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_C 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 0.000 176.317 176.300 0.029 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 K N 1.332 121.748 120.400 0.027 0.000 2.140 2 K HA 0.477 4.796 4.320 -0.001 0.000 0.237 2 K C -0.299 176.321 176.600 0.033 0.000 1.045 2 K CA -0.626 55.679 56.287 0.029 0.000 0.896 2 K CB 1.133 33.648 32.500 0.026 0.000 1.122 2 K HN 0.842 nan 8.250 nan 0.000 0.503 3 K N -0.383 120.040 120.400 0.039 0.000 2.462 3 K HA 0.087 4.406 4.320 -0.001 0.000 0.201 3 K C -0.240 176.382 176.600 0.036 0.000 1.268 3 K CA 0.027 56.338 56.287 0.041 0.000 0.933 3 K CB 0.994 33.528 32.500 0.056 0.000 1.162 3 K HN 0.618 nan 8.250 nan 0.000 0.527 4 T N 2.911 117.489 114.554 0.040 0.000 2.930 4 T HA 0.098 4.447 4.350 -0.001 0.000 0.306 4 T C 0.036 174.747 174.700 0.019 0.000 1.045 4 T CA 0.161 62.281 62.100 0.033 0.000 1.134 4 T CB 0.730 69.621 68.868 0.037 0.000 0.961 4 T HN -0.145 nan 8.240 nan 0.000 0.545 5 K N 2.484 122.890 120.400 0.009 0.000 2.130 5 K HA 0.503 4.823 4.320 -0.001 0.000 0.268 5 K C -0.153 176.445 176.600 -0.004 0.000 0.983 5 K CA -0.516 55.772 56.287 0.001 0.000 0.893 5 K CB 1.522 34.016 32.500 -0.011 0.000 1.066 5 K HN 0.517 nan 8.250 nan 0.000 0.450 6 I N 1.856 122.425 120.570 -0.001 0.000 2.377 6 I HA 0.213 4.382 4.170 -0.001 0.000 0.293 6 I C -0.315 175.798 176.117 -0.007 0.000 0.987 6 I CA -1.174 60.125 61.300 -0.002 0.000 1.185 6 I CB 1.798 39.801 38.000 0.005 0.000 1.341 6 I HN 0.000 nan 8.210 nan 0.000 0.455 7 V N 5.884 125.791 119.914 -0.012 0.000 2.311 7 V HA 0.256 4.376 4.120 -0.001 0.000 0.275 7 V C -0.136 175.960 176.094 0.004 0.000 1.022 7 V CA -0.429 61.864 62.300 -0.013 0.000 0.830 7 V CB 0.995 32.799 31.823 -0.033 0.000 1.012 7 V HN 0.830 nan 8.190 nan 0.000 0.452 8 C N 3.211 122.519 119.300 0.014 0.000 2.365 8 C HA 0.626 5.085 4.460 -0.001 0.000 0.349 8 C C 0.872 175.883 174.990 0.034 0.000 1.191 8 C CA -0.620 58.411 59.018 0.021 0.000 2.114 8 C CB 1.014 28.767 27.740 0.022 0.000 2.367 8 C HN 0.777 nan 8.230 nan 0.000 0.530 9 T N 3.787 118.363 114.554 0.037 0.000 2.767 9 T HA 0.398 4.748 4.350 -0.001 0.000 0.288 9 T C 0.220 174.950 174.700 0.050 0.000 0.963 9 T CA -0.114 62.019 62.100 0.056 0.000 1.019 9 T CB 0.230 69.132 68.868 0.057 0.000 0.923 9 T HN 0.334 nan 8.240 nan 0.000 0.468 10 I N 2.315 122.924 120.570 0.065 0.000 2.677 10 I HA 0.722 4.891 4.170 -0.001 0.000 0.305 10 I C 1.016 177.159 176.117 0.043 0.000 0.988 10 I CA -0.143 61.189 61.300 0.053 0.000 1.260 10 I CB 1.242 39.282 38.000 0.067 0.000 1.410 10 I HN 0.814 nan 8.210 nan 0.000 0.523 11 G N 3.448 112.258 108.800 0.017 0.000 2.634 11 G HA2 0.443 4.402 3.960 -0.001 0.000 0.309 11 G HA3 0.443 4.402 3.960 -0.001 0.000 0.309 11 G C -2.710 172.177 174.900 -0.021 0.000 1.299 11 G CA -0.367 44.726 45.100 -0.013 0.000 0.798 11 G HN 0.269 nan 8.290 nan 0.000 0.490 12 P HA -0.062 nan 4.420 nan 0.000 0.214 12 P C 2.187 179.472 177.300 -0.025 0.000 1.169 12 P CA 3.175 66.251 63.100 -0.040 0.000 0.908 12 P CB 0.043 31.711 31.700 -0.053 0.000 0.791 13 K N -0.679 119.706 120.400 -0.025 0.000 2.360 13 K HA -0.074 4.245 4.320 -0.001 0.000 0.201 13 K C 1.598 178.193 176.600 -0.009 0.000 1.046 13 K CA 2.070 58.347 56.287 -0.017 0.000 0.945 13 K CB -1.844 30.644 32.500 -0.019 0.000 0.750 13 K HN 0.528 nan 8.250 nan 0.000 0.464 14 T N -2.149 112.402 114.554 -0.005 0.000 3.058 14 T HA 0.100 4.449 4.350 -0.001 0.000 0.278 14 T C 1.303 176.009 174.700 0.011 0.000 0.974 14 T CA 0.358 62.461 62.100 0.004 0.000 0.893 14 T CB 0.296 69.168 68.868 0.007 0.000 1.138 14 T HN 0.719 nan 8.240 nan 0.000 0.529 15 E N 2.125 122.330 120.200 0.009 0.000 2.435 15 E HA 0.062 4.411 4.350 -0.001 0.000 0.195 15 E C 0.866 177.477 176.600 0.017 0.000 1.029 15 E CA 0.071 56.481 56.400 0.018 0.000 0.865 15 E CB -0.206 29.503 29.700 0.016 0.000 0.833 15 E HN 0.533 nan 8.360 nan 0.000 0.510 16 S N 0.967 116.674 115.700 0.011 0.000 2.579 16 S HA 0.010 4.479 4.470 -0.001 0.000 0.275 16 S C 0.830 175.439 174.600 0.015 0.000 1.345 16 S CA -0.436 57.771 58.200 0.012 0.000 1.031 16 S CB 1.381 64.585 63.200 0.007 0.000 0.892 16 S HN 0.214 nan 8.310 nan 0.000 0.529 17 E N 1.283 121.493 120.200 0.016 0.000 2.160 17 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 17 E C 1.580 178.189 176.600 0.014 0.000 0.991 17 E CA 1.581 57.991 56.400 0.017 0.000 0.810 17 E CB -0.171 29.539 29.700 0.016 0.000 0.742 17 E HN 0.756 nan 8.360 nan 0.000 0.466 18 E N 0.198 120.405 120.200 0.012 0.000 2.204 18 E HA -0.163 4.187 4.350 -0.001 0.000 0.194 18 E C 1.703 178.309 176.600 0.010 0.000 0.989 18 E CA 0.785 57.191 56.400 0.010 0.000 0.824 18 E CB -0.068 29.637 29.700 0.008 0.000 0.756 18 E HN 0.135 nan 8.360 nan 0.000 0.477 19 M N -0.234 119.372 119.600 0.010 0.000 2.160 19 M HA 0.040 4.520 4.480 -0.001 0.000 0.264 19 M C 1.673 177.980 176.300 0.013 0.000 1.073 19 M CA 1.347 56.654 55.300 0.010 0.000 1.142 19 M CB -0.198 32.407 32.600 0.009 0.000 1.358 19 M HN 0.088 nan 8.290 nan 0.000 0.422 20 L N -0.471 120.761 121.223 0.016 0.000 2.012 20 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 20 L C 2.523 179.404 176.870 0.018 0.000 1.073 20 L CA 1.351 56.203 54.840 0.019 0.000 0.748 20 L CB -1.312 40.761 42.059 0.023 0.000 0.891 20 L HN 0.387 nan 8.230 nan 0.000 0.431 21 A N 0.150 122.980 122.820 0.016 0.000 1.948 21 A HA -0.246 4.074 4.320 -0.001 0.000 0.220 21 A C 2.326 179.919 177.584 0.015 0.000 1.177 21 A CA 1.932 53.979 52.037 0.016 0.000 0.636 21 A CB -0.409 18.600 19.000 0.015 0.000 0.815 21 A HN 0.381 nan 8.150 nan 0.000 0.449 22 K N -1.045 119.363 120.400 0.013 0.000 2.103 22 K HA 0.010 4.330 4.320 -0.001 0.000 0.204 22 K C 2.027 178.635 176.600 0.013 0.000 1.052 22 K CA 1.244 57.538 56.287 0.012 0.000 0.945 22 K CB -0.218 32.288 32.500 0.010 0.000 0.722 22 K HN 0.412 nan 8.250 nan 0.000 0.443 23 M N 0.751 120.359 119.600 0.014 0.000 2.229 23 M HA -0.114 4.366 4.480 -0.001 0.000 0.264 23 M C 2.159 178.468 176.300 0.016 0.000 1.063 23 M CA 1.385 56.693 55.300 0.015 0.000 1.114 23 M CB -0.549 32.061 32.600 0.016 0.000 1.387 23 M HN 0.183 nan 8.290 nan 0.000 0.420 24 L N -0.122 121.112 121.223 0.018 0.000 2.046 24 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 24 L C 2.063 178.944 176.870 0.018 0.000 1.077 24 L CA 1.131 55.982 54.840 0.019 0.000 0.747 24 L CB -0.781 41.291 42.059 0.021 0.000 0.896 24 L HN 0.255 nan 8.230 nan 0.000 0.432 25 D N 0.355 120.765 120.400 0.016 0.000 2.117 25 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 25 D C 2.199 178.508 176.300 0.015 0.000 0.987 25 D CA 1.482 55.491 54.000 0.016 0.000 0.829 25 D CB -0.074 40.735 40.800 0.014 0.000 0.961 25 D HN 0.292 nan 8.370 nan 0.000 0.460 26 A N -0.344 122.484 122.820 0.013 0.000 2.070 26 A HA 0.175 4.495 4.320 -0.001 0.000 0.220 26 A C 1.903 179.495 177.584 0.013 0.000 1.159 26 A CA 2.076 54.121 52.037 0.012 0.000 0.656 26 A CB -0.188 18.819 19.000 0.011 0.000 0.800 26 A HN 0.368 nan 8.150 nan 0.000 0.453 27 G N -2.694 106.115 108.800 0.015 0.000 2.425 27 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.177 27 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.177 27 G C 0.268 175.178 174.900 0.016 0.000 0.999 27 G CA 0.060 45.170 45.100 0.016 0.000 0.723 27 G HN 0.533 nan 8.290 nan 0.000 0.491 28 M N 0.852 120.462 119.600 0.016 0.000 2.252 28 M HA 0.377 4.857 4.480 -0.001 0.000 0.321 28 M C 0.986 177.297 176.300 0.019 0.000 1.070 28 M CA 1.319 56.629 55.300 0.016 0.000 1.143 28 M CB 0.207 32.819 32.600 0.018 0.000 1.498 28 M HN 0.226 nan 8.290 nan 0.000 0.445 29 N N 1.373 120.083 118.700 0.017 0.000 2.218 29 N HA 0.235 4.975 4.740 -0.001 0.000 0.224 29 N C -1.326 174.200 175.510 0.026 0.000 1.248 29 N CA -0.414 52.650 53.050 0.022 0.000 0.875 29 N CB 1.441 39.938 38.487 0.017 0.000 1.165 29 N HN 0.342 nan 8.380 nan 0.000 0.485 30 V N 1.385 121.310 119.914 0.018 0.000 2.971 30 V HA 0.364 4.484 4.120 -0.001 0.000 0.309 30 V C -1.195 174.918 176.094 0.031 0.000 1.130 30 V CA -0.714 61.602 62.300 0.027 0.000 0.964 30 V CB 2.594 34.414 31.823 -0.005 0.000 1.029 30 V HN 0.112 nan 8.190 nan 0.000 0.427 31 M N 4.304 123.933 119.600 0.048 0.000 2.088 31 M HA 0.539 5.019 4.480 -0.001 0.000 0.346 31 M C -0.179 176.166 176.300 0.076 0.000 1.111 31 M CA -0.385 54.951 55.300 0.060 0.000 1.017 31 M CB 0.668 33.310 32.600 0.070 0.000 1.568 31 M HN 0.762 nan 8.290 nan 0.000 0.445 32 R N 4.591 125.135 120.500 0.074 0.000 2.500 32 R HA 0.689 5.029 4.340 -0.001 0.000 0.277 32 R C -1.766 174.614 176.300 0.134 0.000 1.026 32 R CA -0.440 55.714 56.100 0.089 0.000 1.058 32 R CB 0.906 31.245 30.300 0.067 0.000 1.078 32 R HN 0.816 nan 8.270 nan 0.000 0.509 33 L N 3.499 124.825 121.223 0.170 0.000 2.406 33 L HA 0.310 4.650 4.340 -0.001 0.000 0.270 33 L C -0.863 176.164 176.870 0.262 0.000 0.982 33 L CA -0.936 54.049 54.840 0.243 0.000 0.843 33 L CB 1.779 44.021 42.059 0.305 0.000 1.225 33 L HN 0.620 nan 8.230 nan 0.000 0.412 34 N N 2.263 121.099 118.700 0.227 0.000 2.414 34 N HA 0.225 4.964 4.740 -0.001 0.000 0.256 34 N C 0.260 175.842 175.510 0.121 0.000 1.029 34 N CA -0.199 52.969 53.050 0.197 0.000 0.948 34 N CB 0.800 39.395 38.487 0.180 0.000 1.102 34 N HN 0.327 nan 8.380 nan 0.000 0.496 35 F N 1.244 121.166 119.950 -0.047 0.000 2.802 35 F HA 0.068 4.595 4.527 -0.000 0.000 0.300 35 F C 2.133 177.875 175.800 -0.097 0.000 1.168 35 F CA 0.281 58.230 58.000 -0.084 0.000 1.433 35 F CB 0.026 38.949 39.000 -0.128 0.000 1.115 35 F HN 0.472 nan 8.300 nan 0.000 0.582 36 S N -1.294 114.342 115.700 -0.107 0.000 2.507 36 S HA -0.043 4.426 4.470 -0.001 0.000 0.235 36 S C 0.289 174.414 174.600 -0.792 0.000 0.988 36 S CA 0.696 58.643 58.200 -0.421 0.000 0.944 36 S CB -0.402 62.498 63.200 -0.500 0.000 0.762 36 S HN 0.384 nan 8.310 nan 0.000 0.526 37 H N -2.347 116.670 119.070 -0.088 0.000 2.883 37 H HA 0.478 5.033 4.556 -0.001 0.000 0.277 37 H C 0.608 175.804 175.328 -0.219 0.000 1.451 37 H CA -0.361 55.609 56.048 -0.130 0.000 1.157 37 H CB 0.616 30.316 29.762 -0.104 0.000 1.851 37 H HN 0.253 nan 8.280 nan 0.000 0.566 38 G N 0.748 109.480 108.800 -0.113 0.000 2.553 38 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.242 38 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.242 38 G C -0.958 173.702 174.900 -0.400 0.000 1.277 38 G CA 0.712 45.597 45.100 -0.359 0.000 0.910 38 G HN 1.134 nan 8.290 nan 0.000 0.576 39 D N -3.279 116.794 120.400 -0.545 0.000 2.692 39 D HA 0.442 5.082 4.640 -0.001 0.000 0.290 39 D C 0.454 176.597 176.300 -0.262 0.000 1.281 39 D CA -0.448 53.278 54.000 -0.457 0.000 0.804 39 D CB -0.358 40.253 40.800 -0.314 0.000 1.331 39 D HN 0.370 nan 8.370 nan 0.000 0.432 40 Y N -0.028 120.238 120.300 -0.055 0.000 2.421 40 Y HA 0.228 4.778 4.550 -0.000 0.000 0.292 40 Y C 2.480 178.506 175.900 0.210 0.000 1.136 40 Y CA 1.031 59.134 58.100 0.004 0.000 1.255 40 Y CB -1.132 37.417 38.460 0.149 0.000 0.991 40 Y HN 0.586 nan 8.280 nan 0.000 0.552 41 A N 0.277 123.210 122.820 0.188 0.000 1.872 41 A HA -0.148 4.171 4.320 -0.001 0.000 0.214 41 A C 2.109 179.770 177.584 0.128 0.000 1.187 41 A CA 1.516 53.650 52.037 0.162 0.000 0.614 41 A CB -0.524 18.518 19.000 0.071 0.000 0.826 41 A HN 0.449 nan 8.150 nan 0.000 0.442 42 E N -0.752 119.454 120.200 0.011 0.000 2.007 42 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 42 E C 2.039 178.646 176.600 0.013 0.000 0.999 42 E CA 1.264 57.623 56.400 -0.069 0.000 0.811 42 E CB -0.446 29.100 29.700 -0.257 0.000 0.762 42 E HN 0.653 nan 8.360 nan 0.000 0.450 43 H N -0.206 118.900 119.070 0.060 0.000 2.357 43 H HA -0.110 4.445 4.556 -0.001 0.000 0.296 43 H C 2.246 177.786 175.328 0.354 0.000 1.108 43 H CA 1.536 57.690 56.048 0.175 0.000 1.273 43 H CB -0.667 29.198 29.762 0.171 0.000 1.367 43 H HN 0.324 nan 8.280 nan 0.000 0.498 44 G N -0.051 109.114 108.800 0.608 0.000 2.471 44 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.219 44 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.219 44 G C 1.779 176.827 174.900 0.248 0.000 1.125 44 G CA 0.701 46.092 45.100 0.486 0.000 0.775 44 G HN 0.335 nan 8.290 nan 0.000 0.548 45 Q N 0.046 119.966 119.800 0.200 0.000 2.212 45 Q HA 0.173 4.513 4.340 -0.001 0.000 0.199 45 Q C 2.445 178.508 176.000 0.104 0.000 0.950 45 Q CA 0.766 56.639 55.803 0.117 0.000 0.863 45 Q CB -0.153 28.633 28.738 0.079 0.000 0.944 45 Q HN 0.358 nan 8.270 nan 0.000 0.465 46 R N 0.091 120.669 120.500 0.130 0.000 2.082 46 R HA -0.050 4.290 4.340 -0.001 0.000 0.234 46 R C 2.054 178.427 176.300 0.123 0.000 1.136 46 R CA 2.019 58.190 56.100 0.119 0.000 0.935 46 R CB -0.584 29.814 30.300 0.164 0.000 0.842 46 R HN 0.376 nan 8.270 nan 0.000 0.430 47 I N 0.345 121.018 120.570 0.172 0.000 2.264 47 I HA -0.302 3.868 4.170 -0.001 0.000 0.248 47 I C 2.421 178.582 176.117 0.072 0.000 1.111 47 I CA 1.416 62.792 61.300 0.126 0.000 1.382 47 I CB -0.413 37.674 38.000 0.144 0.000 1.060 47 I HN 0.335 nan 8.210 nan 0.000 0.418 48 Q N 1.667 121.513 119.800 0.077 0.000 2.050 48 Q HA -0.208 4.132 4.340 -0.001 0.000 0.202 48 Q C 1.891 177.913 176.000 0.037 0.000 0.980 48 Q CA 1.905 57.735 55.803 0.046 0.000 0.840 48 Q CB -0.178 28.589 28.738 0.048 0.000 0.898 48 Q HN 0.424 nan 8.270 nan 0.000 0.424 49 N N 0.051 118.778 118.700 0.044 0.000 2.104 49 N HA -0.171 4.569 4.740 -0.001 0.000 0.190 49 N C 1.554 177.082 175.510 0.029 0.000 1.024 49 N CA 1.260 54.331 53.050 0.035 0.000 0.853 49 N CB -0.534 37.976 38.487 0.037 0.000 1.008 49 N HN 0.261 nan 8.380 nan 0.000 0.424 50 L N 2.038 123.280 121.223 0.033 0.000 1.994 50 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 50 L C 2.123 178.998 176.870 0.007 0.000 1.071 50 L CA 1.594 56.447 54.840 0.021 0.000 0.745 50 L CB -0.377 41.696 42.059 0.023 0.000 0.892 50 L HN 0.098 nan 8.230 nan 0.000 0.431 51 R N -0.626 119.874 120.500 0.001 0.000 2.152 51 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 51 R C 1.820 178.124 176.300 0.007 0.000 1.117 51 R CA 1.274 57.369 56.100 -0.008 0.000 0.981 51 R CB -0.890 29.401 30.300 -0.015 0.000 0.870 51 R HN 0.466 nan 8.270 nan 0.000 0.451 52 N N 0.677 119.385 118.700 0.013 0.000 2.216 52 N HA -0.072 4.667 4.740 -0.001 0.000 0.183 52 N C 1.920 177.440 175.510 0.016 0.000 1.017 52 N CA 0.750 53.810 53.050 0.015 0.000 0.861 52 N CB -0.235 38.262 38.487 0.017 0.000 0.986 52 N HN -0.018 nan 8.380 nan 0.000 0.428 53 V N 1.775 121.699 119.914 0.016 0.000 2.295 53 V HA -0.217 3.902 4.120 -0.001 0.000 0.246 53 V C 2.322 178.427 176.094 0.019 0.000 1.049 53 V CA 1.363 63.673 62.300 0.017 0.000 1.024 53 V CB -0.440 31.393 31.823 0.018 0.000 0.648 53 V HN 0.277 nan 8.190 nan 0.000 0.447 54 M N -0.327 119.284 119.600 0.019 0.000 2.073 54 M HA -0.211 4.269 4.480 -0.001 0.000 0.258 54 M C 2.454 178.772 176.300 0.030 0.000 1.070 54 M CA 2.297 57.613 55.300 0.026 0.000 1.103 54 M CB -0.712 31.902 32.600 0.025 0.000 1.321 54 M HN 0.350 nan 8.290 nan 0.000 0.405 55 S N 0.638 116.354 115.700 0.027 0.000 2.354 55 S HA -0.188 4.282 4.470 -0.001 0.000 0.219 55 S C 2.387 177.000 174.600 0.021 0.000 1.035 55 S CA 2.193 60.409 58.200 0.026 0.000 1.037 55 S CB -0.830 62.383 63.200 0.021 0.000 0.956 55 S HN 0.589 nan 8.310 nan 0.000 0.428 56 K N 0.796 121.207 120.400 0.019 0.000 2.362 56 K HA -0.115 4.204 4.320 -0.001 0.000 0.202 56 K C 1.800 178.410 176.600 0.017 0.000 1.045 56 K CA 1.905 58.202 56.287 0.017 0.000 0.936 56 K CB -1.271 31.238 32.500 0.015 0.000 0.747 56 K HN 0.746 nan 8.250 nan 0.000 0.467 57 T N -6.880 107.686 114.554 0.020 0.000 3.087 57 T HA 0.402 4.751 4.350 -0.001 