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 2qmu_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 0.000 177.697 177.584 0.188 0.000 1.274 2 A CA 0.000 52.065 52.037 0.046 0.000 0.836 2 A CB 0.000 19.025 19.000 0.042 0.000 0.831 3 W N 3.113 124.440 121.300 0.045 0.000 2.448 3 W HA 0.657 5.317 4.660 0.000 0.000 0.339 3 W C -2.002 174.493 176.519 -0.040 0.000 1.124 3 W CA -1.958 55.422 57.345 0.058 0.000 1.262 3 W CB 0.897 30.480 29.460 0.205 0.000 1.251 3 W HN 0.558 nan 8.180 nan 0.000 0.597 4 P HA 0.167 nan 4.420 nan 0.000 0.282 4 P C -0.814 176.410 177.300 -0.126 0.000 1.262 4 P CA -0.139 62.825 63.100 -0.226 0.000 0.773 4 P CB 0.827 32.197 31.700 -0.549 0.000 0.879 5 K N 2.380 122.771 120.400 -0.016 0.000 2.111 5 K HA 0.309 4.630 4.320 0.000 0.000 0.249 5 K C -0.068 176.596 176.600 0.106 0.000 1.157 5 K CA -0.361 55.975 56.287 0.083 0.000 1.048 5 K CB 0.318 32.877 32.500 0.099 0.000 1.498 5 K HN 0.266 nan 8.250 nan 0.000 0.344 6 V N 2.482 122.463 119.914 0.112 0.000 2.850 6 V HA 0.132 4.252 4.120 0.000 0.000 0.315 6 V C 0.213 176.435 176.094 0.213 0.000 1.064 6 V CA -0.842 61.559 62.300 0.168 0.000 0.979 6 V CB 1.958 33.767 31.823 -0.023 0.000 1.039 6 V HN 0.675 nan 8.190 nan 0.000 0.452 7 Q N 3.823 123.683 119.800 0.100 0.000 2.317 7 Q HA 0.435 4.775 4.340 0.000 0.000 0.229 7 Q C -2.576 173.252 176.000 -0.286 0.000 0.984 7 Q CA -1.628 53.910 55.803 -0.442 0.000 0.911 7 Q CB 0.385 28.377 28.738 -1.243 0.000 1.217 7 Q HN 0.400 nan 8.270 nan 0.000 0.501 8 P HA -0.105 nan 4.420 nan 0.000 0.267 8 P C -0.439 176.783 177.300 -0.130 0.000 1.201 8 P CA 0.307 63.343 63.100 -0.107 0.000 0.775 8 P CB 0.551 32.265 31.700 0.023 0.000 0.854 9 E N 0.324 120.478 120.200 -0.076 0.000 2.244 9 E HA 0.124 4.475 4.350 0.000 0.000 0.196 9 E C 0.025 176.587 176.600 -0.064 0.000 0.939 9 E CA 0.359 56.720 56.400 -0.065 0.000 0.884 9 E CB 0.654 30.330 29.700 -0.041 0.000 0.850 9 E HN 0.160 nan 8.360 nan 0.000 0.481 10 V N 1.054 120.922 119.914 -0.076 0.000 2.971 10 V HA 0.358 4.479 4.120 0.000 0.000 0.309 10 V C -1.934 174.097 176.094 -0.105 0.000 1.130 10 V CA -0.897 61.353 62.300 -0.084 0.000 0.964 10 V CB 2.127 33.892 31.823 -0.095 0.000 1.029 10 V HN 0.047 nan 8.190 nan 0.000 0.427 11 N N 5.181 123.827 118.700 -0.090 0.000 2.444 11 N HA 0.570 5.311 4.740 0.000 0.000 0.262 11 N C -0.885 174.531 175.510 -0.156 0.000 0.974 11 N CA -0.115 52.878 53.050 -0.095 0.000 0.933 11 N CB 1.439 39.906 38.487 -0.033 0.000 1.137 11 N HN 0.608 nan 8.380 nan 0.000 0.498 12 I N 1.026 121.416 120.570 -0.300 0.000 2.328 12 I HA 0.399 4.569 4.170 0.000 0.000 0.287 12 I C 1.109 177.126 176.117 -0.167 0.000 1.012 12 I CA -0.852 60.267 61.300 -0.303 0.000 1.195 12 I CB 1.391 39.061 38.000 -0.551 0.000 1.350 12 I HN 0.343 nan 8.210 nan 0.000 0.464 13 G N 5.103 113.881 108.800 -0.037 0.000 2.504 13 G HA2 0.549 4.509 3.960 0.000 0.000 0.288 13 G HA3 0.549 4.509 3.960 0.000 0.000 0.288 13 G C -0.658 174.300 174.900 0.097 0.000 1.182 13 G CA -0.334 44.787 45.100 0.036 0.000 0.894 13 G HN 0.350 nan 8.290 nan 0.000 0.521 14 V N 1.311 121.288 119.914 0.107 0.000 2.349 14 V HA 0.340 4.461 4.120 0.000 0.000 0.284 14 V C 0.106 176.229 176.094 0.049 0.000 1.014 14 V CA -0.540 61.823 62.300 0.105 0.000 0.826 14 V CB 0.948 32.840 31.823 0.114 0.000 1.009 14 V HN 0.516 nan 8.190 nan 0.000 0.431 15 V N 3.649 123.593 119.914 0.051 0.000 3.406 15 V HA 1.051 5.172 4.120 0.000 0.000 0.305 15 V C 0.788 176.997 176.094 0.192 0.000 1.136 15 V CA 0.615 62.933 62.300 0.030 0.000 1.011 15 V CB 1.860 33.663 31.823 -0.034 0.000 1.221 15 V HN 1.171 nan 8.190 nan 0.000 0.454 16 G N -0.510 108.527 108.800 0.395 0.000 2.346 16 G HA2 0.084 4.044 3.960 0.000 0.000 0.294 16 G HA3 0.084 4.044 3.960 0.000 0.000 0.294 16 G C -0.983 174.101 174.900 0.307 0.000 1.294 16 G CA -0.006 45.314 45.100 0.367 0.000 0.962 16 G HN 0.943 nan 8.290 nan 0.000 0.508 17 H N -1.236 117.837 119.070 0.005 0.000 2.523 17 H HA 0.724 5.281 4.556 0.001 0.000 0.233 17 H C 0.591 175.782 175.328 -0.228 0.000 1.568 17 H CA 0.642 56.528 56.048 -0.270 0.000 1.555 17 H CB 0.813 30.176 29.762 -0.665 0.000 1.644 17 H HN 0.825 nan 8.280 nan 0.000 0.799 18 V N 0.689 120.241 119.914 -0.603 0.000 2.581 18 V HA 0.233 4.354 4.120 0.000 0.000 0.303 18 V C -0.560 175.488 176.094 -0.077 0.000 1.041 18 V CA -0.015 62.102 62.300 -0.304 0.000 0.907 18 V CB 1.352 32.912 31.823 -0.438 0.000 0.994 18 V HN 1.030 nan 8.190 nan 0.000 0.442 19 D N 