 -0.048 0.000 0.790 13 K N -0.593 119.793 120.400 -0.023 0.000 2.442 13 K HA -0.051 4.269 4.320 -0.001 0.000 0.198 13 K C 1.550 178.145 176.600 -0.007 0.000 1.044 13 K CA 1.974 58.252 56.287 -0.016 0.000 0.948 13 K CB -1.787 30.703 32.500 -0.018 0.000 0.762 13 K HN 0.495 nan 8.250 nan 0.000 0.472 14 T N -2.269 112.282 114.554 -0.004 0.000 3.043 14 T HA 0.091 4.441 4.350 -0.001 0.000 0.272 14 T C 1.430 176.137 174.700 0.011 0.000 0.990 14 T CA 0.387 62.490 62.100 0.005 0.000 0.897 14 T CB 0.332 69.204 68.868 0.008 0.000 1.111 14 T HN 0.716 nan 8.240 nan 0.000 0.529 15 E N 2.281 122.487 120.200 0.009 0.000 2.216 15 E HA 0.006 4.356 4.350 -0.001 0.000 0.192 15 E C 1.195 177.805 176.600 0.016 0.000 0.988 15 E CA 0.427 56.836 56.400 0.016 0.000 0.834 15 E CB -0.286 29.423 29.700 0.015 0.000 0.772 15 E HN 0.531 nan 8.360 nan 0.000 0.479 16 S N 0.856 116.562 115.700 0.010 0.000 2.572 16 S HA -0.057 4.413 4.470 -0.001 0.000 0.267 16 S C 0.825 175.433 174.600 0.015 0.000 1.361 16 S CA -0.152 58.054 58.200 0.011 0.000 1.009 16 S CB 1.025 64.230 63.200 0.007 0.000 0.888 16 S HN 0.282 nan 8.310 nan 0.000 0.553 17 E N 0.648 120.857 120.200 0.015 0.000 2.338 17 E HA -0.112 4.237 4.350 -0.001 0.000 0.197 17 E C 1.409 178.018 176.600 0.014 0.000 1.007 17 E CA 1.011 57.421 56.400 0.016 0.000 0.849 17 E CB -0.053 29.656 29.700 0.016 0.000 0.774 17 E HN 0.704 nan 8.360 nan 0.000 0.506 18 E N 0.010 120.217 120.200 0.012 0.000 2.190 18 E HA -0.077 4.273 4.350 -0.001 0.000 0.191 18 E C 1.626 178.233 176.600 0.011 0.000 0.978 18 E CA 0.513 56.919 56.400 0.011 0.000 0.839 18 E CB 0.010 29.715 29.700 0.009 0.000 0.787 18 E HN 0.076 nan 8.360 nan 0.000 0.473 19 M N 0.065 119.671 119.600 0.011 0.000 2.098 19 M HA 0.038 4.518 4.480 -0.001 0.000 0.262 19 M C 1.669 177.977 176.300 0.014 0.000 1.072 19 M CA 1.372 56.678 55.300 0.011 0.000 1.133 19 M CB -0.273 32.332 32.600 0.009 0.000 1.344 19 M HN 0.079 nan 8.290 nan 0.000 0.414 20 L N -0.348 120.885 121.223 0.017 0.000 2.189 20 L HA -0.202 4.137 4.340 -0.001 0.000 0.214 20 L C 2.293 179.175 176.870 0.020 0.000 1.097 20 L CA 1.166 56.018 54.840 0.020 0.000 0.764 20 L CB -1.057 41.016 42.059 0.023 0.000 0.900 20 L HN 0.417 nan 8.230 nan 0.000 0.436 21 A N -0.522 122.309 122.820 0.018 0.000 2.067 21 A HA -0.103 4.217 4.320 -0.001 0.000 0.217 21 A C 2.280 179.874 177.584 0.017 0.000 1.156 21 A CA 0.910 52.958 52.037 0.018 0.000 0.683 21 A CB -0.092 18.918 19.000 0.016 0.000 0.808 21 A HN 0.307 nan 8.150 nan 0.000 0.455 22 K N -0.784 119.625 120.400 0.015 0.000 2.098 22 K HA 0.115 4.434 4.320 -0.001 0.000 0.203 22 K C 1.875 178.484 176.600 0.015 0.000 1.051 22 K CA 0.988 57.283 56.287 0.014 0.000 0.957 22 K CB -0.187 32.319 32.500 0.011 0.000 0.738 22 K HN 0.320 nan 8.250 nan 0.000 0.447 23 M N 0.952 120.562 119.600 0.016 0.000 2.279 23 M HA -0.125 4.354 4.480 -0.001 0.000 0.264 23 M C 2.050 178.362 176.300 0.020 0.000 1.062 23 M CA 1.417 56.727 55.300 0.017 0.000 1.099 23 M CB -0.529 32.082 32.600 0.019 0.000 1.394 23 M HN 0.180 nan 8.290 nan 0.000 0.426 24 L N -0.455 120.781 121.223 0.021 0.000 2.109 24 L HA -0.183 4.157 4.340 -0.001 0.000 0.207 24 L C 1.919 178.802 176.870 0.022 0.000 1.086 24 L CA 0.814 55.669 54.840 0.024 0.000 0.760 24 L CB -0.636 41.439 42.059 0.026 0.000 0.910 24 L HN 0.206 nan 8.230 nan 0.000 0.437 25 D N 0.472 120.884 120.400 0.019 0.000 2.178 25 D HA -0.135 4.504 4.640 -0.001 0.000 0.201 25 D C 2.161 178.472 176.300 0.017 0.000 0.980 25 D CA 1.365 55.376 54.000 0.018 0.000 0.842 25 D CB 0.051 40.861 40.800 0.016 0.000 0.948 25 D HN 0.280 nan 8.370 nan 0.000 0.472 26 A N -0.542 122.288 122.820 0.016 0.000 2.119 26 A HA 0.303 4.623 4.320 -0.001 0.000 0.217 26 A C 1.875 179.469 177.584 0.016 0.000 1.153 26 A CA 1.745 53.791 52.037 0.015 0.000 0.692 26 A CB 0.017 19.025 19.000 0.013 0.000 0.799 26 A HN 0.326 nan 8.150 nan 0.000 0.458 27 G N -2.351 106.460 108.800 0.019 0.000 2.485 27 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.181 27 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.181 27 G C 0.309 175.221 174.900 0.021 0.000 0.999 27 G CA 0.021 45.133 45.100 0.020 0.000 0.721 27 G HN 0.469 nan 8.290 nan 0.000 0.486 28 M N 1.103 120.716 119.600 0.022 0.000 2.246 28 M HA 0.296 4.776 4.480 -0.001 0.000 0.327 28 M C 1.035 177.353 176.300 0.029 0.000 1.090 28 M CA 1.577 56.892 55.300 0.024 0.000 1.087 28 M CB 0.189 32.804 32.600 0.025 0.000 1.587 28 M HN 0.291 nan 8.290 nan 0.000 0.444 29 N N 1.597 120.316 118.700 0.031 0.000 2.272 29 N HA 0.226 4.965 4.740 -0.001 0.000 0.228 29 N C -1.344 174.196 175.510 0.051 0.000 1.206 29 N CA -0.383 52.692 53.050 0.041 0.000 0.855 29 N CB 1.283 39.792 38.487 0.037 0.000 1.248 29 N HN 0.354 nan 8.380 nan 0.000 0.476 30 V N 1.774 121.712 119.914 0.041 0.000 2.623 30 V HA 0.318 4.437 4.120 -0.001 0.000 0.304 30 V C -0.971 175.151 176.094 0.047 0.000 1.054 30 V CA -0.617 61.714 62.300 0.052 0.000 0.882 30 V CB 2.252 34.093 31.823 0.030 0.000 1.002 30 V HN 0.194 nan 8.190 nan 0.000 0.424 31 M N 5.294 124.929 119.600 0.059 0.000 2.162 31 M HA 0.468 4.947 4.480 -0.001 0.000 0.356 31 M C -0.004 176.342 176.300 0.077 0.000 1.303 31 M CA -0.178 55.160 55.300 0.062 0.000 1.116 31 M CB 0.423 33.061 32.600 0.064 0.000 1.632 31 M HN 0.755 nan 8.290 nan 0.000 0.469 32 R N 5.603 126.145 120.500 0.071 0.000 2.460 32 R HA 0.588 4.928 4.340 -0.001 0.000 0.303 32 R C -1.893 174.468 176.300 0.101 0.000 0.968 32 R CA -0.591 55.559 56.100 0.083 0.000 0.889 32 R CB 0.967 31.304 30.300 0.062 0.000 1.123 32 R HN 0.814 nan 8.270 nan 0.000 0.455 33 L N 4.164 125.464 121.223 0.130 0.000 2.294 33 L HA 0.328 4.668 4.340 -0.001 0.000 0.283 33 L C -0.351 176.590 176.870 0.118 0.000 1.015 33 L CA -0.886 54.018 54.840 0.106 0.000 0.831 33 L CB 1.456 43.632 42.059 0.195 0.000 1.217 33 L HN 0.593 nan 8.230 nan 0.000 0.420 34 N N 2.703 121.435 118.700 0.053 0.000 2.439 34 N HA 0.176 4.915 4.740 -0.001 0.000 0.249 34 N C 0.334 175.834 175.510 -0.017 0.000 1.003 34 N CA -0.273 52.833 53.050 0.092 0.000 0.942 34 N CB 0.750 39.314 38.487 0.128 0.000 1.115 34 N HN 0.328 nan 8.380 nan 0.000 0.505 35 F N 1.336 121.269 119.950 -0.029 0.000 2.722 35 F HA 0.009 4.535 4.527 -0.000 0.000 0.298 35 F C 2.164 177.938 175.800 -0.043 0.000 1.175 35 F CA 0.346 58.325 58.000 -0.034 0.000 1.462 35 F CB 0.028 39.003 39.000 -0.042 0.000 1.111 35 F HN 0.464 nan 8.300 nan 0.000 0.592 36 S N -1.422 114.244 115.700 -0.056 0.000 2.507 36 S HA -0.044 4.426 4.470 -0.001 0.000 0.235 36 S C 0.418 174.627 174.600 -0.653 0.000 0.988 36 S CA 0.661 58.654 58.200 -0.346 0.000 0.944 36 S CB -0.284 62.645 63.200 -0.451 0.000 0.762 36 S HN 0.393 nan 8.310 nan 0.000 0.526 37 H N -2.459 116.592 119.070 -0.032 0.000 3.054 37 H HA 0.459 5.015 4.556 -0.001 0.000 0.271 37 H C 0.700 175.949 175.328 -0.132 0.000 1.551 37 H CA -0.322 55.682 56.048 -0.073 0.000 1.196 37 H CB 0.420 30.140 29.762 -0.070 0.000 1.867 37 H HN 0.263 nan 8.280 nan 0.000 0.637 38 G N 0.773 109.543 108.800 -0.049 0.000 2.601 38 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.252 38 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.252 38 G C -0.837 173.830 174.900 -0.389 0.000 1.294 38 G CA 0.784 45.685 45.100 -0.332 0.000 0.912 38 G HN 1.080 nan 8.290 nan 0.000 0.574 39 D N -3.057 116.992 120.400 -0.585 0.000 2.639 39 D HA 0.477 5.117 4.640 -0.001 0.000 0.271 39 D C 0.636 176.719 176.300 -0.362 0.000 1.254 39 D CA -0.533 53.190 54.000 -0.461 0.000 0.810 39 D CB -0.223 40.388 40.800 -0.314 0.000 1.351 39 D HN 0.324 nan 8.370 nan 0.000 0.427 40 Y N 0.414 120.592 120.300 -0.204 0.000 2.193 40 Y HA -0.019 4.531 4.550 -0.000 0.000 0.285 40 Y C 2.625 178.500 175.900 -0.041 0.000 1.166 40 Y CA 1.716 59.593 58.100 -0.372 0.000 1.181 40 Y CB -1.299 36.903 38.460 -0.431 0.000 0.976 40 Y HN 0.615 nan 8.280 nan 0.000 0.520 41 A N 0.038 122.920 122.820 0.104 0.000 1.898 41 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 41 A C 2.142 179.780 177.584 0.091 0.000 1.181 41 A CA 1.626 53.738 52.037 0.124 0.000 0.620 41 A CB -0.567 18.468 19.000 0.058 0.000 0.819 41 A HN 0.514 nan 8.150 nan 0.000 0.442 42 E N -0.911 119.268 120.200 -0.034 0.000 2.015 42 E HA -0.182 4.167 4.350 -0.001 0.000 0.191 42 E C 2.052 178.656 176.600 0.006 0.000 0.991 42 E CA 1.207 57.553 56.400 -0.090 0.000 0.802 42 E CB -0.398 29.129 29.700 -0.289 0.000 0.759 42 E HN 0.654 nan 8.360 nan 0.000 0.447 43 H N -0.073 119.027 119.070 0.051 0.000 2.319 43 H HA -0.102 4.453 4.556 -0.000 0.000 0.297 43 H C 2.294 177.812 175.328 0.317 0.000 1.097 43 H CA 1.576 57.714 56.048 0.150 0.000 1.285 43 H CB -0.811 29.051 29.762 0.166 0.000 1.368 43 H HN 0.316 nan 8.280 nan 0.000 0.495 44 G N 0.018 109.181 108.800 0.605 0.000 2.448 44 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.219 44 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.219 44 G C 1.811 176.849 174.900 0.231 0.000 1.127 44 G CA 0.873 46.250 45.100 0.462 0.000 0.766 44 G HN 0.336 nan 8.290 nan 0.000 0.552 45 Q N 0.269 120.180 119.800 0.186 0.000 2.083 45 Q HA 0.066 4.406 4.340 -0.001 0.000 0.198 45 Q C 2.529 178.587 176.000 0.096 0.000 0.969 45 Q CA 1.201 57.069 55.803 0.109 0.000 0.838 45 Q CB -0.278 28.502 28.738 0.071 0.000 0.900 45 Q HN 0.366 nan 8.270 nan 0.000 0.436 46 R N -0.061 120.510 120.500 0.118 0.000 2.083 46 R HA -0.060 4.280 4.340 -0.001 0.000 0.237 46 R C 2.060 178.421 176.300 0.102 0.000 1.137 46 R CA 1.802 57.966 56.100 0.106 0.000 0.951 46 R CB -0.499 29.892 30.300 0.150 0.000 0.851 46 R HN 0.392 nan 8.270 nan 0.000 0.434 47 I N 0.006 120.655 120.570 0.131 0.000 2.394 47 I HA -0.238 3.931 4.170 -0.001 0.000 0.251 47 I C 2.229 178.374 176.117 0.046 0.000 1.136 47 I CA 1.188 62.540 61.300 0.088 0.000 1.425 47 I CB -0.347 37.708 38.000 0.092 0.000 1.079 47 I HN 0.312 nan 8.210 nan 0.000 0.425 48 Q N 1.662 121.494 119.800 0.054 0.000 2.083 48 Q HA -0.153 4.187 4.340 -0.001 0.000 0.198 48 Q C 1.844 177.862 176.000 0.029 0.000 0.969 48 Q CA 1.700 57.523 55.803 0.033 0.000 0.838 48 Q CB -0.099 28.663 28.738 0.041 0.000 0.900 48 Q HN 0.385 nan 8.270 nan 0.000 0.436 49 N N 0.103 118.826 118.700 0.037 0.000 2.223 49 N HA -0.143 4.596 4.740 -0.001 0.000 0.185 49 N C 1.453 176.979 175.510 0.026 0.000 1.016 49 N CA 0.965 54.033 53.050 0.030 0.000 0.863 49 N CB -0.369 38.137 38.487 0.031 0.000 0.983 49 N HN 0.254 nan 8.380 nan 0.000 0.429 50 L N 1.642 122.882 121.223 0.028 0.000 2.056 50 L HA -0.023 4.316 4.340 -0.001 0.000 0.207 50 L C 2.058 178.934 176.870 0.010 0.000 1.078 50 L CA 1.470 56.322 54.840 0.020 0.000 0.749 50 L CB -0.254 41.817 42.059 0.020 0.000 0.901 50 L HN 0.036 nan 8.230 nan 0.000 0.433 51 R N -0.581 119.920 120.500 0.002 0.000 2.120 51 R HA -0.112 4.228 4.340 -0.001 0.000 0.234 51 R C 1.917 178.223 176.300 0.010 0.000 1.123 51 R CA 1.284 57.381 56.100 -0.004 0.000 0.975 51 R CB -0.805 29.485 30.300 -0.016 0.000 0.866 51 R HN 0.440 nan 8.270 nan 0.000 0.446 52 N N 0.825 119.533 118.700 0.013 0.000 2.084 52 N HA -0.120 4.620 4.740 -0.001 0.000 0.190 52 N C 1.948 177.468 175.510 0.017 0.000 1.030 52 N CA 1.010 54.069 53.050 0.016 0.000 0.849 52 N CB -0.549 37.948 38.487 0.016 0.000 1.012 52 N HN -0.033 nan 8.380 nan 0.000 0.423 53 V N 1.799 121.724 119.914 0.018 0.000 2.324 53 V HA -0.269 3.851 4.120 -0.001 0.000 0.250 53 V C 2.298 178.406 176.094 0.022 0.000 1.060 53 V CA 1.502 63.814 62.300 0.020 0.000 1.042 53 V CB -0.470 31.366 31.823 0.020 0.000 0.650 53 V HN 0.310 nan 8.190 nan 0.000 0.450 54 M N -0.518 119.096 119.600 0.024 0.000 2.065 54 M HA -0.201 4.278 4.480 -0.001 0.000 0.259 54 M C 2.478 178.798 176.300 0.033 0.000 1.071 54 M CA 2.316 57.635 55.300 0.033 0.000 1.109 54 M CB -0.764 31.860 32.600 0.039 0.000 1.313 54 M HN 0.330 nan 8.290 nan 0.000 0.408 55 S N 0.637 116.354 115.700 0.029 0.000 2.359 55 S HA -0.222 4.247 4.470 -0.001 0.000 0.223 55 S C 2.439 177.051 174.600 0.021 0.000 1.039 55 S CA 2.325 60.540 58.200 0.025 0.000 1.042 55 S CB -0.855 62.357 63.200 0.020 0.000 0.915 55 S HN 0.575 nan 8.310 nan 0.000 0.439 56 K N 0.872 121.283 120.400 0.019 0.000 2.059 56 K HA -0.210 4.110 4.320 -0.001 0.000 0.212 56 K C 2.229 178.839 176.600 0.017 0.000 1.050 56 K CA 2.297 58.594 56.287 0.017 0.000 0.927 56 K CB -1.891 30.619 32.500 0.016 0.000 0.714 56 K HN 0.743 nan 8.250 nan 0.000 0.447 57 T N -5.478 109.088 114.554 0.020 0.000 3.014 57 T HA 0.393 4.743 4.350 -0.001 0.000 0.250 57 T C 1.817 176.530 174.700 0.021 0.000 1.060 57 T CA 1.184 63.296 62.100 0.020 0.000 1.040 57 T CB 0.469 69.350 68.868 0.021 0.000 0.971 57 T HN 1.541 nan 8.240 nan 0.000 0.497 58 G N 1.730 110.545 108.800 0.025 0.000 2.179 58 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.260 58 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.260 58 G C 0.030 174.949 174.900 0.032 0.000 0.977 58 G CA 0.231 45.347 45.100 0.026 0.000 0.641 58 G HN 0.683 nan 8.290 nan 0.000 0.533 59 K N 0.814 121.234 120.400 0.035 0.000 2.258 59 K HA 0.503 4.823 4.320 -0.001 0.000 0.264 59 K C 0.364 176.998 176.600 0.056 0.000 1.007 59 K CA 0.510 56.821 56.287 0.039 0.000 0.941 59 K CB 0.542 33.063 32.500 0.035 0.000 0.966 59 K HN 0.180 nan 8.250 nan 0.000 0.480 60 T N 0.240 114.834 114.554 0.066 0.000 2.942 60 T HA 0.738 5.088 4.350 -0.001 0.000 0.289 60 T C -0.924 173.837 174.700 0.101 0.000 1.044 60 T CA -0.886 61.276 62.100 0.105 0.000 1.023 60 T CB 1.807 70.737 68.868 0.102 0.000 1.123 60 T HN 0.685 nan 8.240 nan 0.000 0.512 61 A N 0.319 123.215 122.820 0.126 0.000 2.599 61 A HA 0.828 5.148 4.320 -0.001 0.000 0.294 61 A C -0.923 176.705 177.584 0.073 0.000 1.055 61 A CA -0.557 51.530 52.037 0.083 0.000 0.683 61 A CB 0.672 19.698 19.000 0.043 0.000 1.278 61 A HN 1.162 nan 8.150 nan 0.000 0.412 62 A N 0.333 123.213 122.820 0.100 0.000 2.352 62 A HA 0.964 5.283 4.320 -0.001 0.000 0.299 62 A C -0.626 177.011 177.584 0.089 0.000 1.160 62 A CA -0.640 51.468 52.037 0.119 0.000 0.933 62 A CB 0.740 19.930 19.000 0.316 0.000 1.387 62 A HN 1.099 nan 8.150 nan 0.000 0.487 63 I N 0.440 121.085 120.570 0.126 0.000 2.563 63 I HA 0.265 4.435 4.170 -0.001 0.000 0.285 63 I C -1.089 175.140 176.117 0.187 0.000 1.123 63 I CA -0.009 61.356 61.300 0.110 0.000 1.059 63 I CB 1.641 39.656 38.000 0.024 0.000 1.229 63 I HN 0.583 nan 8.210 nan 0.000 0.442 64 L N 6.990 128.327 121.223 0.190 0.000 2.325 64 L HA 0.643 4.983 4.340 -0.001 0.000 0.279 64 L C -1.277 175.688 176.870 0.158 0.000 1.054 64 L CA -0.581 54.379 54.840 0.199 0.000 0.804 64 L CB 1.823 43.958 42.059 0.127 0.000 1.200 64 L HN 0.578 nan 8.230 nan 0.000 0.436 65 L N 4.821 126.130 121.223 0.143 0.000 2.372 65 L HA 0.462 4.802 4.340 -0.001 0.000 0.273 65 L C -1.532 175.408 176.870 0.116 0.000 0.989 65 L CA -0.551 54.375 54.840 0.144 0.000 0.841 65 L CB 1.467 43.527 42.059 0.000 0.000 1.225 65 L HN 0.608 nan 8.230 nan 0.000 0.414 66 D N 3.021 123.525 120.400 0.172 0.000 2.193 66 D HA 0.297 4.936 4.640 -0.001 0.000 0.244 66 D C -0.584 175.809 176.300 0.155 0.000 1.064 66 D CA 0.047 54.124 54.000 0.129 0.000 0.845 66 D CB 2.110 42.979 40.800 0.114 0.000 1.148 66 D HN 0.416 nan 8.370 nan 0.000 0.464 67 T N 2.988 117.597 114.554 0.091 0.000 2.889 67 T HA 