0.000 0.283 57 T C 1.698 176.411 174.700 0.022 0.000 0.956 57 T CA 1.070 63.182 62.100 0.020 0.000 0.894 57 T CB 0.445 69.325 68.868 0.020 0.000 1.160 57 T HN 1.361 nan 8.240 nan 0.000 0.532 58 G N 2.095 110.911 108.800 0.026 0.000 2.184 58 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.264 58 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.264 58 G C 0.037 174.956 174.900 0.033 0.000 0.975 58 G CA 0.388 45.505 45.100 0.028 0.000 0.642 58 G HN 0.708 nan 8.290 nan 0.000 0.536 59 K N 1.150 121.570 120.400 0.033 0.000 2.295 59 K HA 0.473 4.793 4.320 -0.001 0.000 0.270 59 K C 0.371 177.002 176.600 0.052 0.000 1.011 59 K CA 0.479 56.789 56.287 0.037 0.000 0.953 59 K CB 0.587 33.105 32.500 0.031 0.000 0.956 59 K HN 0.200 nan 8.250 nan 0.000 0.477 60 T N 0.426 115.017 114.554 0.062 0.000 2.952 60 T HA 0.736 5.086 4.350 -0.001 0.000 0.286 60 T C -0.770 173.978 174.700 0.081 0.000 1.024 60 T CA -0.879 61.280 62.100 0.097 0.000 1.029 60 T CB 1.733 70.663 68.868 0.103 0.000 1.094 60 T HN 0.696 nan 8.240 nan 0.000 0.515 61 A N 0.324 123.199 122.820 0.093 0.000 2.586 61 A HA 0.734 5.054 4.320 -0.001 0.000 0.296 61 A C -0.952 176.648 177.584 0.026 0.000 1.040 61 A CA -0.581 51.487 52.037 0.051 0.000 0.701 61 A CB 0.313 19.325 19.000 0.019 0.000 1.277 61 A HN 1.182 nan 8.150 nan 0.000 0.413 62 A N 0.826 123.687 122.820 0.068 0.000 2.261 62 A HA 0.945 5.265 4.320 -0.001 0.000 0.323 62 A C -0.398 177.234 177.584 0.081 0.000 1.107 62 A CA -0.560 51.540 52.037 0.104 0.000 0.883 62 A CB 0.561 19.715 19.000 0.257 0.000 1.251 62 A HN 1.096 nan 8.150 nan 0.000 0.502 63 I N 0.218 120.859 120.570 0.119 0.000 2.569 63 I HA 0.415 4.584 4.170 -0.001 0.000 0.290 63 I C -1.195 175.037 176.117 0.192 0.000 1.088 63 I CA -0.240 61.127 61.300 0.110 0.000 1.047 63 I CB 1.911 39.944 38.000 0.055 0.000 1.237 63 I HN 0.583 nan 8.210 nan 0.000 0.421 64 L N 7.065 128.391 121.223 0.171 0.000 2.385 64 L HA 0.631 4.971 4.340 -0.001 0.000 0.273 64 L C -1.638 175.305 176.870 0.122 0.000 0.990 64 L CA -0.660 54.291 54.840 0.186 0.000 0.821 64 L CB 2.313 44.439 42.059 0.112 0.000 1.279 64 L HN 0.607 nan 8.230 nan 0.000 0.412 65 L N 4.656 125.931 121.223 0.087 0.000 2.305 65 L HA 0.491 4.830 4.340 -0.001 0.000 0.284 65 L C -1.051 175.833 176.870 0.022 0.000 1.013 65 L CA -0.473 54.379 54.840 0.020 0.000 0.819 65 L CB 1.335 43.298 42.059 -0.161 0.000 1.227 65 L HN 0.605 nan 8.230 nan 0.000 0.417 66 D N 3.662 124.114 120.400 0.086 0.000 2.313 66 D HA 0.168 4.808 4.640 -0.001 0.000 0.239 66 D C -0.308 176.045 176.300 0.090 0.000 1.142 66 D CA -0.027 54.023 54.000 0.084 0.000 0.847 66 D CB 1.522 42.382 40.800 0.100 0.000 1.082 66 D HN 0.521 nan 8.370 nan 0.000 0.480 67 T N 3.290 117.869 114.554 0.041 0.000 2.926 67 T HA -0.009 4.340 4.350 -0.001 0.000 0.307 67 T C 1.415 176.146 174.700 0.050 0.000 1.059 67 T CA -0.044 62.075 62.100 0.033 0.000 1.122 67 T CB 1.368 70.240 68.868 0.006 0.000 0.972 67 T HN 0.423 nan 8.240 nan 0.000 0.545 68 K N 1.966 122.393 120.400 0.044 0.000 2.007 68 K HA 0.172 4.491 4.320 -0.001 0.000 0.206 68 K C 0.983 177.585 176.600 0.004 0.000 1.047 68 K CA 1.087 57.380 56.287 0.010 0.000 0.937 68 K CB -0.489 32.003 32.500 -0.012 0.000 0.718 68 K HN 0.947 nan 8.250 nan 0.000 0.438 69 G N 1.128 109.932 108.800 0.007 0.000 2.758 69 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.686 69 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.686 69 G C -2.721 172.160 174.900 -0.033 0.000 1.389 69 G CA -0.447 44.662 45.100 0.014 0.000 0.845 69 G HN 0.256 nan 8.290 nan 0.000 0.572 70 P HA 0.364 nan 4.420 nan 0.000 0.269 70 P C -0.293 176.857 177.300 -0.251 0.000 1.215 70 P CA 0.482 63.508 63.100 -0.124 0.000 0.780 70 P CB 0.907 32.535 31.700 -0.120 0.000 0.898 71 E N 0.898 120.947 120.200 -0.252 0.000 2.354 71 E HA 0.400 4.750 4.350 -0.001 0.000 0.283 71 E C -0.736 175.732 176.600 -0.220 0.000 0.938 71 E CA -0.638 55.595 56.400 -0.279 0.000 0.777 71 E CB 1.800 31.399 29.700 -0.167 0.000 1.222 71 E HN 0.356 nan 8.360 nan 0.000 0.423 72 I N 2.089 122.523 120.570 -0.227 0.000 2.498 72 I HA 0.513 4.683 4.170 -0.001 0.000 0.301 72 I C -0.005 176.066 176.117 -0.076 0.000 0.984 72 I CA -0.536 60.701 61.300 -0.105 0.000 1.204 72 I CB 1.187 39.175 38.000 -0.020 0.000 1.362 72 I HN 0.252 nan 8.210 nan 0.000 0.471 73 R N 1.960 122.435 120.500 -0.041 0.000 2.668 73 R HA 0.404 4.743 4.340 -0.001 0.000 0.272 73 R C -1.009 175.275 176.300 -0.027 0.000 1.019 73 R CA -0.812 55.267 56.100 -0.034 0.000 0.894 73 R CB 2.415 32.701 30.300 -0.023 0.000 1.228 73 R HN 0.723 nan 8.270 nan 0.000 0.460 74 T N -0.591 113.964 114.554 0.002 0.000 2.909 74 T HA 0.402 4.751 4.350 -0.001 0.000 0.289 74 T C 0.995 175.716 174.700 0.034 0.000 1.005 74 T CA -0.739 61.391 62.100 0.050 0.000 1.084 74 T CB 0.952 69.887 68.868 0.112 0.000 0.975 74 T HN 0.230 nan 8.240 nan 0.000 0.509 75 M N 0.983 120.607 119.600 0.040 0.000 2.313 75 M HA 0.373 4.853 4.480 -0.001 0.000 0.213 75 M C 0.625 176.941 176.300 0.026 0.000 0.894 75 M CA -0.379 54.935 55.300 0.024 0.000 1.871 75 M CB -0.236 32.374 32.600 0.017 0.000 1.110 75 M HN 0.587 nan 8.290 nan 0.000 0.905 76 K N 1.771 122.181 120.400 0.018 0.000 2.172 76 K HA 0.587 4.906 4.320 -0.001 0.000 0.276 76 K C -0.899 175.710 176.600 0.016 0.000 1.013 76 K CA -0.246 56.050 56.287 0.014 0.000 0.913 76 K CB 0.988 33.492 32.500 0.006 0.000 1.055 76 K HN 0.424 nan 8.250 nan 0.000 0.461 77 L N 2.292 123.526 121.223 0.017 0.000 2.325 77 L HA 0.263 4.603 4.340 -0.001 0.000 0.278 77 L C 0.375 177.250 176.870 0.009 0.000 1.023 77 L CA -0.867 53.984 54.840 0.018 0.000 0.811 77 L CB 1.223 43.297 42.059 0.026 0.000 1.249 77 L HN 0.531 nan 8.230 nan 0.000 0.431 78 E N 1.837 122.039 120.200 0.005 0.000 2.652 78 E HA 0.007 4.357 4.350 -0.001 0.000 0.255 78 E C 1.021 177.622 176.600 0.001 0.000 0.952 78 E CA 0.849 57.249 56.400 -0.000 0.000 0.947 78 E CB 0.229 29.927 29.700 -0.004 0.000 0.912 78 E HN 0.900 nan 8.360 nan 0.000 0.489 79 G N 3.279 112.079 108.800 -0.001 0.000 2.212 79 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.267 79 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.267 79 G C 0.901 175.802 174.900 0.001 0.000 1.002 79 G CA 0.581 45.681 45.100 -0.001 0.000 0.729 79 G HN 1.261 nan 8.290 nan 0.000 0.517 80 G N -1.475 107.327 108.800 0.003 0.000 2.258 80 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.274 80 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.274 80 G C 0.083 174.986 174.900 0.005 0.000 1.021 80 G CA 0.710 45.813 45.100 0.004 0.000 0.798 80 G HN 1.103 nan 8.290 nan 0.000 0.507 81 N N 0.519 119.223 118.700 0.006 0.000 2.430 81 N HA 0.413 5.153 4.740 -0.001 0.000 0.292 81 N C -0.892 174.624 175.510 0.010 0.000 1.051 81 N CA -1.019 52.035 53.050 0.006 0.000 0.917 81 N CB 0.870 39.360 38.487 0.005 0.000 1.164 81 N HN 0.057 nan 8.380 nan 0.000 0.484 82 D N 1.260 121.665 120.400 0.008 0.000 2.424 82 D HA 0.095 4.734 4.640 -0.001 0.000 0.244 82 D C 0.120 176.427 176.300 0.011 0.000 1.134 82 D CA -0.045 53.960 54.000 0.009 0.000 0.881 82 D CB 0.916 41.718 40.800 0.003 0.000 1.191 82 D HN 0.170 nan 8.370 nan 0.000 0.445 83 V N -0.868 119.056 119.914 0.017 0.000 2.975 83 V HA 0.736 4.855 4.120 -0.001 0.000 0.318 83 V C -0.122 175.977 176.094 0.009 0.000 1.077 83 V CA -0.774 61.538 62.300 0.021 0.000 1.000 83 V CB 2.093 33.943 31.823 0.045 0.000 1.066 83 V HN 0.371 nan 8.190 nan 0.000 0.452 84 S N 3.482 119.188 115.700 0.009 0.000 2.456 84 S HA 0.671 5.141 4.470 -0.001 0.000 0.316 84 S C -0.416 174.183 174.600 -0.002 0.000 1.089 84 S CA -0.519 57.679 58.200 -0.003 0.000 1.101 84 S CB 0.807 64.006 63.200 -0.001 0.000 0.995 84 S HN 0.673 nan 8.310 nan 0.000 0.468 85 L N 2.839 124.045 121.223 -0.029 0.000 2.312 85 L HA 0.573 4.912 4.340 -0.001 0.000 0.281 85 L C 0.575 177.433 176.870 -0.021 0.000 1.070 85 L CA -0.695 54.125 54.840 -0.034 0.000 0.805 85 L CB 0.525 42.504 42.059 -0.133 0.000 1.174 85 L HN 0.624 nan 8.230 nan 0.000 0.434 86 K N 2.301 122.702 120.400 0.002 0.000 2.159 86 K HA 0.783 5.103 4.320 -0.001 0.000 0.266 86 K C 0.108 176.713 176.600 0.008 0.000 0.975 86 K CA -0.178 56.112 56.287 0.005 0.000 0.865 86 K CB 1.448 33.956 32.500 0.012 0.000 1.087 86 K HN 0.766 nan 8.250 nan 0.000 0.446 87 A N 0.316 123.140 122.820 0.005 0.000 2.555 87 A HA 0.479 4.798 4.320 -0.001 0.000 0.233 87 A C 1.878 179.473 177.584 0.018 0.000 1.060 87 A CA 1.221 53.264 52.037 0.010 0.000 0.759 87 A CB -0.795 18.210 19.000 0.008 0.000 0.995 87 A HN 2.500 nan 8.150 nan 0.000 0.506 88 G N 0.348 109.162 108.800 0.023 0.000 2.353 88 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.258 88 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.258 88 G C 0.563 175.483 174.900 0.034 0.000 1.013 88 G CA 1.099 46.215 45.100 0.028 0.000 0.622 88 G HN 1.639 nan 8.290 nan 0.000 0.535 89 Q N 0.634 120.456 119.800 0.037 0.000 2.535 89 Q HA 0.548 4.887 4.340 -0.001 0.000 0.228 89 Q C -0.069 175.972 176.000 0.067 0.000 1.062 89 Q CA 0.475 56.305 55.803 0.046 0.000 0.967 89 Q CB 0.328 29.098 28.738 0.052 0.000 1.273 89 Q HN 0.210 nan 8.270 nan 0.000 0.554 90 T N 1.215 115.809 114.554 0.066 0.000 2.910 90 T HA 0.521 4.871 4.350 -0.001 0.000 0.293 90 T C -1.186 173.593 174.700 0.133 0.000 1.015 90 T CA -0.176 61.968 62.100 0.074 0.000 1.094 90 T CB 0.219 69.104 68.868 0.029 0.000 0.968 90 T HN 0.457 nan 8.240 nan 0.000 0.521 91 F N 0.802 120.712 119.950 -0.066 0.000 2.650 91 F HA 0.438 4.965 4.527 -0.001 0.000 0.310 91 F C -1.083 174.607 175.800 -0.184 0.000 1.112 91 F CA -0.496 57.411 58.000 -0.155 0.000 0.986 91 F CB 1.832 40.711 39.000 -0.202 0.000 1.285 91 F HN 0.481 nan 8.300 nan 0.000 0.440 92 T N 5.363 119.461 114.554 -0.760 0.000 2.879 92 T HA 0.531 4.880 4.350 -0.001 0.000 0.290 92 T C -1.175 173.141 174.700 -0.640 0.000 0.993 92 T CA -0.318 61.488 62.100 -0.490 0.000 0.975 92 T CB 0.797 69.425 68.868 -0.399 0.000 0.981 92 T HN 0.276 nan 8.240 nan 0.000 0.439 93 F N 1.779 121.713 119.950 -0.027 0.000 2.399 93 F HA 0.653 5.180 4.527 -0.001 0.000 0.334 93 F C 1.055 176.812 175.800 -0.072 0.000 1.097 93 F CA -0.511 57.462 58.000 -0.047 0.000 1.076 93 F CB 1.774 40.738 39.000 -0.061 0.000 1.162 93 F HN 0.394 nan 8.300 nan 0.000 0.495 94 T N 0.419 115.015 114.554 0.070 0.000 2.900 94 T HA 0.284 4.634 4.350 -0.001 0.000 0.295 94 T C 0.653 175.354 174.700 0.001 0.000 1.044 94 T CA -0.445 61.669 62.100 0.023 0.000 0.995 94 T CB 1.523 70.376 68.868 -0.024 0.000 1.072 94 T HN 0.628 nan 8.240 nan 0.000 0.473 95 T N 2.122 116.683 114.554 0.011 0.000 3.023 95 T HA 0.051 4.401 4.350 -0.001 0.000 0.266 95 T C 0.462 175.156 174.700 -0.010 0.000 1.093 95 T CA 0.567 62.666 62.100 -0.001 0.000 1.129 95 T CB -0.242 68.631 68.868 0.008 0.000 0.899 95 T HN 0.639 nan 8.240 nan 0.000 0.491 96 D N 1.561 121.955 120.400 -0.010 0.000 2.344 96 D HA 0.111 4.751 4.640 -0.001 0.000 0.253 96 D C 0.949 177.243 176.300 -0.011 0.000 1.255 96 D CA 0.053 54.046 54.000 -0.011 0.000 0.894 96 D CB 0.670 41.461 40.800 -0.014 0.000 1.067 96 D HN 0.056 nan 8.370 nan 0.000 0.492 97 K N 1.432 121.827 120.400 -0.008 0.000 2.360 97 K HA -0.105 4.215 4.320 -0.001 0.000 0.201 97 K C 1.744 178.341 176.600 -0.006 0.000 1.046 97 K CA 0.819 57.103 56.287 -0.005 0.000 0.940 97 K CB 0.230 32.730 32.500 -0.000 0.000 0.748 97 K HN 0.317 nan 8.250 nan 0.000 0.465 98 S N 0.600 116.294 115.700 -0.009 0.000 2.368 98 S HA -0.062 4.408 4.470 -0.001 0.000 0.224 98 S C 0.759 175.352 174.600 -0.013 0.000 1.029 98 S CA 0.483 58.677 58.200 -0.010 0.000 0.988 98 S CB -0.100 63.093 63.200 -0.011 0.000 0.838 98 S HN 0.022 nan 8.310 nan 0.000 0.462 99 V N 4.178 124.081 119.914 -0.018 0.000 2.584 99 V HA -0.024 4.096 4.120 -0.001 0.000 0.303 99 V C 0.239 176.320 176.094 -0.023 0.000 1.035 99 V CA 0.157 62.441 62.300 -0.026 0.000 1.172 99 V CB -0.511 31.290 31.823 -0.037 0.000 0.896 99 V HN 0.317 nan 8.190 nan 0.000 0.486 100 I N 4.911 125.467 120.570 -0.024 0.000 2.352 100 I HA 0.311 4.480 4.170 -0.001 0.000 0.290 100 I C 1.194 177.295 176.117 -0.027 0.000 1.036 100 I CA 0.509 61.798 61.300 -0.018 0.000 1.336 100 I CB 0.698 38.689 38.000 -0.015 0.000 1.407 100 I HN 0.772 nan 8.210 nan 0.000 0.497 101 G N 5.973 114.764 108.800 -0.014 0.000 2.712 101 G HA2 0.318 4.278 3.960 -0.001 0.000 0.258 101 G HA3 0.318 4.278 3.960 -0.001 0.000 0.258 101 G C -0.064 174.830 174.900 -0.010 0.000 1.241 101 G CA -0.088 45.003 45.100 -0.015 0.000 0.923 101 G HN 0.858 nan 8.290 nan 0.000 0.548 102 N N -4.170 114.529 118.700 -0.001 0.000 3.405 102 N HA 0.104 4.844 4.740 -0.001 0.000 0.292 102 N C 0.569 176.117 175.510 0.064 0.000 1.456 102 N CA 0.119 53.177 53.050 0.013 0.000 0.861 102 N CB 0.257 38.730 38.487 -0.023 0.000 1.643 102 N HN 0.550 nan 8.380 nan 0.000 0.474 103 S N -1.762 113.977 115.700 0.065 0.000 2.603 103 S HA 0.036 4.506 4.470 -0.001 0.000 0.229 103 S C 0.518 175.177 174.600 0.098 0.000 0.972 103 S CA 1.003 59.281 58.200 0.131 0.000 0.935 103 S CB -0.396 62.851 63.200 0.079 0.000 0.769 103 S HN 0.542 nan 8.310 nan 0.000 0.536 104 E N 0.591 120.743 120.200 -0.079 0.000 2.251 104 E HA 0.394 4.743 4.350 -0.001 0.000 0.194 104 E C 0.588 176.808 176.600 -0.634 0.000 0.964 104 E CA 0.626 56.893 56.400 -0.221 0.000 0.868 104 E CB 0.449 30.057 29.700 -0.154 0.000 0.828 104 E HN 0.830 nan 8.360 nan 0.000 0.481 105 M N -1.875 117.297 119.600 -0.713 0.000 3.012 105 M HA 0.507 4.986 4.480 -0.001 0.000 0.272 105 M C -1.982 173.916 176.300 -0.670 0.000 1.187 105 M CA -0.819 53.814 55.300 -1.111 0.000 0.813 105 M CB 1.751 33.992 32.600 -0.599 0.000 1.626 105 M HN -0.179 nan 8.290 nan 0.000 0.507 106 V N 0.804 120.410 119.914 -0.514 0.000 3.147 106 V HA 0.904 5.023 4.120 -0.001 0.000 0.299 106 V C -1.447 174.634 176.094 -0.023 0.000 1.302 106 V CA 0.015 62.251 62.300 -0.106 0.000 1.015 106 V CB 2.340 34.260 31.823 0.160 0.000 1.086 106 V HN 1.301 nan 8.190 nan 0.000 0.437 107 A N 3.629 126.457 122.820 0.014 0.000 2.303 107 A HA 0.868 5.187 4.320 -0.001 0.000 0.317 107 A C -0.498 177.102 177.584 0.025 0.000 1.149 107 A CA -0.091 51.952 52.037 0.011 0.000 0.822 107 A CB 1.336 20.332 19.000 -0.006 0.000 1.131 107 A HN 1.777 nan 8.150 nan 0.000 0.493 108 V N -0.048 119.845 119.914 -0.035 0.000 2.715 108 V HA 0.603 4.722 4.120 -0.001 0.000 0.310 108 V C 1.011 177.088 176.094 -0.029 0.000 1.054 108 V CA 0.101 62.346 62.300 -0.092 0.000 0.928 108 V CB 0.786 32.398 31.823 -0.352 0.000 1.007 108 V HN 1.133 nan 8.190 nan 0.000 0.437 109 T N -1.075 113.481 114.554 0.003 0.000 3.051 109 T HA -0.088 4.262 4.350 -0.001 0.000 0.269 109 T C 0.465 175.242 174.700 0.128 0.000 1.127 109 T CA 1.298 63.426 62.100 0.046 0.000 1.107 109 T CB -0.544 68.346 68.868 0.035 0.000 0.898 109 T HN 0.864 nan 8.240 nan 0.000 0.517 110 Y N 1.903 122.194 120.300 -0.015 0.000 2.595 110 Y HA 0.398 4.948 4.550 -0.001 0.000 0.336 110 Y C 1.229 177.194 175.900 0.109 0.000 0.996 110 Y CA -1.692 56.443 58.100 0.059 0.000 1.260 110 Y CB 0.726 39.240 38.460 0.091 0.000 1.108 110 Y HN 0.163 nan 8.280 nan 0.000 0.509 111 E N 2.996 123.072 120.200 -0.208 0.000 2.233 111 E HA -0.212 4.137 4.350 -0.001 0.000 0.199 111 E C 1.574 177.903 176.600 -0.452 0.000 1.004 111 E CA 1.505 57.750 56.400 -0.259 0.000 0.819 111 E CB -0.096 29.521 29.700 -0.139 0.000 0.738 111 E HN 1.018 nan 8.360 nan 0.000 0.478 112 G N -0.679 107.432 108.800 -1.150 0.000 2.985 112 G HA2 -0.122 3.837 3.960 -0.001 0.000 0.209 112 G HA3 -0.122 3.837 3.960 -0.001 0.000 0.209 112 G C 0.972 175.544 174.900 -0.547 0.000 1.165 112 G CA -0.243 44.274 45.100 -0.971 0.000 0.776 112 G HN 0.279 nan 8.290 nan 0.000 0.541 113 F N 2.789 122.414 119.950 -0.542 0.000 2.091 113 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 113 F C 3.060 178.857 175.800 -0.005 0.000 1.103 113 F CA 2.333 60.325 58.000 -0.014 0.000 1.228 113 F CB -0.248 38.776 39.000 0.040 0.000 0.984 113 F HN 0.242 nan 8.300 nan 0.000 0.477 114 T N -3.493 111.136 114.554 0.124 0.000 2.788 114 T HA -0.174 4.176 4.350 -0.001 0.000 0.268 114 T C 1.870 176.568 174.700 -0.003 0.000 1.044 114 T CA 1.860 64.005 62.100 0.076 0.000 1.139 114 T CB -1.026 67.883 68.868 0.068 0.000 0.867 114 T HN 0.274 nan 8.240 nan 0.000 0.454 115 T N 1.973 116.509 114.554 -0.029 0.000 2.668 115 T HA -0.058 4.291 4.350 -0.001 0.000 0.258 115 T C 1.772 176.458 174.700 -0.024 0.000 1.051 115 T CA 1.361 63.446 62.100 -0.026 0.000 1.155 115 T CB -0.634 68.213 68.868 -0.034 0.000 0.864 115 T HN 0.390 nan 8.240 nan 0.000 0.413 116 D N 0.754 121.145 120.400 -0.016 0.000 2.149 116 D HA -0.006 4.634 4.640 -0.001 0.000 0.198 116 D C 1.042 177.305 176.300 -0.062 0.000 0.990 116 D CA 0.419 54.414 54.000 -0.009 0.000 0.839 116 D CB -0.478 40.354 40.800 0.054 0.000 0.948 116 D HN 0.120 nan 8.370 nan 0.000 0.460 117 L N 0.237 121.381 121.223 -0.132 0.000 2.394 117 L HA 0.116 4.456 4.340 -0.001 0.000 0.229 117 L C 0.378 177.207 176.870 -0.068 0.000 1.225 117 L CA 0.399 55.148 54.840 -0.153 0.000 0.829 117 L CB 0.216 42.097 42.059 -0.296 0.000 1.195 117 L HN -0.114 nan 8.230 nan 0.000 0.548 118 S N -1.966 113.706 115.700 -0.048 0.000 2.580 118 S HA 0.379 4.849 4.470 -0.001 0.000 0.281 118 S C -1.082 173.521 174.600 0.005 0.000 1.129 118 S CA -0.950 57.242 58.200 -0.013 0.000 0.862 118 S CB 1.111 64.304 63.200 -0.011 0.000 1.090 118 S HN 0.256 nan 8.310 nan 0.000 0.451 119 V N 2.008 121.933 119.914 0.019 0.000 2.872 119 V HA 0.496 4.615 4.120 -0.001 0.000 0.307 119 V C 1.605 177.712 176.094 0.023 0.000 1.072 119 V CA 1.630 63.948 62.300 0.030 0.000 1.148 119 V CB 0.315 32.158 31.823 0.033 0.000 0.954 119 V HN 1.608 nan 8.190 nan 0.000 0.490 120 G N 3.463 112.280 108.800 0.029 0.000 2.345 120 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 120 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 120 G C 0.238 175.151 174.900 0.023 0.000 1.058 120 G CA 0.190 45.305 45.100 0.024 0.000 0.632 120 G HN 0.682 nan 8.290 nan 0.000 0.508 121 N N 0.903 119.612 118.700 0.016 0.000 2.340 121 N HA 0.430 5.170 4.740 -0.001 0.000 0.236 121 N C -0.303 175.221 175.510 0.023 0.000 1.296 121 N CA 1.007 54.061 53.050 0.008 0.000 0.896 121 N CB 0.361 38.837 38.487 -0.017 0.000 1.127 121 N HN 0.218 nan 8.380 nan 0.000 0.442 122 T N 1.007 115.571 114.554 0.018 0.000 2.794 122 T HA 0.379 4.729 4.350 -0.001 0.000 0.280 122 T C -0.343 174.374 174.700 0.028 0.000 0.987 122 T CA -0.630 61.490 62.100 0.033 0.000 0.993 122 T CB 1.113 69.998 68.868 0.028 0.000 0.939 122 T HN 0.057 nan 8.240 nan 0.000 0.449 123 V N 4.832 124.782 119.914 0.061 0.000 2.547 123 V HA 0.574 4.693 4.120 -0.001 0.000 0.299 123 V C -0.387 175.748 176.094 0.069 0.000 1.040 123 V CA -0.877 61.462 62.300 0.064 0.000 0.913 123 V CB 1.504 33.405 31.823 0.131 0.000 0.992 123 V HN 0.713 nan 8.190 nan 0.000 0.449 124 L N 4.615 125.865 121.223 0.044 0.000 2.415 124 L HA 0.527 4.866 4.340 -0.001 0.000 0.268 124 L C -0.674 176.214 176.870 0.031 0.000 0.984 124 L CA -0.535 54.329 54.840 0.039 0.000 0.853 124 L CB 1.918 43.995 42.059 0.030 0.000 1.215 124 L HN 0.373 nan 8.230 nan 0.000 0.419 125 V N 1.993 121.932 119.914 0.041 0.000 2.607 125 V HA 0.206 4.325 4.120 -0.001 0.000 0.289 125 V C 0.168 176.269 176.094 0.012 0.000 1.053 125 V CA -0.281 62.039 62.300 0.034 0.000 0.996 125 V CB 1.388 33.248 31.823 0.061 0.000 0.995 125 V HN 0.851 nan 8.190 nan 0.000 0.476 126 D N 4.041 124.447 120.400 0.011 0.000 4.307 126 D HA -0.187 4.453 4.640 -0.001 0.000 0.231 126 D C 0.426 176.729 176.300 0.005 0.000 1.031 126 D CA 0.748 54.751 54.000 0.005 0.000 1.233 126 D CB -0.379 40.421 40.800 0.001 0.000 0.755 126 D HN 0.897 nan 8.370 nan 0.000 0.379 127 D N 2.448 122.852 120.400 0.006 0.000 2.739 127 D HA -0.185 4.454 4.640 -0.001 0.000 0.230 127 D C 1.320 177.627 176.300 0.011 0.000 1.167 127 D CA 2.384 56.390 54.000 0.009 0.000 0.640 127 D CB -1.408 39.398 40.800 0.010 0.000 1.045 127 D HN 1.096 nan 8.370 nan 0.000 0.421 128 G N -1.043 107.765 108.800 0.012 0.000 2.153 128 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.252 128 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.252 128 G C 0.958 175.863 174.900 0.008 0.000 0.994 128 G CA 0.621 45.729 45.100 0.014 0.000 0.698 128 G HN 0.521 nan 8.290 nan 0.000 0.521 129 L N -0.271 120.954 121.223 0.003 0.000 2.083 129 L HA 0.369 4.708 4.340 -0.001 0.000 0.209 129 L C 1.156 178.021 176.870 -0.007 0.000 1.083 129 L CA 1.766 56.604 54.840 -0.003 0.000 0.752 129 L CB 0.084 42.138 42.059 -0.008 0.000 0.899 129 L HN 0.433 nan 8.230 nan 0.000 0.433 130 I N -0.480 120.086 120.570 -0.007 0.000 2.569 130 I HA 0.441 4.611 4.170 -0.001 0.000 0.290 130 I C 0.180 176.301 176.117 0.007 0.000 1.088 130 I CA -0.570 60.721 61.300 -0.014 0.000 1.047 130 I CB 1.619 39.588 38.000 -0.052 0.000 1.237 130 I HN 0.020 nan 8.210 nan 0.000 0.421 131 G N 6.439 115.247 108.800 0.013 0.000 2.462 131 G HA2 0.896 4.856 3.960 -0.001 0.000 0.319 131 G HA3 0.896 4.856 3.960 -0.001 0.000 0.319 131 G C -0.742 174.186 174.900 0.047 0.000 1.171 131 G CA -0.589 44.532 45.100 0.034 0.000 0.920 131 G HN 0.594 nan 8.290 nan 0.000 0.499 132 M N -0.179 119.469 119.600 0.080 0.000 2.490 132 M HA 0.437 4.917 4.480 -0.001 0.000 0.286 132 M C -1.344 175.025 176.300 0.115 0.000 1.185 132 M CA -0.778 54.587 55.300 0.108 0.000 0.912 132 M CB 2.491 35.182 32.600 0.151 0.000 1.744 132 M HN 0.493 nan 8.290 nan 0.000 0.494 133 E N 1.768 122.029 120.200 0.102 0.000 2.175 133 E HA 0.537 4.887 4.350 -0.001 0.000 0.278 133 E C -1.207 175.461 176.600 0.115 0.000 0.969 133 E CA -0.794 55.660 56.400 0.090 0.000 0.796 133 E CB 1.803 31.541 29.700 0.063 0.000 1.104 133 E HN 0.613 nan 8.360 nan 0.000 0.395 134 V N 4.976 124.957 119.914 0.111 0.000 2.446 134 V HA -0.013 4.107 4.120 -0.001 0.000 0.276 134 V C 1.395 177.542 176.094 0.089 0.000 1.030 134 V CA 0.695 63.069 62.300 0.124 0.000 1.033 134 V CB 0.514 32.400 31.823 0.105 0.000 0.993 134 V HN 0.942 nan 8.190 nan 0.000 0.477 135 T N 1.646 116.257 114.554 0.095 0.000 3.033 135 T HA 0.524 4.873 4.350 -0.001 0.000 0.248 135 T C 0.570 175.306 174.700 0.060 0.000 1.040 135 T CA 0.571 62.712 62.100 0.068 0.000 1.133 135 T CB 0.438 69.346 68.868 0.066 0.000 0.895 135 T HN 1.018 nan 8.240 nan 0.000 0.465 136 A N 0.136 123.002 122.820 0.076 0.000 2.609 136 A HA 0.779 5.098 4.320 -0.001 0.000 0.291 136 A C -1.863 175.771 177.584 0.084 0.000 1.096 136 A CA -1.019 51.056 52.037 0.064 0.000 0.684 136 A CB 1.150 20.180 19.000 0.050 0.000 1.282 136 A HN 0.402 nan 8.150 nan 0.000 0.412 137 I N 0.363 120.973 120.570 0.068 0.000 2.680 137 I HA 0.430 4.600 4.170 -0.001 0.000 0.291 137 I C -1.220 174.927 176.117 0.051 0.000 1.244 137 I CA -0.154 61.192 61.300 0.076 0.000 1.042 137 I CB 2.518 40.560 38.000 0.069 0.000 1.277 137 I HN 0.769 nan 8.210 nan 0.000 0.423 138 E N 4.145 124.373 120.200 0.048 0.000 2.307 138 E HA 0.545 4.894 4.350 -0.001 0.000 0.280 138 E C 0.012 176.629 176.600 0.028 0.000 0.900 138 E CA -0.537 55.881 56.400 0.031 0.000 0.790 138 E CB 2.312 32.026 29.700 0.023 0.000 1.261 138 E HN 0.879 nan 8.360 nan 0.000 0.405 139 G N 3.686 112.500 108.800 0.022 0.000 2.575 139 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.267 139 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.267 139 G C 0.475 175.392 174.900 0.028 0.000 1.264 139 G CA 0.383 45.493 45.100 0.018 0.000 0.935 139 G HN 0.762 nan 8.290 nan 0.000 0.568 140 N N 0.726 119.440 118.700 0.023 0.000 2.575 140 N HA 0.040 4.780 4.740 -0.001 0.000 0.192 140 N C 0.122 175.666 175.510 0.056 0.000 1.200 140 N CA 0.883 53.952 53.050 0.033 0.000 0.897 140 N CB 0.122 38.618 38.487 0.014 0.000 0.990 140 N HN 0.509 nan 8.380 nan 0.000 0.449 141 K N 0.729 121.164 120.400 0.058 0.000 2.213 141 K HA 0.355 4.674 4.320 -0.001 0.000 0.270 141 K C -0.736 175.944 176.600 0.133 0.000 1.002 141 K CA -0.843 55.487 56.287 0.072 0.000 0.868 141 K CB 2.366 34.883 32.500 0.027 0.000 1.093 141 K HN -0.162 nan 8.250 nan 0.000 0.454 142 V N 5.043 125.089 119.914 0.220 0.000 2.313 142 V HA 0.277 4.397 4.120 -0.001 0.000 0.278 142 V C -0.100 176.163 176.094 0.281 0.000 1.017 142 V CA -0.811 61.685 62.300 0.327 0.000 0.823 142 V CB 0.915 33.090 31.823 0.587 0.000 1.010 142 V HN 0.525 nan 8.190 nan 0.000 0.443 143 I N 4.631 125.312 120.570 0.185 0.000 2.315 143 I HA 0.518 4.687 4.170 -0.001 0.000 0.291 143 I C 0.067 176.281 176.117 0.162 0.000 1.006 143 I CA 0.069 61.447 61.300 0.129 0.000 1.265 143 I CB 0.996 39.037 38.000 0.068 0.000 1.387 143 I HN 0.570 nan 8.210 nan 0.000 0.475 144 C N 4.828 124.235 119.300 0.178 0.000 3.171 144 C HA 0.398 4.858 4.460 -0.001 0.000 0.308 144 C C 0.229 175.309 174.990 0.150 0.000 1.334 144 C CA -1.114 58.015 59.018 0.185 0.000 1.473 144 C CB 2.871 30.782 27.740 0.284 0.000 1.866 144 C HN 0.687 nan 8.230 nan 0.000 0.465 145 K N 1.484 121.956 120.400 0.120 0.000 2.262 145 K HA 0.523 4.843 4.320 -0.001 0.000 0.282 145 K C -0.661 175.990 176.600 0.085 0.000 1.066 145 K CA -0.123 56.218 56.287 0.090 0.000 0.901 145 K CB 0.746 33.286 32.500 0.066 0.000 1.089 145 K HN 0.575 nan 8.250 nan 0.000 0.476 146 V N 5.956 125.912 119.914 0.071 0.000 2.572 146 V HA -0.039 4.081 4.120 -0.001 0.000 0.291 146 V C 1.246 177.359 176.094 0.032 0.000 1.039 146 V CA -0.314 62.010 62.300 0.039 0.000 1.055 146 V CB 0.972 32.798 31.823 0.006 0.000 0.969 146 V HN 0.729 nan 8.190 nan 0.000 0.482 147 L N 4.021 125.261 121.223 0.029 0.000 2.509 147 L HA 0.243 4.583 4.340 -0.001 0.000 0.222 147 L C 0.703 177.581 176.870 0.013 0.000 1.123 147 L CA 0.605 55.459 54.840 0.024 0.000 0.856 147 L CB -1.852 40.224 42.059 0.028 0.000 0.985 147 L HN 1.005 nan 8.230 nan 0.000 0.456 148 N N -1.649 117.053 118.700 0.004 0.000 2.935 148 N HA 0.056 4.796 4.740 -0.001 0.000 0.248 148 N C -1.125 174.378 175.510 -0.012 0.000 1.276 148 N CA -0.551 52.498 53.050 -0.001 0.000 0.906 148 N CB 0.466 38.953 38.487 0.000 0.000 1.564 148 N HN -0.240 nan 8.380 nan 0.000 0.500 149 N N -0.423 118.271 118.700 -0.010 0.000 2.483 149 N HA 0.551 5.291 4.740 -0.001 0.000 0.264 149 N C 0.252 175.750 175.510 -0.021 0.000 1.197 149 N CA 0.615 53.656 53.050 -0.015 0.000 0.927 149 N CB 0.845 39.328 38.487 -0.008 0.000 1.065 149 N HN 0.809 nan 8.380 nan 0.000 0.461 150 G N 0.487 109.268 108.800 -0.031 0.000 2.579 150 G HA2 0.190 4.149 3.960 -0.001 0.000 0.292 150 G HA3 0.190 4.149 3.960 -0.001 0.000 0.292 150 G C -1.820 173.056 174.900 -0.039 0.000 1.484 150 G CA -0.724 44.356 45.100 -0.033 0.000 0.813 150 G HN 0.301 nan 8.290 nan 0.000 0.515 151 D N 0.781 121.164 120.400 -0.028 0.000 2.316 151 D HA 0.332 4.972 4.640 -0.001 0.000 0.245 151 D C 0.127 176.409 176.300 -0.030 0.000 1.171 151 D CA -0.211 53.774 54.000 -0.025 0.000 0.856 151 D CB 1.963 42.755 40.800 -0.013 0.000 1.090 151 D HN 0.274 nan 8.370 nan 0.000 0.476 152 L N 3.306 124.507 121.223 -0.038 0.000 2.312 152 L HA 0.457 4.796 4.340 -0.001 0.000 0.287 152 L C 0.385 177.255 176.870 -0.000 0.000 1.091 152 L CA -0.308 54.512 54.840 -0.034 0.000 0.846 152 L CB 0.312 42.327 42.059 -0.074 0.000 1.219 152 L HN 0.285 nan 8.230 nan 0.000 0.439 153 G N 3.868 112.670 108.800 0.003 0.000 2.502 153 G HA2 0.365 4.324 3.960 -0.001 0.000 0.305 153 G HA3 0.365 4.324 3.960 -0.001 0.000 0.305 153 G C -0.667 174.244 174.900 0.019 0.000 1.190 153 G CA -0.645 44.461 45.100 0.010 0.000 0.933 153 G HN 0.682 nan 8.290 nan 0.000 0.503 154 E N -0.080 120.131 120.200 0.018 0.000 2.366 154 E HA 0.128 4.477 4.350 -0.001 0.000 0.266 154 E C 0.071 176.683 176.600 0.019 0.000 1.051 154 E CA -0.102 56.311 56.400 0.022 0.000 0.884 154 E CB 0.650 30.360 29.700 0.017 0.000 1.006 154 E HN 0.541 nan 8.360 nan 0.000 0.417 155 N N 2.134 120.847 118.700 0.022 0.000 2.771 155 N HA -0.138 4.601 4.740 -0.001 0.000 0.249 155 N C -1.579 173.938 175.510 0.012 0.000 1.069 155 N CA 0.482 53.540 53.050 0.014 0.000 0.688 155 N CB -0.449 38.044 38.487 0.010 0.000 0.928 155 N HN 0.233 nan 8.380 nan 0.000 0.551 156 K N 0.111 120.523 120.400 0.019 0.000 2.118 156 K HA 0.665 4.984 4.320 -0.001 0.000 0.254 156 K C 0.948 177.549 176.600 0.002 0.000 0.961 156 K CA -0.163 56.132 56.287 0.012 0.000 0.876 156 K CB 0.889 33.400 32.500 0.018 0.000 1.077 156 K HN 0.315 nan 8.250 nan 0.000 0.440 157 G N 0.438 109.233 108.800 -0.009 0.000 2.467 157 G HA2 0.392 4.352 3.960 -0.001 0.000 0.257 157 G HA3 0.392 4.352 3.960 -0.001 0.000 0.257 157 G C -0.468 174.416 174.900 -0.026 0.000 1.227 157 G CA -0.407 44.675 45.100 -0.029 0.000 0.835 157 G HN 0.220 nan 8.290 nan 0.000 0.556 158 V N 2.171 122.058 119.914 -0.045 0.000 2.732 158 V HA 0.476 4.596 4.120 -0.001 0.000 0.310 158 V C -0.358 175.720 176.094 -0.028 0.000 1.053 158 V CA -0.907 61.376 62.300 -0.029 0.000 0.957 158 V CB 1.967 33.778 31.823 -0.019 0.000 1.018 158 V HN 0.791 nan 8.190 nan 0.000 0.452 159 N N 2.610 121.310 118.700 -0.001 0.000 2.235 159 N HA 0.724 5.464 4.740 -0.001 0.000 0.293 159 N C -1.521 173.997 175.510 0.013 0.000 1.083 159 N CA -0.549 52.505 53.050 0.007 0.000 0.801 159 N CB 2.126 40.633 38.487 0.034 0.000 1.559 159 N HN 0.525 nan 8.380 nan 0.000 0.472 160 L N 1.698 122.929 121.223 0.013 0.000 2.388 160 L HA 0.546 4.886 4.340 -0.001 0.000 0.267 160 L C -2.487 174.396 176.870 0.020 0.000 0.995 160 L CA -1.782 53.049 54.840 -0.015 0.000 0.864 160 L CB 1.653 43.661 42.059 -0.085 0.000 1.216 160 L HN 0.276 nan 8.230 nan 0.000 0.430 161 P HA 0.226 nan 4.420 nan 0.000 0.275 161 P C 0.968 178.277 177.300 0.015 0.000 1.227 161 P CA 0.404 63.521 63.100 0.029 0.000 0.781 161 P CB 1.434 33.149 31.700 0.025 0.000 0.906 162 G N 1.266 110.075 108.800 0.014 0.000 2.458 162 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.237 162 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.237 162 G C 0.183 175.084 174.900 0.002 0.000 1.113 162 G CA 0.247 45.350 45.100 0.005 0.000 0.655 162 G HN 0.572 nan 8.290 nan 0.000 0.513 163 V N 1.985 121.898 119.914 -0.001 0.000 2.843 163 V HA 0.440 4.560 4.120 -0.001 0.000 0.305 163 V C 0.819 176.920 176.094 0.012 0.000 1.065 163 V CA 0.693 62.989 62.300 -0.007 0.000 1.116 163 V CB 1.589 33.392 31.823 -0.033 0.000 0.968 163 V HN 0.465 nan 8.190 nan 0.000 0.487 164 S N 4.941 120.648 115.700 0.012 0.000 2.410 164 S HA 0.534 5.003 4.470 -0.001 0.000 0.304 164 S C -0.360 174.264 174.600 0.040 0.000 1.095 164 S CA -0.371 57.845 58.200 0.025 0.000 1.089 164 S CB 0.388 63.599 63.200 0.017 0.000 0.968 164 S HN 0.439 nan 8.310 nan 0.000 0.480 165 I N 2.774 123.380 120.570 0.059 0.000 2.325 165 I HA 0.253 4.423 4.170 -0.001 0.000 0.291 165 I C 1.179 177.335 176.117 0.066 0.000 1.019 165 I CA -0.196 61.129 61.300 0.043 0.000 1.302 165 I CB 0.881 38.851 38.000 -0.050 0.000 1.401 165 I HN 0.739 nan 8.210 nan 0.000 0.485 166 A N 7.082 129.981 122.820 0.132 0.000 2.276 166 A HA 0.083 4.403 4.320 -0.001 0.000 0.205 166 A C 0.988 178.666 177.584 0.156 0.000 1.234 166 A CA 0.387 52.512 52.037 0.147 0.000 0.797 166 A CB -0.933 18.169 19.000 0.170 0.000 0.769 166 A HN 0.649 nan 8.150 nan 0.000 0.491 167 L N -0.301 120.968 121.223 0.076 0.000 2.476 167 L HA 0.223 4.563 4.340 -0.001 0.000 0.255 167 L C -2.034 174.873 176.870 0.062 0.000 1.218 167 L CA -1.717 53.160 