2.407 122.832 120.400 0.041 0.000 2.946 19 D HA -0.221 4.420 4.640 0.000 0.000 0.202 19 D C 0.888 177.341 176.300 0.254 0.000 1.068 19 D CA 1.879 55.949 54.000 0.117 0.000 1.011 19 D CB -1.164 39.698 40.800 0.103 0.000 1.105 19 D HN 0.946 nan 8.370 nan 0.000 0.425 20 H N -0.202 118.933 119.070 0.108 0.000 2.553 20 H HA 0.243 4.799 4.556 0.000 0.000 0.269 20 H C 1.916 177.291 175.328 0.079 0.000 1.011 20 H CA 0.421 56.530 56.048 0.101 0.000 1.150 20 H CB 0.235 30.076 29.762 0.131 0.000 1.339 20 H HN 0.407 nan 8.280 nan 0.000 0.604 21 G N 1.823 110.736 108.800 0.188 0.000 2.175 21 G HA2 -0.341 3.620 3.960 0.000 0.000 0.244 21 G HA3 -0.341 3.620 3.960 0.000 0.000 0.244 21 G C 0.868 175.811 174.900 0.072 0.000 0.982 21 G CA 0.318 45.485 45.100 0.112 0.000 0.641 21 G HN 0.485 nan 8.290 nan 0.000 0.527 22 K N 0.347 120.807 120.400 0.100 0.000 3.277 22 K HA 0.506 4.826 4.320 0.000 0.000 0.291 22 K C 1.029 177.611 176.600 -0.030 0.000 0.994 22 K CA 1.046 57.358 56.287 0.042 0.000 1.147 22 K CB -0.105 32.445 32.500 0.084 0.000 1.185 22 K HN 0.210 nan 8.250 nan 0.000 0.422 23 T N -2.171 112.332 114.554 -0.084 0.000 3.304 23 T HA -0.002 4.348 4.350 0.000 0.000 0.269 23 T C 1.415 175.816 174.700 -0.498 0.000 0.895 23 T CA 0.012 61.957 62.100 -0.258 0.000 0.948 23 T CB 0.152 68.945 68.868 -0.126 0.000 1.242 23 T HN 0.249 nan 8.240 nan 0.000 0.522 24 T N 2.898 117.291 114.554 -0.268 0.000 2.904 24 T HA 0.054 4.405 4.350 0.000 0.000 0.267 24 T C 1.834 176.412 174.700 -0.203 0.000 1.059 24 T CA 0.863 62.852 62.100 -0.184 0.000 1.137 24 T CB -0.220 68.682 68.868 0.056 0.000 0.879 24 T HN 0.072 nan 8.240 nan 0.000 0.467 25 L N 1.305 122.424 121.223 -0.172 0.000 2.023 25 L HA 0.072 4.412 4.340 0.000 0.000 0.205 25 L C 2.366 179.057 176.870 -0.299 0.000 1.073 25 L CA 1.476 56.211 54.840 -0.175 0.000 0.745 25 L CB -0.867 41.124 42.059 -0.113 0.000 0.900 25 L HN 0.034 nan 8.230 nan 0.000 0.435 26 V N 0.564 120.261 119.914 -0.361 0.000 2.660 26 V HA -0.288 3.833 4.120 0.000 0.000 0.257 26 V C 2.541 178.338 176.094 -0.495 0.000 1.088 26 V CA 2.071 64.064 62.300 -0.512 0.000 1.106 26 V CB -0.849 30.738 31.823 -0.394 0.000 0.686 26 V HN 0.719 nan 8.190 nan 0.000 0.481 27 Q N -0.158 119.380 119.800 -0.437 0.000 2.391 27 Q HA 0.102 4.442 4.340 0.000 0.000 0.211 27 Q C 2.000 177.871 176.000 -0.214 0.000 0.908 27 Q CA 1.056 56.648 55.803 -0.352 0.000 0.920 27 Q CB 0.123 28.561 28.738 -0.500 0.000 1.056 27 Q HN 0.557 nan 8.270 nan 0.000 0.523 28 A N 0.559 123.260 122.820 -0.199 0.000 2.248 28 A HA 0.042 4.362 4.320 0.000 0.000 0.210 28 A C 1.596 179.105 177.584 -0.124 0.000 1.174 28 A CA 0.632 52.602 52.037 -0.111 0.000 0.750 28 A CB -0.163 18.784 19.000 -0.088 0.000 0.780 28 A HN 0.421 nan 8.150 nan 0.000 0.478 29 I N -2.102 118.344 120.570 -0.205 0.000 3.632 29 I HA -0.049 4.121 4.170 0.000 0.000 0.246 29 I C 2.512 178.529 176.117 -0.166 0.000 1.125 29 I CA 1.136 62.310 61.300 -0.210 0.000 1.519 29 I CB -0.302 37.461 38.000 -0.396 0.000 1.555 29 I HN 0.315 nan 8.210 nan 0.000 0.452 30 T N -1.010 113.403 114.554 -0.235 0.000 2.951 30 T HA 0.084 4.434 4.350 0.000 0.000 0.268 30 T C 1.579 176.232 174.700 -0.079 0.000 1.073 30 T CA 0.798 62.818 62.100 -0.134 0.000 1.134 30 T CB -0.154 68.617 68.868 -0.161 0.000 0.884 30 T HN 0.600 nan 8.240 nan 0.000 0.479 31 G N 1.283 110.026 108.800 -0.095 0.000 2.160 31 G HA2 -0.177 3.783 3.960 0.000 0.000 0.244 31 G HA3 -0.177 3.783 3.960 0.000 0.000 0.244 31 G C -0.083 174.810 174.900 -0.012 0.000 1.022 31 G CA 0.103 45.185 45.100 -0.030 0.000 0.741 31 G HN 0.655 nan 8.290 nan 0.000 0.508 32 I N -0.962 119.562 120.570 -0.078 0.000 2.498 32 I HA 0.416 4.587 4.170 0.000 0.000 0.290 32 I C -0.386 175.652 176.117 -0.131 0.000 1.032 32 I CA -1.056 60.218 61.300 -0.045 0.000 1.073 32 I CB 1.582 39.545 38.000 -0.061 0.000 1.251 32 I HN 0.097 nan 8.210 nan 0.000 0.426 33 W N 5.591 126.882 121.300 -0.016 0.000 2.357 33 W HA 0.245 4.905 4.660 0.000 0.000 0.317 33 W C 0.874 177.397 176.519 0.006 0.000 1.101 33 W CA -0.066 57.278 57.345 -0.002 0.000 1.380 33 W CB 1.325 30.789 29.460 0.007 0.000 1.266 33 W HN 0.326 nan 8.180 nan 0.000 0.419 34 T N 2.235 116.763 114.554 -0.044 0.000 2.794 34 T HA 0.081 4.431 4.350 0.000 0.000 0.296 34 T C 1.286 176.067 174.700 0.136 0.000 0.949 34 T CA -0.162 61.945 62.100 0.013 0.000 1.101 34 T CB 0.802 69.610 68.868 -0.099 0.000 0.905 34 T HN 0.451 nan 8.240 nan 0.000 0.516 35 S N 4.040 119.819 115.700 