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 1e0u_1_B 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 LKVVITATMM LDSMIKNPRP TRAEAGDVAN DATA SEQUENCE AILDGTDAVM LSGESAKGKY 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 0.000 176.322 176.300 0.036 0.000 1.140 1 M CA 0.000 55.320 55.300 0.034 0.000 0.988 1 M CB 0.000 32.621 32.600 0.034 0.000 1.302 2 K N 3.352 123.772 120.400 0.035 0.000 2.286 2 K HA 0.319 4.639 4.320 -0.000 0.000 0.256 2 K C -0.474 176.150 176.600 0.040 0.000 0.999 2 K CA -0.470 55.840 56.287 0.038 0.000 0.908 2 K CB 1.098 33.618 32.500 0.035 0.000 0.981 2 K HN 0.876 nan 8.250 nan 0.000 0.500 3 K N 0.198 120.625 120.400 0.046 0.000 2.403 3 K HA 0.059 4.379 4.320 -0.000 0.000 0.199 3 K C -0.071 176.554 176.600 0.042 0.000 1.199 3 K CA 0.115 56.429 56.287 0.045 0.000 0.924 3 K CB 0.675 33.209 32.500 0.057 0.000 1.137 3 K HN 0.608 nan 8.250 nan 0.000 0.510 4 T N 3.431 118.015 114.554 0.049 0.000 2.902 4 T HA 0.040 4.390 4.350 -0.000 0.000 0.301 4 T C 0.053 174.773 174.700 0.035 0.000 1.012 4 T CA 0.385 62.512 62.100 0.046 0.000 1.151 4 T CB 0.508 69.406 68.868 0.050 0.000 0.946 4 T HN -0.085 nan 8.240 nan 0.000 0.542 5 K N 2.995 123.412 120.400 0.028 0.000 2.118 5 K HA 0.475 4.795 4.320 -0.000 0.000 0.264 5 K C -0.070 176.542 176.600 0.021 0.000 1.000 5 K CA -0.481 55.822 56.287 0.026 0.000 0.929 5 K CB 1.260 33.775 32.500 0.025 0.000 1.021 5 K HN 0.513 nan 8.250 nan 0.000 0.463 6 I N 1.776 122.361 120.570 0.024 0.000 2.389 6 I HA 0.152 4.322 4.170 -0.000 0.000 0.288 6 I C -0.538 175.593 176.117 0.024 0.000 0.999 6 I CA -1.093 60.221 61.300 0.023 0.000 1.129 6 I CB 1.835 39.851 38.000 0.027 0.000 1.288 6 I HN 0.045 nan 8.210 nan 0.000 0.444 7 V N 5.726 125.649 119.914 0.016 0.000 2.364 7 V HA 0.254 4.374 4.120 -0.000 0.000 0.272 7 V C -0.206 175.906 176.094 0.028 0.000 1.036 7 V CA -0.431 61.880 62.300 0.019 0.000 0.880 7 V CB 1.050 32.874 31.823 0.001 0.000 0.991 7 V HN 0.772 nan 8.190 nan 0.000 0.460 8 C N 3.921 123.244 119.300 0.038 0.000 2.322 8 C HA 0.527 4.987 4.460 -0.000 0.000 0.324 8 C C 0.890 175.910 174.990 0.051 0.000 1.284 8 C CA -0.562 58.480 59.018 0.042 0.000 1.606 8 C CB 0.920 28.685 27.740 0.041 0.000 2.251 8 C HN 0.890 nan 8.230 nan 0.000 0.502 9 T N 5.155 119.740 114.554 0.051 0.000 2.832 9 T HA 0.320 4.670 4.350 -0.000 0.000 0.296 9 T C 0.161 174.895 174.700 0.056 0.000 0.968 9 T CA -0.125 62.013 62.100 0.062 0.000 1.107 9 T CB 0.218 69.125 68.868 0.064 0.000 0.916 9 T HN 0.354 nan 8.240 nan 0.000 0.517 10 I N 3.232 123.843 120.570 0.067 0.000 2.353 10 I HA 0.501 4.671 4.170 -0.000 0.000 0.293 10 I C 0.950 177.093 176.117 0.043 0.000 0.992 10 I CA -0.270 61.062 61.300 0.053 0.000 1.268 10 I CB 0.859 38.897 38.000 0.064 0.000 1.387 10 I HN 0.759 nan 8.210 nan 0.000 0.478 11 G N 6.540 115.349 108.800 0.015 0.000 2.932 11 G HA2 0.583 4.543 3.960 -0.000 0.000 0.283 11 G HA3 0.583 4.543 3.960 -0.000 0.000 0.283 11 G C -2.367 172.515 174.900 -0.030 0.000 1.336 11 G CA -0.992 44.099 45.100 -0.015 0.000 1.056 11 G HN 0.335 nan 8.290 nan 0.000 0.522 12 P HA 0.037 nan 4.420 nan 0.000 0.221 12 P C 1.499 178.772 177.300 -0.045 0.000 1.150 12 P CA 0.985 64.051 63.100 -0.058 0.000 0.800 12 P CB 0.330 31.983 31.700 -0.078 0.000 0.787 13 K N -0.376 119.997 120.400 -0.044 0.000 2.296 13 K HA -0.019 4.301 4.320 -0.000 0.000 0.200 13 K C 1.206 177.789 176.600 -0.027 0.000 1.048 13 K CA 1.428 57.690 56.287 -0.041 0.000 0.966 13 K CB -0.151 32.318 32.500 -0.052 0.000 0.754 13 K HN 0.159 nan 8.250 nan 0.000 0.466 14 T N -2.288 112.256 114.554 -0.017 0.000 3.044 14 T HA 0.052 4.402 4.350 -0.000 0.000 0.260 14 T C 1.106 175.809 174.700 0.004 0.000 1.019 14 T CA -0.114 61.984 62.100 -0.003 0.000 0.921 14 T CB 0.241 69.113 68.868 0.006 0.000 1.053 14 T HN 0.379 nan 8.240 nan 0.000 0.533 15 E N 2.059 122.258 120.200 -0.002 0.000 2.435 15 E HA 0.032 4.382 4.350 -0.000 0.000 0.195 15 E C 1.122 177.726 176.600 0.007 0.000 1.029 15 E CA 0.122 56.526 56.400 0.007 0.000 0.865 15 E CB -0.096 29.604 29.700 0.000 0.000 0.833 15 E HN 0.512 nan 8.360 nan 0.000 0.510 16 S N 0.422 116.123 115.700 0.002 0.000 2.584 16 S HA -0.009 4.461 4.470 -0.000 0.000 0.270 16 S C 0.889 175.495 174.600 0.010 0.000 1.346 16 S CA -0.281 57.922 58.200 0.004 0.000 1.018 16 S CB 1.345 64.544 63.200 -0.001 0.000 0.899 16 S HN 0.281 nan 8.310 nan 0.000 0.542 17 E N 1.304 121.510 120.200 0.011 0.000 2.077 17 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 17 E C 1.884 178.491 176.600 0.013 0.000 0.989 17 E CA 1.553 57.961 56.400 0.014 0.000 0.800 17 E CB -0.231 29.477 29.700 0.013 0.000 0.746 17 E HN 0.789 nan 8.360 nan 0.000 0.452 18 E N 0.654 120.860 120.200 0.010 0.000 2.070 18 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 18 E C 1.872 178.479 176.600 0.011 0.000 1.004 18 E CA 1.372 57.778 56.400 0.009 0.000 0.805 18 E CB -0.140 29.563 29.700 0.006 0.000 0.744 18 E HN 0.098 nan 8.360 nan 0.000 0.451 19 M N 0.033 119.639 119.600 0.009 0.000 2.059 19 M HA -0.087 4.393 4.480 -0.000 0.000 0.259 19 M C 1.912 178.222 176.300 0.016 0.000 1.072 19 M CA 1.470 56.777 55.300 0.011 0.000 1.117 19 M CB -0.418 32.185 32.600 0.006 0.000 1.320 19 M HN 0.108 nan 8.290 nan 0.000 0.408 20 L N -0.665 120.569 121.223 0.018 0.000 2.051 20 L HA -0.292 4.048 4.340 -0.000 0.000 0.214 20 L C 2.386 179.269 176.870 0.022 0.000 1.076 20 L CA 1.542 56.395 54.840 0.022 0.000 0.758 20 L CB -1.115 40.958 42.059 0.023 0.000 0.890 20 L HN 0.442 nan 8.230 nan 0.000 0.433 21 A N -0.448 122.384 122.820 0.019 0.000 1.929 21 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 21 A C 2.285 179.881 177.584 0.020 0.000 1.176 21 A CA 1.410 53.459 52.037 0.019 0.000 0.628 21 A CB -0.252 18.758 19.000 0.017 0.000 0.816 21 A HN 0.298 nan 8.150 nan 0.000 0.444 22 K N -0.776 119.636 120.400 0.019 0.000 2.217 22 K HA 0.042 4.362 4.320 -0.000 0.000 0.202 22 K C 1.958 178.573 176.600 0.024 0.000 1.051 22 K CA 1.180 57.479 56.287 0.021 0.000 0.952 22 K CB -0.149 32.363 32.500 0.020 0.000 0.736 22 K HN 0.493 nan 8.250 nan 0.000 0.453 23 M N 0.208 119.823 119.600 0.025 0.000 2.193 23 M HA -0.065 4.415 4.480 -0.000 0.000 0.265 23 M C 2.036 178.354 176.300 0.029 0.000 1.071 23 M CA 1.292 56.608 55.300 0.028 0.000 1.140 23 M CB -0.405 32.213 32.600 0.029 0.000 1.369 23 M HN 0.107 nan 8.290 nan 0.000 0.423 24 L N 0.234 121.474 121.223 0.028 0.000 2.079 24 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 24 L C 2.135 179.022 176.870 0.029 0.000 1.081 24 L CA 1.067 55.925 54.840 0.030 0.000 0.752 24 L CB -0.821 41.256 42.059 0.029 0.000 0.896 24 L HN 0.275 nan 8.230 nan 0.000 0.433 25 D N 0.283 120.699 120.400 0.026 0.000 2.097 25 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 25 D C 2.171 178.486 176.300 0.026 0.000 0.989 25 D CA 1.560 55.575 54.000 0.025 0.000 0.827 25 D CB 0.029 40.843 40.800 0.023 0.000 0.966 25 D HN 0.294 nan 8.370 nan 0.000 0.456 26 A N -0.721 122.115 122.820 0.026 0.000 2.172 26 A HA 0.250 4.570 4.320 -0.000 0.000 0.216 26 A C 1.759 179.360 177.584 0.027 0.000 1.154 26 A CA 1.783 53.836 52.037 0.027 0.000 0.701 26 A CB -0.089 18.928 19.000 0.028 0.000 0.789 26 A HN 0.356 nan 8.150 nan 0.000 0.465 27 G N -2.269 106.548 108.800 0.029 0.000 2.273 27 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.162 27 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.162 27 G C 0.253 175.172 174.900 0.032 0.000 1.006 27 G CA 0.040 45.158 45.100 0.030 0.000 0.704 27 G HN 0.625 nan 8.290 nan 0.000 0.487 28 M N 0.860 120.480 119.600 0.033 0.000 2.252 28 M HA 0.458 4.938 4.480 -0.000 0.000 0.333 28 M C 0.962 177.285 176.300 0.039 0.000 1.111 28 M CA 1.422 56.743 55.300 0.035 0.000 1.140 28 M CB 0.258 32.879 32.600 0.036 0.000 1.538 28 M HN 0.157 nan 8.290 nan 0.000 0.448 29 N N 1.705 120.431 118.700 0.042 0.000 2.218 29 N HA 0.251 4.991 4.740 -0.000 0.000 0.224 29 N C -1.365 174.182 175.510 0.062 0.000 1.248 29 N CA -0.310 52.771 53.050 0.051 0.000 0.875 29 N CB 1.317 39.836 38.487 0.053 0.000 1.165 29 N HN 0.356 nan 8.380 nan 0.000 0.485 30 V N 1.521 121.470 119.914 0.058 0.000 2.841 30 V HA 0.391 4.511 4.120 -0.000 0.000 0.310 30 V C -1.114 175.019 176.094 0.066 0.000 1.090 30 V CA -0.762 61.583 62.300 0.074 0.000 0.930 30 V CB 2.471 34.340 31.823 0.076 0.000 1.014 30 V HN 0.152 nan 8.190 nan 0.000 0.425 31 M N 4.924 124.569 119.600 0.075 0.000 2.180 31 M HA 0.604 5.084 4.480 -0.000 0.000 0.350 31 M C -0.331 176.028 176.300 0.098 0.000 1.125 31 M CA -0.503 54.843 55.300 0.077 0.000 1.031 31 M CB 0.911 33.555 32.600 0.073 0.000 1.623 31 M HN 0.793 nan 8.290 nan 0.000 0.451 32 R N 5.367 125.923 120.500 0.095 0.000 2.312 32 R HA 0.602 4.941 4.340 -0.000 0.000 0.311 32 R C -1.908 174.472 176.300 0.134 0.000 1.004 32 R CA -0.507 55.659 56.100 0.109 0.000 0.902 32 R CB 0.944 31.295 30.300 0.085 0.000 1.073 32 R HN 0.860 nan 8.270 nan 0.000 0.457 33 L N 4.188 125.514 121.223 0.172 0.000 2.294 33 L HA 0.312 4.652 4.340 -0.000 0.000 0.283 33 L C -0.375 176.610 176.870 0.193 0.000 1.015 33 L CA -0.938 54.014 54.840 0.187 0.000 0.831 33 L CB 1.456 43.663 42.059 0.245 0.000 1.217 33 L HN 0.649 nan 8.230 nan 0.000 0.420 34 N N 2.848 121.633 118.700 0.143 0.000 2.437 34 N HA 0.141 4.881 4.740 -0.000 0.000 0.243 34 N C -0.025 175.529 175.510 0.074 0.000 1.041 34 N CA -0.124 53.005 53.050 0.132 0.000 0.940 34 N CB 0.431 38.990 38.487 0.119 0.000 1.133 34 N HN 0.311 nan 8.380 nan 0.000 0.506 35 F N 1.569 121.494 119.950 -0.042 0.000 2.695 35 F HA 0.151 4.678 4.527 -0.000 0.000 0.301 35 F C 1.957 177.691 175.800 -0.111 0.000 1.182 35 F CA 0.034 57.990 58.000 -0.073 0.000 1.412 35 F CB 0.007 38.945 39.000 -0.103 0.000 1.056 35 F HN 0.470 nan 8.300 nan 0.000 0.522 36 S N -1.275 114.369 115.700 -0.092 0.000 2.481 36 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 36 S C 0.365 174.569 174.600 -0.661 0.000 0.996 36 S CA 0.693 58.662 58.200 -0.385 0.000 0.942 36 S CB -0.207 62.678 63.200 -0.525 0.000 0.768 36 S HN 0.342 nan 8.310 nan 0.000 0.520 37 H N -1.548 117.504 119.070 -0.031 0.000 2.960 37 H HA 0.514 5.070 4.556 -0.000 0.000 0.323 37 H C 0.306 175.538 175.328 -0.160 0.000 1.326 37 H CA -0.334 55.662 56.048 -0.086 0.000 1.124 37 H CB 0.902 30.613 29.762 -0.085 0.000 1.853 37 H HN 0.274 nan 8.280 nan 0.000 0.536 38 G N 1.257 110.003 108.800 -0.090 0.000 2.758 38 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.686 38 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.686 38 G C -1.004 173.655 174.900 -0.402 0.000 1.389 38 G CA -0.129 44.755 45.100 -0.359 0.000 0.845 38 G HN 0.916 nan 8.290 nan 0.000 0.572 39 D N -1.055 119.084 120.400 -0.435 0.000 2.449 39 D HA 0.575 5.215 4.640 -0.000 0.000 0.250 39 D C 1.076 177.173 176.300 -0.337 0.000 1.050 39 D CA -0.986 52.769 54.000 -0.409 0.000 1.024 39 D CB 0.311 40.949 40.800 -0.269 0.000 1.218 39 D HN 0.326 nan 8.370 nan 0.000 0.566 40 Y N -0.106 120.110 120.300 -0.139 0.000 2.256 40 Y HA -0.012 4.538 4.550 -0.000 0.000 0.288 40 Y C 2.548 178.461 175.900 0.022 0.000 1.155 40 Y CA 1.385 59.347 58.100 -0.230 0.000 1.203 40 Y CB -1.087 37.226 38.460 -0.245 0.000 0.980 40 Y HN 0.574 nan 8.280 nan 0.000 0.530 41 A N -0.011 122.886 122.820 0.127 0.000 1.968 41 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 41 A C 2.101 179.731 177.584 0.077 0.000 1.169 41 A CA 1.296 53.412 52.037 0.131 0.000 0.638 41 A CB -0.427 18.620 19.000 0.079 0.000 0.812 41 A HN 0.486 nan 8.150 nan 0.000 0.446 42 E N -0.627 119.542 120.200 -0.052 0.000 2.007 42 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 42 E C 1.939 178.503 176.600 -0.061 0.000 0.999 42 E CA 1.283 57.602 56.400 -0.135 0.000 0.811 42 E CB -0.492 29.017 29.700 -0.319 0.000 0.762 42 E HN 0.653 nan 8.360 nan 0.000 0.450 43 H N -0.098 118.972 119.070 0.001 0.000 2.357 43 H HA -0.125 4.431 4.556 -0.000 0.000 0.296 43 H C 2.245 177.750 175.328 0.294 0.000 1.108 43 H CA 1.574 57.690 56.048 0.114 0.000 1.273 43 H CB -0.754 29.084 29.762 0.128 0.000 1.367 43 H HN 0.332 nan 8.280 nan 0.000 0.498 44 G N -0.001 109.093 108.800 0.490 0.000 2.408 44 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 44 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 44 G C 1.792 176.811 174.900 0.197 0.000 1.150 44 G CA 0.802 46.135 45.100 0.388 0.000 0.776 44 G HN 0.326 nan 8.290 nan 0.000 0.542 45 Q N 0.452 120.342 119.800 0.150 0.000 2.119 45 Q HA 0.064 4.404 4.340 -0.000 0.000 0.201 45 Q C 2.480 178.530 176.000 0.083 0.000 0.972 45 Q CA 1.247 57.103 55.803 0.088 0.000 0.847 45 Q CB -0.373 28.398 28.738 0.055 0.000 0.903 45 Q HN 0.480 nan 8.270 nan 0.000 0.433 46 R N -0.409 120.152 120.500 0.103 0.000 2.094 46 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 46 R C 2.231 178.592 176.300 0.101 0.000 1.137 46 R CA 1.894 58.053 56.100 0.099 0.000 0.943 46 R CB -0.417 29.959 30.300 0.128 0.000 0.850 46 R HN 0.367 nan 8.270 nan 0.000 0.433 47 I N 0.147 120.796 120.570 0.133 0.000 2.226 47 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 47 I C 2.535 178.683 176.117 0.052 0.000 1.100 47 I CA 1.157 62.511 61.300 0.089 0.000 1.374 47 I CB -0.252 37.803 38.000 0.091 0.000 1.057 47 I HN 0.266 nan 8.210 nan 0.000 0.413 48 Q N 1.338 121.175 119.800 0.061 0.000 2.050 48 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 48 Q C 1.920 177.937 176.000 0.030 0.000 0.980 48 Q CA 1.788 57.613 55.803 0.037 0.000 0.840 48 Q CB -0.181 28.582 28.738 0.042 0.000 0.898 48 Q HN 0.381 nan 8.270 nan 0.000 0.424 49 N N -0.120 118.601 118.700 0.035 0.000 2.205 49 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 49 N C 1.497 177.021 175.510 0.023 0.000 1.015 49 N CA 1.036 54.102 53.050 0.027 0.000 0.862 49 N CB -0.327 38.176 38.487 0.027 0.000 0.986 49 N HN 0.259 nan 8.380 nan 0.000 0.429 50 L N 1.453 122.692 121.223 0.027 0.000 2.072 50 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 50 L C 2.052 178.927 176.870 0.008 0.000 1.079 50 L CA 1.444 56.296 54.840 0.020 0.000 0.752 50 L CB -0.286 41.786 42.059 0.021 0.000 0.906 50 L HN -0.029 nan 8.230 nan 0.000 0.436 51 R N -0.609 119.893 120.500 0.003 0.000 2.189 51 R HA -0.125 4.215 4.340 -0.000 0.000 0.223 51 R C 1.906 178.209 176.300 0.005 0.000 1.092 51 R CA 1.226 57.322 56.100 -0.007 0.000 0.989 51 R CB -0.390 29.902 30.300 -0.014 0.000 0.876 51 R HN 0.474 nan 8.270 nan 0.000 0.457 52 N N -0.010 118.696 118.700 0.011 0.000 2.022 52 N HA -0.148 4.592 4.740 -0.000 0.000 0.194 52 N C 1.722 177.240 175.510 0.013 0.000 1.057 52 N CA 1.409 54.467 53.050 0.012 0.000 0.849 52 N CB -0.334 38.161 38.487 0.014 0.000 1.044 52 N HN -0.121 nan 8.380 nan 0.000 0.424 53 V N 1.187 121.110 119.914 0.015 0.000 2.313 53 V HA -0.360 3.760 4.120 -0.000 0.000 0.253 53 V C 2.218 178.323 176.094 0.017 0.000 1.070 53 V CA 1.717 64.027 62.300 0.016 0.000 1.057 53 V CB -0.560 31.273 31.823 0.017 0.000 0.653 53 V HN 0.369 nan 8.190 nan 0.000 0.450 54 M N -0.142 119.467 119.600 0.016 0.000 2.084 54 M HA -0.222 4.258 4.480 -0.000 0.000 0.259 54 M C 2.557 178.871 176.300 0.023 0.000 1.072 54 M CA 2.531 57.843 55.300 0.019 0.000 1.107 54 M CB -0.553 32.056 32.600 0.014 0.000 1.299 54 M HN 0.484 nan 8.290 nan 0.000 0.413 55 S N 0.044 115.757 115.700 0.020 0.000 2.383 55 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 55 S C 1.784 176.394 174.600 0.018 0.000 1.030 55 S CA 1.472 59.684 58.200 0.020 0.000 1.002 55 S CB -0.239 62.971 63.200 0.017 0.000 0.829 55 S HN 0.389 nan 8.310 nan 0.000 0.467 56 K N -0.069 120.341 120.400 0.016 0.000 2.366 56 K HA 0.008 4.328 4.320 -0.000 0.000 0.198 56 K C 1.748 178.357 176.600 0.016 0.000 1.044 56 K CA 1.459 57.755 56.287 0.015 0.000 0.973 56 K CB -0.010 32.498 32.500 0.014 0.000 0.767 56 K HN 0.734 nan 8.250 nan 0.000 0.475 57 T N -5.072 109.493 114.554 0.018 0.000 2.975 57 T HA 0.209 4.559 4.350 -0.000 0.000 0.261 57 T C 1.298 176.010 174.700 0.021 0.000 0.984 57 T CA 0.361 62.473 62.100 0.019 0.000 0.911 57 T CB 0.963 69.843 68.868 0.020 0.000 1.127 57 T HN 0.204 nan 8.240 nan 0.000 0.514 58 G N 2.232 111.046 108.800 0.023 0.000 2.184 58 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 58 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 58 G C 0.077 174.996 174.900 0.031 0.000 0.975 58 G CA 0.224 45.340 45.100 0.026 0.000 0.642 58 G HN 0.650 nan 8.290 nan 0.000 0.536 59 K N 0.923 121.342 120.400 0.031 0.000 