54.840 0.061 0.000 0.819 167 L CB 0.023 42.013 42.059 -0.116 0.000 1.119 167 L HN 0.071 nan 8.230 nan 0.000 0.485 168 P HA 0.197 nan 4.420 nan 0.000 0.281 168 P C -0.195 177.130 177.300 0.041 0.000 1.264 168 P CA -0.440 62.690 63.100 0.050 0.000 0.824 168 P CB 1.210 32.939 31.700 0.049 0.000 1.092 169 A N 1.892 124.733 122.820 0.035 0.000 1.908 169 A HA -0.092 4.227 4.320 -0.001 0.000 0.218 169 A C 0.922 178.508 177.584 0.003 0.000 1.181 169 A CA 1.421 53.474 52.037 0.027 0.000 0.627 169 A CB -1.077 17.930 19.000 0.011 0.000 0.818 169 A HN 0.492 nan 8.150 nan 0.000 0.445 170 L N 0.500 121.715 121.223 -0.013 0.000 2.264 170 L HA 0.492 4.832 4.340 -0.001 0.000 0.287 170 L C 0.671 177.533 176.870 -0.013 0.000 1.039 170 L CA -0.794 54.018 54.840 -0.047 0.000 0.829 170 L CB 1.117 43.085 42.059 -0.152 0.000 1.211 170 L HN 0.364 nan 8.230 nan 0.000 0.427 171 A N 2.815 125.629 122.820 -0.010 0.000 2.433 171 A HA 0.064 4.384 4.320 -0.001 0.000 0.250 171 A C 1.233 178.827 177.584 0.016 0.000 1.113 171 A CA -0.077 51.965 52.037 0.008 0.000 0.794 171 A CB 0.321 19.323 19.000 0.003 0.000 1.067 171 A HN 0.744 nan 8.150 nan 0.000 0.510 172 E N 0.031 120.251 120.200 0.034 0.000 2.077 172 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 172 E C 2.172 178.803 176.600 0.052 0.000 0.989 172 E CA 1.659 58.087 56.400 0.047 0.000 0.800 172 E CB -0.391 29.339 29.700 0.051 0.000 0.746 172 E HN 0.565 nan 8.360 nan 0.000 0.452 173 K N 0.992 121.422 120.400 0.050 0.000 2.103 173 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 173 K C 1.425 178.067 176.600 0.070 0.000 1.052 173 K CA 1.244 57.577 56.287 0.075 0.000 0.945 173 K CB -0.448 32.087 32.500 0.058 0.000 0.722 173 K HN 0.087 nan 8.250 nan 0.000 0.443 174 D N 0.981 121.395 120.400 0.024 0.000 2.158 174 D HA -0.114 4.525 4.640 -0.001 0.000 0.197 174 D C 1.827 178.083 176.300 -0.074 0.000 0.995 174 D CA 1.560 55.550 54.000 -0.018 0.000 0.846 174 D CB -0.114 40.660 40.800 -0.043 0.000 0.941 174 D HN 0.529 nan 8.370 nan 0.000 0.456 175 K N 0.278 120.638 120.400 -0.068 0.000 2.097 175 K HA -0.080 4.240 4.320 -0.001 0.000 0.205 175 K C 2.041 178.645 176.600 0.007 0.000 1.050 175 K CA 0.715 56.942 56.287 -0.099 0.000 0.938 175 K CB 0.016 32.551 32.500 0.058 0.000 0.718 175 K HN 0.113 nan 8.250 nan 0.000 0.442 176 Q N 0.985 120.815 119.800 0.050 0.000 2.230 176 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 176 Q C 1.268 177.267 176.000 -0.002 0.000 0.963 176 Q CA 1.218 57.056 55.803 0.059 0.000 0.866 176 Q CB -0.144 28.701 28.738 0.180 0.000 0.931 176 Q HN 0.338 nan 8.270 nan 0.000 0.452 177 D N 0.643 121.074 120.400 0.051 0.000 2.183 177 D HA -0.029 4.611 4.640 -0.001 0.000 0.203 177 D C 2.126 178.284 176.300 -0.237 0.000 0.969 177 D CA 0.492 54.446 54.000 -0.077 0.000 0.842 177 D CB -0.030 40.716 40.800 -0.090 0.000 0.957 177 D HN 0.179 nan 8.370 nan 0.000 0.484 178 L N 0.324 121.452 121.223 -0.160 0.000 1.994 178 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 178 L C 2.488 179.291 176.870 -0.112 0.000 1.071 178 L CA 0.838 55.599 54.840 -0.131 0.000 0.745 178 L CB -0.444 41.563 42.059 -0.086 0.000 0.892 178 L HN 0.003 nan 8.230 nan 0.000 0.431 179 I N -0.535 119.942 120.570 -0.155 0.000 2.194 179 I HA -0.363 3.807 4.170 -0.001 0.000 0.246 179 I C 2.553 178.580 176.117 -0.150 0.000 1.093 179 I CA 1.567 62.722 61.300 -0.241 0.000 1.355 179 I CB -0.401 37.394 38.000 -0.342 0.000 1.046 179 I HN 0.164 nan 8.210 nan 0.000 0.413 180 F N 1.886 121.627 119.950 -0.349 0.000 2.161 180 F HA -0.167 4.360 4.527 -0.001 0.000 0.300 180 F C 2.224 177.877 175.800 -0.246 0.000 1.089 180 F CA 1.574 59.359 58.000 -0.359 0.000 1.282 180 F CB -0.817 37.815 39.000 -0.612 0.000 1.010 180 F HN -0.005 nan 8.300 nan 0.000 0.485 181 G N -0.339 108.456 108.800 -0.008 0.000 2.433 181 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.216 181 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.216 181 G C 1.730 176.560 174.900 -0.116 0.000 1.186 181 G CA 1.135 46.198 45.100 -0.062 0.000 0.779 181 G HN 0.518 nan 8.290 nan 0.000 0.543 182 C N 0.621 119.864 119.300 -0.095 0.000 2.436 182 C HA -0.005 4.455 4.460 -0.001 0.000 0.277 182 C C 2.779 177.701 174.990 -0.114 0.000 1.241 182 C CA 1.111 60.086 59.018 -0.072 0.000 1.721 182 C CB -1.100 26.631 27.740 -0.015 0.000 2.043 182 C HN 0.600 nan 8.230 nan 0.000 0.472 183 E N 0.476 120.580 120.200 -0.161 0.000 2.070 183 E HA -0.253 4.097 4.350 -0.001 0.000 0.197 183 E C 2.338 178.794 176.600 -0.241 0.000 1.004 183 E CA 1.294 57.579 56.400 -0.190 0.000 0.805 183 E CB -0.242 29.316 29.700 -0.236 0.000 0.744 183 E HN 0.642 nan 8.360 nan 0.000 0.451 184 Q N -0.846 118.735 119.800 -0.364 0.000 2.172 184 Q HA -0.017 4.323 4.340 -0.001 0.000 0.200 184 Q C 1.182 177.083 176.000 -0.164 0.000 0.964 184 Q CA 1.111 56.722 55.803 -0.320 0.000 0.855 184 Q CB 0.474 28.922 28.738 -0.484 0.000 0.918 184 Q HN 0.443 nan 8.270 nan 0.000 0.444 185 G N 1.540 110.263 108.800 -0.129 0.000 2.255 185 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.239 185 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.239 185 G C 0.216 175.081 174.900 -0.060 0.000 1.083 185 G CA 0.220 45.275 45.100 -0.077 0.000 0.826 185 G HN 0.293 nan 8.290 nan 0.000 0.493 186 V N -2.503 117.379 119.914 -0.054 0.000 2.811 186 V HA 0.524 4.643 4.120 -0.001 0.000 0.302 186 V C 1.259 177.321 176.094 -0.054 0.000 1.063 186 V CA 0.380 62.665 62.300 -0.024 0.000 1.088 186 V CB 1.269 33.097 31.823 0.008 0.000 0.982 186 V HN 0.123 nan 8.190 nan 0.000 0.485 187 D N 1.784 122.141 120.400 -0.071 0.000 2.149 187 D HA 0.107 4.747 4.640 -0.001 0.000 0.201 187 D C 0.165 176.149 176.300 -0.526 0.000 0.972 187 D CA 1.742 55.587 54.000 -0.257 0.000 0.835 187 D CB 0.015 40.731 40.800 -0.139 0.000 0.966 187 D HN 0.605 nan 8.370 nan 0.000 0.476 188 F N -1.288 118.668 119.950 0.009 0.000 2.692 188 F HA 0.480 5.007 4.527 -0.001 0.000 0.320 188 F C -0.485 175.324 175.800 0.015 0.000 1.123 188 F CA -1.090 56.929 58.000 0.032 0.000 0.961 188 F CB 2.032 41.049 39.000 0.029 0.000 1.383 188 F HN -0.494 nan 8.300 nan 0.000 0.483 189 V N 1.343 121.406 119.914 0.249 0.000 2.610 189 V HA 0.648 4.767 4.120 -0.001 0.000 0.298 189 V C -1.038 175.127 176.094 0.118 0.000 1.067 189 V CA -0.898 61.471 62.300 0.115 0.000 0.894 189 V CB 1.637 33.488 31.823 0.047 0.000 1.015 189 V HN 0.892 nan 8.190 nan 0.000 0.432 190 A N 4.400 127.270 122.820 0.084 0.000 2.260 190 A HA 0.848 5.167 4.320 -0.001 0.000 0.312 190 A C 0.448 178.059 177.584 0.045 0.000 1.321 190 A CA 0.077 52.152 52.037 0.065 0.000 0.928 190 A CB 0.664 19.692 19.000 0.047 0.000 1.158 190 A HN 1.356 nan 8.150 nan 0.000 0.542 191 A N 3.103 125.946 122.820 0.039 0.000 2.366 191 A HA 0.593 4.913 4.320 -0.001 0.000 0.272 191 A C 0.640 178.247 177.584 0.039 0.000 1.135 191 A CA -0.202 51.851 52.037 0.027 0.000 0.804 191 A CB 0.094 19.103 19.000 0.016 0.000 1.064 191 A HN 0.788 nan 8.150 nan 0.000 0.499 192 S N 0.815 116.547 115.700 0.053 0.000 2.610 192 S HA 0.464 4.933 4.470 -0.001 0.000 0.273 192 S C 0.186 174.879 174.600 0.154 0.000 1.274 192 S CA -0.164 58.092 58.200 0.093 0.000 1.023 192 S CB 0.087 63.344 63.200 0.095 0.000 0.962 192 S HN 1.217 nan 8.310 nan 0.000 0.523 193 F N 0.774 120.720 119.950 -0.008 0.000 3.100 193 F HA -0.180 4.347 4.527 -0.001 0.000 0.283 193 F C -0.251 175.542 175.800 -0.013 0.000 0.900 193 F CA -0.074 57.917 58.000 -0.014 0.000 1.010 193 F CB -0.975 38.008 39.000 -0.029 0.000 1.029 193 F HN 0.415 nan 8.300 nan 0.000 0.637 194 I N 1.723 122.217 120.570 -0.126 0.000 2.578 194 I HA -0.070 4.100 4.170 -0.001 0.000 0.286 194 I C 1.399 177.380 176.117 -0.227 0.000 1.126 194 I CA 0.648 61.867 61.300 -0.134 0.000 1.380 194 I CB 0.627 38.582 38.000 -0.075 0.000 1.408 194 I HN 0.227 nan 8.210 nan 0.000 0.532 195 R N 5.332 125.701 120.500 -0.218 0.000 2.290 195 R HA 0.149 4.489 4.340 -0.001 0.000 0.197 195 R C 0.048 176.286 176.300 -0.103 0.000 0.913 195 R CA 0.271 56.250 56.100 -0.201 0.000 1.040 195 R CB 0.236 30.421 30.300 -0.191 0.000 0.992 195 R HN 0.652 nan 8.270 nan 0.000 0.500 196 K N -2.208 118.148 120.400 -0.073 0.000 2.617 196 K HA 0.301 4.620 4.320 -0.001 0.000 0.293 196 K C -0.253 176.320 176.600 -0.045 0.000 1.034 196 K CA -0.964 55.294 56.287 -0.048 0.000 0.884 196 K CB 0.958 33.438 32.500 -0.033 0.000 1.541 196 K HN -0.253 nan 8.250 nan 0.000 0.409 197 R N 0.802 121.278 120.500 -0.040 0.000 2.127 197 R HA -0.126 4.214 4.340 -0.001 0.000 0.238 197 R C 1.765 178.047 176.300 -0.030 0.000 1.134 197 R CA 2.526 58.601 56.100 -0.042 0.000 0.975 197 R CB -0.320 29.956 30.300 -0.039 0.000 0.865 197 R HN 0.777 nan 8.270 nan 0.000 0.447 198 S N 0.406 116.094 115.700 -0.020 0.000 2.399 198 S HA -0.125 4.345 4.470 -0.001 0.000 0.231 198 S C 1.234 175.830 174.600 -0.006 0.000 1.022 198 S CA 1.350 59.544 58.200 -0.010 0.000 0.983 198 S CB -0.178 63.021 63.200 -0.001 0.000 0.803 198 S HN 0.287 nan 8.310 nan 0.000 0.480 199 D N 2.001 122.393 120.400 -0.012 0.000 2.123 199 D HA -0.063 4.577 4.640 -0.001 0.000 0.196 199 D C 2.119 178.413 176.300 -0.009 0.000 0.992 199 D CA 1.209 55.205 54.000 -0.007 0.000 0.833 199 D CB -0.758 40.034 40.800 -0.014 0.000 0.954 199 D HN 0.403 nan 8.370 nan 0.000 0.455 200 V N 1.469 121.371 119.914 -0.021 0.000 2.407 200 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 200 V C 2.432 178.521 176.094 -0.008 0.000 1.055 200 V CA 0.921 63.209 62.300 -0.019 0.000 1.049 200 V CB -0.340 31.460 31.823 -0.037 0.000 0.662 200 V HN 0.150 nan 8.190 nan 0.000 0.455 201 I N 0.602 121.167 120.570 -0.008 0.000 2.127 201 I HA -0.229 3.940 4.170 -0.001 0.000 0.241 201 I C 2.591 178.721 176.117 0.022 0.000 1.075 201 I CA 1.667 62.968 61.300 0.001 0.000 1.334 201 I CB -1.449 36.549 38.000 -0.003 0.000 1.040 201 I HN 0.469 nan 8.210 nan 0.000 0.405 202 E N 0.646 120.863 120.200 0.028 0.000 2.160 202 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 202 E C 2.262 178.909 176.600 0.079 0.000 0.991 202 E CA 1.186 57.620 56.400 0.056 0.000 0.810 202 E CB -0.151 29.577 29.700 0.048 0.000 0.742 202 E HN 0.524 nan 8.360 nan 0.000 0.466 203 I N 0.382 120.979 120.570 0.045 0.000 2.584 203 I HA -0.135 4.035 4.170 -0.001 0.000 0.255 203 I C 2.538 178.707 176.117 0.087 0.000 1.145 203 I CA 0.412 61.745 61.300 0.055 0.000 1.462 203 I CB -0.050 37.955 38.000 0.008 0.000 1.102 203 I HN -0.039 nan 8.210 nan 0.000 0.433 204 R N 1.695 122.224 120.500 0.050 0.000 2.073 204 R HA -0.163 4.176 4.340 -0.001 0.000 0.234 204 R C 2.016 178.348 176.300 0.053 0.000 1.134 204 R CA 1.666 57.787 56.100 0.035 0.000 0.952 204 R CB -0.263 30.040 30.300 0.005 0.000 0.850 204 R HN 0.316 nan 8.270 nan 0.000 0.433 205 E N -1.385 118.850 120.200 0.058 0.000 2.085 205 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 205 E C 1.881 178.526 176.600 0.074 0.000 0.994 205 E CA 1.743 58.172 56.400 0.049 0.000 0.801 205 E CB -0.244 29.481 29.700 0.041 0.000 0.743 205 E HN 0.525 nan 8.360 nan 0.000 0.453 206 H N 0.536 119.629 119.070 0.037 0.000 2.270 206 H HA -0.044 4.512 4.556 -0.001 0.000 0.299 206 H C 2.049 177.447 175.328 0.118 0.000 1.077 206 H CA 1.599 57.696 56.048 0.081 0.000 1.294 206 H CB -0.037 29.761 29.762 0.060 0.000 1.371 206 H HN 0.024 nan 8.280 nan 0.000 0.491 207 L N 0.365 121.732 121.223 0.240 0.000 2.187 207 L HA -0.190 4.149 4.340 -0.001 0.000 0.213 207 L C 2.493 179.418 176.870 0.091 0.000 1.100 207 L CA 1.470 56.407 54.840 0.162 0.000 0.765 207 L CB -0.427 41.686 42.059 0.091 0.000 0.904 207 L HN 0.326 nan 8.230 nan 0.000 0.437 208 K N 0.745 121.172 120.400 0.045 0.000 2.155 208 K HA -0.081 4.238 4.320 -0.001 0.000 0.203 208 K C 1.976 178.543 176.600 -0.055 0.000 1.052 208 K CA 0.996 57.279 56.287 -0.007 0.000 0.948 208 K CB 0.015 32.505 32.500 -0.018 0.000 0.728 208 K HN 0.259 nan 8.250 nan 0.000 0.448 209 A N -0.035 122.727 122.820 -0.098 0.000 2.239 209 A HA -0.064 4.256 4.320 -0.001 0.000 0.209 209 A C 0.218 177.475 177.584 -0.546 0.000 1.171 209 A CA 0.907 52.764 52.037 -0.300 0.000 0.768 209 A CB -0.357 18.410 19.000 -0.388 0.000 0.790 209 A HN 0.437 nan 8.150 nan 0.000 0.478 210 H N -2.526 116.499 119.070 -0.075 0.000 2.777 210 H HA 0.389 4.944 4.556 -0.001 0.000 0.244 210 H C 1.095 176.394 175.328 -0.048 0.000 1.185 210 H CA 0.135 56.146 56.048 -0.062 0.000 0.945 210 H CB 0.514 30.243 29.762 -0.055 0.000 1.994 210 H HN 0.439 nan 8.280 nan 0.000 0.638 211 G N 0.301 109.116 108.800 0.025 0.000 2.141 211 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.242 211 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.242 211 G C 1.325 176.230 174.900 0.009 0.000 0.982 211 G CA 0.280 45.382 45.100 0.004 0.000 0.662 211 G HN 0.616 nan 8.290 nan 0.000 0.527 212 G N 0.792 109.610 108.800 0.030 0.000 2.985 212 G HA2 0.270 4.230 3.960 -0.001 0.000 0.209 212 G HA3 0.270 4.230 3.960 -0.001 0.000 0.209 212 G C 1.423 176.324 174.900 0.003 0.000 1.165 212 G CA 1.272 46.383 45.100 0.018 0.000 0.776 212 G HN 0.786 nan 8.290 nan 0.000 0.541 213 E N 2.148 122.345 120.200 -0.005 0.000 2.164 213 E HA -0.269 4.081 4.350 -0.001 0.000 0.206 213 E C 0.873 177.462 176.600 -0.018 0.000 1.032 213 E CA 1.317 57.708 56.400 -0.015 0.000 0.832 213 E CB -0.723 28.964 29.700 -0.022 0.000 0.742 213 E HN 0.359 nan 8.360 nan 0.000 0.460 214 N N 0.708 119.400 118.700 -0.012 0.000 2.362 214 N HA 0.194 4.933 4.740 -0.001 0.000 0.211 214 N C -0.108 175.418 175.510 0.026 0.000 1.170 214 N CA 0.075 53.127 53.050 0.004 0.000 0.828 214 N CB 0.213 38.696 38.487 -0.007 0.000 1.034 214 N HN 0.286 nan 8.380 nan 0.000 0.475 215 I N 1.089 121.664 120.570 0.010 0.000 2.342 215 I HA 0.058 4.227 4.170 -0.001 0.000 0.291 215 I C 0.622 176.772 176.117 0.055 0.000 1.010 215 I CA -0.415 60.879 61.300 -0.010 0.000 1.308 215 I CB 0.727 38.717 38.000 -0.016 0.000 1.400 215 I HN 0.002 nan 8.210 nan 0.000 0.488 216 H N 6.698 125.603 119.070 -0.275 0.000 2.582 216 H HA 0.377 4.933 4.556 -0.001 0.000 0.345 216 H C -0.307 175.065 175.328 0.073 0.000 1.104 216 H CA -0.548 55.437 56.048 -0.105 0.000 1.390 216 H CB 1.429 31.122 29.762 -0.116 0.000 1.461 216 H HN 0.378 nan 8.280 nan 0.000 0.551 217 I N 4.541 125.199 120.570 0.146 0.000 2.331 217 I HA 0.089 4.259 4.170 -0.001 0.000 0.292 217 I C -0.094 176.113 176.117 0.151 0.000 0.998 217 I CA -0.415 60.959 61.300 0.123 0.000 1.267 217 I CB 1.115 39.139 38.000 0.040 0.000 1.386 217 I HN 0.349 nan 8.210 nan 0.000 0.476 218 I N 5.430 126.092 120.570 0.154 0.000 2.359 218 I HA 0.209 4.379 4.170 -0.001 0.000 0.284 218 I C 0.183 176.333 176.117 0.056 0.000 1.018 218 I CA -0.068 61.295 61.300 0.104 0.000 1.173 218 I CB 1.141 39.190 38.000 0.082 0.000 1.326 218 I HN 0.475 nan 8.210 nan 0.000 0.462 219 S N 6.283 122.000 115.700 0.030 0.000 2.523 219 S HA 0.286 4.755 4.470 -0.001 0.000 0.275 219 S C 0.251 174.866 174.600 0.026 0.000 1.281 219 S CA -0.520 57.688 58.200 0.014 0.000 1.050 219 S CB 0.779 63.968 63.200 -0.018 0.000 0.937 219 S HN 0.374 nan 8.310 nan 0.000 0.492 220 K N 3.117 123.532 120.400 0.025 0.000 2.264 220 K HA 0.320 4.640 4.320 -0.001 0.000 0.277 220 K C -0.564 176.047 176.600 0.018 0.000 1.067 220 K CA -0.468 55.839 56.287 0.033 0.000 0.900 220 K CB 0.508 33.035 32.500 0.045 0.000 1.124 220 K HN 0.412 nan 8.250 nan 0.000 0.469 221 I N 3.254 123.846 120.570 0.036 0.000 2.416 221 I HA 0.042 4.212 4.170 -0.001 0.000 0.288 221 I C 0.624 176.741 176.117 -0.001 0.000 1.051 221 I CA 0.406 61.717 61.300 0.018 0.000 1.375 221 I CB 0.755 38.806 38.000 0.085 0.000 1.407 221 I HN 0.753 nan 8.210 nan 0.000 0.516 222 