0.132 0.000 2.723 35 S HA -0.017 4.454 4.470 0.000 0.000 0.231 35 S C 1.665 176.324 174.600 0.098 0.000 0.967 35 S CA 0.203 58.488 58.200 0.142 0.000 0.958 35 S CB -0.393 62.867 63.200 0.100 0.000 0.778 35 S HN 0.878 nan 8.310 nan 0.000 0.537 36 K N 1.395 121.813 120.400 0.029 0.000 2.152 36 K HA -0.181 4.139 4.320 0.000 0.000 0.206 36 K C 0.627 177.206 176.600 -0.036 0.000 1.048 36 K CA 1.297 57.548 56.287 -0.060 0.000 0.933 36 K CB -0.210 32.168 32.500 -0.204 0.000 0.721 36 K HN 0.509 nan 8.250 nan 0.000 0.447 37 H N 0.197 119.348 119.070 0.136 0.000 2.605 37 H HA 0.165 4.721 4.556 0.000 0.000 0.308 37 H C -0.157 175.240 175.328 0.115 0.000 1.080 37 H CA 0.220 56.352 56.048 0.141 0.000 1.119 37 H CB 0.083 29.972 29.762 0.212 0.000 1.479 37 H HN 0.223 nan 8.280 nan 0.000 0.537 38 S N -0.704 115.111 115.700 0.191 0.000 2.651 38 S HA 0.451 4.922 4.470 0.000 0.000 0.279 38 S C -0.508 174.143 174.600 0.086 0.000 1.148 38 S CA -1.067 57.208 58.200 0.125 0.000 0.837 38 S CB 2.913 66.179 63.200 0.109 0.000 1.138 38 S HN -0.049 nan 8.310 nan 0.000 0.478 39 E N 1.081 121.317 120.200 0.061 0.000 2.130 39 E HA 0.410 4.760 4.350 0.000 0.000 0.284 39 E C -0.976 175.645 176.600 0.035 0.000 1.018 39 E CA -0.003 56.424 56.400 0.045 0.000 0.817 39 E CB 0.888 30.609 29.700 0.036 0.000 1.078 39 E HN 0.583 nan 8.360 nan 0.000 0.396 40 E N 3.413 123.632 120.200 0.031 0.000 2.145 40 E HA 0.296 4.646 4.350 0.000 0.000 0.262 40 E C -0.611 175.998 176.600 0.015 0.000 0.883 40 E CA -0.447 55.966 56.400 0.021 0.000 0.748 40 E CB 1.151 30.863 29.700 0.021 0.000 1.140 40 E HN 0.329 nan 8.360 nan 0.000 0.417 41 L N 4.286 125.515 121.223 0.010 0.000 2.272 41 L HA 0.453 4.794 4.340 0.000 0.000 0.284 41 L C 0.140 177.010 176.870 0.001 0.000 1.045 41 L CA -0.158 54.687 54.840 0.008 0.000 0.842 41 L CB 0.326 42.390 42.059 0.008 0.000 1.224 41 L HN 0.498 nan 8.230 nan 0.000 0.430 42 K N 2.021 122.420 120.400 -0.001 0.000 1.702 42 K HA 0.315 4.635 4.320 0.000 0.000 0.276 42 K C -0.856 175.737 176.600 -0.013 0.000 0.624 42 K CA -0.520 55.760 56.287 -0.013 0.000 0.378 42 K CB 0.591 33.073 32.500 -0.030 0.000 2.180 42 K HN 0.512 nan 8.250 nan 0.000 0.753 43 R N -0.022 120.447 120.500 -0.052 0.000 2.719 43 R HA 0.769 5.109 4.340 0.000 0.000 0.233 43 R C 0.719 176.985 176.300 -0.057 0.000 1.257 43 R CA -0.282 55.781 56.100 -0.061 0.000 1.109 43 R CB 0.083 30.244 30.300 -0.233 0.000 1.447 43 R HN 0.648 nan 8.270 nan 0.000 0.537 44 G N 0.393 109.207 108.800 0.023 0.000 2.596 44 G HA2 -0.305 3.655 3.960 0.000 0.000 0.295 44 G HA3 -0.305 3.655 3.960 0.000 0.000 0.295 44 G C -0.099 174.867 174.900 0.110 0.000 1.240 44 G CA 0.369 45.552 45.100 0.139 0.000 0.985 44 G HN 0.597 nan 8.290 nan 0.000 0.555 45 M N 1.505 121.140 119.600 0.057 0.000 2.504 45 M HA 0.140 4.620 4.480 0.000 0.000 0.378 45 M C 1.227 177.545 176.300 0.030 0.000 1.706 45 M CA 1.357 56.679 55.300 0.038 0.000 1.036 45 M CB -0.701 31.915 32.600 0.028 0.000 2.129 45 M HN 0.495 nan 8.290 nan 0.000 0.474 46 T N 4.138 118.706 114.554 0.024 0.000 3.145 46 T HA 0.454 4.804 4.350 0.000 0.000 0.281 46 T C 0.338 175.044 174.700 0.010 0.000 1.003 46 T CA -0.152 61.959 62.100 0.019 0.000 0.901 46 T CB -0.025 68.854 68.868 0.018 0.000 1.112 46 T HN 0.632 nan 8.240 nan 0.000 0.535 47 I N -1.379 119.195 120.570 0.006 0.000 2.730 47 I HA 0.514 4.684 4.170 0.000 0.000 0.298 47 I C -0.355 175.764 176.117 0.004 0.000 1.089 47 I CA -1.388 59.911 61.300 -0.001 0.000 1.041 47 I CB 2.038 40.028 38.000 -0.016 0.000 1.235 47 I HN -0.380 nan 8.210 nan 0.000 0.423 48 K N 5.239 125.642 120.400 0.006 0.000 2.121 48 K HA 0.442 4.762 4.320 0.000 0.000 0.235 48 K C -1.121 175.471 176.600 -0.013 0.000 1.200 48 K CA 0.073 56.363 56.287 0.004 0.000 1.115 48 K CB -0.115 32.396 32.500 0.019 0.000 1.474 48 K HN 0.494 nan 8.250 nan 0.000 0.295 49 L N 0.626 121.841 121.223 -0.013 0.000 2.410 49 L HA 0.445 4.785 4.340 0.000 0.000 0.270 49 L C 0.245 177.117 176.870 0.004 0.000 0.983 49 L CA -0.889 53.942 54.840 -0.014 0.000 0.822 49 L CB 2.167 44.214 42.059 -0.020 0.000 1.285 49 L HN 0.434 nan 8.230 nan 0.000 0.409 50 G N 1.281 110.086 108.800 0.008 0.000 2.417 50 G HA2 0.503 4.463 3.960 0.000 0.000 0.334 50 G HA3 0.503 4.463 3.960 0.000 0.000 0.334 50 G C -2.116 172.874 174.900 0.150 0.000 1.150 50 G CA -0.284 44.840 45.100 0.040 0.000 0.923 50 G HN 0.515 nan 8.290 nan 0.000 0.485 51 Y N 0.210 120.504 120.300 -0.010 0.000 2.512 51 