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 3cw2_1_A DATA FIRST_RESID 2 DATA SEQUENCE AWPKVQPEVN IGVVGHVDHG KTTLVQAITG IWTSKHSEEL KRGMTIKLGY DATA SEQUENCE AETNIGVcES cKKPEAYVTE PScKScGSDD EPKFLRRISF IDAPGHEVLM DATA SEQUENCE ATMLSGAALM DGAILVVAAN EPFPQPQTRE HFVALGIIGV KNLIIVQNKV DATA SEQUENCE DVVSKEEALS QYRQIKQFTK GTWAENVPII PVSALHKINI DSLIEGIEEY DATA SEQUENCE IKTPYRDLSQ KPVMLVIRSF DVNKPGTQFN ELKGGVIGGS IIQGLFKVDQ DATA SEQUENCE EIKVLPGLRV EKQGKVSYEP IFTKISSIRF GDEEFKEAKP GGLVAIGTYL DATA SEQUENCE DPSLTKADNL LGSIITLADA EVPVLWNIRI KYNLLERVVG AKEMLKVDPI DATA SEQUENCE RAKETLMLSV GSSTTLGIVT SVKKDEIEVE LRRPVAVWSN NIRTVISRQI DATA SEQUENCE AGRWRMIGWG LVEI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.498 177.584 -0.143 0.000 1.274 2 A CA 0.000 51.888 52.037 -0.249 0.000 0.836 2 A CB 0.000 18.754 19.000 -0.410 0.000 0.831 3 W N 1.302 122.530 121.300 -0.119 0.000 2.237 3 W HA 0.573 5.233 4.660 0.001 0.000 0.335 3 W C -2.317 173.993 176.519 -0.348 0.000 1.230 3 W CA -1.891 55.282 57.345 -0.287 0.000 1.253 3 W CB -1.059 28.139 29.460 -0.437 0.000 1.129 3 W HN 0.327 nan 8.180 nan 0.000 0.590 4 P HA 0.056 nan 4.420 nan 0.000 0.269 4 P C -0.450 176.745 177.300 -0.176 0.000 1.215 4 P CA -0.248 62.748 63.100 -0.173 0.000 0.780 4 P CB 0.638 32.245 31.700 -0.155 0.000 0.898 5 K N 2.397 122.770 120.400 -0.045 0.000 2.219 5 K HA 0.294 4.614 4.320 0.001 0.000 0.280 5 K C -0.189 176.538 176.600 0.211 0.000 1.104 5 K CA -0.482 55.829 56.287 0.041 0.000 0.925 5 K CB -0.323 32.165 32.500 -0.020 0.000 1.261 5 K HN 0.336 nan 8.250 nan 0.000 0.445 6 V N 0.812 120.849 119.914 0.205 0.000 3.234 6 V HA 0.480 4.600 4.120 0.001 0.000 0.317 6 V C -0.486 175.608 176.094 -0.000 0.000 1.147 6 V CA -0.999 61.415 62.300 0.190 0.000 1.037 6 V CB 1.462 33.342 31.823 0.094 0.000 1.148 6 V HN 0.764 nan 8.190 nan 0.000 0.455 7 Q N 0.002 119.502 119.800 -0.501 0.000 2.204 7 Q HA 0.629 4.969 4.340 0.001 0.000 0.254 7 Q C -2.816 172.877 176.000 -0.512 0.000 0.981 7 Q CA -2.162 53.102 55.803 -0.899 0.000 0.897 7 Q CB 1.215 28.814 28.738 -1.899 0.000 1.273 7 Q HN 0.526 nan 8.270 nan 0.000 0.464 8 P HA -0.066 nan 4.420 nan 0.000 0.267 8 P C -0.609 176.556 177.300 -0.225 0.000 1.209 8 P CA 0.364 63.344 63.100 -0.201 0.000 0.763 8 P CB 0.382 32.063 31.700 -0.032 0.000 0.816 9 E N 1.771 121.867 120.200 -0.174 0.000 2.526 9 E HA 0.205 4.555 4.350 0.001 0.000 0.208 9 E C -0.455 176.073 176.600 -0.119 0.000 0.997 9 E CA -0.159 56.150 56.400 -0.151 0.000 0.961 9 E CB 0.401 30.014 29.700 -0.144 0.000 1.030 9 E HN 0.072 nan 8.360 nan 0.000 0.483 10 V N 1.622 121.458 119.914 -0.131 0.000 2.760 10 V HA 0.304 4.424 4.120 0.001 0.000 0.309 10 V C -1.108 174.899 176.094 -0.146 0.000 1.077 10 V CA -1.152 61.071 62.300 -0.127 0.000 0.910 10 V CB 1.908 33.643 31.823 -0.147 0.000 1.008 10 V HN 0.162 nan 8.190 nan 0.000 0.424 11 N N 4.093 122.735 118.700 -0.097 0.000 2.424 11 N HA 0.562 5.302 4.740 0.001 0.000 0.271 11 N C -1.076 174.387 175.510 -0.079 0.000 0.985 11 N CA -0.463 52.539 53.050 -0.081 0.000 0.921 11 N CB 1.863 40.343 38.487 -0.012 0.000 1.149 11 N HN 0.423 nan 8.380 nan 0.000 0.492 12 I N 0.960 121.464 120.570 -0.111 0.000 2.377 12 I HA 0.365 4.535 4.170 0.001 0.000 0.293 12 I C 1.085 177.252 176.117 0.084 0.000 0.987 12 I CA -0.923 60.374 61.300 -0.005 0.000 1.185 12 I CB 1.038 39.060 38.000 0.037 0.000 1.341 12 I HN 0.351 nan 8.210 nan 0.000 0.455 13 G N 5.525 114.371 108.800 0.077 0.000 2.338 13 G HA2 0.479 4.439 3.960 0.001 0.000 0.298 13 G HA3 0.479 4.439 3.960 0.001 0.000 0.298 13 G C -0.572 174.374 174.900 0.076 0.000 1.140 13 G CA -0.256 44.882 45.100 0.064 0.000 0.860 13 G HN 0.347 nan 8.290 nan 0.000 0.470 14 V N 3.514 123.463 119.914 0.058 0.000 2.318 14 V HA 0.334 4.454 4.120 0.001 0.000 0.271 14 V C 0.196 176.287 176.094 -0.006 0.000 1.030 14 V CA -0.546 61.776 62.300 0.036 0.000 0.844 14 V CB 0.979 32.817 31.823 0.025 0.000 1.015 14 V HN 0.704 nan 8.190 nan 0.000 0.460 15 V N 2.738 122.664 119.914 0.020 0.000 2.376 15 V HA 1.068 5.189 4.120 0.001 0.000 0.287 15 V C 0.234 176.422 176.094 0.156 0.000 1.015 15 V CA -0.017 62.298 62.300 0.025 0.000 0.834 15 V CB 0.891 32.762 31.823 0.081 0.000 1.001 15 V HN 0.819 nan 8.190 nan 0.000 0.428 16 G N 2.182 111.075 108.800 0.154 0.000 2.782 16 G HA2 0.547 4.508 3.960 0.001 0.000 0.304 16 G HA3 0.547 4.508 3.960 0.001 0.000 0.304 16 G C -0.451 174.565 174.900 0.194 0.000 1.315 16 G CA 0.084 45.268 45.100 0.140 0.000 0.791 16 G HN 0.759 nan 8.290 nan 0.000 0.519 17 H N -1.583 117.481 119.070 -0.010 0.000 3.329 17 H HA 0.177 4.733 4.556 0.001 0.000 0.234 17 H C 0.612 175.906 175.328 -0.057 0.000 0.957 17 H CA 0.473 56.504 56.048 -0.029 0.000 1.066 17 H CB 1.168 30.884 29.762 -0.077 0.000 1.435 17 H HN 0.383 nan 8.280 nan 0.000 0.513 18 V N 3.621 123.518 119.914 -0.028 0.000 2.540 18 V HA 0.003 4.123 4.120 0.001 0.000 0.297 18 V C -0.183 175.805 176.094 -0.178 0.000 1.024 18 V CA 0.108 62.343 62.300 -0.107 0.000 1.105 18 V CB 0.415 32.168 31.823 -0.116 0.000 0.938 18 V HN 0.397 nan 8.190 nan 0.000 0.482 19 D N 6.878 127.168 120.400 -0.183 0.000 2.434 19 D HA 0.033 4.673 4.640 0.001 0.000 0.252 19 D C 1.328 177.499 176.300 -0.215 0.000 1.185 19 D CA 1.529 55.451 54.000 -0.129 0.000 0.886 19 D CB 0.073 40.849 40.800 -0.040 0.000 1.148 19 D HN 1.056 nan 8.370 nan 0.000 0.483 20 H N 1.067 120.110 119.070 -0.044 0.000 4.210 20 H HA -0.284 4.272 4.556 0.001 0.000 0.165 20 H C 1.073 176.368 175.328 -0.056 0.000 0.866 20 H CA 1.529 57.551 56.048 -0.043 0.000 1.239 20 H CB -1.576 28.168 29.762 -0.030 0.000 0.978 20 H HN 0.468 nan 8.280 nan 0.000 0.391 21 G N 1.955 110.509 108.800 -0.410 0.000 2.433 21 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 21 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 21 G C 1.642 176.469 174.900 -0.122 0.000 1.186 21 G CA 1.877 46.804 45.100 -0.287 0.000 0.779 21 G HN 0.642 nan 8.290 nan 0.000 0.543 22 K N 0.496 120.839 120.400 -0.095 0.000 2.147 22 K HA 0.018 4.339 4.320 0.001 0.000 0.205 22 K C 2.175 178.736 176.600 -0.066 0.000 1.049 22 K CA 1.817 58.065 56.287 -0.065 0.000 0.936 22 K CB -1.325 31.149 32.500 -0.042 0.000 0.722 22 K HN 0.251 nan 8.250 nan 0.000 0.446 23 T N 0.994 115.523 114.554 -0.041 0.000 2.732 23 T HA -0.137 4.213 4.350 0.001 0.000 0.261 23 T C 1.970 176.622 174.700 -0.080 0.000 1.040 23 T CA 2.128 64.206 62.100 -0.036 0.000 1.145 23 T CB -0.740 68.139 68.868 0.018 0.000 0.866 23 T HN 0.668 nan 8.240 nan 0.000 0.427 24 T N 1.394 115.923 114.554 -0.042 0.000 2.833 24 T HA -0.037 4.313 4.350 0.001 0.000 0.269 24 T C 1.939 176.552 174.700 -0.146 0.000 1.054 24 T CA 0.768 62.806 62.100 -0.104 0.000 1.135 24 T CB -0.670 68.198 68.868 -0.001 0.000 0.869 24 T HN 0.137 nan 8.240 nan 0.000 0.466 25 L N 1.334 122.483 121.223 -0.122 0.000 2.187 25 L HA 0.009 4.349 4.340 0.001 0.000 0.213 25 L C 2.482 179.211 176.870 -0.235 0.000 1.100 25 L CA 1.195 55.944 54.840 -0.151 0.000 0.765 25 L CB -0.562 41.420 42.059 -0.128 0.000 0.904 25 L HN 0.207 nan 8.230 nan 0.000 0.437 26 V N -0.761 119.001 119.914 -0.252 0.000 2.283 26 V HA -0.284 3.836 4.120 0.001 0.000 0.243 26 V C 2.394 178.310 176.094 -0.297 0.000 1.039 26 V CA 1.926 64.021 62.300 -0.342 0.000 1.016 26 V CB -0.801 30.878 31.823 -0.239 0.000 0.650 26 V HN 0.516 nan 8.190 nan 0.000 0.449 27 Q N 0.266 119.906 119.800 -0.266 0.000 2.291 27 Q HA -0.102 4.238 4.340 0.001 0.000 0.206 27 Q C 2.272 178.135 176.000 -0.229 0.000 0.976 27 Q CA 1.413 57.042 55.803 -0.290 0.000 0.875 27 Q CB -0.407 28.044 28.738 -0.479 0.000 0.927 27 Q HN 0.680 nan 8.270 nan 0.000 0.450 28 A N 0.484 123.180 122.820 -0.207 0.000 2.014 28 A HA -0.088 4.233 4.320 0.001 0.000 0.218 28 A C 1.852 179.364 177.584 -0.120 0.000 1.163 28 A CA 0.923 52.873 52.037 -0.146 0.000 0.652 28 A CB -0.157 18.768 19.000 -0.125 0.000 0.808 28 A HN 0.279 nan 8.150 nan 0.000 0.449 29 I N -1.064 119.403 120.570 -0.172 0.000 2.726 29 I HA -0.078 4.093 4.170 0.001 0.000 0.243 29 I C 2.788 178.872 176.117 -0.055 0.000 1.082 29 I CA 1.400 62.623 61.300 -0.129 0.000 1.447 29 I CB -0.708 37.133 38.000 -0.265 0.000 1.250 29 I HN 0.422 nan 8.210 nan 0.000 0.453 30 T N -1.151 113.350 114.554 -0.089 0.000 2.706 30 T HA 0.116 4.466 4.350 0.001 0.000 0.255 30 T C 1.660 176.354 174.700 -0.009 0.000 1.048 30 T CA 1.164 63.268 62.100 0.008 0.000 1.153 30 T CB -0.448 68.437 68.868 0.029 0.000 0.865 30 T HN 0.556 nan 8.240 nan 0.000 0.414 31 G N 1.152 109.908 108.800 -0.074 0.000 2.192 31 G HA2 -0.095 3.865 3.960 0.001 0.000 0.193 31 G HA3 -0.095 3.865 3.960 0.001 0.000 0.193 31 G C 0.018 174.881 174.900 -0.061 0.000 0.999 31 G CA -0.179 44.871 45.100 -0.083 0.000 0.659 31 G HN 0.673 nan 8.290 nan 0.000 0.503 32 I N 0.905 121.456 120.570 -0.032 0.000 2.352 32 I HA 0.317 4.487 4.170 0.001 0.000 0.290 32 I C 0.318 176.460 176.117 0.042 0.000 1.036 32 I CA -0.806 60.534 61.300 0.067 0.000 1.336 32 I CB 0.461 38.508 38.000 0.078 0.000 1.407 32 I HN 0.080 nan 8.210 nan 0.000 0.497 33 W N 5.419 126.739 121.300 0.034 0.000 2.655 33 W HA 0.107 4.767 4.660 0.001 0.000 0.333 33 W C 1.231 177.784 176.519 0.057 0.000 1.382 33 W CA -0.331 57.034 57.345 0.034 0.000 1.398 33 W CB 0.216 29.694 29.460 0.030 0.000 1.481 33 W HN 0.495 nan 8.180 nan 0.000 0.526 34 T N -1.148 113.517 114.554 0.185 0.000 3.287 34 T HA 0.146 4.496 4.350 0.001 0.000 0.253 34 T C 0.990 175.788 174.700 0.164 0.000 0.975 34 T CA 0.113 62.301 62.100 0.147 0.000 0.912 34 T CB -0.278 68.630 68.868 0.067 0.000 1.071 34 T HN 0.307 nan 8.240 nan 0.000 0.578 35 S N 0.180 116.031 115.700 0.252 0.000 3.386 35 S HA 0.427 4.897 4.470 0.001 0.000 0.181 35 S C 0.088 174.829 174.600 0.234 0.000 0.763 35 S CA -0.443 57.890 58.200 0.222 0.000 0.847 35 S CB -0.089 63.255 63.200 0.240 0.000 0.980 35 S HN 0.139 nan 8.310 nan 0.000 0.676 36 K N 3.892 124.406 120.400 0.190 0.000 2.267 36 K HA 0.359 4.679 4.320 0.001 0.000 0.282 36 K C -0.454 176.183 176.600 0.063 0.000 1.078 36 K CA -0.341 55.977 56.287 0.051 0.000 0.903 36 K CB 0.150 32.597 32.500 -0.088 0.000 1.111 36 K HN 0.677 nan 8.250 nan 0.000 0.475 37 H N -0.131 118.966 119.070 0.045 0.000 2.472 37 H HA 0.290 4.846 4.556 0.001 0.000 0.335 37 H C -0.199 175.144 175.328 0.025 0.000 1.136 37 H CA -0.707 55.379 56.048 0.062 0.000 1.264 37 H CB 1.359 31.163 29.762 0.070 0.000 1.486 37 H HN 0.439 nan 8.280 nan 0.000 0.517 38 S N 0.493 116.255 115.700 0.104 0.000 2.561 38 S HA 0.028 4.498 4.470 0.001 0.000 0.245 38 S C 0.884 175.553 174.600 0.115 0.000 1.001 38 S CA -0.350 57.878 58.200 0.046 0.000 1.002 38 S CB 0.079 63.295 63.200 0.028 0.000 0.805 38 S HN 0.765 nan 8.310 nan 0.000 0.458 39 E N 1.160 121.490 120.200 0.217 0.000 2.251 39 E HA 0.022 4.373 4.350 0.001 0.000 0.194 39 E C 1.848 178.554 176.600 0.178 0.000 0.964 39 E CA 0.167 56.682 56.400 0.191 0.000 0.868 39 E CB 0.060 29.866 29.700 0.177 0.000 0.828 39 E HN 0.466 nan 8.360 nan 0.000 0.481 40 E N 0.550 120.947 120.200 0.329 0.000 2.152 40 E HA -0.088 4.262 4.350 0.001 0.000 0.192 40 E C 0.505 177.145 176.600 0.067 0.000 0.983 40 E CA 0.356 56.868 56.400 0.187 0.000 0.818 40 E CB 0.217 30.104 29.700 0.311 0.000 0.758 40 E HN 0.191 nan 8.360 nan 0.000 0.467 41 L N 1.653 122.898 121.223 0.036 0.000 2.449 41 L HA 0.174 4.514 4.340 0.001 0.000 0.255 41 L C 0.514 177.397 176.870 0.021 0.000 1.167 41 L CA 0.640 55.481 54.840 0.001 0.000 1.090 41 L CB 0.002 42.036 42.059 -0.042 0.000 1.385 41 L HN 0.098 nan 8.230 nan 0.000 0.411 42 K N 1.106 121.526 120.400 0.033 0.000 2.116 42 K HA 0.038 4.358 4.320 0.001 0.000 0.125 42 K C 0.934 177.560 176.600 0.043 0.000 2.138 42 K CA 0.070 56.381 56.287 0.041 0.000 1.184 42 K CB 0.627 33.163 32.500 0.061 0.000 2.323 42 K HN 0.447 nan 8.250 nan 0.000 0.469 43 R N -1.341 119.185 120.500 0.044 0.000 4.494 43 R HA 0.277 4.617 4.340 0.001 0.000 0.124 43 R C 0.962 177.286 176.300 0.039 0.000 1.588 43 R CA 0.872 57.003 56.100 0.051 0.000 1.083 43 R CB 0.631 30.977 30.300 0.077 0.000 1.313 43 R HN 0.109 nan 8.270 nan 0.000 0.426 44 G N 0.558 109.368 108.800 0.016 0.000 2.574 44 G HA2 0.167 4.127 3.960 0.001 0.000 0.158 44 G HA3 0.167 4.127 3.960 0.001 0.000 0.158 44 G C 0.341 175.173 174.900 -0.113 0.000 1.494 44 G CA 0.444 45.528 45.100 -0.026 0.000 0.742 44 G HN 0.357 nan 8.290 nan 0.000 0.718 45 M N 0.736 120.158 119.600 -0.296 0.000 4.919 45 M HA 0.364 4.844 4.480 0.001 0.000 0.591 45 M C -0.421 175.575 176.300 -0.506 0.000 2.207 45 M CA -0.331 54.775 55.300 -0.324 0.000 0.471 45 M CB 0.950 33.377 32.600 -0.288 0.000 1.465 45 M HN 0.123 nan 8.290 nan 0.000 0.636 46 T N 3.546 117.854 114.554 -0.411 0.000 2.992 46 T HA 0.617 4.967 4.350 0.001 0.000 0.299 46 T C -0.356 174.245 174.700 -0.165 0.000 1.027 46 T CA -0.170 61.747 62.100 -0.305 0.000 1.001 46 T CB -0.576 68.246 68.868 -0.077 0.000 1.005 46 T HN 0.597 nan 8.240 nan 0.000 0.599 47 I N 2.098 122.565 120.570 -0.173 0.000 2.560 47 I HA 0.563 4.734 4.170 0.001 0.000 0.283 47 I C -0.353 175.719 176.117 -0.074 0.000 1.115 47 I CA -0.957 60.235 61.300 -0.181 0.000 1.066 47 I CB 1.642 39.438 38.000 -0.340 0.000 1.221 47 I HN 0.186 nan 8.210 nan 0.000 0.450 48 K N 4.269 124.635 120.400 -0.057 0.000 2.639 48 K HA 0.563 4.884 4.320 0.001 0.000 0.242 48 K C 0.220 176.755 176.600 -0.108 0.000 1.386 48 K CA 0.311 56.583 56.287 -0.026 0.000 0.780 48 K CB 0.442 32.949 32.500 0.012 0.000 1.790 48 K HN 0.512 nan 8.250 nan 0.000 0.369 49 L N 0.499 121.692 121.223 -0.051 0.000 2.365 49 L HA 0.439 4.779 4.340 0.001 0.000 0.267 49 L C 0.678 177.563 176.870 0.025 0.000 1.033 49 L CA -1.011 53.810 54.840 -0.033 0.000 0.802 49 L CB 1.096 43.155 42.059 0.000 0.000 1.267 49 L HN 0.342 nan 8.230 nan 0.000 0.457 50 G N 0.293 109.114 108.800 0.036 0.000 2.404 50 G HA2 0.066 4.027 3.960 0.001 0.000 0.289 50 G HA3 0.066 4.027 3.960 0.001 0.000 0.289 50 G C -1.033 173.957 174.900 0.151 0.000 1.074 50 G CA 0.202 45.346 45.100 0.073 0.000 1.210 50 G HN 0.483 nan 8.290 nan 0.000 0.434 51 Y N 3.358 123.685 120.300 0.044 0.000 2.417 51 Y HA 0.579 5.130 4.550 0.001 0.000 0.336 51 Y C 0.116 176.080 175.900 0.107 0.000 0.961 51 Y CA -0.832 57.311 58.100 0.072 0.000 1.215 51 Y CB 0.896 39.388 38.460 0.053 0.000 1.120 51 Y HN 0.673 nan 8.280 nan 0.000 0.499 52 A N 5.563 128.198 122.820 -0.309 0.000 2.384 52 A HA 0.822 5.142 4.320 0.001 0.000 0.312 52 A C -1.352 176.056 177.584 -0.293 0.000 1.113 52 A CA -0.776 51.130 