2.219 59 K HA 0.456 4.776 4.320 -0.000 0.000 0.258 59 K C 0.397 177.024 176.600 0.045 0.000 1.008 59 K CA 0.731 57.040 56.287 0.036 0.000 0.928 59 K CB 0.511 33.030 32.500 0.032 0.000 0.983 59 K HN 0.302 nan 8.250 nan 0.000 0.484 60 T N -0.658 113.928 114.554 0.054 0.000 2.912 60 T HA 0.715 5.065 4.350 -0.000 0.000 0.288 60 T C -0.533 174.206 174.700 0.065 0.000 1.030 60 T CA -1.012 61.134 62.100 0.076 0.000 1.020 60 T CB 1.932 70.864 68.868 0.106 0.000 1.056 60 T HN 0.680 nan 8.240 nan 0.000 0.480 61 A N 0.678 123.530 122.820 0.053 0.000 2.567 61 A HA 1.013 5.333 4.320 -0.000 0.000 0.289 61 A C -1.235 176.367 177.584 0.030 0.000 1.177 61 A CA -0.777 51.286 52.037 0.043 0.000 0.694 61 A CB 1.090 20.102 19.000 0.020 0.000 1.292 61 A HN 1.369 nan 8.150 nan 0.000 0.425 62 A N -0.534 122.323 122.820 0.061 0.000 2.479 62 A HA 0.852 5.172 4.320 -0.000 0.000 0.296 62 A C -1.210 176.423 177.584 0.081 0.000 1.121 62 A CA -0.485 51.590 52.037 0.063 0.000 0.743 62 A CB 0.914 20.046 19.000 0.220 0.000 1.323 62 A HN 0.830 nan 8.150 nan 0.000 0.415 63 I N 0.888 121.502 120.570 0.074 0.000 2.418 63 I HA 0.435 4.605 4.170 -0.000 0.000 0.287 63 I C -0.786 175.448 176.117 0.195 0.000 1.008 63 I CA -0.296 61.066 61.300 0.103 0.000 1.104 63 I CB 1.750 39.771 38.000 0.036 0.000 1.264 63 I HN 0.599 nan 8.210 nan 0.000 0.438 64 L N 7.372 128.722 121.223 0.211 0.000 2.333 64 L HA 0.611 4.951 4.340 -0.000 0.000 0.280 64 L C -1.370 175.605 176.870 0.174 0.000 1.004 64 L CA -0.634 54.342 54.840 0.226 0.000 0.820 64 L CB 1.680 43.842 42.059 0.172 0.000 1.247 64 L HN 0.593 nan 8.230 nan 0.000 0.416 65 L N 4.863 126.183 121.223 0.161 0.000 2.264 65 L HA 0.419 4.759 4.340 -0.000 0.000 0.289 65 L C -0.776 176.165 176.870 0.119 0.000 1.044 65 L CA -0.360 54.565 54.840 0.142 0.000 0.807 65 L CB 0.987 43.072 42.059 0.045 0.000 1.192 65 L HN 0.629 nan 8.230 nan 0.000 0.425 66 D N 3.617 124.115 120.400 0.164 0.000 2.317 66 D HA 0.159 4.799 4.640 -0.000 0.000 0.234 66 D C -0.038 176.324 176.300 0.103 0.000 1.112 66 D CA -0.112 53.961 54.000 0.120 0.000 0.840 66 D CB 1.366 42.237 40.800 0.118 0.000 1.078 66 D HN 0.616 nan 8.370 nan 0.000 0.486 67 T N 0.649 115.234 114.554 0.053 0.000 2.813 67 T HA 0.110 4.460 4.350 -0.000 0.000 0.297 67 T C 1.194 175.923 174.700 0.048 0.000 1.036 67 T CA -0.392 61.727 62.100 0.031 0.000 1.044 67 T CB 1.871 70.740 68.868 0.001 0.000 0.993 67 T HN 0.383 nan 8.240 nan 0.000 0.535 68 K N 1.043 121.466 120.400 0.038 0.000 2.067 68 K HA 0.267 4.587 4.320 -0.000 0.000 0.203 68 K C 0.979 177.569 176.600 -0.017 0.000 1.048 68 K CA 0.875 57.163 56.287 0.001 0.000 0.954 68 K CB -0.790 31.701 32.500 -0.016 0.000 0.737 68 K HN 1.193 nan 8.250 nan 0.000 0.444 69 G N 1.651 110.442 108.800 -0.016 0.000 2.675 69 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 69 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 69 G C -2.884 171.974 174.900 -0.070 0.000 1.215 69 G CA -0.596 44.491 45.100 -0.021 0.000 0.777 69 G HN 0.153 nan 8.290 nan 0.000 0.638 70 P HA 0.404 nan 4.420 nan 0.000 0.269 70 P C -0.099 177.042 177.300 -0.264 0.000 1.215 70 P CA 0.429 63.452 63.100 -0.128 0.000 0.780 70 P CB 1.156 32.804 31.700 -0.086 0.000 0.898 71 E N 0.358 120.410 120.200 -0.246 0.000 2.430 71 E HA 0.488 4.837 4.350 -0.000 0.000 0.279 71 E C -0.899 175.555 176.600 -0.242 0.000 1.003 71 E CA -0.783 55.436 56.400 -0.302 0.000 0.801 71 E CB 1.806 31.392 29.700 -0.190 0.000 1.313 71 E HN 0.327 nan 8.360 nan 0.000 0.459 72 I N 2.085 122.517 120.570 -0.230 0.000 2.362 72 I HA 0.442 4.612 4.170 -0.000 0.000 0.289 72 I C -0.113 175.958 176.117 -0.078 0.000 0.994 72 I CA -0.518 60.715 61.300 -0.111 0.000 1.158 72 I CB 1.021 38.997 38.000 -0.041 0.000 1.315 72 I HN 0.170 nan 8.210 nan 0.000 0.451 73 R N 3.044 123.512 120.500 -0.054 0.000 2.854 73 R HA 0.569 4.909 4.340 -0.000 0.000 0.271 73 R C -0.378 175.901 176.300 -0.035 0.000 0.994 73 R CA -0.752 55.324 56.100 -0.040 0.000 0.945 73 R CB 2.579 32.862 30.300 -0.029 0.000 1.194 73 R HN 0.677 nan 8.270 nan 0.000 0.476 74 T N -1.478 113.079 114.554 0.005 0.000 2.874 74 T HA 0.463 4.813 4.350 -0.000 0.000 0.281 74 T C 0.958 175.680 174.700 0.037 0.000 0.994 74 T CA -0.567 61.565 62.100 0.053 0.000 1.015 74 T CB 1.052 70.003 68.868 0.137 0.000 1.028 74 T HN 0.386 nan 8.240 nan 0.000 0.523 75 M N 0.077 119.702 119.600 0.041 0.000 2.318 75 M HA 0.455 4.934 4.480 -0.000 0.000 0.215 75 M C 0.428 176.745 176.300 0.028 0.000 0.683 75 M CA -1.055 54.259 55.300 0.024 0.000 1.862 75 M CB 0.249 32.856 32.600 0.011 0.000 1.122 75 M HN 0.397 nan 8.290 nan 0.000 0.905 76 K N 1.516 121.927 120.400 0.019 0.000 2.126 76 K HA 0.637 4.957 4.320 -0.000 0.000 0.257 76 K C -0.897 175.716 176.600 0.021 0.000 1.007 76 K CA -0.136 56.161 56.287 0.017 0.000 0.928 76 K CB 1.024 33.529 32.500 0.008 0.000 1.013 76 K HN 0.409 nan 8.250 nan 0.000 0.473 77 L N 1.156 122.391 121.223 0.020 0.000 2.370 77 L HA 0.296 4.636 4.340 -0.000 0.000 0.266 77 L C 0.067 176.944 176.870 0.012 0.000 1.002 77 L CA -0.929 53.923 54.840 0.021 0.000 0.818 77 L CB 2.004 44.082 42.059 0.030 0.000 1.325 77 L HN 0.536 nan 8.230 nan 0.000 0.418 78 E N 1.167 121.373 120.200 0.009 0.000 2.585 78 E HA 0.082 4.432 4.350 -0.000 0.000 0.252 78 E C 0.941 177.544 176.600 0.005 0.000 0.981 78 E CA 1.033 57.436 56.400 0.004 0.000 0.943 78 E CB 0.312 30.013 29.700 0.002 0.000 0.923 78 E HN 0.863 nan 8.360 nan 0.000 0.486 79 G N 3.266 112.068 108.800 0.003 0.000 2.180 79 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 79 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 79 G C 0.901 175.803 174.900 0.003 0.000 0.989 79 G CA 0.467 45.569 45.100 0.002 0.000 0.692 79 G HN 1.276 nan 8.290 nan 0.000 0.526 80 G N -1.691 107.112 108.800 0.005 0.000 2.160 80 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.251 80 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.251 80 G C 0.000 174.905 174.900 0.007 0.000 1.008 80 G CA 0.741 45.845 45.100 0.006 0.000 0.724 80 G HN 1.144 nan 8.290 nan 0.000 0.514 81 N N 0.526 119.231 118.700 0.009 0.000 2.405 81 N HA 0.512 5.252 4.740 -0.000 0.000 0.299 81 N C -0.451 175.067 175.510 0.013 0.000 1.075 81 N CA -0.714 52.341 53.050 0.009 0.000 0.884 81 N CB 0.924 39.415 38.487 0.007 0.000 1.194 81 N HN 0.118 nan 8.380 nan 0.000 0.491 82 D N 0.265 120.671 120.400 0.010 0.000 2.382 82 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 82 D C -0.368 175.939 176.300 0.011 0.000 1.146 82 D CA 0.036 54.041 54.000 0.009 0.000 0.897 82 D CB 0.702 41.504 40.800 0.003 0.000 1.197 82 D HN 0.185 nan 8.370 nan 0.000 0.432 83 V N -1.649 118.271 119.914 0.011 0.000 2.709 83 V HA 0.627 4.747 4.120 -0.000 0.000 0.308 83 V C -0.416 175.674 176.094 -0.006 0.000 1.062 83 V CA -0.937 61.373 62.300 0.015 0.000 0.901 83 V CB 1.966 33.816 31.823 0.045 0.000 1.003 83 V HN 0.407 nan 8.190 nan 0.000 0.425 84 S N 6.014 121.709 115.700 -0.007 0.000 2.452 84 S HA 0.660 5.130 4.470 -0.000 0.000 0.284 84 S C -0.172 174.407 174.600 -0.036 0.000 1.171 84 S CA -0.603 57.582 58.200 -0.024 0.000 1.064 84 S CB 0.747 63.938 63.200 -0.016 0.000 0.967 84 S HN 0.698 nan 8.310 nan 0.000 0.484 85 L N 2.531 123.708 121.223 -0.078 0.000 2.379 85 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 85 L C 0.501 177.335 176.870 -0.060 0.000 1.084 85 L CA -0.645 54.134 54.840 -0.101 0.000 0.802 85 L CB 0.871 42.777 42.059 -0.254 0.000 1.175 85 L HN 0.733 nan 8.230 nan 0.000 0.448 86 K N 1.728 122.107 120.400 -0.035 0.000 2.397 86 K HA 0.759 5.079 4.320 -0.000 0.000 0.253 86 K C -0.176 176.417 176.600 -0.010 0.000 0.932 86 K CA -0.221 56.055 56.287 -0.018 0.000 0.795 86 K CB 1.664 34.160 32.500 -0.006 0.000 1.159 86 K HN 0.777 nan 8.250 nan 0.000 0.424 87 A N 0.339 123.153 122.820 -0.010 0.000 2.587 87 A HA 0.463 4.782 4.320 -0.000 0.000 0.235 87 A C 1.741 179.330 177.584 0.009 0.000 1.044 87 A CA 1.710 53.747 52.037 -0.001 0.000 0.754 87 A CB -0.835 18.165 19.000 -0.001 0.000 0.968 87 A HN 2.594 nan 8.150 nan 0.000 0.509 88 G N 0.520 109.330 108.800 0.017 0.000 2.284 88 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.230 88 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.230 88 G C 0.554 175.471 174.900 0.028 0.000 1.021 88 G CA 0.611 45.724 45.100 0.021 0.000 0.619 88 G HN 1.530 nan 8.290 nan 0.000 0.510 89 Q N 1.389 121.207 119.800 0.030 0.000 2.474 89 Q HA 0.482 4.822 4.340 -0.000 0.000 0.256 89 Q C -0.265 175.773 176.000 0.064 0.000 1.048 89 Q CA 0.844 56.673 55.803 0.044 0.000 0.922 89 Q CB 0.375 29.141 28.738 0.047 0.000 1.288 89 Q HN 0.225 nan 8.270 nan 0.000 0.484 90 T N 3.024 117.618 114.554 0.066 0.000 2.889 90 T HA 0.501 4.851 4.350 -0.000 0.000 0.291 90 T C -1.215 173.560 174.700 0.125 0.000 0.995 90 T CA -0.192 61.953 62.100 0.074 0.000 1.092 90 T CB 0.273 69.162 68.868 0.034 0.000 0.954 90 T HN 0.453 nan 8.240 nan 0.000 0.506 91 F N 1.198 121.108 119.950 -0.067 0.000 2.613 91 F HA 0.605 5.132 4.527 -0.000 0.000 0.310 91 F C -0.710 174.971 175.800 -0.199 0.000 1.085 91 F CA -0.434 57.476 58.000 -0.150 0.000 0.945 91 F CB 2.232 41.115 39.000 -0.194 0.000 1.298 91 F HN 0.480 nan 8.300 nan 0.000 0.455 92 T N 4.083 118.145 114.554 -0.819 0.000 2.956 92 T HA 0.542 4.892 4.350 -0.000 0.000 0.312 92 T C -1.547 172.674 174.700 -0.799 0.000 1.151 92 T CA -0.389 61.384 62.100 -0.546 0.000 1.024 92 T CB 1.070 69.761 68.868 -0.295 0.000 1.140 92 T HN 0.279 nan 8.240 nan 0.000 0.473 93 F N 1.267 121.162 119.950 -0.092 0.000 2.450 93 F HA 0.666 5.193 4.527 -0.000 0.000 0.332 93 F C 0.906 176.655 175.800 -0.085 0.000 1.093 93 F CA -0.699 57.236 58.000 -0.107 0.000 1.003 93 F CB 1.998 40.936 39.000 -0.104 0.000 1.151 93 F HN 0.342 nan 8.300 nan 0.000 0.474 94 T N 0.280 114.861 114.554 0.046 0.000 2.848 94 T HA 0.277 4.627 4.350 -0.000 0.000 0.285 94 T C 0.774 175.467 174.700 -0.012 0.000 0.995 94 T CA -0.401 61.703 62.100 0.007 0.000 0.970 94 T CB 1.032 69.876 68.868 -0.039 0.000 0.976 94 T HN 0.803 nan 8.240 nan 0.000 0.441 95 T N 0.657 115.210 114.554 -0.001 0.000 3.118 95 T HA 0.060 4.410 4.350 -0.000 0.000 0.260 95 T C 0.667 175.353 174.700 -0.022 0.000 1.139 95 T CA 0.032 62.118 62.100 -0.022 0.000 1.085 95 T CB -0.075 68.778 68.868 -0.024 0.000 0.934 95 T HN 0.497 nan 8.240 nan 0.000 0.518 96 D N 1.961 122.349 120.400 -0.019 0.000 2.416 96 D HA 0.137 4.777 4.640 -0.000 0.000 0.240 96 D C 0.845 177.134 176.300 -0.018 0.000 1.250 96 D CA -0.073 53.917 54.000 -0.018 0.000 0.967 96 D CB 0.495 41.284 40.800 -0.020 0.000 1.059 96 D HN 0.280 nan 8.370 nan 0.000 0.512 97 K N 0.856 121.248 120.400 -0.013 0.000 2.588 97 K HA -0.150 4.169 4.320 -0.000 0.000 0.196 97 K C 1.646 178.241 176.600 -0.009 0.000 1.044 97 K CA 1.004 57.285 56.287 -0.009 0.000 0.934 97 K CB 0.167 32.665 32.500 -0.003 0.000 0.773 97 K HN 0.329 nan 8.250 nan 0.000 0.489 98 S N -1.028 114.665 115.700 -0.012 0.000 2.503 98 S HA 0.060 4.529 4.470 -0.000 0.000 0.215 98 S C 0.686 175.277 174.600 -0.014 0.000 1.003 98 S CA -0.543 57.651 58.200 -0.011 0.000 0.910 98 S CB 0.205 63.399 63.200 -0.010 0.000 0.790 98 S HN -0.099 nan 8.310 nan 0.000 0.514 99 V N 3.088 122.990 119.914 -0.020 0.000 2.740 99 V HA 0.282 4.402 4.120 -0.000 0.000 0.303 99 V C 0.174 176.254 176.094 -0.023 0.000 1.054 99 V CA -0.040 62.244 62.300 -0.027 0.000 1.106 99 V CB 0.599 32.398 31.823 -0.039 0.000 0.957 99 V HN 0.464 nan 8.190 nan 0.000 0.486 100 I N 3.765 124.320 120.570 -0.024 0.000 2.411 100 I HA 0.432 4.602 4.170 -0.000 0.000 0.284 100 I C 0.757 176.858 176.117 -0.026 0.000 1.012 100 I CA -0.002 61.287 61.300 -0.017 0.000 1.119 100 I CB 1.380 39.373 38.000 -0.011 0.000 1.261 100 I HN 0.758 nan 8.210 nan 0.000 0.448 101 G N 5.113 113.901 108.800 -0.021 0.000 2.557 101 G HA2 0.569 4.529 3.960 -0.000 0.000 0.292 101 G HA3 0.569 4.529 3.960 -0.000 0.000 0.292 101 G C -0.433 174.461 174.900 -0.009 0.000 1.237 101 G CA -0.224 44.854 45.100 -0.036 0.000 0.978 101 G HN 0.738 nan 8.290 nan 0.000 0.498 102 N N -3.271 115.425 118.700 -0.006 0.000 3.522 102 N HA 0.205 4.945 4.740 -0.000 0.000 0.328 102 N C 0.789 176.354 175.510 0.092 0.000 1.623 102 N CA 0.084 53.150 53.050 0.027 0.000 0.812 102 N CB 0.446 38.932 38.487 -0.002 0.000 2.008 102 N HN 0.464 nan 8.380 nan 0.000 0.601 103 S N -1.716 114.039 115.700 0.093 0.000 2.595 103 S HA 0.019 4.489 4.470 -0.000 0.000 0.235 103 S C 0.475 175.196 174.600 0.202 0.000 0.974 103 S CA 0.977 59.276 58.200 0.165 0.000 0.942 103 S CB -0.449 62.802 63.200 0.084 0.000 0.766 103 S HN 0.544 nan 8.310 nan 0.000 0.536 104 E N 0.155 120.369 120.200 0.023 0.000 2.399 104 E HA 0.400 4.750 4.350 -0.000 0.000 0.205 104 E C 0.369 176.601 176.600 -0.614 0.000 0.906 104 E CA 0.511 56.832 56.400 -0.132 0.000 0.998 104 E CB 0.804 30.434 29.700 -0.117 0.000 1.002 104 E HN 0.871 nan 8.360 nan 0.000 0.501 105 M N -1.995 117.180 119.600 -0.709 0.000 2.694 105 M HA 0.532 5.012 4.480 -0.000 0.000 0.276 105 M C -1.991 173.966 176.300 -0.570 0.000 1.167 105 M CA -0.878 53.831 55.300 -0.985 0.000 0.849 105 M CB 2.192 34.456 32.600 -0.559 0.000 1.705 105 M HN -0.200 nan 8.290 nan 0.000 0.504 106 V N 1.035 120.641 119.914 -0.514 0.000 3.147 106 V HA 0.992 5.112 4.120 -0.000 0.000 0.306 106 V C -1.161 174.899 176.094 -0.058 0.000 1.209 106 V CA -0.090 62.127 62.300 -0.137 0.000 1.023 106 V CB 2.438 34.326 31.823 0.108 0.000 1.059 106 V HN 1.291 nan 8.190 nan 0.000 0.435 107 A N 2.915 125.733 122.820 -0.003 0.000 2.282 107 A HA 0.891 5.211 4.320 -0.000 0.000 0.319 107 A C -0.562 177.025 177.584 0.005 0.000 1.121 107 A CA -0.080 51.954 52.037 -0.005 0.000 0.836 107 A CB 1.498 20.487 19.000 -0.019 0.000 1.146 107 A HN 1.784 nan 8.150 nan 0.000 0.494 108 V N -0.880 118.996 119.914 -0.064 0.000 2.769 108 V HA 0.635 4.755 4.120 -0.000 0.000 0.312 108 V C 0.752 176.813 176.094 -0.055 0.000 1.061 108 V CA 0.143 62.366 62.300 -0.128 0.000 0.931 108 V CB 0.911 32.477 31.823 -0.428 0.000 1.010 108 V HN 1.136 nan 8.190 nan 0.000 0.433 109 T N -0.927 113.619 114.554 -0.013 0.000 3.113 109 T HA 0.012 4.362 4.350 -0.000 0.000 0.263 109 T C 0.343 175.108 174.700 0.109 0.000 1.143 109 T CA 1.101 63.221 62.100 0.033 0.000 1.090 109 T CB -0.516 68.370 68.868 0.029 0.000 0.922 109 T HN 0.908 nan 8.240 nan 0.000 0.521 110 Y N 1.747 122.027 120.300 -0.032 0.000 2.587 110 Y HA 0.418 4.968 4.550 -0.000 0.000 0.328 110 Y C 0.958 176.901 175.900 0.072 0.000 0.980 110 Y CA -2.450 55.668 58.100 0.030 0.000 1.272 110 Y CB 0.724 39.234 38.460 0.083 0.000 1.094 110 Y HN 0.050 nan 8.280 nan 0.000 0.503 111 E N 3.011 123.113 120.200 -0.164 0.000 2.187 111 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 111 E C 1.289 177.625 176.600 -0.440 0.000 1.004 111 E CA 1.488 57.752 56.400 -0.227 0.000 0.813 111 E CB 0.060 29.698 29.700 -0.104 0.000 0.736 111 E HN 0.963 nan 8.360 nan 0.000 0.468 112 G N -0.739 107.417 108.800 -1.073 0.000 3.314 112 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.238 112 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.238 112 G C 0.839 175.312 174.900 -0.713 0.000 1.184 112 G CA -0.470 44.103 45.100 -0.879 0.000 0.806 112 G HN 0.167 nan 8.290 nan 0.000 0.536 113 F N 2.398 121.917 119.950 -0.720 0.000 2.171 113 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 113 F C 2.879 178.637 175.800 -0.070 0.000 1.090 113 F CA 2.057 59.965 58.000 -0.155 0.000 1.293 113 F CB -0.009 38.963 39.000 -0.048 0.000 1.013 113 F HN 0.231 nan 8.300 nan 0.000 0.486 114 T N -4.253 110.344 114.554 0.072 0.000 3.014 114 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 114 T C 1.778 176.461 174.700 -0.028 0.000 1.078 114 T CA 1.364 63.484 62.100 0.034 0.000 1.135 114 T CB -0.819 68.079 68.868 0.051 0.000 0.895 114 T HN 0.212 nan 8.240 nan 0.000 0.480 115 T N 1.803 116.326 114.554 -0.051 0.000 2.896 115 T HA -0.007 4.342 4.350 -0.000 0.000 0.263 115 T C 1.406 176.089 174.700 -0.028 0.000 1.050 115 T CA 1.063 63.142 62.100 -0.035 0.000 1.140 115 T CB -0.335 68.515 68.868 -0.031 0.000 0.877 115 T HN 0.328 nan 8.240 nan 0.000 0.457 116 D N 0.389 120.774 120.400 -0.025 0.000 2.277 116 D HA 0.126 4.766 4.640 -0.000 0.000 0.208 116 D C 0.665 176.928 176.300 -0.062 0.000 0.962 116 D CA 0.162 54.162 54.000 -0.000 0.000 0.865 116 D CB -0.175 40.683 40.800 0.097 0.000 0.939 116 D HN 0.180 nan 8.370 nan 0.000 0.510 117 L N 0.103 121.242 121.223 -0.139 