E N 4.888 125.055 120.200 -0.055 0.000 2.945 222 E HA 0.138 4.487 4.350 -0.001 0.000 0.196 222 E C -0.686 175.904 176.600 -0.017 0.000 0.965 222 E CA -0.248 56.154 56.400 0.005 0.000 1.270 222 E CB 0.591 30.361 29.700 0.118 0.000 1.045 222 E HN 0.790 nan 8.360 nan 0.000 0.474 223 N N -0.566 118.084 118.700 -0.084 0.000 3.348 223 N HA -0.064 4.676 4.740 -0.001 0.000 0.233 223 N C 0.402 175.878 175.510 -0.056 0.000 1.440 223 N CA -0.470 52.547 53.050 -0.056 0.000 0.887 223 N CB 1.075 39.517 38.487 -0.074 0.000 1.410 223 N HN -0.161 nan 8.380 nan 0.000 0.502 224 Q N 0.561 120.349 119.800 -0.021 0.000 2.133 224 Q HA -0.208 4.131 4.340 -0.001 0.000 0.208 224 Q C 1.532 177.512 176.000 -0.033 0.000 0.991 224 Q CA 2.685 58.478 55.803 -0.017 0.000 0.867 224 Q CB -0.159 28.578 28.738 -0.002 0.000 0.911 224 Q HN 0.739 nan 8.270 nan 0.000 0.417 225 E N -1.758 118.406 120.200 -0.060 0.000 2.047 225 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 225 E C 1.849 178.406 176.600 -0.071 0.000 0.987 225 E CA 1.060 57.420 56.400 -0.067 0.000 0.799 225 E CB -0.519 29.133 29.700 -0.081 0.000 0.752 225 E HN 0.534 nan 8.360 nan 0.000 0.449 226 G N 1.347 110.072 108.800 -0.124 0.000 2.422 226 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 226 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 226 G C 1.509 176.423 174.900 0.023 0.000 1.146 226 G CA 0.786 45.839 45.100 -0.079 0.000 0.769 226 G HN 0.283 nan 8.290 nan 0.000 0.547 227 L N 1.433 122.661 121.223 0.008 0.000 2.017 227 L HA -0.046 4.293 4.340 -0.001 0.000 0.208 227 L C 2.357 179.262 176.870 0.059 0.000 1.073 227 L CA 1.854 56.715 54.840 0.035 0.000 0.745 227 L CB -0.661 41.389 42.059 -0.014 0.000 0.894 227 L HN 0.121 nan 8.230 nan 0.000 0.432 228 N N 0.229 118.945 118.700 0.028 0.000 2.104 228 N HA -0.165 4.574 4.740 -0.001 0.000 0.190 228 N C 1.049 176.593 175.510 0.056 0.000 1.024 228 N CA 1.463 54.532 53.050 0.031 0.000 0.853 228 N CB -0.571 37.922 38.487 0.009 0.000 1.008 228 N HN 0.479 nan 8.380 nan 0.000 0.424 229 N N 0.481 119.210 118.700 0.049 0.000 2.314 229 N HA 0.001 4.741 4.740 -0.001 0.000 0.200 229 N C 1.118 176.662 175.510 0.057 0.000 1.135 229 N CA -0.225 52.847 53.050 0.036 0.000 0.835 229 N CB -0.320 38.162 38.487 -0.007 0.000 0.989 229 N HN 0.199 nan 8.380 nan 0.000 0.478 230 F N 2.477 122.408 119.950 -0.032 0.000 2.087 230 F HA -0.285 4.242 4.527 -0.001 0.000 0.299 230 F C 1.606 177.394 175.800 -0.019 0.000 1.100 230 F CA 1.768 59.752 58.000 -0.026 0.000 1.226 230 F CB 0.086 39.075 39.000 -0.020 0.000 0.983 230 F HN -0.027 nan 8.300 nan 0.000 0.479 231 D N 0.363 120.789 120.400 0.044 0.000 2.106 231 D HA -0.263 4.377 4.640 -0.001 0.000 0.191 231 D C 2.183 178.386 176.300 -0.163 0.000 0.997 231 D CA 1.922 55.877 54.000 -0.074 0.000 0.834 231 D CB -0.832 39.990 40.800 0.036 0.000 0.956 231 D HN 0.699 nan 8.370 nan 0.000 0.448 232 E N 0.972 121.115 120.200 -0.096 0.000 2.038 232 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 232 E C 2.379 178.896 176.600 -0.137 0.000 1.000 232 E CA 1.058 57.403 56.400 -0.091 0.000 0.803 232 E CB -0.651 29.017 29.700 -0.052 0.000 0.750 232 E HN 0.279 nan 8.360 nan 0.000 0.448 233 I N 0.759 121.229 120.570 -0.167 0.000 2.163 233 I HA -0.245 3.925 4.170 -0.001 0.000 0.243 233 I C 2.726 178.683 176.117 -0.268 0.000 1.085 233 I CA 0.893 62.080 61.300 -0.188 0.000 1.347 233 I CB -0.342 37.553 38.000 -0.174 0.000 1.044 233 I HN 0.188 nan 8.210 nan 0.000 0.408 234 L N 0.919 121.855 121.223 -0.479 0.000 2.042 234 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 234 L C 2.501 179.225 176.870 -0.242 0.000 1.076 234 L CA 1.941 56.497 54.840 -0.474 0.000 0.749 234 L CB -0.793 40.819 42.059 -0.745 0.000 0.893 234 L HN 0.195 nan 8.230 nan 0.000 0.432 235 E N 0.298 120.378 120.200 -0.200 0.000 2.035 235 E HA -0.290 4.060 4.350 -0.001 0.000 0.204 235 E C 2.064 178.603 176.600 -0.102 0.000 1.025 235 E CA 1.841 58.169 56.400 -0.120 0.000 0.835 235 E CB -0.467 29.178 29.700 -0.092 0.000 0.764 235 E HN 0.612 nan 8.360 nan 0.000 0.457 236 A N 0.542 123.302 122.820 -0.100 0.000 2.070 236 A HA -0.057 4.262 4.320 -0.001 0.000 0.220 236 A C 1.528 179.065 177.584 -0.079 0.000 1.159 236 A CA 0.998 52.987 52.037 -0.080 0.000 0.656 236 A CB -0.128 18.831 19.000 -0.069 0.000 0.800 236 A HN 0.223 nan 8.150 nan 0.000 0.453 237 S N -0.493 115.151 115.700 -0.092 0.000 2.707 237 S HA 0.287 4.756 4.470 -0.001 0.000 0.276 237 S C 0.181 174.742 174.600 -0.064 0.000 1.179 237 S CA -0.499 57.660 58.200 -0.070 0.000 0.992 237 S CB 0.902 64.064 63.200 -0.064 0.000 1.030 237 S HN 0.411 nan 8.310 nan 0.000 0.554 238 D N 0.125 120.504 120.400 -0.035 0.000 2.367 238 D HA 0.265 4.904 4.640 -0.001 0.000 0.207 238 D C 0.735 177.089 176.300 0.090 0.000 1.034 238 D CA 0.387 54.371 54.000 -0.026 0.000 0.861 238 D CB 0.616 41.373 40.800 -0.072 0.000 0.943 238 D HN 0.633 nan 8.370 nan 0.000 0.515 239 G N 0.066 108.908 108.800 0.071 0.000 2.490 239 G HA2 0.478 4.437 3.960 -0.001 0.000 0.308 239 G HA3 0.478 4.437 3.960 -0.001 0.000 0.308 239 G C -1.815 173.107 174.900 0.036 0.000 1.286 239 G CA -0.469 44.673 45.100 0.070 0.000 0.825 239 G HN -0.054 nan 8.290 nan 0.000 0.479 240 I N 0.137 120.732 120.570 0.042 0.000 2.918 240 I HA 0.536 4.705 4.170 -0.001 0.000 0.301 240 I C -0.960 175.187 176.117 0.049 0.000 1.312 240 I CA -0.584 60.751 61.300 0.059 0.000 1.007 240 I CB 2.221 40.295 38.000 0.124 0.000 1.281 240 I HN 0.709 nan 8.210 nan 0.000 0.440 241 M N 5.105 124.738 119.600 0.054 0.000 2.151 241 M HA 0.474 4.954 4.480 -0.001 0.000 0.290 241 M C -1.754 174.575 176.300 0.049 0.000 0.965 241 M CA -0.637 54.684 55.300 0.035 0.000 0.930 241 M CB 1.682 34.294 32.600 0.020 0.000 1.560 241 M HN 0.252 nan 8.290 nan 0.000 0.438 242 V N 4.695 124.633 119.914 0.039 0.000 2.389 242 V HA 0.412 4.531 4.120 -0.001 0.000 0.264 242 V C 0.477 176.583 176.094 0.020 0.000 1.049 242 V CA -0.368 61.949 62.300 0.028 0.000 0.932 242 V CB 0.616 32.446 31.823 0.012 0.000 1.011 242 V HN 0.864 nan 8.190 nan 0.000 0.475 243 A N 6.277 129.112 122.820 0.024 0.000 2.774 243 A HA 0.408 4.727 4.320 -0.001 0.000 0.326 243 A C 1.422 179.017 177.584 0.019 0.000 1.478 243 A CA -0.507 51.546 52.037 0.027 0.000 1.099 243 A CB -0.075 18.951 19.000 0.042 0.000 1.148 243 A HN 0.737 nan 8.150 nan 0.000 0.519 244 R N 1.840 122.345 120.500 0.008 0.000 2.082 244 R HA -0.158 4.182 4.340 -0.001 0.000 0.234 244 R C 2.346 178.649 176.300 0.005 0.000 1.136 244 R CA 1.960 58.059 56.100 -0.001 0.000 0.935 244 R CB -0.873 29.421 30.300 -0.011 0.000 0.842 244 R HN 0.733 nan 8.270 nan 0.000 0.430 245 G N 1.708 110.514 108.800 0.010 0.000 2.491 245 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 245 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 245 G C 1.103 176.017 174.900 0.024 0.000 1.180 245 G CA 1.061 46.169 45.100 0.013 0.000 0.774 245 G HN 0.303 nan 8.290 nan 0.000 0.562 246 D N 0.302 120.723 120.400 0.035 0.000 2.116 246 D HA -0.096 4.544 4.640 -0.001 0.000 0.193 246 D C 2.566 178.900 176.300 0.056 0.000 0.998 246 D CA 0.704 54.737 54.000 0.054 0.000 0.836 246 D CB -0.186 40.657 40.800 0.072 0.000 0.951 246 D HN 0.250 nan 8.370 nan 0.000 0.449 247 L N 0.765 122.012 121.223 0.040 0.000 2.093 247 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 247 L C 2.567 179.452 176.870 0.025 0.000 1.085 247 L CA 1.146 56.004 54.840 0.031 0.000 0.755 247 L CB -0.542 41.524 42.059 0.012 0.000 0.904 247 L HN 0.072 nan 8.230 nan 0.000 0.435 248 G N -0.664 108.147 108.800 0.017 0.000 2.475 248 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 248 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 248 G C 1.482 176.393 174.900 0.018 0.000 1.125 248 G CA 1.029 46.136 45.100 0.012 0.000 0.755 248 G HN 0.289 nan 8.290 nan 0.000 0.565 249 V N 0.540 120.469 119.914 0.025 0.000 2.626 249 V HA -0.086 4.034 4.120 -0.001 0.000 0.252 249 V C 2.255 178.368 176.094 0.032 0.000 1.067 249 V CA 1.814 64.130 62.300 0.027 0.000 1.081 249 V CB -0.311 31.531 31.823 0.032 0.000 0.686 249 V HN 0.487 nan 8.190 nan 0.000 0.468 250 E N 0.176 120.400 120.200 0.039 0.000 2.474 250 E HA 0.309 4.659 4.350 -0.001 0.000 0.195 250 E C 0.405 177.022 176.600 0.028 0.000 1.039 250 E CA 0.121 56.545 56.400 0.040 0.000 0.881 250 E CB 0.455 30.190 29.700 0.059 0.000 0.970 250 E HN 0.744 nan 8.360 nan 0.000 0.486 251 I N -3.660 116.923 120.570 0.022 0.000 3.352 251 I HA 0.527 4.696 4.170 -0.001 0.000 0.316 251 I C -2.869 173.259 176.117 0.018 0.000 1.214 251 I CA -3.165 58.146 61.300 0.018 0.000 0.934 251 I CB 1.149 39.158 38.000 0.016 0.000 1.310 251 I HN -0.377 nan 8.210 nan 0.000 0.475 252 P HA 0.081 nan 4.420 nan 0.000 0.268 252 P C 1.096 178.410 177.300 0.024 0.000 1.205 252 P CA -0.344 62.770 63.100 0.023 0.000 0.771 252 P CB 0.859 32.575 31.700 0.027 0.000 0.858 253 V N 1.915 121.840 119.914 0.018 0.000 2.287 253 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 253 V C 1.861 177.965 176.094 0.017 0.000 1.053 253 V CA 2.058 64.364 62.300 0.010 0.000 1.027 253 V CB -1.548 30.278 31.823 0.006 0.000 0.646 253 V HN 0.598 nan 8.190 nan 0.000 0.447 254 E N 0.667 120.890 120.200 0.039 0.000 2.463 254 E HA -0.219 4.131 4.350 -0.001 0.000 0.201 254 E C 1.664 178.353 176.600 0.148 0.000 1.045 254 E CA 1.330 57.775 56.400 0.075 0.000 0.872 254 E CB -0.449 29.309 29.700 0.097 0.000 0.797 254 E HN 0.720 nan 8.360 nan 0.000 0.538 255 E N 0.735 121.001 120.200 0.110 0.000 2.216 255 E HA 0.021 4.370 4.350 -0.001 0.000 0.192 255 E C 2.358 179.013 176.600 0.092 0.000 0.973 255 E CA 0.610 57.097 56.400 0.145 0.000 0.851 255 E CB -0.102 29.645 29.700 0.078 0.000 0.804 255 E HN 0.172 nan 8.360 nan 0.000 0.477 256 V N 1.950 121.876 119.914 0.019 0.000 2.252 256 V HA -0.279 3.841 4.120 -0.001 0.000 0.249 256 V C 2.463 178.520 176.094 -0.062 0.000 1.056 256 V CA 1.829 64.117 62.300 -0.020 0.000 1.022 256 V CB -0.574 31.232 31.823 -0.029 0.000 0.641 256 V HN 0.169 nan 8.190 nan 0.000 0.445 257 I N -0.839 119.637 120.570 -0.158 0.000 2.335 257 I HA -0.197 3.973 4.170 -0.001 0.000 0.251 257 I C 2.030 177.988 176.117 -0.264 0.000 1.129 257 I CA 1.550 62.686 61.300 -0.273 0.000 1.402 257 I CB -0.416 37.312 38.000 -0.452 0.000 1.069 257 I HN 0.166 nan 8.210 nan 0.000 0.424 258 F N 0.529 120.453 119.950 -0.042 0.000 2.128 258 F HA -0.012 4.514 4.527 -0.001 0.000 0.295 258 F C 2.548 178.302 175.800 -0.077 0.000 1.100 258 F CA 1.104 59.074 58.000 -0.052 0.000 1.260 258 F CB -1.549 37.425 39.000 -0.044 0.000 1.009 258 F HN 0.085 nan 8.300 nan 0.000 0.476 259 A N -0.035 122.840 122.820 0.091 0.000 1.892 259 A HA -0.324 3.996 4.320 -0.001 0.000 0.218 259 A C 2.232 179.768 177.584 -0.081 0.000 1.188 259 A CA 2.115 54.133 52.037 -0.032 0.000 0.631 259 A CB -1.226 17.749 19.000 -0.042 0.000 0.822 259 A HN 0.508 nan 8.150 nan 0.000 0.447 260 Q N -0.328 119.441 119.800 -0.052 0.000 2.181 260 Q HA -0.238 4.102 4.340 -0.001 0.000 0.205 260 Q C 1.882 177.855 176.000 -0.045 0.000 0.980 260 Q CA 2.053 57.821 55.803 -0.058 0.000 0.862 260 Q CB -0.170 28.537 28.738 -0.051 0.000 0.905 260 Q HN 0.687 nan 8.270 nan 0.000 0.429 261 K N -0.115 120.278 120.400 -0.011 0.000 2.103 261 K HA -0.060 4.260 4.320 -0.001 0.000 0.204 261 K C 2.156 178.756 176.600 -0.001 0.000 1.052 261 K CA 1.257 57.556 56.287 0.020 0.000 0.945 261 K CB -0.136 32.418 32.500 0.090 0.000 0.722 261 K HN 0.298 nan 8.250 nan 0.000 0.443 262 M N 0.570 120.149 119.600 -0.034 0.000 2.254 262 M HA -0.078 4.402 4.480 -0.001 0.000 0.265 262 M C 1.750 177.939 176.300 -0.185 0.000 1.066 262 M CA 1.632 56.879 55.300 -0.088 0.000 1.123 262 M CB -0.148 32.380 32.600 -0.119 0.000 1.388 262 M HN 0.175 nan 8.290 nan 0.000 0.425 263 M N 0.026 119.454 119.600 -0.287 0.000 2.099 263 M HA -0.171 4.308 4.480 -0.001 0.000 0.262 263 M C 2.108 178.396 176.300 -0.020 0.000 1.067 263 M CA 1.491 56.559 55.300 -0.386 0.000 1.124 263 M CB -0.468 31.864 32.600 -0.446 0.000 1.353 263 M HN 0.209 nan 8.290 nan 0.000 0.410 264 I N 0.104 120.674 120.570 -0.001 0.000 2.264 264 I HA -0.303 3.867 4.170 -0.001 0.000 0.248 264 I C 2.544 178.710 176.117 0.082 0.000 1.111 264 I CA 1.478 62.814 61.300 0.060 0.000 1.382 264 I CB -0.676 37.353 38.000 0.048 0.000 1.060 264 I HN 0.466 nan 8.210 nan 0.000 0.418 265 E N 1.984 122.220 120.200 0.060 0.000 2.031 265 E HA -0.263 4.086 4.350 -0.001 0.000 0.193 265 E C 2.137 178.791 176.600 0.090 0.000 0.994 265 E CA 1.408 57.850 56.400 0.071 0.000 0.800 265 E CB -0.007 29.721 29.700 0.047 0.000 0.752 265 E HN 0.408 nan 8.360 nan 0.000 0.447 266 K N 0.094 120.563 120.400 0.115 0.000 2.074 266 K HA -0.173 4.147 4.320 -0.001 0.000 0.209 266 K C 2.408 179.105 176.600 0.163 0.000 1.048 266 K CA 1.710 58.103 56.287 0.178 0.000 0.926 266 K CB -0.299 32.414 32.500 0.355 0.000 0.713 266 K HN 0.294 nan 8.250 nan 0.000 0.444 267 C N 0.990 120.402 119.300 0.185 0.000 2.413 267 C HA -0.129 4.330 4.460 -0.001 0.000 0.278 267 C C 2.551 177.571 174.990 0.051 0.000 1.224 267 C CA 0.529 59.616 59.018 0.116 0.000 1.732 267 C CB -0.864 26.950 27.740 0.123 0.000 2.050 267 C HN 0.423 nan 8.230 nan 0.000 0.463 268 I N 0.596 121.195 120.570 0.048 0.000 2.113 268 I HA -0.325 3.844 4.170 -0.001 0.000 0.242 268 I C 2.840 178.936 176.117 -0.035 0.000 1.064 268 I CA 1.871 63.171 61.300 0.000 0.000 1.320 268 I CB -0.751 37.292 38.000 0.071 0.000 1.028 268 I HN 0.376 nan 8.210 nan 0.000 0.406 269 R N 0.680 121.183 120.500 0.005 0.000 2.083 269 R HA -0.157 4.183 4.340 -0.001 0.000 0.237 269 R C 2.292 178.582 176.300 -0.016 0.000 1.137 269 R CA 1.642 57.738 56.100 -0.007 0.000 0.951 269 R CB -0.470 29.849 30.300 0.031 0.000 0.851 269 R HN 0.426 nan 8.270 nan 0.000 0.434 270 A N 0.354 123.175 122.820 0.002 0.000 2.248 270 A HA -0.085 4.234 4.320 -0.001 0.000 0.210 270 A C 0.815 178.388 177.584 -0.018 0.000 1.174 270 A CA 0.938 52.972 52.037 -0.004 0.000 0.750 270 A CB -0.243 18.758 19.000 0.002 0.000 0.780 270 A HN 0.422 nan 8.150 nan 0.000 0.478 271 R N -2.473 118.005 120.500 -0.037 0.000 3.922 271 R HA -0.156 4.183 4.340 -0.001 0.000 0.447 271 R C -0.347 175.946 176.300 -0.013 0.000 1.035 271 R CA 1.796 57.874 56.100 -0.038 0.000 1.289 271 R CB -1.651 28.632 30.300 -0.028 0.000 1.906 271 R HN 0.587 nan 8.270 nan 0.000 0.540 272 K N 1.067 121.466 120.400 -0.003 0.000 2.118 272 K HA 0.428 4.747 4.320 -0.001 0.000 0.267 272 K C 0.398 177.012 176.600 0.025 0.000 0.991 272 K CA -0.266 56.035 56.287 0.022 0.000 0.916 272 K CB 1.682 34.188 32.500 0.011 0.000 1.041 272 K HN 0.019 nan 8.250 nan 0.000 0.455 273 V N -0.490 119.452 119.914 0.047 0.000 2.732 273 V HA 0.480 4.600 4.120 -0.001 0.000 0.297 273 V C -0.200 175.905 176.094 0.019 0.000 1.060 273 V CA -0.660 61.654 62.300 0.023 0.000 1.038 273 V CB 1.421 33.251 31.823 0.011 0.000 1.003 273 V HN 0.490 nan 8.190 nan 0.000 0.481 274 V N 5.720 125.638 119.914 0.007 0.000 2.686 274 V HA 0.572 4.691 4.120 -0.001 0.000 0.306 274 V C -0.490 175.601 176.094 -0.005 0.000 1.065 274 V CA -0.576 61.735 62.300 0.019 0.000 0.894 274 V CB 1.755 33.609 31.823 0.051 0.000 1.004 274 V HN 0.923 nan 8.190 nan 0.000 0.424 275 I N 5.415 125.976 120.570 -0.015 0.000 2.359 275 I HA 0.449 4.619 4.170 -0.001 0.000 0.294 275 I C -0.015 176.100 176.117 -0.003 0.000 0.987 275 I CA -0.263 61.021 61.300 -0.027 0.000 1.225 275 I CB 2.053 40.022 38.000 -0.053 0.000 1.366 275 I HN 0.544 nan 8.210 nan 0.000 0.466 276 T N 5.423 119.976 114.554 -0.002 0.000 2.770 276 T HA 0.560 4.910 4.350 -0.001 0.000 0.283 276 T C -0.153 174.547 174.700 -0.000 0.000 0.988 276 T CA -0.532 