52.037 -0.219 0.000 0.779 52 A CB 1.341 20.347 19.000 0.010 0.000 1.307 52 A HN 0.786 nan 8.150 nan 0.000 0.436 53 E N -0.205 119.909 120.200 -0.142 0.000 2.352 53 E HA 0.659 5.010 4.350 0.001 0.000 0.280 53 E C -1.212 175.428 176.600 0.067 0.000 0.930 53 E CA -0.716 55.636 56.400 -0.080 0.000 0.765 53 E CB 2.043 31.652 29.700 -0.152 0.000 1.219 53 E HN 0.501 nan 8.360 nan 0.000 0.434 54 T N 1.261 115.879 114.554 0.107 0.000 2.932 54 T HA 0.327 4.677 4.350 0.001 0.000 0.318 54 T C -1.323 173.455 174.700 0.131 0.000 1.265 54 T CA -0.788 61.400 62.100 0.146 0.000 1.036 54 T CB 1.260 70.237 68.868 0.182 0.000 1.209 54 T HN 0.481 nan 8.240 nan 0.000 0.484 55 N N 2.563 121.373 118.700 0.182 0.000 2.503 55 N HA 0.402 5.143 4.740 0.001 0.000 0.267 55 N C -0.606 174.932 175.510 0.047 0.000 1.214 55 N CA -0.283 52.879 53.050 0.187 0.000 0.959 55 N CB 0.508 39.211 38.487 0.361 0.000 1.142 55 N HN 0.483 nan 8.380 nan 0.000 0.455 56 I N 1.108 121.584 120.570 -0.157 0.000 2.448 56 I HA 0.372 4.543 4.170 0.001 0.000 0.281 56 I C 0.730 176.570 176.117 -0.462 0.000 1.027 56 I CA -0.445 60.728 61.300 -0.211 0.000 1.111 56 I CB 0.734 38.650 38.000 -0.140 0.000 1.236 56 I HN 0.413 nan 8.210 nan 0.000 0.452 57 G N 4.317 112.872 108.800 -0.408 0.000 2.735 57 G HA2 0.681 4.641 3.960 0.001 0.000 0.301 57 G HA3 0.681 4.641 3.960 0.001 0.000 0.301 57 G C -1.385 173.479 174.900 -0.059 0.000 1.279 57 G CA -0.672 44.194 45.100 -0.390 0.000 1.019 57 G HN 0.309 nan 8.290 nan 0.000 0.497 58 V N -0.744 119.140 119.914 -0.049 0.000 2.569 58 V HA 0.359 4.480 4.120 0.001 0.000 0.301 58 V C -0.542 175.518 176.094 -0.057 0.000 1.044 58 V CA -0.803 61.397 62.300 -0.166 0.000 0.874 58 V CB 1.208 32.777 31.823 -0.424 0.000 1.002 58 V HN 0.840 nan 8.190 nan 0.000 0.424 59 c N 7.515 126.090 118.600 -0.041 0.000 2.896 59 c HA 0.236 4.806 4.570 0.001 0.000 0.499 59 c C 1.064 175.123 174.090 -0.052 0.000 1.022 59 c CA -0.512 55.817 56.329 -0.000 0.000 1.127 59 c CB -2.125 40.398 42.510 0.023 0.000 1.452 59 c HN 0.920 nan 8.230 nan 0.000 0.580 60 E N 0.729 120.895 120.200 -0.057 0.000 2.438 60 E HA 0.141 4.491 4.350 0.001 0.000 0.261 60 E C 0.410 176.991 176.600 -0.032 0.000 1.103 60 E CA 0.138 56.499 56.400 -0.064 0.000 0.959 60 E CB 0.251 29.921 29.700 -0.050 0.000 0.958 60 E HN 0.438 nan 8.360 nan 0.000 0.447 61 S N -1.050 114.632 115.700 -0.030 0.000 3.867 61 S HA -0.162 4.308 4.470 0.001 0.000 0.334 61 S C -0.674 173.918 174.600 -0.014 0.000 1.069 61 S CA 0.632 58.822 58.200 -0.016 0.000 0.977 61 S CB -1.963 61.233 63.200 -0.007 0.000 0.889 61 S HN 0.743 nan 8.310 nan 0.000 0.484 62 c N 0.054 118.641 118.600 -0.022 0.000 3.285 62 c HA 0.701 5.271 4.570 0.001 0.000 0.325 62 c C -0.048 174.034 174.090 -0.013 0.000 1.304 62 c CA -0.899 55.422 56.329 -0.014 0.000 1.319 62 c CB 1.600 44.104 42.510 -0.011 0.000 1.640 62 c HN 0.580 nan 8.230 nan 0.000 0.477 63 K N 1.977 122.378 120.400 0.001 0.000 2.273 63 K HA 0.641 4.961 4.320 0.001 0.000 0.240 63 K C -0.426 176.189 176.600 0.025 0.000 1.056 63 K CA 0.259 56.553 56.287 0.011 0.000 0.910 63 K CB 0.436 32.944 32.500 0.014 0.000 1.196 63 K HN 0.700 nan 8.250 nan 0.000 0.509 64 K N 0.192 120.618 120.400 0.043 0.000 2.433 64 K HA 0.427 4.747 4.320 0.001 0.000 0.252 64 K C -2.492 174.145 176.600 0.063 0.000 1.015 64 K CA -1.923 54.410 56.287 0.076 0.000 0.860 64 K CB 1.300 33.873 32.500 0.122 0.000 1.359 64 K HN 0.344 nan 8.250 nan 0.000 0.452 65 P HA 0.160 nan 4.420 nan 0.000 0.262 65 P C -0.899 176.463 177.300 0.102 0.000 1.620 65 P CA -0.126 63.039 63.100 0.108 0.000 1.089 65 P CB 0.212 31.958 31.700 0.077 0.000 1.601 66 E N 1.110 121.377 120.200 0.111 0.000 2.560 66 E HA 0.111 4.461 4.350 0.001 0.000 0.190 66 E C 1.156 177.803 176.600 0.078 0.000 0.956 66 E CA -0.196 56.256 56.400 0.086 0.000 1.515 66 E CB -0.500 29.233 29.700 0.055 0.000 1.930 66 E HN 0.182 nan 8.360 nan 0.000 0.939 67 A N 1.368 124.220 122.820 0.053 0.000 1.898 67 A HA -0.009 4.311 4.320 0.001 0.000 0.216 67 A C 0.661 178.230 177.584 -0.025 0.000 1.181 67 A CA 0.677 52.698 52.037 -0.025 0.000 0.620 67 A CB -0.933 17.991 19.000 -0.127 0.000 0.819 67 A HN 0.284 nan 8.150 nan 0.000 0.442 68 Y N 0.853 121.176 120.300 0.038 0.000 2.784 68 Y HA 0.265 4.816 4.550 0.001 0.000 0.355 68 Y C 0.685 176.620 175.900 0.060 0.000 1.198 68 Y CA 0.174 58.295 58.100 0.035 0.000 1.588 68 Y CB -0.020 38.450 38.460 0.017 0.000 1.220 68 Y HN 0.267 nan 8.280 nan 0.000 0.517 69 V N 0.078 120.117 119.914 0.209 0.000 3.096 69 V HA 0.587 4.707 4.120 0.001 0.000 0.319 69 V C 0.497 176.733 176.094 0.238 0.000 1.103 69 V CA -0.035 62.392 62.300 0.212 0.000 1.016 69 V CB 1.701 33.659 31.823 0.224 0.000 1.090 69 V HN 0.655 nan 8.190 nan 0.000 0.449 70 T N -1.907 112.794 114.554 0.245 0.000 3.085 70 T HA 0.314 4.665 4.350 0.001 0.000 0.241 70 T C 0.520 175.472 174.700 0.421 0.000 0.988 70 T CA 0.207 62.460 62.100 0.255 0.000 1.117 70 T CB -0.089 68.885 68.868 0.176 0.000 0.978 70 T HN 0.633 nan 8.240 nan 0.000 0.454 71 E N 2.206 122.607 120.200 0.336 0.000 2.283 71 E HA 0.395 4.745 4.350 0.001 0.000 0.267 71 E C -2.074 174.628 176.600 0.171 0.000 1.045 71 E CA -2.737 53.832 56.400 0.281 0.000 0.884 71 E CB 1.072 30.849 29.700 0.128 0.000 1.106 71 E HN 0.043 nan 8.360 nan 0.000 0.408 72 P HA -0.039 nan 4.420 nan 0.000 0.231 72 P C -0.681 176.460 177.300 -0.264 0.000 1.158 72 P CA 0.763 63.433 63.100 -0.716 0.000 0.763 72 P CB 0.353 31.567 31.700 -0.811 0.000 0.805 73 S N -0.373 115.268 115.700 -0.098 0.000 2.455 73 S HA 0.062 4.533 4.470 0.001 0.000 0.278 73 S C 0.718 175.326 174.600 0.014 0.000 1.216 73 S CA -0.287 57.889 58.200 -0.040 0.000 1.055 73 S CB -0.171 63.021 63.200 -0.014 0.000 0.939 73 S HN 0.170 nan 8.310 nan 0.000 0.494 74 c N 4.595 123.200 118.600 0.008 0.000 2.389 74 c HA 0.140 4.711 4.570 0.001 0.000 0.416 74 c C 1.656 175.763 174.090 0.029 0.000 1.304 74 c CA -0.427 55.922 56.329 0.034 0.000 1.675 74 c CB -1.823 40.702 42.510 0.025 0.000 1.989 74 c HN 0.723 nan 8.230 nan 0.000 0.591 75 K N -0.029 120.389 120.400 0.030 0.000 2.400 75 K HA 0.038 4.358 4.320 0.001 0.000 0.194 75 K C 2.083 178.703 176.600 0.034 0.000 1.033 75 K CA 0.374 56.676 56.287 0.026 0.000 1.021 75 K CB -0.289 32.224 32.500 0.022 0.000 0.808 75 K HN 0.446 nan 8.250 nan 0.000 0.505 76 S N 0.542 116.271 115.700 0.048 0.000 2.377 76 S HA -0.112 4.358 4.470 0.001 0.000 0.223 76 S C 1.904 176.531 174.600 0.045 0.000 1.030 76 S CA 0.968 59.200 58.200 0.052 0.000 0.970 76 S CB -0.261 62.983 63.200 0.072 0.000 0.830 76 S HN 0.494 nan 8.310 nan 0.000 0.473 77 c N 1.872 120.499 118.600 0.044 0.000 2.562 77 c HA 0.469 5.039 4.570 0.001 0.000 0.266 77 c C 1.337 175.442 174.090 0.025 0.000 1.382 77 c CA 0.351 56.700 56.329 0.034 0.000 1.742 77 c CB -1.989 40.539 42.510 0.031 0.000 1.812 77 c HN 0.833 nan 8.230 nan 0.000 0.559 78 G N 1.714 110.528 108.800 0.024 0.000 2.462 78 G HA2 -0.043 3.917 3.960 0.001 0.000 0.283 78 G HA3 -0.043 3.917 3.960 0.001 0.000 0.283 78 G C -0.205 174.703 174.900 0.013 0.000 1.043 78 G CA 0.626 45.736 45.100 0.017 0.000 1.300 78 G HN 1.142 nan 8.290 nan 0.000 0.518 79 S N -0.446 115.261 115.700 0.012 0.000 2.565 79 S HA 0.477 4.948 4.470 0.001 0.000 0.274 79 S C -1.050 173.551 174.600 0.003 0.000 1.144 79 S CA -0.085 58.119 58.200 0.007 0.000 0.849 79 S CB 1.694 64.900 63.200 0.009 0.000 1.103 79 S HN 0.498 nan 8.310 nan 0.000 0.455 80 D N 2.173 122.572 120.400 -0.002 0.000 3.110 80 D HA 0.382 5.023 4.640 0.001 0.000 0.254 80 D C -0.570 175.724 176.300 -0.011 0.000 1.283 80 D CA 0.054 54.049 54.000 -0.008 0.000 0.944 80 D CB -0.073 40.721 40.800 -0.009 0.000 1.066 80 D HN 0.403 nan 8.370 nan 0.000 0.496 81 D N -0.229 120.166 120.400 -0.008 0.000 2.654 81 D HA 0.362 5.002 4.640 0.001 0.000 0.255 81 D C -0.429 175.861 176.300 -0.016 0.000 1.101 81 D CA -0.481 53.515 54.000 -0.006 0.000 1.116 81 D CB 1.069 41.873 40.800 0.007 0.000 1.348 81 D HN -0.022 nan 8.370 nan 0.000 0.609 82 E N 0.815 121.011 120.200 -0.006 0.000 2.265 82 E HA 0.377 4.727 4.350 0.001 0.000 0.262 82 E C -2.497 174.148 176.600 0.075 0.000 0.889 82 E CA -1.656 54.733 56.400 -0.018 0.000 0.789 82 E CB 1.970 31.632 29.700 -0.063 0.000 1.221 82 E HN 0.101 nan 8.360 nan 0.000 0.414 83 P HA 0.174 nan 4.420 nan 0.000 0.277 83 P C -0.498 177.045 177.300 0.406 0.000 1.276 83 P CA -0.385 62.884 63.100 0.282 0.000 0.788 83 P CB 0.721 32.672 31.700 0.417 0.000 1.114 84 K N 0.381 120.946 120.400 0.274 0.000 2.144 84 K HA 0.280 4.600 4.320 0.001 0.000 0.270 84 K C -0.946 175.752 176.600 0.162 0.000 1.005 84 K CA -0.558 55.873 56.287 0.239 0.000 0.932 84 K CB 0.280 32.831 32.500 0.086 0.000 1.021 84 K HN 0.357 nan 8.250 nan 0.000 0.462 85 F N 4.758 124.648 119.950 -0.100 0.000 2.394 85 F HA 0.189 4.716 4.527 0.000 0.000 0.340 85 F C 0.321 175.944 175.800 -0.295 0.000 1.105 85 F CA -0.398 57.283 58.000 -0.530 0.000 1.124 85 F CB 0.688 39.383 39.000 -0.508 0.000 1.145 85 F HN 0.492 nan 8.300 nan 0.000 0.505 86 L N 4.284 124.823 121.223 -1.139 0.000 2.488 86 L HA 0.379 4.720 4.340 0.001 0.000 0.186 86 L C -0.112 176.148 176.870 -1.017 0.000 1.124 86 L CA -0.187 54.185 54.840 -0.779 0.000 0.838 86 L CB 0.060 41.849 42.059 -0.450 0.000 1.107 86 L HN 0.636 nan 8.230 nan 0.000 0.494 87 R N -0.180 119.552 120.500 -1.280 0.000 2.765 87 R HA 0.394 4.734 4.340 0.001 0.000 0.277 87 R C -1.220 174.806 176.300 -0.456 0.000 1.028 87 R CA -0.876 54.765 56.100 -0.765 0.000 0.860 87 R CB 1.538 31.613 30.300 -0.375 0.000 1.270 87 R HN -0.090 nan 8.270 nan 0.000 0.484 88 R N 2.721 123.163 120.500 -0.098 0.000 2.295 88 R HA 0.520 4.861 4.340 0.001 0.000 0.324 88 R C -0.320 175.913 176.300 -0.112 0.000 0.968 88 R CA -0.686 55.410 56.100 -0.006 0.000 0.837 88 R CB 0.890 31.252 30.300 0.104 0.000 1.133 88 R HN 0.685 nan 8.270 nan 0.000 0.450 89 I N 0.769 121.248 120.570 -0.151 0.000 2.750 89 I HA 0.641 4.811 4.170 0.001 0.000 0.308 89 I C -0.777 175.089 176.117 -0.419 0.000 1.016 89 I CA -0.842 60.283 61.300 -0.293 0.000 1.098 89 I CB 2.396 40.180 38.000 -0.359 0.000 1.279 89 I HN 0.708 nan 8.210 nan 0.000 0.454 90 S N 2.844 118.209 115.700 -0.558 0.000 2.599 90 S HA 0.795 5.266 4.470 0.001 0.000 0.287 90 S C -1.043 173.098 174.600 -0.766 0.000 1.105 90 S CA -0.644 57.231 58.200 -0.542 0.000 0.899 90 S CB 1.666 64.747 63.200 -0.199 0.000 1.100 90 S HN 0.578 nan 8.310 nan 0.000 0.482 91 F N 0.067 119.961 119.950 -0.093 0.000 2.593 91 F HA 0.667 5.195 4.527 0.001 0.000 0.320 91 F C -0.360 175.432 175.800 -0.013 0.000 1.060 91 F CA -1.240 56.733 58.000 -0.045 0.000 0.940 91 F CB 1.477 40.443 39.000 -0.057 0.000 1.268 91 F HN 0.359 nan 8.300 nan 0.000 0.475 92 I N 1.781 122.471 120.570 0.200 0.000 2.448 92 I HA 0.125 4.295 4.170 0.001 0.000 0.281 92 I C 0.405 176.573 176.117 0.086 0.000 1.027 92 I CA -0.395 60.985 61.300 0.134 0.000 1.111 92 I CB 1.071 39.131 38.000 0.101 0.000 1.236 92 I HN 0.673 nan 8.210 nan 0.000 0.452 93 D N 6.059 126.497 120.400 0.064 0.000 2.117 93 D HA -0.109 4.532 4.640 0.001 0.000 0.197 93 D C 1.196 177.493 176.300 -0.004 0.000 0.987 93 D CA 1.811 55.823 54.000 0.020 0.000 0.829 93 D CB 0.482 41.289 40.800 0.011 0.000 0.961 93 D HN 0.723 nan 8.370 nan 0.000 0.460 94 A N -0.825 121.992 122.820 -0.005 0.000 2.815 94 A HA -0.140 4.180 4.320 0.001 0.000 0.292 94 A C -1.598 175.954 177.584 -0.053 0.000 1.457 94 A CA 0.777 52.794 52.037 -0.033 0.000 0.735 94 A CB -2.226 16.747 19.000 -0.045 0.000 1.056 94 A HN 0.371 nan 8.150 nan 0.000 0.474 95 P HA 0.311 nan 4.420 nan 0.000 0.213 95 P C 1.665 178.887 177.300 -0.131 0.000 1.176 95 P CA 1.544 64.598 63.100 -0.076 0.000 0.894 95 P CB -0.132 31.528 31.700 -0.067 0.000 0.771 96 G N -0.151 108.506 108.800 -0.239 0.000 2.556 96 G HA2 -0.206 3.755 3.960 0.001 0.000 0.283 96 G HA3 -0.206 3.755 3.960 0.001 0.000 0.283 96 G C -0.577 173.912 174.900 -0.686 0.000 1.177 96 G CA 0.046 44.876 45.100 -0.450 0.000 0.978 96 G HN 0.487 nan 8.290 nan 0.000 0.554 97 H N 0.602 119.685 119.070 0.022 0.000 3.177 97 H HA 0.463 5.019 4.556 0.001 0.000 0.314 97 H C 0.625 175.981 175.328 0.046 0.000 1.059 97 H CA 0.442 56.509 56.048 0.030 0.000 1.515 97 H CB 1.520 31.297 29.762 0.025 0.000 1.672 97 H HN 0.987 nan 8.280 nan 0.000 0.514 98 E N 0.463 120.743 120.200 0.133 0.000 4.129 98 E HA -0.212 4.139 4.350 0.001 0.000 0.360 98 E C -0.606 176.049 176.600 0.091 0.000 0.598 98 E CA 1.096 57.572 56.400 0.127 0.000 1.308 98 E CB -1.105 28.691 29.700 0.160 0.000 1.777 98 E HN 0.326 nan 8.360 nan 0.000 0.397 99 V N 1.929 121.880 119.914 0.061 0.000 2.479 99 V HA 0.336 4.456 4.120 0.001 0.000 0.281 99 V C 0.911 177.012 176.094 0.012 0.000 1.031 99 V CA 0.749 63.069 62.300 0.034 0.000 1.038 99 V CB 0.599 32.430 31.823 0.014 0.000 0.981 99 V HN 0.346 nan 8.190 nan 0.000 0.478 100 L N 7.015 128.248 121.223 0.018 0.000 3.358 100 L HA 0.417 4.758 4.340 0.001 0.000 0.301 100 L C 0.683 177.563 176.870 0.017 0.000 1.276 100 L CA 0.043 54.892 54.840 0.016 0.000 1.028 100 L CB 0.490 42.574 42.059 0.041 0.000 1.421 100 L HN 0.783 nan 8.230 nan 0.000 0.604 101 M N -1.588 118.008 119.600 -0.008 0.000 2.121 101 M HA 0.063 4.543 4.480 0.001 0.000 0.395 101 M C 0.901 177.198 176.300 -0.005 0.000 1.075 101 M CA 0.947 56.238 55.300 -0.015 0.000 1.118 101 M CB -0.338 32.295 32.600 0.054 0.000 2.304 101 M HN 0.051 nan 8.290 nan 0.000 0.909 102 A N 1.016 123.845 122.820 0.015 0.000 2.225 102 A HA 0.012 4.333 4.320 0.001 0.000 0.215 102 A C 1.662 179.257 177.584 0.019 0.000 1.164 102 A CA 2.264 54.319 52.037 0.028 0.000 0.710 102 A CB -0.989 18.041 19.000 0.049 0.000 0.780 102 A HN 0.725 nan 8.150 nan 0.000 0.473 103 T N -0.953 113.601 114.554 -0.001 0.000 2.809 103 T HA 0.017 4.367 4.350 0.001 0.000 0.260 103 T C 1.263 175.959 174.700 -0.006 0.000 1.039 103 T CA 0.752 62.851 62.100 -0.003 0.000 1.141 103 T CB -0.654 68.203 68.868 -0.018 0.000 0.869 103 T HN 0.593 nan 8.240 nan 0.000 0.437 104 M N 2.536 122.122 119.600 -0.024 0.000 3.268 104 M HA 0.477 4.958 4.480 0.001 0.000 0.249 104 M C -0.537 175.750 176.300 -0.022 0.000 1.527 104 M CA -0.062 55.221 55.300 -0.028 0.000 1.645 104 M CB -0.687 31.882 32.600 -0.051 0.000 1.193 104 M HN 0.265 nan 8.290 nan 0.000 0.534 105 L N -1.569 119.654 121.223 -0.000 0.000 3.902 105 L HA 0.372 4.712 4.340 0.001 0.000 0.375 105 L C 0.654 177.547 176.870 0.037 0.000 1.252 105 L CA 0.138 54.987 54.840 0.015 0.000 1.221 105 L CB -0.685 41.392 42.059 0.030 0.000 1.484 105 L HN 0.319 nan 8.230 nan 0.000 0.620 106 S N 0.121 115.842 115.700 0.035 0.000 2.458 106 S HA 0.717 5.187 4.470 0.001 0.000 0.223 106 S C 1.127 175.774 174.600 0.078 0.000 1.019 106 S CA 0.659 58.892 58.200 0.055 0.000 0.937 106 S CB 0.507 63.730 63.200 0.037 0.000 0.788 106 S HN 0.896 nan 8.310 nan 0.000 0.511 107 G N 0.371 109.206 108.800 0.058 0.000 2.439 107 G HA2 0.409 4.370 3.960 0.001 0.000 0.186 107 G HA3 0.409 4.370 3.960 0.001 0.000 0.186 107 G C 0.003 174.925 174.900 0.037 0.000 1.260 107 G CA 0.047 45.190 45.100 0.072 0.000 1.020 107 G HN 0.388 nan 8.290 nan 0.000 0.470 108 A N -1.470 121.375 122.820 0.041 0.000 2.140 108 A HA 0.759 5.079 4.320 0.001 0.000 0.199 108 A C 2.095 179.689 177.584 0.017 0.000 1.416 108 A CA 1.522 53.572 52.037 0.021 0.000 1.018 108 A CB -0.200 18.814 19.000 0.023 0.000 1.117 108 A HN 2.060 nan 8.150 nan 0.000 0.480 109 A N -0.236 122.596 122.820 0.020 0.000 2.167 109 A HA 0.275 4.595 4.320 0.001 0.000 0.214 109 A C 1.597 179.183 177.584 0.003 0.000 1.151 109 A CA 1.020 53.060 52.037 0.004 0.000 0.735 109 A CB -0.416 18.579 19.000 -0.008 0.000 0.802 109 A HN 0.368 nan 8.150 nan 0.000 0.467 110 L N -0.619 120.609 121.223 0.009 0.000 2.446 110 L HA 0.191 4.531 4.340 0.001 0.000 0.219 110 L C 0.801 177.680 176.870 0.015 0.000 1.116 110 L CA 0.631 55.478 54.840 0.012 0.000 0.844 110 L CB -0.076 41.989 42.059 0.012 0.000 0.970 110 L HN 0.507 nan 8.230 nan 0.000 0.457 111 M N -2.639 116.966 119.600 0.009 0.000 2.032 111 M HA 0.381 4.861 4.480 0.001 0.000 0.221 111 M C -0.978 175.325 176.300 0.005 0.000 0.941 111 M CA -0.121 55.184 55.300 0.008 0.000 0.895 111 M CB 0.521 33.126 32.600 0.008 0.000 2.146 111 M HN -0.147 nan 8.290 nan 0.000 0.366 112 D N 1.788 122.187 120.400 -0.002 0.000 2.347 112 D HA 0.288 4.929 4.640 0.001 0.000 0.215 112 D C 1.111 177.416 176.300 0.009 0.000 0.976 112 D CA 1.200 55.199 54.000 -0.001 0.000 0.884 112 D CB 0.531 41.323 40.800 -0.014 0.000 0.915 112 D HN 0.820 nan 8.370 nan 0.000 0.526 113 G N -0.860 107.948 108.800 0.013 0.000 2.692 113 G HA2 0.681 4.641 3.960 0.001 0.000 0.291 113 G HA3 0.681 4.641 3.960 0.001 0.000 0.291 113 G C -1.802 173.128 174.900 0.049 0.000 1.423 113 G CA -0.531 44.589 45.100 0.034 0.000 0.843 113 G HN 0.120 nan 8.290 nan 0.000 0.486 114 A N 0.152 123.015 122.820 0.071 0.000 2.414 114 A HA 0.839 5.160 4.320 0.001 0.000 0.306 114 A C -1.000 176.639 177.584 0.092 0.000 1.054 114 A CA -0.591 51.495 52.037 0.081 0.000 0.724 114 A CB 1.260 20.311 19.000 0.085 0.000 1.267 114 A HN 0.705 nan 8.150 nan 0.000 0.418 115 I N 2.554 123.181 120.570 0.094 0.000 2.439 115 I HA 0.258 4.428 4.170 0.001 0.000 0.283 115 I C -0.770 175.394 176.117 0.079 0.000 1.023 115 I CA -0.242 61.108 61.300 0.083 0.000 1.100 115 I CB 1.617 39.667 38.000 0.083 0.000 1.238 115 I HN 0.551 nan 8.210 nan 0.000 0.445 116 L N 7.576 128.851 121.223 0.086 0.000 2.312 116 L HA 0.337 4.677 4.340 0.001 0.000 0.287 116 L C -0.046 176.856 176.870 0.053 0.000 1.091 116 L CA -0.355 54.545 54.840 0.099 0.000 0.846 116 L CB 1.103 43.246 42.059 0.141 0.000 1.219 116 L HN 0.415 nan 8.230 nan 0.000 0.439 117 V N 6.512 126.449 119.914 0.038 0.000 2.508 117 V HA 0.154 4.274 4.120 0.001 0.000 0.281 117 V C 0.320 176.404 176.094 -0.018 0.000 1.041 117 V CA -0.127 62.175 62.300 0.004 0.000 1.016 117 V CB 1.743 33.559 31.823 -0.013 0.000 0.984 117 V HN 0.482 nan 8.190 nan 0.000 0.478 118 V N 7.357 127.252 119.914 -0.032 0.000 3.185 118 V HA 0.576 4.696 4.120 0.001 0.000 0.305 118 V C 1.215 177.268 176.094 -0.069 0.000 1.090 118 V CA 0.694 62.952 62.300 -0.070 0.000 1.107 118 V CB 1.321 33.124 31.823 -0.033 0.000 1.061 118 V HN 1.272 nan 8.190 nan 0.000 0.480 119 A N 3.718 126.481 122.820 -0.095 0.000 3.789 119 A HA 0.659 4.979 4.320 0.001 0.000 0.163 119 A C 1.327 178.880 177.584 -0.052 0.000 1.580 119 A CA 1.384 53.383 52.037 -0.063 0.000 0.919 119 A CB -0.731 18.228 19.000 -0.069 0.000 1.117 119 A HN 1.768 nan 8.150 nan 0.000 0.453 120 A N -3.743 119.053 122.820 -0.041 0.000 1.461 120 A HA 0.210 4.530 4.320 0.001 0.000 0.209 120 A C 1.426 179.001 177.584 -0.015 0.000 1.769 120 A CA 0.843 52.863 52.037 -0.028 0.000 1.456 120 A CB -0.448 18.531 19.000 -0.036 0.000 1.363 120 A HN 0.431 nan 8.150 nan 0.000 0.395 121 N N 0.573 119.264 118.700 -0.014 0.000 2.499 121 N HA 0.158 4.899 4.740 0.001 0.000 0.182 121 N C -0.074 175.430 175.510 -0.010 0.000 1.034 121 N CA 0.571 53.617 53.050 -0.008 0.000 0.882 121 N CB -0.227 38.257 38.487 -0.004 0.000 1.125 121 N HN 0.504 nan 8.380 nan 0.000 0.436 122 E N 1.401 121.589 120.200 -0.020 0.000 2.508 122 E HA -0.027 4.323 4.350 0.001 0.000 0.266 122 E C -1.376 175.211 176.600 -0.022 0.000 1.010 122 E CA -0.593 55.789 56.400 -0.030 0.000 0.955 122 E CB 0.025 29.690 29.700 -0.058 0.000 0.946 122 E HN 0.125 nan 8.360 nan 0.000 0.454 123 P HA -0.205 nan 4.420 nan 0.000 0.209 123 P C 0.470 177.818 177.300 0.081 0.000 1.167 123 P CA 1.576 64.688 63.100 0.020 0.000 0.941 123 P CB 0.065 31.773 31.700 0.013 0.000 0.787 124 F N -3.460 116.394 119.950 -0.160 0.000 1.793 124 F HA 0.358 4.885 4.527 0.001 0.000 0.236 124 F C -2.323 173.289 175.800 -0.313 0.000 1.208 124 F CA -0.504 57.356 58.000 -0.233 0.000 1.311 124 F CB -0.858 37.981 39.000 -0.268 0.000 1.820 124 F HN -0.187 nan 8.300 nan 0.000 0.373 125 P HA 0.365 nan 4.420 nan 0.000 0.279 125 P C -1.313 175.680 177.300 -0.513 0.000 1.282 125 P CA -0.059 62.594 63.100 -0.746 0.000 0.788 125 P CB 0.770 32.185 31.700 -0.475 0.000 1.139 126 Q N -1.128 118.348 119.800 -0.540 0.000 2.626 126 Q HA 0.268 4.608 4.340 0.001 0.000 0.300 126 Q C -2.186 173.490 176.000 -0.540 0.000 0.988 126 Q CA -1.589 53.825 55.803 -0.649 0.000 0.761 126 Q CB 0.617 28.704 28.738 -1.084 0.000 1.494 126 Q HN 0.083 nan 8.270 nan 0.000 0.439 127 P HA -0.070 nan 4.420 nan 0.000 0.228 127 P C 0.699 177.924 177.300 -0.126 0.000 1.151 127 P CA 1.349 64.321 63.100 -0.214 0.000 0.770 127 P CB 0.591 32.275 31.700 -0.025 0.000 0.786 128 Q N -2.546 117.146 119.800 -0.180 0.000 2.532 128 Q HA 0.097 4.437 4.340 0.001 0.000 0.247 128 Q C 1.986 177.792 176.000 -0.324 0.000 0.872 128 Q CA 1.014 56.832 55.803 0.025 0.000 0.963 128 Q CB -0.844 28.157 28.738 0.438 0.000 1.159 128 Q HN 0.116 nan 8.270 nan 0.000 0.598 129 T N 1.988 116.305 114.554 -0.394 0.000 2.652 129 T HA -0.177 4.173 4.350 0.001 0.000 0.267 129 T C 1.819 176.231 174.700 -0.479 0.000 1.039 129 T CA 1.696 63.492 62.100 -0.506 0.000 1.153 129 T CB -0.101 68.460 68.868 -0.512 0.000 0.863 129 T HN 0.187 nan 8.240 nan 0.000 0.428 130 R N 0.796 121.065 120.500 -0.386 0.000 2.148 130 R HA -0.032 4.309 4.340 0.001 0.000 0.223 130 R C 2.389 178.690 176.300 0.002 0.000 1.088 130 R CA 1.149 57.152 56.100 -0.162 0.000 0.985 130 R CB -0.063 30.165 30.300 -0.120 0.000 0.880 130 R HN 0.583 nan 8.270 nan 0.000 0.451 131 E N 0.546 120.684 120.200 -0.103 0.000 2.001 131 E HA -0.238 4.113 4.350 0.001 0.000 0.195 131 E C 1.123 177.750 176.600 0.044 0.000 1.002 131 E CA 1.724 58.114 56.400 -0.016 0.000 0.819 131 E CB -0.228 29.464 29.700 -0.014 0.000 0.769 131 E HN 0.672 nan 8.360 nan 0.000 0.454 132 H N -0.935 118.191 119.070 0.094 0.000 2.524 132 H HA 0.111 4.668 4.556 0.001 0.000 0.280 132 H C 1.355 176.760 175.328 0.128 0.000 1.018 132 H CA 0.197 56.291 56.048 0.076 0.000 1.165 132 H CB -0.567 29.221 29.762 0.044 0.000 1.411 132 H HN 0.244 nan 8.280 nan 0.000 0.569 133 F N 0.994 120.922 119.950 -0.036 0.000 2.051 133 F HA -0.167 4.360 4.527 0.001 0.000 0.296 133 F C 2.049 178.016 175.800 0.277 0.000 1.122 133 F CA 1.516 59.582 58.000 0.110 0.000 1.201 133 F CB -0.791 38.280 39.000 0.118 0.000 0.978 133 F HN 0.168 nan 8.300 nan 0.000 0.472 134 V N 1.038 120.940 119.914 -0.020 0.000 3.141 134 V HA -0.041 4.080 4.120 0.001 0.000 0.265 134 V C 2.279 178.289 176.094 -0.140 0.000 1.126 134 V CA 1.290 63.544 62.300 -0.078 0.000 1.141 134 V CB -1.149 30.741 31.823 0.111 0.000 0.743 134 V HN 0.548 nan 8.190 nan 0.000 0.492 135 A N -0.529 122.259 122.820 -0.052 0.000 2.178 135 A HA -0.045 4.276 4.320 0.001 0.000 0.218 135 A C 1.934 179.433 177.584 -0.142 0.000 1.157 135 A CA 1.180 53.158 52.037 -0.098 0.000 0.689 135 A CB -0.263 18.753 19.000 0.027 0.000 0.787 135 A HN 0.474 nan 8.150 nan 0.000 0.465 136 L N -1.400 119.765 121.223 -0.097 0.000 2.307 136 L HA 0.052 4.392 4.340 0.001 0.000 0.211 136 L C 2.314 179.027 176.870 -0.263 0.000 1.099 136 L CA 1.733 56.527 54.840 -0.077 0.000 0.816 136 L CB -1.499 40.608 42.059 0.082 0.000 0.952 136 L HN 0.453 nan 8.230 nan 0.000 0.455 137 G N -1.409 107.049 108.800 -0.571 0.000 3.141 137 G HA2 0.110 4.070 3.960 0.001 0.000 0.218 137 G HA3 0.110 4.070 3.960 0.001 0.000 0.218 137 G C 1.519 175.918 174.900 -0.836 0.000 1.170 137 G CA -0.063 44.257 45.100 -1.299 0.000 0.769 137 G HN 0.259 nan 8.290 nan 0.000 0.546 138 I N -0.614 119.578 120.570 -0.631 0.000 3.039 138 I HA 0.272 4.443 4.170 0.001 0.000 0.270 138 I C 2.076 177.780 176.117 -0.689 0.000 1.150 138 I CA 0.248 61.078 61.300 -0.783 0.000 1.448 138 I CB 0.301 37.767 38.000 -0.890 0.000 1.197 138 I HN 0.093 nan 8.210 nan 0.000 0.450 139 I N 0.354 120.658 120.570 -0.444 0.000 3.226 139 I HA 0.151 4.321 4.170 0.001 0.000 0.277 139 I C 0.569 176.574 176.117 -0.186 0.000 1.243 139 I CA 0.653 61.788 61.300 -0.274 0.000 1.459 139 I CB 0.525 38.417 38.000 -0.179 0.000 1.093 139 I HN 0.342 nan 8.210 nan 0.000 0.453 140 G N 1.379 110.048 108.800 -0.220 0.000 2.978 140 G HA2 -0.085 3.875 3.960 0.001 0.000 0.193 140 G HA3 -0.085 3.875 3.960 0.001 0.000 0.193 140 G C -0.772 174.067 174.900 -0.101 0.000 1.038 140 G CA -0.343 44.662 45.100 -0.159 0.000 1.103 140 G HN 0.064 nan 8.290 nan 0.000 0.574 141 V N 1.318 121.167 119.914 -0.109 0.000 2.439 141 V HA 0.359 4.479 4.120 0.001 0.000 0.277 141 V C 0.804 176.945 176.094 0.078 0.000 1.008 141 V CA -0.194 62.103 62.300 -0.006 0.000 0.846 141 V CB 1.320 33.156 31.823 0.021 0.000 1.031 141 V HN 0.665 nan 8.190 nan 0.000 0.441 142 K N 2.200 122.656 120.400 0.093 0.000 2.323 142 K HA 0.130 4.451 4.320 0.001 0.000 0.197 142 K C 0.572 177.298 176.600 0.211 0.000 1.043 142 K CA 0.623 57.034 56.287 0.207 0.000 0.997 142 K CB 0.040 32.619 32.500 0.132 0.000 0.807 142 K HN 0.663 nan 8.250 nan 0.000 0.497 143 N N 1.882 120.668 118.700 0.144 0.000 2.521 143 N HA 0.233 4.973 4.740 0.001 0.000 0.236 143 N C -1.202 174.384 175.510 0.126 0.000 1.067 143 N CA -0.565 52.566 53.050 0.134 0.000 0.939 143 N CB 0.897 39.449 38.487 0.109 0.000 1.201 143 N HN 0.046 nan 8.380 nan 0.000 0.511 144 L N 2.212 123.506 121.223 0.119 0.000 2.341 144 L HA 0.660 5.000 4.340 0.001 0.000 0.267 144 L C -1.315 175.580 176.870 0.042 0.000 1.009 144 L CA -0.879 54.018 54.840 0.094 0.000 0.819 144 L CB 2.044 44.169 42.059 0.110 0.000 1.323 144 L HN 0.459 nan 8.230 nan 0.000 0.425 145 I N 5.210 125.805 120.570 0.041 0.000 2.476 145 I HA 0.352 4.522 4.170 0.001 0.000 0.281 145 I C -0.851 175.276 176.117 0.018 0.000 1.040 145 I CA -0.314 60.985 61.300 -0.003 0.000 1.094 145 I CB 1.526 39.536 38.000 0.018 0.000 1.219 145 I HN 0.485 nan 8.210 nan 0.000 0.450 146 I N 7.212 127.787 120.570 0.008 0.000 2.322 146 I HA 0.165 4.335 4.170 0.001 0.000 0.292 146 I C 0.342 176.474 176.117 0.024 0.000 1.060 146 I CA -0.625 60.696 61.300 0.034 0.000 1.309 146 I CB 0.834 38.864 38.000 0.050 0.000 1.415 146 I HN 0.287 nan 8.210 nan 0.000 0.492 147 V N 3.512 123.439 119.914 0.021 0.000 2.539 147 V HA 0.371 4.491 4.120 0.001 0.000 0.292 147 V C -0.016 176.088 176.094 0.016 0.000 1.045 147 V CA -0.714 61.593 62.300 0.012 0.000 0.945 147 V CB 1.553 33.376 31.823 -0.001 0.000 0.993 147 V HN 0.840 nan 8.190 nan 0.000 0.464 148 Q N 3.351 123.163 119.800 0.020 0.000 2.810 148 Q HA 0.303 4.643 4.340 0.001 0.000 0.236 148 Q C -0.128 175.875 176.000 0.004 0.000 1.278 148 Q CA -0.217 55.599 55.803 0.022 0.000 1.065 148 Q CB 0.094 28.855 28.738 0.038 0.000 1.364 148 Q HN 0.940 nan 8.270 nan 0.000 0.570 149 N N 0.951 119.647 118.700 -0.008 0.000 2.418 149 N HA 0.136 4.876 4.740 0.001 0.000 0.283 149 N C -0.246 175.254 175.510 -0.016 0.000 1.267 149 N CA -0.065 52.975 53.050 -0.016 0.000 0.975 149 N CB 0.585 39.051 38.487 -0.033 0.000 1.167 149 N HN 0.267 nan 8.380 nan 0.000 0.581 150 K N -1.216 119.175 120.400 -0.016 0.000 3.193 150 K HA -0.116 4.205 4.320 0.001 0.000 0.294 150 K C 0.293 176.896 176.600 0.005 0.000 1.185 150 K CA 0.966 57.245 56.287 -0.012 0.000 0.866 150 K CB -2.597 29.880 32.500 -0.040 0.000 1.227 150 K HN 0.482 nan 8.250 nan 0.000 0.467 151 V N -1.752 118.167 119.914 0.010 0.000 3.478 151 V HA 0.017 4.137 4.120 0.001 0.000 0.323 151 V C 1.395 177.498 176.094 0.015 0.000 1.241 151 V CA 0.475 62.780 62.300 0.009 0.000 1.274 151 V CB -0.036 31.789 31.823 0.003 0.000 1.115 151 V HN -0.005 nan 8.190 nan 0.000 0.424 152 D N 1.556 121.978 120.400 0.038 0.000 2.117 152 D HA -0.056 4.584 4.640 0.001 0.000 0.197 152 D C 0.882 177.203 176.300 0.034 0.000 0.987 152 D CA 1.277 55.316 54.000 0.065 0.000 0.829 152 D CB 0.145 41.026 40.800 0.135 0.000 0.961 152 D HN 0.539 nan 8.370 nan 0.000 0.460 153 V N 1.789 121.721 119.914 0.029 0.000 2.380 153 V HA 0.313 4.433 4.120 0.001 0.000 0.268 153 V C 0.135 176.234 176.094 0.009 0.000 1.008 153 V CA -0.517 61.793 62.300 0.017 0.000 0.823 153 V CB 1.390 33.228 31.823 0.025 0.000 1.053 153 V HN 0.017 nan 8.190 nan 0.000 0.446 154 V N 1.043 120.958 119.914 0.001 0.000 3.089 154 V HA 0.880 5.001 4.120 0.001 0.000 0.312 154 V C -0.304 175.787 176.094 -0.005 0.000 1.433 154 V CA -0.645 61.655 62.300 -0.000 0.000 1.025 154 V CB 1.912 33.736 31.823 0.001 0.000 1.077 154 V HN 0.426 nan 8.190 nan 0.000 0.478 155 S N -1.066 114.631 115.700 -0.006 0.000 2.661 155 S HA 0.470 4.941 4.470 0.001 0.000 0.285 155 S C 0.468 175.061 174.600 -0.011 0.000 1.138 155 S CA -0.137 58.057 58.200 -0.009 0.000 0.855 155 S CB 1.915 65.111 63.200 -0.007 0.000 1.136 155 S HN 1.017 nan 8.310 nan 0.000 0.484 156 K N 1.209 121.600 120.400 -0.015 0.000 2.103 156 K HA -0.136 4.184 4.320 0.001 0.000 0.207 156 K C 1.134 177.727 176.600 -0.012 0.000 1.048 156 K CA 1.776 58.052 56.287 -0.018 0.000 0.930 156 K CB -0.183 32.304 32.500 -0.021 0.000 0.716 156 K HN 0.651 nan 8.250 nan 0.000 0.444 157 E N 0.345 120.540 120.200 -0.008 0.000 2.265 157 E HA -0.147 4.203 4.350 0.001 0.000 0.196 157 E C 0.517 177.118 176.600 0.001 0.000 0.996 157 E CA 