0.000 2.479 117 L HA 0.371 4.711 4.340 -0.000 0.000 0.249 117 L C 0.245 177.063 176.870 -0.086 0.000 1.178 117 L CA 0.001 54.736 54.840 -0.175 0.000 0.811 117 L CB 1.103 42.952 42.059 -0.350 0.000 1.187 117 L HN -0.264 nan 8.230 nan 0.000 0.480 118 S N -0.698 114.965 115.700 -0.063 0.000 2.533 118 S HA 0.405 4.875 4.470 -0.000 0.000 0.271 118 S C -1.096 173.499 174.600 -0.008 0.000 1.143 118 S CA -0.645 57.540 58.200 -0.026 0.000 0.891 118 S CB 1.909 65.098 63.200 -0.019 0.000 1.105 118 S HN 0.258 nan 8.310 nan 0.000 0.468 119 V N 2.779 122.696 119.914 0.005 0.000 2.625 119 V HA 0.284 4.404 4.120 -0.000 0.000 0.305 119 V C 1.548 177.651 176.094 0.015 0.000 1.055 119 V CA 2.280 64.591 62.300 0.017 0.000 1.209 119 V CB 0.048 31.884 31.823 0.020 0.000 0.877 119 V HN 1.390 nan 8.190 nan 0.000 0.489 120 G N 3.747 112.560 108.800 0.023 0.000 2.259 120 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 120 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 120 G C 0.236 175.146 174.900 0.018 0.000 1.001 120 G CA 0.125 45.238 45.100 0.020 0.000 0.627 120 G HN 0.648 nan 8.290 nan 0.000 0.501 121 N N 1.042 119.748 118.700 0.009 0.000 2.479 121 N HA 0.407 5.147 4.740 -0.000 0.000 0.257 121 N C -0.233 175.285 175.510 0.014 0.000 1.232 121 N CA 0.763 53.812 53.050 -0.002 0.000 0.920 121 N CB 0.419 38.887 38.487 -0.032 0.000 1.105 121 N HN 0.158 nan 8.380 nan 0.000 0.444 122 T N 1.519 116.081 114.554 0.013 0.000 2.799 122 T HA 0.305 4.655 4.350 -0.000 0.000 0.286 122 T C -0.145 174.573 174.700 0.029 0.000 0.973 122 T CA -0.530 61.590 62.100 0.033 0.000 1.035 122 T CB 1.152 70.039 68.868 0.031 0.000 0.932 122 T HN 0.043 nan 8.240 nan 0.000 0.469 123 V N 4.907 124.864 119.914 0.072 0.000 2.547 123 V HA 0.552 4.672 4.120 -0.000 0.000 0.299 123 V C -0.158 175.993 176.094 0.094 0.000 1.040 123 V CA -0.805 61.542 62.300 0.078 0.000 0.913 123 V CB 1.580 33.497 31.823 0.156 0.000 0.992 123 V HN 0.690 nan 8.190 nan 0.000 0.449 124 L N 4.070 125.334 121.223 0.069 0.000 2.341 124 L HA 0.792 5.132 4.340 -0.000 0.000 0.267 124 L C -0.997 175.915 176.870 0.069 0.000 1.009 124 L CA -0.839 54.040 54.840 0.064 0.000 0.819 124 L CB 2.340 44.424 42.059 0.042 0.000 1.323 124 L HN 0.345 nan 8.230 nan 0.000 0.425 125 V N 0.197 120.151 119.914 0.067 0.000 2.925 125 V HA 0.300 4.420 4.120 -0.000 0.000 0.311 125 V C -0.699 175.416 176.094 0.034 0.000 1.104 125 V CA -0.544 61.794 62.300 0.064 0.000 0.954 125 V CB 1.931 33.821 31.823 0.112 0.000 1.022 125 V HN 0.888 nan 8.190 nan 0.000 0.427 126 D N 3.211 123.628 120.400 0.029 0.000 2.927 126 D HA -0.162 4.478 4.640 -0.000 0.000 0.236 126 D C 0.149 176.457 176.300 0.012 0.000 1.163 126 D CA 1.043 55.053 54.000 0.017 0.000 0.801 126 D CB -0.896 39.911 40.800 0.012 0.000 0.975 126 D HN 0.869 nan 8.370 nan 0.000 0.413 127 D N 0.643 121.050 120.400 0.012 0.000 2.704 127 D HA -0.095 4.545 4.640 -0.000 0.000 0.232 127 D C 1.409 177.716 176.300 0.013 0.000 1.183 127 D CA 2.558 56.565 54.000 0.011 0.000 0.647 127 D CB -1.350 39.456 40.800 0.010 0.000 1.013 127 D HN 1.036 nan 8.370 nan 0.000 0.415 128 G N -1.131 107.679 108.800 0.017 0.000 2.162 128 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.260 128 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.260 128 G C 1.012 175.919 174.900 0.012 0.000 0.976 128 G CA 0.660 45.770 45.100 0.017 0.000 0.655 128 G HN 0.576 nan 8.290 nan 0.000 0.533 129 L N 0.066 121.293 121.223 0.008 0.000 2.046 129 L HA 0.363 4.703 4.340 -0.000 0.000 0.208 129 L C 1.246 178.114 176.870 -0.005 0.000 1.077 129 L CA 1.851 56.691 54.840 0.000 0.000 0.747 129 L CB 0.011 42.068 42.059 -0.004 0.000 0.896 129 L HN 0.433 nan 8.230 nan 0.000 0.432 130 I N -0.625 119.943 120.570 -0.003 0.000 2.569 130 I HA 0.531 4.701 4.170 -0.000 0.000 0.296 130 I C 0.194 176.320 176.117 0.016 0.000 1.028 130 I CA -0.522 60.770 61.300 -0.013 0.000 1.082 130 I CB 1.663 39.630 38.000 -0.056 0.000 1.264 130 I HN 0.042 nan 8.210 nan 0.000 0.429 131 G N 5.483 114.296 108.800 0.022 0.000 2.473 131 G HA2 0.898 4.858 3.960 -0.000 0.000 0.321 131 G HA3 0.898 4.858 3.960 -0.000 0.000 0.321 131 G C -0.956 173.981 174.900 0.061 0.000 1.200 131 G CA -0.618 44.511 45.100 0.048 0.000 0.963 131 G HN 0.497 nan 8.290 nan 0.000 0.483 132 M N -0.018 119.644 119.600 0.103 0.000 2.644 132 M HA 0.438 4.918 4.480 -0.000 0.000 0.273 132 M C -1.102 175.274 176.300 0.128 0.000 1.253 132 M CA -0.738 54.638 55.300 0.126 0.000 0.852 132 M CB 2.925 35.647 32.600 0.203 0.000 1.708 132 M HN 0.438 nan 8.290 nan 0.000 0.471 133 E N 1.005 121.274 120.200 0.116 0.000 2.195 133 E HA 0.597 4.947 4.350 -0.000 0.000 0.271 133 E C -1.523 175.147 176.600 0.116 0.000 0.923 133 E CA -0.745 55.713 56.400 0.096 0.000 0.790 133 E CB 2.445 32.185 29.700 0.066 0.000 1.155 133 E HN 0.484 nan 8.360 nan 0.000 0.402 134 V N 3.435 123.407 119.914 0.096 0.000 2.406 134 V HA 0.084 4.204 4.120 -0.000 0.000 0.272 134 V C 1.145 177.281 176.094 0.070 0.000 1.043 134 V CA 0.028 62.389 62.300 0.101 0.000 0.915 134 V CB 0.922 32.792 31.823 0.080 0.000 0.988 134 V HN 0.919 nan 8.190 nan 0.000 0.466 135 T N 1.155 115.755 114.554 0.075 0.000 3.034 135 T HA 0.564 4.914 4.350 -0.000 0.000 0.248 135 T C 0.522 175.250 174.700 0.046 0.000 1.040 135 T CA 0.539 62.672 62.100 0.054 0.000 1.107 135 T CB 0.556 69.455 68.868 0.052 0.000 0.932 135 T HN 0.980 nan 8.240 nan 0.000 0.474 136 A N 0.367 123.221 122.820 0.056 0.000 2.589 136 A HA 0.749 5.069 4.320 -0.000 0.000 0.296 136 A C -1.868 175.751 177.584 0.057 0.000 1.062 136 A CA -0.926 51.139 52.037 0.047 0.000 0.686 136 A CB 1.153 20.175 19.000 0.036 0.000 1.282 136 A HN 0.351 nan 8.150 nan 0.000 0.404 137 I N 1.506 122.103 120.570 0.046 0.000 2.478 137 I HA 0.528 4.698 4.170 -0.000 0.000 0.287 137 I C -0.545 175.593 176.117 0.035 0.000 1.042 137 I CA -0.039 61.292 61.300 0.051 0.000 1.067 137 I CB 2.121 40.145 38.000 0.040 0.000 1.233 137 I HN 0.844 nan 8.210 nan 0.000 0.431 138 E N 5.418 125.639 120.200 0.036 0.000 2.354 138 E HA 0.613 4.963 4.350 -0.000 0.000 0.283 138 E C -0.071 176.542 176.600 0.021 0.000 0.938 138 E CA -0.649 55.765 56.400 0.023 0.000 0.777 138 E CB 1.801 31.511 29.700 0.017 0.000 1.222 138 E HN 0.785 nan 8.360 nan 0.000 0.423 139 G N 3.945 112.753 108.800 0.014 0.000 2.566 139 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.280 139 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.280 139 G C 0.288 175.198 174.900 0.017 0.000 1.225 139 G CA 0.402 45.508 45.100 0.010 0.000 0.966 139 G HN 1.005 nan 8.290 nan 0.000 0.560 140 N N 1.099 119.807 118.700 0.014 0.000 2.413 140 N HA 0.174 4.914 4.740 -0.000 0.000 0.207 140 N C 0.187 175.724 175.510 0.045 0.000 1.206 140 N CA 0.684 53.746 53.050 0.020 0.000 0.832 140 N CB 0.178 38.667 38.487 0.004 0.000 1.037 140 N HN 0.768 nan 8.380 nan 0.000 0.467 141 K N -0.189 120.244 120.400 0.054 0.000 2.378 141 K HA 0.527 4.847 4.320 -0.000 0.000 0.252 141 K C -1.284 175.391 176.600 0.124 0.000 0.931 141 K CA -0.883 55.447 56.287 0.073 0.000 0.794 141 K CB 2.953 35.467 32.500 0.023 0.000 1.181 141 K HN -0.187 nan 8.250 nan 0.000 0.425 142 V N 4.385 124.423 119.914 0.207 0.000 2.407 142 V HA 0.401 4.521 4.120 -0.000 0.000 0.291 142 V C -0.689 175.553 176.094 0.246 0.000 1.018 142 V CA -0.802 61.666 62.300 0.279 0.000 0.842 142 V CB 1.247 33.345 31.823 0.458 0.000 0.996 142 V HN 0.611 nan 8.190 nan 0.000 0.426 143 I N 4.862 125.527 120.570 0.159 0.000 2.354 143 I HA 0.616 4.786 4.170 -0.000 0.000 0.292 143 I C 0.031 176.230 176.117 0.138 0.000 0.989 143 I CA 0.279 61.639 61.300 0.101 0.000 1.188 143 I CB 1.412 39.444 38.000 0.054 0.000 1.342 143 I HN 0.614 nan 8.210 nan 0.000 0.457 144 C N 3.933 123.324 119.300 0.150 0.000 3.235 144 C HA 0.580 5.040 4.460 -0.000 0.000 0.351 144 C C -0.294 174.775 174.990 0.133 0.000 1.520 144 C CA -1.120 58.002 59.018 0.173 0.000 1.474 144 C CB 2.134 30.044 27.740 0.283 0.000 2.019 144 C HN 0.656 nan 8.230 nan 0.000 0.446 145 K N 0.851 121.322 120.400 0.118 0.000 2.323 145 K HA 0.602 4.922 4.320 -0.000 0.000 0.259 145 K C -1.245 175.407 176.600 0.086 0.000 0.947 145 K CA -0.197 56.144 56.287 0.089 0.000 0.819 145 K CB 1.371 33.911 32.500 0.065 0.000 1.109 145 K HN 0.529 nan 8.250 nan 0.000 0.429 146 V N 6.491 126.444 119.914 0.066 0.000 2.521 146 V HA 0.018 4.138 4.120 -0.000 0.000 0.286 146 V C 1.362 177.470 176.094 0.023 0.000 1.034 146 V CA 0.110 62.427 62.300 0.028 0.000 1.045 146 V CB 0.976 32.785 31.823 -0.023 0.000 0.974 146 V HN 0.811 nan 8.190 nan 0.000 0.480 147 L N 4.932 126.169 121.223 0.024 0.000 2.558 147 L HA 0.225 4.565 4.340 -0.000 0.000 0.225 147 L C 0.737 177.612 176.870 0.008 0.000 1.128 147 L CA 0.317 55.170 54.840 0.020 0.000 0.868 147 L CB -0.344 41.731 42.059 0.026 0.000 1.006 147 L HN 0.904 nan 8.230 nan 0.000 0.454 148 N N -1.731 116.966 118.700 -0.004 0.000 2.745 148 N HA 0.089 4.829 4.740 -0.000 0.000 0.256 148 N C -1.361 174.136 175.510 -0.023 0.000 1.268 148 N CA -0.665 52.379 53.050 -0.009 0.000 0.887 148 N CB 0.861 39.345 38.487 -0.005 0.000 1.575 148 N HN -0.240 nan 8.380 nan 0.000 0.496 149 N N -0.925 117.762 118.700 -0.021 0.000 2.530 149 N HA 0.686 5.426 4.740 -0.000 0.000 0.273 149 N C 0.007 175.497 175.510 -0.034 0.000 1.173 149 N CA 0.823 53.857 53.050 -0.027 0.000 0.967 149 N CB 1.088 39.564 38.487 -0.017 0.000 1.109 149 N HN 0.821 nan 8.380 nan 0.000 0.453 150 G N 0.483 109.254 108.800 -0.047 0.000 2.451 150 G HA2 0.236 4.196 3.960 -0.000 0.000 0.292 150 G HA3 0.236 4.196 3.960 -0.000 0.000 0.292 150 G C -2.035 172.832 174.900 -0.056 0.000 1.427 150 G CA -0.700 44.373 45.100 -0.045 0.000 0.792 150 G HN 0.389 nan 8.290 nan 0.000 0.498 151 D N 0.323 120.697 120.400 -0.043 0.000 2.308 151 D HA 0.435 5.075 4.640 -0.000 0.000 0.242 151 D C -0.385 175.888 176.300 -0.045 0.000 1.059 151 D CA -0.345 53.629 54.000 -0.042 0.000 0.830 151 D CB 2.502 43.288 40.800 -0.023 0.000 1.161 151 D HN 0.351 nan 8.370 nan 0.000 0.494 152 L N 2.534 123.721 121.223 -0.060 0.000 2.283 152 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 152 L C 0.537 177.404 176.870 -0.004 0.000 1.073 152 L CA 0.051 54.863 54.840 -0.047 0.000 0.822 152 L CB 0.630 42.633 42.059 -0.093 0.000 1.186 152 L HN 0.380 nan 8.230 nan 0.000 0.436 153 G N 4.245 113.048 108.800 0.005 0.000 2.525 153 G HA2 0.362 4.322 3.960 -0.000 0.000 0.287 153 G HA3 0.362 4.322 3.960 -0.000 0.000 0.287 153 G C -0.741 174.176 174.900 0.027 0.000 1.350 153 G CA -0.652 44.457 45.100 0.014 0.000 1.039 153 G HN 0.705 nan 8.290 nan 0.000 0.513 154 E N -0.029 120.186 120.200 0.024 0.000 2.283 154 E HA 0.186 4.536 4.350 -0.000 0.000 0.271 154 E C -0.100 176.516 176.600 0.025 0.000 1.031 154 E CA -0.702 55.716 56.400 0.029 0.000 0.868 154 E CB 1.061 30.774 29.700 0.022 0.000 1.094 154 E HN 0.646 nan 8.360 nan 0.000 0.401 155 N N 2.087 120.805 118.700 0.029 0.000 2.568 155 N HA -0.166 4.574 4.740 -0.000 0.000 0.277 155 N C -1.335 174.185 175.510 0.016 0.000 1.200 155 N CA 0.552 53.614 53.050 0.020 0.000 0.702 155 N CB -0.265 38.230 38.487 0.013 0.000 0.889 155 N HN 0.446 nan 8.380 nan 0.000 0.546 156 K N 0.631 121.044 120.400 0.022 0.000 2.435 156 K HA 0.445 4.765 4.320 -0.000 0.000 0.251 156 K C 0.350 176.953 176.600 0.006 0.000 0.954 156 K CA -0.472 55.826 56.287 0.018 0.000 0.820 156 K CB 1.699 34.217 32.500 0.029 0.000 1.292 156 K HN 0.294 nan 8.250 nan 0.000 0.436 157 G N 0.685 109.483 108.800 -0.003 0.000 2.406 157 G HA2 0.350 4.310 3.960 -0.000 0.000 0.251 157 G HA3 0.350 4.310 3.960 -0.000 0.000 0.251 157 G C -0.473 174.421 174.900 -0.010 0.000 1.271 157 G CA -0.291 44.796 45.100 -0.022 0.000 0.859 157 G HN 0.197 nan 8.290 nan 0.000 0.540 158 V N 3.540 123.438 119.914 -0.027 0.000 2.555 158 V HA 0.378 4.498 4.120 -0.000 0.000 0.302 158 V C -0.237 175.857 176.094 -0.000 0.000 1.038 158 V CA -1.047 61.252 62.300 -0.002 0.000 0.887 158 V CB 1.801 33.625 31.823 0.001 0.000 0.991 158 V HN 0.750 nan 8.190 nan 0.000 0.434 159 N N 4.389 123.101 118.700 0.020 0.000 2.321 159 N HA 0.570 5.310 4.740 -0.000 0.000 0.299 159 N C -1.169 174.358 175.510 0.028 0.000 1.048 159 N CA -0.507 52.558 53.050 0.026 0.000 0.836 159 N CB 2.698 41.204 38.487 0.032 0.000 1.269 159 N HN 0.462 nan 8.380 nan 0.000 0.486 160 L N 2.552 123.792 121.223 0.029 0.000 2.581 160 L HA 0.362 4.702 4.340 -0.000 0.000 0.241 160 L C -2.405 174.478 176.870 0.021 0.000 1.265 160 L CA -1.702 53.138 54.840 0.001 0.000 0.954 160 L CB 0.812 42.844 42.059 -0.044 0.000 1.269 160 L HN 0.156 nan 8.230 nan 0.000 0.475 161 P HA -0.046 nan 4.420 nan 0.000 0.261 161 P C 1.193 178.502 177.300 0.014 0.000 1.165 161 P CA 1.215 64.330 63.100 0.025 0.000 0.759 161 P CB 0.808 32.521 31.700 0.021 0.000 0.772 162 G N 1.409 110.216 108.800 0.013 0.000 2.302 162 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.263 162 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.263 162 G C 0.196 175.097 174.900 0.001 0.000 0.995 162 G CA 0.324 45.426 45.100 0.005 0.000 0.622 162 G HN 0.559 nan 8.290 nan 0.000 0.538 163 V N 1.550 121.466 119.914 0.003 0.000 2.546 163 V HA 0.555 4.675 4.120 -0.000 0.000 0.284 163 V C 0.809 176.911 176.094 0.014 0.000 1.050 163 V CA -0.007 62.293 62.300 -0.000 0.000 0.981 163 V CB 1.727 33.540 31.823 -0.016 0.000 0.990 163 V HN 0.312 nan 8.190 nan 0.000 0.474 164 S N 5.581 121.287 115.700 0.009 0.000 2.455 164 S HA 0.497 4.967 4.470 -0.000 0.000 0.278 164 S C -0.161 174.467 174.600 0.047 0.000 1.216 164 S CA -0.191 58.016 58.200 0.013 0.000 1.055 164 S CB -0.147 63.057 63.200 0.007 0.000 0.939 164 S HN 0.472 nan 8.310 nan 0.000 0.494 165 I N 2.060 122.675 120.570 0.074 0.000 2.412 165 I HA 0.393 4.563 4.170 -0.000 0.000 0.296 165 I C 0.775 176.959 176.117 0.113 0.000 0.987 165 I CA -0.820 60.543 61.300 0.104 0.000 1.180 165 I CB 1.637 39.686 38.000 0.081 0.000 1.340 165 I HN 0.647 nan 8.210 nan 0.000 0.455 166 A N 6.835 129.764 122.820 0.182 0.000 2.359 166 A HA 0.342 4.662 4.320 -0.000 0.000 0.240 166 A C 0.653 178.339 177.584 0.170 0.000 1.306 166 A CA -0.203 51.932 52.037 0.163 0.000 0.898 166 A CB -0.635 18.465 19.000 0.167 0.000 0.956 166 A HN 0.631 nan 8.150 nan 0.000 0.497 167 L N 1.211 122.483 121.223 0.082 0.000 2.499 167 L HA 0.135 4.475 4.340 -0.000 0.000 0.281 167 L C -1.627 175.290 176.870 0.079 0.000 1.234 167 L CA -1.334 53.531 54.840 0.042 0.000 0.839 167 L CB 0.122 42.145 42.059 -0.059 0.000 1.104 167 L HN 0.221 nan 8.230 nan 0.000 0.500 168 P HA 0.058 nan 4.420 nan 0.000 0.274 168 P C -0.041 177.290 177.300 0.053 0.000 1.246 168 P CA -0.351 62.780 63.100 0.052 0.000 0.795 168 P CB 0.809 32.533 31.700 0.039 0.000 1.006 169 A N 1.901 124.743 122.820 0.036 0.000 1.908 169 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 169 A C 1.197 178.796 177.584 0.025 0.000 1.181 169 A CA 1.386 53.443 52.037 0.034 0.000 0.627 169 A CB -0.858 18.149 19.000 0.012 0.000 0.818 169 A HN 0.519 nan 8.150 nan 0.000 0.445 170 L N -2.022 119.196 121.223 -0.007 0.000 2.341 170 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 170 L C -0.043 176.804 176.870 -0.038 0.000 1.009 170 L CA -0.799 54.018 54.840 -0.039 0.000 0.819 170 L CB 2.105 44.102 42.059 -0.104 0.000 1.323 170 L HN 0.224 nan 8.230 nan 0.000 0.425 171 A N 0.634 123.428 122.820 -0.043 0.000 2.320 171 A HA 0.465 4.785 4.320 -0.000 0.000 0.334 171 A C 0.556 178.118 177.584 -0.036 0.000 1.147 171 A CA -0.467 51.551 52.037 -0.030 0.000 0.820 171 A CB 1.070 20.053 19.000 -0.028 0.000 1.218 171 A HN 0.772 nan 8.150 nan 0.000 0.482 172 E N 1.016 121.206 120.200 -0.017 0.000 2.086 172 E HA -0.197 4.153 4.350 -0.000 0.000 0.200 172 E C 1.479 178.079 176.600 0.001 0.000 1.012 172 E CA 1.592 57.988 56.400 -0.007 0.000 0.812 172 E CB -0.099 29.607 29.700 0.009 0.000 0.743 172 E HN 0.690 nan 8.360 nan 0.000 0.453 173 K N 0.486 120.892 120.400 0.010 0.000 2.211 173 K HA -0.134 4.186 4.320 -0.000 0.000 0.203 173 K C 1.438 178.055 176.600 0.028 0.000 1.050 173 K CA 0.871 57.179 56.287 0.035 0.000 0.945 173 K CB 0.015 32.536 32.500 0.035 0.000 0.732 173 K HN 0.026 nan 8.250 nan 0.000 0.451 174 D N 0.878 121.269 120.400 -0.015 0.000 2.149 174 D HA -0.137 4.503 4.640 -0.000 0.000 0.198 174 D C 1.645 177.896 176.300 -0.081 0.000 0.990 174 D CA 1.253 55.226 54.000 -0.046 0.000 0.839 174 D CB 0.130 40.896 40.800 -0.057 0.000 0.948 174 D HN 0.198 nan 8.370 