61.570 62.100 0.003 0.000 0.957 276 T CB 1.428 70.298 68.868 0.004 0.000 0.930 276 T HN 0.662 nan 8.240 nan 0.000 0.443 277 A N 3.457 126.278 122.820 0.002 0.000 2.258 277 A HA 0.687 5.007 4.320 -0.001 0.000 0.316 277 A C 0.840 178.425 177.584 0.001 0.000 1.279 277 A CA -0.738 51.301 52.037 0.004 0.000 0.876 277 A CB 0.197 19.203 19.000 0.010 0.000 1.170 277 A HN 0.837 nan 8.150 nan 0.000 0.520 278 T N -1.170 113.382 114.554 -0.002 0.000 2.920 278 T HA 0.722 5.071 4.350 -0.001 0.000 0.292 278 T C 1.097 175.795 174.700 -0.004 0.000 1.093 278 T CA 0.176 62.272 62.100 -0.007 0.000 0.944 278 T CB 0.021 68.882 68.868 -0.012 0.000 1.605 278 T HN 1.373 nan 8.240 nan 0.000 0.590 290 P HA 0.474 nan 4.420 nan 0.000 0.274 290 P C 0.084 177.381 177.300 -0.005 0.000 1.246 290 P CA 0.002 63.099 63.100 -0.004 0.000 0.795 290 P CB 0.884 32.581 31.700 -0.004 0.000 1.006 291 T N -2.158 112.393 114.554 -0.006 0.000 2.918 291 T HA 0.073 4.423 4.350 -0.001 0.000 0.302 291 T C 0.715 175.410 174.700 -0.008 0.000 1.045 291 T CA -0.400 61.696 62.100 -0.007 0.000 1.114 291 T CB 0.405 69.268 68.868 -0.008 0.000 0.965 291 T HN 0.212 nan 8.240 nan 0.000 0.540 292 D N 1.685 122.080 120.400 -0.008 0.000 2.221 292 D HA -0.051 4.588 4.640 -0.001 0.000 0.204 292 D C 2.268 178.561 176.300 -0.013 0.000 0.982 292 D CA 1.514 55.508 54.000 -0.010 0.000 0.857 292 D CB -0.637 40.157 40.800 -0.010 0.000 0.934 292 D HN 0.791 nan 8.370 nan 0.000 0.475 293 A N 0.768 123.579 122.820 -0.013 0.000 1.917 293 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 293 A C 2.055 179.627 177.584 -0.019 0.000 1.182 293 A CA 1.739 53.766 52.037 -0.017 0.000 0.633 293 A CB -0.453 18.537 19.000 -0.017 0.000 0.819 293 A HN 0.283 nan 8.150 nan 0.000 0.448 294 E N -0.453 119.738 120.200 -0.015 0.000 2.051 294 E HA 0.043 4.392 4.350 -0.001 0.000 0.189 294 E C 2.303 178.896 176.600 -0.012 0.000 0.979 294 E CA 0.761 57.153 56.400 -0.013 0.000 0.803 294 E CB -0.308 29.386 29.700 -0.010 0.000 0.761 294 E HN 0.573 nan 8.360 nan 0.000 0.451 295 A N 1.118 123.932 122.820 -0.010 0.000 2.019 295 A HA -0.085 4.234 4.320 -0.001 0.000 0.219 295 A C 2.267 179.844 177.584 -0.011 0.000 1.164 295 A CA 1.638 53.670 52.037 -0.009 0.000 0.644 295 A CB -0.704 18.292 19.000 -0.007 0.000 0.805 295 A HN 0.344 nan 8.150 nan 0.000 0.449 296 G N -1.396 107.395 108.800 -0.015 0.000 2.744 296 G HA2 0.005 3.965 3.960 -0.001 0.000 0.211 296 G HA3 0.005 3.965 3.960 -0.001 0.000 0.211 296 G C 1.127 176.013 174.900 -0.024 0.000 1.146 296 G CA 0.932 46.021 45.100 -0.018 0.000 0.787 296 G HN 0.420 nan 8.290 nan 0.000 0.534 297 D N 0.309 120.694 120.400 -0.024 0.000 2.178 297 D HA -0.067 4.573 4.640 -0.001 0.000 0.202 297 D C 2.610 178.895 176.300 -0.024 0.000 0.974 297 D CA 0.403 54.385 54.000 -0.030 0.000 0.841 297 D CB 0.104 40.886 40.800 -0.029 0.000 0.953 297 D HN 0.131 nan 8.370 nan 0.000 0.478 298 V N 0.919 120.823 119.914 -0.016 0.000 2.221 298 V HA -0.224 3.896 4.120 -0.001 0.000 0.242 298 V C 2.602 178.691 176.094 -0.008 0.000 1.041 298 V CA 1.912 64.207 62.300 -0.009 0.000 0.995 298 V CB -1.082 30.738 31.823 -0.005 0.000 0.635 298 V HN 0.256 nan 8.190 nan 0.000 0.448 299 A N 0.353 123.168 122.820 -0.009 0.000 1.940 299 A HA -0.322 3.998 4.320 -0.001 0.000 0.221 299 A C 2.040 179.615 177.584 -0.014 0.000 1.190 299 A CA 2.451 54.483 52.037 -0.008 0.000 0.647 299 A CB -0.850 18.144 19.000 -0.010 0.000 0.821 299 A HN 0.650 nan 8.150 nan 0.000 0.457 300 N N 0.057 118.743 118.700 -0.022 0.000 2.142 300 N HA -0.101 4.639 4.740 -0.001 0.000 0.186 300 N C 1.995 177.491 175.510 -0.024 0.000 1.023 300 N CA 1.524 54.557 53.050 -0.030 0.000 0.852 300 N CB -0.611 37.851 38.487 -0.043 0.000 0.998 300 N HN 0.488 nan 8.380 nan 0.000 0.424 301 A N 1.659 124.468 122.820 -0.018 0.000 1.917 301 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 301 A C 2.306 179.896 177.584 0.010 0.000 1.182 301 A CA 1.097 53.130 52.037 -0.007 0.000 0.633 301 A CB -0.733 18.264 19.000 -0.005 0.000 0.819 301 A HN 0.243 nan 8.150 nan 0.000 0.448 302 I N -0.584 119.993 120.570 0.012 0.000 2.315 302 I HA -0.232 3.938 4.170 -0.001 0.000 0.248 302 I C 2.205 178.330 176.117 0.013 0.000 1.117 302 I CA 1.020 62.338 61.300 0.030 0.000 1.404 302 I CB -0.352 37.664 38.000 0.027 0.000 1.071 302 I HN 0.281 nan 8.210 nan 0.000 0.419 303 L N 0.132 121.345 121.223 -0.017 0.000 2.217 303 L HA -0.167 4.173 4.340 -0.001 0.000 0.211 303 L C 1.855 178.684 176.870 -0.070 0.000 1.107 303 L CA 0.924 55.733 54.840 -0.053 0.000 0.783 303 L CB -0.584 41.446 42.059 -0.048 0.000 0.919 303 L HN 0.203 nan 8.230 nan 0.000 0.442 304 D N 0.462 120.843 120.400 -0.032 0.000 2.350 304 D HA -0.058 4.582 4.640 -0.001 0.000 0.216 304 D C 1.574 177.874 176.300 0.000 0.000 0.968 304 D CA 1.295 55.282 54.000 -0.021 0.000 0.894 304 D CB 0.147 40.946 40.800 -0.002 0.000 0.909 304 D HN 0.429 nan 8.370 nan 0.000 0.520 305 G N 0.631 109.450 108.800 0.033 0.000 2.141 305 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.195 305 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.195 305 G C 0.449 175.518 174.900 0.281 0.000 1.012 305 G CA 0.250 45.485 45.100 0.226 0.000 0.696 305 G HN 0.359 nan 8.290 nan 0.000 0.508 306 T N -0.211 114.429 114.554 0.143 0.000 2.926 306 T HA 0.316 4.666 4.350 -0.001 0.000 0.307 306 T C 1.419 176.166 174.700 0.079 0.000 1.059 306 T CA 0.656 62.810 62.100 0.090 0.000 1.122 306 T CB 0.407 69.305 68.868 0.049 0.000 0.972 306 T HN 0.197 nan 8.240 nan 0.000 0.545 307 D N 1.818 122.238 120.400 0.033 0.000 2.162 307 D HA 0.192 4.832 4.640 -0.001 0.000 0.203 307 D C 0.446 176.745 176.300 -0.000 0.000 0.967 307 D CA 0.656 54.657 54.000 0.002 0.000 0.840 307 D CB 0.353 41.137 40.800 -0.026 0.000 0.972 307 D HN 0.650 nan 8.370 nan 0.000 0.482 308 A N 0.275 123.092 122.820 -0.006 0.000 2.589 308 A HA 0.473 4.792 4.320 -0.001 0.000 0.296 308 A C -0.877 176.701 177.584 -0.010 0.000 1.062 308 A CA -0.739 51.290 52.037 -0.014 0.000 0.686 308 A CB 1.576 20.551 19.000 -0.042 0.000 1.282 308 A HN -0.067 nan 8.150 nan 0.000 0.404 309 V N 0.028 119.938 119.914 -0.006 0.000 2.472 309 V HA 0.842 4.962 4.120 -0.001 0.000 0.290 309 V C -0.014 176.075 176.094 -0.008 0.000 1.037 309 V CA -0.645 61.653 62.300 -0.004 0.000 0.908 309 V CB 1.297 33.122 31.823 0.002 0.000 0.985 309 V HN 1.121 nan 8.190 nan 0.000 0.454 310 M N 5.201 124.798 119.600 -0.006 0.000 2.528 310 M HA 0.620 5.100 4.480 -0.001 0.000 0.321 310 M C -1.809 174.493 176.300 0.003 0.000 1.153 310 M CA -0.800 54.498 55.300 -0.004 0.000 0.951 310 M CB 2.177 34.774 32.600 -0.005 0.000 1.705 310 M HN 0.723 nan 8.290 nan 0.000 0.451 311 L N 3.105 124.331 121.223 0.006 0.000 2.275 311 L HA 0.401 4.740 4.340 -0.001 0.000 0.288 311 L C 0.147 177.026 176.870 0.015 0.000 1.046 311 L CA -0.390 54.455 54.840 0.009 0.000 0.805 311 L CB 1.787 43.851 42.059 0.008 0.000 1.193 311 L HN 0.870 nan 8.230 nan 0.000 0.426 312 S N 1.551 117.260 115.700 0.015 0.000 2.301 312 S HA 0.163 4.633 4.470 -0.001 0.000 0.245 312 S C 1.473 176.082 174.600 0.015 0.000 1.191 312 S CA 0.094 58.307 58.200 0.021 0.000 1.032 312 S CB 0.185 63.401 63.200 0.026 0.000 1.104 312 S HN 0.865 nan 8.310 nan 0.000 0.453 313 G N 0.612 109.419 108.800 0.011 0.000 2.724 313 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.213 313 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.213 313 G C 0.326 175.220 174.900 -0.010 0.000 1.137 313 G CA 0.841 45.938 45.100 -0.005 0.000 0.745 313 G HN 0.564 nan 8.290 nan 0.000 0.567 322 L N 1.227 122.451 121.223 0.002 0.000 2.179 322 L HA 0.103 4.442 4.340 -0.001 0.000 0.208 322 L C 2.035 178.907 176.870 0.004 0.000 1.096 322 L CA 2.032 56.874 54.840 0.004 0.000 0.779 322 L CB -0.292 41.770 42.059 0.004 0.000 0.922 322 L HN -0.046 nan 8.230 nan 0.000 0.443 323 E N -0.180 120.021 120.200 0.002 0.000 2.072 323 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 323 E C 2.276 178.877 176.600 0.003 0.000 0.985 323 E CA 1.272 57.673 56.400 0.002 0.000 0.801 323 E CB -0.624 29.076 29.700 0.001 0.000 0.750 323 E HN 0.504 nan 8.360 nan 0.000 0.452 324 A N 0.786 123.607 122.820 0.002 0.000 1.892 324 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 324 A C 2.487 180.073 177.584 0.004 0.000 1.188 324 A CA 1.864 53.903 52.037 0.002 0.000 0.631 324 A CB -1.017 17.984 19.000 0.002 0.000 0.822 324 A HN 0.147 nan 8.150 nan 0.000 0.447 325 V N -0.218 119.700 119.914 0.005 0.000 2.220 325 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 325 V C 2.769 178.867 176.094 0.007 0.000 1.049 325 V CA 2.515 64.819 62.300 0.007 0.000 1.003 325 V CB -1.105 30.723 31.823 0.009 0.000 0.634 325 V HN 0.576 nan 8.190 nan 0.000 0.444 326 S N -0.409 115.295 115.700 0.007 0.000 2.402 326 S HA -0.204 4.265 4.470 -0.001 0.000 0.233 326 S C 1.834 176.438 174.600 0.007 0.000 1.030 326 S CA 1.823 60.028 58.200 0.007 0.000 1.003 326 S CB -0.435 62.770 63.200 0.007 0.000 0.813 326 S HN 0.463 nan 8.310 nan 0.000 0.477 327 I N 0.831 121.404 120.570 0.005 0.000 2.286 327 I HA -0.032 4.137 4.170 -0.001 0.000 0.245 327 I C 2.115 178.235 176.117 0.005 0.000 1.104 327 I CA 1.118 62.421 61.300 0.004 0.000 1.397 327 I CB -0.354 37.648 38.000 0.002 0.000 1.072 327 I HN 0.185 nan 8.210 nan 0.000 0.417 328 M N 0.573 120.176 119.600 0.005 0.000 2.117 328 M HA -0.093 4.386 4.480 -0.001 0.000 0.262 328 M C 2.200 178.504 176.300 0.008 0.000 1.065 328 M CA 2.178 57.481 55.300 0.006 0.000 1.114 328 M CB -0.748 31.856 32.600 0.006 0.000 1.361 328 M HN 0.281 nan 8.290 nan 0.000 0.408 329 A N -1.260 121.565 122.820 0.009 0.000 1.972 329 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 329 A C 2.197 179.788 177.584 0.012 0.000 1.169 329 A CA 2.140 54.184 52.037 0.011 0.000 0.635 329 A CB -1.462 17.546 19.000 0.012 0.000 0.810 329 A HN 0.676 nan 8.150 nan 0.000 0.446 330 T N -2.775 111.784 114.554 0.010 0.000 3.067 330 T HA 0.158 4.507 4.350 -0.001 0.000 0.261 330 T C 1.692 176.398 174.700 0.009 0.000 1.110 330 T CA 0.943 63.048 62.100 0.010 0.000 1.113 330 T CB -0.366 68.507 68.868 0.008 0.000 0.917 330 T HN 0.341 nan 8.240 nan 0.000 0.499 331 I N 0.482 121.057 120.570 0.008 0.000 2.333 331 I HA -0.037 4.132 4.170 -0.001 0.000 0.246 331 I C 2.658 178.782 176.117 0.010 0.000 1.106 331 I CA 0.446 61.750 61.300 0.007 0.000 1.411 331 I CB -0.365 37.637 38.000 0.004 0.000 1.082 331 I HN 0.338 nan 8.210 nan 0.000 0.420 332 C N 0.541 119.848 119.300 0.013 0.000 2.432 332 C HA -0.159 4.300 4.460 -0.001 0.000 0.277 332 C C 2.846 177.849 174.990 0.022 0.000 1.249 332 C CA 0.919 59.948 59.018 0.019 0.000 1.725 332 C CB -0.861 26.891 27.740 0.020 0.000 2.028 332 C HN 0.516 nan 8.230 nan 0.000 0.477 333 E N 1.406 121.618 120.200 0.019 0.000 2.031 333 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 333 E C 2.286 178.897 176.600 0.019 0.000 0.994 333 E CA 1.494 57.907 56.400 0.021 0.000 0.800 333 E CB -0.413 29.299 29.700 0.020 0.000 0.752 333 E HN 0.452 nan 8.360 nan 0.000 0.447 334 R N 0.258 120.767 120.500 0.014 0.000 2.103 334 R HA -0.091 4.249 4.340 -0.001 0.000 0.242 334 R C 2.258 178.564 176.300 0.011 0.000 1.142 334 R CA 2.453 58.560 56.100 0.011 0.000 0.960 334 R CB -1.013 29.292 30.300 0.007 0.000 0.858 334 R HN 0.170 nan 8.270 nan 0.000 0.439 335 T N 0.449 115.010 114.554 0.011 0.000 2.985 335 T HA -0.004 4.345 4.350 -0.001 0.000 0.266 335 T C 0.865 175.575 174.700 0.016 0.000 1.076 335 T CA 1.120 63.225 62.100 0.009 0.000 1.135 335 T CB -0.146 68.727 68.868 0.009 0.000 0.890 335 T HN 0.256 nan 8.240 nan 0.000 0.480 336 D N 1.927 122.343 120.400 0.026 0.000 2.149 336 D HA -0.058 4.582 4.640 -0.001 0.000 0.201 336 D C 2.138 178.460 176.300 0.037 0.000 0.972 336 D CA 0.685 54.709 54.000 0.040 0.000 0.835 336 D CB -0.262 40.568 40.800 0.050 0.000 0.966 336 D HN 0.515 nan 8.370 nan 0.000 0.476 337 R N 0.972 121.489 120.500 0.028 0.000 2.366 337 R HA -0.006 4.333 4.340 -0.001 0.000 0.201 337 R C 0.865 177.177 176.300 0.020 0.000 1.057 337 R CA 0.659 56.774 56.100 0.026 0.000 1.086 337 R CB -0.186 30.128 30.300 0.022 0.000 0.914 337 R HN 0.204 nan 8.270 nan 0.000 0.476 338 V N -4.169 115.754 119.914 0.015 0.000 3.372 338 V HA 0.356 4.475 4.120 -0.001 0.000 0.304 338 V C 0.416 176.510 176.094 -0.001 0.000 1.530 338 V CA -0.675 61.629 62.300 0.007 0.000 1.080 338 V CB -0.105 31.718 31.823 0.001 0.000 0.929 338 V HN 0.085 nan 8.190 nan 0.000 0.455 339 M N 1.912 121.514 119.600 0.003 0.000 2.197 339 M HA 0.506 4.986 4.480 -0.001 0.000 0.305 339 M C -0.201 176.097 176.300 -0.003 0.000 1.162 339 M CA 0.264 55.552 55.300 -0.021 0.000 1.099 339 M CB 0.707 33.285 32.600 -0.037 0.000 1.430 339 M HN 0.299 nan 8.290 nan 0.000 0.481 340 N N -0.382 118.303 118.700 -0.026 0.000 2.357 340 N HA 0.343 5.083 4.740 -0.001 0.000 0.284 340 N C -1.138 174.398 175.510 0.043 0.000 1.236 340 N CA -0.489 52.572 53.050 0.018 0.000 0.774 340 N CB 1.727 40.217 38.487 0.005 0.000 1.534 340 N HN 0.742 nan 8.380 nan 0.000 0.478 341 S N 0.376 116.137 115.700 0.101 0.000 2.563 341 S HA 0.146 4.616 4.470 -0.001 0.000 0.269 341 S C 0.182 174.868 174.600 0.144 0.000 1.364 341 S CA -0.099 58.205 58.200 0.173 0.000 1.010 341 S CB 0.597 63.893 63.200 0.161 0.000 0.877 341 S HN 0.506 nan 8.310 nan 0.000 0.549 342 R N 1.008 121.645 120.500 0.229 0.000 2.653 342 R HA 0.291 4.631 4.340 -0.001 0.000 0.269 342 R C 0.272 176.734 176.300 0.270 0.000 1.603 342 R CA -0.182 56.036 56.100 0.197 0.000 1.671 342 R CB -0.059 30.355 30.300 0.190 0.000 1.300 342 R HN 0.591 nan 8.270 nan 0.000 0.668 343 L N 0.795 122.128 121.223 0.183 0.000 2.141 343 L HA -0.092 4.248 4.340 -0.001 0.000 0.209 343 L C 1.781 178.712 176.870 0.102 0.000 1.094 343 L CA 1.413 56.327 54.840 0.123 0.000 0.763 343 L CB -0.682 41.407 42.059 0.049 0.000 0.908 343 L HN 0.549 nan 8.230 nan 0.000 0.437 355 T N 1.626 116.201 114.554 0.036 0.000 2.788 355 T HA -0.114 4.236 4.350 -0.001 0.000 0.268 355 T C 1.533 176.278 174.700 0.075 0.000 1.044 355 T CA 1.630 63.759 62.100 0.048 0.000 1.139 355 T CB -0.132 68.765 68.868 0.049 0.000 0.867 355 T HN 0.258 nan 8.240 nan 0.000 0.454 356 E N 1.702 121.956 120.200 0.090 0.000 2.005 356 E HA -0.118 4.232 4.350 -0.001 0.000 0.198 356 E C 2.704 179.329 176.600 0.041 0.000 1.010 356 E CA 1.399 57.883 56.400 0.140 0.000 0.825 356 E CB -1.024 28.758 29.700 0.137 0.000 0.769 356 E HN 0.487 nan 8.360 nan 0.000 0.456 357 A N 1.306 124.137 122.820 0.018 0.000 1.927 357 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 357 A C 2.682 180.244 177.584 -0.037 0.000 1.185 357 A CA 2.198 54.223 52.037 -0.020 0.000 0.639 357 A CB -0.890 18.108 19.000 -0.003 0.000 0.820 357 A HN 0.149 nan 8.150 nan 0.000 0.451 358 V N -1.227 118.682 119.914 -0.007 0.000 2.323 358 V HA -0.282 3.838 4.120 -0.001 0.000 0.244 358 V C 2.656 178.738 176.094 -0.019 0.000 1.041 358 V CA 1.961 64.260 62.300 -0.002 0.000 1.025 358 V CB -1.005 30.832 31.823 0.024 0.000 0.656 358 V HN 0.726 nan 8.190 nan 0.000 0.451 359 C N -0.542 118.756 119.300 -0.003 0.000 2.429 359 C HA -0.142 4.317 4.460 -0.001 0.000 0.277 359 C C 2.899 177.772 174.990 -0.195 0.000 1.262 359 C CA 1.123 60.144 59.018 0.005 0.000 1.733 359 C CB -1.161 26.677 27.740 0.163 0.000 2.010 359 C HN 0.494 nan 8.230 nan 0.000 0.483 360 R N 0.685 120.903 120.500 -0.470 0.000 2.073 360 R HA -0.106 4.233 4.340 -0.001 0.000 0.234 360 R C 2.379 178.485 176.300 -0.324 0.000 1.134 360 R CA 1.865 57.491 56.100 -0.790 0.000 0.952 360 R CB -0.778 29.131 30.300 -0.651 0.000 0.850 360 R HN 0.601 nan 8.270 nan 0.000 0.433 361 G N 0.074 108.760 108.800 -0.189 