0.706 57.103 56.400 -0.004 0.000 0.832 157 E CB 0.081 29.778 29.700 -0.004 0.000 0.756 157 E HN 0.298 nan 8.360 nan 0.000 0.491 158 E N -0.516 119.685 120.200 0.001 0.000 2.424 158 E HA 0.140 4.491 4.350 0.001 0.000 0.237 158 E C 0.167 176.776 176.600 0.016 0.000 1.381 158 E CA 0.014 56.419 56.400 0.007 0.000 1.587 158 E CB 0.530 30.233 29.700 0.005 0.000 1.398 158 E HN 0.299 nan 8.360 nan 0.000 0.439 159 A N -0.700 122.132 122.820 0.020 0.000 2.604 159 A HA 0.046 4.366 4.320 0.001 0.000 0.157 159 A C 1.152 178.773 177.584 0.061 0.000 1.680 159 A CA -0.277 51.784 52.037 0.040 0.000 1.227 159 A CB -0.260 18.737 19.000 -0.004 0.000 1.493 159 A HN 0.267 nan 8.150 nan 0.000 0.453 160 L N 0.079 121.322 121.223 0.033 0.000 2.376 160 L HA 0.240 4.581 4.340 0.001 0.000 0.219 160 L C 1.606 178.503 176.870 0.045 0.000 1.133 160 L CA 2.616 57.478 54.840 0.037 0.000 0.816 160 L CB 0.300 42.365 42.059 0.011 0.000 0.933 160 L HN 0.360 nan 8.230 nan 0.000 0.449 161 S N -2.914 112.804 115.700 0.030 0.000 2.648 161 S HA 0.044 4.514 4.470 0.001 0.000 0.270 161 S C 1.521 176.105 174.600 -0.027 0.000 1.080 161 S CA 0.191 58.386 58.200 -0.007 0.000 1.159 161 S CB -0.025 63.162 63.200 -0.021 0.000 1.091 161 S HN 0.417 nan 8.310 nan 0.000 0.605 162 Q N 0.176 119.984 119.800 0.013 0.000 2.297 162 Q HA 0.076 4.417 4.340 0.001 0.000 0.204 162 Q C 1.346 177.363 176.000 0.028 0.000 0.962 162 Q CA 1.512 57.325 55.803 0.016 0.000 0.879 162 Q CB -0.301 28.461 28.738 0.040 0.000 0.947 162 Q HN 0.814 nan 8.270 nan 0.000 0.462 163 Y N -1.377 118.878 120.300 -0.075 0.000 2.503 163 Y HA 0.247 4.797 4.550 0.001 0.000 0.277 163 Y C 1.704 177.530 175.900 -0.122 0.000 1.102 163 Y CA 0.286 58.336 58.100 -0.084 0.000 1.261 163 Y CB 0.264 38.688 38.460 -0.059 0.000 1.096 163 Y HN -0.068 nan 8.280 nan 0.000 0.546 164 R N 1.342 121.722 120.500 -0.202 0.000 2.240 164 R HA -0.042 4.298 4.340 0.001 0.000 0.203 164 R C 2.158 178.262 176.300 -0.325 0.000 1.011 164 R CA 1.383 57.310 56.100 -0.288 0.000 1.007 164 R CB -0.320 29.927 30.300 -0.089 0.000 0.911 164 R HN 0.732 nan 8.270 nan 0.000 0.468 165 Q N -0.564 119.030 119.800 -0.343 0.000 2.230 165 Q HA -0.058 4.282 4.340 0.001 0.000 0.202 165 Q C 1.509 177.059 176.000 -0.750 0.000 0.963 165 Q CA 1.285 56.814 55.803 -0.456 0.000 0.866 165 Q CB -0.139 28.343 28.738 -0.427 0.000 0.931 165 Q HN 0.354 nan 8.270 nan 0.000 0.452 166 I N 0.724 120.842 120.570 -0.754 0.000 2.500 166 I HA -0.141 4.029 4.170 0.001 0.000 0.252 166 I C 1.832 177.684 176.117 -0.442 0.000 1.142 166 I CA 0.563 61.426 61.300 -0.729 0.000 1.451 166 I CB -0.229 37.535 38.000 -0.393 0.000 1.093 166 I HN 0.054 nan 8.210 nan 0.000 0.430 167 K N 0.971 121.096 120.400 -0.457 0.000 2.283 167 K HA -0.167 4.153 4.320 0.001 0.000 0.202 167 K C 1.972 178.427 176.600 -0.241 0.000 1.048 167 K CA 0.907 56.990 56.287 -0.340 0.000 0.948 167 K CB -0.386 31.891 32.500 -0.372 0.000 0.742 167 K HN 0.425 nan 8.250 nan 0.000 0.458 168 Q N -0.017 119.631 119.800 -0.253 0.000 2.096 168 Q HA -0.064 4.276 4.340 0.001 0.000 0.197 168 Q C 1.822 177.725 176.000 -0.161 0.000 0.964 168 Q CA 0.976 56.667 55.803 -0.186 0.000 0.838 168 Q CB -0.197 28.435 28.738 -0.177 0.000 0.906 168 Q HN 0.243 nan 8.270 nan 0.000 0.444 169 F N 1.807 121.545 119.950 -0.354 0.000 2.407 169 F HA -0.113 4.414 4.527 0.001 0.000 0.299 169 F C 2.271 177.924 175.800 -0.244 0.000 1.097 169 F CA 1.901 59.722 58.000 -0.298 0.000 1.422 169 F CB 0.081 38.881 39.000 -0.333 0.000 1.067 169 F HN 0.285 nan 8.300 nan 0.000 0.539 170 T N -2.864 111.632 114.554 -0.096 0.000 2.976 170 T HA -0.001 4.349 4.350 0.001 0.000 0.257 170 T C 1.019 175.638 174.700 -0.135 0.000 1.051 170 T CA 0.140 62.173 62.100 -0.112 0.000 1.141 170 T CB -0.375 68.418 68.868 -0.125 0.000 0.881 170 T HN -0.012 nan 8.240 nan 0.000 0.461 171 K N 1.903 122.223 120.400 -0.133 0.000 2.228 171 K HA 0.477 4.798 4.320 0.001 0.000 0.284 171 K C 0.659 177.196 176.600 -0.105 0.000 1.088 171 K CA 0.238 56.462 56.287 -0.105 0.000 0.941 171 K CB 0.319 32.760 32.500 -0.099 0.000 1.158 171 K HN 0.576 nan 8.250 nan 0.000 0.438 172 G N 1.440 110.194 108.800 -0.077 0.000 3.732 172 G HA2 -0.163 3.797 3.960 0.001 0.000 0.220 172 G HA3 -0.163 3.797 3.960 0.001 0.000 0.220 172 G C 0.455 175.351 174.900 -0.006 0.000 0.903 172 G CA 0.192 45.255 45.100 -0.062 0.000 0.896 172 G HN 0.597 nan 8.290 nan 0.000 0.685 173 T N -2.715 111.852 114.554 0.022 0.000 1.730 173 T HA 0.484 4.834 4.350 0.001 0.000 0.172 173 T C 1.333 176.166 174.700 0.222 0.000 0.692 173 T CA 0.825 63.024 62.100 0.166 0.000 1.059 173 T CB 0.285 69.305 68.868 0.254 0.000 3.166 173 T HN 0.822 nan 8.240 nan 0.000 0.409 174 W N 1.648 122.961 121.300 0.022 0.000 3.298 174 W HA 0.760 5.421 4.660 0.001 0.000 0.239 174 W C 0.828 177.364 176.519 0.028 0.000 1.082 174 W CA 0.223 57.574 57.345 0.011 0.000 1.711 174 W CB 0.087 29.538 29.460 -0.014 0.000 0.944 174 W HN 0.568 nan 8.180 nan 0.000 0.712 175 A N 2.555 124.746 122.820 -1.048 0.000 2.797 175 A HA 0.191 4.511 4.320 0.001 0.000 0.296 175 A C 1.065 178.464 177.584 -0.308 0.000 1.580 175 A CA 0.402 52.021 52.037 -0.696 0.000 1.277 175 A CB -0.595 17.854 19.000 -0.919 0.000 1.101 175 A HN 0.581 nan 8.150 nan 0.000 0.562 176 E N 2.218 122.328 120.200 -0.151 0.000 2.033 176 E HA -0.059 4.291 4.350 0.001 0.000 0.197 176 E C 0.355 176.907 176.600 -0.081 0.000 0.955 176 E CA 0.311 56.653 56.400 -0.097 0.000 0.855 176 E CB -0.045 29.627 29.700 -0.046 0.000 0.841 176 E HN 0.605 nan 8.360 nan 0.000 0.476 177 N N 1.048 119.723 118.700 -0.042 0.000 2.482 177 N HA 0.058 4.798 4.740 0.001 0.000 0.220 177 N C -0.993 174.480 175.510 -0.062 0.000 1.255 177 N CA 0.066 53.098 53.050 -0.029 0.000 0.850 177 N CB 0.360 38.857 38.487 0.016 0.000 1.127 177 N HN -0.020 nan 8.380 nan 0.000 0.475 178 V N 2.395 122.254 119.914 -0.092 0.000 2.529 178 V HA 0.069 4.190 4.120 0.001 0.000 0.292 178 V C -1.724 174.267 176.094 -0.171 0.000 1.028 178 V CA -1.131 61.089 62.300 -0.133 0.000 1.074 178 V CB 0.423 32.189 31.823 -0.095 0.000 0.958 178 V HN 0.130 nan 8.190 nan 0.000 0.481 179 P HA 0.238 nan 4.420 nan 0.000 0.267 179 P C -0.539 176.690 177.300 -0.119 0.000 1.200 179 P CA 0.116 63.025 63.100 -0.318 0.000 0.772 179 P CB 0.431 31.718 31.700 -0.689 0.000 0.855 180 I N 3.413 123.979 120.570 -0.008 0.000 2.466 180 I HA 0.331 4.502 4.170 0.001 0.000 0.279 180 I C -0.204 175.928 176.117 0.025 0.000 1.033 180 I CA -0.399 60.941 61.300 0.066 0.000 1.123 180 I CB 0.790 38.940 38.000 0.250 0.000 1.237 180 I HN 0.115 nan 8.210 nan 0.000 0.460 181 I N 7.652 128.222 120.570 -0.001 0.000 2.321 181 I HA 0.346 4.516 4.170 0.001 0.000 0.291 181 I C -2.363 173.750 176.117 -0.006 0.000 0.998 181 I CA -2.033 59.260 61.300 -0.013 0.000 1.227 181 I CB 1.414 39.407 38.000 -0.012 0.000 1.368 181 I HN 0.186 nan 8.210 nan 0.000 0.466 182 P HA 0.163 nan 4.420 nan 0.000 0.282 182 P C -0.805 176.488 177.300 -0.011 0.000 1.274 182 P CA -0.176 62.915 63.100 -0.014 0.000 0.770 182 P CB 0.867 32.550 31.700 -0.029 0.000 0.867 183 V N 0.407 120.317 119.914 -0.006 0.000 2.962 183 V HA 0.644 4.764 4.120 0.001 0.000 0.313 183 V C -0.086 176.012 176.094 0.007 0.000 1.099 183 V CA -1.069 61.228 62.300 -0.004 0.000 0.971 183 V CB 2.003 33.819 31.823 -0.012 0.000 1.028 183 V HN 0.386 nan 8.190 nan 0.000 0.430 184 S N 1.909 117.623 115.700 0.022 0.000 2.499 184 S HA 0.618 5.088 4.470 0.001 0.000 0.275 184 S C 1.186 175.820 174.600 0.058 0.000 1.257 184 S CA 0.174 58.413 58.200 0.063 0.000 1.050 184 S CB 0.934 64.196 63.200 0.104 0.000 0.937 184 S HN 1.590 nan 8.310 nan 0.000 0.490 185 A N 5.669 128.523 122.820 0.056 0.000 1.821 185 A HA 0.021 4.341 4.320 0.001 0.000 0.215 185 A C 1.848 179.432 177.584 -0.001 0.000 1.216 185 A CA 1.373 53.419 52.037 0.016 0.000 0.615 185 A CB -1.126 17.881 19.000 0.011 0.000 0.862 185 A HN 0.767 nan 8.150 nan 0.000 0.450 186 L N 0.056 121.267 121.223 -0.020 0.000 1.955 186 L HA -0.086 4.255 4.340 0.001 0.000 0.213 186 L C 0.932 177.680 176.870 -0.202 0.000 1.072 186 L CA 1.484 56.221 54.840 -0.171 0.000 0.755 186 L CB -1.461 40.383 42.059 -0.358 0.000 0.888 186 L HN 0.519 nan 8.230 nan 0.000 0.432 187 H N -0.058 119.006 119.070 -0.011 0.000 2.848 187 H HA 0.111 4.668 4.556 0.001 0.000 0.341 187 H C 0.282 175.597 175.328 -0.021 0.000 1.060 187 H CA -0.015 56.025 56.048 -0.013 0.000 1.444 187 H CB 0.003 29.762 29.762 -0.006 0.000 1.446 187 H HN 0.073 nan 8.280 nan 0.000 0.583 188 K N 3.232 123.680 120.400 0.080 0.000 3.277 188 K HA 0.115 4.435 4.320 0.001 0.000 0.280 188 K C -0.406 176.220 176.600 0.044 0.000 1.182 188 K CA 0.012 56.319 56.287 0.034 0.000 1.219 188 K CB -0.034 32.472 32.500 0.011 0.000 1.373 188 K HN 0.399 nan 8.250 nan 0.000 0.392 189 I N 1.317 121.922 120.570 0.058 0.000 2.460 189 I HA 0.085 4.256 4.170 0.001 0.000 0.298 189 I C 0.979 177.107 176.117 0.019 0.000 0.989 189 I CA -0.374 60.947 61.300 0.034 0.000 1.173 189 I CB 1.303 39.315 38.000 0.020 0.000 1.338 189 I HN 0.380 nan 8.210 nan 0.000 0.456 190 N N 3.409 122.118 118.700 0.014 0.000 2.863 190 N HA -0.178 4.562 4.740 0.001 0.000 0.245 190 N C 0.915 176.429 175.510 0.007 0.000 1.001 190 N CA 0.599 53.654 53.050 0.009 0.000 0.901 190 N CB -0.400 38.087 38.487 -0.000 0.000 1.124 190 N HN 0.498 nan 8.380 nan 0.000 0.582 191 I N 0.456 121.031 120.570 0.009 0.000 2.546 191 I HA -0.143 4.027 4.170 0.001 0.000 0.255 191 I C 1.562 177.684 176.117 0.008 0.000 1.163 191 I CA 1.221 62.520 61.300 -0.002 0.000 1.457 191 I CB -1.043 36.951 38.000 -0.010 0.000 1.092 191 I HN 0.123 nan 8.210 nan 0.000 0.434 192 D N 0.966 121.383 120.400 0.029 0.000 2.133 192 D HA -0.166 4.474 4.640 0.001 0.000 0.195 192 D C 2.324 178.640 176.300 0.027 0.000 0.997 192 D CA 1.552 55.584 54.000 0.052 0.000 0.840 192 D CB -0.210 40.635 40.800 0.075 0.000 0.947 192 D HN 0.171 nan 8.370 nan 0.000 0.452 193 S N 0.058 115.768 115.700 0.017 0.000 2.356 193 S HA -0.075 4.395 4.470 0.001 0.000 0.223 193 S C 1.774 176.365 174.600 -0.016 0.000 1.032 193 S CA 0.299 58.501 58.200 0.004 0.000 1.005 193 S CB -0.279 62.925 63.200 0.008 0.000 0.867 193 S HN 0.270 nan 8.310 nan 0.000 0.449 194 L N 1.815 123.031 121.223 -0.012 0.000 2.083 194 L HA -0.059 4.281 4.340 0.001 0.000 0.209 194 L C 1.913 178.772 176.870 -0.019 0.000 1.083 194 L CA 1.726 56.559 54.840 -0.010 0.000 0.752 194 L CB -0.860 41.190 42.059 -0.016 0.000 0.899 194 L HN 0.339 nan 8.230 nan 0.000 0.433 195 I N 0.144 120.694 120.570 -0.034 0.000 2.179 195 I HA -0.324 3.847 4.170 0.001 0.000 0.242 195 I C 2.546 178.537 176.117 -0.210 0.000 1.088 195 I CA 1.579 62.845 61.300 -0.056 0.000 1.357 195 I CB -0.316 37.677 38.000 -0.012 0.000 1.051 195 I HN 0.358 nan 8.210 nan 0.000 0.409 196 E N 1.109 121.121 120.200 -0.314 0.000 2.204 196 E HA -0.179 4.172 4.350 0.001 0.000 0.195 196 E C 2.217 178.646 176.600 -0.285 0.000 0.990 196 E CA 1.205 57.244 56.400 -0.602 0.000 0.821 196 E CB -0.114 29.340 29.700 -0.411 0.000 0.750 196 E HN 0.521 nan 8.360 nan 0.000 0.477 197 G N 1.283 110.033 108.800 -0.083 0.000 2.404 197 G HA2 -0.208 3.752 3.960 0.001 0.000 0.215 197 G HA3 -0.208 3.752 3.960 0.001 0.000 0.215 197 G C 1.568 176.527 174.900 0.099 0.000 1.174 197 G CA 0.722 45.879 45.100 0.095 0.000 0.780 197 G HN 0.251 nan 8.290 nan 0.000 0.537 198 I N 0.570 121.155 120.570 0.025 0.000 2.335 198 I HA -0.126 4.044 4.170 0.001 0.000 0.251 198 I C 2.466 178.564 176.117 -0.033 0.000 1.129 198 I CA 1.221 62.540 61.300 0.032 0.000 1.402 198 I CB -0.103 37.931 38.000 0.057 0.000 1.069 198 I HN 0.156 nan 8.210 nan 0.000 0.424 199 E N 0.450 120.575 120.200 -0.125 0.000 2.482 199 E HA -0.170 4.181 4.350 0.001 0.000 0.196 199 E C 1.636 178.145 176.600 -0.150 0.000 1.047 199 E CA 0.643 56.944 56.400 -0.164 0.000 0.869 199 E CB 0.249 29.769 29.700 -0.299 0.000 0.836 199 E HN 0.393 nan 8.360 nan 0.000 0.520 200 E N -2.015 118.090 120.200 -0.158 0.000 2.444 200 E HA 0.080 4.430 4.350 0.001 0.000 0.203 200 E C 0.597 176.998 176.600 -0.332 0.000 0.847 200 E CA 0.405 56.633 56.400 -0.287 0.000 1.142 200 E CB -0.156 29.276 29.700 -0.446 0.000 1.125 200 E HN 0.272 nan 8.360 nan 0.000 0.521 201 Y N -0.108 120.177 120.300 -0.026 0.000 2.500 201 Y HA 0.385 4.935 4.550 0.001 0.000 0.270 201 Y C 0.413 176.315 175.900 0.003 0.000 1.134 201 Y CA 0.312 58.410 58.100 -0.003 0.000 1.293 201 Y CB 0.709 39.172 38.460 0.005 0.000 1.063 201 Y HN -0.049 nan 8.280 nan 0.000 0.534 202 I N 0.737 121.367 120.570 0.101 0.000 2.833 202 I HA 0.191 4.362 4.170 0.001 0.000 0.286 202 I C -0.339 175.779 176.117 0.001 0.000 1.287 202 I CA -0.494 60.840 61.300 0.057 0.000 1.046 202 I CB 0.302 38.337 38.000 0.060 0.000 1.612 202 I HN -0.087 nan 8.210 nan 0.000 0.585 203 K N 1.385 121.779 120.400 -0.009 0.000 2.136 203 K HA 0.314 4.634 4.320 0.001 0.000 0.237 203 K C 0.279 176.861 176.600 -0.031 0.000 1.048 203 K CA -0.259 56.009 56.287 -0.032 0.000 0.880 203 K CB 0.531 33.013 32.500 -0.030 0.000 1.105 203 K HN 0.186 nan 8.250 nan 0.000 0.507 204 T N 3.618 118.148 114.554 -0.041 0.000 2.739 204 T HA 0.182 4.532 4.350 0.001 0.000 0.298 204 T C -2.159 172.533 174.700 -0.013 0.000 0.929 204 T CA -1.326 60.748 62.100 -0.043 0.000 1.014 204 T CB 0.390 69.219 68.868 -0.065 0.000 0.914 204 T HN 0.322 nan 8.240 nan 0.000 0.509 205 P HA 0.021 nan 4.420 nan 0.000 0.269 205 P C -0.556 176.775 177.300 0.052 0.000 1.217 205 P CA -0.551 62.570 63.100 0.035 0.000 0.783 205 P CB 0.327 32.041 31.700 0.023 0.000 0.898 206 Y N 2.208 122.498 120.300 -0.016 0.000 2.544 206 Y HA 0.129 4.679 4.550 0.000 0.000 0.330 206 Y C 0.285 176.175 175.900 -0.016 0.000 1.136 206 Y CA 0.040 58.130 58.100 -0.016 0.000 1.417 206 Y CB 0.352 38.806 38.460 -0.011 0.000 1.229 206 Y HN 0.124 nan 8.280 nan 0.000 0.532 207 R N 5.164 125.230 120.500 -0.724 0.000 2.246 207 R HA 0.146 4.486 4.340 0.001 0.000 0.332 207 R C -1.208 174.601 176.300 -0.820 0.000 0.974 207 R CA -0.776 54.982 56.100 -0.571 0.000 0.837 207 R CB 0.621 30.737 30.300 -0.306 0.000 1.145 207 R HN 0.704 nan 8.270 nan 0.000 0.467 208 D N 3.920 123.995 120.400 -0.542 0.000 2.422 208 D HA 0.093 4.733 4.640 0.001 0.000 0.227 208 D C 0.505 176.712 176.300 -0.155 0.000 1.190 208 D CA -0.181 53.660 54.000 -0.264 0.000 0.905 208 D CB 0.615 41.446 40.800 0.050 0.000 1.034 208 D HN 0.424 nan 8.370 nan 0.000 0.507 209 L N 2.483 123.616 121.223 -0.150 0.000 2.737 209 L HA 0.083 4.424 4.340 