nan 0.000 0.460 175 K N 0.040 120.370 120.400 -0.117 0.000 2.103 175 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 175 K C 2.223 178.853 176.600 0.050 0.000 1.052 175 K CA 0.735 56.916 56.287 -0.178 0.000 0.945 175 K CB 0.004 32.337 32.500 -0.277 0.000 0.722 175 K HN 0.183 nan 8.250 nan 0.000 0.443 176 Q N 0.736 120.563 119.800 0.045 0.000 2.119 176 Q HA -0.137 4.203 4.340 -0.000 0.000 0.201 176 Q C 1.427 177.439 176.000 0.019 0.000 0.972 176 Q CA 1.216 57.051 55.803 0.054 0.000 0.847 176 Q CB 0.040 28.857 28.738 0.132 0.000 0.903 176 Q HN 0.246 nan 8.270 nan 0.000 0.433 177 D N 0.718 121.143 120.400 0.042 0.000 2.144 177 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 177 D C 1.822 178.025 176.300 -0.161 0.000 0.984 177 D CA 0.948 54.887 54.000 -0.102 0.000 0.834 177 D CB 0.007 40.669 40.800 -0.229 0.000 0.955 177 D HN 0.237 nan 8.370 nan 0.000 0.465 178 L N 0.296 121.477 121.223 -0.071 0.000 2.156 178 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 178 L C 2.405 179.236 176.870 -0.066 0.000 1.095 178 L CA 0.382 55.203 54.840 -0.030 0.000 0.770 178 L CB -0.183 41.944 42.059 0.113 0.000 0.914 178 L HN 0.002 nan 8.230 nan 0.000 0.439 179 I N -0.574 119.924 120.570 -0.120 0.000 2.286 179 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 179 I C 2.487 178.513 176.117 -0.153 0.000 1.115 179 I CA 1.423 62.563 61.300 -0.267 0.000 1.392 179 I CB -0.269 37.503 38.000 -0.379 0.000 1.065 179 I HN 0.161 nan 8.210 nan 0.000 0.418 180 F N 1.807 121.575 119.950 -0.302 0.000 2.075 180 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 180 F C 2.379 178.069 175.800 -0.184 0.000 1.113 180 F CA 1.673 59.488 58.000 -0.309 0.000 1.218 180 F CB -0.929 37.798 39.000 -0.455 0.000 0.984 180 F HN 0.000 nan 8.300 nan 0.000 0.472 181 G N -0.018 108.760 108.800 -0.036 0.000 2.513 181 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.219 181 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.219 181 G C 1.693 176.488 174.900 -0.176 0.000 1.160 181 G CA 1.367 46.391 45.100 -0.127 0.000 0.767 181 G HN 0.556 nan 8.290 nan 0.000 0.571 182 C N 0.344 119.561 119.300 -0.139 0.000 2.436 182 C HA 0.022 4.482 4.460 -0.000 0.000 0.277 182 C C 2.797 177.695 174.990 -0.152 0.000 1.241 182 C CA 1.105 60.055 59.018 -0.113 0.000 1.721 182 C CB -0.992 26.711 27.740 -0.061 0.000 2.043 182 C HN 0.610 nan 8.230 nan 0.000 0.472 183 E N 0.281 120.363 120.200 -0.197 0.000 2.118 183 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 183 E C 2.137 178.592 176.600 -0.243 0.000 0.992 183 E CA 0.973 57.256 56.400 -0.196 0.000 0.804 183 E CB -0.188 29.386 29.700 -0.211 0.000 0.741 183 E HN 0.627 nan 8.360 nan 0.000 0.458 184 Q N -0.655 118.919 119.800 -0.376 0.000 2.432 184 Q HA 0.038 4.378 4.340 -0.000 0.000 0.205 184 Q C 1.070 176.949 176.000 -0.202 0.000 0.945 184 Q CA 0.818 56.414 55.803 -0.345 0.000 0.924 184 Q CB 0.803 29.206 28.738 -0.559 0.000 1.016 184 Q HN 0.406 nan 8.270 nan 0.000 0.503 185 G N 1.692 110.392 108.800 -0.166 0.000 2.246 185 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.273 185 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.273 185 G C 0.434 175.272 174.900 -0.103 0.000 1.055 185 G CA 0.352 45.384 45.100 -0.112 0.000 0.851 185 G HN 0.306 nan 8.290 nan 0.000 0.500 186 V N -3.001 116.855 119.914 -0.097 0.000 3.139 186 V HA 0.352 4.472 4.120 -0.000 0.000 0.307 186 V C 1.265 177.309 176.094 -0.085 0.000 1.095 186 V CA 0.594 62.859 62.300 -0.058 0.000 1.160 186 V CB 0.892 32.710 31.823 -0.008 0.000 1.003 186 V HN 0.187 nan 8.190 nan 0.000 0.489 187 D N 0.504 120.839 120.400 -0.108 0.000 2.213 187 D HA 0.155 4.795 4.640 -0.000 0.000 0.205 187 D C 0.024 176.056 176.300 -0.448 0.000 0.961 187 D CA 1.453 55.264 54.000 -0.315 0.000 0.853 187 D CB 0.233 40.808 40.800 -0.376 0.000 0.967 187 D HN 0.535 nan 8.370 nan 0.000 0.496 188 F N -0.177 119.790 119.950 0.029 0.000 2.599 188 F HA 0.387 4.914 4.527 -0.000 0.000 0.311 188 F C -0.264 175.564 175.800 0.047 0.000 1.076 188 F CA -1.061 56.977 58.000 0.064 0.000 0.937 188 F CB 2.133 41.175 39.000 0.070 0.000 1.282 188 F HN -0.450 nan 8.300 nan 0.000 0.460 189 V N 2.001 122.068 119.914 0.256 0.000 2.444 189 V HA 0.740 4.860 4.120 -0.000 0.000 0.294 189 V C -0.587 175.584 176.094 0.128 0.000 1.022 189 V CA -0.923 61.462 62.300 0.140 0.000 0.850 189 V CB 1.565 33.441 31.823 0.088 0.000 0.992 189 V HN 0.873 nan 8.190 nan 0.000 0.426 190 A N 4.369 127.246 122.820 0.095 0.000 2.252 190 A HA 0.837 5.157 4.320 -0.000 0.000 0.309 190 A C 0.322 177.940 177.584 0.057 0.000 1.285 190 A CA -0.175 51.902 52.037 0.067 0.000 0.900 190 A CB 0.627 19.657 19.000 0.051 0.000 1.157 190 A HN 1.233 nan 8.150 nan 0.000 0.536 191 A N 2.982 125.833 122.820 0.052 0.000 2.301 191 A HA 0.636 4.956 4.320 -0.000 0.000 0.298 191 A C 0.591 178.210 177.584 0.058 0.000 1.185 191 A CA -0.290 51.775 52.037 0.047 0.000 0.830 191 A CB 0.228 19.252 19.000 0.038 0.000 1.112 191 A HN 0.796 nan 8.150 nan 0.000 0.508 192 S N 0.812 116.555 115.700 0.072 0.000 2.632 192 S HA 0.473 4.943 4.470 -0.000 0.000 0.271 192 S C -0.031 174.685 174.600 0.193 0.000 1.260 192 S CA -0.176 58.091 58.200 0.112 0.000 1.010 192 S CB 0.046 63.305 63.200 0.097 0.000 0.965 192 S HN 1.131 nan 8.310 nan 0.000 0.534 193 F N 1.339 121.285 119.950 -0.006 0.000 2.738 193 F HA -0.161 4.366 4.527 -0.000 0.000 0.232 193 F C -0.650 175.145 175.800 -0.009 0.000 1.025 193 F CA -0.118 57.875 58.000 -0.012 0.000 0.895 193 F CB -0.989 37.994 39.000 -0.028 0.000 0.839 193 F HN 0.322 nan 8.300 nan 0.000 0.850 194 I N 2.989 123.509 120.570 -0.084 0.000 2.395 194 I HA 0.166 4.336 4.170 -0.000 0.000 0.289 194 I C 1.254 177.240 176.117 -0.217 0.000 1.023 194 I CA 0.087 61.325 61.300 -0.104 0.000 1.350 194 I CB 1.429 39.404 38.000 -0.041 0.000 1.409 194 I HN 0.377 nan 8.210 nan 0.000 0.507 195 R N 4.237 124.615 120.500 -0.203 0.000 2.453 195 R HA 0.195 4.535 4.340 -0.000 0.000 0.233 195 R C -0.414 175.818 176.300 -0.114 0.000 0.895 195 R CA 0.085 56.056 56.100 -0.215 0.000 1.028 195 R CB 0.714 30.849 30.300 -0.274 0.000 1.255 195 R HN 0.630 nan 8.270 nan 0.000 0.571 196 K N -0.798 119.552 120.400 -0.084 0.000 2.597 196 K HA 0.223 4.543 4.320 -0.000 0.000 0.282 196 K C -0.139 176.428 176.600 -0.054 0.000 0.975 196 K CA -0.954 55.296 56.287 -0.061 0.000 0.867 196 K CB 1.429 33.900 32.500 -0.048 0.000 1.465 196 K HN -0.136 nan 8.250 nan 0.000 0.417 197 R N 0.671 121.139 120.500 -0.054 0.000 2.117 197 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 197 R C 1.637 177.916 176.300 -0.035 0.000 1.143 197 R CA 2.633 58.701 56.100 -0.054 0.000 0.968 197 R CB -0.608 29.659 30.300 -0.055 0.000 0.863 197 R HN 0.758 nan 8.270 nan 0.000 0.444 198 S N 0.824 116.508 115.700 -0.027 0.000 2.380 198 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 198 S C 1.346 175.940 174.600 -0.009 0.000 1.043 198 S CA 1.671 59.862 58.200 -0.014 0.000 1.038 198 S CB -0.426 62.769 63.200 -0.009 0.000 0.872 198 S HN 0.489 nan 8.310 nan 0.000 0.456 199 D N 1.423 121.814 120.400 -0.015 0.000 2.097 199 D HA -0.064 4.576 4.640 -0.000 0.000 0.195 199 D C 2.258 178.555 176.300 -0.005 0.000 0.989 199 D CA 1.452 55.447 54.000 -0.008 0.000 0.827 199 D CB -0.881 39.910 40.800 -0.016 0.000 0.966 199 D HN 0.396 nan 8.370 nan 0.000 0.456 200 V N 2.098 122.003 119.914 -0.015 0.000 2.250 200 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 200 V C 2.591 178.686 176.094 0.002 0.000 1.060 200 V CA 1.340 63.634 62.300 -0.011 0.000 1.030 200 V CB -0.501 31.304 31.823 -0.031 0.000 0.643 200 V HN 0.230 nan 8.190 nan 0.000 0.445 201 I N -0.089 120.479 120.570 -0.003 0.000 2.335 201 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 201 I C 2.520 178.651 176.117 0.023 0.000 1.129 201 I CA 1.658 62.962 61.300 0.006 0.000 1.402 201 I CB -0.818 37.182 38.000 -0.000 0.000 1.069 201 I HN 0.520 nan 8.210 nan 0.000 0.424 202 E N 1.135 121.349 120.200 0.022 0.000 2.072 202 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 202 E C 2.344 178.981 176.600 0.062 0.000 0.985 202 E CA 1.062 57.484 56.400 0.037 0.000 0.801 202 E CB -0.011 29.703 29.700 0.023 0.000 0.750 202 E HN 0.484 nan 8.360 nan 0.000 0.452 203 I N 0.768 121.366 120.570 0.046 0.000 2.286 203 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 203 I C 2.662 178.833 176.117 0.090 0.000 1.115 203 I CA 0.999 62.338 61.300 0.066 0.000 1.392 203 I CB -0.257 37.768 38.000 0.042 0.000 1.065 203 I HN 0.020 nan 8.210 nan 0.000 0.418 204 R N 1.215 121.750 120.500 0.059 0.000 2.115 204 R HA -0.153 4.187 4.340 -0.000 0.000 0.230 204 R C 2.093 178.429 176.300 0.060 0.000 1.111 204 R CA 1.285 57.416 56.100 0.052 0.000 0.976 204 R CB -0.021 30.295 30.300 0.027 0.000 0.870 204 R HN 0.363 nan 8.270 nan 0.000 0.445 205 E N -1.567 118.676 120.200 0.070 0.000 2.152 205 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 205 E C 1.540 178.196 176.600 0.093 0.000 0.983 205 E CA 1.187 57.626 56.400 0.065 0.000 0.818 205 E CB -0.029 29.707 29.700 0.061 0.000 0.758 205 E HN 0.500 nan 8.360 nan 0.000 0.467 206 H N 0.354 119.456 119.070 0.054 0.000 2.403 206 H HA 0.037 4.593 4.556 -0.000 0.000 0.298 206 H C 1.910 177.325 175.328 0.145 0.000 1.059 206 H CA 1.035 57.146 56.048 0.105 0.000 1.363 206 H CB 0.129 29.934 29.762 0.072 0.000 1.410 206 H HN 0.019 nan 8.280 nan 0.000 0.528 207 L N 0.088 121.379 121.223 0.113 0.000 2.109 207 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 207 L C 2.516 179.397 176.870 0.019 0.000 1.086 207 L CA 1.395 56.269 54.840 0.056 0.000 0.760 207 L CB -0.249 41.845 42.059 0.059 0.000 0.910 207 L HN 0.231 nan 8.230 nan 0.000 0.437 208 K N 0.708 121.113 120.400 0.009 0.000 2.103 208 K HA -0.101 4.219 4.320 -0.000 0.000 0.204 208 K C 2.101 178.658 176.600 -0.071 0.000 1.052 208 K CA 1.064 57.338 56.287 -0.021 0.000 0.945 208 K CB -0.063 32.429 32.500 -0.013 0.000 0.722 208 K HN 0.211 nan 8.250 nan 0.000 0.443 209 A N 0.203 122.961 122.820 -0.104 0.000 2.076 209 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 209 A C 0.594 177.905 177.584 -0.455 0.000 1.160 209 A CA 1.505 53.380 52.037 -0.270 0.000 0.653 209 A CB -0.529 18.290 19.000 -0.301 0.000 0.801 209 A HN 0.530 nan 8.150 nan 0.000 0.455 210 H N -2.515 116.467 119.070 -0.147 0.000 2.549 210 H HA 0.413 4.969 4.556 -0.000 0.000 0.253 210 H C 1.166 176.435 175.328 -0.099 0.000 1.170 210 H CA 0.211 56.179 56.048 -0.133 0.000 0.943 210 H CB 0.313 29.966 29.762 -0.183 0.000 1.849 210 H HN 0.468 nan 8.280 nan 0.000 0.603 211 G N 0.423 109.208 108.800 -0.024 0.000 2.155 211 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 211 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 211 G C 1.169 176.057 174.900 -0.021 0.000 0.983 211 G CA 0.373 45.457 45.100 -0.027 0.000 0.676 211 G HN 0.639 nan 8.290 nan 0.000 0.528 212 G N 0.078 108.874 108.800 -0.007 0.000 3.518 212 G HA2 0.465 4.425 3.960 -0.000 0.000 0.273 212 G HA3 0.465 4.425 3.960 -0.000 0.000 0.273 212 G C 0.953 175.850 174.900 -0.005 0.000 1.199 212 G CA 0.712 45.804 45.100 -0.012 0.000 0.899 212 G HN 0.723 nan 8.290 nan 0.000 0.533 213 E N -0.010 120.185 120.200 -0.008 0.000 2.396 213 E HA -0.155 4.195 4.350 -0.000 0.000 0.200 213 E C 1.175 177.779 176.600 0.006 0.000 1.023 213 E CA 0.927 57.327 56.400 -0.001 0.000 0.857 213 E CB -0.136 29.558 29.700 -0.011 0.000 0.775 213 E HN 0.459 nan 8.360 nan 0.000 0.525 214 N N 0.159 118.852 118.700 -0.011 0.000 2.203 214 N HA 0.207 4.947 4.740 -0.000 0.000 0.207 214 N C -0.538 174.948 175.510 -0.040 0.000 1.130 214 N CA -0.224 52.813 53.050 -0.020 0.000 0.861 214 N CB 0.549 39.002 38.487 -0.057 0.000 1.005 214 N HN 0.070 nan 8.380 nan 0.000 0.507 215 I N 0.766 121.331 120.570 -0.008 0.000 2.395 215 I HA 0.054 4.224 4.170 -0.000 0.000 0.289 215 I C 0.414 176.603 176.117 0.121 0.000 1.023 215 I CA -0.405 60.884 61.300 -0.018 0.000 1.350 215 I CB 0.608 38.604 38.000 -0.008 0.000 1.409 215 I HN 0.136 nan 8.210 nan 0.000 0.507 216 H N 6.287 125.327 119.070 -0.050 0.000 2.722 216 H HA 0.345 4.901 4.556 -0.000 0.000 0.328 216 H C -0.378 175.066 175.328 0.194 0.000 1.067 216 H CA -0.531 55.575 56.048 0.096 0.000 1.447 216 H CB 1.042 30.935 29.762 0.218 0.000 1.469 216 H HN 0.393 nan 8.280 nan 0.000 0.544 217 I N 5.124 125.805 120.570 0.184 0.000 2.336 217 I HA 0.073 4.243 4.170 -0.000 0.000 0.292 217 I C -0.202 175.976 176.117 0.102 0.000 0.991 217 I CA -0.543 60.838 61.300 0.135 0.000 1.227 217 I CB 1.203 39.242 38.000 0.065 0.000 1.366 217 I HN 0.385 nan 8.210 nan 0.000 0.466 218 I N 5.359 125.990 120.570 0.102 0.000 2.306 218 I HA 0.218 4.388 4.170 -0.000 0.000 0.288 218 I C 0.223 176.360 176.117 0.033 0.000 1.036 218 I CA -0.150 61.176 61.300 0.044 0.000 1.221 218 I CB 0.544 38.544 38.000 0.000 0.000 1.385 218 I HN 0.457 nan 8.210 nan 0.000 0.472 219 S N 6.830 122.543 115.700 0.022 0.000 2.523 219 S HA 0.262 4.732 4.470 -0.000 0.000 0.275 219 S C 0.320 174.946 174.600 0.043 0.000 1.281 219 S CA -0.705 57.509 58.200 0.024 0.000 1.050 219 S CB 0.684 63.884 63.200 -0.001 0.000 0.937 219 S HN 0.372 nan 8.310 nan 0.000 0.492 220 K N 3.104 123.531 120.400 0.045 0.000 2.284 220 K HA 0.295 4.615 4.320 -0.000 0.000 0.287 220 K C -0.575 176.054 176.600 0.049 0.000 1.081 220 K CA -0.428 55.891 56.287 0.053 0.000 0.910 220 K CB 0.428 32.966 32.500 0.063 0.000 1.088 220 K HN 0.422 nan 8.250 nan 0.000 0.478 221 I N 3.081 123.686 120.570 0.058 0.000 2.352 221 I HA 0.083 4.253 4.170 -0.000 0.000 0.290 221 I C 0.801 176.934 176.117 0.026 0.000 1.036 221 I CA 0.261 61.587 61.300 0.042 0.000 1.336 221 I CB 0.831 38.884 38.000 0.088 0.000 1.407 221 I HN 0.756 nan 8.210 nan 0.000 0.497 222 E N 3.934 124.137 120.200 0.005 0.000 2.641 222 E HA 0.080 4.430 4.350 -0.000 0.000 0.224 222 E C -0.320 176.313 176.600 0.055 0.000 0.951 222 E CA -0.086 56.352 56.400 0.064 0.000 1.102 222 E CB 0.739 30.547 29.700 0.180 0.000 1.091 222 E HN 0.791 nan 8.360 nan 0.000 0.507 223 N N -0.689 117.995 118.700 -0.027 0.000 3.046 223 N HA -0.053 4.687 4.740 -0.000 0.000 0.243 223 N C 0.320 175.797 175.510 -0.055 0.000 1.452 223 N CA -0.392 52.643 53.050 -0.026 0.000 0.882 223 N CB 1.089 39.560 38.487 -0.027 0.000 1.425 223 N HN -0.236 nan 8.380 nan 0.000 0.517 224 Q N 0.529 120.314 119.800 -0.025 0.000 2.152 224 Q HA -0.149 4.191 4.340 -0.000 0.000 0.206 224 Q C 1.402 177.379 176.000 -0.038 0.000 0.985 224 Q CA 2.409 58.200 55.803 -0.021 0.000 0.863 224 Q CB -0.184 28.550 28.738 -0.007 0.000 0.904 224 Q HN 0.765 nan 8.270 nan 0.000 0.422 225 E N -1.436 118.723 120.200 -0.069 0.000 2.051 225 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 225 E C 1.818 178.377 176.600 -0.068 0.000 0.991 225 E CA 1.087 57.443 56.400 -0.073 0.000 0.799 225 E CB -0.566 29.067 29.700 -0.112 0.000 0.748 225 E HN 0.556 nan 8.360 nan 0.000 0.449 226 G N 1.443 110.176 108.800 -0.113 0.000 2.491 226 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 226 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 226 G C 1.486 176.407 174.900 0.034 0.000 1.180 226 G CA 0.982 46.041 45.100 -0.069 0.000 0.774 226 G HN 0.268 nan 8.290 nan 0.000 0.562 227 L N 1.425 122.660 121.223 0.019 0.000 2.012 227 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 227 L C 2.404 179.322 176.870 0.080 0.000 1.073 227 L CA 1.881 56.750 54.840 0.049 0.000 0.748 227 L CB -0.797 41.261 42.059 -0.001 0.000 0.891 227 L HN 0.147 nan 8.230 nan 0.000 0.431 228 N N -0.046 118.677 118.700 0.039 0.000 2.223 228 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 228 N C 1.125 176.667 175.510 0.053 0.000 1.016 228 N CA 1.207 54.280 53.050 0.038 0.000 0.863 228 N CB -0.467 38.026 38.487 0.011 0.000 0.983 228 N HN 0.439 nan 8.380 nan 0.000 0.429 229 N N 0.182 118.909 118.700 0.044 0.000 2.270 229 N HA 0.021 4.761 4.740 -0.000 0.000 0.198 229 N C 1.064 176.583 175.510 0.015 0.000 1.117 229 N CA -0.286 52.773 53.050 0.015 0.000 0.845 229 N CB -0.196 38.275 38.487 -0.026 0.000 0.980 229 N HN 0.106 nan 8.380 nan 0.000 0.486 230 F N 2.712 122.642 119.950 -0.034 0.000 2.050 230 F HA -0.358 4.169 4.527 -0.000 0.000 0.294 230 F C 1.623 177.409 175.800 -0.023 0.000 1.113 230 F CA 2.003 59.987 58.000 -0.028 0.000 1.225 230 F CB -0.322 38.667 39.000 -0.019 0.000 0.953 230 F HN 0.009 nan 8.300 nan 0.000 0.501 231 D N -0.009 120.272 120.400 -0.200 0.000 2.137 231 D HA -0.270 4.370 