0.000 2.440 361 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.218 361 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.218 361 G C 1.494 176.358 174.900 -0.060 0.000 1.154 361 G CA 0.956 45.998 45.100 -0.097 0.000 0.767 361 G HN 0.491 nan 8.290 nan 0.000 0.552 362 A N 0.279 123.074 122.820 -0.043 0.000 1.859 362 A HA -0.040 4.280 4.320 -0.001 0.000 0.217 362 A C 2.649 180.235 177.584 0.003 0.000 1.198 362 A CA 2.383 54.423 52.037 0.004 0.000 0.629 362 A CB -0.963 18.059 19.000 0.038 0.000 0.830 362 A HN 0.343 nan 8.150 nan 0.000 0.446 363 V N 0.331 120.239 119.914 -0.010 0.000 2.231 363 V HA -0.362 3.758 4.120 -0.001 0.000 0.248 363 V C 2.578 178.677 176.094 0.008 0.000 1.054 363 V CA 2.631 64.942 62.300 0.019 0.000 1.015 363 V CB -1.084 30.765 31.823 0.043 0.000 0.638 363 V HN 0.831 nan 8.190 nan 0.000 0.444 364 E N 0.270 120.453 120.200 -0.028 0.000 2.048 364 E HA -0.309 4.040 4.350 -0.001 0.000 0.202 364 E C 2.140 178.739 176.600 -0.003 0.000 1.021 364 E CA 2.480 58.871 56.400 -0.016 0.000 0.825 364 E CB -0.362 29.314 29.700 -0.040 0.000 0.756 364 E HN 0.638 nan 8.360 nan 0.000 0.454 365 T N 0.655 115.204 114.554 -0.008 0.000 2.833 365 T HA -0.109 4.241 4.350 -0.001 0.000 0.269 365 T C 1.814 176.519 174.700 0.008 0.000 1.054 365 T CA 1.154 63.252 62.100 -0.002 0.000 1.135 365 T CB -0.357 68.509 68.868 -0.004 0.000 0.869 365 T HN 0.417 nan 8.240 nan 0.000 0.466 366 A N 1.966 124.796 122.820 0.016 0.000 1.865 366 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 366 A C 2.249 179.849 177.584 0.027 0.000 1.191 366 A CA 1.749 53.803 52.037 0.028 0.000 0.623 366 A CB -0.590 18.434 19.000 0.040 0.000 0.826 366 A HN 0.571 nan 8.150 nan 0.000 0.444 367 E N -0.156 120.060 120.200 0.028 0.000 2.051 367 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 367 E C 2.131 178.743 176.600 0.020 0.000 0.991 367 E CA 1.394 57.811 56.400 0.029 0.000 0.799 367 E CB -0.234 29.487 29.700 0.035 0.000 0.748 367 E HN 0.590 nan 8.360 nan 0.000 0.449 368 K N 0.735 121.143 120.400 0.013 0.000 2.044 368 K HA -0.152 4.168 4.320 -0.001 0.000 0.210 368 K C 2.164 178.768 176.600 0.008 0.000 1.049 368 K CA 1.201 57.492 56.287 0.008 0.000 0.927 368 K CB -0.268 32.234 32.500 0.002 0.000 0.713 368 K HN 0.139 nan 8.250 nan 0.000 0.443 369 L N 0.781 122.008 121.223 0.007 0.000 2.551 369 L HA -0.074 4.266 4.340 -0.001 0.000 0.228 369 L C -0.291 176.587 176.870 0.013 0.000 1.153 369 L CA 0.343 55.187 54.840 0.006 0.000 0.851 369 L CB -0.404 41.657 42.059 0.003 0.000 0.959 369 L HN 0.282 nan 8.230 nan 0.000 0.451 370 D N -0.383 120.027 120.400 0.018 0.000 2.873 370 D HA -0.129 4.510 4.640 -0.001 0.000 0.228 370 D C 0.357 176.673 176.300 0.027 0.000 1.122 370 D CA 0.953 54.966 54.000 0.022 0.000 0.758 370 D CB -0.931 39.881 40.800 0.020 0.000 1.094 370 D HN 0.355 nan 8.370 nan 0.000 0.434 371 A N 0.876 123.713 122.820 0.028 0.000 2.409 371 A HA 0.459 4.778 4.320 -0.001 0.000 0.267 371 A C -0.695 176.910 177.584 0.035 0.000 1.127 371 A CA -0.798 51.257 52.037 0.031 0.000 0.795 371 A CB 0.643 19.661 19.000 0.031 0.000 1.061 371 A HN -0.042 nan 8.150 nan 0.000 0.502 372 P HA 0.052 nan 4.420 nan 0.000 0.229 372 P C -0.007 177.312 177.300 0.032 0.000 1.160 372 P CA 0.727 63.850 63.100 0.038 0.000 0.777 372 P CB 0.063 31.790 31.700 0.045 0.000 0.814 373 L N -1.462 119.777 121.223 0.028 0.000 2.654 373 L HA 0.547 4.887 4.340 -0.001 0.000 0.257 373 L C -1.655 175.237 176.870 0.037 0.000 1.093 373 L CA -1.258 53.598 54.840 0.027 0.000 0.903 373 L CB 1.833 43.896 42.059 0.008 0.000 1.520 373 L HN -0.354 nan 8.230 nan 0.000 0.402 374 I N 1.892 122.488 120.570 0.044 0.000 2.588 374 I HA 0.278 4.448 4.170 -0.001 0.000 0.278 374 I C -0.990 175.173 176.117 0.077 0.000 1.144 374 I CA -0.524 60.814 61.300 0.063 0.000 1.074 374 I CB 1.766 39.810 38.000 0.073 0.000 1.235 374 I HN 0.192 nan 8.210 nan 0.000 0.472 375 V N 6.336 126.295 119.914 0.075 0.000 2.715 375 V HA 0.335 4.454 4.120 -0.001 0.000 0.299 375 V C 0.188 176.423 176.094 0.235 0.000 1.054 375 V CA -0.118 62.244 62.300 0.104 0.000 1.077 375 V CB 1.402 33.236 31.823 0.019 0.000 0.972 375 V HN 0.397 nan 8.190 nan 0.000 0.484 376 V N 2.654 122.716 119.914 0.246 0.000 2.888 376 V HA 0.779 4.899 4.120 -0.001 0.000 0.309 376 V C -0.075 176.104 176.094 0.142 0.000 1.114 376 V CA -0.706 61.732 62.300 0.230 0.000 0.940 376 V CB 2.012 33.902 31.823 0.110 0.000 1.021 376 V HN 1.024 nan 8.190 nan 0.000 0.426 377 A N 1.846 124.604 122.820 -0.104 0.000 2.288 377 A HA 0.885 5.205 4.320 -0.001 0.000 0.320 377 A C -0.212 177.273 177.584 -0.164 0.000 1.217 377 A CA -0.444 51.450 52.037 -0.238 0.000 0.840 377 A CB 1.424 19.995 19.000 -0.716 0.000 1.179 377 A HN 0.912 nan 8.150 nan 0.000 0.504 378 T N 0.460 114.956 114.554 -0.096 0.000 2.956 378 T HA 0.356 4.705 4.350 -0.001 0.000 0.312 378 T C 0.085 174.747 174.700 -0.063 0.000 1.151 378 T CA -0.329 61.729 62.100 -0.071 0.000 1.024 378 T CB 1.633 70.480 68.868 -0.034 0.000 1.140 378 T HN 0.615 nan 8.240 nan 0.000 0.473 379 Q N 2.698 122.463 119.800 -0.059 0.000 2.385 379 Q HA 0.290 4.629 4.340 -0.001 0.000 0.195 379 Q C 1.914 177.893 176.000 -0.036 0.000 0.977 379 Q CA 1.651 57.423 55.803 -0.052 0.000 0.856 379 Q CB -0.421 28.285 28.738 -0.054 0.000 0.986 379 Q HN 0.864 nan 8.270 nan 0.000 0.558 380 G N -0.794 107.992 108.800 -0.023 0.000 3.088 380 G HA2 0.249 4.208 3.960 -0.001 0.000 0.212 380 G HA3 0.249 4.208 3.960 -0.001 0.000 0.212 380 G C 0.887 175.803 174.900 0.026 0.000 1.173 380 G CA 0.598 45.699 45.100 0.002 0.000 0.779 380 G HN 0.607 nan 8.290 nan 0.000 0.540 381 G N 0.622 109.425 108.800 0.005 0.000 2.212 381 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.266 381 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.266 381 G C 1.373 176.287 174.900 0.023 0.000 0.978 381 G CA 0.980 46.087 45.100 0.013 0.000 0.632 381 G HN 0.547 nan 8.290 nan 0.000 0.537 382 K N 0.888 121.302 120.400 0.022 0.000 2.059 382 K HA -0.191 4.129 4.320 -0.001 0.000 0.212 382 K C 2.914 179.523 176.600 0.016 0.000 1.050 382 K CA 2.176 58.475 56.287 0.020 0.000 0.927 382 K CB -0.394 32.112 32.500 0.010 0.000 0.714 382 K HN 0.744 nan 8.250 nan 0.000 0.447 383 S N 0.739 116.444 115.700 0.008 0.000 2.423 383 S HA -0.074 4.396 4.470 -0.001 0.000 0.231 383 S C 2.232 176.849 174.600 0.028 0.000 1.014 383 S CA 0.882 59.092 58.200 0.017 0.000 0.965 383 S CB -0.178 63.022 63.200 0.001 0.000 0.785 383 S HN 0.333 nan 8.310 nan 0.000 0.495 384 A N 2.375 125.207 122.820 0.021 0.000 1.897 384 A HA 0.052 4.372 4.320 -0.001 0.000 0.215 384 A C 2.386 179.978 177.584 0.014 0.000 1.181 384 A CA 1.075 53.127 52.037 0.024 0.000 0.620 384 A CB -0.574 18.438 19.000 0.019 0.000 0.821 384 A HN 0.516 nan 8.150 nan 0.000 0.443 385 R N -0.475 120.031 120.500 0.010 0.000 2.088 385 R HA -0.161 4.179 4.340 -0.001 0.000 0.232 385 R C 2.540 178.823 176.300 -0.029 0.000 1.136 385 R CA 1.474 57.568 56.100 -0.010 0.000 0.926 385 R CB -0.630 29.674 30.300 0.007 0.000 0.837 385 R HN 0.495 nan 8.270 nan 0.000 0.429 386 A N 0.531 123.353 122.820 0.003 0.000 1.927 386 A HA -0.188 4.132 4.320 -0.001 0.000 0.220 386 A C 2.383 180.025 177.584 0.097 0.000 1.185 386 A CA 1.937 53.995 52.037 0.035 0.000 0.639 386 A CB -0.699 18.346 19.000 0.075 0.000 0.820 386 A HN 0.180 nan 8.150 nan 0.000 0.451 387 V N 0.335 120.308 119.914 0.098 0.000 2.283 387 V HA -0.185 3.935 4.120 -0.001 0.000 0.243 387 V C 2.691 178.839 176.094 0.091 0.000 1.039 387 V CA 1.900 64.290 62.300 0.151 0.000 1.016 387 V CB -0.767 31.119 31.823 0.104 0.000 0.650 387 V HN 0.679 nan 8.190 nan 0.000 0.449 388 R N 1.239 121.732 120.500 -0.012 0.000 2.261 388 R HA -0.221 4.118 4.340 -0.001 0.000 0.236 388 R C 2.110 178.243 176.300 -0.279 0.000 1.141 388 R CA 1.864 57.898 56.100 -0.111 0.000 1.001 388 R CB -0.575 29.658 30.300 -0.111 0.000 0.866 388 R HN 0.601 nan 8.270 nan 0.000 0.468 389 K N -0.120 120.090 120.400 -0.315 0.000 2.063 389 K HA -0.183 4.137 4.320 -0.001 0.000 0.208 389 K C 1.007 177.242 176.600 -0.608 0.000 1.048 389 K CA 1.592 57.536 56.287 -0.571 0.000 0.928 389 K CB -0.227 31.820 32.500 -0.754 0.000 0.713 389 K HN 0.229 nan 8.250 nan 0.000 0.442 390 Y N -0.135 120.153 120.300 -0.021 0.000 2.553 390 Y HA 0.111 4.661 4.550 -0.001 0.000 0.303 390 Y C -0.423 175.626 175.900 0.248 0.000 1.194 390 Y CA 0.020 58.195 58.100 0.125 0.000 1.305 390 Y CB -0.633 37.875 38.460 0.081 0.000 1.045 390 Y HN -0.029 nan 8.280 nan 0.000 0.514 391 F N -1.729 118.266 119.950 0.076 0.000 2.969 391 F HA -0.233 4.293 4.527 -0.001 0.000 0.273 391 F C -2.212 173.636 175.800 0.080 0.000 0.986 391 F CA -1.146 56.892 58.000 0.063 0.000 0.926 391 F CB -1.878 37.149 39.000 0.045 0.000 0.887 391 F HN 0.054 nan 8.300 nan 0.000 0.816 392 P HA -0.023 nan 4.420 nan 0.000 0.269 392 P C 0.745 178.119 177.300 0.123 0.000 1.211 392 P CA 0.235 63.422 63.100 0.146 0.000 0.781 392 P CB 0.697 32.460 31.700 0.106 0.000 0.877 393 D N -0.063 120.396 120.400 0.098 0.000 2.271 393 D HA 0.044 4.684 4.640 -0.001 0.000 0.206 393 D C 0.873 177.213 176.300 0.067 0.000 0.967 393 D CA 0.637 54.685 54.000 0.080 0.000 0.867 393 D CB -0.194 40.645 40.800 0.065 0.000 0.960 393 D HN 0.354 nan 8.370 nan 0.000 0.509 394 A N 0.460 123.317 122.820 0.063 0.000 2.332 394 A HA 0.415 4.734 4.320 -0.001 0.000 0.258 394 A C 0.454 178.068 177.584 0.050 0.000 1.087 394 A CA -0.194 51.875 52.037 0.052 0.000 0.802 394 A CB 0.374 19.403 19.000 0.049 0.000 1.042 394 A HN -0.017 nan 8.150 nan 0.000 0.489 395 T N 1.619 116.198 114.554 0.041 0.000 2.907 395 T HA 0.408 4.758 4.350 -0.001 0.000 0.298 395 T C 0.164 174.886 174.700 0.036 0.000 1.017 395 T CA 0.324 62.446 62.100 0.036 0.000 1.118 395 T CB 0.143 69.028 68.868 0.029 0.000 0.948 395 T HN 0.371 nan 8.240 nan 0.000 0.531 396 I N 3.295 123.887 120.570 0.035 0.000 2.342 396 I HA 0.292 4.461 4.170 -0.001 0.000 0.291 396 I C -0.342 175.796 176.117 0.036 0.000 1.010 396 I CA -0.709 60.615 61.300 0.040 0.000 1.308 396 I CB 0.966 38.989 38.000 0.038 0.000 1.400 396 I HN 0.298 nan 8.210 nan 0.000 0.488 397 L N 7.611 128.858 121.223 0.041 0.000 2.276 397 L HA 0.675 5.015 4.340 -0.001 0.000 0.286 397 L C -0.077 176.823 176.870 0.051 0.000 1.024 397 L CA -0.148 54.712 54.840 0.034 0.000 0.826 397 L CB 0.899 42.972 42.059 0.023 0.000 1.211 397 L HN 0.669 nan 8.230 nan 0.000 0.422 398 A N 5.401 128.246 122.820 0.042 0.000 2.276 398 A HA 0.697 5.017 4.320 -0.001 0.000 0.316 398 A C -1.024 176.584 177.584 0.040 0.000 1.229 398 A CA -0.554 51.511 52.037 0.047 0.000 0.851 398 A CB 0.528 19.546 19.000 0.030 0.000 1.165 398 A HN 0.586 nan 8.150 nan 0.000 0.513 399 L N 1.758 123.019 121.223 0.063 0.000 2.292 399 L HA 0.745 5.085 4.340 -0.001 0.000 0.284 399 L C 0.685 177.558 176.870 0.006 0.000 1.065 399 L CA 0.647 55.520 54.840 0.055 0.000 0.806 399 L CB 1.452 43.593 42.059 0.137 0.000 1.175 399 L HN 0.805 nan 8.230 nan 0.000 0.431 400 T N -0.181 114.366 114.554 -0.011 0.000 2.886 400 T HA 0.381 4.731 4.350 -0.001 0.000 0.330 400 T C 0.548 175.223 174.700 -0.041 0.000 1.488 400 T CA 0.231 62.309 62.100 -0.037 0.000 1.054 400 T CB 1.269 70.107 68.868 -0.049 0.000 1.348 400 T HN 0.747 nan 8.240 nan 0.000 0.489 401 T N 0.072 114.598 114.554 -0.047 0.000 3.015 401 T HA 0.256 4.605 4.350 -0.001 0.000 0.250 401 T C 0.705 175.371 174.700 -0.057 0.000 1.057 401 T CA -0.080 61.993 62.100 -0.045 0.000 1.066 401 T CB -0.071 68.774 68.868 -0.039 0.000 0.959 401 T HN 0.438 nan 8.240 nan 0.000 0.488 402 N N 2.027 120.688 118.700 -0.065 0.000 2.442 402 N HA 0.111 4.851 4.740 -0.001 0.000 0.265 402 N C 0.634 176.075 175.510 -0.116 0.000 1.138 402 N CA 0.100 53.105 53.050 -0.075 0.000 0.956 402 N CB 1.330 39.778 38.487 -0.064 0.000 1.067 402 N HN 0.395 nan 8.380 nan 0.000 0.474 403 E N 2.350 122.472 120.200 -0.130 0.000 2.112 403 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 403 E C 0.958 177.379 176.600 -0.299 0.000 0.979 403 E CA 0.755 57.015 56.400 -0.234 0.000 0.814 403 E CB 0.221 29.819 29.700 -0.169 0.000 0.762 403 E HN 0.464 nan 8.360 nan 0.000 0.460 404 K N 0.585 120.905 120.400 -0.133 0.000 2.057 404 K HA -0.098 4.221 4.320 -0.001 0.000 0.207 404 K C 2.028 178.547 176.600 -0.135 0.000 1.049 404 K CA 1.635 57.875 56.287 -0.079 0.000 0.931 404 K CB -0.538 31.923 32.500 -0.064 0.000 0.714 404 K HN -0.028 nan 8.250 nan 0.000 0.440 405 T N 0.272 114.747 114.554 -0.131 0.000 2.746 405 T HA -0.130 4.220 4.350 -0.001 0.000 0.267 405 T C 1.760 176.391 174.700 -0.115 0.000 1.039 405 T CA 1.408 63.440 62.100 -0.115 0.000 1.142 405 T CB -0.448 68.375 68.868 -0.075 0.000 0.866 405 T HN 0.372 nan 8.240 nan 0.000 0.444 406 A N 0.768 123.486 122.820 -0.170 0.000 1.972 406 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 406 A C 1.871 179.379 177.584 -0.126 0.000 1.169 406 A CA 1.687 53.625 52.037 -0.165 0.000 0.635 406 A CB -0.749 18.108 19.000 -0.237 0.000 0.810 406 A HN 0.694 nan 8.150 nan 0.000 0.446 407 H N -0.957 118.092 119.070 -0.035 0.000 2.343 407 H HA -0.060 4.496 4.556 -0.001 0.000 0.303 407 H C 2.406 177.737 175.328 0.005 0.000 1.068 407 H CA 1.411 57.449 56.048 -0.017 0.000 1.359 407 H CB -0.036 29.708 29.762 -0.029 0.000 1.402 407 H HN 0.580 nan 8.280 nan 0.000 0.515 408 Q N 0.753 120.578 119.800 0.042 0.000 2.061 408 Q HA -0.144 4.195 4.340 -0.001 0.000 0.204 408 Q C 2.160 178.247 176.000 0.145 0.000 0.984 408 Q CA 1.345 57.157 55.803 0.014 0.000 0.846 408 Q CB -0.144 28.343 28.738 -0.419 0.000 0.902 408 Q HN 0.466 nan 8.270 nan 0.000 0.421 409 L N 0.516 121.770 121.223 0.052 0.000 2.447 409 L HA -0.143 4.196 4.340 -0.001 0.000 0.225 409 L C 2.071 178.981 176.870 0.066 0.000 1.148 409 L CA 0.222 55.095 54.840 0.055 0.000 0.808 409 L CB -0.469 41.603 42.059 0.022 0.000 0.928 409 L HN 0.104 nan 8.230 nan 0.000 0.448 410 V N -0.346 119.622 119.914 0.090 0.000 2.594 410 V HA -0.262 3.857 4.120 -0.001 0.000 0.253 410 V C 2.339 178.467 176.094 0.057 0.000 1.069 410 V CA 1.265 63.611 62.300 0.077 0.000 1.082 410 V CB -0.364 31.519 31.823 0.101 0.000 0.680 410 V HN 0.334 nan 8.190 nan 0.000 0.469 411 L N 0.160 121.424 121.223 0.069 0.000 2.056 411 L HA 0.017 4.357 4.340 -0.001 0.000 0.207 411 L C 1.548 178.405 176.870 -0.021 0.000 1.078 411 L CA 1.224 56.052 54.840 -0.021 0.000 0.749 411 L CB -0.506 41.457 42.059 -0.160 0.000 0.901 411 L HN 0.301 nan 8.230 nan 0.000 0.433 412 S N 0.518 116.224 115.700 0.009 0.000 2.562 412 S HA 0.040 4.510 4.470 -0.001 0.000 0.281 412 S C 0.180 174.772 174.600 -0.014 0.000 1.333 412 S CA -0.290 57.906 58.200 -0.006 0.000 1.052 412 S CB 0.422 63.626 63.200 0.006 0.000 0.884 412 S HN 0.201 nan 8.310 nan 0.000 0.506 413 K N 0.948 121.326 120.400 -0.036 0.000 2.436 413 K HA 0.264 4.584 4.320 -0.001 0.000 0.275 413 K C 1.422 178.010 176.600 -0.020 0.000 0.999 413 K CA 0.792 57.063 56.287 -0.027 0.000 0.980 413 K CB -0.125 32.353 32.500 -0.037 0.000 0.919 413 K HN 0.841 nan 8.250 nan 0.000 0.484 414 G N 1.794 110.598 108.800 0.007 0.000 2.249 414 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.269 414 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.269 414 G C 0.210 175.120 174.900 0.017 0.000 0.979 414 G CA 0.654 45.764 45.100 0.017 0.000 0.644 414 G HN 0.487 nan 8.290 nan 0.000 0.546 415 V N 0.095 120.015 119.914 0.010 0.000 2.811 415 V HA 0.478 4.598 4.120 -0.001 0.000 0.302 415 V C 0.677 176.784 176.094 0.022 0.000 1.063 415 V CA -0.024 62.287 62.300 0.017 0.000 1.088 415 V CB 1.832 33.664 31.823 0.016 0.000 0.982 415 V HN 0.321 nan 8.190 nan 0.000 0.485 416 V N 5.989 125.918 119.914 