0.104 4.454 4.350 -0.001 0.000 0.291 67 T C 1.295 176.034 174.700 0.065 0.000 0.995 67 T CA -0.398 61.744 62.100 0.069 0.000 1.092 67 T CB 1.575 70.457 68.868 0.024 0.000 0.954 67 T HN 0.395 nan 8.240 nan 0.000 0.506 68 K N 2.241 122.674 120.400 0.055 0.000 2.044 68 K HA 0.174 4.494 4.320 -0.001 0.000 0.204 68 K C 1.008 177.613 176.600 0.008 0.000 1.049 68 K CA 1.003 57.300 56.287 0.017 0.000 0.945 68 K CB -0.462 32.039 32.500 0.001 0.000 0.724 68 K HN 0.937 nan 8.250 nan 0.000 0.440 69 G N 1.543 110.349 108.800 0.011 0.000 2.819 69 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.682 69 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.682 69 G C -2.610 172.271 174.900 -0.031 0.000 1.481 69 G CA -0.385 44.724 45.100 0.014 0.000 0.904 69 G HN 0.263 nan 8.290 nan 0.000 0.563 70 P HA 0.458 nan 4.420 nan 0.000 0.273 70 P C -0.148 177.009 177.300 -0.238 0.000 1.250 70 P CA 0.201 63.238 63.100 -0.106 0.000 0.793 70 P CB 0.889 32.547 31.700 -0.070 0.000 1.011 71 E N -0.432 119.629 120.200 -0.232 0.000 2.396 71 E HA 0.430 4.780 4.350 -0.001 0.000 0.280 71 E C -0.961 175.515 176.600 -0.207 0.000 1.065 71 E CA -0.662 55.570 56.400 -0.281 0.000 0.831 71 E CB 1.310 30.903 29.700 -0.179 0.000 1.272 71 E HN 0.303 nan 8.360 nan 0.000 0.443 72 I N 1.952 122.406 120.570 -0.193 0.000 2.339 72 I HA 0.479 4.649 4.170 -0.001 0.000 0.290 72 I C -0.035 176.059 176.117 -0.038 0.000 0.994 72 I CA -0.521 60.738 61.300 -0.069 0.000 1.191 72 I CB 0.947 38.955 38.000 0.013 0.000 1.343 72 I HN 0.226 nan 8.210 nan 0.000 0.458 73 R N 2.872 123.361 120.500 -0.017 0.000 2.888 73 R HA 0.570 4.910 4.340 -0.001 0.000 0.266 73 R C -0.546 175.746 176.300 -0.013 0.000 1.020 73 R CA -0.823 55.267 56.100 -0.017 0.000 0.963 73 R CB 2.566 32.859 30.300 -0.012 0.000 1.197 73 R HN 0.665 nan 8.270 nan 0.000 0.481 74 T N -1.113 113.457 114.554 0.027 0.000 2.909 74 T HA 0.416 4.766 4.350 -0.001 0.000 0.289 74 T C 0.945 175.671 174.700 0.044 0.000 1.005 74 T CA -0.668 61.476 62.100 0.073 0.000 1.084 74 T CB 1.014 69.975 68.868 0.154 0.000 0.975 74 T HN 0.324 nan 8.240 nan 0.000 0.509 75 M N 0.796 120.420 119.600 0.041 0.000 2.308 75 M HA 0.415 4.895 4.480 -0.001 0.000 0.212 75 M C 0.584 176.898 176.300 0.022 0.000 0.857 75 M CA -0.919 54.394 55.300 0.021 0.000 1.856 75 M CB 0.037 32.641 32.600 0.006 0.000 1.108 75 M HN 0.372 nan 8.290 nan 0.000 0.899 76 K N 1.929 122.336 120.400 0.011 0.000 2.218 76 K HA 0.527 4.847 4.320 -0.001 0.000 0.276 76 K C -0.806 175.800 176.600 0.010 0.000 1.022 76 K CA 0.004 56.296 56.287 0.008 0.000 0.946 76 K CB 0.604 33.105 32.500 0.001 0.000 1.000 76 K HN 0.439 nan 8.250 nan 0.000 0.468 77 L N 2.009 123.240 121.223 0.012 0.000 2.334 77 L HA 0.286 4.626 4.340 -0.001 0.000 0.273 77 L C 0.431 177.305 176.870 0.006 0.000 1.013 77 L CA -0.879 53.970 54.840 0.014 0.000 0.816 77 L CB 1.631 43.704 42.059 0.024 0.000 1.278 77 L HN 0.505 nan 8.230 nan 0.000 0.431 78 E N 1.382 121.584 120.200 0.002 0.000 2.558 78 E HA 0.061 4.410 4.350 -0.001 0.000 0.255 78 E C 0.984 177.584 176.600 0.001 0.000 0.968 78 E CA 0.926 57.325 56.400 -0.001 0.000 0.939 78 E CB 0.296 29.994 29.700 -0.004 0.000 0.921 78 E HN 0.882 nan 8.360 nan 0.000 0.477 79 G N 3.004 111.804 108.800 -0.001 0.000 2.196 79 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.268 79 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.268 79 G C 0.947 175.848 174.900 0.001 0.000 0.975 79 G CA 0.372 45.472 45.100 -0.000 0.000 0.648 79 G HN 1.357 nan 8.290 nan 0.000 0.538 80 G N -1.204 107.598 108.800 0.002 0.000 2.147 80 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.244 80 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.244 80 G C -0.033 174.870 174.900 0.005 0.000 1.005 80 G CA 0.685 45.787 45.100 0.004 0.000 0.713 80 G HN 1.139 nan 8.290 nan 0.000 0.515 81 N N 0.760 119.464 118.700 0.005 0.000 2.479 81 N HA 0.432 5.172 4.740 -0.001 0.000 0.285 81 N C -0.902 174.613 175.510 0.008 0.000 1.075 81 N CA -0.900 52.154 53.050 0.005 0.000 0.967 81 N CB 0.757 39.247 38.487 0.004 0.000 1.137 81 N HN 0.068 nan 8.380 nan 0.000 0.472 82 D N 1.415 121.818 120.400 0.005 0.000 2.417 82 D HA 0.069 4.708 4.640 -0.001 0.000 0.250 82 D C 0.066 176.368 176.300 0.004 0.000 1.166 82 D CA -0.078 53.924 54.000 0.004 0.000 0.881 82 D CB 0.783 41.582 40.800 -0.002 0.000 1.164 82 D HN 0.163 nan 8.370 nan 0.000 0.467 83 V N -0.153 119.765 119.914 0.006 0.000 2.837 83 V HA 0.624 4.743 4.120 -0.001 0.000 0.310 83 V C 0.104 176.188 176.094 -0.016 0.000 1.059 83 V CA -0.748 61.556 62.300 0.007 0.000 1.004 83 V CB 1.955 33.800 31.823 0.037 0.000 1.045 83 V HN 0.344 nan 8.190 nan 0.000 0.465 84 S N 4.518 120.209 115.700 -0.015 0.000 2.423 84 S HA 0.602 5.072 4.470 -0.001 0.000 0.317 84 S C -0.316 174.258 174.600 -0.044 0.000 1.065 84 S CA -0.456 57.726 58.200 -0.030 0.000 1.111 84 S CB 0.282 63.472 63.200 -0.017 0.000 0.968 84 S HN 0.640 nan 8.310 nan 0.000 0.474 85 L N 3.101 124.271 121.223 -0.088 0.000 2.292 85 L HA 0.517 4.856 4.340 -0.001 0.000 0.284 85 L C 0.638 177.466 176.870 -0.070 0.000 1.065 85 L CA -0.651 54.119 54.840 -0.116 0.000 0.806 85 L CB 0.439 42.340 42.059 -0.263 0.000 1.175 85 L HN 0.556 nan 8.230 nan 0.000 0.431 86 K N 2.481 122.857 120.400 -0.040 0.000 2.130 86 K HA 0.788 5.108 4.320 -0.001 0.000 0.268 86 K C 0.198 176.787 176.600 -0.017 0.000 0.983 86 K CA -0.105 56.169 56.287 -0.021 0.000 0.893 86 K CB 1.340 33.836 32.500 -0.006 0.000 1.066 86 K HN 0.762 nan 8.250 nan 0.000 0.450 87 A N 0.194 123.007 122.820 -0.012 0.000 2.536 87 A HA 0.463 4.783 4.320 -0.001 0.000 0.234 87 A C 1.974 179.563 177.584 0.008 0.000 1.076 87 A CA 1.128 53.163 52.037 -0.003 0.000 0.769 87 A CB -0.849 18.151 19.000 -0.000 0.000 1.020 87 A HN 2.479 nan 8.150 nan 0.000 0.508 88 G N -0.164 108.646 108.800 0.016 0.000 2.366 88 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.263 88 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.263 88 G C 0.561 175.481 174.900 0.032 0.000 0.986 88 G CA 1.382 46.496 45.100 0.025 0.000 0.632 88 G HN 1.610 nan 8.290 nan 0.000 0.555 89 Q N 0.455 120.273 119.800 0.031 0.000 2.492 89 Q HA 0.519 4.859 4.340 -0.001 0.000 0.238 89 Q C -0.135 175.907 176.000 0.071 0.000 1.045 89 Q CA 0.415 56.244 55.803 0.044 0.000 0.934 89 Q CB 0.305 29.071 28.738 0.047 0.000 1.276 89 Q HN 0.207 nan 8.270 nan 0.000 0.521 90 T N 1.796 116.395 114.554 0.075 0.000 2.910 90 T HA 0.467 4.816 4.350 -0.001 0.000 0.293 90 T C -1.154 173.644 174.700 0.163 0.000 1.015 90 T CA -0.186 61.971 62.100 0.095 0.000 1.094 90 T CB 0.179 69.079 68.868 0.053 0.000 0.968 90 T HN 0.475 nan 8.240 nan 0.000 0.521 91 F N 1.548 121.474 119.950 -0.041 0.000 2.651 91 F HA 0.364 4.891 4.527 -0.001 0.000 0.329 91 F C -0.730 174.985 175.800 -0.141 0.000 1.186 91 F CA -0.527 57.404 58.000 -0.116 0.000 1.046 91 F CB 1.455 40.371 39.000 -0.141 0.000 1.296 91 F HN 0.469 nan 8.300 nan 0.000 0.497 92 T N 6.243 120.452 114.554 -0.575 0.000 2.794 92 T HA 0.518 4.868 4.350 -0.001 0.000 0.280 92 T C -0.839 173.495 174.700 -0.610 0.000 0.987 92 T CA -0.171 61.690 62.100 -0.399 0.000 0.993 92 T CB 0.721 69.445 68.868 -0.239 0.000 0.939 92 T HN 0.293 nan 8.240 nan 0.000 0.449 93 F N 1.551 121.434 119.950 -0.112 0.000 2.399 93 F HA 0.583 5.110 4.527 -0.000 0.000 0.334 93 F C 1.003 176.738 175.800 -0.108 0.000 1.097 93 F CA -0.510 57.422 58.000 -0.114 0.000 1.076 93 F CB 1.866 40.841 39.000 -0.041 0.000 1.162 93 F HN 0.376 nan 8.300 nan 0.000 0.495 94 T N 1.111 115.685 114.554 0.033 0.000 2.916 94 T HA 0.214 4.564 4.350 -0.001 0.000 0.298 94 T C 0.703 175.385 174.700 -0.031 0.000 1.031 94 T CA -0.401 61.697 62.100 -0.004 0.000 0.993 94 T CB 1.512 70.354 68.868 -0.043 0.000 1.045 94 T HN 0.666 nan 8.240 nan 0.000 0.454 95 T N 2.591 117.136 114.554 -0.015 0.000 2.867 95 T HA -0.037 4.313 4.350 -0.001 0.000 0.268 95 T C 0.605 175.285 174.700 -0.034 0.000 1.057 95 T CA 1.023 63.104 62.100 -0.032 0.000 1.136 95 T CB -0.327 68.531 68.868 -0.017 0.000 0.874 95 T HN 0.667 nan 8.240 nan 0.000 0.466 96 D N 1.539 121.923 120.400 -0.028 0.000 2.346 96 D HA 0.030 4.670 4.640 -0.001 0.000 0.267 96 D C 0.993 177.277 176.300 -0.027 0.000 1.320 96 D CA 0.209 54.193 54.000 -0.026 0.000 0.951 96 D CB 0.479 41.264 40.800 -0.025 0.000 1.079 96 D HN 0.233 nan 8.370 nan 0.000 0.509 97 K N 1.438 121.824 120.400 -0.022 0.000 2.280 97 K HA -0.124 4.195 4.320 -0.001 0.000 0.202 97 K C 1.882 178.472 176.600 -0.017 0.000 1.047 97 K CA 1.103 57.380 56.287 -0.018 0.000 0.942 97 K CB 0.014 32.507 32.500 -0.011 0.000 0.739 97 K HN 0.436 nan 8.250 nan 0.000 0.457 98 S N 0.606 116.295 115.700 -0.018 0.000 2.428 98 S HA -0.032 4.438 4.470 -0.001 0.000 0.230 98 S C 1.023 175.610 174.600 -0.021 0.000 1.014 98 S CA -0.005 58.185 58.200 -0.017 0.000 0.957 98 S CB -0.448 62.743 63.200 -0.015 0.000 0.784 98 S HN -0.051 nan 8.310 nan 0.000 0.499 99 V N 3.828 123.725 119.914 -0.028 0.000 2.599 99 V HA 0.113 4.233 4.120 -0.001 0.000 0.300 99 V C 0.354 176.427 176.094 -0.035 0.000 1.034 99 V CA -0.103 62.175 62.300 -0.037 0.000 1.115 99 V CB -0.123 31.670 31.823 -0.051 0.000 0.934 99 V HN 0.423 nan 8.190 nan 0.000 0.485 100 I N 4.707 125.257 120.570 -0.034 0.000 2.312 100 I HA 0.328 4.498 4.170 -0.001 0.000 0.291 100 I C 1.121 177.216 176.117 -0.037 0.000 1.031 100 I CA 0.316 61.599 61.300 -0.027 0.000 1.293 100 I CB 0.660 38.648 38.000 -0.019 0.000 1.403 100 I HN 0.742 nan 8.210 nan 0.000 0.484 101 G N 5.907 114.688 108.800 -0.032 0.000 2.699 101 G HA2 0.303 4.263 3.960 -0.001 0.000 0.246 101 G HA3 0.303 4.263 3.960 -0.001 0.000 0.246 101 G C -0.021 174.869 174.900 -0.018 0.000 1.219 101 G CA -0.058 45.020 45.100 -0.038 0.000 0.866 101 G HN 0.857 nan 8.290 nan 0.000 0.572 102 N N -3.924 114.772 118.700 -0.008 0.000 3.373 102 N HA 0.098 4.837 4.740 -0.001 0.000 0.275 102 N C 0.846 176.407 175.510 0.084 0.000 1.489 102 N CA 0.143 53.205 53.050 0.020 0.000 0.872 102 N CB 0.135 38.615 38.487 -0.012 0.000 1.555 102 N HN 0.513 nan 8.380 nan 0.000 0.500 103 S N -1.159 114.595 115.700 0.090 0.000 2.440 103 S HA -0.151 4.319 4.470 -0.001 0.000 0.238 103 S C 0.828 175.561 174.600 0.222 0.000 1.010 103 S CA 1.552 59.849 58.200 0.162 0.000 0.972 103 S CB -0.541 62.709 63.200 0.084 0.000 0.774 103 S HN 0.646 nan 8.310 nan 0.000 0.501 104 E N 0.133 120.349 120.200 0.027 0.000 2.340 104 E HA 0.406 4.756 4.350 -0.001 0.000 0.194 104 E C 0.451 176.766 176.600 -0.475 0.000 0.996 104 E CA 0.292 56.631 56.400 -0.101 0.000 0.869 104 E CB 0.334 29.985 29.700 -0.082 0.000 0.835 104 E HN 0.648 nan 8.360 nan 0.000 0.493 105 M N -0.335 118.885 119.600 -0.633 0.000 2.755 105 M HA 0.364 4.844 4.480 -0.001 0.000 0.276 105 M C -2.288 173.637 176.300 -0.625 0.000 1.129 105 M CA -0.641 54.099 55.300 -0.934 0.000 0.832 105 M CB 1.944 34.248 32.600 -0.493 0.000 1.700 105 M HN -0.142 nan 8.290 nan 0.000 0.518 106 V N 1.639 121.188 119.914 -0.608 0.000 3.120 106 V HA 0.957 5.077 4.120 -0.001 0.000 0.303 106 V C -1.485 174.529 176.094 -0.133 0.000 1.238 106 V CA -0.067 62.097 62.300 -0.226 0.000 1.008 106 V CB 2.330 34.140 31.823 -0.022 0.000 1.064 106 V HN 1.122 nan 8.190 nan 0.000 0.434 107 A N 3.633 126.425 122.820 -0.046 0.000 2.312 107 A HA 0.856 5.175 4.320 -0.001 0.000 0.326 107 A C -0.448 177.133 177.584 -0.005 0.000 1.172 107 A CA -0.130 51.891 52.037 -0.027 0.000 0.821 107 A CB 1.467 20.444 19.000 -0.039 0.000 1.166 107 A HN 1.797 nan 8.150 nan 0.000 0.493 108 V N 0.322 120.194 119.914 -0.071 0.000 2.612 108 V HA 0.605 4.725 4.120 -0.001 0.000 0.301 108 V C 1.045 177.096 176.094 -0.072 0.000 1.046 108 V CA 0.231 62.448 62.300 -0.138 0.000 0.946 108 V CB 0.840 32.360 31.823 -0.506 0.000 1.003 108 V HN 1.159 nan 8.190 nan 0.000 0.459 109 T N -0.581 113.962 114.554 -0.019 0.000 3.163 109 T HA -0.023 4.327 4.350 -0.001 0.000 0.260 109 T C 0.352 175.113 174.700 0.102 0.000 1.156 109 T CA 0.919 63.036 62.100 0.029 0.000 1.072 109 T CB -0.634 68.254 68.868 0.033 0.000 0.937 109 T HN 0.880 nan 8.240 nan 0.000 0.528 110 Y N 1.701 121.982 120.300 -0.032 0.000 2.491 110 Y HA 0.427 4.976 4.550 -0.001 0.000 0.334 110 Y C 1.050 176.997 175.900 0.078 0.000 0.969 110 Y CA -2.207 55.916 58.100 0.040 0.000 1.241 110 Y CB 1.012 39.533 38.460 0.101 0.000 1.105 110 Y HN 0.158 nan 8.280 nan 0.000 0.503 111 E N 3.084 123.128 120.200 -0.260 0.000 2.160 111 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 111 E C 1.587 177.874 176.600 -0.521 0.000 0.991 111 E CA 1.316 57.530 56.400 -0.310 0.000 0.810 111 E CB -0.098 29.520 29.700 -0.138 0.000 0.742 111 E HN 1.023 nan 8.360 nan 0.000 0.466 112 G N -0.497 107.604 108.800 -1.165 0.000 3.026 112 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.208 112 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.208 112 G C 0.927 175.523 174.900 -0.507 0.000 1.169 112 G CA -0.312 44.321 45.100 -0.779 0.000 0.788 112 G HN 0.251 nan 8.290 nan 0.000 0.533 113 F N 2.887 122.430 119.950 -0.678 0.000 2.085 113 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 113 F C 3.030 178.815 175.800 -0.025 0.000 1.096 113 F CA 2.411 60.352 58.000 -0.099 0.000 1.227 113 F CB -0.323 38.650 39.000 -0.045 0.000 0.983 113 F HN 0.268 nan 8.300 nan 0.000 0.482 114 T N -3.753 110.846 114.554 0.074 0.000 2.777 114 T HA -0.155 4.195 4.350 -0.001 0.000 0.266 114 T C 1.926 176.615 174.700 -0.018 0.000 1.040 114 T CA 1.719 63.843 62.100 0.039 0.000 1.141 114 T CB -1.120 67.775 68.868 0.045 0.000 0.868 114 T HN 0.247 nan 8.240 nan 0.000 0.444 115 T N 2.373 116.909 114.554 -0.031 0.000 2.614 115 T HA -0.111 4.238 4.350 -0.001 0.000 0.263 115 T C 1.768 176.459 174.700 -0.014 0.000 1.055 115 T CA 1.660 63.748 62.100 -0.020 0.000 1.162 115 T CB -0.730 68.124 68.868 -0.023 0.000 0.863 115 T HN 0.419 nan 8.240 nan 0.000 0.414 116 D N 0.661 121.063 120.400 0.003 0.000 2.178 116 D HA 0.029 4.668 4.640 -0.001 0.000 0.201 116 D C 0.968 177.231 176.300 -0.062 0.000 0.980 116 D CA 0.298 54.299 54.000 0.003 0.000 0.842 116 D CB -0.507 40.329 40.800 0.061 0.000 0.948 116 D HN 0.159 nan 8.370 nan 0.000 0.472 117 L N 0.422 121.565 121.223 -0.133 0.000 2.475 117 L HA 0.240 4.580 4.340 -0.001 0.000 0.250 117 L C 0.249 177.072 176.870 -0.079 0.000 1.224 117 L CA 0.066 54.807 54.840 -0.165 0.000 0.821 117 L CB 0.680 42.541 42.059 -0.329 0.000 1.141 117 L HN 0.060 nan 8.230 nan 0.000 0.494 118 S N -0.721 114.944 115.700 -0.059 0.000 2.556 118 S HA 0.452 4.922 4.470 -0.001 0.000 0.280 118 S C -0.887 173.708 174.600 -0.008 0.000 1.141 118 S CA -1.078 57.108 58.200 -0.023 0.000 0.883 118 S CB 0.273 63.462 63.200 -0.018 0.000 1.103 118 S HN 0.406 nan 8.310 nan 0.000 0.453 119 V N 2.410 122.328 119.914 0.007 0.000 3.083 119 V HA 0.369 4.489 4.120 -0.001 0.000 0.303 119 V C 1.958 178.061 176.094 0.015 0.000 1.151 119 V CA 1.874 64.186 62.300 0.019 0.000 1.275 119 V CB -0.042 31.794 31.823 0.022 0.000 0.950 119 V HN 2.104 nan 8.190 nan 0.000 0.506 120 G N 2.984 111.798 108.800 0.023 0.000 2.383 120 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.229 120 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.229 120 G C 0.310 175.221 174.900 0.018 0.000 1.089 120 G CA 0.340 45.452 45.100 0.020 