4.640 -0.000 0.000 0.189 231 D C 2.207 178.376 176.300 -0.218 0.000 0.998 231 D CA 2.089 55.976 54.000 -0.189 0.000 0.839 231 D CB -0.903 39.889 40.800 -0.012 0.000 0.962 231 D HN 0.725 nan 8.370 nan 0.000 0.446 232 E N 0.401 120.517 120.200 -0.139 0.000 2.333 232 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 232 E C 2.100 178.596 176.600 -0.173 0.000 1.007 232 E CA 0.580 56.904 56.400 -0.127 0.000 0.845 232 E CB -0.320 29.335 29.700 -0.076 0.000 0.766 232 E HN 0.317 nan 8.360 nan 0.000 0.507 233 I N 0.685 121.108 120.570 -0.245 0.000 2.193 233 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 233 I C 2.454 178.399 176.117 -0.287 0.000 1.084 233 I CA 0.598 61.757 61.300 -0.235 0.000 1.365 233 I CB -0.263 37.614 38.000 -0.206 0.000 1.064 233 I HN 0.171 nan 8.210 nan 0.000 0.410 234 L N 0.990 121.906 121.223 -0.510 0.000 2.043 234 L HA -0.266 4.073 4.340 -0.000 0.000 0.212 234 L C 2.479 179.206 176.870 -0.238 0.000 1.075 234 L CA 1.988 56.556 54.840 -0.453 0.000 0.752 234 L CB -0.890 40.781 42.059 -0.647 0.000 0.891 234 L HN 0.305 nan 8.230 nan 0.000 0.432 235 E N -0.178 119.897 120.200 -0.209 0.000 2.110 235 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 235 E C 1.852 178.389 176.600 -0.105 0.000 0.988 235 E CA 1.430 57.753 56.400 -0.129 0.000 0.804 235 E CB -0.028 29.610 29.700 -0.103 0.000 0.745 235 E HN 0.624 nan 8.360 nan 0.000 0.458 236 A N 0.299 123.051 122.820 -0.113 0.000 2.147 236 A HA 0.138 4.458 4.320 -0.000 0.000 0.211 236 A C 1.410 178.949 177.584 -0.075 0.000 1.160 236 A CA 0.139 52.129 52.037 -0.079 0.000 0.781 236 A CB 0.167 19.127 19.000 -0.067 0.000 0.842 236 A HN 0.164 nan 8.150 nan 0.000 0.475 237 S N 0.075 115.719 115.700 -0.093 0.000 2.686 237 S HA 0.261 4.731 4.470 -0.000 0.000 0.270 237 S C 0.026 174.573 174.600 -0.088 0.000 1.194 237 S CA -0.413 57.743 58.200 -0.073 0.000 0.990 237 S CB 0.612 63.769 63.200 -0.071 0.000 1.029 237 S HN 0.414 nan 8.310 nan 0.000 0.560 238 D N 0.124 120.468 120.400 -0.094 0.000 2.369 238 D HA 0.310 4.950 4.640 -0.000 0.000 0.211 238 D C 0.655 176.907 176.300 -0.081 0.000 1.077 238 D CA 0.308 54.205 54.000 -0.171 0.000 0.842 238 D CB 0.720 41.266 40.800 -0.423 0.000 0.947 238 D HN 0.615 nan 8.370 nan 0.000 0.509 239 G N 0.224 109.001 108.800 -0.038 0.000 2.342 239 G HA2 0.415 4.375 3.960 -0.000 0.000 0.297 239 G HA3 0.415 4.375 3.960 -0.000 0.000 0.297 239 G C -1.820 173.084 174.900 0.007 0.000 1.313 239 G CA -0.598 44.495 45.100 -0.011 0.000 0.830 239 G HN -0.067 nan 8.290 nan 0.000 0.506 240 I N 0.040 120.628 120.570 0.030 0.000 3.074 240 I HA 0.612 4.782 4.170 -0.000 0.000 0.310 240 I C -0.631 175.509 176.117 0.037 0.000 1.153 240 I CA -0.818 60.522 61.300 0.067 0.000 0.993 240 I CB 2.263 40.370 38.000 0.179 0.000 1.237 240 I HN 0.663 nan 8.210 nan 0.000 0.443 241 M N 4.075 123.703 119.600 0.046 0.000 2.204 241 M HA 0.459 4.939 4.480 -0.000 0.000 0.293 241 M C -1.767 174.554 176.300 0.036 0.000 0.994 241 M CA -0.654 54.660 55.300 0.023 0.000 0.925 241 M CB 1.666 34.275 32.600 0.014 0.000 1.577 241 M HN 0.251 nan 8.290 nan 0.000 0.439 242 V N 4.607 124.534 119.914 0.021 0.000 2.368 242 V HA 0.439 4.559 4.120 -0.000 0.000 0.266 242 V C 0.488 176.586 176.094 0.008 0.000 1.045 242 V CA -0.511 61.793 62.300 0.007 0.000 0.899 242 V CB 0.733 32.546 31.823 -0.016 0.000 1.006 242 V HN 0.885 nan 8.190 nan 0.000 0.470 243 A N 5.310 128.140 122.820 0.016 0.000 3.016 243 A HA 0.409 4.729 4.320 -0.000 0.000 0.303 243 A C 1.443 179.035 177.584 0.013 0.000 1.507 243 A CA -0.530 51.520 52.037 0.021 0.000 1.196 243 A CB -0.307 18.717 19.000 0.041 0.000 1.169 243 A HN 0.909 nan 8.150 nan 0.000 0.544 244 R N 1.175 121.676 120.500 0.001 0.000 2.134 244 R HA -0.226 4.114 4.340 -0.000 0.000 0.248 244 R C 2.266 178.567 176.300 0.002 0.000 1.143 244 R CA 2.170 58.266 56.100 -0.007 0.000 0.957 244 R CB -0.642 29.648 30.300 -0.017 0.000 0.867 244 R HN 0.647 nan 8.270 nan 0.000 0.441 245 G N 1.258 110.063 108.800 0.009 0.000 2.587 245 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 245 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 245 G C 0.746 175.658 174.900 0.021 0.000 1.240 245 G CA 1.575 46.683 45.100 0.013 0.000 0.794 245 G HN 0.337 nan 8.290 nan 0.000 0.580 246 D N 0.384 120.804 120.400 0.033 0.000 2.149 246 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 246 D C 2.460 178.787 176.300 0.044 0.000 1.001 246 D CA 0.840 54.870 54.000 0.050 0.000 0.849 246 D CB -0.281 40.565 40.800 0.076 0.000 0.939 246 D HN 0.299 nan 8.370 nan 0.000 0.449 247 L N 0.250 121.491 121.223 0.030 0.000 2.083 247 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 247 L C 2.492 179.371 176.870 0.015 0.000 1.083 247 L CA 1.333 56.184 54.840 0.019 0.000 0.752 247 L CB -0.541 41.519 42.059 0.001 0.000 0.899 247 L HN 0.184 nan 8.230 nan 0.000 0.433 248 G N -1.530 107.277 108.800 0.011 0.000 2.598 248 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.215 248 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.215 248 G C 1.388 176.296 174.900 0.014 0.000 1.131 248 G CA 0.422 45.526 45.100 0.007 0.000 0.785 248 G HN 0.238 nan 8.290 nan 0.000 0.539 249 V N -0.458 119.469 119.914 0.022 0.000 3.431 249 V HA 0.122 4.242 4.120 -0.000 0.000 0.253 249 V C 2.120 178.232 176.094 0.030 0.000 1.184 249 V CA 0.718 63.033 62.300 0.025 0.000 1.104 249 V CB 0.565 32.406 31.823 0.030 0.000 0.799 249 V HN 0.231 nan 8.190 nan 0.000 0.462 250 E N 0.233 120.454 120.200 0.034 0.000 2.364 250 E HA 0.271 4.621 4.350 -0.000 0.000 0.196 250 E C 0.553 177.168 176.600 0.025 0.000 0.990 250 E CA 0.356 56.778 56.400 0.037 0.000 0.886 250 E CB 1.089 30.820 29.700 0.051 0.000 0.866 250 E HN 0.668 nan 8.360 nan 0.000 0.493 251 I N -2.264 118.318 120.570 0.020 0.000 3.074 251 I HA 0.506 4.676 4.170 -0.000 0.000 0.310 251 I C -2.816 173.310 176.117 0.016 0.000 1.153 251 I CA -2.882 58.428 61.300 0.016 0.000 0.993 251 I CB 2.187 40.195 38.000 0.013 0.000 1.237 251 I HN -0.357 nan 8.210 nan 0.000 0.443 252 P HA 0.024 nan 4.420 nan 0.000 0.261 252 P C 1.207 178.518 177.300 0.018 0.000 1.183 252 P CA -0.235 62.876 63.100 0.020 0.000 0.761 252 P CB 0.702 32.417 31.700 0.025 0.000 0.785 253 V N 3.147 123.068 119.914 0.011 0.000 2.324 253 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 253 V C 1.958 178.052 176.094 -0.001 0.000 1.060 253 V CA 2.146 64.447 62.300 0.001 0.000 1.042 253 V CB -1.449 30.372 31.823 -0.003 0.000 0.650 253 V HN 0.597 nan 8.190 nan 0.000 0.450 254 E N 0.694 120.904 120.200 0.017 0.000 2.401 254 E HA -0.235 4.114 4.350 -0.000 0.000 0.199 254 E C 1.679 178.321 176.600 0.071 0.000 1.023 254 E CA 1.474 57.893 56.400 0.031 0.000 0.859 254 E CB -0.390 29.349 29.700 0.065 0.000 0.780 254 E HN 0.735 nan 8.360 nan 0.000 0.523 255 E N 0.801 121.044 120.200 0.073 0.000 2.400 255 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 255 E C 2.233 178.869 176.600 0.060 0.000 1.012 255 E CA 0.361 56.832 56.400 0.119 0.000 0.875 255 E CB 0.310 30.057 29.700 0.078 0.000 0.859 255 E HN 0.175 nan 8.360 nan 0.000 0.498 256 V N 2.126 122.038 119.914 -0.004 0.000 2.343 256 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 256 V C 2.460 178.507 176.094 -0.079 0.000 1.051 256 V CA 1.718 63.998 62.300 -0.032 0.000 1.036 256 V CB -0.778 31.023 31.823 -0.036 0.000 0.654 256 V HN 0.288 nan 8.190 nan 0.000 0.451 257 I N -2.721 117.743 120.570 -0.175 0.000 2.394 257 I HA -0.133 4.037 4.170 -0.000 0.000 0.251 257 I C 2.332 178.316 176.117 -0.221 0.000 1.136 257 I CA 1.651 62.800 61.300 -0.251 0.000 1.425 257 I CB -0.753 37.005 38.000 -0.403 0.000 1.079 257 I HN 0.110 nan 8.210 nan 0.000 0.425 258 F N 2.098 122.021 119.950 -0.045 0.000 2.234 258 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 258 F C 2.737 178.491 175.800 -0.077 0.000 1.087 258 F CA 0.940 58.908 58.000 -0.052 0.000 1.340 258 F CB -0.918 38.057 39.000 -0.042 0.000 1.031 258 F HN 0.084 nan 8.300 nan 0.000 0.500 259 A N -0.481 122.377 122.820 0.062 0.000 1.873 259 A HA -0.246 4.074 4.320 -0.000 0.000 0.215 259 A C 2.238 179.764 177.584 -0.096 0.000 1.186 259 A CA 1.656 53.669 52.037 -0.039 0.000 0.616 259 A CB -0.964 18.009 19.000 -0.044 0.000 0.823 259 A HN 0.431 nan 8.150 nan 0.000 0.442 260 Q N -0.002 119.754 119.800 -0.074 0.000 2.061 260 Q HA -0.262 4.078 4.340 -0.000 0.000 0.204 260 Q C 1.975 177.934 176.000 -0.068 0.000 0.984 260 Q CA 2.121 57.876 55.803 -0.080 0.000 0.846 260 Q CB -0.185 28.511 28.738 -0.069 0.000 0.902 260 Q HN 0.693 nan 8.270 nan 0.000 0.421 261 K N 0.167 120.547 120.400 -0.033 0.000 1.987 261 K HA -0.217 4.103 4.320 -0.000 0.000 0.216 261 K C 2.268 178.857 176.600 -0.017 0.000 1.051 261 K CA 1.846 58.133 56.287 -0.000 0.000 0.942 261 K CB -0.395 32.142 32.500 0.062 0.000 0.722 261 K HN 0.325 nan 8.250 nan 0.000 0.444 262 M N 0.775 120.359 119.600 -0.027 0.000 2.088 262 M HA -0.262 4.218 4.480 -0.000 0.000 0.256 262 M C 2.154 178.371 176.300 -0.139 0.000 1.071 262 M CA 1.910 57.170 55.300 -0.068 0.000 1.097 262 M CB -0.251 32.291 32.600 -0.097 0.000 1.315 262 M HN 0.265 nan 8.290 nan 0.000 0.406 263 M N -0.467 118.961 119.600 -0.287 0.000 2.132 263 M HA -0.206 4.274 4.480 -0.000 0.000 0.263 263 M C 2.105 178.350 176.300 -0.092 0.000 1.065 263 M CA 1.430 56.466 55.300 -0.440 0.000 1.122 263 M CB -0.447 31.725 32.600 -0.713 0.000 1.365 263 M HN 0.298 nan 8.290 nan 0.000 0.411 264 I N 0.191 120.733 120.570 -0.047 0.000 2.163 264 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 264 I C 2.700 178.850 176.117 0.056 0.000 1.085 264 I CA 1.547 62.862 61.300 0.024 0.000 1.347 264 I CB -0.571 37.445 38.000 0.027 0.000 1.044 264 I HN 0.417 nan 8.210 nan 0.000 0.408 265 E N 2.092 122.317 120.200 0.041 0.000 2.038 265 E HA -0.289 4.061 4.350 -0.000 0.000 0.195 265 E C 2.024 178.670 176.600 0.077 0.000 1.000 265 E CA 1.662 58.098 56.400 0.060 0.000 0.803 265 E CB -0.128 29.597 29.700 0.042 0.000 0.750 265 E HN 0.476 nan 8.360 nan 0.000 0.448 266 K N 0.017 120.476 120.400 0.097 0.000 2.209 266 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 266 K C 2.414 179.102 176.600 0.146 0.000 1.048 266 K CA 1.271 57.649 56.287 0.152 0.000 0.940 266 K CB -0.225 32.440 32.500 0.277 0.000 0.729 266 K HN 0.225 nan 8.250 nan 0.000 0.451 267 C N 0.903 120.295 119.300 0.154 0.000 2.432 267 C HA -0.081 4.379 4.460 -0.000 0.000 0.277 267 C C 2.515 177.530 174.990 0.042 0.000 1.249 267 C CA 0.479 59.558 59.018 0.102 0.000 1.725 267 C CB -0.652 27.147 27.740 0.099 0.000 2.028 267 C HN 0.393 nan 8.230 nan 0.000 0.477 268 I N 0.569 121.166 120.570 0.044 0.000 2.179 268 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 268 I C 2.706 178.805 176.117 -0.029 0.000 1.088 268 I CA 1.609 62.908 61.300 -0.002 0.000 1.357 268 I CB -0.462 37.570 38.000 0.054 0.000 1.051 268 I HN 0.259 nan 8.210 nan 0.000 0.409 269 R N 0.531 121.034 120.500 0.005 0.000 2.127 269 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 269 R C 2.158 178.451 176.300 -0.011 0.000 1.134 269 R CA 1.488 57.583 56.100 -0.008 0.000 0.975 269 R CB -0.408 29.906 30.300 0.024 0.000 0.865 269 R HN 0.405 nan 8.270 nan 0.000 0.447 270 A N 0.228 123.048 122.820 0.000 0.000 2.218 270 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 270 A C 0.694 178.265 177.584 -0.021 0.000 1.168 270 A CA 0.128 52.161 52.037 -0.008 0.000 0.804 270 A CB 0.043 19.040 19.000 -0.005 0.000 0.834 270 A HN 0.351 nan 8.150 nan 0.000 0.482 271 L N -1.783 119.422 121.223 -0.031 0.000 3.783 271 L HA -0.169 4.171 4.340 -0.000 0.000 0.409 271 L C -0.640 176.217 176.870 -0.022 0.000 1.223 271 L CA 0.474 55.293 54.840 -0.036 0.000 0.888 271 L CB -2.089 39.953 42.059 -0.029 0.000 2.018 271 L HN 0.378 nan 8.230 nan 0.000 0.780 272 K N 0.739 121.130 120.400 -0.016 0.000 2.507 272 K HA 0.607 4.926 4.320 -0.000 0.000 0.252 272 K C 0.226 176.829 176.600 0.005 0.000 0.943 272 K CA -0.744 55.538 56.287 -0.008 0.000 0.808 272 K CB 2.934 35.421 32.500 -0.021 0.000 1.142 272 K HN 0.108 nan 8.250 nan 0.000 0.426 273 V N 0.267 120.189 119.914 0.014 0.000 3.178 273 V HA 0.279 4.399 4.120 -0.000 0.000 0.306 273 V C 0.127 176.217 176.094 -0.007 0.000 1.107 273 V CA -0.479 61.820 62.300 -0.001 0.000 1.195 273 V CB 1.041 32.858 31.823 -0.009 0.000 0.993 273 V HN 0.506 nan 8.190 nan 0.000 0.493 274 V N 4.588 124.496 119.914 -0.010 0.000 2.888 274 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 274 V C -0.672 175.413 176.094 -0.015 0.000 1.114 274 V CA -0.634 61.667 62.300 0.002 0.000 0.940 274 V CB 2.022 33.867 31.823 0.036 0.000 1.021 274 V HN 0.891 nan 8.190 nan 0.000 0.426 275 I N 4.495 125.053 120.570 -0.021 0.000 2.433 275 I HA 0.434 4.604 4.170 -0.000 0.000 0.292 275 I C -0.225 175.887 176.117 -0.009 0.000 1.001 275 I CA -0.484 60.800 61.300 -0.028 0.000 1.119 275 I CB 2.344 40.312 38.000 -0.054 0.000 1.289 275 I HN 0.512 nan 8.210 nan 0.000 0.438 276 T N 5.384 119.935 114.554 -0.004 0.000 2.738 276 T HA 0.515 4.865 4.350 -0.000 0.000 0.298 276 T C 0.549 175.248 174.700 -0.001 0.000 0.962 276 T CA -0.314 61.784 62.100 -0.003 0.000 0.972 276 T CB 1.709 70.575 68.868 -0.002 0.000 0.928 276 T HN 0.808 nan 8.240 nan 0.000 0.474 277 A N 3.540 126.360 122.820 0.001 0.000 2.007 277 A HA 0.430 4.750 4.320 -0.000 0.000 0.200 277 A C 1.473 179.063 177.584 0.010 0.000 2.019 277 A CA 0.035 52.076 52.037 0.007 0.000 1.002 277 A CB -0.542 18.464 19.000 0.011 0.000 1.213 277 A HN 0.709 nan 8.150 nan 0.000 0.635 278 T N -3.064 111.497 114.554 0.012 0.000 2.689 278 T HA 0.383 4.733 4.350 -0.000 0.000 0.308 278 T C 0.678 175.384 174.700 0.010 0.000 1.021 278 T CA 0.584 62.694 62.100 0.016 0.000 0.973 278 T CB -0.006 68.873 68.868 0.019 0.000 1.113 278 T HN 0.673 nan 8.240 nan 0.000 0.522 279 M N -0.211 119.396 119.600 0.012 0.000 2.393 279 M HA -0.205 4.275 4.480 -0.000 0.000 0.201 279 M C 0.816 177.118 176.300 0.004 0.000 0.403 279 M CA 0.376 55.680 55.300 0.007 0.000 0.471 279 M CB -1.250 31.351 32.600 0.001 0.000 1.669 279 M HN 0.639 nan 8.290 nan 0.000 0.864 280 M N -0.879 118.725 119.600 0.007 0.000 2.131 280 M HA 0.105 4.585 4.480 -0.000 0.000 0.253 280 M C 1.366 177.670 176.300 0.007 0.000 1.107 280 M CA 1.546 56.849 55.300 0.005 0.000 1.147 280 M CB -0.240 32.364 32.600 0.008 0.000 1.279 280 M HN 0.448 nan 8.290 nan 0.000 0.432 281 L N 0.617 121.848 121.223 0.012 0.000 3.154 281 L HA 0.151 4.491 4.340 -0.000 0.000 0.266 281 L C 0.558 177.439 176.870 0.018 0.000 1.300 281 L CA -0.456 54.391 54.840 0.012 0.000 1.028 281 L CB 0.053 42.121 42.059 0.015 0.000 1.412 281 L HN 0.182 nan 8.230 nan 0.000 0.564 282 D N 0.485 120.895 120.400 0.017 0.000 2.182 282 D HA -0.197 4.443 4.640 -0.000 0.000 0.201 282 D C 2.252 178.566 176.300 0.025 0.000 0.986 282 D CA 1.828 55.841 54.000 0.022 0.000 0.847 282 D CB 0.230 41.041 40.800 0.018 0.000 0.942 282 D HN 0.430 nan 8.370 nan 0.000 0.467 283 S N 0.383 116.092 115.700 0.016 0.000 2.402 283 S HA -0.198 4.272 4.470 -0.000 0.000 0.233 283 S C 1.902 176.520 174.600 0.029 0.000 1.030 283 S CA 0.877 59.086 58.200 0.015 0.000 1.003 283 S CB -0.455 62.745 63.200 -0.000 0.000 0.813 283 S HN 0.258 nan 8.310 nan 0.000 0.477 284 M N 0.382 120.000 119.600 0.031 0.000 2.700 284 M HA 0.174 4.654 4.480 -0.000 0.000 0.249 284 M C 1.534 177.921 176.300 0.146 0.000 1.082 284 M CA 0.526 55.862 55.300 0.060 0.000 1.077 284 M CB -0.590 32.034 32.600 0.039 0.000 1.477 284 M HN 0.345 nan 8.290 nan 0.000 0.529 285 I N 0.441 121.069 120.570 0.098 0.000 2.493 285 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 285 I C 2.040 178.239 176.117 0.136 0.000 1.160 285 I CA 1.504 62.861 61.300 0.095 0.000 1.445 285 I CB -0.010 38.019 38.000 0.048 0.000 1.086 285 I HN 0.267 nan 8.210 nan 0.000 0.433 286 K N -0.502 119.986 120.400 0.146 0.000 2.399 286 K HA 0.203 4.523 4.320 -0.000 0.000 0.196 286 K C -0.024 176.724 176.600 0.247 0.000 1.103 286 K CA 0.096 56.489 56.287 0.176 0.000 0.986 286 K CB 0.430 32.983 32.500 0.089 0.000 0.952 286 K HN 0.298 nan 8.250 nan 0.000 0.541 287 N N 0.345 119.106 118.700 0.101 0.000 2.381 287 N HA 0.195 4.935 4.740 -0.000 0.000 0.294 287 N C -2.622 172.567 175.510 -0.534 0.000 1.216 287 N CA -1.847 51.114 53.050 -0.147 0.000 0.803 287 N CB 1.856 40.278 38.487 -0.108 0.000 1.372 287 N HN -0.246 nan 8.380 nan 0.000 0.500 288 P HA 0.156 nan 4.420 nan 0.000 0.261 288 P C -1.005 176.085 177.300 -0.349 0.000 1.352 288 P CA 0.377 62.938 63.100 -0.898 0.000 0.891 288 P CB 0.328 31.404 31.700 -1.040 0.000 1.383 289 R N 0.310 120.670 120.500 -0.234 0.000 2.626 289 R HA 0.472 4.812 4.340 -0.000 0.000 0.274 289 R C -3.108 173.142 176.300 -0.085 0.000 1.031 289 R CA -2.020 54.005 56.100 -0.124 0.000 0.898 289 R CB 1.851 32.092 30.300 -0.099 0.000 1.222 289 R HN -0.095 nan 8.270 nan 0.000 0.455 290 P HA 0.143 nan 4.420 nan 0.000 0.280 290 P C -0.425 176.857 177.300 -0.031 0.000 1.272 290 P CA -0.372 62.709 63.100 -0.033 0.000 0.819 290 P CB 0.990 32.678 31.700 -0.021 0.000 1.122 291 T N -2.540 112.000 114.554 -0.023 0.000 2.918 291 T HA 0.242 4.592 4.350 -0.000 0.000 0.283 291 T C 1.338 176.027 174.700 -0.019 0.000 1.001 291 T CA -0.772 61.315 62.100 -0.021 0.000 1.041 291 T CB 1.064 69.922 68.868 -0.017 0.000 1.028 291 T HN 0.387 nan 8.240 nan 0.000 0.511 292 R N 1.214 121.703 120.500 -0.018 0.000 2.103 292 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 292 R C 2.242 178.532 176.300 -0.017 0.000 1.142 292 R CA 2.103 58.193 56.100 -0.017 0.000 0.960 292 R CB -1.452 28.839 30.300 -0.016 0.000 0.858 292 R HN 0.860 nan 8.270 nan 0.000 0.439 293 A N 1.125 123.935 122.820 -0.017 0.000 1.917 293 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 293 A C 2.125 179.699 177.584 -0.018 0.000 1.182 293 A CA 1.836 53.862 52.037 -0.018 0.000 0.633 293 A CB -0.531 18.458 19.000 -0.018 0.000 0.819 293 A HN 0.590 nan 8.150 nan 0.000 0.448 294 E N -0.608 119.582 120.200 -0.016 0.000 2.077 294 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 294 E C 2.328 178.920 176.600 -0.013 0.000 0.989 294 E CA 0.945 57.337 56.400 -0.014 0.000 0.800 294 E CB -0.276 29.418 29.700 -0.011 0.000 0.746 294 E HN 0.624 nan 8.360 nan 0.000 0.452 295 A N 0.728 123.540 122.820 -0.013 0.000 1.940 295 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 295 A C 2.343 179.919 177.584 -0.013 0.000 1.176 295 A CA 1.803 53.834 52.037 -0.012 0.000 0.631 295 A CB -0.992 18.001 19.000 -0.012 0.000 0.814 295 A HN 0.391 nan 8.150 nan 0.000 0.446 296 G N -0.644 108.146 108.800 -0.016 0.000 2.403 296 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 296 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 296 G C 1.324 176.210 174.900 -0.023 0.000 1.154 296 G CA 1.190 46.278 45.100 -0.020 0.000 0.784 296 G HN 0.473 nan 8.290 nan 0.000 0.538 297 D N 0.459 120.844 120.400 -0.024 0.000 2.116 297 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 297 D C 2.696 178.983 176.300 -0.021 0.000 0.998 297 D CA 1.091 55.074 54.000 -0.027 0.000 0.836 297 D CB -0.274 40.510 40.800 -0.026 0.000 0.951 297 D HN 0.168 nan 8.370 nan 0.000 0.449 298 V N 0.934 120.840 119.914 -0.014 0.000 2.307 298 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 298 V C 2.654 178.745 176.094 -0.006 0.000 1.045 298 V CA 1.706 64.002 62.300 -0.007 0.000 1.024 298 V CB -0.994 30.828 31.823 -0.002 0.000 0.651 298 V HN 0.276 nan 8.190 nan 0.000 0.449 299 A N 0.442 123.258 122.820 -0.008 0.000 1.908 299 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 299 A C 2.113 179.690 177.584 -0.012 0.000 1.181 299 A CA 2.229 54.262 52.037 -0.007 0.000 0.627 299 A CB -0.704 18.290 19.000 -0.009 0.000 0.818 299 A HN 0.580 nan 8.150 nan 0.000 0.445 300 N N 0.038 118.725 118.700 -0.021 0.000 2.188 300 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 300 N C 1.902 177.396 175.510 -0.026 0.000 1.018 300 N CA 1.363 54.395 53.050 -0.030 0.000 0.858 300 N CB -0.435 38.027 38.487 -0.041 0.000 0.989 300 N HN 0.471 nan 8.380 nan 0.000 0.426 301 A N 1.290 124.099 122.820 -0.019 0.000 1.930 301 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 301 A C 2.297 179.885 177.584 0.007 0.000 1.175 301 A CA 0.742 52.773 52.037 -0.011 0.000 0.627 301 A CB -0.542 18.453 19.000 -0.009 0.000 0.815 301 A HN 0.199 nan 8.150 nan 0.000 0.443 302 I N -0.292 120.286 120.570 0.013 0.000 2.127 302 I HA -0.295 3.875 4.170 -0.000 0.000 0.241 302 I C 2.337 178.465 176.117 0.019 0.000 1.075 302 I CA 1.399 62.719 61.300 0.033 0.000 1.334 302 I CB -0.510 37.511 38.000 0.034 0.000 1.040 302 I HN 0.279 nan 8.210 nan 0.000 0.405 303 L N 0.270 121.485 121.223 -0.013 0.000 2.079 303 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 303 L C 2.024 178.852 176.870 -0.071 0.000 1.081 303 L CA 1.163 55.973 54.840 -0.050 0.000 0.752 303 L CB -0.765 41.264 42.059 -0.050 0.000 0.896 303 L HN 0.260 nan 8.230 nan 0.000 0.433 304 D N 0.212 120.588 120.400 -0.040 0.000 2.309 304 D HA -0.083 4.557 4.640 -0.000 0.000 0.212 304 D C 1.630 177.919 176.300 -0.018 0.000 0.968 304 D CA 1.414 55.394 54.000 -0.034 0.000 0.882 304 D CB 0.099 40.887 40.800 -0.020 0.000 0.918 304 D HN 0.478 nan 8.370 nan 0.000 0.503 305 G N 0.072 108.883 108.800 0.018 0.000 2.141 305 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.164 305 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.164 305 G C 0.450 175.492 174.900 0.236 0.000 1.009 305 G CA 0.177 45.373 45.100 0.159 0.000 0.677 305 G HN 0.341 nan 8.290 nan 0.000 0.508 306 T N -0.299 114.334 114.554 0.131 0.000 2.900 306 T HA 0.372 4.722 4.350 -0.000 0.000 0.307 306 T C 1.520 176.268 174.700 0.080 0.000 1.065 306 T CA 1.029 63.181 62.100 0.088 0.000 1.105 306 T CB 0.430 69.325 68.868 0.045 0.000 0.979 306 T HN 0.204 nan 8.240 nan 0.000 0.544 307 D N 1.535 121.956 120.400 0.035 0.000 2.183 307 D HA 0.322 4.962 4.640 -0.000 0.000 0.205 307 D C 0.436 176.744 176.300 0.013 0.000 0.962 307 D CA 0.773 54.780 54.000 0.011 0.000 0.849 307 D CB 0.197 40.989 40.800 -0.014 0.000 0.978 307 D HN 0.607 nan 8.370 nan 0.000 0.488 308 A N -0.158 122.663 122.820 0.003 0.000 2.566 308 A HA 0.664 4.984 4.320 -0.000 0.000 0.292 308 A C -1.139 176.446 177.584 0.001 0.000 1.112 308 A CA -0.786 51.251 52.037 -0.001 0.000 0.707 308 A CB 1.373 20.359 19.000 -0.023 0.000 1.302 308 A HN 0.059 nan 8.150 nan 0.000 0.409 309 V N -1.274 118.643 119.914 0.005 0.000 2.715 309 V HA 0.872 4.992 4.120 -0.000 0.000 0.310 309 V C -0.320 175.778 176.094 0.006 0.000 1.054 309 V CA -0.695 61.609 62.300 0.007 0.000 0.928 309 V CB 1.476 33.306 31.823 0.012 0.000 1.007 309 V HN 1.197 nan 8.190 nan 0.000 0.437 310 M N 4.570 124.174 119.600 0.007 0.000 2.321 310 M HA 0.656 5.136 4.480 -0.000 0.000 0.315 310 M C -1.889 174.422 176.300 0.019 0.000 1.052 310 M CA -0.612 54.695 55.300 0.011 0.000 0.936 310 M CB 1.914 34.518 32.600 0.008 0.000 1.639 310 M HN 0.764 nan 8.290 nan 0.000 0.433 311 L N 3.453 124.691 121.223 0.024 0.000 2.312 311 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 311 L C 0.264 177.155 176.870 0.034 0.000 1.070 311 L CA -0.187 54.671 54.840 0.029 0.000 0.805 311 L CB 1.771 43.849 42.059 0.032 0.000 1.174 311 L HN 0.893 nan 8.230 nan 0.000 0.434 312 S N 1.237 116.958 115.700 0.034 0.000 4.213 312 S HA 0.226 4.696 4.470 -0.000 0.000 0.205 312 S C 1.544 176.168 174.600 0.039 0.000 1.008 312 S CA 0.202 58.426 58.200 0.040 0.000 1.742 312 S CB 0.155 63.378 63.200 0.038 0.000 0.754 312 S HN 0.880 nan 8.310 nan 0.000 0.715 313 G N 0.922 109.744 108.800 0.036 0.000 2.562 313 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.223 313 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.223 313 G C 0.924 175.840 174.900 0.027 0.000 1.102 313 G CA 1.619 46.735 45.100 0.026 0.000 0.742 313 G HN 0.643 nan 8.290 nan 0.000 0.587 314 E N 0.491 120.713 120.200 0.036 0.000 2.209 314 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 314 E C 2.605 179.231 176.600 0.044 0.000 0.993 314 E CA 1.498 57.926 56.400 0.047 0.000 0.819 314 E CB -0.031 29.698 29.700 0.048 0.000 0.745 314 E HN 0.619 nan 8.360 nan 0.000 0.477 315 S N -1.498 114.222 115.700 0.035 0.000 2.578 315 S HA 0.464 4.934 4.470 -0.000 0.000 0.228 315 S C 1.601 176.212 174.600 0.019 0.000 1.022 315 S CA -0.016 58.203 58.200 0.031 0.000 0.967 315 S CB 0.928 64.149 63.200 0.035 0.000 0.914 315 S HN 0.233 nan 8.310 nan 0.000 0.515 316 A N 3.177 126.007 122.820 0.016 0.000 1.942 316 A HA 0.290 4.610 4.320 -0.000 0.000 0.209 316 A C 1.933 179.507 177.584 -0.018 0.000 1.214 316 A CA 0.835 52.876 52.037 0.006 0.000 0.686 316 A CB -0.028 18.984 19.000 0.020 0.000 0.871 316 A HN 0.559 nan 8.150 nan 0.000 0.460 317 K N -1.358 119.029 120.400 -0.022 0.000 2.529 317 K HA 0.257 4.577 4.320 -0.000 0.000 0.215 317 K C 0.930 177.501 176.600 -0.048 0.000 1.286 317 K CA 0.360 56.621 56.287 -0.045 0.000 0.997 317 K CB -0.072 32.393 32.500 -0.058 0.000 1.063 317 K HN 0.236 nan 8.250 nan 0.000 0.590 318 G N 1.376 110.161 108.800 -0.026 0.000 2.732 318 G HA2 0.196 4.155 3.960 -0.000 0.000 0.244 318 G HA3 0.196 4.155 3.960 -0.000 0.000 0.244 318 G C 0.839 175.676 174.900 -0.105 0.000 1.226 318 G CA 0.362 45.446 45.100 -0.026 0.000 0.860 318 G HN 0.323 nan 8.290 nan 0.000 0.583 319 K N -0.986 119.292 120.400 -0.204 0.000 2.366 319 K HA 0.149 4.469 4.320 -0.000 0.000 0.198 319 K C 0.599 176.683 176.600 -0.861 0.000 1.044 319 K CA 0.995 56.949 56.287 -0.555 0.000 0.973 319 K CB -0.235 31.819 32.500 -0.744 0.000 0.767 319 K HN 0.636 nan 8.250 nan 0.000 0.475 320 Y N -0.036 120.262 120.300 -0.004 0.000 2.517 320 Y HA 0.192 4.742 4.550 -0.000 0.000 0.330 320 Y C -1.784 174.117 175.900 0.001 0.000 0.917 320 Y CA -2.393 55.706 58.100 -0.001 0.000 1.131 320 Y CB 1.302 39.762 38.460 -0.001 0.000 1.175 320 Y HN 0.037 nan 8.280 nan 0.000 0.620 321 P HA -0.244 nan 4.420 nan 0.000 0.215 321 P C 1.612 178.953 177.300 0.069 0.000 1.157 321 P CA 1.325 64.460 63.100 0.058 0.000 0.874 321 P CB 0.715 32.426 31.700 0.018 0.000 0.790 322 L N -0.421 120.843 121.223 0.069 0.000 2.341 322 L HA 0.010 4.350 4.340 -0.000 0.000 0.214 322 L C 2.110 179.022 176.870 0.070 0.000 1.115 322 L CA 1.613 56.489 54.840 0.060 0.000 0.820 322 L CB -0.977 41.111 42.059 0.049 0.000 0.944 322 L HN -0.239 nan 8.230 nan 0.000 0.452 323 E N -0.093 120.170 120.200 0.104 0.000 2.106 323 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 323 E C 2.254 178.884 176.600 0.050 0.000 0.984 323 E CA 1.314 57.758 56.400 0.074 0.000 0.806 323 E CB -0.449 29.291 29.700 0.067 0.000 0.750 323 E HN 0.558 nan 8.360 nan 0.000 0.458 324 A N 0.489 123.351 122.820 0.070 0.000 1.897 324 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 324 A C 2.450 180.057 177.584 0.038 0.000 1.181 324 A CA 1.193 53.259 52.037 0.048 0.000 0.620 324 A CB -0.716 18.319 19.000 0.058 0.000 0.821 324 A HN 0.132 nan 8.150 nan 0.000 0.443 325 V N 0.186 120.125 119.914 0.042 0.000 2.252 325 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 325 V C 2.799 178.910 176.094 0.029 0.000 1.056 325 V CA 2.502 64.822 62.300 0.034 0.000 1.022 325 V CB -1.046 30.799 31.823 0.035 0.000 0.641 325 V HN 0.554 nan 8.190 nan 0.000 0.445 326 S N -0.302 115.415 115.700 0.029 0.000 2.368 326 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 326 S C 1.901 176.510 174.600 0.016 0.000 1.030 326 S CA 1.664 59.878 58.200 0.023 0.000 0.999 326 S CB -0.387 62.826 63.200 0.023 0.000 0.844 326 S HN 0.458 nan 8.310 nan 0.000 0.459 327 I N 1.422 121.999 120.570 0.012 0.000 2.546 327 I HA 0.020 4.190 4.170 -0.000 0.000 0.255 327 I C 1.994 178.115 176.117 0.008 0.000 1.163 327 I CA 0.786 62.088 61.300 0.004 0.000 1.457 327 I CB -0.610 37.386 38.000 -0.006 0.000 1.092 327 I HN 0.201 nan 8.210 nan 0.000 0.434 328 M N 0.856 120.464 119.600 0.013 0.000 2.149 328 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 328 M C 2.079 178.389 176.300 0.017 0.000 1.064 328 M CA 2.309 57.618 55.300 0.015 0.000 1.102 328 M CB -0.718 31.894 32.600 0.019 0.000 1.369 328 M HN 0.243 nan 8.290 nan 0.000 0.408 329 A N -1.365 121.467 122.820 0.019 0.000 2.021 329 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 329 A C 2.215 179.810 177.584 0.018 0.000 1.163 329 A CA 1.635 53.684 52.037 0.021 0.000 0.676 329 A CB -1.380 17.633 19.000 0.023 0.000 0.818 329 A HN 0.673 nan 8.150 nan 0.000 0.453 330 T N -1.102 113.461 114.554 0.014 0.000 2.821 330 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 330 T C 1.814 176.521 174.700 0.012 0.000 1.046 330 T CA 1.509 63.617 62.100 0.013 0.000 1.139 330 T CB -0.589 68.284 68.868 0.009 0.000 0.871 330 T HN 0.327 nan 8.240 nan 0.000 0.454 331 I N 0.841 121.417 120.570 0.010 0.000 2.179 331 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 331 I C 3.059 179.185 176.117 0.014 0.000 1.088 331 I CA 1.014 62.320 61.300 0.009 0.000 1.357 331 I CB -0.730 37.273 38.000 0.006 0.000 1.051 331 I HN 0.367 nan 8.210 nan 0.000 0.409 332 C N 0.517 119.828 119.300 0.018 0.000 2.393 332 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 332 C C 2.923 177.930 174.990 0.028 0.000 1.215 332 C CA 1.231 60.264 59.018 0.025 0.000 1.743 332 C CB -0.986 26.770 27.740 0.028 0.000 2.044 332 C HN 0.532 nan 8.230 nan 0.000 0.464 333 E N 1.031 121.247 120.200 0.026 0.000 2.049 333 E HA -0.252 4.098 4.350 -0.000 0.000 0.198 333 E C 2.252 178.867 176.600 0.025 0.000 1.007 333 E CA 1.705 58.121 56.400 0.027 0.000 0.809 333 E CB -0.404 29.311 29.700 0.024 0.000 0.749 333 E HN 0.524 nan 8.360 nan 0.000 0.450 334 R N 0.039 120.551 120.500 0.019 0.000 2.092 334 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 334 R C 2.288 178.597 176.300 0.015 0.000 1.119 334 R CA 2.199 58.308 56.100 0.015 0.000 0.970 334 R CB -0.752 29.554 30.300 0.010 0.000 0.864 334 R HN 0.164 nan 8.270 nan 0.000 0.440 335 T N 0.403 114.967 114.554 0.016 0.000 2.851 335 T HA -0.025 4.325 4.350 -0.000 0.000 0.262 335 T C 1.075 175.790 174.700 0.025 0.000 1.043 335 T CA 1.221 63.330 62.100 0.015 0.000 1.140 335 T CB -0.285 68.591 68.868 0.013 0.000 0.872 335 T HN 0.206 nan 8.240 nan 0.000 0.446 336 D N 1.449 121.871 120.400 0.036 0.000 2.144 336 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 336 D C 2.288 178.618 176.300 0.050 0.000 0.984 336 D CA 0.735 54.768 54.000 0.054 0.000 0.834 336 D CB -0.273 40.563 40.800 0.060 0.000 0.955 336 D HN 0.493 nan 8.370 nan 0.000 0.465 337 R N 0.997 121.519 120.500 0.038 0.000 2.316 337 R HA -0.037 4.303 4.340 -0.000 0.000 0.202 337 R C 1.052 177.370 176.300 0.030 0.000 1.029 337 R CA 0.791 56.913 56.100 0.036 0.000 1.018 337 R CB -0.099 30.218 30.300 0.030 0.000 0.888 337 R HN 0.183 nan 8.270 nan 0.000 0.471 338 V N -2.238 117.689 119.914 0.023 0.000 3.214 338 V HA 0.358 4.478 4.120 -0.000 0.000 0.330 338 V C 0.677 176.777 176.094 0.009 0.000 1.403 338 V CA -0.514 61.794 62.300 0.014 0.000 1.143 338 V CB -0.361 31.466 31.823 0.007 0.000 1.098 338 V HN 0.066 nan 8.190 nan 0.000 0.463 339 M N 1.444 121.056 119.600 0.020 0.000 2.369 339 M HA 0.511 4.991 4.480 -0.000 0.000 0.291 339 M C -0.106 176.208 176.300 0.024 0.000 1.178 339 M CA -0.039 55.264 55.300 0.005 0.000 0.996 339 M CB 1.056 33.666 32.600 0.017 0.000 1.472 339 M HN 0.306 nan 8.290 nan 0.000 0.496 340 N N -0.600 118.109 118.700 0.014 0.000 2.357 340 N HA 0.353 5.093 4.740 -0.000 0.000 0.284 340 N C -1.348 174.217 175.510 0.092 0.000 1.236 340 N CA -0.514 52.562 53.050 0.044 0.000 0.774 340 N CB 1.803 40.300 38.487 0.018 0.000 1.534 340 N HN 0.692 nan 8.380 nan 0.000 0.478 341 S N 0.324 116.098 115.700 0.122 0.000 2.576 341 S HA 0.305 4.775 4.470 -0.000 0.000 0.272 341 S C 0.022 174.722 174.600 0.167 0.000 1.352 341 S CA -0.351 57.963 58.200 0.191 0.000 1.021 341 S CB 0.669 63.961 63.200 0.154 0.000 0.887 341 S HN 0.424 nan 8.310 nan 0.000 0.542 342 R N 1.543 122.196 120.500 0.256 0.000 2.352 342 R HA 0.385 4.725 4.340 -0.000 0.000 0.304 342 R C 0.076 176.546 176.300 0.283 0.000 1.104 342 R CA -0.297 55.927 56.100 0.207 0.000 0.991 342 R CB 0.546 30.967 30.300 0.201 0.000 1.140 342 R HN 0.606 nan 8.270 nan 0.000 0.540 343 L N 1.672 122.995 121.223 0.166 0.000 2.130 343 L HA 0.076 4.416 4.340 -0.000 0.000 0.200 343 L C 1.297 178.242 176.870 0.124 0.000 1.075 343 L CA 1.134 56.040 54.840 0.111 0.000 0.768 343 L CB -0.532 41.536 42.059 0.014 0.000 0.933 343 L HN 0.837 nan 8.230 nan 0.000 0.451 355 T N 1.373 115.952 114.554 0.041 0.000 2.635 355 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 355 T C 1.498 176.244 174.700 0.078 0.000 1.040 355 T CA 2.227 64.358 62.100 0.053 0.000 1.156 355 T CB -0.173 68.722 68.868 0.046 0.000 0.863 355 T HN 0.233 nan 8.240 nan 0.000 0.430 356 E N 1.291 121.546 120.200 0.091 0.000 2.085 356 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 356 E C 2.371 179.023 176.600 0.087 0.000 0.994 356 