0.024 0.000 2.501 416 V HA 0.307 4.427 4.120 -0.001 0.000 0.277 416 V C -2.270 173.837 176.094 0.021 0.000 1.004 416 V CA -1.142 61.172 62.300 0.023 0.000 0.862 416 V CB 1.940 33.776 31.823 0.020 0.000 1.035 416 V HN 0.786 nan 8.190 nan 0.000 0.448 417 P HA 0.334 nan 4.420 nan 0.000 0.274 417 P C -1.062 176.240 177.300 0.005 0.000 1.237 417 P CA -0.315 62.791 63.100 0.010 0.000 0.793 417 P CB 1.251 32.952 31.700 0.001 0.000 0.977 418 Q N 0.772 120.570 119.800 -0.003 0.000 2.296 418 Q HA 0.291 4.631 4.340 -0.001 0.000 0.254 418 Q C -0.983 175.008 176.000 -0.017 0.000 0.936 418 Q CA -0.939 54.861 55.803 -0.006 0.000 0.834 418 Q CB 2.126 30.866 28.738 0.003 0.000 1.340 418 Q HN 0.325 nan 8.270 nan 0.000 0.428 419 L N 3.524 124.727 121.223 -0.033 0.000 2.439 419 L HA 0.465 4.804 4.340 -0.001 0.000 0.269 419 L C -0.642 176.214 176.870 -0.023 0.000 1.179 419 L CA 0.202 55.016 54.840 -0.044 0.000 0.828 419 L CB 1.180 43.202 42.059 -0.061 0.000 1.106 419 L HN 0.464 nan 8.230 nan 0.000 0.467 420 V N 0.716 120.618 119.914 -0.020 0.000 3.087 420 V HA 0.462 4.582 4.120 -0.001 0.000 0.306 420 V C 0.662 176.748 176.094 -0.014 0.000 1.187 420 V CA -0.676 61.618 62.300 -0.009 0.000 0.999 420 V CB 1.486 33.312 31.823 0.006 0.000 1.049 420 V HN 0.571 nan 8.190 nan 0.000 0.431 421 K N 0.834 121.228 120.400 -0.010 0.000 2.009 421 K HA 0.033 4.353 4.320 -0.001 0.000 0.210 421 K C 0.610 177.202 176.600 -0.013 0.000 1.049 421 K CA 2.228 58.508 56.287 -0.012 0.000 0.929 421 K CB -0.358 32.137 32.500 -0.008 0.000 0.714 421 K HN 1.098 nan 8.250 nan 0.000 0.440 422 E N -2.544 117.651 120.200 -0.008 0.000 2.411 422 E HA 0.472 4.821 4.350 -0.001 0.000 0.279 422 E C -2.047 174.552 176.600 -0.001 0.000 1.132 422 E CA -0.507 55.887 56.400 -0.011 0.000 0.876 422 E CB 0.958 30.651 29.700 -0.013 0.000 1.335 422 E HN 0.116 nan 8.360 nan 0.000 0.436 423 I N 2.502 123.066 120.570 -0.010 0.000 2.560 423 I HA 0.221 4.391 4.170 -0.001 0.000 0.283 423 I C 1.008 177.111 176.117 -0.024 0.000 1.115 423 I CA -0.321 60.977 61.300 -0.002 0.000 1.066 423 I CB 1.933 39.927 38.000 -0.009 0.000 1.221 423 I HN 0.761 nan 8.210 nan 0.000 0.450 424 T N 1.021 115.568 114.554 -0.013 0.000 2.857 424 T HA 0.048 4.397 4.350 -0.001 0.000 0.266 424 T C 0.708 175.392 174.700 -0.025 0.000 1.048 424 T CA 1.119 63.209 62.100 -0.017 0.000 1.139 424 T CB 0.090 68.953 68.868 -0.007 0.000 0.874 424 T HN 0.666 nan 8.240 nan 0.000 0.455 425 S N -1.673 114.011 115.700 -0.027 0.000 2.587 425 S HA 0.388 4.858 4.470 -0.001 0.000 0.269 425 S C 0.615 175.178 174.600 -0.062 0.000 1.154 425 S CA -0.190 57.986 58.200 -0.039 0.000 0.824 425 S CB 1.022 64.213 63.200 -0.015 0.000 1.118 425 S HN 0.011 nan 8.310 nan 0.000 0.462 426 T N 1.364 115.860 114.554 -0.096 0.000 2.721 426 T HA -0.132 4.217 4.350 -0.001 0.000 0.268 426 T C 0.956 175.486 174.700 -0.283 0.000 1.038 426 T CA 2.088 64.067 62.100 -0.202 0.000 1.145 426 T CB -0.622 68.179 68.868 -0.112 0.000 0.858 426 T HN 0.659 nan 8.240 nan 0.000 0.459 427 D N 0.358 120.727 120.400 -0.051 0.000 2.194 427 D HA -0.058 4.582 4.640 -0.001 0.000 0.204 427 D C 1.995 178.313 176.300 0.029 0.000 0.964 427 D CA 0.796 54.841 54.000 0.074 0.000 0.846 427 D CB -0.274 40.600 40.800 0.123 0.000 0.962 427 D HN 0.355 nan 8.370 nan 0.000 0.490 428 D N 0.170 120.574 120.400 0.007 0.000 2.117 428 D HA -0.182 4.458 4.640 -0.001 0.000 0.198 428 D C 1.925 178.236 176.300 0.017 0.000 0.982 428 D CA 0.506 54.515 54.000 0.016 0.000 0.828 428 D CB -0.257 40.552 40.800 0.015 0.000 0.967 428 D HN 0.049 nan 8.370 nan 0.000 0.464 429 F N 0.636 120.469 119.950 -0.195 0.000 2.043 429 F HA -0.269 4.258 4.527 -0.001 0.000 0.297 429 F C 1.819 177.515 175.800 -0.173 0.000 1.121 429 F CA 1.594 59.460 58.000 -0.223 0.000 1.199 429 F CB -1.128 37.648 39.000 -0.374 0.000 0.968 429 F HN -0.027 nan 8.300 nan 0.000 0.478 430 Y N 0.983 121.091 120.300 -0.320 0.000 2.151 430 Y HA -0.257 4.293 4.550 -0.001 0.000 0.284 430 Y C 2.855 178.490 175.900 -0.442 0.000 1.166 430 Y CA 1.838 59.580 58.100 -0.598 0.000 1.163 430 Y CB -1.329 36.892 38.460 -0.399 0.000 0.974 430 Y HN 0.136 nan 8.280 nan 0.000 0.511 431 R N 0.908 121.366 120.500 -0.070 0.000 2.075 431 R HA -0.152 4.188 4.340 -0.001 0.000 0.232 431 R C 2.181 178.422 176.300 -0.098 0.000 1.126 431 R CA 1.508 57.572 56.100 -0.061 0.000 0.963 431 R CB -1.034 29.264 30.300 -0.004 0.000 0.858 431 R HN 0.431 nan 8.270 nan 0.000 0.435 432 L N 1.091 122.253 121.223 -0.102 0.000 1.994 432 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 432 L C 2.389 179.180 176.870 -0.132 0.000 1.071 432 L CA 2.522 57.313 54.840 -0.080 0.000 0.745 432 L CB -1.394 40.646 42.059 -0.032 0.000 0.892 432 L HN 0.304 nan 8.230 nan 0.000 0.431 433 G N -0.337 108.305 108.800 -0.262 0.000 2.529 433 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.219 433 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.219 433 G C 1.653 176.425 174.900 -0.213 0.000 1.177 433 G CA 1.253 46.164 45.100 -0.315 0.000 0.773 433 G HN 0.500 nan 8.290 nan 0.000 0.573 434 K N 0.400 120.667 120.400 -0.221 0.000 2.103 434 K HA -0.084 4.236 4.320 -0.001 0.000 0.207 434 K C 2.441 178.985 176.600 -0.093 0.000 1.048 434 K CA 1.387 57.588 56.287 -0.144 0.000 0.930 434 K CB -0.154 32.269 32.500 -0.130 0.000 0.716 434 K HN 0.461 nan 8.250 nan 0.000 0.444 435 E N 0.881 121.032 120.200 -0.083 0.000 2.072 435 E HA -0.126 4.224 4.350 -0.001 0.000 0.191 435 E C 2.141 178.708 176.600 -0.054 0.000 0.985 435 E CA 0.811 57.178 56.400 -0.055 0.000 0.801 435 E CB -0.071 29.604 29.700 -0.042 0.000 0.750 435 E HN 0.228 nan 8.360 nan 0.000 0.452 436 L N 0.764 121.950 121.223 -0.062 0.000 1.994 436 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 436 L C 2.707 179.542 176.870 -0.058 0.000 1.071 436 L CA 1.089 55.899 54.840 -0.050 0.000 0.745 436 L CB -0.646 41.390 42.059 -0.038 0.000 0.892 436 L HN 0.133 nan 8.230 nan 0.000 0.431 437 A N 0.149 122.925 122.820 -0.073 0.000 1.917 437 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 437 A C 2.275 179.799 177.584 -0.100 0.000 1.182 437 A CA 1.708 53.698 52.037 -0.078 0.000 0.633 437 A CB -0.833 18.120 19.000 -0.079 0.000 0.819 437 A HN 0.394 nan 8.150 nan 0.000 0.448 438 L N -1.109 120.060 121.223 -0.089 0.000 2.141 438 L HA -0.221 4.118 4.340 -0.001 0.000 0.209 438 L C 2.798 179.615 176.870 -0.088 0.000 1.094 438 L CA 1.359 56.141 54.840 -0.097 0.000 0.763 438 L CB -0.415 41.608 42.059 -0.059 0.000 0.908 438 L HN 0.529 nan 8.230 nan 0.000 0.437 439 Q N -1.008 118.755 119.800 -0.062 0.000 2.245 439 Q HA -0.097 4.243 4.340 -0.001 0.000 0.201 439 Q C 2.256 178.229 176.000 -0.046 0.000 0.955 439 Q CA 1.210 56.988 55.803 -0.043 0.000 0.870 439 Q CB 0.062 28.784 28.738 -0.027 0.000 0.945 439 Q HN 0.398 nan 8.270 nan 0.000 0.461 440 S N -0.215 115.449 115.700 -0.060 0.000 2.442 440 S HA -0.081 4.389 4.470 -0.001 0.000 0.236 440 S C 1.571 176.134 174.600 -0.061 0.000 1.007 440 S CA 0.885 59.054 58.200 -0.051 0.000 0.965 440 S CB -0.244 62.924 63.200 -0.053 0.000 0.773 440 S HN 0.706 nan 8.310 nan 0.000 0.504 441 G N 0.868 109.598 108.800 -0.116 0.000 2.184 441 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.264 441 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.264 441 G C 0.666 175.459 174.900 -0.178 0.000 0.975 441 G CA 0.569 45.593 45.100 -0.126 0.000 0.642 441 G HN 0.523 nan 8.290 nan 0.000 0.536 442 L N 0.047 121.178 121.223 -0.153 0.000 2.552 442 L HA 0.516 4.856 4.340 -0.001 0.000 0.227 442 L C 1.442 178.220 176.870 -0.153 0.000 1.146 442 L CA 0.932 55.716 54.840 -0.093 0.000 0.858 442 L CB -0.254 41.774 42.059 -0.052 0.000 0.969 442 L HN 0.681 nan 8.230 nan 0.000 0.451 443 A N -1.750 120.842 122.820 -0.380 0.000 2.602 443 A HA 0.744 5.063 4.320 -0.001 0.000 0.290 443 A C -1.186 175.970 177.584 -0.714 0.000 1.114 443 A CA -0.589 51.251 52.037 -0.328 0.000 0.683 443 A CB 1.366 20.287 19.000 -0.132 0.000 1.281 443 A HN 0.107 nan 8.150 nan 0.000 0.416 444 H N 0.299 119.371 119.070 0.004 0.000 2.990 444 H HA 0.320 4.876 4.556 -0.001 0.000 0.343 444 H C -0.801 174.529 175.328 0.002 0.000 1.270 444 H CA -0.980 55.069 56.048 0.002 0.000 1.118 444 H CB 0.948 30.712 29.762 0.003 0.000 1.861 444 H HN 0.576 nan 8.280 nan 0.000 0.544 445 K N 0.802 121.287 120.400 0.142 0.000 2.543 445 K HA -0.046 4.274 4.320 -0.001 0.000 0.279 445 K C 1.233 177.872 176.600 0.065 0.000 1.001 445 K CA 1.289 57.620 56.287 0.074 0.000 1.088 445 K CB -0.075 32.460 32.500 0.059 0.000 0.863 445 K HN 1.021 nan 8.250 nan 0.000 0.488 446 G N 2.682 111.507 108.800 0.041 0.000 2.267 446 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.257 446 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.257 446 G C 0.001 174.923 174.900 0.036 0.000 0.998 446 G CA 0.282 45.401 45.100 0.032 0.000 0.620 446 G HN 0.632 nan 8.290 nan 0.000 0.529 447 D N 0.540 120.971 120.400 0.050 0.000 2.399 447 D HA 0.433 5.073 4.640 -0.001 0.000 0.241 447 D C 0.778 177.096 176.300 0.029 0.000 1.133 447 D CA 0.087 54.114 54.000 0.046 0.000 0.890 447 D CB 1.685 42.520 40.800 0.058 0.000 1.201 447 D HN 0.176 nan 8.370 nan 0.000 0.432 448 V N 2.006 121.936 119.914 0.026 0.000 2.716 448 V HA 0.456 4.575 4.120 -0.001 0.000 0.304 448 V C 0.341 176.450 176.094 0.026 0.000 1.053 448 V CA -0.503 61.809 62.300 0.021 0.000 0.984 448 V CB 1.982 33.813 31.823 0.014 0.000 1.021 448 V HN 0.254 nan 8.190 nan 0.000 0.467 449 V N 3.681 123.616 119.914 0.035 0.000 2.777 449 V HA 0.346 4.466 4.120 -0.001 0.000 0.306 449 V C -0.581 175.546 176.094 0.055 0.000 1.112 449 V CA -0.627 61.693 62.300 0.033 0.000 0.917 449 V CB 2.340 34.169 31.823 0.011 0.000 1.018 449 V HN 0.572 nan 8.190 nan 0.000 0.426 450 V N 5.744 125.692 119.914 0.057 0.000 2.432 450 V HA 0.438 4.557 4.120 -0.001 0.000 0.275 450 V C 0.185 176.349 176.094 0.116 0.000 1.043 450 V CA -0.165 62.185 62.300 0.083 0.000 0.925 450 V CB 1.283 33.147 31.823 0.068 0.000 0.985 450 V HN 0.782 nan 8.190 nan 0.000 0.466 451 M N 5.468 125.174 119.600 0.177 0.000 2.149 451 M HA 0.534 5.014 4.480 -0.001 0.000 0.342 451 M C -0.941 175.595 176.300 0.393 0.000 1.068 451 M CA -0.534 54.947 55.300 0.302 0.000 0.991 451 M CB 1.734 34.565 32.600 0.385 0.000 1.596 451 M HN 0.341 nan 8.290 nan 0.000 0.439 452 V N 2.462 122.581 119.914 0.341 0.000 2.667 452 V HA 0.832 4.952 4.120 -0.001 0.000 0.308 452 V C 0.045 176.207 176.094 0.112 0.000 1.048 452 V CA -0.279 62.149 62.300 0.213 0.000 0.928 452 V CB 1.871 33.770 31.823 0.126 0.000 1.004 452 V HN 1.107 nan 8.190 nan 0.000 0.444 453 S N 2.224 117.936 115.700 0.021 0.000 2.660 453 S HA 0.683 5.152 4.470 -0.001 0.000 0.264 453 S C -0.472 174.055 174.600 -0.120 0.000 1.131 453 S CA -0.240 57.856 58.200 -0.174 0.000 0.846 453 S CB 1.100 63.989 63.200 -0.518 0.000 1.151 453 S HN 1.288 nan 8.310 nan 0.000 0.486 454 G N -0.374 108.318 108.800 -0.180 0.000 2.389 454 G HA2 0.831 4.790 3.960 -0.001 0.000 0.328 454 G HA3 0.831 4.790 3.960 -0.001 0.000 0.328 454 G C -0.549 174.286 174.900 -0.108 0.000 1.133 454 G CA -0.528 44.505 45.100 -0.111 0.000 0.891 454 G HN 1.631 nan 8.290 nan 0.000 0.485 455 A N 1.342 124.127 122.820 -0.058 0.000 2.485 455 A HA 0.569 4.889 4.320 -0.001 0.000 0.285 455 A C 0.233 177.802 177.584 -0.025 0.000 1.045 455 A CA -0.589 51.422 52.037 -0.042 0.000 0.792 455 A CB 0.273 19.267 19.000 -0.010 0.000 1.307 455 A HN 1.550 nan 8.150 nan 0.000 0.406 456 L N 0.693 121.899 121.223 -0.028 0.000 3.737 456 L HA -0.224 4.115 4.340 -0.001 0.000 0.418 456 L C 0.051 176.908 176.870 -0.020 0.000 1.216 456 L CA 0.772 55.599 54.840 -0.021 0.000 0.915 456 L CB -2.325 39.728 42.059 -0.010 0.000 1.834 456 L HN 1.250 nan 8.230 nan 0.000 0.943 457 V N -3.883 116.014 119.914 -0.028 0.000 2.932 457 V HA 0.823 4.942 4.120 -0.001 0.000 0.307 457 V C -1.960 174.114 176.094 -0.032 0.000 1.147 457 V CA -1.661 60.623 62.300 -0.025 0.000 0.951 457 V CB 1.442 33.252 31.823 -0.021 0.000 1.031 457 V HN 0.045 nan 8.190 nan 0.000 0.426 458 P HA 0.239 nan 4.420 nan 0.000 0.272 458 P C 0.313 177.592 177.300 -0.035 0.000 1.243 458 P CA 0.055 63.137 63.100 -0.031 0.000 0.803 458 P CB 0.196 31.881 31.700 -0.025 0.000 0.974 459 S N -1.223 114.456 115.700 -0.036 0.000 2.589 459 S HA 0.395 4.864 4.470 -0.001 0.000 0.265 459 S C 1.300 175.882 174.600 -0.030 0.000 1.342 459 S CA 0.753 58.930 58.200 -0.038 0.000 1.005 459 S CB -0.186 62.992 63.200 -0.036 0.000 0.909 459 S HN 0.977 nan 8.310 nan 0.000 0.555 460 G N 0.861 109.644 108.800 -0.027 0.000 2.136 460 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.242 460 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.242 460 G C 0.001 174.892 174.900 -0.016 0.000 0.989 460 G CA 0.184 45.272 45.100 -0.019 0.000 0.682 460 G HN 0.798 nan 8.290 nan 0.000 0.522 461 T N 0.743 115.285 114.554 -0.020 0.000 3.143 461 T HA 0.536 4.885 4.350 -0.001 0.000 0.312 461 T C -0.237 174.452 174.700 -0.019 0.000 0.986 461 T CA -0.028 62.063 62.100 -0.014 0.000 1.024 461 T CB 1.827 70.686 68.868 -0.014 0.000 1.030 461 T HN 0.205 nan 8.240 nan 0.000 0.448 462 T N 3.817 118.367 114.554 -0.006 0.000 2.837 462 T HA 0.490 4.840 4.350 -0.001 0.000 0.285 462 T C 0.906 175.610 174.700 0.007 0.000 0.984 462 T CA -0.645 61.453 62.100 -0.003 0.000 1.049 462 T CB 0.564 69.440 68.868 0.014 0.000 0.947 462 T HN 0.773 nan 8.240 nan 0.000 0.472 463 N N 0.296 119.001 118.700 0.009 0.000 1.872 463 N HA 0.012 4.751 4.740 -0.001 0.000 0.223 463 N C -0.706 174.826 175.510 0.037 0.000 1.424 463 N CA -0.315 52.747 53.050 0.020 0.000 0.710 463 N CB 0.660 39.154 38.487 0.010 0.000 1.074 463 N HN 0.418 nan 8.380 nan 0.000 0.544 464 T N 0.767 115.353 114.554 0.054 0.000 2.893 464 T HA 0.870 5.220 4.350 -0.001 0.000 0.293 464 T C -1.186 173.601 174.700 0.144 0.000 1.027 464 T CA -0.382 61.778 62.100 0.100 0.000 0.988 464 T CB 2.034 70.971 68.868 0.115 0.000 1.043 464 T HN 0.418 nan 8.240 nan 0.000 0.461 465 A N 1.640 124.552 122.820 0.154 0.000 2.414 465 A HA 0.895 5.215 4.320 -0.001 0.000 0.306 465 A C -0.594 177.077 177.584 0.146 0.000 1.054 465 A CA -0.812 51.320 52.037 0.158 0.000 0.724 465 A CB 1.860 20.913 19.000 0.089 0.000 1.267 465 A HN 0.727 nan 8.150 nan 0.000 0.418 466 S N 1.133 116.925 115.700 0.152 0.000 2.603 466 S HA 0.555 5.024 4.470 -0.001 0.000 0.274 466 S C -1.010 173.612 174.600 0.036 0.000 1.168 466 S CA -0.406 57.803 58.200 0.015 0.000 0.963 466 S CB 1.073 64.186 63.200 -0.145 0.000 1.078 466 S HN 1.071 nan 8.310 nan 0.000 0.477 467 V N 6.023 125.872 119.914 -0.108 0.000 2.686 467 V HA 0.606 4.725 4.120 -0.001 0.000 0.295 467 V C -0.181 175.749 176.094 -0.274 0.000 1.057 467 V CA -0.213 62.037 62.300 -0.084 0.000 1.012 467 V CB 1.131 32.902 31.823 -0.086 0.000 1.006 467 V HN 0.898 nan 8.190 nan 0.000 0.477 468 H N 1.406 120.413 119.070 -0.106 0.000 3.086 468 H HA 0.369 4.925 4.556 -0.001 0.000 0.353 468 H C -1.422 173.867 175.328 -0.065 0.000 1.134 468 H CA -0.569 55.416 56.048 -0.105 0.000 1.248 468 H CB 2.243 31.923 29.762 -0.136 0.000 1.878 468 H HN 0.411 nan 8.280 nan 0.000 0.527 469 V N 4.541 124.482 119.914 0.045 0.000 2.509 469 V HA 0.199 4.318 4.120 -0.001 0.000 0.284 469 V C 0.864 176.979 176.094 0.035 0.000 1.047 469 V CA -0.527 61.790 62.300 0.028 0.000 0.952 469 V CB 1.217 33.044 31.823 0.006 0.000 0.988 469 V HN 0.438 nan 8.190 nan 0.000 0.469 470 L N 0.000 121.238 121.223 0.025 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 470 L CA 0.000 54.848 54.840 0.013 0.000 0.813 470 L CB 0.000 42.060 42.059 0.002 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502