0.000 0.640 120 G HN 0.737 nan 8.290 nan 0.000 0.510 121 N N 1.110 119.816 118.700 0.009 0.000 2.265 121 N HA 0.308 5.047 4.740 -0.001 0.000 0.231 121 N C -0.163 175.357 175.510 0.017 0.000 1.266 121 N CA 1.220 54.271 53.050 0.001 0.000 0.862 121 N CB 0.199 38.671 38.487 -0.025 0.000 1.100 121 N HN 0.281 nan 8.380 nan 0.000 0.439 122 T N 1.166 115.727 114.554 0.013 0.000 2.795 122 T HA 0.349 4.699 4.350 -0.001 0.000 0.282 122 T C -0.302 174.413 174.700 0.026 0.000 0.980 122 T CA -0.559 61.559 62.100 0.029 0.000 1.012 122 T CB 1.193 70.077 68.868 0.027 0.000 0.936 122 T HN 0.053 nan 8.240 nan 0.000 0.457 123 V N 5.159 125.110 119.914 0.062 0.000 2.459 123 V HA 0.473 4.593 4.120 -0.001 0.000 0.295 123 V C -0.379 175.763 176.094 0.080 0.000 1.029 123 V CA -0.803 61.532 62.300 0.059 0.000 0.874 123 V CB 1.485 33.362 31.823 0.091 0.000 0.985 123 V HN 0.706 nan 8.190 nan 0.000 0.438 124 L N 5.702 126.958 121.223 0.056 0.000 2.295 124 L HA 0.559 4.898 4.340 -0.001 0.000 0.281 124 L C -0.476 176.430 176.870 0.060 0.000 1.018 124 L CA -0.553 54.321 54.840 0.056 0.000 0.841 124 L CB 1.654 43.736 42.059 0.038 0.000 1.218 124 L HN 0.358 nan 8.230 nan 0.000 0.424 125 V N 2.061 122.023 119.914 0.080 0.000 2.539 125 V HA 0.231 4.351 4.120 -0.001 0.000 0.292 125 V C 0.080 176.201 176.094 0.044 0.000 1.045 125 V CA -0.435 61.915 62.300 0.083 0.000 0.945 125 V CB 1.478 33.387 31.823 0.144 0.000 0.993 125 V HN 0.839 nan 8.190 nan 0.000 0.464 126 D N 3.876 124.299 120.400 0.039 0.000 4.028 126 D HA -0.182 4.457 4.640 -0.001 0.000 0.233 126 D C 0.473 176.783 176.300 0.017 0.000 1.080 126 D CA 0.756 54.770 54.000 0.023 0.000 1.181 126 D CB -0.511 40.298 40.800 0.016 0.000 0.815 126 D HN 0.886 nan 8.370 nan 0.000 0.401 127 D N 2.128 122.537 120.400 0.015 0.000 2.782 127 D HA -0.209 4.431 4.640 -0.001 0.000 0.230 127 D C 1.412 177.722 176.300 0.016 0.000 1.165 127 D CA 2.561 56.570 54.000 0.015 0.000 0.664 127 D CB -1.321 39.487 40.800 0.013 0.000 1.056 127 D HN 1.101 nan 8.370 nan 0.000 0.423 128 G N -1.273 107.539 108.800 0.020 0.000 2.195 128 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.246 128 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.246 128 G C 0.991 175.900 174.900 0.015 0.000 0.984 128 G CA 0.619 45.731 45.100 0.020 0.000 0.633 128 G HN 0.486 nan 8.290 nan 0.000 0.525 129 L N 0.486 121.715 121.223 0.011 0.000 2.021 129 L HA 0.200 4.540 4.340 -0.001 0.000 0.215 129 L C 1.119 177.988 176.870 -0.002 0.000 1.074 129 L CA 2.272 57.114 54.840 0.003 0.000 0.760 129 L CB -0.076 41.983 42.059 -0.000 0.000 0.889 129 L HN 0.481 nan 8.230 nan 0.000 0.433 130 I N -0.844 119.726 120.570 0.000 0.000 2.533 130 I HA 0.488 4.657 4.170 -0.001 0.000 0.290 130 I C 0.137 176.265 176.117 0.019 0.000 1.056 130 I CA -0.445 60.850 61.300 -0.009 0.000 1.057 130 I CB 1.663 39.637 38.000 -0.045 0.000 1.240 130 I HN 0.055 nan 8.210 nan 0.000 0.423 131 G N 5.702 114.514 108.800 0.021 0.000 2.441 131 G HA2 0.896 4.856 3.960 -0.001 0.000 0.334 131 G HA3 0.896 4.856 3.960 -0.001 0.000 0.334 131 G C -0.970 173.966 174.900 0.059 0.000 1.161 131 G CA -0.574 44.553 45.100 0.045 0.000 0.935 131 G HN 0.486 nan 8.290 nan 0.000 0.488 132 M N 0.200 119.857 119.600 0.096 0.000 2.471 132 M HA 0.297 4.777 4.480 -0.001 0.000 0.284 132 M C -0.968 175.405 176.300 0.121 0.000 1.203 132 M CA -0.589 54.787 55.300 0.126 0.000 0.915 132 M CB 3.226 35.963 32.600 0.228 0.000 1.734 132 M HN 0.625 nan 8.290 nan 0.000 0.485 133 E N 1.424 121.688 120.200 0.107 0.000 2.204 133 E HA 0.558 4.908 4.350 -0.001 0.000 0.276 133 E C -1.436 175.229 176.600 0.108 0.000 0.974 133 E CA -0.721 55.731 56.400 0.086 0.000 0.815 133 E CB 1.659 31.397 29.700 0.063 0.000 1.119 133 E HN 0.520 nan 8.360 nan 0.000 0.393 134 V N 4.836 124.804 119.914 0.090 0.000 2.389 134 V HA 0.028 4.148 4.120 -0.001 0.000 0.264 134 V C 1.331 177.470 176.094 0.075 0.000 1.049 134 V CA 0.354 62.715 62.300 0.101 0.000 0.932 134 V CB 0.588 32.452 31.823 0.069 0.000 1.011 134 V HN 0.965 nan 8.190 nan 0.000 0.475 135 T N 1.943 116.547 114.554 0.083 0.000 2.937 135 T HA 0.414 4.764 4.350 -0.001 0.000 0.260 135 T C 0.623 175.355 174.700 0.052 0.000 1.051 135 T CA 0.685 62.822 62.100 0.062 0.000 1.141 135 T CB 0.347 69.251 68.868 0.061 0.000 0.879 135 T HN 0.965 nan 8.240 nan 0.000 0.459 136 A N -0.000 122.857 122.820 0.062 0.000 2.599 136 A HA 0.763 5.082 4.320 -0.001 0.000 0.290 136 A C -1.868 175.755 177.584 0.064 0.000 1.101 136 A CA -1.065 51.002 52.037 0.051 0.000 0.674 136 A CB 1.037 20.062 19.000 0.043 0.000 1.277 136 A HN 0.374 nan 8.150 nan 0.000 0.419 137 I N 0.060 120.660 120.570 0.050 0.000 2.722 137 I HA 0.515 4.685 4.170 -0.001 0.000 0.292 137 I C -1.226 174.914 176.117 0.038 0.000 1.267 137 I CA -0.251 61.082 61.300 0.055 0.000 1.036 137 I CB 2.561 40.587 38.000 0.045 0.000 1.281 137 I HN 0.817 nan 8.210 nan 0.000 0.423 138 E N 3.295 123.518 120.200 0.037 0.000 2.422 138 E HA 0.486 4.836 4.350 -0.001 0.000 0.289 138 E C -0.205 176.408 176.600 0.022 0.000 0.985 138 E CA -0.464 55.950 56.400 0.024 0.000 0.812 138 E CB 2.277 31.988 29.700 0.019 0.000 1.226 138 E HN 0.918 nan 8.360 nan 0.000 0.419 139 G N 3.130 111.939 108.800 0.015 0.000 2.578 139 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.284 139 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.284 139 G C 0.398 175.308 174.900 0.018 0.000 1.283 139 G CA 0.544 45.651 45.100 0.010 0.000 0.944 139 G HN 0.793 nan 8.290 nan 0.000 0.558 140 N N 0.585 119.293 118.700 0.013 0.000 2.567 140 N HA 0.068 4.808 4.740 -0.001 0.000 0.195 140 N C 0.160 175.697 175.510 0.045 0.000 1.242 140 N CA 0.817 53.879 53.050 0.020 0.000 0.884 140 N CB 0.191 38.679 38.487 0.002 0.000 1.007 140 N HN 0.506 nan 8.380 nan 0.000 0.450 141 K N 0.672 121.101 120.400 0.048 0.000 2.211 141 K HA 0.338 4.657 4.320 -0.001 0.000 0.275 141 K C -0.704 175.965 176.600 0.116 0.000 1.024 141 K CA -0.777 55.549 56.287 0.065 0.000 0.887 141 K CB 2.226 34.740 32.500 0.024 0.000 1.084 141 K HN -0.151 nan 8.250 nan 0.000 0.463 142 V N 5.133 125.165 119.914 0.197 0.000 2.275 142 V HA 0.207 4.327 4.120 -0.001 0.000 0.272 142 V C 0.155 176.394 176.094 0.241 0.000 1.028 142 V CA -0.878 61.579 62.300 0.262 0.000 0.810 142 V CB 0.621 32.713 31.823 0.447 0.000 1.043 142 V HN 0.529 nan 8.190 nan 0.000 0.453 143 I N 4.007 124.666 120.570 0.148 0.000 2.496 143 I HA 0.333 4.503 4.170 -0.001 0.000 0.285 143 I C 0.319 176.529 176.117 0.156 0.000 1.080 143 I CA 0.334 61.703 61.300 0.115 0.000 1.404 143 I CB 0.672 38.713 38.000 0.068 0.000 1.403 143 I HN 0.557 nan 8.210 nan 0.000 0.539 144 C N 5.388 124.793 119.300 0.175 0.000 2.994 144 C HA 0.453 4.912 4.460 -0.001 0.000 0.304 144 C C 0.271 175.354 174.990 0.156 0.000 1.273 144 C CA -1.079 58.057 59.018 0.196 0.000 1.537 144 C CB 2.726 30.654 27.740 0.315 0.000 2.001 144 C HN 0.713 nan 8.230 nan 0.000 0.471 145 K N 1.163 121.640 120.400 0.127 0.000 2.185 145 K HA 0.626 4.946 4.320 -0.001 0.000 0.269 145 K C -1.074 175.584 176.600 0.097 0.000 0.987 145 K CA -0.237 56.106 56.287 0.094 0.000 0.865 145 K CB 1.163 33.703 32.500 0.067 0.000 1.090 145 K HN 0.556 nan 8.250 nan 0.000 0.450 146 V N 6.866 126.824 119.914 0.073 0.000 2.408 146 V HA 0.055 4.175 4.120 -0.001 0.000 0.267 146 V C 1.402 177.511 176.094 0.025 0.000 1.047 146 V CA -0.166 62.156 62.300 0.036 0.000 0.937 146 V CB 0.980 32.794 31.823 -0.015 0.000 0.999 146 V HN 0.823 nan 8.190 nan 0.000 0.472 147 L N 4.190 125.429 121.223 0.027 0.000 2.291 147 L HA 0.077 4.417 4.340 -0.001 0.000 0.214 147 L C 0.828 177.703 176.870 0.008 0.000 1.120 147 L CA 0.714 55.567 54.840 0.022 0.000 0.799 147 L CB -0.349 41.727 42.059 0.027 0.000 0.925 147 L HN 0.906 nan 8.230 nan 0.000 0.446 148 N N -2.053 116.645 118.700 -0.004 0.000 2.859 148 N HA 0.116 4.856 4.740 -0.001 0.000 0.250 148 N C -1.409 174.086 175.510 -0.025 0.000 1.341 148 N CA -0.708 52.336 53.050 -0.010 0.000 0.881 148 N CB 0.509 38.993 38.487 -0.006 0.000 1.516 148 N HN -0.234 nan 8.380 nan 0.000 0.503 149 N N -0.528 118.159 118.700 -0.021 0.000 2.492 149 N HA 0.547 5.287 4.740 -0.001 0.000 0.262 149 N C 0.264 175.752 175.510 -0.036 0.000 1.202 149 N CA 0.601 53.633 53.050 -0.030 0.000 0.926 149 N CB 0.829 39.304 38.487 -0.020 0.000 1.078 149 N HN 0.805 nan 8.380 nan 0.000 0.454 150 G N 0.509 109.278 108.800 -0.051 0.000 2.547 150 G HA2 0.246 4.206 3.960 -0.001 0.000 0.291 150 G HA3 0.246 4.206 3.960 -0.001 0.000 0.291 150 G C -1.901 172.960 174.900 -0.064 0.000 1.471 150 G CA -0.697 44.372 45.100 -0.051 0.000 0.798 150 G HN 0.323 nan 8.290 nan 0.000 0.504 151 D N 0.342 120.713 120.400 -0.048 0.000 2.232 151 D HA 0.441 5.081 4.640 -0.001 0.000 0.242 151 D C -0.236 176.036 176.300 -0.047 0.000 1.093 151 D CA -0.269 53.705 54.000 -0.044 0.000 0.845 151 D CB 2.281 43.066 40.800 -0.025 0.000 1.124 151 D HN 0.296 nan 8.370 nan 0.000 0.467 152 L N 2.681 123.870 121.223 -0.058 0.000 2.260 152 L HA 0.573 4.913 4.340 -0.001 0.000 0.289 152 L C 0.394 177.262 176.870 -0.004 0.000 1.057 152 L CA -0.080 54.734 54.840 -0.043 0.000 0.811 152 L CB 0.801 42.810 42.059 -0.083 0.000 1.184 152 L HN 0.359 nan 8.230 nan 0.000 0.429 153 G N 3.939 112.742 108.800 0.006 0.000 2.557 153 G HA2 0.432 4.392 3.960 -0.001 0.000 0.302 153 G HA3 0.432 4.392 3.960 -0.001 0.000 0.302 153 G C -0.763 174.152 174.900 0.025 0.000 1.311 153 G CA -0.624 44.483 45.100 0.012 0.000 1.030 153 G HN 0.656 nan 8.290 nan 0.000 0.509 154 E N -0.285 119.929 120.200 0.022 0.000 2.283 154 E HA 0.189 4.539 4.350 -0.001 0.000 0.267 154 E C -0.064 176.550 176.600 0.024 0.000 1.045 154 E CA -0.441 55.974 56.400 0.027 0.000 0.884 154 E CB 0.900 30.610 29.700 0.018 0.000 1.106 154 E HN 0.491 nan 8.360 nan 0.000 0.408 155 N N 1.672 120.388 118.700 0.027 0.000 2.758 155 N HA -0.141 4.598 4.740 -0.001 0.000 0.248 155 N C -1.365 174.158 175.510 0.022 0.000 1.076 155 N CA 0.547 53.609 53.050 0.019 0.000 0.696 155 N CB -0.550 37.944 38.487 0.011 0.000 0.979 155 N HN 0.260 nan 8.380 nan 0.000 0.550 156 K N 0.043 120.466 120.400 0.037 0.000 2.098 156 K HA 0.551 4.871 4.320 -0.001 0.000 0.261 156 K C 0.972 177.588 176.600 0.028 0.000 0.987 156 K CA -0.047 56.261 56.287 0.035 0.000 0.916 156 K CB 0.568 33.095 32.500 0.044 0.000 1.039 156 K HN 0.325 nan 8.250 nan 0.000 0.455 157 G N 0.747 109.555 108.800 0.013 0.000 2.378 157 G HA2 0.352 4.312 3.960 -0.001 0.000 0.255 157 G HA3 0.352 4.312 3.960 -0.001 0.000 0.255 157 G C -0.360 174.542 174.900 0.004 0.000 1.270 157 G CA -0.375 44.721 45.100 -0.006 0.000 0.876 157 G HN 0.217 nan 8.290 nan 0.000 0.521 158 V N 2.854 122.760 119.914 -0.012 0.000 2.667 158 V HA 0.533 4.653 4.120 -0.001 0.000 0.308 158 V C -0.422 175.668 176.094 -0.007 0.000 1.048 158 V CA -1.027 61.277 62.300 0.007 0.000 0.928 158 V CB 2.064 33.897 31.823 0.017 0.000 1.004 158 V HN 0.799 nan 8.190 nan 0.000 0.444 159 N N 2.590 121.298 118.700 0.012 0.000 2.369 159 N HA 0.655 5.394 4.740 -0.001 0.000 0.287 159 N C -1.397 174.122 175.510 0.015 0.000 1.067 159 N CA -0.608 52.447 53.050 0.009 0.000 0.888 159 N CB 1.940 40.443 38.487 0.028 0.000 1.616 159 N HN 0.614 nan 8.380 nan 0.000 0.482 160 L N 0.295 121.520 121.223 0.003 0.000 2.337 160 L HA 0.639 4.978 4.340 -0.001 0.000 0.269 160 L C -2.494 174.379 176.870 0.005 0.000 1.018 160 L CA -1.932 52.895 54.840 -0.022 0.000 0.876 160 L CB 0.706 42.706 42.059 -0.098 0.000 1.236 160 L HN 0.203 nan 8.230 nan 0.000 0.436 161 P HA 0.146 nan 4.420 nan 0.000 0.269 161 P C 1.139 178.446 177.300 0.011 0.000 1.209 161 P CA 0.707 63.821 63.100 0.023 0.000 0.776 161 P CB 1.229 32.943 31.700 0.023 0.000 0.876 162 G N 0.646 109.453 108.800 0.013 0.000 2.609 162 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.235 162 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.235 162 G C 0.262 175.162 174.900 0.000 0.000 1.177 162 G CA 0.323 45.425 45.100 0.004 0.000 0.707 162 G HN 0.604 nan 8.290 nan 0.000 0.513 163 V N 1.920 121.832 119.914 -0.003 0.000 2.928 163 V HA 0.324 4.444 4.120 -0.001 0.000 0.307 163 V C 0.981 177.078 176.094 0.004 0.000 1.105 163 V CA 1.094 63.389 62.300 -0.009 0.000 1.223 163 V CB 1.429 33.234 31.823 -0.030 0.000 0.930 163 V HN 0.523 nan 8.190 nan 0.000 0.499 164 S N 4.867 120.569 115.700 0.003 0.000 2.422 164 S HA 0.501 4.970 4.470 -0.001 0.000 0.298 164 S C -0.360 174.255 174.600 0.024 0.000 1.118 164 S CA -0.386 57.821 58.200 0.011 0.000 1.083 164 S CB 0.407 63.612 63.200 0.008 0.000 0.971 164 S HN 0.419 nan 8.310 nan 0.000 0.478 165 I N 2.925 123.519 120.570 0.040 0.000 2.315 165 I HA 0.275 4.444 4.170 -0.001 0.000 0.291 165 I C 1.108 177.249 176.117 0.040 0.000 1.006 165 I CA -0.357 60.958 61.300 0.024 0.000 1.265 165 I CB 0.987 38.981 38.000 -0.011 0.000 1.387 165 I HN 0.739 nan 8.210 nan 0.000 0.475 166 A N 7.120 129.991 122.820 0.086 0.000 2.264 166 A HA 0.109 4.429 4.320 -0.001 0.000 0.207 166 A C 0.994 178.648 177.584 0.117 0.000 1.196 166 A CA 0.231 52.341 52.037 0.123 0.000 0.778 166 A CB -0.841 18.261 19.000 0.169 0.000 0.779 166 A HN 0.635 nan 8.150 nan 0.000 0.483 167 L N 0.353 121.578 121.223 0.003 0.000 2.473 167 L HA 0.151 4.491 4.340 -0.001 0.000 0.268 167 L C -1.602 175.299 176.870 0.052 0.000 1.215 167 L CA -1.660 53.179 54.840 -0.001 0.000 0.823 167 L CB 0.047 42.017 42.059 -0.147 0.000 1.099 167 L HN 0.130 nan 8.230 nan 0.000 0.483 168 P HA 0.031 nan 4.420 nan 0.000 0.280 168 P C -0.219 177.111 177.300 0.049 0.000 1.278 168 P CA -0.156 62.975 63.100 0.051 0.000 0.787 168 P CB 0.552 32.281 31.700 0.047 0.000 1.163 169 A N -0.388 122.454 122.820 0.037 0.000 1.909 169 A HA 0.174 4.494 4.320 -0.001 0.000 0.209 169 A C 0.970 178.564 177.584 0.016 0.000 1.247 169 A CA 0.733 52.791 52.037 0.035 0.000 0.660 169 A CB -0.660 18.352 19.000 0.020 0.000 0.910 169 A HN 0.382 nan 8.150 nan 0.000 0.465 170 L N 0.360 121.574 121.223 -0.016 0.000 2.343 170 L HA 0.599 4.939 4.340 -0.001 0.000 0.275 170 L C 0.575 177.424 176.870 -0.035 0.000 1.056 170 L CA -0.832 53.976 54.840 -0.053 0.000 0.804 170 L CB 1.625 43.597 42.059 -0.146 0.000 1.203 170 L HN 0.380 nan 8.230 nan 0.000 0.440 171 A N 1.816 124.616 122.820 -0.035 0.000 2.296 171 A HA 0.220 4.539 4.320 -0.001 0.000 0.264 171 A C 0.869 178.441 177.584 -0.019 0.000 1.097 171 A CA -0.296 51.730 52.037 -0.017 0.000 0.811 171 A CB 0.422 19.415 19.000 -0.012 0.000 1.072 171 A HN 0.805 nan 8.150 nan 0.000 0.495 172 E N 0.123 120.325 120.200 0.003 0.000 2.072 172 E HA -0.107 4.243 4.350 -0.001 0.000 0.190 172 E C 2.100 178.713 176.600 0.022 0.000 0.982 172 E CA 1.429 57.839 56.400 0.016 0.000 0.803 172 E CB -0.323 29.394 29.700 0.029 0.000 0.755 172 E HN 0.539 nan 8.360 nan 0.000 0.453 173 K N 1.160 121.576 120.400 0.027 0.000 2.211 173 K HA -0.124 4.195 4.320 -0.001 0.000 0.203 173 K C 1.370 177.997 176.600 0.046 0.000 1.050 173 K CA 1.328 57.648 56.287 0.055 0.000 0.945 173 K CB -0.431 32.097 32.500 0.047 0.000 0.732 173 K HN 0.091 nan 8.250 nan 0.000 0.451 174 D N 0.843 121.243 120.400 -0.001 0.000 2.104 174 D HA -0.100 4.540 4.640 -0.001 0.000 0.194 174 D C 1.917 178.154 176.300 -0.105 0.000 0.994 174 D CA 1.643 55.617 54.000 -0.044 0.000 0.830 174 D CB -0.165 40.597 40.800 -0.063 0.000 0.959 174 D HN 0.482 nan 8.370 nan 0.000 0.452 175 K N 0.269 120.595 120.400 -0.124 0.000 2.063 175 K HA -0.155 4.165 4.320 -0.001 0.000 0.208 175 K C 2.095 178.686 176.600 -0.014 0.000 1.048 175 K CA 0.953 57.140 56.287 -0.167 0.000 0.928 175 K CB -0.033 32.443 32.500 -0.039 0.000 0.713 175 K HN 0.159 nan 8.250 nan 0.000 0.442 176 Q N 0.895 120.708 119.800 0.022 0.000 2.119 176 Q HA -0.127 4.213 4.340 -0.001 0.000 0.201 176 Q C 1.503 177.484 176.000 -0.032 0.000 0.972 176 Q CA 1.267 57.092 55.803 0.036 0.000 0.847 176 Q CB -0.196 28.629 28.738 0.145 0.000 0.903 176 Q HN 0.381 nan 8.270 nan 0.000 0.433 177 D N 0.557 120.957 120.400 -0.000 0.000 2.183 177 D HA -0.035 4.605 4.640 -0.001 0.000 0.203 177 D C 2.100 178.244 176.300 -0.260 0.000 0.969 177 D CA 0.458 54.368 54.000 -0.151 0.000 0.842 177 D CB 0.062 40.702 40.800 -0.267 0.000 0.957 177 D HN 0.208 nan 8.370 nan 0.000 0.484 178 L N 0.469 121.586 121.223 -0.177 0.000 2.093 178 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 178 L C 2.505 179.305 176.870 -0.117 0.000 1.085 178 L CA 0.701 55.458 54.840 -0.137 0.000 0.755 178 L CB -0.327 41.682 42.059 -0.084 0.000 0.904 178 L HN 0.004 nan 8.230 nan 0.000 0.435 179 I N -0.529 119.960 120.570 -0.134 0.000 2.226 179 I HA -0.339 3.831 4.170 -0.001 0.000 0.245 179 I C 2.560 178.597 176.117 -0.133 0.000 1.100 179 I CA 1.467 62.652 61.300 -0.192 0.000 1.374 179 I CB -0.352 37.498 38.000 -0.250 0.000 1.057 179 I HN 0.158 nan 8.210 nan 0.000 0.413 180 F N 1.957 121.715 119.950 -0.320 0.000 2.161 180 F HA -0.171 4.355 4.527 -0.000 0.000 0.300 180 F C 2.257 177.930 175.800 -0.211 0.000 1.089 180 F CA 1.653 59.463 58.000 -0.317 0.000 1.282 180 F CB -0.679 37.987 39.000 -0.556 0.000 1.010 180 F HN -0.006 nan 8.300 nan 0.000 0.485 181 G N -0.181 108.506 108.800 -0.187 0.000 2.459 181 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.217 181 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.217 181 G C 1.740 176.518 174.900 -0.202 0.000 1.183 181 G CA 1.180 46.153 45.100 -0.212 0.000 0.776 181 G HN 0.525 nan 8.290 nan 0.000 0.552 182 C N 0.738 119.951 119.300 -0.145 0.000 2.413 182 C HA -0.039 4.420 4.460 -0.001 0.000 0.276 182 C C 2.873 177.784 174.990 -0.131 0.000 1.236 182 C CA 1.307 60.265 59.018 -0.099 0.000 1.735 182 C CB -1.027 26.688 27.740 -0.042 0.000 2.031 182 C HN 0.627 nan 8.230 nan 0.000 0.474 183 E N 0.182 120.274 120.200 -0.180 0.000 2.047 183 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 183 E C 2.248 178.706 176.600 -0.236 0.000 0.987 183 E CA 0.889 57.178 56.400 -0.186 0.000 0.799 183 E CB -0.288 29.303 29.700 -0.182 0.000 0.752 183 E HN 0.597 nan 8.360 nan 0.000 0.449 184 Q N -0.146 119.423 119.800 -0.384 0.000 2.436 184 Q HA -0.002 4.338 4.340 -0.001 0.000 0.209 184 Q C 0.847 176.722 176.000 -0.208 0.000 0.965 184 Q CA 0.955 56.556 55.803 -0.338 0.000 0.910 184 Q CB 0.203 28.643 28.738 -0.497 0.000 0.980 184 Q HN 0.419 nan 8.270 nan 0.000 0.491 185 G N 1.651 110.343 108.800 -0.180 0.000 2.385 185 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.294 185 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.294 185 G C 0.236 175.060 174.900 -0.127 0.000 1.070 185 G CA 0.332 45.353 45.100 -0.132 0.000 1.172 185 G HN 0.289 nan 8.290 nan 0.000 0.516 186 V N -2.222 117.619 119.914 -0.122 0.000 2.904 186 V HA 0.621 4.740 4.120 -0.001 0.000 0.305 186 V C 1.186 177.206 176.094 -0.124 0.000 1.067 186 V CA 0.079 62.324 62.300 -0.091 0.000 1.044 186 V CB 1.525 33.325 31.823 -0.038 0.000 1.050 186 V HN 0.162 nan 8.190 nan 0.000 0.475 187 D N 0.952 121.269 120.400 -0.138 0.000 2.149 187 D HA 0.123 4.762 4.640 -0.001 0.000 0.201 187 D C 0.019 175.984 176.300 -0.558 0.000 0.972 187 D CA 1.818 55.624 54.000 -0.323 0.000 0.835 187 D CB 0.037 40.704 40.800 -0.220 0.000 0.966 187 D HN 0.569 nan 8.370 nan 0.000 0.476 188 F N -1.038 118.897 119.950 -0.025 0.000 2.645 188 F HA 0.388 4.914 4.527 -0.001 0.000 0.310 188 F C -0.608 175.196 175.800 0.005 0.000 1.102 188 F CA -1.100 56.903 58.000 0.005 0.000 0.952 188 F CB 2.094 41.114 39.000 0.035 0.000 1.326 188 F HN -0.472 nan 8.300 nan 0.000 0.456 189 V N 1.791 121.845 119.914 0.233 0.000 2.483 189 V HA 0.727 4.847 4.120 -0.001 0.000 0.297 189 V C -0.691 175.478 176.094 0.126 0.000 1.027 189 V CA -0.912 61.460 62.300 0.121 0.000 0.855 189 V CB 1.611 33.468 31.823 0.056 0.000 0.995 189 V HN 0.874 nan 8.190 nan 0.000 0.424 190 A N 4.273 127.150 122.820 0.094 0.000 2.294 190 A HA 0.831 5.151 4.320 -0.001 0.000 0.316 190 A C 0.483 178.099 177.584 0.053 0.000 1.359 190 A CA -0.084 51.995 52.037 0.070 0.000 0.956 190 A CB 0.447 19.478 19.000 0.052 0.000 1.155 190 A HN 1.259 nan 8.150 nan 0.000 0.544 191 A N 2.709 125.555 122.820 0.044 0.000 2.371 191 A HA 0.600 4.920 4.320 -0.001 0.000 0.257 191 A C 0.651 178.264 177.584 0.047 0.000 1.089 191 A CA -0.124 51.934 52.037 0.034 0.000 0.794 191 A CB 0.173 19.185 19.000 0.021 0.000 1.029 191 A HN 0.784 nan 8.150 nan 0.000 0.488 192 S N 0.310 116.047 115.700 0.063 0.000 2.578 192 S HA 0.490 4.960 4.470 -0.001 0.000 0.283 192 S C -0.039 174.668 174.600 0.178 0.000 1.195 192 S CA -0.183 58.081 58.200 0.106 0.000 1.050 192 S CB 0.229 63.490 63.200 0.102 0.000 1.012 192 S HN 1.215 nan 8.310 nan 0.000 0.511 193 F N 1.456 121.404 119.950 -0.004 0.000 3.079 193 F HA -0.177 4.349 4.527 -0.000 0.000 0.274 193 F C -0.177 175.617 175.800 -0.010 0.000 0.940 193 F CA -0.102 57.892 58.000 -0.010 0.000 0.932 193 F CB -1.032 37.954 39.000 -0.023 0.000 0.891 193 F HN 0.470 nan 8.300 nan 0.000 0.722 194 I N 2.064 122.573 120.570 -0.102 0.000 2.849 194 I HA -0.127 4.043 4.170 -0.001 0.000 0.288 194 I C 1.453 177.435 176.117 -0.225 0.000 1.156 194 I CA 0.728 61.954 61.300 -0.123 0.000 1.394 194 I CB 0.016 37.975 38.000 -0.069 0.000 1.462 194 I HN 0.257 nan 8.210 nan 0.000 0.587 195 R N 5.185 125.544 120.500 -0.236 0.000 2.276 195 R HA 0.096 4.435 4.340 -0.001 0.000 0.196 195 R C 0.090 176.319 176.300 -0.119 0.000 0.961 195 R CA 0.357 56.321 56.100 -0.226 0.000 1.024 195 R CB 0.097 30.262 30.300 -0.225 0.000 0.940 195 R HN 0.632 nan 8.270 nan 0.000 0.480 196 K N -2.050 118.301 120.400 -0.082 0.000 2.610 196 K HA 0.261 4.581 4.320 -0.001 0.000 0.278 196 K C -0.373 176.197 176.600 -0.049 0.000 0.964 196 K CA -0.896 55.358 56.287 -0.055 0.000 0.859 196 K CB 1.130 33.608 32.500 -0.037 0.000 1.434 196 K HN -0.234 nan 8.250 nan 0.000 0.410 197 R N 1.004 121.475 120.500 -0.048 0.000 2.153 197 R HA -0.233 4.107 4.340 -0.001 0.000 0.252 197 R C 1.768 178.049 176.300 -0.031 0.000 1.158 197 R CA 2.970 59.041 56.100 -0.047 0.000 0.975 197 R CB -0.451 29.824 30.300 -0.042 0.000 0.871 197 R HN 0.831 nan 8.270 nan 0.000 0.450 198 S N 0.343 116.030 115.700 -0.021 0.000 2.382 198 S HA -0.143 4.327 4.470 -0.001 0.000 0.228 198 S C 1.328 175.925 174.600 -0.005 0.000 1.027 198 S CA 1.480 59.675 58.200 -0.008 0.000 0.991 198 S CB -0.266 62.934 63.200 -0.001 0.000 0.823 198 S HN 0.320 nan 8.310 nan 0.000 0.469 199 D N 1.674 122.067 120.400 -0.011 0.000 2.149 199 D HA -0.056 4.583 4.640 -0.001 0.000 0.198 199 D C 2.059 178.354 176.300 -0.008 0.000 0.990 199 D CA 1.038 55.034 54.000 -0.006 0.000 0.839 199 D CB -0.700 40.092 40.800 -0.015 0.000 0.948 199 D HN 0.380 nan 8.370 nan 0.000 0.460 200 V N 1.287 121.190 119.914 -0.019 0.000 2.358 200 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 200 V C 2.371 178.464 176.094 -0.001 0.000 1.047 200 V CA 0.900 63.190 62.300 -0.016 0.000 1.035 200 V CB -0.238 31.564 31.823 -0.035 0.000 0.658 200 V HN 0.155 nan 8.190 nan 0.000 0.452 201 I N 0.302 120.871 120.570 -0.002 0.000 2.179 201 I HA -0.217 3.952 4.170 -0.001 0.000 0.242 201 I C 2.535 178.667 176.117 0.026 0.000 1.088 201 I CA 1.539 62.845 61.300 0.009 0.000 1.357 201 I CB -1.447 36.556 38.000 0.004 0.000 1.051 201 I HN 0.469 nan 8.210 nan 0.000 0.409 202 E N 0.757 120.973 120.200 0.027 0.000 2.097 202 E HA -0.226 4.123 4.350 -0.001 0.000 0.196 202 E C 2.335 178.972 176.600 0.062 0.000 1.000 202 E CA 1.318 57.745 56.400 0.045 0.000 0.804 202 E CB -0.197 29.523 29.700 0.033 0.000 0.740 202 E HN 0.483 nan 8.360 nan 0.000 0.454 203 I N 0.654 121.246 120.570 0.036 0.000 2.315 203 I HA -0.238 3.932 4.170 -0.001 0.000 0.248 203 I C 2.641 178.811 176.117 0.088 0.000 1.117 203 I CA 0.800 62.126 61.300 0.044 0.000 1.404 203 I CB -0.168 37.839 38.000 0.012 0.000 1.071 203 I HN 0.005 nan 8.210 nan 0.000 0.419 204 R N 1.570 122.108 120.500 0.063 0.000 2.073 204 R HA -0.175 4.165 4.340 -0.001 0.000 0.234 204 R C 2.043 178.387 176.300 0.074 0.000 1.134 204 R CA 1.696 57.831 56.100 0.058 0.000 0.952 204 R CB -0.371 29.950 30.300 0.035 0.000 0.850 204 R HN 0.327 nan 8.270 nan 0.000 0.433 205 E N -1.463 118.783 120.200 0.076 0.000 2.118 205 E HA -0.264 4.086 4.350 -0.001 0.000 0.195 205 E C 1.820 178.481 176.600 0.101 0.000 0.992 205 E CA 1.667 58.110 56.400 0.072 0.000 0.804 205 E CB -0.203 29.535 29.700 0.063 0.000 0.741 205 E HN 0.531 nan 8.360 nan 0.000 0.458 206 H N 0.092 119.191 119.070 0.049 0.000 2.403 206 H HA 0.057 4.612 4.556 -0.001 0.000 0.298 206 H C 1.900 177.297 175.328 0.115 0.000 1.059 206 H CA 0.984 57.081 56.048 0.082 0.000 1.363 206 H CB 0.163 29.944 29.762 0.032 0.000 1.410 206 H HN 0.030 nan 8.280 nan 0.000 0.528 207 L N 0.040 121.380 121.223 0.194 0.000 2.156 207 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 207 L C 2.450 179.369 176.870 0.081 0.000 1.095 207 L CA 1.122 56.038 54.840 0.127 0.000 0.770 207 L CB -0.280 41.830 42.059 0.085 0.000 0.914 207 L HN 0.241 nan 8.230 nan 0.000 0.439 208 K N 0.962 121.394 120.400 0.053 0.000 2.103 208 K HA -0.075 4.245 4.320 -0.001 0.000 0.204 208 K C 1.895 178.479 176.600 -0.027 0.000 1.052 208 K CA 1.003 57.296 56.287 0.010 0.000 0.945 208 K CB -0.019 32.481 32.500 0.001 0.000 0.722 208 K HN 0.229 nan 8.250 nan 0.000 0.443 209 A N 0.414 123.210 122.820 -0.039 0.000 2.277 209 A HA -0.106 4.214 4.320 -0.001 0.000 0.208 209 A C -0.091 177.176 177.584 -0.530 0.000 1.202 209 A CA 1.054 52.966 52.037 -0.208 0.000 0.762 209 A CB -0.510 18.360 19.000 -0.216 0.000 0.770 209 A HN 0.496 nan 8.150 nan 0.000 0.487 210 H N -3.111 115.893 119.070 -0.110 0.000 3.346 210 H HA 0.363 4.919 4.556 -0.000 0.000 0.253 210 H C 1.085 176.368 175.328 -0.074 0.000 1.204 210 H CA -0.028 55.963 56.048 -0.096 0.000 0.996 210 H CB 0.161 29.858 29.762 -0.109 0.000 2.713 210 H HN 0.461 nan 8.280 nan 0.000 0.690 211 G N 0.126 108.931 108.800 0.008 0.000 2.195 211 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.246 211 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.246 211 G C 1.388 176.279 174.900 -0.014 0.000 0.984 211 G CA 0.150 45.242 45.100 -0.012 0.000 0.633 211 G HN 0.656 nan 8.290 nan 0.000 0.525 212 G N 0.946 109.750 108.800 0.006 0.000 3.234 212 G HA2 0.335 4.294 3.960 -0.001 0.000 0.221 212 G HA3 0.335 4.294 3.960 -0.001 0.000 0.221 212 G C 1.331 176.225 174.900 -0.009 0.000 1.229 212 G CA 1.209 46.305 45.100 -0.006 0.000 0.909 212 G HN 0.752 nan 8.290 nan 0.000 0.510 213 E N 1.241 121.432 120.200 -0.015 0.000 2.110 213 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 213 E C 1.084 177.675 176.600 -0.016 0.000 0.988 213 E CA 0.838 57.232 56.400 -0.010 0.000 0.804 213 E CB -0.437 29.256 29.700 -0.013 0.000 0.745 213 E HN 0.316 nan 8.360 nan 0.000 0.458 214 N N 0.772 119.444 118.700 -0.046 0.000 2.398 214 N HA 0.141 4.881 4.740 -0.001 0.000 0.188 214 N C 0.341 175.754 175.510 -0.162 0.000 1.122 214 N CA 0.068 53.068 53.050 -0.083 0.000 0.866 214 N CB 0.330 38.757 38.487 -0.100 0.000 0.970 214 N HN 0.253 nan 8.380 nan 0.000 0.462 215 I N 1.469 121.966 120.570 -0.121 0.000 2.533 215 I HA -0.042 4.128 4.170 -0.001 0.000 0.284 215 I C 0.482 176.526 176.117 -0.121 0.000 1.109 215 I CA 0.013 61.209 61.300 -0.174 0.000 1.412 215 I CB 0.282 38.226 38.000 -0.093 0.000 1.396 215 I HN -0.007 nan 8.210 nan 0.000 0.543 216 H N 6.172 125.121 119.070 -0.203 0.000 2.525 216 H HA 0.411 4.966 4.556 -0.001 0.000 0.339 216 H C -0.295 175.106 175.328 0.121 0.000 1.109 216 H CA -0.719 55.314 56.048 -0.026 0.000 1.352 216 H CB 1.147 30.965 29.762 0.092 0.000 1.461 216 H HN 0.432 nan 8.280 nan 0.000 0.533 217 I N 4.439 125.167 120.570 0.263 0.000 2.297 217 I HA 0.099 4.268 4.170 -0.001 0.000 0.291 217 I C -0.365 175.845 176.117 0.154 0.000 1.033 217 I CA -0.367 61.036 61.300 0.171 0.000 1.253 217 I CB 0.690 38.742 38.000 0.086 0.000 1.396 217 I HN 0.389 nan 8.210 nan 0.000 0.476 218 I N 5.427 126.094 120.570 0.162 0.000 2.304 218 I HA 0.187 4.357 4.170 -0.001 0.000 0.291 218 I C 0.354 176.498 176.117 0.045 0.000 1.018 218 I CA 0.011 61.362 61.300 0.086 0.000 1.260 218 I CB 1.119 39.148 38.000 0.048 0.000 1.390 218 I HN 0.465 nan 8.210 nan 0.000 0.475 219 S N 6.723 122.434 115.700 0.017 0.000 2.452 219 S HA 0.281 4.750 4.470 -0.001 0.000 0.284 219 S C 0.159 174.770 174.600 0.018 0.000 1.171 219 S CA -0.724 57.480 58.200 0.007 0.000 1.064 219 S CB 0.665 63.847 63.200 -0.029 0.000 0.967 219 S HN 0.382 nan 8.310 nan 0.000 0.484 220 K N 3.009 123.423 120.400 0.024 0.000 2.349 220 K HA 0.244 4.564 4.320 -0.001 0.000 0.289 220 K C -0.493 176.118 176.600 0.019 0.000 1.064 220 K CA -0.241 56.066 56.287 0.034 0.000 0.947 220 K CB 0.281 32.810 32.500 0.049 0.000 1.007 220 K HN 0.409 nan 8.250 nan 0.000 0.478 221 I N 3.863 124.455 120.570 0.036 0.000 2.312 221 I HA 0.052 4.222 4.170 -0.001 0.000 0.291 221 I C 0.582 176.703 176.117 0.007 0.000 1.031 221 I CA 0.238 61.551 61.300 0.021 0.000 1.293 221 I CB 0.686 38.740 38.000 0.091 0.000 1.403 221 I HN 0.734 nan 8.210 nan 0.000 0.484 222 E N 5.230 125.410 120.200 -0.034 0.000 2.759 222 E HA 0.140 4.490 4.350 -0.001 0.000 0.220 222 E C -0.349 176.253 176.600 0.002 0.000 0.974 222 E CA -0.234 56.179 56.400 0.023 0.000 1.148 222 E CB 0.622 30.409 29.700 0.144 0.000 1.059 222 E HN 0.752 nan 8.360 nan 0.000 0.493 223 N N -0.537 118.118 118.700 -0.076 0.000 3.261 223 N HA -0.048 4.692 4.740 -0.001 0.000 0.248 223 N C 0.381 175.858 175.510 -0.054 0.000 1.498 223 N CA -0.499 52.522 53.050 -0.048 0.000 0.884 223 N CB 1.012 39.447 38.487 -0.087 0.000 1.428 223 N HN -0.185 nan 8.380 nan 0.000 0.517 224 Q N 0.513 120.298 119.800 -0.025 0.000 2.061 224 Q HA -0.126 4.214 4.340 -0.001 0.000 0.204 224 Q C 1.605 177.584 176.000 -0.035 0.000 0.984 224 Q CA 2.489 58.279 55.803 -0.021 0.000 0.846 224 Q CB -0.243 28.492 28.738 -0.005 0.000 0.902 224 Q HN 0.762 nan 8.270 nan 0.000 0.421 225 E N -1.593 118.572 120.200 -0.058 0.000 2.153 225 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 225 E C 1.687 178.242 176.600 -0.076 0.000 0.988 225 E CA 1.174 57.535 56.400 -0.064 0.000 0.811 225 E CB -0.430 29.223 29.700 -0.079 0.000 0.746 225 E HN 0.509 nan 8.360 nan 0.000 0.466 226 G N 0.958 109.687 108.800 -0.117 0.000 2.408 226 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.215 226 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.215 226 G C 1.445 176.357 174.900 0.020 0.000 1.156 226 G CA 0.499 45.547 45.100 -0.086 0.000 0.793 226 G HN 0.257 nan 8.290 nan 0.000 0.535 227 L N 1.782 123.011 121.223 0.009 0.000 1.989 227 L HA -0.085 4.255 4.340 -0.001 0.000 