0.001 0.000 0.236 209 L C 1.355 178.178 176.870 -0.078 0.000 1.219 209 L CA -0.023 54.750 54.840 -0.111 0.000 1.021 209 L CB -0.296 41.700 42.059 -0.104 0.000 1.291 209 L HN 0.274 nan 8.230 nan 0.000 0.470 210 S N -3.096 112.572 115.700 -0.054 0.000 2.629 210 S HA 0.235 4.706 4.470 0.001 0.000 0.236 210 S C 0.463 175.040 174.600 -0.039 0.000 1.010 210 S CA -0.617 57.561 58.200 -0.037 0.000 0.981 210 S CB 0.324 63.521 63.200 -0.005 0.000 0.919 210 S HN 0.390 nan 8.310 nan 0.000 0.514 211 Q N 1.234 121.002 119.800 -0.054 0.000 2.195 211 Q HA 0.425 4.765 4.340 0.001 0.000 0.250 211 Q C -0.810 175.131 176.000 -0.097 0.000 0.988 211 Q CA -0.881 54.893 55.803 -0.049 0.000 0.911 211 Q CB 0.978 29.700 28.738 -0.028 0.000 1.258 211 Q HN 0.225 nan 8.270 nan 0.000 0.475 212 K N 2.119 122.471 120.400 -0.079 0.000 2.430 212 K HA 0.053 4.373 4.320 0.001 0.000 0.280 212 K C -2.362 174.115 176.600 -0.206 0.000 1.063 212 K CA -1.001 55.216 56.287 -0.116 0.000 1.071 212 K CB -0.253 32.220 32.500 -0.046 0.000 0.899 212 K HN 0.210 nan 8.250 nan 0.000 0.473 213 P HA -0.049 nan 4.420 nan 0.000 0.263 213 P C -0.997 176.148 177.300 -0.258 0.000 1.195 213 P CA 0.082 62.841 63.100 -0.569 0.000 0.762 213 P CB 0.579 31.467 31.700 -1.354 0.000 0.799 214 V N 5.457 125.315 119.914 -0.094 0.000 2.509 214 V HA 0.336 4.456 4.120 0.001 0.000 0.289 214 V C -0.220 175.833 176.094 -0.069 0.000 1.026 214 V CA -0.363 61.850 62.300 -0.145 0.000 0.872 214 V CB 1.545 32.986 31.823 -0.636 0.000 1.017 214 V HN 0.557 nan 8.190 nan 0.000 0.436 215 M N 5.592 125.195 119.600 0.005 0.000 2.268 215 M HA 0.622 5.102 4.480 0.001 0.000 0.344 215 M C -1.348 174.858 176.300 -0.156 0.000 1.106 215 M CA -0.949 54.274 55.300 -0.129 0.000 1.010 215 M CB 1.607 34.021 32.600 -0.309 0.000 1.649 215 M HN 0.584 nan 8.290 nan 0.000 0.443 216 L N 7.039 128.181 121.223 -0.136 0.000 2.295 216 L HA 0.348 4.688 4.340 0.001 0.000 0.288 216 L C -1.111 175.710 176.870 -0.082 0.000 1.079 216 L CA -0.123 54.666 54.840 -0.084 0.000 0.830 216 L CB 0.796 42.829 42.059 -0.043 0.000 1.200 216 L HN 0.512 nan 8.230 nan 0.000 0.438 217 V N 7.532 127.401 119.914 -0.075 0.000 2.439 217 V HA 0.051 4.171 4.120 0.001 0.000 0.271 217 V C 1.306 177.376 176.094 -0.040 0.000 1.040 217 V CA 0.595 62.849 62.300 -0.077 0.000 1.002 217 V CB 0.520 32.297 31.823 -0.077 0.000 1.000 217 V HN 0.873 nan 8.190 nan 0.000 0.477 218 I N 2.486 123.033 120.570 -0.039 0.000 4.070 218 I HA 0.434 4.605 4.170 0.001 0.000 0.328 218 I C 0.812 176.937 176.117 0.014 0.000 1.298 218 I CA 0.247 61.542 61.300 -0.009 0.000 1.173 218 I CB 0.184 38.177 38.000 -0.012 0.000 1.051 218 I HN 0.452 nan 8.210 nan 0.000 0.409 219 R N 0.869 121.376 120.500 0.012 0.000 2.739 219 R HA 0.647 4.987 4.340 0.001 0.000 0.271 219 R C -1.328 175.002 176.300 0.050 0.000 1.010 219 R CA -0.291 55.857 56.100 0.080 0.000 0.897 219 R CB 2.270 32.660 30.300 0.152 0.000 1.236 219 R HN 0.341 nan 8.270 nan 0.000 0.466 220 S N 0.842 116.621 115.700 0.132 0.000 2.560 220 S HA 0.700 5.170 4.470 0.001 0.000 0.283 220 S C -1.050 173.628 174.600 0.129 0.000 1.141 220 S CA -0.977 57.203 58.200 -0.034 0.000 0.902 220 S CB 0.995 64.159 63.200 -0.060 0.000 1.104 220 S HN 0.591 nan 8.310 nan 0.000 0.454 221 F N -0.708 119.219 119.950 -0.038 0.000 2.877 221 F HA 0.782 5.309 4.527 0.001 0.000 0.319 221 F C -1.505 174.279 175.800 -0.027 0.000 1.174 221 F CA -1.005 56.978 58.000 -0.028 0.000 0.903 221 F CB 0.257 39.243 39.000 -0.024 0.000 1.357 221 F HN 0.535 nan 8.300 nan 0.000 0.472 222 D N 0.869 121.414 120.400 0.242 0.000 2.317 222 D HA 0.311 4.952 4.640 0.001 0.000 0.234 222 D C 0.238 176.661 176.300 0.205 0.000 1.112 222 D CA -0.132 53.942 54.000 0.124 0.000 0.840 222 D CB 1.995 42.848 40.800 0.087 0.000 1.078 222 D HN 0.563 nan 8.370 nan 0.000 0.486 223 V N 4.154 124.136 119.914 0.114 0.000 2.951 223 V HA 0.016 4.136 4.120 0.001 0.000 0.255 223 V C 0.441 176.583 176.094 0.080 0.000 1.088 223 V CA 0.428 62.812 62.300 0.141 0.000 1.109 223 V CB -0.374 31.482 31.823 0.056 0.000 0.724 223 V HN 0.500 nan 8.190 nan 0.000 0.471 224 N N 1.971 120.699 118.700 0.047 0.000 2.492 224 N HA 0.116 4.857 4.740 0.001 0.000 0.260 224 N C -0.178 175.355 175.510 0.037 0.000 1.215 224 N CA 0.214 53.283 53.050 0.031 0.000 0.923 224 N CB 0.484 38.984 38.487 0.021 0.000 1.092 224 N HN 0.277 nan 8.380 nan 0.000 0.448 225 K N 1.801 122.217 120.400 0.027 0.000 2.118 225 K HA 0.376 4.697 4.320 0.001 0.000 0.264 225 K C -2.216 174.397 176.600 0.022 0.000 1.000 225 K CA -1.701 54.600 56.287 0.024 0.000 0.929 225 K CB 0.093 32.603 32.500 0.017 0.000 1.021 225 K HN 0.280 nan 8.250 nan 0.000 0.463 226 P HA 0.083 nan 4.420 nan 0.000 0.265 226 P C 0.516 177.827 177.300 0.019 0.000 1.222 226 P CA 0.589 63.701 63.100 0.020 0.000 0.767 226 P CB 0.291 32.001 31.700 0.017 0.000 0.801 227 G N 1.808 110.623 108.800 0.024 0.000 2.296 227 G HA2 -0.172 3.788 3.960 0.001 0.000 0.188 227 G HA3 -0.172 3.788 3.960 0.001 0.000 0.188 227 G C 0.294 175.210 174.900 0.026 0.000 1.000 227 G CA -0.398 44.717 45.100 0.024 0.000 0.672 227 G HN 0.519 nan 8.290 nan 0.000 0.483 228 T N 2.115 116.683 114.554 0.023 0.000 2.871 228 T HA 0.374 4.724 4.350 0.001 0.000 0.296 228 T C 0.596 175.314 174.700 0.030 0.000 0.998 228 T CA 0.687 62.797 62.100 0.016 0.000 1.162 228 T CB 1.308 70.183 68.868 0.013 0.000 0.947 228 T HN 0.543 nan 8.240 nan 0.000 0.536 229 Q N 1.647 121.449 119.800 0.004 0.000 2.474 229 Q HA 0.160 4.500 4.340 0.001 0.000 0.256 229 Q C 1.034 177.033 176.000 -0.001 0.000 1.048 229 Q CA 0.078 55.882 55.803 0.003 0.000 0.922 229 Q CB 0.225 28.898 28.738 -0.109 0.000 1.288 229 Q HN 0.713 nan 8.270 nan 0.000 0.484 230 F N 0.486 120.440 119.950 0.007 0.000 2.269 230 F HA -0.050 4.478 4.527 0.000 0.000 0.301 230 F C 1.223 177.028 175.800 0.009 0.000 1.082 230 F CA 0.983 58.988 58.000 0.008 0.000 1.360 230 F CB -0.205 38.801 39.000 0.009 0.000 1.041 230 F HN 0.479 nan 8.300 nan 0.000 0.512 231 N N 0.913 119.156 118.700 -0.762 0.000 2.396 231 N HA -0.111 4.630 4.740 0.001 0.000 0.180 231 N C 0.954 176.340 175.510 -0.206 0.000 1.028 231 N CA 1.255 54.005 53.050 -0.500 0.000 0.893 231 N CB -0.211 37.920 38.487 -0.594 0.000 0.967 231 N HN 0.613 nan 8.380 nan 0.000 0.440 232 E N 0.022 120.129 120.200 -0.156 0.000 2.569 232 E HA 0.136 4.487 4.350 0.001 0.000 0.205 232 E C 0.069 176.642 176.600 -0.046 0.000 1.006 232 E CA -0.209 56.140 56.400 -0.085 0.000 0.985 232 E CB 0.016 29.669 29.700 -0.078 0.000 1.060 232 E HN 0.234 nan 8.360 nan 0.000 0.460 233 L N 1.728 122.937 121.223 -0.024 0.000 2.367 233 L HA 0.194 4.534 4.340 0.001 0.000 0.275 233 L C 0.698 177.553 176.870 -0.026 0.000 1.129 233 L CA 0.148 54.987 54.840 -0.002 0.000 0.839 233 L CB 0.499 42.581 42.059 0.038 0.000 1.133 233 L HN -0.213 nan 8.230 nan 0.000 0.453 234 K N 1.765 122.139 120.400 -0.043 0.000 2.166 234 K HA 0.468 4.789 4.320 0.001 0.000 0.245 234 K C 0.172 176.713 176.600 -0.098 0.000 0.967 234 K CA -0.511 55.722 56.287 -0.089 0.000 0.863 234 K CB 1.955 34.399 32.500 -0.093 0.000 1.107 234 K HN 0.702 nan 8.250 nan 0.000 0.436 235 G N -0.107 108.594 108.800 -0.165 0.000 2.653 235 G HA2 0.284 4.245 3.960 0.001 0.000 0.265 235 G HA3 0.284 4.245 3.960 0.001 0.000 0.265 235 G C 0.098 174.916 174.900 -0.136 0.000 1.237 235 G CA -0.406 44.610 45.100 -0.141 0.000 0.946 235 G HN 0.515 nan 8.290 nan 0.000 0.522 236 G N -1.957 106.773 108.800 -0.117 0.000 2.544 236 G HA2 0.409 4.369 3.960 0.001 0.000 0.242 236 G HA3 0.409 4.369 3.960 0.001 0.000 0.242 236 G C -0.431 174.324 174.900 -0.242 0.000 1.247 236 G CA -0.248 44.759 45.100 -0.156 0.000 0.840 236 G HN 0.631 nan 8.290 nan 0.000 0.578 237 V N 2.429 122.109 119.914 -0.391 0.000 2.398 237 V HA 0.345 4.466 4.120 0.001 0.000 0.286 237 V C 0.183 175.957 176.094 -0.535 0.000 1.026 237 V CA -0.384 61.595 62.300 -0.534 0.000 0.868 237 V CB 1.390 32.694 31.823 -0.864 0.000 0.982 237 V HN 0.606 nan 8.190 nan 0.000 0.443 238 I N 4.533 124.884 120.570 -0.364 0.000 2.697 238 I HA 0.342 4.513 4.170 0.001 0.000 0.279 238 I C 1.009 176.972 176.117 -0.257 0.000 1.171 238 I CA -0.232 60.901 61.300 -0.277 0.000 1.135 238 I CB 1.100 38.970 38.000 -0.216 0.000 1.445 238 I HN 0.714 nan 8.210 nan 0.000 0.541 239 G N 2.934 111.594 108.800 -0.232 0.000 2.367 239 G HA2 0.503 4.464 3.960 0.001 0.000 0.280 239 G HA3 0.503 4.464 3.960 0.001 0.000 0.280 239 G C 0.206 175.005 174.900 -0.169 0.000 1.175 239 G CA 0.030 45.014 45.100 -0.193 0.000 1.001 239 G HN 0.604 nan 8.290 nan 0.000 0.437 240 G N 0.079 108.749 108.800 -0.217 0.000 3.243 240 G HA2 0.565 4.525 3.960 0.001 0.000 0.248 240 G HA3 0.565 4.525 3.960 0.001 0.000 0.248 240 G C -0.680 174.107 174.900 -0.188 0.000 1.267 240 G CA -0.288 44.703 45.100 -0.180 0.000 0.906 240 G HN 0.820 nan 8.290 nan 0.000 0.592 241 S N -0.001 115.613 115.700 -0.143 0.000 2.653 241 S HA 0.347 4.817 4.470 0.001 0.000 0.272 241 S C -0.120 174.424 174.600 -0.093 0.000 1.221 241 S CA -0.635 57.501 58.200 -0.106 0.000 1.149 241 S CB -0.062 63.101 63.200 -0.060 0.000 1.029 241 S HN 0.724 nan 8.310 nan 0.000 0.481 242 I N 6.484 127.002 120.570 -0.086 0.000 2.752 242 I HA 0.031 4.201 4.170 0.001 0.000 0.286 242 I C 0.899 177.002 176.117 -0.023 0.000 1.180 242 I CA 0.150 61.437 61.300 -0.021 0.000 1.404 242 I CB 0.405 38.459 38.000 0.089 0.000 1.389 242 I HN 0.784 nan 8.210 nan 0.000 0.549 243 I N 5.181 125.704 120.570 -0.079 0.000 3.645 243 I HA 0.216 4.386 4.170 0.001 0.000 0.300 243 I C 0.465 176.523 176.117 -0.098 0.000 1.260 243 I CA 0.465 61.709 61.300 -0.095 0.000 1.365 243 I CB -0.419 37.494 38.000 -0.146 0.000 1.077 243 I HN 0.787 nan 8.210 nan 0.000 0.439 244 Q N -0.313 119.421 119.800 -0.110 0.000 2.804 244 Q HA 0.572 4.913 4.340 0.001 0.000 0.302 244 Q C -0.053 175.875 176.000 -0.120 0.000 0.885 244 Q CA -0.705 55.030 55.803 -0.114 0.000 0.759 244 Q CB 0.725 29.376 28.738 -0.144 0.000 1.465 244 Q HN 0.504 nan 8.270 nan 0.000 0.432 245 G N 0.038 108.757 108.800 -0.135 0.000 2.593 245 G HA2 -0.020 3.940 3.960 0.001 0.000 0.237 245 G HA3 -0.020 3.940 3.960 0.001 0.000 0.237 245 G C -1.511 173.288 174.900 -0.169 0.000 1.312 245 G CA -0.123 44.866 45.100 -0.185 0.000 0.896 245 G HN 1.234 nan 8.290 nan 0.000 0.574 246 L N -0.633 120.439 121.223 -0.253 0.000 2.491 246 L HA 0.790 5.130 4.340 0.001 0.000 0.267 246 L C -1.020 175.702 176.870 -0.246 0.000 0.971 246 L CA -0.809 53.936 54.840 -0.159 0.000 0.857 246 L CB 1.205 43.203 42.059 -0.102 0.000 1.226 246 L HN 0.540 nan 8.230 nan 0.000 0.408 247 F N 4.178 124.118 119.950 -0.017 0.000 2.404 247 F HA 0.595 5.122 4.527 0.001 0.000 0.339 247 F C 0.510 176.320 175.800 0.017 0.000 1.105 247 F CA -0.194 57.800 58.000 -0.009 0.000 1.087 247 F CB 1.411 40.396 39.000 -0.024 0.000 1.143 247 F HN 0.315 nan 8.300 nan 0.000 0.491 248 K N 1.665 122.192 120.400 0.212 0.000 2.400 248 K HA 0.590 4.911 4.320 0.001 0.000 0.246 248 K C -1.174 175.513 176.600 0.145 0.000 0.995 248 K CA -1.150 55.227 56.287 0.149 0.000 0.840 248 K CB 2.627 35.181 32.500 0.091 0.000 1.293 248 K HN 0.229 nan 8.250 nan 0.000 0.445 249 V N 2.319 122.305 119.914 0.119 0.000 2.843 249 V HA -0.054 4.067 4.120 0.001 0.000 0.305 249 V C 0.082 176.236 176.094 0.100 0.000 1.065 249 V CA 0.829 63.193 62.300 0.105 0.000 1.116 249 V CB 0.485 32.365 31.823 0.094 0.000 0.968 249 V HN 0.871 nan 8.190 nan 0.000 0.487 250 D N 1.396 121.863 120.400 0.112 0.000 3.041 250 D HA -0.166 4.474 4.640 0.001 0.000 0.220 250 D C 0.226 176.576 176.300 0.084 0.000 1.157 250 D CA 1.306 55.367 54.000 0.101 0.000 0.876 250 D CB -0.791 40.054 40.800 0.076 0.000 1.107 250 D HN 0.775 nan 8.370 nan 0.000 0.422 251 Q N 0.205 120.067 119.800 0.104 0.000 2.230 251 Q HA 0.358 4.699 4.340 0.001 0.000 0.253 251 Q C -0.346 175.718 176.000 0.106 0.000 0.919 251 Q CA -0.471 55.391 55.803 0.100 0.000 0.908 251 Q CB 1.007 29.820 28.738 0.126 0.000 1.245 251 Q HN 0.097 nan 8.270 nan 0.000 0.437 252 E N 3.728 123.983 120.200 0.091 0.000 2.229 252 E HA 0.302 4.652 4.350 0.001 0.000 0.283 252 E C -0.247 176.421 176.600 0.114 0.000 1.030 252 E CA -0.139 56.323 56.400 0.104 0.000 0.836 252 E CB 0.852 30.615 29.700 0.105 0.000 1.068 252 E HN 0.499 nan 8.360 nan 0.000 0.401 253 I N -0.733 119.899 120.570 0.103 0.000 3.595 253 I HA 0.625 4.796 4.170 0.001 0.000 0.289 253 I C -1.080 174.988 176.117 -0.082 0.000 1.145 253 I CA -1.278 60.058 61.300 0.060 0.000 1.071 253 I CB 1.951 40.011 38.000 0.100 0.000 1.364 253 I HN 0.347 nan 8.210 nan 0.000 0.486 254 K N 0.481 120.779 120.400 -0.169 0.000 2.569 254 K HA 0.552 4.873 4.320 0.001 0.000 0.259 254 K C -2.069 174.401 176.600 -0.216 0.000 0.932 254 K CA -0.840 55.219 56.287 -0.380 0.000 0.833 254 K CB 2.143 34.132 32.500 -0.851 0.000 1.340 254 K HN 0.417 nan 8.250 nan 0.000 0.429 255 V N 4.364 124.173 119.914 -0.174 0.000 2.368 255 V HA 0.286 4.407 4.120 0.001 0.000 0.266 255 V C -0.060 175.989 176.094 -0.074 0.000 1.045 255 V CA -0.549 61.693 62.300 -0.095 0.000 0.899 255 V CB 0.237 32.024 31.823 -0.060 0.000 1.006 255 V HN 0.576 nan 8.190 nan 0.000 0.470 256 L N 6.695 127.886 121.223 -0.053 0.000 2.334 256 L HA 0.441 4.781 4.340 0.001 0.000 0.275 256 L C -1.567 175.293 176.870 -0.016 0.000 1.036 256 L CA -1.811 53.013 54.840 -0.027 0.000 0.807 256 L CB 1.845 43.894 42.059 -0.018 0.000 1.231 256 L HN 0.327 nan 8.230 nan 0.000 0.438 257 P HA 0.005 nan 4.420 nan 0.000 0.217 257 P C 0.702 178.054 177.300 0.088 0.000 1.151 257 P CA 0.979 64.065 63.100 -0.023 0.000 0.828 257 P CB 0.382 31.972 31.700 -0.182 0.000 0.788 258 G N -1.583 107.293 108.800 0.126 0.000 2.395 258 G HA2 -0.094 3.867 3.960 0.001 0.000 0.201 258 G HA3 -0.094 3.867 3.960 0.001 0.000 0.201 258 G C -1.428 173.549 174.900 0.128 0.000 1.206 258 G CA -0.687 44.478 45.100 0.108 0.000 1.210 258 G HN 0.169 nan 8.290 nan 0.000 0.557 259 L N 0.567 121.796 121.223 0.011 0.000 2.322 259 L HA 0.660 5.001 4.340 0.001 0.000 0.269 259 L C 0.932 177.537 176.870 -0.443 0.000 1.012 259 L CA -1.009 53.750 54.840 -0.136 0.000 0.815 259 L CB 1.717 43.734 42.059 -0.070 0.000 1.295 259 L HN 0.505 nan 8.230 nan 0.000 0.438 260 R N 0.685 120.846 120.500 -0.565 0.000 2.389 260 R HA 0.441 4.781 4.340 0.001 0.000 0.295 260 R C -1.202 174.954 176.300 -0.240 0.000 1.075 260 R CA -0.356 55.383 56.100 -0.602 0.000 1.005 260 R CB 1.198 31.235 30.300 -0.438 0.000 0.987 260 R HN 0.261 nan 8.270 nan 0.000 0.452 261 V