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 51 Y C -0.506 175.411 175.900 0.029 0.000 0.990 51 Y CA -1.052 57.057 58.100 0.016 0.000 1.033 51 Y CB 2.394 40.860 38.460 0.010 0.000 1.259 51 Y HN 0.832 nan 8.280 nan 0.000 0.461 52 A N 4.942 127.455 122.820 -0.510 0.000 2.509 52 A HA 0.389 4.709 4.320 0.000 0.000 0.282 52 A C -1.684 175.680 177.584 -0.367 0.000 1.054 52 A CA -0.714 51.094 52.037 -0.383 0.000 0.820 52 A CB 0.952 19.847 19.000 -0.174 0.000 1.333 52 A HN 0.801 nan 8.150 nan 0.000 0.409 53 E N 0.709 120.673 120.200 -0.392 0.000 2.242 53 E HA 0.681 5.031 4.350 0.000 0.000 0.275 53 E C -0.257 176.316 176.600 -0.045 0.000 1.002 53 E CA -0.429 55.855 56.400 -0.193 0.000 0.841 53 E CB 2.026 31.634 29.700 -0.153 0.000 1.109 53 E HN 0.544 nan 8.360 nan 0.000 0.394 54 T N 1.416 115.975 114.554 0.008 0.000 2.853 54 T HA 0.274 4.624 4.350 0.000 0.000 0.311 54 T C -1.316 173.372 174.700 -0.019 0.000 1.307 54 T CA -0.868 61.247 62.100 0.025 0.000 1.019 54 T CB 1.091 69.991 68.868 0.053 0.000 1.264 54 T HN 0.310 nan 8.240 nan 0.000 0.497 55 N N 1.880 120.558 118.700 -0.036 0.000 2.472 55 N HA 0.549 5.289 4.740 0.000 0.000 0.289 55 N C -0.938 174.392 175.510 -0.300 0.000 1.156 55 N CA -0.555 52.353 53.050 -0.237 0.000 0.940 55 N CB 1.179 39.530 38.487 -0.227 0.000 1.200 55 N HN 0.487 nan 8.380 nan 0.000 0.511 56 I N 1.229 121.446 120.570 -0.589 0.000 2.476 56 I HA 0.328 4.498 4.170 0.000 0.000 0.281 56 I C 0.742 176.586 176.117 -0.454 0.000 1.040 56 I CA -0.391 60.691 61.300 -0.364 0.000 1.094 56 I CB 0.733 38.573 38.000 -0.266 0.000 1.219 56 I HN 0.443 nan 8.210 nan 0.000 0.450 57 G N 4.463 113.216 108.800 -0.078 0.000 2.753 57 G HA2 0.720 4.680 3.960 0.000 0.000 0.285 57 G HA3 0.720 4.680 3.960 0.000 0.000 0.285 57 G C -1.149 173.907 174.900 0.260 0.000 1.344 57 G CA -0.635 44.586 45.100 0.202 0.000 1.050 57 G HN 0.345 nan 8.290 nan 0.000 0.532 58 V N -1.683 118.378 119.914 0.244 0.000 3.023 58 V HA 0.413 4.534 4.120 0.000 0.000 0.294 58 V C -1.249 174.874 176.094 0.049 0.000 1.324 58 V CA -0.893 61.453 62.300 0.077 0.000 0.979 58 V CB 1.553 33.355 31.823 -0.035 0.000 1.093 58 V HN 1.022 nan 8.190 nan 0.000 0.434 59 C N 4.309 123.592 119.300 -0.027 0.000 2.225 59 C HA 0.486 4.946 4.460 0.000 0.000 0.323 59 C C 1.150 176.104 174.990 -0.059 0.000 1.164 59 C CA -0.611 58.395 59.018 -0.020 0.000 1.565 59 C CB -0.317 27.411 27.740 -0.020 0.000 2.124 59 C HN 0.979 nan 8.230 nan 0.000 0.461 60 E N 0.652 120.830 120.200 -0.037 0.000 2.526 60 E HA -0.065 4.285 4.350 0.000 0.000 0.198 60 E C 1.396 177.974 176.600 -0.036 0.000 1.091 60 E CA 0.315 56.688 56.400 -0.045 0.000 0.880 60 E CB 0.139 29.827 29.700 -0.021 0.000 0.873 60 E HN 0.709 nan 8.360 nan 0.000 0.527 61 S N -0.388 115.293 115.700 -0.032 0.000 2.503 61 S HA 0.068 4.538 4.470 0.000 0.000 0.215 61 S C 0.628 175.210 174.600 -0.031 0.000 1.003 61 S CA -0.199 57.986 58.200 -0.025 0.000 0.910 61 S CB 0.394 63.583 63.200 -0.018 0.000 0.790 61 S HN 0.249 nan 8.310 nan 0.000 0.514 62 C N 2.273 121.547 119.300 -0.044 0.000 2.564 62 C HA 0.562 5.023 4.460 0.000 0.000 0.381 62 C C 0.145 175.100 174.990 -0.057 0.000 1.297 62 C CA -1.283 57.709 59.018 -0.043 0.000 1.846 62 C CB 1.269 28.985 27.740 -0.040 0.000 2.198 62 C HN 0.455 nan 8.230 nan 0.000 0.507 63 K N 0.958 121.331 120.400 -0.045 0.000 2.123 63 K HA 0.497 4.817 4.320 0.000 0.000 0.248 63 K C -0.811 175.760 176.600 -0.048 0.000 0.969 63 K CA -0.576 55.685 56.287 -0.043 0.000 0.882 63 K CB 0.683 33.171 32.500 -0.021 0.000 1.080 63 K HN 0.391 nan 8.250 nan 0.000 0.441 64 K N 1.171 121.546 120.400 -0.041 0.000 2.258 64 K HA 0.099 4.419 4.320 0.000 0.000 0.264 64 K C -2.003 174.621 176.600 0.041 0.000 1.007 64 K CA -1.564 54.720 56.287 -0.004 0.000 0.941 64 K CB 0.582 33.101 32.500 0.031 0.000 0.966 64 K HN 0.431 nan 8.250 nan 0.000 0.480 65 P HA 0.077 nan 4.420 nan 0.000 0.257 65 P C -0.048 177.349 177.300 0.161 0.000 1.241 65 P CA 0.269 63.477 63.100 0.181 0.000 0.816 65 P CB 0.305 32.111 31.700 0.177 0.000 1.150 66 E N 0.255 120.502 120.200 0.078 0.000 2.492 66 E HA -0.126 4.225 4.350 0.000 0.000 0.204 66 E C 1.616 178.237 176.600 0.034 0.000 1.073 66 E CA 0.721 57.155 56.400 0.056 0.000 0.887 66 E CB -0.455 29.262 29.700 0.028 0.000 0.813 66 E HN 0.273 nan 8.360 nan 0.000 0.562 67 A N 0.864 123.679 122.820 -0.009 0.000 1.855 67 A HA -0.036 4.284 4.320 0.000 0.000 0.213 67 A C 0.505 178.043 177.584 -0.077 0.000 1.195 67 A CA 0.386 52.350 52.037 -0.121 0.000 0.610 67 A CB -0.411 18.397 19.000 -0.320 0.000 0.837 67 A HN 0.200 nan 8.150 nan 0.000 0.444 68 Y N -0.194 120.127 120.300 0.035 0.000 2.610 68 Y HA 0.322 4.872 4.550 0.000 0.000 0.332 68 Y C 0.767 176.702 175.900 0.058 0.000 1.201 68 Y CA 0.410 58.537 58.100 0.045 0.000 1.465 68 Y CB 0.369 38.847 38.460 0.029 0.000 1.283 68 Y HN 0.303 nan 8.280 nan 0.000 0.563 69 V N -0.179 119.893 119.914 0.263 0.000 3.181 69 V HA 0.599 4.719 4.120 0.000 0.000 0.314 69 V C 0.035 176.267 176.094 0.230 0.000 1.173 69 V CA -0.447 61.977 62.300 0.207 0.000 1.052 69 V CB 2.132 34.063 31.823 0.179 0.000 1.123 69 V HN 0.804 nan 8.190 nan 0.000 0.454 70 T N 0.692 115.374 114.554 0.213 0.000 2.986 70 T HA 0.287 4.637 4.350 0.000 0.000 0.264 70 T C 0.147 175.039 174.700 0.319 0.000 0.964 70 T CA 0.566 62.790 62.100 0.207 0.000 0.895 70 T CB -0.219 68.715 68.868 0.110 0.000 1.163 70 T HN 0.967 nan 8.240 nan 0.000 0.517 71 E N 0.700 121.064 120.200 0.273 0.000 2.378 71 E HA 0.433 4.783 4.350 0.000 0.000 0.265 71 E C -2.531 173.944 176.600 -0.208 0.000 0.932 71 E CA -2.127 54.376 56.400 0.172 0.000 0.795 71 E CB 1.784 31.520 29.700 0.060 0.000 1.296 71 E HN -0.239 nan 8.360 nan 0.000 0.438 72 P HA -0.129 nan 4.420 nan 0.000 0.216 72 P C 0.034 177.005 177.300 -0.548 0.000 1.150 72 P CA 1.154 63.664 63.100 -0.984 0.000 0.843 72 P CB 0.063 31.424 31.700 -0.565 0.000 0.787 73 S N -1.585 113.952 115.700 -0.272 0.000 2.589 73 S HA -0.039 4.431 4.470 0.000 0.000 0.256 73 S C 1.028 175.558 174.600 -0.116 0.000 1.383 73 S CA 0.196 58.303 58.200 -0.156 0.000 0.983 73 S CB -0.199 62.951 63.200 -0.083 0.000 0.908 73 S HN 0.217 nan 8.310 nan 0.000 0.572 74 C N 0.724 119.983 119.300 -0.069 0.000 3.774 74 C HA 0.226 4.686 4.460 0.000 0.000 0.290 74 C C 1.781 176.758 174.990 -0.022 0.000 2.291 74 C CA -0.775 58.220 59.018 -0.038 0.000 1.609 74 C CB -1.293 26.420 27.740 -0.045 0.000 3.321 74 C HN 1.040 nan 8.230 nan 0.000 0.449 75 K N 0.918 121.305 120.400 -0.021 0.000 2.097 75 K HA -0.074 4.246 4.320 0.000 0.000 0.206 75 K C 1.478 178.077 176.600 -0.002 0.000 1.049 75 K CA 2.068 58.348 56.287 -0.012 0.000 0.933 75 K CB -0.617 31.876 32.500 -0.012 0.000 0.717 75 K HN 0.483 nan 8.250 nan 0.000 0.442 76 S N 0.785 116.487 115.700 0.005 0.000 2.559 76 S HA -0.124 4.346 4.470 0.000 0.000 0.250 76 S C 1.744 176.354 174.600 0.017 0.000 0.977 76 S CA 0.824 59.034 58.200 0.016 0.000 0.958 76 S CB -1.205 62.013 63.200 0.030 0.000 0.751 76 S HN 0.623 nan 8.310 nan 0.000 0.534 77 C N -2.249 117.055 119.300 0.007 0.000 3.772 77 C HA 0.777 5.237 4.460 0.000 0.000 0.293 77 C C 1.354 176.342 174.990 -0.003 0.000 1.659 77 C CA -0.519 58.501 59.018 0.003 0.000 1.810 77 C CB -0.509 27.230 27.740 -0.001 0.000 3.059 77 C HN 0.859 nan 8.230 nan 0.000 0.617 78 G N 1.457 110.254 108.800 -0.004 0.000 2.256 78 G HA2 0.053 4.013 3.960 0.000 0.000 0.272 78 G HA3 0.053 4.013 3.960 0.000 0.000 0.272 78 G C -0.158 174.736 174.900 -0.010 0.000 1.076 78 G CA 0.883 45.980 45.100 -0.006 0.000 0.882 78 G HN 1.476 nan 8.290 nan 0.000 0.497 79 S N -1.914 113.779 115.700 -0.012 0.000 2.819 79 S HA 0.767 5.237 4.470 0.000 0.000 0.299 79 S C -0.120 174.468 174.600 -0.020 0.000 1.192 79 S CA 0.501 58.691 58.200 -0.015 0.000 0.847 79 S CB 1.868 65.058 63.200 -0.016 0.000 1.224 79 S HN 0.144 nan 8.310 nan 0.000 0.537 80 D N -0.139 120.247 120.400 -0.022 0.000 2.204 80 D HA 0.150 4.790 4.640 0.000 0.000 0.337 80 D C -0.797 175.484 176.300 -0.031 0.000 1.054 80 D CA -0.023 53.960 54.000 -0.029 0.000 0.869 80 D CB 0.283 41.067 40.800 -0.026 0.000 1.548 80 D HN 0.543 nan 8.370 nan 0.000 0.530 81 D N 2.504 122.891 120.400 -0.023 0.000 2.479 81 D HA -0.069 4.572 4.640 0.000 0.000 0.257 81 D C -0.113 176.174 176.300 -0.022 0.000 1.230 81 D CA 0.551 54.541 54.000 -0.018 0.000 0.912 81 D CB 0.248 41.042 40.800 -0.011 0.000 1.130 81 D HN 0.127 nan 8.370 nan 0.000 0.515 82 E N 4.901 125.082 120.200 -0.031 0.000 2.653 82 E HA -0.006 4.344 4.350 0.000 0.000 0.264 82 E C -1.811 174.790 176.600 0.001 0.000 0.949 82 E CA -0.637 55.734 56.400 -0.048 0.000 0.953 82 E CB 0.017 29.681 29.700 -0.059 0.000 0.925 82 E HN 0.455 nan 8.360 nan 0.000 0.475 83 P HA 0.071 nan 4.420 nan 0.000 0.284 83 P C -1.137 176.349 177.300 0.310 0.000 1.253 83 P CA -0.526 62.650 63.100 0.127 0.000 0.800 83 P CB 0.755 32.537 31.700 0.137 0.000 0.961 84 K N 3.230 123.807 120.400 0.294 0.000 2.276 84 K HA 0.272 4.592 4.320 0.000 0.000 0.283 84 