0.211 227 L C 2.275 179.184 176.870 0.065 0.000 1.071 227 L CA 1.894 56.758 54.840 0.040 0.000 0.749 227 L CB -0.725 41.330 42.059 -0.006 0.000 0.890 227 L HN 0.120 nan 8.230 nan 0.000 0.431 228 N N 0.032 118.750 118.700 0.030 0.000 2.289 228 N HA -0.132 4.608 4.740 -0.001 0.000 0.184 228 N C 0.805 176.345 175.510 0.051 0.000 1.016 228 N CA 1.050 54.119 53.050 0.032 0.000 0.872 228 N CB -0.524 37.969 38.487 0.010 0.000 0.973 228 N HN 0.454 nan 8.380 nan 0.000 0.433 229 N N 0.090 118.819 118.700 0.048 0.000 2.279 229 N HA 0.055 4.794 4.740 -0.001 0.000 0.226 229 N C 0.864 176.408 175.510 0.058 0.000 1.126 229 N CA -0.294 52.775 53.050 0.031 0.000 0.846 229 N CB -0.299 38.181 38.487 -0.010 0.000 1.050 229 N HN 0.164 nan 8.380 nan 0.000 0.502 230 F N 2.121 122.051 119.950 -0.034 0.000 2.115 230 F HA -0.277 4.249 4.527 -0.001 0.000 0.300 230 F C 1.529 177.314 175.800 -0.024 0.000 1.092 230 F CA 1.725 59.707 58.000 -0.030 0.000 1.245 230 F CB 0.239 39.224 39.000 -0.024 0.000 0.995 230 F HN -0.011 nan 8.300 nan 0.000 0.481 231 D N 0.408 120.853 120.400 0.075 0.000 2.103 231 D HA -0.264 4.375 4.640 -0.001 0.000 0.190 231 D C 2.196 178.408 176.300 -0.147 0.000 0.997 231 D CA 1.992 55.976 54.000 -0.027 0.000 0.833 231 D CB -0.824 40.008 40.800 0.054 0.000 0.961 231 D HN 0.684 nan 8.370 nan 0.000 0.447 232 E N 0.771 120.913 120.200 -0.097 0.000 2.077 232 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 232 E C 2.387 178.891 176.600 -0.159 0.000 0.989 232 E CA 0.793 57.131 56.400 -0.102 0.000 0.800 232 E CB -0.553 29.110 29.700 -0.062 0.000 0.746 232 E HN 0.273 nan 8.360 nan 0.000 0.452 233 I N 0.892 121.337 120.570 -0.208 0.000 2.127 233 I HA -0.264 3.905 4.170 -0.001 0.000 0.241 233 I C 2.654 178.581 176.117 -0.316 0.000 1.075 233 I CA 0.959 62.119 61.300 -0.233 0.000 1.334 233 I CB -0.302 37.560 38.000 -0.230 0.000 1.040 233 I HN 0.169 nan 8.210 nan 0.000 0.405 234 L N 0.759 121.644 121.223 -0.564 0.000 2.081 234 L HA -0.248 4.092 4.340 -0.001 0.000 0.212 234 L C 2.441 179.155 176.870 -0.260 0.000 1.080 234 L CA 1.920 56.449 54.840 -0.517 0.000 0.754 234 L CB -0.770 40.836 42.059 -0.756 0.000 0.893 234 L HN 0.237 nan 8.230 nan 0.000 0.433 235 E N 0.195 120.271 120.200 -0.207 0.000 2.023 235 E HA -0.227 4.123 4.350 -0.001 0.000 0.196 235 E C 2.032 178.569 176.600 -0.105 0.000 1.003 235 E CA 1.687 58.012 56.400 -0.125 0.000 0.809 235 E CB -0.326 29.316 29.700 -0.098 0.000 0.755 235 E HN 0.590 nan 8.360 nan 0.000 0.449 236 A N 0.502 123.260 122.820 -0.103 0.000 2.119 236 A HA 0.024 4.344 4.320 -0.001 0.000 0.217 236 A C 1.449 178.989 177.584 -0.074 0.000 1.153 236 A CA 0.535 52.526 52.037 -0.076 0.000 0.692 236 A CB -0.018 18.943 19.000 -0.065 0.000 0.799 236 A HN 0.178 nan 8.150 nan 0.000 0.458 237 S N -0.200 115.442 115.700 -0.097 0.000 2.707 237 S HA 0.299 4.769 4.470 -0.001 0.000 0.276 237 S C 0.097 174.641 174.600 -0.092 0.000 1.179 237 S CA -0.496 57.659 58.200 -0.075 0.000 0.992 237 S CB 0.844 63.993 63.200 -0.085 0.000 1.030 237 S HN 0.384 nan 8.310 nan 0.000 0.554 238 D N 0.087 120.437 120.400 -0.083 0.000 2.367 238 D HA 0.302 4.942 4.640 -0.001 0.000 0.207 238 D C 0.776 177.017 176.300 -0.099 0.000 1.034 238 D CA 0.464 54.355 54.000 -0.180 0.000 0.861 238 D CB 0.661 41.290 40.800 -0.284 0.000 0.943 238 D HN 0.644 nan 8.370 nan 0.000 0.515 239 G N -0.112 108.667 108.800 -0.035 0.000 2.341 239 G HA2 0.447 4.407 3.960 -0.001 0.000 0.299 239 G HA3 0.447 4.407 3.960 -0.001 0.000 0.299 239 G C -1.863 173.034 174.900 -0.006 0.000 1.274 239 G CA -0.540 44.553 45.100 -0.012 0.000 0.853 239 G HN -0.063 nan 8.290 nan 0.000 0.493 240 I N -0.045 120.531 120.570 0.010 0.000 2.984 240 I HA 0.541 4.710 4.170 -0.001 0.000 0.303 240 I C -0.870 175.265 176.117 0.030 0.000 1.381 240 I CA -0.640 60.683 61.300 0.038 0.000 0.988 240 I CB 2.167 40.236 38.000 0.115 0.000 1.307 240 I HN 0.758 nan 8.210 nan 0.000 0.460 241 M N 4.554 124.177 119.600 0.039 0.000 2.142 241 M HA 0.484 4.963 4.480 -0.001 0.000 0.299 241 M C -1.595 174.728 176.300 0.039 0.000 0.960 241 M CA -0.641 54.672 55.300 0.022 0.000 0.920 241 M CB 1.501 34.108 32.600 0.012 0.000 1.541 241 M HN 0.262 nan 8.290 nan 0.000 0.429 242 V N 4.855 124.786 119.914 0.030 0.000 2.415 242 V HA 0.350 4.470 4.120 -0.001 0.000 0.267 242 V C 0.517 176.621 176.094 0.017 0.000 1.042 242 V CA -0.268 62.045 62.300 0.022 0.000 1.000 242 V CB 0.322 32.150 31.823 0.007 0.000 1.015 242 V HN 0.858 nan 8.190 nan 0.000 0.478 243 A N 6.388 129.221 122.820 0.023 0.000 2.582 243 A HA 0.428 4.747 4.320 -0.001 0.000 0.336 243 A C 1.387 178.982 177.584 0.020 0.000 1.445 243 A CA -0.548 51.505 52.037 0.026 0.000 0.997 243 A CB 0.021 19.046 19.000 0.042 0.000 1.148 243 A HN 0.728 nan 8.150 nan 0.000 0.514 244 R N 1.908 122.414 120.500 0.010 0.000 2.080 244 R HA -0.156 4.184 4.340 -0.001 0.000 0.236 244 R C 2.321 178.625 176.300 0.008 0.000 1.137 244 R CA 1.946 58.047 56.100 0.001 0.000 0.943 244 R CB -0.795 29.499 30.300 -0.009 0.000 0.846 244 R HN 0.743 nan 8.270 nan 0.000 0.431 245 G N 1.746 110.554 108.800 0.013 0.000 2.459 245 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 245 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 245 G C 1.055 175.971 174.900 0.027 0.000 1.183 245 G CA 1.021 46.131 45.100 0.017 0.000 0.776 245 G HN 0.310 nan 8.290 nan 0.000 0.552 246 D N 0.395 120.819 120.400 0.039 0.000 2.133 246 D HA -0.103 4.536 4.640 -0.001 0.000 0.195 246 D C 2.579 178.914 176.300 0.060 0.000 0.997 246 D CA 0.698 54.733 54.000 0.060 0.000 0.840 246 D CB -0.110 40.739 40.800 0.082 0.000 0.947 246 D HN 0.277 nan 8.370 nan 0.000 0.452 247 L N 0.777 122.026 121.223 0.042 0.000 2.027 247 L HA -0.074 4.266 4.340 -0.001 0.000 0.206 247 L C 2.696 179.580 176.870 0.025 0.000 1.074 247 L CA 1.228 56.087 54.840 0.031 0.000 0.745 247 L CB -0.697 41.370 42.059 0.013 0.000 0.898 247 L HN 0.074 nan 8.230 nan 0.000 0.433 248 G N -0.633 108.177 108.800 0.017 0.000 2.517 248 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.222 248 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.222 248 G C 1.481 176.392 174.900 0.018 0.000 1.109 248 G CA 1.123 46.230 45.100 0.012 0.000 0.746 248 G HN 0.274 nan 8.290 nan 0.000 0.576 249 V N 0.318 120.248 119.914 0.027 0.000 2.649 249 V HA -0.038 4.081 4.120 -0.001 0.000 0.248 249 V C 2.461 178.576 176.094 0.036 0.000 1.054 249 V CA 1.697 64.016 62.300 0.030 0.000 1.073 249 V CB -0.136 31.708 31.823 0.036 0.000 0.699 249 V HN 0.446 nan 8.190 nan 0.000 0.463 250 E N 0.441 120.668 120.200 0.044 0.000 2.318 250 E HA 0.184 4.534 4.350 -0.001 0.000 0.193 250 E C 0.655 177.274 176.600 0.032 0.000 0.998 250 E CA 0.521 56.949 56.400 0.046 0.000 0.859 250 E CB 0.446 30.189 29.700 0.071 0.000 0.812 250 E HN 0.725 nan 8.360 nan 0.000 0.492 251 I N -2.644 117.941 120.570 0.024 0.000 3.322 251 I HA 0.524 4.694 4.170 -0.001 0.000 0.313 251 I C -2.760 173.369 176.117 0.019 0.000 1.129 251 I CA -3.145 58.167 61.300 0.020 0.000 0.963 251 I CB 1.190 39.199 38.000 0.016 0.000 1.273 251 I HN -0.394 nan 8.210 nan 0.000 0.473 252 P HA 0.040 nan 4.420 nan 0.000 0.265 252 P C 1.120 178.433 177.300 0.023 0.000 1.193 252 P CA -0.269 62.844 63.100 0.022 0.000 0.765 252 P CB 0.798 32.514 31.700 0.027 0.000 0.823 253 V N 2.376 122.300 119.914 0.017 0.000 2.282 253 V HA -0.273 3.847 4.120 -0.001 0.000 0.249 253 V C 1.839 177.939 176.094 0.012 0.000 1.057 253 V CA 2.152 64.457 62.300 0.008 0.000 1.032 253 V CB -1.455 30.371 31.823 0.005 0.000 0.645 253 V HN 0.636 nan 8.190 nan 0.000 0.447 254 E N 0.540 120.761 120.200 0.035 0.000 2.463 254 E HA -0.221 4.129 4.350 -0.001 0.000 0.201 254 E C 1.646 178.331 176.600 0.140 0.000 1.045 254 E CA 1.421 57.864 56.400 0.071 0.000 0.872 254 E CB -0.291 29.465 29.700 0.093 0.000 0.797 254 E HN 0.741 nan 8.360 nan 0.000 0.538 255 E N 0.798 121.058 120.200 0.100 0.000 2.162 255 E HA 0.010 4.360 4.350 -0.001 0.000 0.193 255 E C 2.455 179.097 176.600 0.070 0.000 0.953 255 E CA 0.814 57.288 56.400 0.125 0.000 0.849 255 E CB -0.313 29.429 29.700 0.071 0.000 0.810 255 E HN 0.161 nan 8.360 nan 0.000 0.470 256 V N 2.121 122.041 119.914 0.009 0.000 2.250 256 V HA -0.289 3.831 4.120 -0.001 0.000 0.253 256 V C 2.492 178.542 176.094 -0.073 0.000 1.065 256 V CA 2.035 64.319 62.300 -0.027 0.000 1.039 256 V CB -0.624 31.180 31.823 -0.032 0.000 0.647 256 V HN 0.159 nan 8.190 nan 0.000 0.446 257 I N -1.012 119.458 120.570 -0.167 0.000 2.493 257 I HA -0.144 4.026 4.170 -0.001 0.000 0.254 257 I C 1.912 177.853 176.117 -0.292 0.000 1.160 257 I CA 1.450 62.584 61.300 -0.275 0.000 1.445 257 I CB -0.311 37.444 38.000 -0.409 0.000 1.086 257 I HN 0.184 nan 8.210 nan 0.000 0.433 258 F N 0.127 120.051 119.950 -0.042 0.000 2.512 258 F HA 0.149 4.675 4.527 -0.000 0.000 0.296 258 F C 2.402 178.155 175.800 -0.078 0.000 1.110 258 F CA 0.745 58.713 58.000 -0.053 0.000 1.446 258 F CB -1.143 37.830 39.000 -0.045 0.000 1.092 258 F HN 0.074 nan 8.300 nan 0.000 0.554 259 A N -0.245 122.608 122.820 0.054 0.000 1.872 259 A HA -0.194 4.125 4.320 -0.001 0.000 0.214 259 A C 2.208 179.740 177.584 -0.086 0.000 1.187 259 A CA 1.419 53.435 52.037 -0.036 0.000 0.614 259 A CB -0.860 18.117 19.000 -0.038 0.000 0.826 259 A HN 0.406 nan 8.150 nan 0.000 0.442 260 Q N 0.070 119.832 119.800 -0.063 0.000 2.030 260 Q HA -0.268 4.071 4.340 -0.001 0.000 0.204 260 Q C 1.958 177.923 176.000 -0.058 0.000 0.986 260 Q CA 2.205 57.969 55.803 -0.065 0.000 0.843 260 Q CB -0.230 28.473 28.738 -0.058 0.000 0.904 260 Q HN 0.619 nan 8.270 nan 0.000 0.420 261 K N 0.000 120.382 120.400 -0.030 0.000 2.044 261 K HA -0.185 4.135 4.320 -0.001 0.000 0.210 261 K C 2.168 178.760 176.600 -0.014 0.000 1.049 261 K CA 1.835 58.124 56.287 0.004 0.000 0.927 261 K CB -0.268 32.277 32.500 0.074 0.000 0.713 261 K HN 0.351 nan 8.250 nan 0.000 0.443 262 M N 0.387 119.960 119.600 -0.045 0.000 2.374 262 M HA -0.105 4.375 4.480 -0.001 0.000 0.264 262 M C 1.613 177.784 176.300 -0.214 0.000 1.067 262 M CA 1.550 56.786 55.300 -0.107 0.000 1.103 262 M CB -0.159 32.361 32.600 -0.134 0.000 1.402 262 M HN 0.242 nan 8.290 nan 0.000 0.444 263 M N -0.375 119.070 119.600 -0.258 0.000 2.134 263 M HA -0.113 4.367 4.480 -0.001 0.000 0.262 263 M C 2.076 178.355 176.300 -0.035 0.000 1.076 263 M CA 1.312 56.422 55.300 -0.315 0.000 1.143 263 M CB -0.372 32.045 32.600 -0.305 0.000 1.346 263 M HN 0.173 nan 8.290 nan 0.000 0.421 264 I N 0.274 120.837 120.570 -0.012 0.000 2.208 264 I HA -0.324 3.846 4.170 -0.001 0.000 0.245 264 I C 2.543 178.700 176.117 0.066 0.000 1.097 264 I CA 1.515 62.842 61.300 0.045 0.000 1.363 264 I CB -0.578 37.447 38.000 0.043 0.000 1.051 264 I HN 0.439 nan 8.210 nan 0.000 0.413 265 E N 1.844 122.069 120.200 0.041 0.000 2.017 265 E HA -0.274 4.076 4.350 -0.001 0.000 0.193 265 E C 2.151 178.794 176.600 0.071 0.000 0.997 265 E CA 1.500 57.933 56.400 0.054 0.000 0.804 265 E CB -0.031 29.685 29.700 0.027 0.000 0.757 265 E HN 0.397 nan 8.360 nan 0.000 0.448 266 K N -0.028 120.420 120.400 0.080 0.000 2.152 266 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 266 K C 2.342 179.036 176.600 0.157 0.000 1.048 266 K CA 1.320 57.694 56.287 0.145 0.000 0.933 266 K CB -0.200 32.459 32.500 0.266 0.000 0.721 266 K HN 0.299 nan 8.250 nan 0.000 0.447 267 C N 0.871 120.268 119.300 0.162 0.000 2.442 267 C HA -0.090 4.370 4.460 -0.001 0.000 0.279 267 C C 2.542 177.559 174.990 0.045 0.000 1.237 267 C CA 0.430 59.516 59.018 0.112 0.000 1.722 267 C CB -0.718 27.088 27.740 0.109 0.000 2.056 267 C HN 0.418 nan 8.230 nan 0.000 0.469 268 I N 0.515 121.111 120.570 0.044 0.000 2.151 268 I HA -0.297 3.872 4.170 -0.001 0.000 0.243 268 I C 2.827 178.928 176.117 -0.027 0.000 1.080 268 I CA 1.730 63.031 61.300 0.002 0.000 1.339 268 I CB -0.639 37.414 38.000 0.090 0.000 1.039 268 I HN 0.373 nan 8.210 nan 0.000 0.409 269 R N 0.595 121.102 120.500 0.012 0.000 2.091 269 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 269 R C 2.211 178.504 176.300 -0.013 0.000 1.136 269 R CA 1.525 57.624 56.100 -0.001 0.000 0.959 269 R CB -0.374 29.945 30.300 0.033 0.000 0.856 269 R HN 0.389 nan 8.270 nan 0.000 0.437 270 A N 0.250 123.071 122.820 0.002 0.000 2.235 270 A HA -0.018 4.302 4.320 -0.001 0.000 0.208 270 A C 0.764 178.328 177.584 -0.034 0.000 1.172 270 A CA 0.593 52.623 52.037 -0.011 0.000 0.786 270 A CB -0.131 18.867 19.000 -0.004 0.000 0.804 270 A HN 0.389 nan 8.150 nan 0.000 0.479 271 R N -2.255 118.214 120.500 -0.052 0.000 3.785 271 R HA -0.152 4.188 4.340 -0.001 0.000 0.476 271 R C -0.235 176.031 176.300 -0.057 0.000 0.905 271 R CA 1.777 57.838 56.100 -0.064 0.000 1.412 271 R CB -1.653 28.613 30.300 -0.056 0.000 2.077 271 R HN 0.558 nan 8.270 nan 0.000 0.504 272 K N 1.298 121.669 120.400 -0.049 0.000 2.118 272 K HA 0.400 4.719 4.320 -0.001 0.000 0.264 272 K C 0.510 177.095 176.600 -0.025 0.000 1.000 272 K CA -0.144 56.116 56.287 -0.044 0.000 0.929 272 K CB 1.347 33.816 32.500 -0.052 0.000 1.021 272 K HN 0.011 nan 8.250 nan 0.000 0.463 273 V N -0.666 119.242 119.914 -0.010 0.000 2.775 273 V HA 0.414 4.534 4.120 -0.001 0.000 0.299 273 V C -0.082 176.003 176.094 -0.016 0.000 1.062 273 V CA -0.728 61.563 62.300 -0.015 0.000 1.063 273 V CB 1.326 33.136 31.823 -0.022 0.000 0.994 273 V HN 0.477 nan 8.190 nan 0.000 0.483 274 V N 5.466 125.369 119.914 -0.018 0.000 2.686 274 V HA 0.602 4.722 4.120 -0.001 0.000 0.306 274 V C -0.574 175.508 176.094 -0.020 0.000 1.065 274 V CA -0.537 61.764 62.300 0.001 0.000 0.894 274 V CB 1.780 33.624 31.823 0.036 0.000 1.004 274 V HN 0.898 nan 8.190 nan 0.000 0.424 275 I N 5.209 125.762 120.570 -0.027 0.000 2.404 275 I HA 0.458 4.628 4.170 -0.001 0.000 0.293 275 I C 0.020 176.130 176.117 -0.012 0.000 0.992 275 I CA -0.377 60.901 61.300 -0.036 0.000 1.149 275 I CB 2.294 40.256 38.000 -0.063 0.000 1.315 275 I HN 0.509 nan 8.210 nan 0.000 0.446 276 T N 5.129 119.678 114.554 -0.008 0.000 2.795 276 T HA 0.608 4.957 4.350 -0.001 0.000 0.282 276 T C -0.167 174.531 174.700 -0.003 0.000 0.980 276 T CA -0.534 61.564 62.100 -0.002 0.000 1.012 276 T CB 1.430 70.298 68.868 0.000 0.000 0.936 276 T HN 0.669 nan 8.240 nan 0.000 0.457 277 A N 3.121 125.941 122.820 -0.000 0.000 2.323 277 A HA 0.661 4.980 4.320 -0.001 0.000 0.305 277 A C 0.606 178.191 177.584 0.001 0.000 1.275 277 A CA -0.837 51.202 52.037 0.003 0.000 0.804 277 A CB 0.354 19.359 19.000 0.009 0.000 1.152 277 A HN 0.841 nan 8.150 nan 0.000 0.487 278 T N -1.634 112.919 114.554 -0.002 0.000 2.880 278 T HA 0.722 5.072 4.350 -0.001 0.000 0.279 278 T C 1.155 175.854 174.700 -0.002 0.000 0.990 278 T CA 0.174 62.270 62.100 -0.006 0.000 0.938 278 T CB 0.332 69.194 68.868 -0.011 0.000 1.206 278 T HN 1.616 nan 8.240 nan 0.000 0.573 290 P HA 0.478 nan 4.420 nan 0.000 0.281 290 P C 0.023 177.321 177.300 -0.003 0.000 1.249 290 P CA -0.015 63.084 63.100 -0.002 0.000 0.810 290 P CB 1.168 32.867 31.700 -0.002 0.000 1.008 291 T N -1.427 113.125 114.554 -0.004 0.000 2.928 291 T HA 0.009 4.359 4.350 -0.001 0.000 0.305 291 T C 0.744 175.440 174.700 -0.006 0.000 1.035 291 T CA -0.290 61.807 62.100 -0.005 0.000 1.145 291 T CB 0.198 69.063 68.868 -0.006 0.000 0.963 291 T HN 0.252 nan 8.240 nan 0.000 