E CA 1.252 57.738 56.400 0.143 0.000 0.801 356 E CB -0.812 28.976 29.700 0.146 0.000 0.743 356 E HN 0.535 nan 8.360 nan 0.000 0.453 357 A N 0.540 123.389 122.820 0.048 0.000 1.873 357 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 357 A C 2.535 180.116 177.584 -0.004 0.000 1.186 357 A CA 1.498 53.542 52.037 0.012 0.000 0.616 357 A CB -0.748 18.259 19.000 0.011 0.000 0.823 357 A HN 0.142 nan 8.150 nan 0.000 0.442 358 V N -0.530 119.396 119.914 0.021 0.000 2.255 358 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 358 V C 2.656 178.757 176.094 0.013 0.000 1.051 358 V CA 2.207 64.520 62.300 0.021 0.000 1.018 358 V CB -1.258 30.590 31.823 0.043 0.000 0.641 358 V HN 0.706 nan 8.190 nan 0.000 0.445 359 C N -0.703 118.623 119.300 0.043 0.000 2.435 359 C HA -0.090 4.370 4.460 -0.000 0.000 0.279 359 C C 2.881 177.809 174.990 -0.104 0.000 1.321 359 C CA 0.866 59.920 59.018 0.060 0.000 1.752 359 C CB -1.212 26.645 27.740 0.196 0.000 1.959 359 C HN 0.504 nan 8.230 nan 0.000 0.500 360 R N 0.867 121.188 120.500 -0.299 0.000 2.092 360 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 360 R C 2.316 178.413 176.300 -0.338 0.000 1.119 360 R CA 1.650 57.322 56.100 -0.713 0.000 0.970 360 R CB -0.556 29.376 30.300 -0.612 0.000 0.864 360 R HN 0.596 nan 8.270 nan 0.000 0.440 361 G N -0.065 108.630 108.800 -0.176 0.000 2.402 361 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 361 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 361 G C 1.491 176.349 174.900 -0.071 0.000 1.162 361 G CA 0.700 45.741 45.100 -0.098 0.000 0.777 361 G HN 0.444 nan 8.290 nan 0.000 0.539 362 A N 0.074 122.865 122.820 -0.048 0.000 1.908 362 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 362 A C 2.584 180.160 177.584 -0.014 0.000 1.181 362 A CA 1.966 53.997 52.037 -0.010 0.000 0.627 362 A CB -0.597 18.420 19.000 0.028 0.000 0.818 362 A HN 0.273 nan 8.150 nan 0.000 0.445 363 V N -0.226 119.663 119.914 -0.043 0.000 2.488 363 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 363 V C 2.489 178.565 176.094 -0.029 0.000 1.046 363 V CA 1.984 64.276 62.300 -0.014 0.000 1.053 363 V CB -0.536 31.286 31.823 -0.002 0.000 0.679 363 V HN 0.770 nan 8.190 nan 0.000 0.458 364 E N 0.101 120.255 120.200 -0.078 0.000 2.110 364 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 364 E C 2.147 178.728 176.600 -0.030 0.000 0.988 364 E CA 1.889 58.255 56.400 -0.056 0.000 0.804 364 E CB -0.029 29.623 29.700 -0.079 0.000 0.745 364 E HN 0.599 nan 8.360 nan 0.000 0.458 365 T N 0.615 115.151 114.554 -0.031 0.000 2.812 365 T HA -0.023 4.327 4.350 -0.000 0.000 0.264 365 T C 1.890 176.584 174.700 -0.011 0.000 1.042 365 T CA 1.031 63.118 62.100 -0.021 0.000 1.140 365 T CB -0.296 68.557 68.868 -0.026 0.000 0.870 365 T HN 0.335 nan 8.240 nan 0.000 0.445 366 A N 2.204 125.022 122.820 -0.002 0.000 1.915 366 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 366 A C 2.209 179.800 177.584 0.011 0.000 1.198 366 A CA 2.005 54.048 52.037 0.009 0.000 0.647 366 A CB -0.600 18.414 19.000 0.023 0.000 0.825 366 A HN 0.614 nan 8.150 nan 0.000 0.456 367 E N -0.553 119.654 120.200 0.012 0.000 2.107 367 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 367 E C 2.085 178.690 176.600 0.009 0.000 0.982 367 E CA 1.099 57.509 56.400 0.017 0.000 0.809 367 E CB -0.200 29.514 29.700 0.023 0.000 0.756 367 E HN 0.638 nan 8.360 nan 0.000 0.459 368 K N 0.827 121.228 120.400 0.002 0.000 2.026 368 K HA -0.064 4.256 4.320 -0.000 0.000 0.208 368 K C 1.922 178.521 176.600 -0.002 0.000 1.048 368 K CA 0.968 57.254 56.287 -0.002 0.000 0.929 368 K CB -0.048 32.447 32.500 -0.008 0.000 0.713 368 K HN 0.100 nan 8.250 nan 0.000 0.439 369 L N 0.579 121.799 121.223 -0.004 0.000 2.627 369 L HA 0.070 4.410 4.340 -0.000 0.000 0.232 369 L C -0.606 176.266 176.870 0.003 0.000 1.150 369 L CA -0.015 54.822 54.840 -0.005 0.000 0.917 369 L CB -0.462 41.590 42.059 -0.012 0.000 1.104 369 L HN 0.242 nan 8.230 nan 0.000 0.445 370 D N 0.730 121.135 120.400 0.008 0.000 2.699 370 D HA -0.158 4.482 4.640 -0.000 0.000 0.239 370 D C 0.363 176.673 176.300 0.017 0.000 1.136 370 D CA 0.746 54.755 54.000 0.015 0.000 0.668 370 D CB -0.248 40.561 40.800 0.014 0.000 1.060 370 D HN 0.478 nan 8.370 nan 0.000 0.429 371 A N 0.850 123.679 122.820 0.016 0.000 2.328 371 A HA 0.534 4.854 4.320 -0.000 0.000 0.284 371 A C -0.968 176.629 177.584 0.021 0.000 1.160 371 A CA -1.025 51.022 52.037 0.016 0.000 0.818 371 A CB 0.796 19.804 19.000 0.013 0.000 1.087 371 A HN 0.071 nan 8.150 nan 0.000 0.504 372 P HA 0.108 nan 4.420 nan 0.000 0.241 372 P C -0.250 177.061 177.300 0.018 0.000 1.191 372 P CA 0.517 63.630 63.100 0.022 0.000 0.771 372 P CB 0.053 31.764 31.700 0.018 0.000 0.929 373 L N -0.555 120.677 121.223 0.014 0.000 2.472 373 L HA 0.501 4.841 4.340 -0.000 0.000 0.260 373 L C -1.502 175.384 176.870 0.027 0.000 0.963 373 L CA -1.062 53.787 54.840 0.016 0.000 0.829 373 L CB 2.294 44.350 42.059 -0.004 0.000 1.348 373 L HN -0.313 nan 8.230 nan 0.000 0.408 374 I N 4.660 125.256 120.570 0.042 0.000 2.406 374 I HA 0.531 4.701 4.170 -0.000 0.000 0.290 374 I C -0.885 175.281 176.117 0.083 0.000 0.999 374 I CA -0.877 60.460 61.300 0.062 0.000 1.124 374 I CB 2.005 40.046 38.000 0.068 0.000 1.289 374 I HN 0.266 nan 8.210 nan 0.000 0.441 375 V N 7.382 127.363 119.914 0.113 0.000 2.417 375 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 375 V C -0.129 176.154 176.094 0.316 0.000 1.024 375 V CA -0.599 61.804 62.300 0.172 0.000 0.861 375 V CB 1.930 33.821 31.823 0.113 0.000 0.985 375 V HN 0.382 nan 8.190 nan 0.000 0.436 376 V N 3.563 123.625 119.914 0.246 0.000 2.680 376 V HA 0.809 4.929 4.120 -0.000 0.000 0.309 376 V C 0.280 176.363 176.094 -0.019 0.000 1.052 376 V CA -0.648 61.757 62.300 0.175 0.000 0.908 376 V CB 2.123 33.996 31.823 0.082 0.000 1.001 376 V HN 0.980 nan 8.190 nan 0.000 0.431 377 A N 2.518 125.114 122.820 -0.373 0.000 2.310 377 A HA 0.861 5.181 4.320 -0.000 0.000 0.299 377 A C -0.059 177.363 177.584 -0.271 0.000 1.147 377 A CA -0.279 51.425 52.037 -0.555 0.000 0.818 377 A CB 1.334 19.677 19.000 -1.094 0.000 1.096 377 A HN 0.946 nan 8.150 nan 0.000 0.495 378 T N 0.305 114.747 114.554 -0.185 0.000 3.047 378 T HA 0.274 4.624 4.350 -0.000 0.000 0.340 378 T C -0.029 174.613 174.700 -0.096 0.000 1.421 378 T CA -0.425 61.605 62.100 -0.117 0.000 1.090 378 T CB 1.405 70.231 68.868 -0.070 0.000 1.292 378 T HN 0.580 nan 8.240 nan 0.000 0.480 379 Q N 2.560 122.312 119.800 -0.080 0.000 2.178 379 Q HA 0.211 4.551 4.340 -0.000 0.000 0.195 379 Q C 1.998 177.965 176.000 -0.055 0.000 0.960 379 Q CA 1.841 57.602 55.803 -0.069 0.000 0.843 379 Q CB -0.290 28.412 28.738 -0.061 0.000 0.927 379 Q HN 0.893 nan 8.270 nan 0.000 0.487 380 G N -1.219 107.560 108.800 -0.035 0.000 2.539 380 G HA2 0.193 4.153 3.960 -0.000 0.000 0.215 380 G HA3 0.193 4.153 3.960 -0.000 0.000 0.215 380 G C 0.926 175.832 174.900 0.009 0.000 1.141 380 G CA 0.787 45.881 45.100 -0.010 0.000 0.806 380 G HN 0.550 nan 8.290 nan 0.000 0.533 381 G N -0.014 108.786 108.800 -0.001 0.000 2.218 381 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.216 381 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.216 381 G C 1.107 176.022 174.900 0.024 0.000 0.994 381 G CA 0.855 45.966 45.100 0.018 0.000 0.637 381 G HN 0.495 nan 8.290 nan 0.000 0.505 382 K N 1.217 121.628 120.400 0.018 0.000 2.074 382 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 382 K C 2.826 179.432 176.600 0.010 0.000 1.048 382 K CA 2.481 58.776 56.287 0.013 0.000 0.926 382 K CB -0.224 32.280 32.500 0.007 0.000 0.713 382 K HN 0.668 nan 8.250 nan 0.000 0.444 383 S N -0.438 115.264 115.700 0.003 0.000 2.436 383 S HA 0.027 4.496 4.470 -0.000 0.000 0.228 383 S C 2.068 176.681 174.600 0.022 0.000 1.014 383 S CA 0.607 58.815 58.200 0.013 0.000 0.950 383 S CB 0.110 63.309 63.200 -0.002 0.000 0.784 383 S HN 0.355 nan 8.310 nan 0.000 0.504 384 A N 2.330 125.158 122.820 0.014 0.000 1.969 384 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 384 A C 2.386 179.975 177.584 0.008 0.000 1.169 384 A CA 0.935 52.983 52.037 0.019 0.000 0.635 384 A CB -0.457 18.554 19.000 0.017 0.000 0.810 384 A HN 0.542 nan 8.150 nan 0.000 0.445 385 R N -0.691 119.811 120.500 0.003 0.000 2.153 385 R HA 0.072 4.412 4.340 -0.000 0.000 0.218 385 R C 2.313 178.583 176.300 -0.050 0.000 1.072 385 R CA 0.870 56.956 56.100 -0.024 0.000 0.990 385 R CB -0.310 29.984 30.300 -0.010 0.000 0.889 385 R HN 0.483 nan 8.270 nan 0.000 0.452 386 A N 0.565 123.380 122.820 -0.008 0.000 2.015 386 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 386 A C 2.130 179.757 177.584 0.073 0.000 1.163 386 A CA 1.038 53.084 52.037 0.015 0.000 0.646 386 A CB -0.055 18.980 19.000 0.058 0.000 0.806 386 A HN 0.101 nan 8.150 nan 0.000 0.448 387 V N -0.364 119.596 119.914 0.077 0.000 2.825 387 V HA -0.050 4.070 4.120 -0.000 0.000 0.246 387 V C 2.559 178.702 176.094 0.081 0.000 1.068 387 V CA 1.321 63.714 62.300 0.155 0.000 1.088 387 V CB -0.479 31.408 31.823 0.108 0.000 0.733 387 V HN 0.630 nan 8.190 nan 0.000 0.468 388 R N 1.333 121.804 120.500 -0.048 0.000 2.148 388 R HA -0.176 4.164 4.340 -0.000 0.000 0.227 388 R C 2.121 178.200 176.300 -0.367 0.000 1.103 388 R CA 1.691 57.683 56.100 -0.180 0.000 0.983 388 R CB -0.375 29.817 30.300 -0.180 0.000 0.874 388 R HN 0.491 nan 8.270 nan 0.000 0.451 389 K N 0.053 120.222 120.400 -0.384 0.000 2.144 389 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 389 K C 0.761 177.002 176.600 -0.598 0.000 1.047 389 K CA 2.025 57.963 56.287 -0.583 0.000 0.927 389 K CB -0.215 31.712 32.500 -0.955 0.000 0.716 389 K HN 0.324 nan 8.250 nan 0.000 0.454 390 Y N -1.065 119.219 120.300 -0.026 0.000 2.532 390 Y HA 0.230 4.780 4.550 -0.000 0.000 0.283 390 Y C -0.471 175.569 175.900 0.233 0.000 1.181 390 Y CA -0.550 57.627 58.100 0.129 0.000 1.256 390 Y CB -0.227 38.290 38.460 0.095 0.000 1.112 390 Y HN -0.077 nan 8.280 nan 0.000 0.521 391 F N -0.652 119.350 119.950 0.086 0.000 3.027 391 F HA -0.227 4.300 4.527 -0.000 0.000 0.276 391 F C -2.004 173.848 175.800 0.086 0.000 0.967 391 F CA -1.035 57.006 58.000 0.069 0.000 0.929 391 F CB -1.762 37.271 39.000 0.054 0.000 0.873 391 F HN 0.069 nan 8.300 nan 0.000 0.787 392 P HA -0.091 nan 4.420 nan 0.000 0.267 392 P C 0.696 178.068 177.300 0.120 0.000 1.195 392 P CA 0.434 63.615 63.100 0.135 0.000 0.773 392 P CB 0.761 32.516 31.700 0.091 0.000 0.837 393 D N 0.135 120.594 120.400 0.097 0.000 2.213 393 D HA 0.009 4.649 4.640 -0.000 0.000 0.205 393 D C 0.949 177.287 176.300 0.063 0.000 0.961 393 D CA 0.639 54.686 54.000 0.079 0.000 0.853 393 D CB -0.365 40.474 40.800 0.065 0.000 0.967 393 D HN 0.414 nan 8.370 nan 0.000 0.496 394 A N 1.071 123.926 122.820 0.057 0.000 2.511 394 A HA 0.232 4.552 4.320 -0.000 0.000 0.242 394 A C 0.664 178.275 177.584 0.045 0.000 1.069 394 A CA 0.105 52.170 52.037 0.047 0.000 0.763 394 A CB 0.109 19.136 19.000 0.044 0.000 1.001 394 A HN -0.014 nan 8.150 nan 0.000 0.498 395 T N 2.338 116.915 114.554 0.037 0.000 2.898 395 T HA 0.338 4.688 4.350 -0.000 0.000 0.301 395 T C 0.327 175.048 174.700 0.035 0.000 1.049 395 T CA 0.363 62.483 62.100 0.034 0.000 1.095 395 T CB 0.162 69.047 68.868 0.028 0.000 0.976 395 T HN 0.389 nan 8.240 nan 0.000 0.539 396 I N 3.466 124.056 120.570 0.035 0.000 2.312 396 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 396 I C -0.464 175.678 176.117 0.042 0.000 1.008 396 I CA -0.820 60.505 61.300 0.041 0.000 1.226 396 I CB 1.234 39.256 38.000 0.036 0.000 1.371 396 I HN 0.298 nan 8.210 nan 0.000 0.468 397 L N 7.786 129.039 121.223 0.050 0.000 2.260 397 L HA 0.569 4.909 4.340 -0.000 0.000 0.289 397 L C 0.037 176.948 176.870 0.068 0.000 1.057 397 L CA -0.180 54.691 54.840 0.051 0.000 0.811 397 L CB 0.829 42.915 42.059 0.045 0.000 1.184 397 L HN 0.640 nan 8.230 nan 0.000 0.429 398 A N 7.177 130.027 122.820 0.050 0.000 2.277 398 A HA 0.609 4.929 4.320 -0.000 0.000 0.318 398 A C -0.692 176.906 177.584 0.023 0.000 1.339 398 A CA -0.587 51.474 52.037 0.040 0.000 0.875 398 A CB 0.033 19.044 19.000 0.020 0.000 1.158 398 A HN 0.728 nan 8.150 nan 0.000 0.514 399 L N 2.069 123.312 121.223 0.033 0.000 2.326 399 L HA 0.708 5.048 4.340 -0.000 0.000 0.278 399 L C 0.536 177.376 176.870 -0.050 0.000 1.092 399 L CA -0.216 54.631 54.840 0.012 0.000 0.810 399 L CB 1.452 43.559 42.059 0.079 0.000 1.153 399 L HN 0.707 nan 8.230 nan 0.000 0.439 400 T N -0.673 113.849 114.554 -0.052 0.000 2.885 400 T HA 0.286 4.636 4.350 -0.000 0.000 0.322 400 T C 0.367 175.022 174.700 -0.074 0.000 1.387 400 T CA -0.037 62.018 62.100 -0.076 0.000 1.041 400 T CB 1.684 70.503 68.868 -0.080 0.000 1.287 400 T HN 0.736 nan 8.240 nan 0.000 0.491 401 T N 0.440 114.947 114.554 -0.078 0.000 3.069 401 T HA 0.289 4.639 4.350 -0.000 0.000 0.252 401 T C 0.515 175.165 174.700 -0.084 0.000 1.053 401 T CA -0.177 61.880 62.100 -0.072 0.000 0.964 401 T CB -0.523 68.308 68.868 -0.061 0.000 1.005 401 T HN 0.558 nan 8.240 nan 0.000 0.532 402 N N 1.208 119.850 118.700 -0.097 0.000 2.419 402 N HA 0.165 4.905 4.740 -0.000 0.000 0.264 402 N C 1.037 176.451 175.510 -0.160 0.000 1.031 402 N CA -0.423 52.559 53.050 -0.112 0.000 0.951 402 N CB 0.961 39.386 38.487 -0.103 0.000 1.101 402 N HN 0.196 nan 8.380 nan 0.000 0.488 403 E N 2.343 122.434 120.200 -0.181 0.000 2.152 403 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 403 E C 1.182 177.507 176.600 -0.458 0.000 0.983 403 E CA 0.870 57.083 56.400 -0.312 0.000 0.818 403 E CB 0.145 29.705 29.700 -0.234 0.000 0.758 403 E HN 0.571 nan 8.360 nan 0.000 0.467 404 K N 0.663 120.908 120.400 -0.259 0.000 2.097 404 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 404 K C 2.091 178.544 176.600 -0.244 0.000 1.050 404 K CA 1.381 57.547 56.287 -0.202 0.000 0.938 404 K CB 0.031 32.432 32.500 -0.165 0.000 0.718 404 K HN -0.052 nan 8.250 nan 0.000 0.442 405 T N 0.275 114.699 114.554 -0.216 0.000 2.777 405 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 405 T C 1.774 176.381 174.700 -0.155 0.000 1.040 405 T CA 1.147 63.144 62.100 -0.173 0.000 1.141 405 T CB -0.314 68.481 68.868 -0.122 0.000 0.868 405 T HN 0.376 nan 8.240 nan 0.000 0.444 406 A N 1.337 124.033 122.820 -0.207 0.000 1.883 406 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 406 A C 1.887 179.406 177.584 -0.109 0.000 1.186 406 A CA 2.030 53.961 52.037 -0.178 0.000 0.624 406 A CB -1.031 17.822 19.000 -0.246 0.000 0.822 406 A HN 0.709 nan 8.150 nan 0.000 0.444 407 H N -0.794 118.230 119.070 -0.078 0.000 2.270 407 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 407 H C 2.432 177.718 175.328 -0.070 0.000 1.077 407 H CA 1.581 57.585 56.048 -0.073 0.000 1.294 407 H CB -0.140 29.554 29.762 -0.114 0.000 1.371 407 H HN 0.602 nan 8.280 nan 0.000 0.491 408 Q N 0.620 120.375 119.800 -0.075 0.000 2.181 408 Q HA -0.132 4.208 4.340 -0.000 0.000 0.205 408 Q C 2.233 178.339 176.000 0.176 0.000 0.980 408 Q CA 1.068 56.796 55.803 -0.124 0.000 0.862 408 Q CB -0.076 28.399 28.738 -0.439 0.000 0.905 408 Q HN 0.482 nan 8.270 nan 0.000 0.429 409 L N 0.028 121.301 121.223 0.083 0.000 2.353 409 L HA -0.152 4.188 4.340 -0.000 0.000 0.220 409 L C 2.101 179.042 176.870 0.118 0.000 1.133 409 L CA 0.290 55.190 54.840 0.099 0.000 0.798 409 L CB -0.291 41.794 42.059 0.045 0.000 0.922 409 L HN 0.125 nan 8.230 nan 0.000 0.445 410 V N 0.008 120.005 119.914 0.139 0.000 2.469 410 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 410 V C 2.290 178.460 176.094 0.128 0.000 1.064 410 V CA 1.567 63.944 62.300 0.128 0.000 1.066 410 V CB -0.331 31.579 31.823 0.145 0.000 0.667 410 V HN 0.365 nan 8.190 nan 0.000 0.461 411 L N -0.331 121.005 121.223 0.188 0.000 2.465 411 L HA 0.080 4.420 4.340 -0.000 0.000 0.224 411 L C 1.316 178.223 176.870 0.061 0.000 1.145 411 L CA 1.012 55.913 54.840 0.101 0.000 0.834 411 L CB -0.351 41.724 42.059 0.026 0.000 0.944 411 L HN 0.212 nan 8.230 nan 0.000 0.451 412 S N 0.150 115.895 115.700 0.076 0.000 2.562 412 S HA 0.164 4.634 4.470 -0.000 0.000 0.275 412 S C -0.014 174.592 174.600 0.009 0.000 1.281 412 S CA -0.544 57.676 58.200 0.033 0.000 1.045 412 S CB 0.974 64.193 63.200 0.032 0.000 0.962 412 S HN 0.181 nan 8.310 nan 0.000 0.503 413 K N 1.535 121.921 120.400 -0.023 0.000 2.472 413 K HA 0.129 4.449 4.320 -0.000 0.000 0.280 413 K C 1.207 177.792 176.600 -0.025 0.000 1.028 413 K CA 0.863 57.133 56.287 -0.027 0.000 