K C -0.307 176.554 176.600 0.435 0.000 1.044 84 K CA -0.636 55.879 56.287 0.380 0.000 0.944 84 K CB 0.330 32.959 32.500 0.214 0.000 1.012 84 K HN 0.277 nan 8.250 nan 0.000 0.472 85 F N 5.147 125.277 119.950 0.300 0.000 2.590 85 F HA -0.032 4.495 4.527 0.000 0.000 0.389 85 F C 0.348 176.027 175.800 -0.202 0.000 1.049 85 F CA -0.102 57.670 58.000 -0.380 0.000 1.199 85 F CB 0.417 38.943 39.000 -0.790 0.000 1.058 85 F HN 0.547 nan 8.300 nan 0.000 0.556 86 L N 5.376 126.284 121.223 -0.525 0.000 2.187 86 L HA 0.207 4.547 4.340 0.000 0.000 0.197 86 L C 0.754 177.454 176.870 -0.284 0.000 1.090 86 L CA 0.461 55.158 54.840 -0.238 0.000 0.781 86 L CB -0.331 41.629 42.059 -0.165 0.000 0.956 86 L HN 0.630 nan 8.230 nan 0.000 0.463 87 R N -0.394 119.704 120.500 -0.670 0.000 3.132 87 R HA 0.659 4.999 4.340 0.000 0.000 0.257 87 R C -1.098 174.843 176.300 -0.598 0.000 1.203 87 R CA -0.947 54.940 56.100 -0.354 0.000 1.008 87 R CB 0.865 31.065 30.300 -0.166 0.000 1.378 87 R HN -0.135 nan 8.270 nan 0.000 0.448 88 R N 1.047 121.436 120.500 -0.186 0.000 2.518 88 R HA 0.485 4.825 4.340 0.000 0.000 0.287 88 R C -1.331 174.913 176.300 -0.094 0.000 1.135 88 R CA -0.554 55.475 56.100 -0.118 0.000 0.967 88 R CB 0.993 31.344 30.300 0.085 0.000 1.212 88 R HN 0.758 nan 8.270 nan 0.000 0.422 89 I N 0.407 120.910 120.570 -0.113 0.000 3.023 89 I HA 0.828 4.998 4.170 0.000 0.000 0.312 89 I C -0.782 175.262 176.117 -0.122 0.000 1.056 89 I CA -1.031 60.181 61.300 -0.147 0.000 1.033 89 I CB 2.586 40.446 38.000 -0.233 0.000 1.233 89 I HN 0.714 nan 8.210 nan 0.000 0.462 90 S N 1.867 117.453 115.700 -0.191 0.000 2.548 90 S HA 0.689 5.159 4.470 0.000 0.000 0.276 90 S C -1.203 173.280 174.600 -0.195 0.000 1.129 90 S CA -0.630 57.501 58.200 -0.115 0.000 0.931 90 S CB 1.255 64.494 63.200 0.066 0.000 1.068 90 S HN 0.468 nan 8.310 nan 0.000 0.480 91 F N 1.899 121.805 119.950 -0.074 0.000 2.422 91 F HA 0.571 5.098 4.527 0.000 0.000 0.333 91 F C 0.437 176.295 175.800 0.097 0.000 1.095 91 F CA -1.308 56.687 58.000 -0.008 0.000 1.038 91 F CB 1.109 40.070 39.000 -0.066 0.000 1.156 91 F HN 0.450 nan 8.300 nan 0.000 0.483 92 I N 2.503 123.216 120.570 0.238 0.000 2.312 92 I HA 0.117 4.288 4.170 0.000 0.000 0.290 92 I C -0.516 175.671 176.117 0.117 0.000 1.008 92 I CA -0.443 60.968 61.300 0.185 0.000 1.226 92 I CB 1.263 39.311 38.000 0.079 0.000 1.371 92 I HN 0.473 nan 8.210 nan 0.000 0.468 93 D N 6.183 126.633 120.400 0.083 0.000 2.336 93 D HA 0.408 5.048 4.640 0.000 0.000 0.249 93 D C -0.116 176.171 176.300 -0.021 0.000 1.213 93 D CA 0.042 54.046 54.000 0.006 0.000 0.870 93 D CB 1.215 41.986 40.800 -0.048 0.000 1.076 93 D HN 0.602 nan 8.370 nan 0.000 0.483 94 A N 4.656 127.462 122.820 -0.023 0.000 2.303 94 A HA 0.615 4.936 4.320 0.000 0.000 0.317 94 A C -2.451 175.134 177.584 0.001 0.000 1.149 94 A CA -1.519 50.500 52.037 -0.031 0.000 0.822 94 A CB 0.892 19.843 19.000 -0.083 0.000 1.131 94 A HN 0.418 nan 8.150 nan 0.000 0.493 95 P HA 0.231 nan 4.420 nan 0.000 0.281 95 P C 0.762 178.172 177.300 0.183 0.000 1.286 95 P CA 0.179 63.324 63.100 0.074 0.000 0.772 95 P CB 1.164 32.905 31.700 0.068 0.000 0.862 96 G N 1.736 110.620 108.800 0.140 0.000 2.985 96 G HA2 -0.080 3.880 3.960 0.000 0.000 0.209 96 G HA3 -0.080 3.880 3.960 0.000 0.000 0.209 96 G C 0.260 175.085 174.900 -0.125 0.000 1.165 96 G CA 0.183 45.319 45.100 0.059 0.000 0.776 96 G HN 0.545 nan 8.290 nan 0.000 0.541 97 H N 0.545 119.554 119.070 -0.101 0.000 2.848 97 H HA 0.116 4.672 4.556 0.000 0.000 0.317 97 H C 1.665 176.930 175.328 -0.105 0.000 1.046 97 H CA -0.107 55.867 56.048 -0.124 0.000 1.470 97 H CB 0.818 30.557 29.762 -0.038 0.000 1.483 97 H HN 0.293 nan 8.280 nan 0.000 0.548 98 E N 4.020 124.380 120.200 0.267 0.000 2.136 98 E HA -0.260 4.090 4.350 0.000 0.000 0.202 98 E C 1.715 178.327 176.600 0.020 0.000 1.019 98 E CA 1.931 58.395 56.400 0.106 0.000 0.819 98 E CB 0.029 29.817 29.700 0.147 0.000 0.739 98 E HN 0.533 nan 8.360 nan 0.000 0.458 99 V N 1.228 121.048 119.914 -0.156 0.000 2.216 99 V HA -0.256 3.864 4.120 0.000 0.000 0.242 99 V C 2.397 178.451 176.094 -0.067 0.000 1.042 99 V CA 2.115 64.310 62.300 -0.175 0.000 0.991 99 V CB -0.580 31.014 31.823 -0.381 0.000 0.633 99 V HN 0.427 nan 8.190 nan 0.000 0.449 100 L N -0.007 121.161 121.223 -0.091 0.000 2.683 100 L HA -0.247 4.093 4.340 0.000 0.000 0.236 100 L C 2.526 179.422 176.870 0.044 0.000 1.179 100 L CA 1.583 56.421 54.840 -0.003 0.000 0.822 100 L CB -0.822 