0.545 292 D N 2.517 122.914 120.400 -0.006 0.000 2.203 292 D HA -0.143 4.496 4.640 -0.001 0.000 0.199 292 D C 2.256 178.551 176.300 -0.009 0.000 0.997 292 D CA 1.765 55.761 54.000 -0.007 0.000 0.863 292 D CB -0.669 40.127 40.800 -0.007 0.000 0.928 292 D HN 0.827 nan 8.370 nan 0.000 0.458 293 A N 0.787 123.600 122.820 -0.011 0.000 1.892 293 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 293 A C 2.095 179.670 177.584 -0.016 0.000 1.188 293 A CA 1.905 53.933 52.037 -0.015 0.000 0.631 293 A CB -0.573 18.418 19.000 -0.015 0.000 0.822 293 A HN 0.291 nan 8.150 nan 0.000 0.447 294 E N -0.383 119.809 120.200 -0.012 0.000 2.072 294 E HA -0.002 4.347 4.350 -0.001 0.000 0.190 294 E C 2.193 178.788 176.600 -0.009 0.000 0.982 294 E CA 0.825 57.218 56.400 -0.011 0.000 0.803 294 E CB -0.307 29.389 29.700 -0.008 0.000 0.755 294 E HN 0.598 nan 8.360 nan 0.000 0.453 295 A N 0.923 123.739 122.820 -0.007 0.000 2.125 295 A HA -0.067 4.253 4.320 -0.001 0.000 0.219 295 A C 2.167 179.747 177.584 -0.007 0.000 1.156 295 A CA 1.552 53.585 52.037 -0.005 0.000 0.671 295 A CB -0.560 18.438 19.000 -0.004 0.000 0.794 295 A HN 0.349 nan 8.150 nan 0.000 0.459 296 G N -1.225 107.569 108.800 -0.011 0.000 2.673 296 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.208 296 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.208 296 G C 1.196 176.084 174.900 -0.020 0.000 1.128 296 G CA 0.933 46.024 45.100 -0.015 0.000 0.805 296 G HN 0.389 nan 8.290 nan 0.000 0.526 297 D N 0.726 121.113 120.400 -0.022 0.000 2.116 297 D HA -0.125 4.514 4.640 -0.001 0.000 0.193 297 D C 2.632 178.919 176.300 -0.022 0.000 0.998 297 D CA 0.870 54.853 54.000 -0.028 0.000 0.836 297 D CB -0.215 40.569 40.800 -0.026 0.000 0.951 297 D HN 0.121 nan 8.370 nan 0.000 0.449 298 V N 0.991 120.897 119.914 -0.013 0.000 2.216 298 V HA -0.272 3.847 4.120 -0.001 0.000 0.242 298 V C 2.616 178.708 176.094 -0.004 0.000 1.042 298 V CA 2.213 64.510 62.300 -0.006 0.000 0.991 298 V CB -1.155 30.667 31.823 -0.002 0.000 0.633 298 V HN 0.321 nan 8.190 nan 0.000 0.449 299 A N 0.203 123.021 122.820 -0.003 0.000 1.929 299 A HA -0.388 3.932 4.320 -0.001 0.000 0.221 299 A C 1.942 179.522 177.584 -0.006 0.000 1.211 299 A CA 2.910 54.946 52.037 -0.001 0.000 0.657 299 A CB -1.153 17.844 19.000 -0.004 0.000 0.827 299 A HN 0.696 nan 8.150 nan 0.000 0.462 300 N N -0.084 118.607 118.700 -0.016 0.000 2.104 300 N HA -0.038 4.702 4.740 -0.001 0.000 0.190 300 N C 1.841 177.340 175.510 -0.019 0.000 1.024 300 N CA 1.674 54.710 53.050 -0.024 0.000 0.853 300 N CB -0.430 38.033 38.487 -0.040 0.000 1.008 300 N HN 0.534 nan 8.380 nan 0.000 0.424 301 A N 0.796 123.608 122.820 -0.013 0.000 1.877 301 A HA -0.103 4.217 4.320 -0.001 0.000 0.216 301 A C 2.179 179.774 177.584 0.018 0.000 1.186 301 A CA 1.077 53.111 52.037 -0.003 0.000 0.620 301 A CB -0.754 18.244 19.000 -0.004 0.000 0.822 301 A HN 0.233 nan 8.150 nan 0.000 0.443 302 I N -0.440 120.144 120.570 0.022 0.000 2.163 302 I HA -0.286 3.883 4.170 -0.001 0.000 0.243 302 I C 2.437 178.582 176.117 0.047 0.000 1.085 302 I CA 1.328 62.655 61.300 0.045 0.000 1.347 302 I CB -0.443 37.581 38.000 0.039 0.000 1.044 302 I HN 0.290 nan 8.210 nan 0.000 0.408 303 L N 0.279 121.509 121.223 0.012 0.000 2.046 303 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 303 L C 2.073 178.919 176.870 -0.040 0.000 1.077 303 L CA 1.280 56.108 54.840 -0.020 0.000 0.747 303 L CB -0.694 41.349 42.059 -0.027 0.000 0.896 303 L HN 0.268 nan 8.230 nan 0.000 0.432 304 D N 0.038 120.428 120.400 -0.016 0.000 2.309 304 D HA -0.087 4.553 4.640 -0.001 0.000 0.212 304 D C 1.570 177.880 176.300 0.017 0.000 0.968 304 D CA 1.353 55.344 54.000 -0.015 0.000 0.882 304 D CB 0.054 40.854 40.800 0.001 0.000 0.918 304 D HN 0.489 nan 8.370 nan 0.000 0.503 305 G N 0.565 109.414 108.800 0.082 0.000 2.135 305 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.183 305 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.183 305 G C 0.482 175.534 174.900 0.254 0.000 1.004 305 G CA 0.307 45.578 45.100 0.286 0.000 0.677 305 G HN 0.408 nan 8.290 nan 0.000 0.512 306 T N -0.711 113.919 114.554 0.126 0.000 2.906 306 T HA 0.315 4.665 4.350 -0.001 0.000 0.320 306 T C 1.489 176.222 174.700 0.055 0.000 1.088 306 T CA 1.299 63.440 62.100 0.068 0.000 1.120 306 T CB 0.371 69.262 68.868 0.038 0.000 1.000 306 T HN 0.210 nan 8.240 nan 0.000 0.550 307 D N 1.492 121.898 120.400 0.010 0.000 2.216 307 D HA 0.372 5.011 4.640 -0.001 0.000 0.208 307 D C 0.385 176.680 176.300 -0.009 0.000 0.960 307 D CA 0.921 54.910 54.000 -0.018 0.000 0.861 307 D CB 0.216 40.991 40.800 -0.041 0.000 0.985 307 D HN 0.677 nan 8.370 nan 0.000 0.493 308 A N -0.198 122.614 122.820 -0.014 0.000 2.594 308 A HA 0.658 4.978 4.320 -0.001 0.000 0.291 308 A C -1.393 176.184 177.584 -0.012 0.000 1.105 308 A CA -0.753 51.275 52.037 -0.015 0.000 0.694 308 A CB 1.418 20.394 19.000 -0.039 0.000 1.291 308 A HN 0.051 nan 8.150 nan 0.000 0.410 309 V N -1.074 118.836 119.914 -0.007 0.000 2.656 309 V HA 0.794 4.914 4.120 -0.001 0.000 0.307 309 V C -0.182 175.909 176.094 -0.005 0.000 1.051 309 V CA -0.669 61.629 62.300 -0.004 0.000 0.893 309 V CB 1.409 33.234 31.823 0.003 0.000 0.999 309 V HN 1.148 nan 8.190 nan 0.000 0.426 310 M N 4.204 123.802 119.600 -0.005 0.000 2.444 310 M HA 0.676 5.156 4.480 -0.001 0.000 0.319 310 M C -1.636 174.667 176.300 0.005 0.000 1.183 310 M CA -0.666 54.634 55.300 -0.001 0.000 1.032 310 M CB 1.688 34.288 32.600 -0.001 0.000 1.569 310 M HN 0.742 nan 8.290 nan 0.000 0.468 311 L N 2.710 123.938 121.223 0.009 0.000 2.372 311 L HA 0.375 4.715 4.340 -0.001 0.000 0.274 311 L C -0.232 176.647 176.870 0.015 0.000 0.988 311 L CA -0.478 54.369 54.840 0.011 0.000 0.833 311 L CB 2.030 44.095 42.059 0.010 0.000 1.236 311 L HN 0.854 nan 8.230 nan 0.000 0.410 312 S N 1.468 117.178 115.700 0.016 0.000 2.206 312 S HA 0.121 4.591 4.470 -0.001 0.000 0.233 312 S C 1.565 176.174 174.600 0.015 0.000 1.255 312 S CA 0.206 58.419 58.200 0.021 0.000 1.010 312 S CB 0.109 63.325 63.200 0.026 0.000 0.970 312 S HN 0.862 nan 8.310 nan 0.000 0.437 313 G N 0.469 109.277 108.800 0.013 0.000 2.659 313 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.219 313 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.219 313 G C 0.411 175.306 174.900 -0.008 0.000 1.105 313 G CA 0.919 46.017 45.100 -0.003 0.000 0.727 313 G HN 0.586 nan 8.290 nan 0.000 0.583 322 L N 1.093 122.319 121.223 0.004 0.000 2.270 322 L HA 0.144 4.484 4.340 -0.001 0.000 0.210 322 L C 1.891 178.764 176.870 0.006 0.000 1.104 322 L CA 1.968 56.812 54.840 0.006 0.000 0.804 322 L CB -0.186 41.876 42.059 0.006 0.000 0.937 322 L HN -0.009 nan 8.230 nan 0.000 0.450 323 E N -0.613 119.589 120.200 0.004 0.000 2.122 323 E HA 0.050 4.400 4.350 -0.001 0.000 0.190 323 E C 2.250 178.853 176.600 0.004 0.000 0.977 323 E CA 0.978 57.380 56.400 0.004 0.000 0.820 323 E CB -0.413 29.289 29.700 0.003 0.000 0.770 323 E HN 0.472 nan 8.360 nan 0.000 0.462 324 A N 0.825 123.647 122.820 0.004 0.000 1.873 324 A HA -0.214 4.106 4.320 -0.001 0.000 0.218 324 A C 2.438 180.026 177.584 0.006 0.000 1.193 324 A CA 1.813 53.852 52.037 0.004 0.000 0.629 324 A CB -1.006 17.996 19.000 0.004 0.000 0.826 324 A HN 0.139 nan 8.150 nan 0.000 0.447 325 V N -0.123 119.795 119.914 0.008 0.000 2.231 325 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 325 V C 2.755 178.855 176.094 0.010 0.000 1.054 325 V CA 2.496 64.802 62.300 0.010 0.000 1.015 325 V CB -1.185 30.645 31.823 0.011 0.000 0.638 325 V HN 0.559 nan 8.190 nan 0.000 0.444 326 S N -0.338 115.367 115.700 0.009 0.000 2.387 326 S HA -0.199 4.270 4.470 -0.001 0.000 0.230 326 S C 1.873 176.479 174.600 0.009 0.000 1.035 326 S CA 1.888 60.094 58.200 0.010 0.000 1.014 326 S CB -0.428 62.778 63.200 0.009 0.000 0.836 326 S HN 0.471 nan 8.310 nan 0.000 0.466 327 I N 1.085 121.659 120.570 0.007 0.000 2.233 327 I HA -0.030 4.139 4.170 -0.001 0.000 0.243 327 I C 2.128 178.249 176.117 0.008 0.000 1.093 327 I CA 1.150 62.454 61.300 0.007 0.000 1.380 327 I CB -0.409 37.594 38.000 0.005 0.000 1.067 327 I HN 0.197 nan 8.210 nan 0.000 0.413 328 M N 0.499 120.104 119.600 0.008 0.000 2.202 328 M HA -0.121 4.359 4.480 -0.001 0.000 0.262 328 M C 2.092 178.398 176.300 0.011 0.000 1.063 328 M CA 1.970 57.275 55.300 0.008 0.000 1.097 328 M CB -0.652 31.953 32.600 0.008 0.000 1.382 328 M HN 0.305 nan 8.290 nan 0.000 0.413 329 A N -0.850 121.977 122.820 0.012 0.000 1.841 329 A HA -0.177 4.142 4.320 -0.001 0.000 0.214 329 A C 2.266 179.858 177.584 0.014 0.000 1.195 329 A CA 2.495 54.541 52.037 0.014 0.000 0.611 329 A CB -1.745 17.264 19.000 0.015 0.000 0.835 329 A HN 0.647 nan 8.150 nan 0.000 0.443 330 T N -1.272 113.290 114.554 0.012 0.000 2.822 330 T HA -0.145 4.205 4.350 -0.001 0.000 0.270 330 T C 1.707 176.414 174.700 0.012 0.000 1.064 330 T CA 1.779 63.886 62.100 0.012 0.000 1.131 330 T CB -0.651 68.224 68.868 0.010 0.000 0.858 330 T HN 0.365 nan 8.240 nan 0.000 0.483 331 I N 0.099 120.675 120.570 0.011 0.000 2.500 331 I HA -0.033 4.136 4.170 -0.001 0.000 0.252 331 I C 2.687 178.813 176.117 0.014 0.000 1.142 331 I CA 0.484 61.790 61.300 0.010 0.000 1.451 331 I CB -0.329 37.676 38.000 0.008 0.000 1.093 331 I HN 0.402 nan 8.210 nan 0.000 0.430 332 C N 0.232 119.541 119.300 0.016 0.000 2.500 332 C HA -0.085 4.374 4.460 -0.001 0.000 0.279 332 C C 2.815 177.820 174.990 0.025 0.000 1.288 332 C CA 0.444 59.475 59.018 0.022 0.000 1.710 332 C CB -0.641 27.113 27.740 0.022 0.000 2.052 332 C HN 0.496 nan 8.230 nan 0.000 0.488 333 E N 1.680 121.894 120.200 0.022 0.000 2.077 333 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 333 E C 2.237 178.851 176.600 0.023 0.000 0.989 333 E CA 1.390 57.805 56.400 0.024 0.000 0.800 333 E CB -0.358 29.356 29.700 0.023 0.000 0.746 333 E HN 0.450 nan 8.360 nan 0.000 0.452 334 R N 0.180 120.692 120.500 0.019 0.000 2.105 334 R HA -0.054 4.286 4.340 -0.001 0.000 0.239 334 R C 2.210 178.520 176.300 0.017 0.000 1.135 334 R CA 2.250 58.360 56.100 0.016 0.000 0.967 334 R CB -0.842 29.465 30.300 0.012 0.000 0.861 334 R HN 0.140 nan 8.270 nan 0.000 0.442 335 T N 0.437 115.002 114.554 0.018 0.000 3.014 335 T HA 0.003 4.353 4.350 -0.001 0.000 0.263 335 T C 0.867 175.584 174.700 0.028 0.000 1.078 335 T CA 1.076 63.188 62.100 0.019 0.000 1.135 335 T CB -0.121 68.759 68.868 0.020 0.000 0.895 335 T HN 0.241 nan 8.240 nan 0.000 0.480 336 D N 1.993 122.415 120.400 0.037 0.000 2.149 336 D HA -0.067 4.573 4.640 -0.001 0.000 0.201 336 D C 2.144 178.471 176.300 0.045 0.000 0.972 336 D CA 0.703 54.734 54.000 0.051 0.000 0.835 336 D CB -0.286 40.547 40.800 0.054 0.000 0.966 336 D HN 0.509 nan 8.370 nan 0.000 0.476 337 R N 1.070 121.590 120.500 0.035 0.000 2.395 337 R HA -0.035 4.305 4.340 -0.001 0.000 0.202 337 R C 0.752 177.068 176.300 0.027 0.000 1.088 337 R CA 0.690 56.809 56.100 0.031 0.000 1.090 337 R CB -0.287 30.028 30.300 0.026 0.000 0.876 337 R HN 0.193 nan 8.270 nan 0.000 0.477 338 V N -3.686 116.243 119.914 0.025 0.000 3.293 338 V HA 0.383 4.503 4.120 -0.001 0.000 0.381 338 V C -0.030 176.071 176.094 0.011 0.000 1.465 338 V CA -0.795 61.514 62.300 0.016 0.000 1.331 338 V CB -0.178 31.650 31.823 0.009 0.000 1.160 338 V HN 0.099 nan 8.190 nan 0.000 0.565 339 M N 1.341 120.954 119.600 0.022 0.000 2.513 339 M HA 0.632 5.112 4.480 -0.001 0.000 0.291 339 M C -0.326 175.983 176.300 0.015 0.000 1.190 339 M CA -0.303 54.999 55.300 0.003 0.000 0.960 339 M CB 1.260 33.866 32.600 0.009 0.000 1.517 339 M HN 0.253 nan 8.290 nan 0.000 0.499 340 N N -0.255 118.439 118.700 -0.011 0.000 2.321 340 N HA 0.397 5.136 4.740 -0.001 0.000 0.290 340 N C -1.011 174.521 175.510 0.037 0.000 1.212 340 N CA -0.453 52.606 53.050 0.016 0.000 0.767 340 N CB 1.784 40.270 38.487 -0.003 0.000 1.494 340 N HN 0.760 nan 8.380 nan 0.000 0.479 341 S N 0.611 116.365 115.700 0.089 0.000 2.612 341 S HA 0.302 4.772 4.470 -0.001 0.000 0.253 341 S C -0.012 174.662 174.600 0.122 0.000 1.346 341 S CA -0.230 58.067 58.200 0.161 0.000 0.976 341 S CB 0.621 63.912 63.200 0.150 0.000 0.949 341 S HN 0.502 nan 8.310 nan 0.000 0.584 342 R N 0.447 121.070 120.500 0.206 0.000 2.680 342 R HA 0.336 4.676 4.340 -0.001 0.000 0.278 342 R C -0.174 176.268 176.300 0.238 0.000 1.582 342 R CA -0.191 55.993 56.100 0.141 0.000 1.177 342 R CB 0.540 30.894 30.300 0.089 0.000 1.232 342 R HN 0.572 nan 8.270 nan 0.000 0.528 343 L N 1.075 122.386 121.223 0.148 0.000 2.249 343 L HA 0.074 4.414 4.340 -0.001 0.000 0.207 343 L C 1.704 178.627 176.870 0.088 0.000 1.090 343 L CA 0.814 55.718 54.840 0.107 0.000 0.802 343 L CB -0.247 41.837 42.059 0.041 0.000 0.947 343 L HN 0.663 nan 8.230 nan 0.000 0.453 355 T N 1.604 116.178 114.554 0.033 0.000 2.720 355 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 355 T C 1.571 176.314 174.700 0.072 0.000 1.037 355 T CA 1.694 63.821 62.100 0.044 0.000 1.144 355 T CB -0.118 68.775 68.868 0.041 0.000 0.864 355 T HN 0.269 nan 8.240 nan 0.000 0.444 356 E N 1.554 121.805 120.200 0.085 0.000 2.017 356 E HA -0.074 4.276 4.350 -0.001 0.000 0.193 356 E C 2.688 179.309 176.600 0.035 0.000 0.997 356 E CA 1.285 57.764 56.400 0.132 0.000 0.804 356 E CB -0.885 28.898 29.700 0.139 0.000 0.757 356 E HN 0.500 nan 8.360 nan 0.000 0.448 357 A N 1.545 124.371 122.820 0.010 0.000 1.884 357 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 357 A C 2.712 180.269 177.584 -0.046 0.000 1.197 357 A CA 2.219 54.238 52.037 -0.030 0.000 0.637 357 A CB -1.032 17.963 19.000 -0.009 0.000 0.827 357 A HN 0.140 nan 8.150 nan 0.000 0.450 358 V N -0.788 119.120 119.914 -0.010 0.000 2.255 358 V HA -0.365 3.754 4.120 -0.001 0.000 0.247 358 V C 2.728 178.816 176.094 -0.011 0.000 1.051 358 V CA 2.215 64.514 62.300 -0.000 0.000 1.018 358 V CB -1.191 30.646 31.823 0.023 0.000 0.641 358 V HN 0.743 nan 8.190 nan 0.000 0.445 359 C N -0.694 118.611 119.300 0.009 0.000 2.413 359 C HA -0.171 4.289 4.460 -0.001 0.000 0.276 359 C C 2.910 177.818 174.990 -0.137 0.000 1.236 359 C CA 1.347 60.385 59.018 0.033 0.000 1.735 359 C CB -1.193 26.664 27.740 0.194 0.000 2.031 359 C HN 0.508 nan 8.230 nan 0.000 0.474 360 R N 0.624 120.867 120.500 -0.428 0.000 2.083 360 R HA -0.119 4.220 4.340 -0.001 0.000 0.237 360 R C 2.353 178.458 176.300 -0.324 0.000 1.137 360 R CA 1.963 57.583 56.100 -0.800 0.000 0.951 360 R CB -0.829 29.083 30.300 -0.646 0.000 0.851 360 R HN 0.613 nan 8.270 nan 0.000 0.434 361 G N 0.102 108.788 108.800 -0.189 0.000 2.459 361 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.217 361 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.217 361 G C 1.530 176.396 174.900 -0.057 0.000 1.183 361 G CA 1.043 46.085 45.100 -0.098 0.000 0.776 361 G HN 0.500 nan 8.290 nan 0.000 0.552 362 A N -0.017 122.782 122.820 -0.034 0.000 1.940 362 A HA -0.092 4.228 4.320 -0.001 0.000 0.221 362 A C 2.640 180.231 177.584 0.013 0.000 1.190 362 A CA 2.417 54.459 52.037 0.009 0.000 0.647 362 A CB -0.790 18.231 19.000 0.036 0.000 0.821 362 A HN 0.356 nan 8.150 nan 0.000 0.457 363 V N -0.189 119.722 119.914 -0.005 0.000 2.307 363 V HA -0.248 3.872 4.120 -0.001 0.000 0.245 363 V C 2.548 178.650 176.094 0.014 0.000 1.045 363 V CA 2.237 64.552 62.300 0.024 0.000 1.024 363 V