N 3.816 123.642 119.914 -0.146 0.000 2.419 261 V HA 0.114 4.235 4.120 0.001 0.000 0.287 261 V C -0.414 175.677 176.094 -0.006 0.000 1.017 261 V CA -0.735 61.536 62.300 -0.049 0.000 0.844 261 V CB 1.546 33.359 31.823 -0.016 0.000 1.011 261 V HN 0.749 nan 8.190 nan 0.000 0.429 262 E N 4.935 125.132 120.200 -0.006 0.000 2.166 262 E HA 0.243 4.593 4.350 0.001 0.000 0.279 262 E C -0.061 176.545 176.600 0.010 0.000 1.095 262 E CA -0.200 56.205 56.400 0.009 0.000 0.888 262 E CB 0.523 30.226 29.700 0.005 0.000 1.041 262 E HN 0.702 nan 8.360 nan 0.000 0.414 263 K N 3.282 123.692 120.400 0.016 0.000 2.842 263 K HA 0.180 4.500 4.320 0.001 0.000 0.176 263 K C -0.458 176.149 176.600 0.011 0.000 1.080 263 K CA -0.687 55.609 56.287 0.015 0.000 0.954 263 K CB 0.848 33.362 32.500 0.023 0.000 1.203 263 K HN 0.427 nan 8.250 nan 0.000 0.611 264 Q N 0.589 120.393 119.800 0.007 0.000 2.440 264 Q HA -0.239 4.101 4.340 0.001 0.000 0.325 264 Q C 0.484 176.484 176.000 0.000 0.000 1.454 264 Q CA 0.865 56.669 55.803 0.003 0.000 0.828 264 Q CB -1.489 27.251 28.738 0.004 0.000 1.104 264 Q HN 1.205 nan 8.270 nan 0.000 0.358 265 G N 0.142 108.941 108.800 -0.001 0.000 2.420 265 G HA2 -0.312 3.648 3.960 0.001 0.000 0.221 265 G HA3 -0.312 3.648 3.960 0.001 0.000 0.221 265 G C -0.237 174.655 174.900 -0.012 0.000 1.117 265 G CA 0.315 45.410 45.100 -0.008 0.000 0.657 265 G HN 0.352 nan 8.290 nan 0.000 0.512 266 K N 0.698 121.094 120.400 -0.007 0.000 2.164 266 K HA 0.708 5.029 4.320 0.001 0.000 0.258 266 K C 0.228 176.840 176.600 0.020 0.000 0.951 266 K CA -0.130 56.151 56.287 -0.011 0.000 0.844 266 K CB 2.639 35.131 32.500 -0.013 0.000 1.099 266 K HN 0.988 nan 8.250 nan 0.000 0.435 267 V N -1.055 118.881 119.914 0.036 0.000 2.769 267 V HA 0.915 5.035 4.120 0.001 0.000 0.312 267 V C -0.335 175.915 176.094 0.259 0.000 1.058 267 V CA -0.568 61.799 62.300 0.112 0.000 0.952 267 V CB 1.680 33.579 31.823 0.127 0.000 1.019 267 V HN 0.877 nan 8.190 nan 0.000 0.445 268 S N 2.006 117.883 115.700 0.295 0.000 2.688 268 S HA 0.755 5.226 4.470 0.001 0.000 0.275 268 S C -1.717 173.047 174.600 0.274 0.000 1.175 268 S CA -0.736 57.751 58.200 0.478 0.000 0.818 268 S CB 1.595 64.990 63.200 0.325 0.000 1.157 268 S HN 0.787 nan 8.310 nan 0.000 0.482 269 Y N 0.865 121.230 120.300 0.110 0.000 2.345 269 Y HA 0.506 5.056 4.550 0.000 0.000 0.331 269 Y C 0.011 175.924 175.900 0.021 0.000 0.959 269 Y CA -0.513 57.586 58.100 -0.002 0.000 1.204 269 Y CB 1.478 39.847 38.460 -0.152 0.000 1.135 269 Y HN 0.677 nan 8.280 nan 0.000 0.477 270 E N 5.709 125.973 120.200 0.108 0.000 2.166 270 E HA 0.369 4.720 4.350 0.001 0.000 0.275 270 E C -2.470 174.195 176.600 0.108 0.000 0.941 270 E CA -2.267 54.202 56.400 0.116 0.000 0.784 270 E CB 1.217 30.977 29.700 0.102 0.000 1.115 270 E HN 0.321 nan 8.360 nan 0.000 0.399 271 P HA -0.040 nan 4.420 nan 0.000 0.270 271 P C -0.573 176.761 177.300 0.057 0.000 1.221 271 P CA 0.433 63.540 63.100 0.011 0.000 0.788 271 P CB 0.459 32.087 31.700 -0.120 0.000 0.904 272 I N 0.910 121.451 120.570 -0.048 0.000 2.502 272 I HA 0.281 4.451 4.170 0.001 0.000 0.276 272 I C -0.233 175.880 176.117 -0.007 0.000 1.057 272 I CA -0.542 60.782 61.300 0.040 0.000 1.163 272 I CB 0.064 38.076 38.000 0.021 0.000 1.288 272 I HN 0.144 nan 8.210 nan 0.000 0.479 273 F N 3.874 123.839 119.950 0.026 0.000 2.495 273 F HA 0.393 4.920 4.527 0.000 0.000 0.365 273 F C 0.999 176.815 175.800 0.027 0.000 1.090 273 F CA 0.569 58.585 58.000 0.026 0.000 1.235 273 F CB 1.047 40.060 39.000 0.020 0.000 1.119 273 F HN 0.383 nan 8.300 nan 0.000 0.562 274 T N 2.711 117.362 114.554 0.162 0.000 2.711 274 T HA 0.413 4.763 4.350 0.001 0.000 0.302 274 T C -1.365 173.407 174.700 0.121 0.000 1.373 274 T CA -0.992 61.185 62.100 0.129 0.000 1.000 274 T CB 1.291 70.219 68.868 0.101 0.000 1.483 274 T HN 0.500 nan 8.240 nan 0.000 0.499 275 K N 1.322 121.816 120.400 0.157 0.000 2.259 275 K HA 0.607 4.928 4.320 0.001 0.000 0.249 275 K C -0.594 176.156 176.600 0.249 0.000 0.942 275 K CA -0.805 55.586 56.287 0.174 0.000 0.816 275 K CB 1.761 34.292 32.500 0.052 0.000 1.155 275 K HN 0.452 nan 8.250 nan 0.000 0.428 276 I N 1.988 122.662 120.570 0.172 0.000 2.436 276 I HA -0.063 4.107 4.170 0.001 0.000 0.289 276 I C 1.315 177.526 176.117 0.156 0.000 1.083 276 I CA 0.287 61.657 61.300 0.116 0.000 1.372 276 I CB 1.307 39.360 38.000 0.089 0.000 1.408 276 I HN 0.740 nan 8.210 nan 0.000 0.516 277 S N 4.394 120.127 115.700 0.055 0.000 2.387 277 S HA 0.053 4.523 4.470 0.001 0.000 0.221 277 S C 0.651 175.244 174.600 -0.012 0.000 1.041 277 S CA 0.716 58.905 58.200 -0.018 0.000 0.959 277 S CB 0.274 63.275 63.200 -0.331 0.000 0.843 277 S HN 0.804 nan 8.310 nan 0.000 0.488 278 S N -0.228 115.448 115.700 -0.039 0.000 2.550 278 S HA 0.670 5.140 4.470 0.001 0.000 0.270 278 S C -1.163 173.426 174.600 -0.020 0.000 1.145 278 S CA -0.966 57.224 58.200 -0.016 0.000 0.852 278 S CB 1.220 64.399 63.200 -0.035 0.000 1.119 278 S HN 0.298 nan 8.310 nan 0.000 0.465 279 I N 1.651 122.241 120.570 0.033 0.000 2.474 279 I HA 0.603 4.773 4.170 0.001 0.000 0.294 279 I C 0.000 176.176 176.117 0.098 0.000 1.005 279 I CA -0.683 60.639 61.300 0.036 0.000 1.113 279 I CB 2.099 40.168 38.000 0.115 0.000 1.289 279 I HN 0.768 nan 8.210 nan 0.000 0.436 280 R N 6.035 126.543 120.500 0.014 0.000 2.625 280 R HA 0.337 4.678 4.340 0.001 0.000 0.286 280 R C -1.890 174.426 176.300 0.026 0.000 1.406 280 R CA -0.487 55.669 56.100 0.093 0.000 1.052 280 R CB 0.780 31.100 30.300 0.034 0.000 1.203 280 R HN 0.427 nan 8.270 nan 0.000 0.502 281 F N 4.601 124.679 119.950 0.213 0.000 2.423 281 F HA 0.271 4.799 4.527 0.000 0.000 0.356 281 F C 1.520 177.456 175.800 0.227 0.000 1.170 281 F CA 1.516 59.605 58.000 0.150 0.000 1.163 281 F CB 1.402 40.428 39.000 0.043 0.000 1.318 281 F HN 0.964 nan 8.300 nan 0.000 0.569 282 G N 3.190 112.163 108.800 0.288 0.000 4.655 282 G HA2 -0.431 3.530 3.960 0.001 0.000 0.220 282 G HA3 -0.431 3.530 3.960 0.001 0.000 0.220 282 G C 0.613 175.655 174.900 0.236 0.000 1.403 282 G CA 0.814 46.122 45.100 0.347 0.000 0.931 282 G HN 0.684 nan 8.290 nan 0.000 0.654 283 D N -0.842 119.701 120.400 0.238 0.000 2.489 283 D HA 0.226 4.866 4.640 0.001 0.000 0.343 283 D C 0.078 176.467 176.300 0.148 0.000 1.295 283 D CA 0.168 54.268 54.000 0.167 0.000 0.908 283 D CB -0.057 40.831 40.800 0.146 0.000 1.382 283 D HN 0.427 nan 8.370 nan 0.000 0.468 284 E N 1.000 121.329 120.200 0.214 0.000 2.166 284 E HA 0.324 4.674 4.350 0.001 0.000 0.275 284 E C -0.757 175.921 176.600 0.130 0.000 0.941 284 E CA -0.438 56.034 56.400 0.119 0.000 0.784 284 E CB 2.255 32.015 29.700 0.100 0.000 1.115 284 E HN 0.241 nan 8.360 nan 0.000 0.399 285 E N 2.988 123.167 120.200 -0.035 0.000 2.152 285 E HA 0.252 4.602 4.350 0.001 0.000 0.285 285 E C -0.949 175.588 176.600 -0.105 0.000 1.043 285 E CA -0.161 56.249 56.400 0.016 0.000 0.839 285 E CB 0.342 30.039 29.700 -0.006 0.000 1.069 285 E HN 0.237 nan 8.360 nan 0.000 0.399 286 F N 2.658 122.678 119.950 0.117 0.000 2.461 286 F HA 0.322 4.849 4.527 0.001 0.000 0.337 286 F C 1.524 177.380 175.800 0.093 0.000 1.079 286 F CA -0.651 57.420 58.000 0.118 0.000 1.032 286 F CB 0.899 40.013 39.000 0.189 0.000 1.327 286 F HN 0.376 nan 8.300 nan 0.000 0.491 287 K N 0.569 121.153 120.400 0.307 0.000 2.374 287 K HA 0.189 4.509 4.320 0.001 0.000 0.202 287 K C -0.837 175.874 176.600 0.185 0.000 1.040 287 K CA 0.344 56.742 56.287 0.186 0.000 1.085 287 K CB 0.204 32.780 32.500 0.127 0.000 0.873 287 K HN 0.875 nan 8.250 nan 0.000 0.539 288 E N -0.397 119.944 120.200 0.234 0.000 2.400 288 E HA 0.583 4.934 4.350 0.001 0.000 0.285 288 E C -1.843 174.887 176.600 0.216 0.000 1.005 288 E CA -0.993 55.521 56.400 0.191 0.000 0.816 288 E CB 1.397 31.176 29.700 0.132 0.000 1.220 288 E HN 0.068 nan 8.360 nan 0.000 0.426 289 A N 2.699 125.662 122.820 0.240 0.000 2.342 289 A HA 0.736 5.057 4.320 0.001 0.000 0.323 289 A C -0.856 176.866 177.584 0.230 0.000 1.125 289 A CA -0.772 51.460 52.037 0.326 0.000 0.785 289 A CB 1.203 20.353 19.000 0.250 0.000 1.221 289 A HN 0.546 nan 8.150 nan 0.000 0.463 290 K N 1.587 122.095 120.400 0.179 0.000 2.395 290 K HA 0.594 4.914 4.320 0.001 0.000 0.245 290 K C -2.925 173.730 176.600 0.091 0.000 1.017 290 K CA -2.129 54.204 56.287 0.077 0.000 0.852 290 K CB 1.338 33.822 32.500 -0.027 0.000 1.311 290 K HN 0.333 nan 8.250 nan 0.000 0.452 291 P HA -0.026 nan 4.420 nan 0.000 0.266 291 P C -0.409 176.900 177.300 0.015 0.000 1.193 291 P CA 0.879 63.987 63.100 0.014 0.000 0.770 291 P CB 0.250 31.930 31.700 -0.034 0.000 0.836 292 G N 0.843 109.665 108.800 0.037 0.000 3.307 292 G HA2 0.431 4.391 3.960 0.001 0.000 0.686 292 G HA3 0.431 4.391 3.960 0.001 0.000 0.686 292 G C -0.096 174.886 174.900 0.137 0.000 0.983 292 G CA -0.114 45.009 45.100 0.038 0.000 0.804 292 G HN 0.993 nan 8.290 nan 0.000 0.531 293 G N 0.533 109.445 108.800 0.186 0.000 3.209 293 G HA2 0.247 4.207 3.960 0.001 0.000 0.686 293 G HA3 0.247 4.207 3.960 0.001 0.000 0.686 293 G C -0.084 174.974 174.900 0.263 0.000 1.065 293 G CA -0.308 45.018 45.100 0.377 0.000 0.812 293 G HN 1.653 nan 8.290 nan 0.000 0.573 294 L N 1.908 123.160 121.223 0.049 0.000 2.433 294 L HA 0.428 4.768 4.340 0.001 0.000 0.275 294 L C 1.025 177.590 176.870 -0.509 0.000 1.128 294 L CA -0.518 54.126 54.840 -0.328 0.000 0.875 294 L CB 0.956 42.621 42.059 -0.656 0.000 1.171 294 L HN 0.565 nan 8.230 nan 0.000 0.463 295 V N 4.209 123.768 119.914 -0.590 0.000 2.513 295 V HA 0.748 4.869 4.120 0.001 0.000 0.299 295 V C 0.096 175.896 176.094 -0.490 0.000 1.035 295 V CA -0.409 61.382 62.300 -0.848 0.000 0.889 295 V CB 1.774 32.930 31.823 -1.111 0.000 0.988 295 V HN 0.794 nan 8.190 nan 0.000 0.440 296 A N 7.418 130.005 122.820 -0.388 0.000 2.249 296 A HA 0.783 5.103 4.320 0.001 0.000 0.314 296 A C -0.766 176.673 177.584 -0.240 0.000 1.290 296 A CA -0.401 51.482 52.037 -0.257 0.000 0.893 296 A CB 0.209 19.119 19.000 -0.150 0.000 1.165 296 A HN 0.764 nan 8.150 nan 0.000 0.530 297 I N 2.931 123.346 120.570 -0.258 0.000 2.330 297 I HA 0.376 4.546 4.170 0.001 0.000 0.286 297 I C 1.086 177.077 176.117 -0.210 0.000 1.025 297 I CA 0.105 61.270 61.300 -0.224 0.000 1.197 297 I CB 1.559 39.401 38.000 -0.263 0.000 1.358 297 I HN 0.658 nan 8.210 nan 0.000 0.467 298 G N 3.981 112.677 108.800 -0.173 0.000 2.491 298 G HA2 0.510 4.470 3.960 0.001 0.000 0.242 298 G HA3 0.510 4.470 3.960 0.001 0.000 0.242 298 G C 0.145 174.943 174.900 -0.170 0.000 1.266 298 G CA 0.128 45.117 45.100 -0.185 0.000 0.844 298 G HN 0.609 nan 8.290 nan 0.000 0.571 299 T N -1.755 112.686 114.554 -0.189 0.000 2.604 299 T HA 0.429 4.780 4.350 0.001 0.000 0.267 299 T C -0.121 174.449 174.700 -0.216 0.000 0.923 299 T CA -0.646 61.384 62.100 -0.117 0.000 1.077 299 T CB 1.083 69.918 68.868 -0.054 0.000 1.392 299 T HN 0.324 nan 8.240 nan 0.000 0.531 300 Y N -0.094 120.192 120.300 -0.024 0.000 2.696 300 Y HA 0.523 5.074 4.550 0.001 0.000 0.260 300 Y C 0.258 176.156 175.900 -0.004 0.000 1.165 300 Y CA -0.659 57.436 58.100 -0.007 0.000 1.189 300 Y CB 0.320 38.784 38.460 0.008 0.000 1.180 300 Y HN 0.231 nan 8.280 nan 0.000 0.538 301 L N 0.525 121.790 121.223 0.069 0.000 2.375 301 L HA 0.163 4.503 4.340 0.001 0.000 0.271 301 L C 0.210 177.093 176.870 0.023 0.000 1.107 301 L CA -0.621 54.245 54.840 0.045 0.000 0.806 301 L CB 0.651 42.715 42.059 0.009 0.000 1.146 301 L HN 0.105 nan 8.230 nan 0.000 0.447 302 D N 3.525 123.944 120.400 0.031 0.000 2.472 302 D HA 0.011 4.652 4.640 0.001 0.000 0.248 302 D C -1.700 174.605 176.300 0.007 0.000 1.174 302 D CA -1.146 52.868 54.000 0.024 0.000 0.883 302 D CB 1.127 41.944 40.800 0.027 0.000 1.149 302 D HN 0.166 nan 8.370 nan 0.000 0.488 303 P HA -0.095 nan 4.420 nan 0.000 0.226 303 P C 0.651 177.956 177.300 0.010 0.000 1.146 303 P CA 0.788 63.886 63.100 -0.002 0.000 0.773 303 P CB 0.208 31.912 31.700 0.007 0.000 0.772 304 S N -1.270 114.438 115.700 0.013 0.000 2.561 304 S HA 0.059 4.529 4.470 0.001 0.000 0.225 304 S C 1.540 176.148 174.600 0.013 0.000 0.977 304 S CA 0.627 58.837 58.200 0.016 0.000 0.926 304 S CB -0.587 62.623 63.200 0.016 0.000 0.769 304 S HN 0.218 nan 8.310 nan 0.000 0.533 305 L N 1.015 122.243 121.223 0.008 0.000 2.354 305 L HA 0.047 4.387 4.340 0.001 0.000 0.212 305 L C 2.544 179.414 176.870 0.000 0.000 1.091 305 L CA 1.113 55.956 54.840 0.005 0.000 0.828 305 L CB -0.628 41.433 42.059 0.003 0.000 0.973 305 L HN 0.422 nan 8.230 nan 0.000 0.461 306 T N -2.752 111.798 114.554 -0.007 0.000 3.053 306 T HA 0.058 4.408 4.350 0.001 0.000 0.236 306 T C 1.442 176.163 174.700 0.036 0.000 0.996 306 T CA 0.395 62.489 62.100 -0.011 0.000 1.185 306 T CB -0.042 68.782 68.868 -0.073 0.000 0.892 306 T HN 0.191 nan 8.240 nan 0.000 0.432 307 K N 2.906 123.334 120.400 0.047 0.000 2.389 307 K HA -0.349 3.971 4.320 0.001 0.000 0.213 307 K C 1.570 178.234 176.600 0.106 0.000 0.693 307 K CA 2.048 58.384 56.287 0.081 0.000 1.077 307 K CB -1.977 30.552 32.500 0.049 0.000 0.677 307 K HN 0.554 nan 8.250 nan 0.000 0.793 308 A N 1.842 124.701 122.820 0.065 0.000 3.117 308 A HA 0.171 4.492 4.320 0.001 0.000 0.255 308 A C 0.147 177.762 177.584 0.053 0.000 1.583 308 A CA 0.635 52.703 52.037 0.050 0.000 1.234 308 A CB -0.637 18.380 19.000 0.027 0.000 1.076 308 A HN 0.606 nan 8.150 nan 0.000 0.653 309 D N -0.772 119.682 120.400 0.090 0.000 3.059 309 D HA -0.227 4.414 4.640 0.001 0.000 0.220 309 D C 0.933 177.264 176.300 0.051 0.000 1.169 309 D CA 1.350 55.401 54.000 0.085 0.000 0.902 309 D CB -1.412 39.422 40.800 0.057 0.000 1.116 309 D HN 0.615 nan 8.370 nan 0.000 0.417 310 N N -0.014 118.711 118.700 0.041 0.000 2.061 310 N HA -0.151 4.590 4.740 0.001 0.000 0.193 310 N C 1.393 176.917 175.510 0.023 0.000 1.030 310 N CA 1.273 54.340 53.050 0.029 0.000 0.856 310 N CB -0.344 38.158 38.487 0.024 0.000 1.023 310 N HN 0.353 nan 8.380 nan 0.000 0.424 311 L N 0.843 122.074 121.223 0.013 0.000 2.718 311 L HA 0.278 4.618 4.340 0.001 0.000 0.242 311 L C -0.117 176.751 176.870 -0.003 0.000 1.203 311 L CA -0.025 54.814 54.840 -0.001 0.000 1.011 311 L CB -1.053 40.992 42.059 -0.025 0.000 1.250 311 L HN 0.266 nan 8.230 nan 0.000 0.437 312 L N -0.536 120.695 121.223 0.013 0.000 2.436 312 L HA 0.612 4.952 4.340 0.001 0.000 0.265 312 L C 1.296 178.172 176.870 0.011 0.000 1.168 312 L CA 1.082 55.930 54.840 0.014 0.000 0.815 312 L CB 0.846 42.921 42.059 0.028 0.000 1.109 312 L HN 0.344 nan 8.230 nan 0.000 0.462 313 