41.254 42.059 0.030 0.000 0.952 100 L HN 0.559 nan 8.230 nan 0.000 0.455 101 M N 0.552 120.189 119.600 0.062 0.000 2.153 101 M HA -0.286 4.194 4.480 0.000 0.000 0.253 101 M C 2.156 178.496 176.300 0.068 0.000 1.081 101 M CA 2.276 57.636 55.300 0.099 0.000 1.076 101 M CB -0.441 32.215 32.600 0.095 0.000 1.350 101 M HN 0.241 nan 8.290 nan 0.000 0.401 102 A N -1.603 121.231 122.820 0.023 0.000 2.121 102 A HA -0.063 4.257 4.320 0.000 0.000 0.218 102 A C 2.018 179.585 177.584 -0.029 0.000 1.154 102 A CA 1.719 53.739 52.037 -0.028 0.000 0.679 102 A CB -1.255 17.687 19.000 -0.096 0.000 0.795 102 A HN 0.720 nan 8.150 nan 0.000 0.458 103 T N -4.098 110.452 114.554 -0.007 0.000 3.086 103 T HA 0.173 4.523 4.350 0.000 0.000 0.250 103 T C 1.500 176.193 174.700 -0.012 0.000 1.074 103 T CA 0.628 62.718 62.100 -0.017 0.000 0.988 103 T CB 0.022 68.884 68.868 -0.011 0.000 0.988 103 T HN 0.288 nan 8.240 nan 0.000 0.530 104 M N 0.786 120.393 119.600 0.011 0.000 2.412 104 M HA 0.255 4.736 4.480 0.000 0.000 0.263 104 M C 1.433 177.707 176.300 -0.044 0.000 1.122 104 M CA 1.014 56.307 55.300 -0.012 0.000 1.179 104 M CB -0.554 32.084 32.600 0.064 0.000 1.335 104 M HN 0.299 nan 8.290 nan 0.000 0.465 105 L N 0.651 121.863 121.223 -0.018 0.000 2.447 105 L HA -0.108 4.232 4.340 0.000 0.000 0.225 105 L C 2.231 179.073 176.870 -0.046 0.000 1.148 105 L CA 1.072 55.893 54.840 -0.032 0.000 0.808 105 L CB -0.881 41.168 42.059 -0.017 0.000 0.928 105 L HN 0.270 nan 8.230 nan 0.000 0.448 106 S N -1.242 114.428 115.700 -0.050 0.000 2.475 106 S HA 0.097 4.567 4.470 0.000 0.000 0.224 106 S C 2.006 176.564 174.600 -0.070 0.000 1.042 106 S CA 0.642 58.806 58.200 -0.060 0.000 0.935 106 S CB 0.053 63.215 63.200 -0.063 0.000 0.801 106 S HN 0.522 nan 8.310 nan 0.000 0.509 107 G N 1.229 109.989 108.800 -0.067 0.000 2.464 107 G HA2 0.090 4.050 3.960 0.000 0.000 0.217 107 G HA3 0.090 4.050 3.960 0.000 0.000 0.217 107 G C 1.448 176.302 174.900 -0.076 0.000 1.138 107 G CA 0.750 45.807 45.100 -0.071 0.000 0.793 107 G HN 0.508 nan 8.290 nan 0.000 0.539 108 A N 1.208 123.980 122.820 -0.081 0.000 1.930 108 A HA 0.371 4.691 4.320 0.000 0.000 0.217 108 A C 2.517 180.055 177.584 -0.077 0.000 1.175 108 A CA 1.727 53.712 52.037 -0.086 0.000 0.627 108 A CB -0.536 18.406 19.000 -0.096 0.000 0.815 108 A HN 0.736 nan 8.150 nan 0.000 0.443 109 A N -1.036 121.744 122.820 -0.067 0.000 2.250 109 A HA 0.410 4.730 4.320 0.000 0.000 0.208 109 A C 1.316 178.854 177.584 -0.078 0.000 1.254 109 A CA 0.621 52.625 52.037 -0.056 0.000 0.858 109 A CB -0.527 18.451 19.000 -0.037 0.000 0.820 109 A HN 0.471 nan 8.150 nan 0.000 0.484 110 L N -2.535 118.639 121.223 -0.082 0.000 3.039 110 L HA 0.335 4.676 4.340 0.000 0.000 0.269 110 L C 0.485 177.312 176.870 -0.072 0.000 1.169 110 L CA -0.279 54.506 54.840 -0.090 0.000 0.986 110 L CB 0.028 42.023 42.059 -0.106 0.000 1.377 110 L HN 0.283 nan 8.230 nan 0.000 0.575 111 M N 0.613 120.172 119.600 -0.068 0.000 2.217 111 M HA 0.023 4.503 4.480 0.000 0.000 0.354 111 M C 0.736 177.000 176.300 -0.060 0.000 1.225 111 M CA 0.570 55.832 55.300 -0.062 0.000 1.137 111 M CB 0.773 33.333 32.600 -0.067 0.000 1.576 111 M HN -0.074 nan 8.290 nan 0.000 0.461 112 D N 1.119 121.484 120.400 -0.059 0.000 2.431 112 D HA 0.322 4.962 4.640 0.000 0.000 0.227 112 D C 0.109 176.384 176.300 -0.041 0.000 1.030 112 D CA 0.595 54.565 54.000 -0.051 0.000 0.897 112 D CB 0.887 41.653 40.800 -0.057 0.000 1.058 112 D HN 0.709 nan 8.370 nan 0.000 0.500 113 G N -0.458 108.316 108.800 -0.043 0.000 2.579 113 G HA2 0.599 4.559 3.960 0.000 0.000 0.292 113 G HA3 0.599 4.559 3.960 0.000 0.000 0.292 113 G C -1.543 173.345 174.900 -0.020 0.000 1.484 113 G CA 0.134 45.225 45.100 -0.015 0.000 0.813 113 G HN 0.222 nan 8.290 nan 0.000 0.515 114 A N -0.371 122.461 122.820 0.021 0.000 2.535 114 A HA 0.934 5.254 4.320 0.000 0.000 0.296 114 A C -1.563 176.066 177.584 0.076 0.000 1.248 114 A CA -0.712 51.346 52.037 0.036 0.000 0.686 114 A CB 0.982 20.001 19.000 0.032 0.000 1.315 114 A HN 1.037 nan 8.150 nan 0.000 0.460 115 I N 0.152 120.782 120.570 0.101 0.000 2.533 115 I HA 0.353 4.524 4.170 0.000 0.000 0.290 115 I C -1.321 174.867 176.117 0.118 0.000 1.056 115 I CA -0.532 60.834 61.300 0.110 0.000 1.057 115 I CB 2.103 40.183 38.000 0.133 0.000 1.240 115 I HN 0.467 nan 8.210 nan 0.000 0.423 116 L N 8.566 129.866 121.223 0.129 0.000 2.315 116 L HA 0.435 4.775 4.340 0.000 0.000 0.278 116 L C -0.410 176.553 176.870 0.155 0.000 