CB -0.778 31.079 31.823 0.056 0.000 0.651 363 V HN 0.822 nan 8.190 nan 0.000 0.449 364 E N 0.383 120.569 120.200 -0.022 0.000 2.051 364 E HA -0.243 4.106 4.350 -0.001 0.000 0.192 364 E C 2.151 178.751 176.600 -0.000 0.000 0.991 364 E CA 2.076 58.470 56.400 -0.010 0.000 0.799 364 E CB -0.214 29.466 29.700 -0.033 0.000 0.748 364 E HN 0.617 nan 8.360 nan 0.000 0.449 365 T N 0.888 115.438 114.554 -0.005 0.000 2.788 365 T HA -0.118 4.231 4.350 -0.001 0.000 0.268 365 T C 1.892 176.598 174.700 0.010 0.000 1.044 365 T CA 1.193 63.293 62.100 -0.000 0.000 1.139 365 T CB -0.362 68.506 68.868 -0.001 0.000 0.867 365 T HN 0.377 nan 8.240 nan 0.000 0.454 366 A N 1.991 124.822 122.820 0.019 0.000 1.873 366 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 366 A C 2.264 179.865 177.584 0.028 0.000 1.193 366 A CA 1.824 53.878 52.037 0.029 0.000 0.629 366 A CB -0.597 18.428 19.000 0.042 0.000 0.826 366 A HN 0.588 nan 8.150 nan 0.000 0.447 367 E N -0.287 119.930 120.200 0.028 0.000 2.047 367 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 367 E C 2.135 178.747 176.600 0.020 0.000 0.987 367 E CA 1.222 57.639 56.400 0.029 0.000 0.799 367 E CB -0.196 29.524 29.700 0.034 0.000 0.752 367 E HN 0.589 nan 8.360 nan 0.000 0.449 368 K N 0.838 121.246 120.400 0.013 0.000 1.991 368 K HA -0.129 4.191 4.320 -0.001 0.000 0.212 368 K C 2.108 178.712 176.600 0.008 0.000 1.049 368 K CA 1.140 57.432 56.287 0.008 0.000 0.932 368 K CB -0.276 32.225 32.500 0.002 0.000 0.717 368 K HN 0.123 nan 8.250 nan 0.000 0.441 369 L N 1.124 122.352 121.223 0.007 0.000 2.633 369 L HA -0.089 4.251 4.340 -0.001 0.000 0.235 369 L C -0.379 176.499 176.870 0.012 0.000 1.163 369 L CA 0.352 55.196 54.840 0.006 0.000 0.859 369 L CB -0.520 41.541 42.059 0.003 0.000 0.973 369 L HN 0.308 nan 8.230 nan 0.000 0.451 370 D N -0.727 119.684 120.400 0.017 0.000 2.907 370 D HA -0.151 4.488 4.640 -0.001 0.000 0.226 370 D C 0.507 176.823 176.300 0.027 0.000 1.141 370 D CA 1.023 55.037 54.000 0.022 0.000 0.779 370 D CB -1.012 39.800 40.800 0.020 0.000 1.095 370 D HN 0.374 nan 8.370 nan 0.000 0.430 371 A N 1.032 123.869 122.820 0.028 0.000 2.484 371 A HA 0.375 4.695 4.320 -0.001 0.000 0.268 371 A C -0.458 177.147 177.584 0.035 0.000 1.114 371 A CA -0.623 51.432 52.037 0.031 0.000 0.780 371 A CB 0.496 19.515 19.000 0.032 0.000 1.061 371 A HN 0.004 nan 8.150 nan 0.000 0.505 372 P HA 0.076 nan 4.420 nan 0.000 0.233 372 P C -0.120 177.197 177.300 0.028 0.000 1.167 372 P CA 0.637 63.758 63.100 0.035 0.000 0.770 372 P CB 0.050 31.773 31.700 0.038 0.000 0.837 373 L N -1.053 120.186 121.223 0.027 0.000 2.622 373 L HA 0.479 4.819 4.340 -0.001 0.000 0.258 373 L C -1.663 175.229 176.870 0.036 0.000 0.996 373 L CA -0.990 53.865 54.840 0.026 0.000 0.858 373 L CB 2.131 44.194 42.059 0.007 0.000 1.449 373 L HN -0.334 nan 8.230 nan 0.000 0.411 374 I N 3.670 124.268 120.570 0.046 0.000 2.563 374 I HA 0.313 4.482 4.170 -0.001 0.000 0.276 374 I C -0.628 175.537 176.117 0.081 0.000 1.074 374 I CA -0.805 60.535 61.300 0.066 0.000 1.124 374 I CB 1.626 39.671 38.000 0.075 0.000 1.225 374 I HN 0.220 nan 8.210 nan 0.000 0.482 375 V N 6.469 126.429 119.914 0.078 0.000 2.673 375 V HA 0.142 4.262 4.120 -0.001 0.000 0.303 375 V C 0.274 176.508 176.094 0.233 0.000 1.046 375 V CA 0.068 62.430 62.300 0.103 0.000 1.126 375 V CB 1.172 32.998 31.823 0.004 0.000 0.934 375 V HN 0.398 nan 8.190 nan 0.000 0.487 376 V N 3.309 123.369 119.914 0.244 0.000 2.808 376 V HA 0.751 4.871 4.120 -0.001 0.000 0.308 376 V C 0.018 176.216 176.094 0.174 0.000 1.099 376 V CA -0.712 61.726 62.300 0.230 0.000 0.920 376 V CB 1.913 33.805 31.823 0.115 0.000 1.014 376 V HN 1.010 nan 8.190 nan 0.000 0.425 377 A N 2.225 125.028 122.820 -0.028 0.000 2.276 377 A HA 0.858 5.178 4.320 -0.001 0.000 0.316 377 A C -0.091 177.427 177.584 -0.109 0.000 1.229 377 A CA -0.369 51.589 52.037 -0.131 0.000 0.851 377 A CB 1.284 19.989 19.000 -0.491 0.000 1.165 377 A HN 0.905 nan 8.150 nan 0.000 0.513 378 T N 0.467 114.989 114.554 -0.053 0.000 2.916 378 T HA 0.394 4.744 4.350 -0.001 0.000 0.305 378 T C 0.129 174.803 174.700 -0.044 0.000 1.119 378 T CA -0.358 61.714 62.100 -0.047 0.000 1.008 378 T CB 1.622 70.480 68.868 -0.017 0.000 1.129 378 T HN 0.621 nan 8.240 nan 0.000 0.480 379 Q N 2.676 122.450 119.800 -0.044 0.000 2.385 379 Q HA 0.302 4.641 4.340 -0.001 0.000 0.195 379 Q C 2.036 178.020 176.000 -0.028 0.000 0.977 379 Q CA 1.659 57.437 55.803 -0.041 0.000 0.856 379 Q CB -0.552 28.159 28.738 -0.044 0.000 0.986 379 Q HN 0.872 nan 8.270 nan 0.000 0.558 380 G N -0.684 108.106 108.800 -0.016 0.000 2.744 380 G HA2 0.155 4.115 3.960 -0.001 0.000 0.211 380 G HA3 0.155 4.115 3.960 -0.001 0.000 0.211 380 G C 0.923 175.842 174.900 0.030 0.000 1.143 380 G CA 0.810 45.914 45.100 0.007 0.000 0.788 380 G HN 0.642 nan 8.290 nan 0.000 0.534 381 G N 0.217 109.026 108.800 0.015 0.000 2.199 381 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.254 381 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.254 381 G C 1.286 176.204 174.900 0.029 0.000 0.982 381 G CA 0.911 46.029 45.100 0.030 0.000 0.632 381 G HN 0.544 nan 8.290 nan 0.000 0.529 382 K N 1.087 121.498 120.400 0.018 0.000 2.063 382 K HA -0.100 4.220 4.320 -0.001 0.000 0.208 382 K C 2.954 179.559 176.600 0.008 0.000 1.048 382 K CA 1.986 58.278 56.287 0.008 0.000 0.928 382 K CB -0.341 32.158 32.500 -0.001 0.000 0.713 382 K HN 0.675 nan 8.250 nan 0.000 0.442 383 S N 1.481 117.184 115.700 0.005 0.000 2.359 383 S HA -0.231 4.239 4.470 -0.001 0.000 0.223 383 S C 2.364 176.980 174.600 0.026 0.000 1.039 383 S CA 1.268 59.476 58.200 0.013 0.000 1.042 383 S CB -0.608 62.590 63.200 -0.004 0.000 0.915 383 S HN 0.339 nan 8.310 nan 0.000 0.439 384 A N 2.404 125.238 122.820 0.023 0.000 1.908 384 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 384 A C 2.401 179.991 177.584 0.011 0.000 1.181 384 A CA 1.622 53.675 52.037 0.027 0.000 0.627 384 A CB -0.742 18.275 19.000 0.028 0.000 0.818 384 A HN 0.593 nan 8.150 nan 0.000 0.445 385 R N -0.722 119.780 120.500 0.004 0.000 2.082 385 R HA -0.154 4.186 4.340 -0.001 0.000 0.234 385 R C 2.566 178.844 176.300 -0.037 0.000 1.136 385 R CA 1.420 57.506 56.100 -0.024 0.000 0.935 385 R CB -0.642 29.647 30.300 -0.019 0.000 0.842 385 R HN 0.515 nan 8.270 nan 0.000 0.430 386 A N 0.602 123.422 122.820 -0.001 0.000 1.940 386 A HA -0.206 4.114 4.320 -0.001 0.000 0.221 386 A C 2.384 180.032 177.584 0.107 0.000 1.190 386 A CA 2.012 54.074 52.037 0.041 0.000 0.647 386 A CB -0.782 18.265 19.000 0.079 0.000 0.821 386 A HN 0.179 nan 8.150 nan 0.000 0.457 387 V N 0.415 120.389 119.914 0.101 0.000 2.244 387 V HA -0.219 3.900 4.120 -0.001 0.000 0.244 387 V C 2.760 178.919 176.094 0.109 0.000 1.042 387 V CA 2.062 64.459 62.300 0.160 0.000 1.006 387 V CB -0.777 31.109 31.823 0.104 0.000 0.641 387 V HN 0.704 nan 8.190 nan 0.000 0.446 388 R N 1.327 121.816 120.500 -0.019 0.000 2.170 388 R HA -0.243 4.097 4.340 -0.001 0.000 0.242 388 R C 2.172 178.277 176.300 -0.325 0.000 1.145 388 R CA 2.211 58.225 56.100 -0.142 0.000 0.984 388 R CB -0.711 29.498 30.300 -0.152 0.000 0.869 388 R HN 0.600 nan 8.270 nan 0.000 0.455 389 K N -0.225 119.957 120.400 -0.363 0.000 2.286 389 K HA -0.181 4.138 4.320 -0.001 0.000 0.203 389 K C 0.811 177.080 176.600 -0.552 0.000 1.045 389 K CA 1.509 57.472 56.287 -0.541 0.000 0.935 389 K CB -0.161 31.911 32.500 -0.713 0.000 0.737 389 K HN 0.273 nan 8.250 nan 0.000 0.460 390 Y N -0.636 119.687 120.300 0.039 0.000 2.466 390 Y HA 0.184 4.734 4.550 -0.000 0.000 0.272 390 Y C -0.436 175.639 175.900 0.291 0.000 1.169 390 Y CA -0.371 57.830 58.100 0.169 0.000 1.285 390 Y CB -0.223 38.297 38.460 0.100 0.000 1.078 390 Y HN -0.078 nan 8.280 nan 0.000 0.523 391 F N -1.244 118.749 119.950 0.071 0.000 2.866 391 F HA -0.228 4.299 4.527 -0.001 0.000 0.254 391 F C -2.229 173.618 175.800 0.079 0.000 1.009 391 F CA -1.110 56.926 58.000 0.061 0.000 0.907 391 F CB -1.808 37.219 39.000 0.045 0.000 0.859 391 F HN 0.024 nan 8.300 nan 0.000 0.842 392 P HA -0.051 nan 4.420 nan 0.000 0.269 392 P C 0.778 178.153 177.300 0.124 0.000 1.211 392 P CA 0.392 63.577 63.100 0.141 0.000 0.781 392 P CB 0.698 32.456 31.700 0.097 0.000 0.877 393 D N 0.226 120.685 120.400 0.099 0.000 2.201 393 D HA 0.032 4.672 4.640 -0.001 0.000 0.209 393 D C 0.843 177.183 176.300 0.067 0.000 0.961 393 D CA 0.634 54.683 54.000 0.082 0.000 0.861 393 D CB -0.500 40.340 40.800 0.067 0.000 0.997 393 D HN 0.358 nan 8.370 nan 0.000 0.486 394 A N 0.720 123.577 122.820 0.063 0.000 2.466 394 A HA 0.284 4.604 4.320 -0.001 0.000 0.238 394 A C 0.493 178.105 177.584 0.048 0.000 1.074 394 A CA 0.121 52.189 52.037 0.052 0.000 0.774 394 A CB 0.115 19.146 19.000 0.051 0.000 1.015 394 A HN 0.031 nan 8.150 nan 0.000 0.498 395 T N 1.926 116.503 114.554 0.039 0.000 2.884 395 T HA 0.372 4.721 4.350 -0.001 0.000 0.298 395 T C 0.229 174.950 174.700 0.034 0.000 0.998 395 T CA 0.282 62.401 62.100 0.033 0.000 1.124 395 T CB 0.166 69.049 68.868 0.025 0.000 0.931 395 T HN 0.375 nan 8.240 nan 0.000 0.531 396 I N 3.842 124.432 120.570 0.033 0.000 2.301 396 I HA 0.188 4.358 4.170 -0.001 0.000 0.292 396 I C -0.109 176.030 176.117 0.037 0.000 1.046 396 I CA -0.619 60.704 61.300 0.039 0.000 1.282 396 I CB 0.667 38.688 38.000 0.034 0.000 1.409 396 I HN 0.333 nan 8.210 nan 0.000 0.484 397 L N 7.892 129.138 121.223 0.039 0.000 2.313 397 L HA 0.560 4.899 4.340 -0.001 0.000 0.282 397 L C 0.142 177.042 176.870 0.051 0.000 1.092 397 L CA 0.218 55.078 54.840 0.033 0.000 0.831 397 L CB 0.723 42.793 42.059 0.020 0.000 1.159 397 L HN 0.645 nan 8.230 nan 0.000 0.442 398 A N 5.692 128.537 122.820 0.042 0.000 2.318 398 A HA 0.733 5.052 4.320 -0.001 0.000 0.324 398 A C -1.277 176.333 177.584 0.044 0.000 1.170 398 A CA -0.599 51.468 52.037 0.050 0.000 0.810 398 A CB 0.773 19.794 19.000 0.036 0.000 1.198 398 A HN 0.559 nan 8.150 nan 0.000 0.484 399 L N 1.615 122.880 121.223 0.070 0.000 2.282 399 L HA 0.798 5.138 4.340 -0.001 0.000 0.288 399 L C 0.525 177.409 176.870 0.024 0.000 1.033 399 L CA 0.320 55.198 54.840 0.063 0.000 0.807 399 L CB 1.493 43.630 42.059 0.131 0.000 1.209 399 L HN 0.798 nan 8.230 nan 0.000 0.423 400 T N -0.319 114.235 114.554 -0.002 0.000 2.885 400 T HA 0.391 4.741 4.350 -0.001 0.000 0.322 400 T C 0.674 175.352 174.700 -0.036 0.000 1.387 400 T CA 0.240 62.324 62.100 -0.026 0.000 1.041 400 T CB 1.279 70.124 68.868 -0.038 0.000 1.287 400 T HN 0.747 nan 8.240 nan 0.000 0.491 401 T N 0.366 114.896 114.554 -0.040 0.000 3.037 401 T HA 0.215 4.564 4.350 -0.001 0.000 0.252 401 T C 0.784 175.453 174.700 -0.053 0.000 1.073 401 T CA -0.004 62.072 62.100 -0.040 0.000 1.091 401 T CB -0.119 68.729 68.868 -0.033 0.000 0.935 401 T HN 0.464 nan 8.240 nan 0.000 0.488 402 N N 2.091 120.755 118.700 -0.061 0.000 2.411 402 N HA 0.096 4.835 4.740 -0.001 0.000 0.259 402 N C 0.621 176.067 175.510 -0.107 0.000 1.103 402 N CA 0.065 53.072 53.050 -0.072 0.000 0.954 402 N CB 1.184 39.632 38.487 -0.064 0.000 1.085 402 N HN 0.413 nan 8.380 nan 0.000 0.485 403 E N 2.420 122.548 120.200 -0.119 0.000 2.106 403 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 403 E C 1.009 177.485 176.600 -0.205 0.000 0.984 403 E CA 0.963 57.242 56.400 -0.201 0.000 0.806 403 E CB 0.216 29.837 29.700 -0.132 0.000 0.750 403 E HN 0.450 nan 8.360 nan 0.000 0.458 404 K N 0.541 120.883 120.400 -0.097 0.000 2.057 404 K HA -0.087 4.232 4.320 -0.001 0.000 0.207 404 K C 2.033 178.549 176.600 -0.141 0.000 1.049 404 K CA 1.538 57.777 56.287 -0.080 0.000 0.931 404 K CB -0.507 31.918 32.500 -0.126 0.000 0.714 404 K HN -0.026 nan 8.250 nan 0.000 0.440 405 T N 0.241 114.714 114.554 -0.136 0.000 2.746 405 T HA -0.101 4.248 4.350 -0.001 0.000 0.267 405 T C 1.748 176.392 174.700 -0.093 0.000 1.039 405 T CA 1.360 63.395 62.100 -0.108 0.000 1.142 405 T CB -0.406 68.421 68.868 -0.067 0.000 0.866 405 T HN 0.364 nan 8.240 nan 0.000 0.444 406 A N 1.001 123.733 122.820 -0.146 0.000 1.877 406 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 406 A C 1.903 179.409 177.584 -0.131 0.000 1.186 406 A CA 1.827 53.770 52.037 -0.158 0.000 0.620 406 A CB -0.911 17.946 19.000 -0.239 0.000 0.822 406 A HN 0.662 nan 8.150 nan 0.000 0.443 407 H N -0.445 118.602 119.070 -0.039 0.000 2.321 407 H HA -0.121 4.435 4.556 -0.000 0.000 0.300 407 H C 2.339 177.676 175.328 0.016 0.000 1.087 407 H CA 1.652 57.689 56.048 -0.018 0.000 1.319 407 H CB -0.100 29.633 29.762 -0.049 0.000 1.379 407 H HN 0.593 nan 8.280 nan 0.000 0.501 408 Q N 0.506 120.336 119.800 0.050 0.000 2.248 408 Q HA -0.161 4.179 4.340 -0.001 0.000 0.208 408 Q C 2.129 178.276 176.000 0.245 0.000 0.984 408 Q CA 1.014 56.839 55.803 0.036 0.000 0.875 408 Q CB -0.137 28.391 28.738 -0.351 0.000 0.910 408 Q HN 0.535 nan 8.270 nan 0.000 0.433 409 L N 0.231 121.532 121.223 0.131 0.000 2.353 409 L HA -0.150 4.190 4.340 -0.001 0.000 0.220 409 L C 2.133 179.077 176.870 0.123 0.000 1.133 409 L CA 0.339 55.250 54.840 0.119 0.000 0.798 409 L CB -0.350 41.746 42.059 0.061 0.000 0.922 409 L HN 0.108 nan 8.230 nan 0.000 0.445 410 V N -0.212 119.792 119.914 0.151 0.000 2.490 410 V HA -0.268 3.852 4.120 -0.001 0.000 0.250 410 V C 2.244 178.400 176.094 0.105 0.000 1.061 410 V CA 1.332 63.708 62.300 0.125 0.000 1.064 410 V CB -0.355 31.558 31.823 0.151 0.000 0.670 410 V HN 0.353 nan 8.190 nan 0.000 0.461 411 L N -0.051 121.258 121.223 0.144 0.000 2.465 411 L HA 0.105 4.445 4.340 -0.001 0.000 0.224 411 L C 1.276 178.156 176.870 0.017 0.000 1.145 411 L CA 0.917 55.772 54.840 0.025 0.000 0.834 411 L CB -0.432 41.531 42.059 -0.161 0.000 0.944 411 L HN 0.228 nan 8.230 nan 0.000 0.451 412 S N 0.406 116.140 115.700 0.057 0.000 2.545 412 S HA 0.153 4.623 4.470 -0.001 0.000 0.275 412 S C 0.048 174.642 174.600 -0.009 0.000 1.299 412 S CA -0.495 57.716 58.200 0.019 0.000 1.048 412 S CB 0.892 64.111 63.200 0.032 0.000 0.938 412 S HN 0.187 nan 8.310 nan 0.000 0.496 413 K N 1.451 121.821 120.400 -0.049 0.000 2.484 413 K HA 0.205 4.524 4.320 -0.001 0.000 0.280 413 K C 1.319 177.891 176.600 -0.046 0.000 1.013 413 K CA 0.895 57.149 56.287 -0.056 0.000 1.029 413 K CB -0.170 32.268 32.500 -0.104 0.000 0.902 413 K HN 0.899 nan 8.250 nan 0.000 0.481 414 G N 2.130 110.922 108.800 -0.012 0.000 2.216 414 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.269 414 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.269 414 G C 0.051 174.956 174.900 0.009 0.000 0.981 414 G CA 0.521 45.623 45.100 0.004 0.000 0.658 414 G HN 0.473 nan 8.290 nan 0.000 0.539 415 V N 0.443 120.362 119.914 0.008 0.000 2.498 415 V HA 0.495 4.615 4.120 -0.001 0.000 0.279 415 V C 0.579 176.689 176.094 0.027 0.000 1.048 415 V CA -0.505 61.806 62.300 0.019 0.000 0.967 415 V CB 1.906 33.744 31.823 0.024 0.000 0.988 415 V HN 0.154 nan 8.190 nan 0.000 0.473 416 V N 8.005 127.935 119.914 0.026 0.000 2.266 416 V HA 0.306 4.426 4.120 -0.001 0.000 0.271 416 V C -1.995 174.112 176.094 0.022 0.000 1.032 416 V CA -1.546 60.769 62.300 0.025 0.000 0.806 416 V CB 1.452 33.287 31.823 0.019 0.000 1.052 416 V HN 0.764 nan 8.190 nan 0.000 0.449 417 P HA 0.279 nan 4.420 nan 0.000 0.274 417 P C -0.952 176.346 177.300 -0.003 0.000 1.231 417 P CA -0.269 62.836 