G N 1.890 110.695 108.800 0.009 0.000 2.527 313 G HA2 -0.287 3.673 3.960 0.001 0.000 0.218 313 G HA3 -0.287 3.673 3.960 0.001 0.000 0.218 313 G C 0.325 175.228 174.900 0.006 0.000 1.177 313 G CA 0.326 45.431 45.100 0.010 0.000 0.695 313 G HN 1.188 nan 8.290 nan 0.000 0.517 314 S N 2.402 118.100 115.700 -0.003 0.000 2.596 314 S HA 0.630 5.100 4.470 0.001 0.000 0.260 314 S C 0.620 175.217 174.600 -0.005 0.000 1.336 314 S CA 0.276 58.472 58.200 -0.005 0.000 0.993 314 S CB 1.497 64.691 63.200 -0.010 0.000 0.923 314 S HN 1.698 nan 8.310 nan 0.000 0.567 315 I N -1.568 119.007 120.570 0.007 0.000 3.023 315 I HA 0.672 4.842 4.170 0.001 0.000 0.312 315 I C -1.079 175.020 176.117 -0.030 0.000 1.056 315 I CA -1.610 59.684 61.300 -0.009 0.000 1.033 315 I CB 1.179 39.205 38.000 0.044 0.000 1.233 315 I HN 0.738 nan 8.210 nan 0.000 0.462 316 I N 2.571 123.108 120.570 -0.055 0.000 2.545 316 I HA 0.477 4.647 4.170 0.001 0.000 0.292 316 I C 0.378 176.543 176.117 0.080 0.000 1.040 316 I CA -0.290 60.988 61.300 -0.037 0.000 1.068 316 I CB 2.334 40.259 38.000 -0.125 0.000 1.251 316 I HN 0.902 nan 8.210 nan 0.000 0.424 317 T N 3.026 117.635 114.554 0.092 0.000 2.555 317 T HA 0.641 4.991 4.350 0.001 0.000 0.234 317 T C -0.217 174.563 174.700 0.133 0.000 0.837 317 T CA -0.837 61.338 62.100 0.125 0.000 1.163 317 T CB 0.748 69.632 68.868 0.025 0.000 1.556 317 T HN 0.299 nan 8.240 nan 0.000 0.520 318 L N 0.740 121.974 121.223 0.018 0.000 2.352 318 L HA 0.643 4.983 4.340 0.001 0.000 0.269 318 L C 2.007 178.875 176.870 -0.004 0.000 1.034 318 L CA -1.009 53.841 54.840 0.016 0.000 0.806 318 L CB 1.276 43.313 42.059 -0.036 0.000 1.244 318 L HN 0.941 nan 8.230 nan 0.000 0.447 319 A N 1.172 124.013 122.820 0.036 0.000 1.869 319 A HA -0.235 4.085 4.320 0.001 0.000 0.218 319 A C 0.816 178.495 177.584 0.158 0.000 1.203 319 A CA 1.819 53.921 52.037 0.108 0.000 0.638 319 A CB -0.600 18.588 19.000 0.313 0.000 0.831 319 A HN 0.856 nan 8.150 nan 0.000 0.450 320 D N -1.435 119.038 120.400 0.122 0.000 2.325 320 D HA 0.540 5.181 4.640 0.001 0.000 0.251 320 D C 0.246 176.574 176.300 0.047 0.000 1.196 320 D CA 0.606 54.662 54.000 0.092 0.000 0.866 320 D CB 1.076 41.917 40.800 0.067 0.000 1.101 320 D HN 0.239 nan 8.370 nan 0.000 0.476 321 A N 3.667 126.517 122.820 0.049 0.000 1.704 321 A HA 0.219 4.539 4.320 0.001 0.000 0.211 321 A C 0.375 177.986 177.584 0.046 0.000 1.792 321 A CA -0.098 51.959 52.037 0.033 0.000 1.264 321 A CB 0.110 19.122 19.000 0.021 0.000 1.235 321 A HN 0.482 nan 8.150 nan 0.000 0.440 322 E N -0.086 120.148 120.200 0.055 0.000 2.298 322 E HA -0.126 4.224 4.350 0.001 0.000 0.235 322 E C -0.983 175.653 176.600 0.060 0.000 1.167 322 E CA 0.769 57.203 56.400 0.056 0.000 0.708 322 E CB -1.829 27.900 29.700 0.049 0.000 1.236 322 E HN 0.351 nan 8.360 nan 0.000 0.386 323 V N 1.673 121.624 119.914 0.063 0.000 2.357 323 V HA 0.267 4.387 4.120 0.001 0.000 0.284 323 V C -1.926 174.200 176.094 0.054 0.000 1.018 323 V CA -1.456 60.889 62.300 0.075 0.000 0.841 323 V CB 1.615 33.496 31.823 0.098 0.000 0.991 323 V HN 0.049 nan 8.190 nan 0.000 0.437 324 P HA 0.098 nan 4.420 nan 0.000 0.269 324 P C -0.454 176.844 177.300 -0.005 0.000 1.263 324 P CA 0.144 63.257 63.100 0.020 0.000 0.813 324 P CB 0.739 32.443 31.700 0.008 0.000 0.868 325 V N 6.422 126.329 119.914 -0.012 0.000 2.339 325 V HA 0.269 4.389 4.120 0.001 0.000 0.261 325 V C -0.619 175.409 176.094 -0.110 0.000 1.058 325 V CA -0.356 61.899 62.300 -0.075 0.000 0.897 325 V CB -0.642 31.130 31.823 -0.086 0.000 1.052 325 V HN 0.269 nan 8.190 nan 0.000 0.480 326 L N 6.353 127.507 121.223 -0.115 0.000 2.325 326 L HA 0.479 4.819 4.340 0.001 0.000 0.278 326 L C 0.382 177.193 176.870 -0.099 0.000 1.023 326 L CA -0.583 54.230 54.840 -0.045 0.000 0.811 326 L CB 1.563 43.620 42.059 -0.003 0.000 1.249 326 L HN 0.591 nan 8.230 nan 0.000 0.431 327 W N 0.308 121.584 121.300 -0.039 0.000 2.417 327 W HA -0.029 4.631 4.660 0.000 0.000 0.322 327 W C 1.019 177.513 176.519 -0.041 0.000 1.166 327 W CA 0.439 57.757 57.345 -0.045 0.000 1.296 327 W CB -0.270 29.179 29.460 -0.018 0.000 1.198 327 W HN 0.416 nan 8.180 nan 0.000 0.457 328 N N 1.597 120.448 118.700 0.252 0.000 2.508 328 N HA 0.292 5.032 4.740 0.001 0.000 0.264 328 N C -0.218 175.328 175.510 0.060 0.000 1.216 328 N CA 0.118 53.239 53.050 0.118 0.000 0.943 328 N CB 0.457 38.995 38.487 0.085 0.000 1.113 328 N HN 0.128 nan 8.380 nan 0.000 0.447 329 I N -2.566 118.020 120.570 0.028 0.000 2.894 329 I HA 0.563 4.734 4.170 0.001 0.000 0.302 329 I C -0.936 175.178 176.117 -0.005 0.000 1.188 329 I CA -1.271 60.029 61.300 -0.001 0.000 1.014 329 I CB 2.298 40.285 38.000 -0.022 0.000 1.242 329 I HN 0.165 nan 8.210 nan 0.000 0.430 330 R N 4.997 125.489 120.500 -0.014 0.000 2.229 330 R HA 0.702 5.042 4.340 0.001 0.000 0.332 330 R C -0.979 175.310 176.300 -0.019 0.000 0.989 330 R CA -0.423 55.669 56.100 -0.014 0.000 0.842 330 R CB 1.452 31.743 30.300 -0.015 0.000 1.119 330 R HN 0.567 nan 8.270 nan 0.000 0.456 331 I N 3.201 123.765 120.570 -0.010 0.000 2.389 331 I HA 0.211 4.381 4.170 0.001 0.000 0.288 331 I C -0.092 176.028 176.117 0.006 0.000 0.999 331 I CA -0.921 60.374 61.300 -0.010 0.000 1.129 331 I CB 1.978 39.978 38.000 -0.001 0.000 1.288 331 I HN 0.446 nan 8.210 nan 0.000 0.444 332 K N 7.681 128.059 120.400 -0.036 0.000 2.171 332 K HA 0.166 4.487 4.320 0.001 0.000 0.274 332 K C -0.287 176.220 176.600 -0.156 0.000 1.110 332 K CA -0.366 55.877 56.287 -0.073 0.000 0.952 332 K CB -0.060 32.365 32.500 -0.126 0.000 1.309 332 K HN 0.433 nan 8.250 nan 0.000 0.414 333 Y N 0.748 120.926 120.300 -0.203 0.000 2.321 333 Y HA 0.035 4.585 4.550 0.001 0.000 0.353 333 Y C -0.454 175.207 175.900 -0.398 0.000 1.276 333 Y CA -0.399 57.543 58.100 -0.264 0.000 1.545 333 Y CB 0.458 38.819 38.460 -0.166 0.000 1.377 333 Y HN 0.352 nan 8.280 nan 0.000 0.650 334 N N 0.662 118.956 118.700 -0.677 0.000 2.225 334 N HA 0.345 5.086 4.740 0.001 0.000 0.298 334 N C -2.066 173.215 175.510 -0.382 0.000 1.076 334 N CA -0.922 51.623 53.050 -0.842 0.000 0.792 334 N CB 1.830 39.389 38.487 -1.547 0.000 1.498 334 N HN 0.690 nan 8.380 nan 0.000 0.474 335 L N 3.789 124.845 121.223 -0.278 0.000 2.334 335 L HA 0.414 4.754 4.340 0.001 0.000 0.286 335 L C -0.786 176.119 176.870 0.058 0.000 1.108 335 L CA -0.300 54.512 54.840 -0.047 0.000 0.875 335 L CB -0.383 41.645 42.059 -0.052 0.000 1.246 335 L HN 0.465 nan 8.230 nan 0.000 0.439 336 L N 1.224 122.521 121.223 0.124 0.000 2.399 336 L HA 0.664 5.004 4.340 0.001 0.000 0.265 336 L C 0.323 177.261 176.870 0.114 0.000 1.089 336 L CA -0.740 54.202 54.840 0.169 0.000 0.802 336 L CB 0.949 43.144 42.059 0.226 0.000 1.180 336 L HN 0.401 nan 8.230 nan 0.000 0.454 337 E N 0.889 121.151 120.200 0.103 0.000 4.517 337 E HA 0.213 4.563 4.350 0.001 0.000 0.408 337 E C -0.335 176.308 176.600 0.071 0.000 1.456 337 E CA -0.324 56.122 56.400 0.077 0.000 2.449 337 E CB 0.161 29.903 29.700 0.070 0.000 1.556 337 E HN 0.647 nan 8.360 nan 0.000 0.781 338 R N 0.304 120.838 120.500 0.057 0.000 2.490 338 R HA 0.239 4.579 4.340 0.001 0.000 0.280 338 R C 0.108 176.437 176.300 0.048 0.000 1.077 338 R CA -0.165 55.964 56.100 0.048 0.000 1.065 338 R CB 0.873 31.195 30.300 0.037 0.000 1.003 338 R HN 0.344 nan 8.270 nan 0.000 0.470 339 V N 2.500 122.437 119.914 0.039 0.000 3.161 339 V HA 0.071 4.191 4.120 0.001 0.000 0.228 339 V C -0.274 175.829 176.094 0.015 0.000 1.415 339 V CA 0.102 62.427 62.300 0.042 0.000 1.285 339 V CB 1.222 33.078 31.823 0.056 0.000 1.100 339 V HN 0.535 nan 8.190 nan 0.000 0.478 340 V N 2.341 122.252 119.914 -0.005 0.000 2.258 340 V HA 0.554 4.675 4.120 0.001 0.000 0.258 340 V C 1.605 177.663 176.094 -0.059 0.000 1.121 340 V CA 0.823 63.094 62.300 -0.049 0.000 0.942 340 V CB 0.353 32.136 31.823 -0.068 0.000 1.170 340 V HN 0.467 nan 8.190 nan 0.000 0.487 341 G N 4.538 113.306 108.800 -0.054 0.000 2.527 341 G HA2 -0.090 3.870 3.960 0.001 0.000 0.219 341 G HA3 -0.090 3.870 3.960 0.001 0.000 0.219 341 G C 0.972 175.838 174.900 -0.058 0.000 1.117 341 G CA 0.684 45.757 45.100 -0.045 0.000 0.759 341 G HN 0.995 nan 8.290 nan 0.000 0.556 342 A N -1.035 121.730 122.820 -0.092 0.000 2.610 342 A HA 0.634 4.955 4.320 0.001 0.000 0.286 342 A C 1.215 178.749 177.584 -0.083 0.000 1.306 342 A CA 0.584 52.564 52.037 -0.096 0.000 0.942 342 A CB 0.062 18.971 19.000 -0.151 0.000 1.112 342 A HN 0.337 nan 8.150 nan 0.000 0.527 343 K N -0.984 119.381 120.400 -0.057 0.000 3.056 343 K HA 0.176 4.496 4.320 0.001 0.000 0.231 343 K C -1.145 175.449 176.600 -0.010 0.000 2.020 343 K CA 0.130 56.401 56.287 -0.026 0.000 1.343 343 K CB 0.690 33.176 32.500 -0.025 0.000 2.325 343 K HN 0.040 nan 8.250 nan 0.000 0.513 344 E N 1.056 121.251 120.200 -0.008 0.000 7.508 344 E HA -0.080 4.270 4.350 0.001 0.000 0.230 344 E C -1.004 175.602 176.600 0.010 0.000 0.857 344 E CA 0.887 57.287 56.400 -0.000 0.000 1.624 344 E CB -0.838 28.861 29.700 -0.003 0.000 0.900 344 E HN 0.490 nan 8.360 nan 0.000 0.262 345 M N 0.770 120.380 119.600 0.016 0.000 2.803 345 M HA 0.600 5.080 4.480 0.001 0.000 0.283 345 M C 0.183 176.497 176.300 0.024 0.000 1.149 345 M CA -0.894 54.419 55.300 0.021 0.000 0.852 345 M CB 1.215 33.829 32.600 0.025 0.000 1.731 345 M HN 0.309 nan 8.290 nan 0.000 0.483 346 L N -0.462 120.777 121.223 0.026 0.000 2.924 346 L HA 0.411 4.752 4.340 0.001 0.000 0.172 346 L C 1.759 178.649 176.870 0.034 0.000 1.292 346 L CA 0.130 54.987 54.840 0.028 0.000 0.870 346 L CB -0.038 42.035 42.059 0.024 0.000 1.305 346 L HN 0.696 nan 8.230 nan 0.000 0.535 347 K N -0.947 119.473 120.400 0.034 0.000 3.736 347 K HA 0.420 4.740 4.320 0.001 0.000 0.223 347 K C -0.897 175.730 176.600 0.044 0.000 1.121 347 K CA -0.193 56.117 56.287 0.040 0.000 1.731 347 K CB 1.095 33.617 32.500 0.036 0.000 2.462 347 K HN -0.048 nan 8.250 nan 0.000 0.657 348 V N 0.474 120.414 119.914 0.043 0.000 3.265 348 V HA 0.103 4.223 4.120 0.001 0.000 0.275 348 V C -2.189 173.927 176.094 0.036 0.000 1.684 348 V CA -0.901 61.426 62.300 0.044 0.000 1.032 348 V CB 1.837 33.695 31.823 0.057 0.000 1.250 348 V HN 0.713 nan 8.190 nan 0.000 0.468 349 D N 5.025 125.445 120.400 0.033 0.000 2.412 349 D HA 0.358 4.998 4.640 0.001 0.000 0.257 349 D C -2.174 174.132 176.300 0.010 0.000 1.217 349 D CA -0.196 53.817 54.000 0.022 0.000 0.897 349 D CB 0.881 41.695 40.800 0.024 0.000 1.132 349 D HN 0.419 nan 8.370 nan 0.000 0.493 350 P HA 0.117 nan 4.420 nan 0.000 0.278 350 P C -0.104 177.153 177.300 -0.072 0.000 1.270 350 P CA -0.242 62.838 63.100 -0.033 0.000 0.800 350 P CB 0.585 32.266 31.700 -0.032 0.000 1.142 351 I N 0.454 120.935 120.570 -0.149 0.000 2.337 351 I HA 0.280 4.450 4.170 0.001 0.000 0.285 351 I C 0.668 176.694 176.117 -0.153 0.000 1.041 351 I CA -0.559 60.630 61.300 -0.184 0.000 1.199 351 I CB 0.765 38.556 38.000 -0.349 0.000 1.370 351 I HN 0.199 nan 8.210 nan 0.000 0.470 352 R N 3.496 123.940 120.500 -0.093 0.000 2.541 352 R HA 0.742 5.082 4.340 0.001 0.000 0.254 352 R C 0.096 176.358 176.300 -0.063 0.000 1.130 352 R CA -0.464 55.594 56.100 -0.070 0.000 1.152 352 R CB 0.524 30.797 30.300 -0.043 0.000 1.222 352 R HN 0.647 nan 8.270 nan 0.000 0.579 353 A N 0.578 123.369 122.820 -0.047 0.000 2.287 353 A HA 0.280 4.601 4.320 0.001 0.000 0.273 353 A C -0.459 177.109 177.584 -0.027 0.000 1.091 353 A CA -0.403 51.612 52.037 -0.038 0.000 0.817 353 A CB 0.076 19.058 19.000 -0.032 0.000 1.069 353 A HN 0.667 nan 8.150 nan 0.000 0.492 354 K N -0.611 119.777 120.400 -0.021 0.000 3.213 354 K HA -0.200 4.120 4.320 0.001 0.000 0.266 354 K C -0.284 176.310 176.600 -0.010 0.000 0.911 354 K CA 1.280 57.559 56.287 -0.013 0.000 0.684 354 K CB -0.894 31.600 32.500 -0.010 0.000 1.402 354 K HN 0.747 nan 8.250 nan 0.000 0.465 355 E N 0.205 120.397 120.200 -0.014 0.000 2.195 355 E HA 0.264 4.614 4.350 0.001 0.000 0.271 355 E C -0.931 175.667 176.600 -0.003 0.000 0.923 355 E CA -0.538 55.856 56.400 -0.010 0.000 0.790 355 E CB 1.296 30.984 29.700 -0.020 0.000 1.155 355 E HN 0.081 nan 8.360 nan 0.000 0.402 356 T N 4.264 118.821 114.554 0.005 0.000 2.749 356 T HA 0.516 4.867 4.350 0.001 0.000 0.295 356 T C -0.650 174.059 174.700 0.016 0.000 0.936 356 T CA -0.318 61.790 62.100 0.013 0.000 1.060 356 T CB 0.002 68.881 68.868 0.018 0.000 0.904 356 T HN 0.252 nan 8.240 nan 0.000 0.500 357 L N 2.936 124.169 121.223 0.018 0.000 2.388 357 L HA 0.564 4.904 4.340 0.001 0.000 0.264 357 L C -0.172 176.716 176.870 0.030 0.000 0.998 357 L CA -0.796 54.058 54.840 0.024 0.000 0.817 357 L CB 2.005 44.073 42.059 0.016 0.000 1.338 357 L HN 0.463 nan 8.230 nan 0.000 0.414 358 M N 3.216 122.839 119.600 0.039 0.000 2.077 358 M HA 0.365 4.845 4.480 0.001 0.000 0.348 358 M C -1.468 174.858 176.300 0.043 0.000 1.252 358 M CA -0.548 54.776 55.300 0.041 0.000 1.096 358 M CB 0.329 32.959 32.600 0.050 0.000 1.568 358 M HN 0.356 nan 8.290 nan 0.000 0.456 359 L N 5.180 126.422 121.223 0.032 0.000 2.268 359 L HA 0.250 4.591 4.340 0.001 0.000 0.289 359 L C 0.650 177.538 176.870 0.030 0.000 1.064 359 L CA 0.030 54.889 54.840 0.031 0.000 0.824 359 L CB 0.665 42.734 42.059 0.016 0.000 1.202 359 L HN 0.709 nan 8.230 nan 0.000 0.433 360 S N 2.109 117.837 115.700 0.046 0.000 3.919 360 S HA 0.277 4.747 4.470 0.001 0.000 0.245 360 S C 0.125 174.751 174.600 0.043 0.000 1.344 360 S CA -0.787 57.440 58.200 0.045 0.000 0.896 360 S CB -0.304 62.929 63.200 0.056 0.000 1.557 360 S HN 0.233 nan 8.310 nan 0.000 0.468 361 V N 4.328 124.258 119.914 0.027 0.000 2.370 361 V HA 0.517 4.637 4.120 0.001 0.000 0.257 361 V C 1.589 177.716 176.094 0.055 0.000 1.064 361 V CA 0.772 63.087 62.300 0.025 0.000 0.975 361 V CB -0.590 31.226 31.823 -0.011 0.000 1.067 361 V HN 1.117 nan 8.190 nan 0.000 0.485 362 G N 5.605 114.457 108.800 0.086 0.000 3.729 362 G HA2 -0.346 3.615 3.960 0.001 0.000 0.327 362 G HA3 -0.346 3.615 3.960 0.001 0.000 0.327 362 G C 0.776 175.714 174.900 0.064 0.000 1.293 362 G CA 0.865 46.028 45.100 0.104 0.000 1.011 362 G HN 1.575 nan 8.290 nan 0.000 0.673 363 S N -0.511 115.220 115.700 0.051 0.000 3.021 363 S HA 0.606 5.077 4.470 0.001 0.000 0.252 363 S C 0.110 174.728 174.600 0.029 0.000 0.996 363 S CA 0.916 59.138 58.200 0.037 0.000 1.084 363 S CB 0.366 63.584 63.200 0.030 0.000 1.021 363 S HN 2.002 nan 8.310 nan 0.000 0.566 364 S N 1.552 117.266 115.700 0.024 0.000 2.541 364 S HA 0.590 5.061 4.470 0.001 0.000 0.283 364 S C 0.154 174.762 174.600 0.012 0.000 1.196 364 S CA -0.261 57.943 58.200 0.008 0.000 1.062 364 S CB 1.121 64.311 63.200 -0.016 0.000 1.009 364 S HN 0.495 nan 8.310 nan 0.000 0.502 365 T N -0.424 114.137 114.554 0.012 0.000 3.383 365 T HA 0.312 4.662 4.350 0.001 0.000 0.324 365 T C 0.098 174.804 174.700 0.011 0.000 1.822 365 T CA -0.560 61.552 62.100 0.019 0.000 1.424 365 T CB -0.228 68.657 68.868 0.029 0.000 1.093 365 T HN 0.696 nan 8.240 nan 0.000 0.748 366 T N 2.918 117.472 114.554 -0.001 0.000 2.817 366 T HA 0.510 4.860 4.350 0.001 0.000 0.293 366 T C -0.110 174.597 174.700 0.012 0.000 0.964 366 T CA -0.747 61.348 62.100 -0.008 0.000 1.085 366 T CB 0.060 68.904 68.868 -0.039 0.000 0.921 366 T HN 0.557 nan 8.240 nan 0.000 0.502 367 L N 5.297 126.533 121.223 0.022 0.000 2.272 367 L HA 0.518 4.858 4.340 0.001 0.000 0.284 367 L C 0.918 177.809 176.870 0.035 0.000 1.045 367 L CA -0.851 54.007 54.840 0.030 0.000 0.842 367 L CB 1.014 43.093 42.059 0.034 0.000 1.224 367 L HN 0.793 nan 8.230 nan 0.000 0.430 368 G N 3.915 112.732 108.800 0.029 0.000 2.437 368 G HA2 0.549 4.509 3.960 0.001 0.000 0.315 368 G HA3 0.549 4.509 3.960 0.001 0.000 0.315 368 G C -0.510 174.403 174.900 0.022 0.000 1.210 368 G CA -0.510 44.610 45.100 0.033 0.000 0.943 368 G HN 0.320 nan 8.290 nan 0.000 0.471 369 I N 2.383 122.967 120.570 0.024 0.000 2.598 369 I HA -0.021 4.149 4.170 0.001 0.000 0.284 369 I C 0.940 177.059 176.117 0.002 0.000 1.140 369 I CA 0.331 61.637 61.300 0.011 0.000 1.420 369 I CB 1.252 39.260 38.000 0.012 0.000 1.387 369 I HN 0.198 nan 8.210 nan 0.000 0.553 370 V N 6.328 126.236 119.914 -0.010 0.000 2.872 370 V HA 0.092 4.213 4.120 0.001 0.000 0.307 370 V C 1.155 177.238 176.094 -0.018 0.000 1.072 370 V CA 0.932 63.219 62.300 -0.022 0.000 1.148 370 V CB 0.693 32.491 31.823 -0.041 0.000 0.954 370 V HN 1.023 nan 8.190 nan 0.000 0.490 371 T N -1.285 113.258 114.554 -0.019 0.000 3.010 371 T HA 0.218 4.569 4.350 0.001 0.000 0.252 371 T C 0.577 175.265 174.700 -0.021 0.000 0.963 371 T CA 0.490 62.580 62.100 -0.016 0.000 0.952 371 T CB 0.531 69.393 68.868 -0.009 0.000 1.182 371 T HN 0.648 nan 8.240 nan 0.000 0.495 372 S N 0.198 115.884 115.700 -0.024 0.000 2.541 372 S HA 0.711 5.182 4.470 0.001 0.000 0.280 372 S C -1.757 172.821 174.600 -0.038 0.000 1.112 372 S CA -0.500 57.684 58.200 -0.025 0.000 0.925 372 S CB 1.995 65.185 63.200 -0.016 0.000 1.067 372 S HN 0.301 nan 8.310 nan 0.000 0.479 373 V N 5.259 125.148 119.914 -0.040 0.000 2.569 373 V HA 0.533 4.653 4.120 0.001 0.000 0.301 373 V C 0.007 176.084 176.094 -0.028 0.000 1.044 373 V CA -0.636 61.629 62.300 -0.058 0.000 0.874 373 V CB 1.634 33.403 31.823 -0.090 0.000 1.002 373 V HN 0.936 nan 8.190 nan 0.000 0.424 374 K N 2.452 122.852 120.400 -0.001 0.000 2.201 374 K HA 0.496 4.817 4.320 0.001 0.000 0.267 374 K C 0.857 177.500 176.600 0.071 0.000 0.975 374 K CA -0.684 55.618 56.287 0.025 0.000 1.293 374 K CB 0.549 33.065 32.500 0.025 0.000 3.096 374 K HN 0.407 nan 8.250 nan 0.000 1.038 375 K N 0.391 120.841 120.400 0.082 0.000 2.329 375 K HA 0.049 4.370 4.320 0.001 0.000 0.198 375 K C 0.189 176.858 176.600 0.115 0.000 1.085 375 K CA 1.298 57.649 56.287 0.106 0.000 0.961 375 K CB 0.532 33.054 32.500 0.036 0.000 0.971 375 K HN 0.310 nan 8.250 nan 0.000 0.502 376 D N 0.656 121.090 120.400 0.056 0.000 2.837 376 D HA 0.218 4.858 4.640 0.001 0.000 0.340 376 D C -1.490 174.821 176.300 0.018 0.000 1.451 376 D CA -0.036 53.951 54.000 -0.023 0.000 0.798 376 D CB 0.411 41.162 40.800 -0.082 0.000 1.169 376 D HN 0.323 nan 8.370 nan 0.000 0.449 377 E N 0.343 120.597 120.200 0.090 0.000 2.378 377 E HA 0.353 4.703 4.350 0.001 0.000 0.283 377 E C -1.605 175.026 176.600 0.052 0.000 0.979 377 E CA -0.666 55.765 56.400 0.051 0.000 0.795 377 E CB 1.417 31.127 29.700 0.015 0.000 1.221 377 E HN -0.089 nan 8.360 nan 0.000 0.428 378 I N 3.546 124.131 120.570 0.026 0.000 2.563 378 I HA 0.204 4.374 4.170 0.001 0.000 0.285 378 I C -0.627 175.485 176.117 -0.009 0.000 1.123 378 I CA -0.654 60.642 61.300 -0.007 0.000 1.059 378 I CB 1.607 39.591 38.000 -0.027 0.000 1.229 378 I HN 0.554 nan 8.210 nan 0.000 0.442 379 E N 5.259 125.452 120.200 -0.012 0.000 2.316 379 E HA 0.419 4.770 4.350 0.001 0.000 0.275 379 E C -0.468 176.128 176.600 -0.006 0.000 1.029 379 E CA -0.228 56.168 56.400 -0.006 0.000 0.871 379 E CB 2.361 32.057 29.700 -0.006 0.000 1.022 379 E HN 0.257 nan 8.360 nan 0.000 0.418 380 V N 1.946 121.863 119.914 0.005 0.000 2.815 380 V HA 0.241 4.361 4.120 0.001 0.000 0.314 380 V C 0.168 176.280 176.094 0.030 0.000 1.064 380 V CA -0.892 61.414 62.300 0.011 0.000 0.952 380 V CB 1.939 33.768 31.823 0.010 0.000 1.020 380 V HN 0.575 nan 8.190 nan 0.000 0.439 381 E N 2.522 122.743 120.200 0.035 0.000 2.884 381 E HA 0.353 4.704 4.350 0.001 0.000 0.221 381 E C -0.636 176.015 176.600 0.085 0.000 1.137 381 E CA -0.399 56.035 56.400 0.056 0.000 1.160 381 E CB 0.029 29.749 29.700 0.033 0.000 1.385 381 E HN 0.455 nan 8.360 nan 0.000 0.442 382 L N 2.007 123.293 121.223 0.104 0.000 2.506 382 L HA 0.061 4.402 4.340 0.001 0.000 0.281 382 L C 1.797 178.763 176.870 0.161 0.000 1.228 382 L CA 0.513 55.409 54.840 0.095 0.000 0.850 382 L CB 0.299 42.386 42.059 0.047 0.000 1.110 382 L HN 0.507 nan 8.230 nan 0.000 0.496 383 R N 2.393 122.956 120.500 0.105 0.000 2.052 383 R HA 0.001 4.341 4.340 0.001 0.000 0.226 383 R C 0.466 176.826 176.300 0.101 0.000 1.145 383 R CA 1.029 57.215 56.100 0.143 0.000 0.952 383 R CB 0.019 30.373 30.300 0.090 0.000 0.847 383 R HN 0.715 nan 8.270 nan 0.000 0.431 384 R N 1.437 121.882 120.500 -0.092 0.000 2.312 384 R HA 0.432 4.772 4.340 0.001 0.000 0.311 384 R C -2.477 173.493 176.300 -0.550 0.000 1.004 384 R CA -1.958 53.895 56.100 -0.412 0.000 0.902 384 R CB 0.833 30.935 30.300 -0.330 0.000 1.073 384 R HN -0.112 nan 8.270 nan 0.000 0.457 385 P HA -0.034 nan 4.420 nan 0.000 0.268 385 P C 0.054 177.030 177.300 -0.541 0.000 1.282 385 P CA -0.345 62.226 63.100 -0.882 0.000 0.880 385 P CB 0.629 31.451 31.700 -1.463 0.000 0.971 386 V N 1.490 121.216 119.914 -0.314 0.000 2.811 386 V HA 0.598 4.719 4.120 0.001 0.000 0.302 386 V C 0.300 176.295 176.094 -0.165 0.000 1.063 386 V CA -0.934 61.245 62.300 -0.202 0.000 1.088 386 V CB 0.390 32.134 31.823 -0.131 0.000 0.982 386 V HN 0.498 nan 8.190 nan 0.000 0.485 387 A N 4.645 127.405 122.820 -0.099 0.000 2.292 387 A HA 0.793 5.113 4.320 0.001 0.000 0.319 387 A C -0.165 177.387 177.584 -0.053 0.000 1.206 387 A CA -0.180 51.830 52.037 -0.046 0.000 0.835 387 A CB 1.193 20.205 19.000 0.020 0.000 1.164 387 A HN 2.147 nan 8.150 nan 0.000 0.505 388 V N 0.365 120.211 119.914 -0.114 0.000 2.555 388 V HA 0.650 4.770 4.120 0.001 0.000 0.302 388 V C 0.374 176.389 176.094 -0.132 0.000 1.038 388 V CA -0.767 61.338 62.300 -0.325 0.000 0.887 388 V CB 0.901 32.522 31.823 -0.337 0.000 0.991 388 V HN 1.141 nan 8.190 nan 0.000 0.434 389 W N 3.265 124.561 121.300 -0.007 0.000 2.674 389 W HA 0.328 4.988 4.660 0.000 0.000 0.298 389 W C 1.867 178.386 176.519 -0.001 0.000 1.115 389 W CA 1.541 58.884 57.345 -0.004 0.000 1.532 389 W CB -0.855 28.603 29.460 -0.002 0.000 1.142 389 W HN 0.730 nan 8.180 nan 0.000 0.528 390 S N -1.953 113.742 115.700 -0.008 0.000 3.552 390 S HA 0.221 4.692 4.470 0.001 0.000 0.251 390 S C 0.162 174.716 174.600 -0.077 0.000 1.119 390 S CA -0.120 58.104 58.200 0.040 0.000 0.830 390 S CB -0.596 62.719 63.200 0.192 0.000 0.946 390 S HN 0.117 nan 8.310 nan 0.000 0.470 391 N N 3.038 121.660 118.700 -0.130 0.000 2.477 391 N HA 0.507 5.247 4.740 0.001 0.000 0.284 391 N C -1.308 174.060 175.510 -0.237 0.000 1.182 391 N CA -0.469 52.518 53.050 -0.104 0.000 0.949 391 N CB 0.871 39.377 38.487 0.033 0.000 1.204 391 N HN 0.566 nan 8.380 nan 0.000 0.526 392 N N 0.559 119.176 118.700 -0.139 0.000 2.518 392 N HA 0.195 4.935 4.740 0.001 0.000 0.266 392 N C -0.451 174.984 175.510 -0.125 0.000 1.196 392 N CA 0.149 53.113 53.050 -0.144 0.000 0.947 392 N CB 0.485 38.925 38.487 -0.078 0.000 1.098 392 N HN 0.400 nan 8.380 nan 0.000 0.450 393 I N 0.606 121.086 120.570 -0.151 0.000 2.385 393 I HA 0.242 4.412 4.170 0.001 0.000 0.294 393 I C 0.759 176.880 176.117 0.007 0.000 0.988 393 I CA -0.850 60.397 61.300 -0.088 0.000 1.265 393 I CB 1.200 39.104 38.000 -0.159 0.000 1.388 393 I HN 0.289 nan 8.210 nan 0.000 0.480 394 R N 3.208 123.746 120.500 0.064 0.000 2.612 394 R HA 0.112 4.452 4.340 0.001 0.000 0.273 394 R C -0.045 176.325 176.300 0.117 0.000 1.376 394 R CA -0.088 56.090 56.100 0.129 0.000 1.171 394 R CB 0.181 30.555 30.300 0.123 0.000 1.151 394 R HN 0.532 nan 8.270 nan 0.000 0.560 395 T N 1.777 116.395 114.554 0.107 0.000 2.727 395 T HA 0.149 4.499 4.350 0.001 0.000 0.298 395 T C 0.317 175.104 174.700 0.144 0.000 0.942 395 T CA -0.589 61.567 62.100 0.093 0.000 0.997 395 T CB 0.483 69.381 68.868 0.050 0.000 0.917 395 T HN 0.126 nan 8.240 nan 0.000 0.487 396 V N 8.663 128.664 119.914 0.144 0.000 2.377 396 V HA 0.172 4.292 4.120 0.001 0.000 0.254 396 V C 0.988 177.164 176.094 0.136 0.000 1.060 396 V CA -0.265 62.142 62.300 0.178 0.000 1.068 396 V CB -1.081 30.817 31.823 0.126 0.000 1.113 396 V HN 0.790 nan 8.190 nan 0.000 0.484 397 I N 4.525 125.178 120.570 0.140 0.000 2.836 397 I HA 0.235 4.405 4.170 0.001 0.000 0.285 397 I C 1.111 177.287 176.117 0.098 0.000 1.174 397 I CA 0.607 61.965 61.300 0.097 0.000 1.405 397 I CB 0.718 38.766 38.000 0.079 0.000 1.385 397 I HN 0.807 nan 8.210 nan 0.000 0.594 398 S N 4.301 120.048 115.700 0.078 0.000 3.972 398 S HA 0.455 4.925 4.470 0.001 0.000 0.190 398 S C 0.533 175.172 174.600 0.066 0.000 1.204 398 S CA -0.458 57.789 58.200 0.079 0.000 1.285 398 S CB 1.656 64.908 63.200 0.086 0.000 1.849 398 S HN 0.755 nan 8.310 nan 0.000 0.762 399 R N -0.822 119.719 120.500 0.068 0.000 5.145 399 R HA 0.207 4.547 4.340 0.001 0.000 0.050 399 R C 0.790 177.125 176.300 0.057 0.000 0.753 399 R CA 0.197 56.333 56.100 0.058 0.000 1.635 399 R CB -0.718 29.620 30.300 0.063 0.000 1.308 399 R HN 0.422 nan 8.270 nan 0.000 0.414 400 Q N 1.055 120.897 119.800 0.070 0.000 1.509 400 Q HA 0.186 4.527 4.340 0.001 0.000 0.747 400 Q C 1.081 177.117 176.000 0.060 0.000 0.916 400 Q CA 0.824 56.664 55.803 0.062 0.000 0.831 400 Q CB -0.249 28.532 28.738 0.072 0.000 2.274 400 Q HN 0.385 nan 8.270 nan 0.000 0.257 401 I N -0.890 119.721 120.570 0.069 0.000 3.449 401 I HA 0.375 4.545 4.170 0.001 0.000 0.294 401 I C -0.822 175.342 176.117 0.079 0.000 1.163 401 I CA -1.003 60.336 61.300 0.064 0.000 1.010 401 I CB 1.781 39.813 38.000 0.054 0.000 1.307 401 I HN 0.352 nan 8.210 nan 0.000 0.518 402 A N 2.430 125.293 122.820 0.072 0.000 2.785 402 A HA 0.567 4.887 4.320 0.001 0.000 0.294 402 A C 0.006 177.646 177.584 0.093 0.000 1.597 402 A CA 0.472 52.554 52.037 0.076 0.000 1.283 402 A CB -1.428 17.610 19.000 0.065 0.000 1.088 402 A HN 0.890 nan 8.150 nan 0.000 0.568 403 G N 0.395 109.261 108.800 0.110 0.000 2.608 403 G HA2 0.396 4.356 3.960 0.001 0.000 0.291 403 G HA3 0.396 4.356 3.960 0.001 0.000 0.291 403 G C 0.542 175.520 174.900 0.131 0.000 1.425 403 G CA -0.573 44.608 45.100 0.134 0.000 0.787 403 G HN 0.253 nan 8.290 nan 0.000 0.484 404 R N -0.910 119.662 120.500 0.120 0.000 2.115 404 R HA -0.007 4.334 4.340 0.001 0.000 0.230 404 R C 0.091 176.399 176.300 0.013 0.000 1.111 404 R CA 0.361 56.482 56.100 0.035 0.000 0.976 404 R CB -0.233 30.047 30.300 -0.033 0.000 0.870 404 R HN 0.528 nan 8.270 nan 0.000 0.445 405 W N 2.795 124.122 121.300 0.045 0.000 2.489 405 W HA 0.030 4.690 4.660 0.000 0.000 0.327 405 W C 0.635 177.179 176.519 0.042 0.000 1.436 405 W CA 0.304 57.674 57.345 0.041 0.000 1.315 405 W CB 0.204 29.686 29.460 0.036 0.000 1.373 405 W HN 0.067 nan 8.180 nan 0.000 0.557 406 R N 3.418 124.053 120.500 0.225 0.000 2.168 406 R HA -0.204 4.136 4.340 0.001 0.000 0.364 406 R C -1.484 174.883 176.300 0.113 0.000 1.103 406 R CA 0.386 56.584 56.100 0.163 0.000 0.832 406 R CB -1.377 29.032 30.300 0.182 0.000 2.561 406 R HN 0.642 nan 8.270 nan 0.000 0.484 407 M N 5.797 125.445 119.600 0.081 0.000 2.464 407 M HA 0.753 5.233 4.480 0.001 0.000 0.308 407 M C -1.228 175.125 176.300 0.088 0.000 1.127 407 M CA -1.106 54.242 55.300 0.081 0.000 0.913 407 M CB 1.654 34.293 32.600 0.064 0.000 1.689 407 M HN 0.557 nan 8.290 nan 0.000 0.445 408 I N 5.005 125.639 120.570 0.107 0.000 2.675 408 I HA 0.542 4.712 4.170 0.001 0.000 0.284 408 I C -0.112 176.098 176.117 0.155 0.000 1.285 408 I CA 0.536 61.907 61.300 0.117 0.000 1.079 408 I CB 0.977 39.030 38.000 0.089 0.000 1.318 408 I HN 0.999 nan 8.210 nan 0.000 0.439 409 G N 6.613 115.541 108.800 0.212 0.000 2.749 409 G HA2 -0.227 3.733 3.960 0.001 0.000 0.242 409 G HA3 -0.227 3.733 3.960 0.001 0.000 0.242 409 G C -0.638 174.490 174.900 0.381 0.000 1.364 409 G CA 0.502 45.760 45.100 0.264 0.000 0.888 409 G HN 1.343 nan 8.290 nan 0.000 0.566 410 W N -2.782 118.548 121.300 0.050 0.000 4.275 410 W HA 0.632 5.293 4.660 0.000 0.000 0.352 410 W C 0.773 177.310 176.519 0.031 0.000 3.340 410 W CA 0.642 58.004 57.345 0.028 0.000 1.254 410 W CB -0.245 29.216 29.460 0.002 0.000 1.964 410 W HN 2.756 nan 8.180 nan 0.000 0.443 411 G N 1.193 109.923 108.800 -0.117 0.000 2.587 411 G HA2 0.108 4.069 3.960 0.001 0.000 0.686 411 G HA3 0.108 4.069 3.960 0.001 0.000 0.686 411 G C -1.055 173.851 174.900 0.011 0.000 1.236 411 G CA -0.588 44.304 45.100 -0.346 0.000 0.820 411 G HN 0.527 nan 8.290 nan 0.000 0.645 412 L N -0.816 120.384 121.223 -0.039 0.000 2.682 412 L HA 0.686 5.027 4.340 0.001 0.000 0.209 412 L C 1.168 178.021 176.870 -0.028 0.000 1.195 412 L CA -0.411 54.433 54.840 0.008 0.000 0.869 412 L CB 0.736 42.791 42.059 -0.006 0.000 1.599 412 L HN 0.688 nan 8.230 nan 0.000 0.518 413 V N 0.320 120.205 119.914 -0.048 0.000 2.380 413 V HA 0.161 4.281 4.120 0.001 0.000 0.268 413 V C 0.161 176.212 176.094 -0.072 0.000 1.008 413 V CA -0.781 61.480 62.300 -0.065 0.000 0.823 413 V CB 1.013 32.779 31.823 -0.095 0.000 1.053 413 V HN 0.713 nan 8.190 nan 0.000 0.446 414 E N 5.451 125.618 120.200 -0.055 0.000 2.606 414 E HA 0.167 4.518 4.350 0.001 0.000 0.248 414 E C -0.322 176.246 176.600 -0.052 0.000 1.005 414 E CA 0.268 56.638 56.400 -0.050 0.000 0.946 414 E CB 0.369 30.046 29.700 -0.038 0.000 0.928 414 E HN 0.780 nan 8.360 nan 0.000 0.494 415 I N 0.000 120.535 120.570 -0.058 0.000 2.984 415 I HA 0.000 4.170 4.170 0.001 0.000 0.288 415 I CA 0.000 61.265 61.300 -0.058 0.000 1.566 415 I CB 0.000 37.946 38.000 -0.091 0.000 1.214 415 I HN 0.000 nan 8.210 nan 0.000 0.494