1.045 413 K CB -0.240 32.223 32.500 -0.063 0.000 0.902 413 K HN 0.914 nan 8.250 nan 0.000 0.478 414 G N 2.408 111.211 108.800 0.005 0.000 2.309 414 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.286 414 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.286 414 G C -0.023 174.886 174.900 0.015 0.000 1.002 414 G CA 0.490 45.599 45.100 0.015 0.000 0.786 414 G HN 0.442 nan 8.290 nan 0.000 0.511 415 V N -0.041 119.884 119.914 0.017 0.000 2.481 415 V HA 0.500 4.620 4.120 -0.000 0.000 0.286 415 V C 0.639 176.752 176.094 0.032 0.000 1.042 415 V CA -0.761 61.553 62.300 0.024 0.000 0.928 415 V CB 2.008 33.847 31.823 0.027 0.000 0.986 415 V HN 0.127 nan 8.190 nan 0.000 0.462 416 V N 7.721 127.654 119.914 0.032 0.000 2.318 416 V HA 0.321 4.440 4.120 -0.000 0.000 0.271 416 V C -2.022 174.090 176.094 0.031 0.000 1.030 416 V CA -1.539 60.781 62.300 0.033 0.000 0.844 416 V CB 1.488 33.329 31.823 0.029 0.000 1.015 416 V HN 0.767 nan 8.190 nan 0.000 0.460 417 P HA 0.314 nan 4.420 nan 0.000 0.284 417 P C -1.128 176.178 177.300 0.010 0.000 1.253 417 P CA -0.481 62.630 63.100 0.017 0.000 0.800 417 P CB 1.418 33.128 31.700 0.016 0.000 0.961 418 Q N 2.433 122.235 119.800 0.002 0.000 2.305 418 Q HA 0.491 4.831 4.340 -0.000 0.000 0.271 418 Q C -1.834 174.155 176.000 -0.018 0.000 1.046 418 Q CA -0.926 54.876 55.803 -0.001 0.000 0.798 418 Q CB 1.649 30.394 28.738 0.012 0.000 1.286 418 Q HN 0.297 nan 8.270 nan 0.000 0.435 419 L N 5.337 126.542 121.223 -0.031 0.000 2.290 419 L HA 0.620 4.960 4.340 -0.000 0.000 0.284 419 L C -0.940 175.913 176.870 -0.028 0.000 1.078 419 L CA -0.191 54.621 54.840 -0.047 0.000 0.815 419 L CB 1.314 43.331 42.059 -0.070 0.000 1.162 419 L HN 0.590 nan 8.230 nan 0.000 0.435 420 V N 2.379 122.275 119.914 -0.029 0.000 3.046 420 V HA 0.598 4.718 4.120 -0.000 0.000 0.316 420 V C 0.602 176.682 176.094 -0.023 0.000 1.104 420 V CA -0.249 62.041 62.300 -0.016 0.000 1.006 420 V CB 1.710 33.533 31.823 0.000 0.000 1.058 420 V HN 0.857 nan 8.190 nan 0.000 0.440 421 K N 0.792 121.182 120.400 -0.016 0.000 2.305 421 K HA 0.311 4.631 4.320 -0.000 0.000 0.199 421 K C 0.180 176.766 176.600 -0.022 0.000 1.047 421 K CA 0.942 57.217 56.287 -0.020 0.000 0.976 421 K CB 0.044 32.535 32.500 -0.016 0.000 0.765 421 K HN 0.960 nan 8.250 nan 0.000 0.474 422 E N 0.062 120.251 120.200 -0.018 0.000 2.392 422 E HA 0.395 4.745 4.350 -0.000 0.000 0.281 422 E C -1.368 175.223 176.600 -0.014 0.000 1.088 422 E CA -0.862 55.526 56.400 -0.021 0.000 0.850 422 E CB 0.988 30.676 29.700 -0.019 0.000 1.267 422 E HN 0.064 nan 8.360 nan 0.000 0.438 423 I N 2.200 122.756 120.570 -0.024 0.000 2.542 423 I HA 0.152 4.322 4.170 -0.000 0.000 0.278 423 I C 1.022 177.122 176.117 -0.029 0.000 1.069 423 I CA -0.460 60.830 61.300 -0.017 0.000 1.100 423 I CB 1.815 39.789 38.000 -0.042 0.000 1.204 423 I HN 0.898 nan 8.210 nan 0.000 0.470 424 T N 0.782 115.326 114.554 -0.018 0.000 2.951 424 T HA 0.042 4.392 4.350 -0.000 0.000 0.268 424 T C 0.715 175.399 174.700 -0.027 0.000 1.073 424 T CA 1.104 63.191 62.100 -0.022 0.000 1.134 424 T CB 0.084 68.943 68.868 -0.015 0.000 0.884 424 T HN 0.619 nan 8.240 nan 0.000 0.479 425 S N -1.927 113.755 115.700 -0.029 0.000 2.636 425 S HA 0.364 4.834 4.470 -0.000 0.000 0.266 425 S C 0.624 175.185 174.600 -0.065 0.000 1.147 425 S CA -0.085 58.090 58.200 -0.041 0.000 0.815 425 S CB 0.893 64.074 63.200 -0.031 0.000 1.119 425 S HN -0.009 nan 8.310 nan 0.000 0.470 426 T N 1.604 116.103 114.554 -0.091 0.000 2.684 426 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 426 T C 0.991 175.450 174.700 -0.403 0.000 1.036 426 T CA 2.082 64.058 62.100 -0.207 0.000 1.148 426 T CB -0.830 67.948 68.868 -0.149 0.000 0.863 426 T HN 0.695 nan 8.240 nan 0.000 0.436 427 D N 0.843 121.123 120.400 -0.200 0.000 2.182 427 D HA -0.104 4.536 4.640 -0.000 0.000 0.201 427 D C 1.909 178.144 176.300 -0.109 0.000 0.986 427 D CA 1.006 54.941 54.000 -0.109 0.000 0.847 427 D CB -0.495 40.319 40.800 0.024 0.000 0.942 427 D HN 0.392 nan 8.370 nan 0.000 0.467 428 D N -0.227 120.126 120.400 -0.079 0.000 2.104 428 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 428 D C 1.833 178.121 176.300 -0.021 0.000 0.994 428 D CA 0.623 54.603 54.000 -0.034 0.000 0.830 428 D CB -0.239 40.552 40.800 -0.014 0.000 0.959 428 D HN 0.073 nan 8.370 nan 0.000 0.452 429 F N 0.461 120.282 119.950 -0.215 0.000 2.069 429 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 429 F C 1.718 177.442 175.800 -0.128 0.000 1.113 429 F CA 1.400 59.287 58.000 -0.189 0.000 1.214 429 F CB -1.132 37.712 39.000 -0.258 0.000 0.978 429 F HN 0.032 nan 8.300 nan 0.000 0.474 430 Y N 0.851 120.890 120.300 -0.436 0.000 2.207 430 Y HA -0.200 4.350 4.550 -0.000 0.000 0.287 430 Y C 2.842 178.470 175.900 -0.454 0.000 1.156 430 Y CA 1.593 59.302 58.100 -0.652 0.000 1.182 430 Y CB -1.398 36.726 38.460 -0.560 0.000 0.979 430 Y HN 0.151 nan 8.280 nan 0.000 0.521 431 R N 0.580 121.006 120.500 -0.123 0.000 2.062 431 R HA -0.146 4.194 4.340 -0.000 0.000 0.229 431 R C 2.187 178.433 176.300 -0.089 0.000 1.128 431 R CA 1.354 57.403 56.100 -0.086 0.000 0.960 431 R CB -0.791 29.486 30.300 -0.037 0.000 0.855 431 R HN 0.394 nan 8.270 nan 0.000 0.432 432 L N 1.060 122.241 121.223 -0.069 0.000 1.970 432 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 432 L C 2.390 179.231 176.870 -0.049 0.000 1.071 432 L CA 2.570 57.393 54.840 -0.028 0.000 0.751 432 L CB -1.289 40.794 42.059 0.040 0.000 0.889 432 L HN 0.336 nan 8.230 nan 0.000 0.432 433 G N -1.027 107.702 108.800 -0.117 0.000 2.450 433 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 433 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 433 G C 1.690 176.501 174.900 -0.147 0.000 1.130 433 G CA 1.032 46.047 45.100 -0.142 0.000 0.760 433 G HN 0.450 nan 8.290 nan 0.000 0.557 434 K N 0.096 120.390 120.400 -0.177 0.000 2.057 434 K HA -0.009 4.311 4.320 -0.000 0.000 0.206 434 K C 2.430 178.984 176.600 -0.078 0.000 1.050 434 K CA 1.110 57.315 56.287 -0.136 0.000 0.935 434 K CB -0.127 32.285 32.500 -0.147 0.000 0.715 434 K HN 0.364 nan 8.250 nan 0.000 0.439 435 E N 0.992 121.156 120.200 -0.060 0.000 2.023 435 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 435 E C 2.080 178.663 176.600 -0.029 0.000 1.003 435 E CA 1.193 57.573 56.400 -0.035 0.000 0.809 435 E CB -0.135 29.551 29.700 -0.023 0.000 0.755 435 E HN 0.193 nan 8.360 nan 0.000 0.449 436 L N 0.574 121.783 121.223 -0.023 0.000 2.043 436 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 436 L C 2.647 179.501 176.870 -0.026 0.000 1.075 436 L CA 1.040 55.872 54.840 -0.014 0.000 0.752 436 L CB -0.676 41.385 42.059 0.003 0.000 0.891 436 L HN 0.179 nan 8.230 nan 0.000 0.432 437 A N 0.295 123.090 122.820 -0.041 0.000 1.892 437 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 437 A C 2.281 179.818 177.584 -0.078 0.000 1.188 437 A CA 1.845 53.849 52.037 -0.055 0.000 0.631 437 A CB -0.777 18.184 19.000 -0.065 0.000 0.822 437 A HN 0.370 nan 8.150 nan 0.000 0.447 438 L N -1.294 119.888 121.223 -0.069 0.000 2.005 438 L HA -0.230 4.110 4.340 -0.000 0.000 0.207 438 L C 2.935 179.778 176.870 -0.045 0.000 1.072 438 L CA 1.644 56.443 54.840 -0.069 0.000 0.744 438 L CB -0.577 41.461 42.059 -0.036 0.000 0.895 438 L HN 0.472 nan 8.230 nan 0.000 0.433 439 Q N -0.537 119.248 119.800 -0.026 0.000 2.181 439 Q HA -0.213 4.127 4.340 -0.000 0.000 0.205 439 Q C 2.183 178.177 176.000 -0.011 0.000 0.980 439 Q CA 1.836 57.633 55.803 -0.009 0.000 0.862 439 Q CB -0.150 28.586 28.738 -0.004 0.000 0.905 439 Q HN 0.555 nan 8.270 nan 0.000 0.429 440 S N -1.070 114.615 115.700 -0.025 0.000 2.603 440 S HA 0.089 4.559 4.470 -0.000 0.000 0.220 440 S C 1.430 176.016 174.600 -0.024 0.000 0.967 440 S CA 0.438 58.627 58.200 -0.018 0.000 0.920 440 S CB 0.085 63.274 63.200 -0.018 0.000 0.773 440 S HN 0.518 nan 8.310 nan 0.000 0.529 441 G N 1.190 109.962 108.800 -0.046 0.000 2.212 441 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.267 441 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.267 441 G C 0.504 175.354 174.900 -0.084 0.000 1.002 441 G CA 0.799 45.882 45.100 -0.028 0.000 0.729 441 G HN 0.595 nan 8.290 nan 0.000 0.517 442 L N -0.876 120.268 121.223 -0.131 0.000 2.509 442 L HA 0.550 4.890 4.340 -0.000 0.000 0.222 442 L C 1.399 178.152 176.870 -0.195 0.000 1.123 442 L CA 0.854 55.633 54.840 -0.102 0.000 0.856 442 L CB -0.110 41.920 42.059 -0.049 0.000 0.985 442 L HN 0.607 nan 8.230 nan 0.000 0.456 443 A N -1.521 121.044 122.820 -0.425 0.000 2.610 443 A HA 0.707 5.027 4.320 -0.000 0.000 0.291 443 A C -1.535 175.486 177.584 -0.938 0.000 1.086 443 A CA -0.539 51.219 52.037 -0.465 0.000 0.677 443 A CB 1.064 19.949 19.000 -0.191 0.000 1.278 443 A HN 0.192 nan 8.150 nan 0.000 0.414 444 H N 0.418 119.492 119.070 0.007 0.000 2.907 444 H HA 0.467 5.023 4.556 -0.000 0.000 0.361 444 H C -0.561 174.769 175.328 0.003 0.000 1.194 444 H CA -0.964 55.087 56.048 0.005 0.000 1.152 444 H CB 1.002 30.767 29.762 0.006 0.000 1.867 444 H HN 0.551 nan 8.280 nan 0.000 0.561 445 K N 0.999 121.481 120.400 0.137 0.000 2.530 445 K HA 0.050 4.370 4.320 -0.000 0.000 0.280 445 K C 0.821 177.461 176.600 0.066 0.000 1.004 445 K CA 1.335 57.665 56.287 0.071 0.000 1.071 445 K CB 0.132 32.667 32.500 0.057 0.000 0.876 445 K HN 1.032 nan 8.250 nan 0.000 0.487 446 G N 2.597 111.421 108.800 0.040 0.000 2.175 446 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.244 446 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.244 446 G C -0.177 174.740 174.900 0.030 0.000 0.982 446 G CA -0.053 45.066 45.100 0.032 0.000 0.641 446 G HN 0.634 nan 8.290 nan 0.000 0.527 447 D N 0.164 120.583 120.400 0.032 0.000 2.283 447 D HA 0.508 5.148 4.640 -0.000 0.000 0.248 447 D C 0.723 177.030 176.300 0.011 0.000 1.072 447 D CA -0.213 53.802 54.000 0.025 0.000 0.929 447 D CB 1.896 42.711 40.800 0.024 0.000 1.182 447 D HN 0.101 nan 8.370 nan 0.000 0.433 448 V N 1.704 121.623 119.914 0.009 0.000 2.607 448 V HA 0.297 4.417 4.120 -0.000 0.000 0.289 448 V C 0.416 176.513 176.094 0.005 0.000 1.053 448 V CA -0.390 61.912 62.300 0.004 0.000 0.996 448 V CB 1.765 33.586 31.823 -0.003 0.000 0.995 448 V HN 0.218 nan 8.190 nan 0.000 0.476 449 V N 4.740 124.661 119.914 0.011 0.000 2.789 449 V HA 0.512 4.632 4.120 -0.000 0.000 0.311 449 V C -0.641 175.467 176.094 0.024 0.000 1.073 449 V CA -0.478 61.828 62.300 0.010 0.000 0.921 449 V CB 2.621 34.439 31.823 -0.008 0.000 1.009 449 V HN 0.605 nan 8.190 nan 0.000 0.426 450 V N 6.102 126.032 119.914 0.027 0.000 2.384 450 V HA 0.523 4.643 4.120 -0.000 0.000 0.287 450 V C -0.080 176.057 176.094 0.072 0.000 1.020 450 V CA -0.442 61.880 62.300 0.037 0.000 0.850 450 V CB 1.583 33.425 31.823 0.031 0.000 0.987 450 V HN 0.767 nan 8.190 nan 0.000 0.436 451 M N 5.248 124.903 119.600 0.093 0.000 2.205 451 M HA 0.634 5.114 4.480 -0.000 0.000 0.344 451 M C -1.070 175.448 176.300 0.364 0.000 1.085 451 M CA -0.618 54.792 55.300 0.184 0.000 1.001 451 M CB 1.940 34.536 32.600 -0.008 0.000 1.626 451 M HN 0.348 nan 8.290 nan 0.000 0.442 452 V N 2.268 122.446 119.914 0.440 0.000 2.769 452 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 452 V C -0.179 176.068 176.094 0.255 0.000 1.061 452 V CA -0.257 62.234 62.300 0.319 0.000 0.931 452 V CB 2.253 34.181 31.823 0.175 0.000 1.010 452 V HN 1.121 nan 8.190 nan 0.000 0.433 453 S N 2.171 117.964 115.700 0.155 0.000 2.694 453 S HA 0.763 5.233 4.470 -0.000 0.000 0.273 453 S C -0.487 174.115 174.600 0.003 0.000 1.180 453 S CA -0.221 57.947 58.200 -0.052 0.000 0.864 453 S CB 1.394 64.495 63.200 -0.165 0.000 1.198 453 S HN 1.306 nan 8.310 nan 0.000 0.499 454 G N -0.244 108.525 108.800 -0.052 0.000 2.478 454 G HA2 0.752 4.712 3.960 -0.000 0.000 0.317 454 G HA3 0.752 4.712 3.960 -0.000 0.000 0.317 454 G C -0.659 174.224 174.900 -0.027 0.000 1.259 454 G CA -0.426 44.658 45.100 -0.027 0.000 0.933 454 G HN 1.270 nan 8.290 nan 0.000 0.478 455 A N 2.837 125.659 122.820 0.003 0.000 2.319 455 A HA 0.671 4.991 4.320 -0.000 0.000 0.310 455 A C 0.587 178.172 177.584 0.002 0.000 1.152 455 A CA -0.618 51.421 52.037 0.004 0.000 0.783 455 A CB 0.353 19.373 19.000 0.033 0.000 1.184 455 A HN 1.472 nan 8.150 nan 0.000 0.474 456 L N 1.278 122.496 121.223 -0.007 0.000 3.677 456 L HA -0.207 4.133 4.340 -0.000 0.000 0.464 456 L C -0.249 176.618 176.870 -0.005 0.000 1.278 456 L CA 0.455 55.292 54.840 -0.006 0.000 0.806 456 L CB -2.407 39.653 42.059 0.001 0.000 1.610 456 L HN 0.902 nan 8.230 nan 0.000 0.867 457 V N -2.807 117.100 119.914 -0.011 0.000 2.969 457 V HA 0.762 4.882 4.120 -0.000 0.000 0.304 457 V C -1.914 174.169 176.094 -0.018 0.000 1.192 457 V CA -1.506 60.788 62.300 -0.010 0.000 0.962 457 V CB 1.588 33.408 31.823 -0.005 0.000 1.045 457 V HN 0.124 nan 8.190 nan 0.000 0.428 458 P HA 0.239 nan 4.420 nan 0.000 0.270 458 P C 0.169 177.455 177.300 -0.023 0.000 1.223 458 P CA 0.106 63.194 63.100 -0.020 0.000 0.785 458 P CB 0.435 32.125 31.700 -0.016 0.000 0.923 459 S N -0.519 115.165 115.700 -0.028 0.000 2.558 459 S HA 0.330 4.800 4.470 -0.000 0.000 0.287 459 S C 1.360 175.948 174.600 -0.020 0.000 1.321 459 S CA 0.350 58.533 58.200 -0.030 0.000 1.048 459 S CB -0.309 62.871 63.200 -0.032 0.000 0.844 459 S HN 1.068 nan 8.310 nan 0.000 0.512 460 G N 1.089 109.878 108.800 -0.018 0.000 2.159 460 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.227 460 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.227 460 G C -0.052 174.845 174.900 -0.004 0.000 0.986 460 G CA -0.101 44.994 45.100 -0.009 0.000 0.651 460 G HN 1.088 nan 8.290 nan 0.000 0.523 461 T N 0.559 115.109 114.554 -0.006 0.000 2.921 461 T HA 0.621 4.971 4.350 -0.000 0.000 0.297 461 T C -0.550 174.151 174.700 0.001 0.000 1.013 461 T CA -0.227 61.874 62.100 0.002 0.000 0.990 461 T CB 2.212 71.082 68.868 0.002 0.000 1.023 461 T HN 0.233 nan 8.240 nan 0.000 0.447 462 T N 3.579 118.141 114.554 0.014 0.000 2.809 462 T HA 0.403 4.753 4.350 -0.000 0.000 0.296 462 T C 0.648 175.369 174.700 0.035 0.000 1.015 462 T CA -0.877 61.236 62.100 0.022 0.000 0.954 462 T CB 0.367 69.254 68.868 0.032 0.000 0.950 462 T HN 0.742 nan 8.240 nan 0.000 0.450 463 N N 0.767 119.490 118.700 0.038 0.000 2.184 463 N HA 0.091 4.831 4.740 -0.000 0.000 0.234 463 N C -0.662 174.884 175.510 0.061 0.000 1.282 463 N CA -0.463 52.613 53.050 0.043 0.000 0.877 463 N CB 0.907 39.413 38.487 0.031 0.000 1.184 463 N HN 0.381 nan 8.380 nan 0.000 0.510 464 T N 0.360 114.965 114.554 0.085 0.000 2.971 464 T HA 0.781 5.131 4.350 -0.000 0.000 0.304 464 T C -1.432 173.366 174.700 0.163 0.000 1.038 464 T CA -0.597 61.579 62.100 0.127 0.000 1.007 464 T CB 1.893 70.856 68.868 0.159 0.000 1.055 464 T HN 0.341 nan 8.240 nan 0.000 0.451 465 A N 1.868 124.771 122.820 0.137 0.000 2.398 465 A HA 0.890 5.210 4.320 -0.000 0.000 0.301 465 A C -0.498 177.119 177.584 0.055 0.000 1.041 465 A CA -0.802 51.303 52.037 0.113 0.000 0.711 465 A CB 1.817 20.854 19.000 0.062 0.000 1.240 465 A HN 0.724 nan 8.150 nan 0.000 0.420 466 S N 1.378 117.079 115.700 0.002 0.000 2.547 466 S HA 0.651 5.121 4.470 -0.000 0.000 0.281 466 S C -1.087 173.398 174.600 -0.192 0.000 1.118 466 S CA -0.391 57.694 58.200 -0.191 0.000 0.947 466 S CB 1.364 64.263 63.200 -0.501 0.000 1.053 466 S HN 0.989 nan 8.310 nan 0.000 0.482 467 V N 6.144 125.879 119.914 -0.298 0.000 2.481 467 V HA 0.586 4.706 4.120 -0.000 0.000 0.286 467 V C -0.280 175.565 176.094 -0.416 0.000 1.042 467 V CA -0.373 61.794 62.300 -0.221 0.000 0.928 467 V CB 1.260 32.991 31.823 -0.154 0.000 0.986 467 V HN 0.896 nan 8.190 nan 0.000 0.462 468 H N 2.055 121.035 119.070 -0.150 0.000 2.928 468 H HA 0.551 5.107 4.556 -0.000 0.000 0.371 468 H C -1.288 173.988 175.328 -0.086 0.000 1.186 468 H CA -0.647 55.320 56.048 -0.134 0.000 1.134 468 H CB 2.537 32.203 29.762 -0.160 0.000 1.824 468 H HN 0.382 nan 8.280 nan 0.000 0.554 469 V N 3.367 123.320 119.914 0.065 0.000 2.427 469 V HA 0.177 4.297 4.120 -0.000 0.000 0.286 469 V C 0.845 176.957 176.094 0.030 0.000 1.034 469 V CA -0.604 61.713 62.300 0.029 0.000 0.893 469 V CB 1.449 33.278 31.823 0.009 0.000 0.982 469 V HN 0.458 nan 8.190 nan 0.000 0.452 470 L N 0.000 121.231 121.223 0.014 0.000 2.949 470 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 470 L CA 0.000 54.840 54.840 0.001 0.000 0.813 470 L CB 0.000 42.052 42.059 -0.012 0.000 0.961 470 L HN 0.000 nan 8.230 nan 0.000 0.502