63.100 0.008 0.000 0.790 417 P CB 1.093 32.794 31.700 0.002 0.000 0.951 418 Q N 0.783 120.577 119.800 -0.010 0.000 2.268 418 Q HA 0.385 4.725 4.340 -0.001 0.000 0.266 418 Q C -1.146 174.838 176.000 -0.027 0.000 1.006 418 Q CA -0.991 54.802 55.803 -0.016 0.000 0.824 418 Q CB 2.310 31.045 28.738 -0.006 0.000 1.306 418 Q HN 0.303 nan 8.270 nan 0.000 0.424 419 L N 3.328 124.525 121.223 -0.043 0.000 2.326 419 L HA 0.557 4.896 4.340 -0.001 0.000 0.278 419 L C -0.764 176.089 176.870 -0.029 0.000 1.092 419 L CA -0.155 54.654 54.840 -0.052 0.000 0.810 419 L CB 1.434 43.450 42.059 -0.071 0.000 1.153 419 L HN 0.504 nan 8.230 nan 0.000 0.439 420 V N 0.843 120.744 119.914 -0.022 0.000 2.971 420 V HA 0.486 4.606 4.120 -0.001 0.000 0.309 420 V C 0.747 176.832 176.094 -0.014 0.000 1.130 420 V CA -0.827 61.466 62.300 -0.011 0.000 0.964 420 V CB 1.475 33.301 31.823 0.004 0.000 1.029 420 V HN 0.526 nan 8.190 nan 0.000 0.427 421 K N 0.720 121.113 120.400 -0.011 0.000 2.044 421 K HA -0.013 4.307 4.320 -0.001 0.000 0.210 421 K C 0.611 177.203 176.600 -0.012 0.000 1.049 421 K CA 2.281 58.561 56.287 -0.012 0.000 0.927 421 K CB -0.378 32.116 32.500 -0.010 0.000 0.713 421 K HN 1.087 nan 8.250 nan 0.000 0.443 422 E N -2.686 117.510 120.200 -0.007 0.000 2.393 422 E HA 0.454 4.804 4.350 -0.001 0.000 0.278 422 E C -2.056 174.546 176.600 0.004 0.000 1.171 422 E CA -0.465 55.931 56.400 -0.007 0.000 0.904 422 E CB 0.810 30.504 29.700 -0.011 0.000 1.309 422 E HN 0.109 nan 8.360 nan 0.000 0.423 423 I N 2.448 123.019 120.570 0.000 0.000 2.563 423 I HA 0.215 4.385 4.170 -0.001 0.000 0.285 423 I C 1.046 177.156 176.117 -0.011 0.000 1.123 423 I CA -0.289 61.019 61.300 0.013 0.000 1.059 423 I CB 2.020 40.038 38.000 0.030 0.000 1.229 423 I HN 0.767 nan 8.210 nan 0.000 0.442 424 T N 1.070 115.619 114.554 -0.007 0.000 2.904 424 T HA 0.052 4.401 4.350 -0.001 0.000 0.267 424 T C 0.656 175.342 174.700 -0.023 0.000 1.059 424 T CA 1.089 63.181 62.100 -0.014 0.000 1.137 424 T CB 0.073 68.937 68.868 -0.008 0.000 0.879 424 T HN 0.710 nan 8.240 nan 0.000 0.467 425 S N -1.973 113.711 115.700 -0.026 0.000 2.627 425 S HA 0.321 4.791 4.470 -0.001 0.000 0.268 425 S C 0.604 175.164 174.600 -0.067 0.000 1.130 425 S CA -0.101 58.073 58.200 -0.043 0.000 0.819 425 S CB 0.723 63.909 63.200 -0.023 0.000 1.100 425 S HN -0.008 nan 8.310 nan 0.000 0.465 426 T N 1.491 115.981 114.554 -0.107 0.000 2.649 426 T HA -0.151 4.199 4.350 -0.001 0.000 0.268 426 T C 0.974 175.471 174.700 -0.339 0.000 1.036 426 T CA 2.261 64.228 62.100 -0.222 0.000 1.157 426 T CB -0.756 68.041 68.868 -0.117 0.000 0.861 426 T HN 0.684 nan 8.240 nan 0.000 0.445 427 D N 0.242 120.586 120.400 -0.094 0.000 2.269 427 D HA -0.047 4.593 4.640 -0.001 0.000 0.208 427 D C 1.967 178.268 176.300 0.000 0.000 0.963 427 D CA 0.711 54.730 54.000 0.032 0.000 0.864 427 D CB -0.298 40.568 40.800 0.109 0.000 0.936 427 D HN 0.388 nan 8.370 nan 0.000 0.505 428 D N 0.071 120.460 120.400 -0.018 0.000 2.103 428 D HA -0.165 4.475 4.640 -0.001 0.000 0.199 428 D C 1.926 178.213 176.300 -0.021 0.000 0.978 428 D CA 0.416 54.413 54.000 -0.005 0.000 0.829 428 D CB -0.313 40.490 40.800 0.005 0.000 0.981 428 D HN 0.058 nan 8.370 nan 0.000 0.464 429 F N 0.669 120.497 119.950 -0.204 0.000 2.063 429 F HA -0.300 4.227 4.527 -0.001 0.000 0.298 429 F C 1.849 177.532 175.800 -0.195 0.000 1.109 429 F CA 1.709 59.568 58.000 -0.236 0.000 1.212 429 F CB -0.962 37.821 39.000 -0.362 0.000 0.973 429 F HN -0.014 nan 8.300 nan 0.000 0.480 430 Y N 0.809 120.924 120.300 -0.308 0.000 2.165 430 Y HA -0.214 4.336 4.550 -0.001 0.000 0.286 430 Y C 2.826 178.470 175.900 -0.427 0.000 1.155 430 Y CA 1.704 59.473 58.100 -0.551 0.000 1.164 430 Y CB -1.336 36.877 38.460 -0.410 0.000 0.978 430 Y HN 0.117 nan 8.280 nan 0.000 0.513 431 R N 1.048 121.497 120.500 -0.085 0.000 2.092 431 R HA -0.144 4.196 4.340 -0.001 0.000 0.231 431 R C 2.127 178.361 176.300 -0.112 0.000 1.119 431 R CA 1.436 57.492 56.100 -0.073 0.000 0.970 431 R CB -1.015 29.275 30.300 -0.017 0.000 0.864 431 R HN 0.440 nan 8.270 nan 0.000 0.440 432 L N 1.093 122.239 121.223 -0.129 0.000 2.005 432 L HA 0.056 4.395 4.340 -0.001 0.000 0.207 432 L C 2.365 179.142 176.870 -0.154 0.000 1.072 432 L CA 2.500 57.275 54.840 -0.107 0.000 0.744 432 L CB -1.396 40.621 42.059 -0.070 0.000 0.895 432 L HN 0.273 nan 8.230 nan 0.000 0.433 433 G N -0.295 108.334 108.800 -0.286 0.000 2.505 433 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.220 433 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.220 433 G C 1.665 176.436 174.900 -0.214 0.000 1.145 433 G CA 1.251 46.158 45.100 -0.322 0.000 0.761 433 G HN 0.499 nan 8.290 nan 0.000 0.571 434 K N 0.340 120.614 120.400 -0.209 0.000 2.057 434 K HA -0.079 4.241 4.320 -0.001 0.000 0.207 434 K C 2.470 179.015 176.600 -0.090 0.000 1.049 434 K CA 1.414 57.620 56.287 -0.135 0.000 0.931 434 K CB -0.196 32.237 32.500 -0.111 0.000 0.714 434 K HN 0.441 nan 8.250 nan 0.000 0.440 435 E N 0.992 121.143 120.200 -0.083 0.000 2.051 435 E HA -0.177 4.172 4.350 -0.001 0.000 0.192 435 E C 2.165 178.731 176.600 -0.057 0.000 0.991 435 E CA 1.075 57.441 56.400 -0.056 0.000 0.799 435 E CB -0.169 29.503 29.700 -0.047 0.000 0.748 435 E HN 0.223 nan 8.360 nan 0.000 0.449 436 L N 0.740 121.922 121.223 -0.067 0.000 1.989 436 L HA -0.213 4.126 4.340 -0.001 0.000 0.211 436 L C 2.738 179.572 176.870 -0.060 0.000 1.071 436 L CA 1.115 55.922 54.840 -0.055 0.000 0.749 436 L CB -0.786 41.243 42.059 -0.049 0.000 0.890 436 L HN 0.150 nan 8.230 nan 0.000 0.431 437 A N 0.319 123.095 122.820 -0.073 0.000 1.927 437 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 437 A C 2.278 179.806 177.584 -0.094 0.000 1.185 437 A CA 1.919 53.910 52.037 -0.076 0.000 0.639 437 A CB -0.895 18.058 19.000 -0.078 0.000 0.820 437 A HN 0.409 nan 8.150 nan 0.000 0.451 438 L N -1.221 119.952 121.223 -0.084 0.000 2.141 438 L HA -0.214 4.126 4.340 -0.001 0.000 0.209 438 L C 2.854 179.672 176.870 -0.087 0.000 1.094 438 L CA 1.344 56.128 54.840 -0.094 0.000 0.763 438 L CB -0.484 41.543 42.059 -0.054 0.000 0.908 438 L HN 0.531 nan 8.230 nan 0.000 0.437 439 Q N -0.708 119.056 119.800 -0.060 0.000 2.119 439 Q HA -0.138 4.202 4.340 -0.001 0.000 0.201 439 Q C 2.292 178.264 176.000 -0.047 0.000 0.972 439 Q CA 1.490 57.268 55.803 -0.042 0.000 0.847 439 Q CB -0.071 28.650 28.738 -0.028 0.000 0.903 439 Q HN 0.390 nan 8.270 nan 0.000 0.433 440 S N -0.306 115.359 115.700 -0.058 0.000 2.440 440 S HA -0.142 4.328 4.470 -0.001 0.000 0.240 440 S C 1.587 176.150 174.600 -0.060 0.000 1.014 440 S CA 0.974 59.144 58.200 -0.051 0.000 0.980 440 S CB -0.397 62.771 63.200 -0.054 0.000 0.775 440 S HN 0.731 nan 8.310 nan 0.000 0.499 441 G N 0.666 109.401 108.800 -0.107 0.000 2.245 441 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.264 441 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.264 441 G C 0.754 175.551 174.900 -0.173 0.000 0.985 441 G CA 0.546 45.580 45.100 -0.109 0.000 0.625 441 G HN 0.513 nan 8.290 nan 0.000 0.536 442 L N 0.106 121.242 121.223 -0.144 0.000 2.275 442 L HA 0.434 4.773 4.340 -0.001 0.000 0.215 442 L C 1.571 178.349 176.870 -0.153 0.000 1.119 442 L CA 1.251 56.030 54.840 -0.101 0.000 0.790 442 L CB -0.419 41.606 42.059 -0.057 0.000 0.919 442 L HN 0.719 nan 8.230 nan 0.000 0.443 443 A N -1.982 120.643 122.820 -0.325 0.000 2.593 443 A HA 0.743 5.062 4.320 -0.001 0.000 0.290 443 A C -1.024 176.211 177.584 -0.583 0.000 1.126 443 A CA -0.618 51.250 52.037 -0.281 0.000 0.695 443 A CB 1.406 20.339 19.000 -0.112 0.000 1.290 443 A HN 0.094 nan 8.150 nan 0.000 0.414 444 H N 0.098 119.171 119.070 0.005 0.000 2.959 444 H HA 0.352 4.907 4.556 -0.001 0.000 0.296 444 H C -0.771 174.559 175.328 0.003 0.000 1.421 444 H CA -0.954 55.096 56.048 0.003 0.000 1.206 444 H CB 0.708 30.473 29.762 0.004 0.000 1.891 444 H HN 0.529 nan 8.280 nan 0.000 0.573 445 K N 0.922 121.417 120.400 0.158 0.000 2.484 445 K HA 0.071 4.391 4.320 -0.001 0.000 0.280 445 K C 1.122 177.764 176.600 0.070 0.000 1.013 445 K CA 1.084 57.419 56.287 0.080 0.000 1.029 445 K CB 0.111 32.646 32.500 0.059 0.000 0.902 445 K HN 1.001 nan 8.250 nan 0.000 0.481 446 G N 2.643 111.470 108.800 0.045 0.000 2.225 446 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.254 446 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.254 446 G C -0.189 174.733 174.900 0.037 0.000 0.988 446 G CA 0.045 45.165 45.100 0.034 0.000 0.625 446 G HN 0.601 nan 8.290 nan 0.000 0.527 447 D N 0.932 121.363 120.400 0.050 0.000 2.351 447 D HA 0.482 5.122 4.640 -0.001 0.000 0.251 447 D C 1.011 177.329 176.300 0.030 0.000 1.137 447 D CA -0.167 53.859 54.000 0.045 0.000 0.879 447 D CB 1.829 42.663 40.800 0.056 0.000 1.181 447 D HN 0.154 nan 8.370 nan 0.000 0.448 448 V N 2.260 122.190 119.914 0.026 0.000 3.319 448 V HA 0.350 4.469 4.120 -0.001 0.000 0.303 448 V C 0.460 176.571 176.094 0.028 0.000 1.094 448 V CA -0.203 62.110 62.300 0.022 0.000 1.106 448 V CB 1.584 33.415 31.823 0.013 0.000 1.099 448 V HN 0.315 nan 8.190 nan 0.000 0.476 449 V N 1.872 121.809 119.914 0.038 0.000 2.882 449 V HA 0.304 4.423 4.120 -0.001 0.000 0.295 449 V C -0.601 175.529 176.094 0.059 0.000 1.273 449 V CA -0.604 61.718 62.300 0.038 0.000 0.949 449 V CB 1.978 33.811 31.823 0.018 0.000 1.071 449 V HN 0.581 nan 8.190 nan 0.000 0.432 450 V N 4.772 124.722 119.914 0.060 0.000 2.743 450 V HA 0.628 4.747 4.120 -0.001 0.000 0.301 450 V C -0.018 176.147 176.094 0.118 0.000 1.057 450 V CA -0.496 61.854 62.300 0.084 0.000 1.006 450 V CB 1.746 33.610 31.823 0.069 0.000 1.024 450 V HN 0.858 nan 8.190 nan 0.000 0.473 451 M N 3.216 122.927 119.600 0.185 0.000 2.149 451 M HA 0.466 4.946 4.480 -0.001 0.000 0.273 451 M C -1.322 175.239 176.300 0.435 0.000 0.972 451 M CA -0.322 55.169 55.300 0.319 0.000 0.984 451 M CB 1.911 34.698 32.600 0.312 0.000 1.699 451 M HN 0.369 nan 8.290 nan 0.000 0.462 452 V N 1.851 121.967 119.914 0.337 0.000 2.834 452 V HA 0.908 5.028 4.120 -0.001 0.000 0.313 452 V C 0.195 176.341 176.094 0.088 0.000 1.060 452 V CA -0.304 62.121 62.300 0.209 0.000 0.989 452 V CB 1.908 33.806 31.823 0.125 0.000 1.041 452 V HN 1.052 nan 8.190 nan 0.000 0.459 453 S N 1.044 116.716 115.700 -0.046 0.000 2.701 453 S HA 0.530 5.000 4.470 -0.001 0.000 0.267 453 S C -0.511 173.999 174.600 -0.150 0.000 1.034 453 S CA -0.318 57.726 58.200 -0.260 0.000 0.867 453 S CB 0.704 63.475 63.200 -0.716 0.000 1.123 453 S HN 1.396 nan 8.310 nan 0.000 0.470 454 G N -0.188 108.500 108.800 -0.187 0.000 2.425 454 G HA2 0.814 4.774 3.960 -0.001 0.000 0.302 454 G HA3 0.814 4.774 3.960 -0.001 0.000 0.302 454 G C -0.259 174.567 174.900 -0.123 0.000 1.159 454 G CA -0.426 44.604 45.100 -0.117 0.000 0.865 454 G HN 1.736 nan 8.290 nan 0.000 0.515 455 A N 0.686 123.465 122.820 -0.069 0.000 2.480 455 A HA 0.546 4.865 4.320 -0.001 0.000 0.289 455 A C -0.017 177.548 177.584 -0.031 0.000 1.044 455 A CA -0.632 51.374 52.037 -0.052 0.000 0.761 455 A CB 0.647 19.635 19.000 -0.019 0.000 1.289 455 A HN 1.519 nan 8.150 nan 0.000 0.401 456 L N 0.177 121.380 121.223 -0.033 0.000 3.737 456 L HA -0.216 4.123 4.340 -0.001 0.000 0.418 456 L C 0.167 177.023 176.870 -0.022 0.000 1.216 456 L CA 1.429 56.256 54.840 -0.023 0.000 0.915 456 L CB -2.179 39.873 42.059 -0.012 0.000 1.834 456 L HN 1.582 nan 8.230 nan 0.000 0.943 457 V N -4.476 115.419 119.914 -0.031 0.000 2.932 457 V HA 0.914 5.033 4.120 -0.001 0.000 0.307 457 V C -2.110 173.964 176.094 -0.034 0.000 1.147 457 V CA -1.788 60.495 62.300 -0.027 0.000 0.951 457 V CB 1.680 33.489 31.823 -0.024 0.000 1.031 457 V HN 0.009 nan 8.190 nan 0.000 0.426 458 P HA 0.286 nan 4.420 nan 0.000 0.270 458 P C 0.332 177.613 177.300 -0.032 0.000 1.227 458 P CA 0.142 63.225 63.100 -0.028 0.000 0.788 458 P CB 0.270 31.957 31.700 -0.021 0.000 0.926 459 S N -0.163 115.517 115.700 -0.034 0.000 2.580 459 S HA 0.335 4.804 4.470 -0.001 0.000 0.261 459 S C 1.526 176.110 174.600 -0.026 0.000 1.366 459 S CA 0.795 58.974 58.200 -0.035 0.000 0.996 459 S CB -0.461 62.719 63.200 -0.033 0.000 0.902 459 S HN 0.972 nan 8.310 nan 0.000 0.566 460 G N 0.149 108.935 108.800 -0.024 0.000 2.184 460 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.264 460 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.264 460 G C 0.067 174.958 174.900 -0.015 0.000 0.975 460 G CA 0.372 45.462 45.100 -0.017 0.000 0.642 460 G HN 0.824 nan 8.290 nan 0.000 0.536 461 T N 1.116 115.657 114.554 -0.021 0.000 2.881 461 T HA 0.606 4.955 4.350 -0.001 0.000 0.291 461 T C -0.234 174.452 174.700 -0.023 0.000 0.990 461 T CA 0.026 62.116 62.100 -0.016 0.000 0.976 461 T CB 2.062 70.921 68.868 -0.016 0.000 0.970 461 T HN 0.195 nan 8.240 nan 0.000 0.438 462 T N 3.612 118.159 114.554 -0.012 0.000 2.859 462 T HA 0.554 4.904 4.350 -0.001 0.000 0.281 462 T C 0.701 175.401 174.700 0.000 0.000 1.005 462 T CA -0.758 61.334 62.100 -0.012 0.000 1.025 462 T CB 0.722 69.591 68.868 0.002 0.000 0.977 462 T HN 0.783 nan 8.240 nan 0.000 0.458 463 N N -0.398 118.303 118.700 0.002 0.000 1.975 463 N HA 0.015 4.755 4.740 -0.001 0.000 0.220 463 N C -0.917 174.612 175.510 0.031 0.000 1.413 463 N CA -0.373 52.685 53.050 0.014 0.000 0.722 463 N CB 0.430 38.921 38.487 0.007 0.000 1.151 463 N HN 0.433 nan 8.380 nan 0.000 0.557 464 T N 0.665 115.246 114.554 0.045 0.000 2.916 464 T HA 0.866 5.216 4.350 -0.001 0.000 0.298 464 T C -1.208 173.578 174.700 0.143 0.000 1.031 464 T CA -0.377 61.778 62.100 0.093 0.000 0.993 464 T CB 2.014 70.944 68.868 0.103 0.000 1.045 464 T HN 0.443 nan 8.240 nan 0.000 0.454 465 A N 1.760 124.670 122.820 0.150 0.000 2.475 465 A HA 0.933 5.252 4.320 -0.001 0.000 0.301 465 A C -0.625 177.039 177.584 0.132 0.000 1.059 465 A CA -0.880 51.251 52.037 0.157 0.000 0.710 465 A CB 1.946 21.000 19.000 0.089 0.000 1.288 465 A HN 0.814 nan 8.150 nan 0.000 0.408 466 S N 1.093 116.862 115.700 0.115 0.000 2.592 466 S HA 0.515 4.985 4.470 -0.001 0.000 0.275 466 S C -1.128 173.494 174.600 0.036 0.000 1.169 466 S CA -0.400 57.786 58.200 -0.024 0.000 0.958 466 S CB 0.998 64.032 63.200 -0.276 0.000 1.095 466 S HN 1.114 nan 8.310 nan 0.000 0.471 467 V N 6.330 126.202 119.914 -0.070 0.000 2.649 467 V HA 0.524 4.644 4.120 -0.001 0.000 0.292 467 V C -0.091 175.876 176.094 -0.212 0.000 1.055 467 V CA 0.005 62.270 62.300 -0.059 0.000 1.023 467 V CB 1.040 32.812 31.823 -0.086 0.000 0.992 467 V HN 0.885 nan 8.190 nan 0.000 0.480 468 H N 1.950 120.958 119.070 -0.104 0.000 2.974 468 H HA 0.431 4.987 4.556 -0.001 0.000 0.366 468 H C -1.276 174.016 175.328 -0.061 0.000 1.155 468 H CA -0.573 55.414 56.048 -0.101 0.000 1.186 468 H CB 2.339 32.024 29.762 -0.129 0.000 1.799 468 H HN 0.388 nan 8.280 nan 0.000 0.541 469 V N 4.372 124.312 119.914 0.044 0.000 2.481 469 V HA 0.218 4.337 4.120 -0.001 0.000 0.286 469 V C 0.679 176.798 176.094 0.042 0.000 1.042 469 V CA -0.512 61.805 62.300 0.029 0.000 0.928 469 V CB 1.423 33.248 31.823 0.003 0.000 0.986 469 V HN 0.447 nan 8.190 nan 0.000 0.462 470 L N 0.000 121.242 121.223 0.031 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 470 L CA 0.000 54.853 54.840 0.022 0.000 0.813 470 L CB 0.000 42.067 42.059 0.013 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502