1.088 116 L CA -0.252 54.692 54.840 0.174 0.000 0.899 116 L CB 0.726 42.928 42.059 0.238 0.000 1.277 116 L HN 0.300 nan 8.230 nan 0.000 0.431 117 V N 5.337 125.347 119.914 0.160 0.000 2.655 117 V HA 0.229 4.349 4.120 0.000 0.000 0.300 117 V C 0.164 176.379 176.094 0.202 0.000 1.044 117 V CA -0.187 62.201 62.300 0.146 0.000 1.095 117 V CB 1.197 33.106 31.823 0.144 0.000 0.952 117 V HN 0.475 nan 8.190 nan 0.000 0.485 118 V N 4.361 124.341 119.914 0.109 0.000 2.462 118 V HA 0.550 4.671 4.120 0.000 0.000 0.288 118 V C 0.346 176.359 176.094 -0.134 0.000 1.020 118 V CA -0.621 61.725 62.300 0.077 0.000 0.857 118 V CB 1.572 33.420 31.823 0.041 0.000 1.013 118 V HN 1.057 nan 8.190 nan 0.000 0.431 119 A N 3.539 126.059 122.820 -0.501 0.000 2.498 119 A HA 0.615 4.935 4.320 0.000 0.000 0.239 119 A C 1.429 178.855 177.584 -0.264 0.000 1.068 119 A CA 0.620 52.361 52.037 -0.494 0.000 0.766 119 A CB 0.714 19.188 19.000 -0.878 0.000 1.003 119 A HN 1.387 nan 8.150 nan 0.000 0.497 120 A N 2.274 125.004 122.820 -0.151 0.000 1.975 120 A HA -0.060 4.260 4.320 0.000 0.000 0.215 120 A C 1.610 179.156 177.584 -0.063 0.000 1.170 120 A CA 1.331 53.314 52.037 -0.089 0.000 0.656 120 A CB -0.586 18.380 19.000 -0.058 0.000 0.821 120 A HN 0.970 nan 8.150 nan 0.000 0.449 121 N N 0.754 119.415 118.700 -0.064 0.000 2.512 121 N HA -0.044 4.697 4.740 0.000 0.000 0.183 121 N C 0.148 175.646 175.510 -0.021 0.000 1.073 121 N CA 0.662 53.693 53.050 -0.032 0.000 0.911 121 N CB -0.246 38.230 38.487 -0.019 0.000 0.964 121 N HN 0.631 nan 8.380 nan 0.000 0.447 122 E N 0.044 120.223 120.200 -0.034 0.000 2.221 122 E HA 0.435 4.785 4.350 0.000 0.000 0.268 122 E C -2.525 174.084 176.600 0.016 0.000 0.933 122 E CA -2.378 54.023 56.400 0.003 0.000 0.809 122 E CB 0.915 30.644 29.700 0.048 0.000 1.190 122 E HN 0.038 nan 8.360 nan 0.000 0.406 123 P HA -0.032 nan 4.420 nan 0.000 0.269 123 P C -1.265 176.068 177.300 0.055 0.000 1.217 123 P CA 0.224 63.342 63.100 0.028 0.000 0.783 123 P CB 0.322 32.020 31.700 -0.003 0.000 0.898 124 F N 2.976 122.876 119.950 -0.082 0.000 2.532 124 F HA 0.615 5.142 4.527 0.000 0.000 0.321 124 F C -2.378 173.351 175.800 -0.118 0.000 1.089 124 F CA -2.318 55.609 58.000 -0.122 0.000 0.926 124 F CB 1.466 40.375 39.000 -0.151 0.000 1.168 124 F HN 0.220 nan 8.300 nan 0.000 0.459 125 P HA 0.335 nan 4.420 nan 0.000 0.290 125 P C -1.525 175.411 177.300 -0.606 0.000 1.283 125 P CA -0.623 61.539 63.100 -1.564 0.000 0.869 125 P CB 1.792 32.244 31.700 -2.080 0.000 1.100 126 Q N 1.406 120.957 119.800 -0.415 0.000 2.318 126 Q HA 0.175 4.516 4.340 0.000 0.000 0.222 126 Q C -1.632 174.211 176.000 -0.262 0.000 1.003 126 Q CA -1.574 53.993 55.803 -0.393 0.000 0.936 126 Q CB -0.169 28.137 28.738 -0.721 0.000 1.204 126 Q HN 0.294 nan 8.270 nan 0.000 0.524 127 P HA -0.215 nan 4.420 nan 0.000 0.212 127 P C 0.897 178.238 177.300 0.068 0.000 1.174 127 P CA 1.626 64.733 63.100 0.012 0.000 0.934 127 P CB 0.307 32.077 31.700 0.117 0.000 0.791 128 Q N -1.673 118.245 119.800 0.196 0.000 2.297 128 Q HA -0.043 4.297 4.340 0.000 0.000 0.204 128 Q C 2.169 178.173 176.000 0.007 0.000 0.962 128 Q CA 1.373 57.133 55.803 -0.072 0.000 0.879 128 Q CB -1.669 26.813 28.738 -0.426 0.000 0.947 128 Q HN 0.219 nan 8.270 nan 0.000 0.462 129 T N 0.096 114.725 114.554 0.126 0.000 2.684 129 T HA -0.190 4.160 4.350 0.000 0.000 0.267 129 T C 1.781 176.543 174.700 0.105 0.000 1.036 129 T CA 1.668 63.840 62.100 0.120 0.000 1.148 129 T CB -0.054 68.823 68.868 0.016 0.000 0.863 129 T HN 0.261 nan 8.240 nan 0.000 0.436 130 R N 0.665 121.164 120.500 -0.002 0.000 2.055 130 R HA -0.024 4.317 4.340 0.000 0.000 0.228 130 R C 2.429 178.878 176.300 0.249 0.000 1.143 130 R CA 1.714 57.857 56.100 0.071 0.000 0.945 130 R CB -0.244 30.056 30.300 0.001 0.000 0.841 130 R HN 0.442 nan 8.270 nan 0.000 0.429 131 E N -0.259 120.043 120.200 0.171 0.000 2.035 131 E HA -0.304 4.047 4.350 0.000 0.000 0.204 131 E C 1.837 178.618 176.600 0.302 0.000 1.025 131 E CA 2.088 58.604 56.400 0.193 0.000 0.835 131 E CB -0.270 29.491 29.700 0.103 0.000 0.764 131 E HN 0.571 nan 8.360 nan 0.000 0.457 132 H N -1.322 117.859 119.070 0.185 0.000 2.400 132 H HA -0.208 4.348 4.556 0.000 0.000 0.295 132 H C 2.034 177.506 175.328 0.240 0.000 1.118 132 H CA 1.185 57.337 56.048 0.173 0.000 1.256 132 H CB -0.182 29.674 29.762 0.158 0.000 1.365 132 H HN 0.275 nan 8.280 nan 0.000 0.502 133 F N 0.892 121.028 119.950 0.310 0.000 2.000 133 F HA -0.240 4.287 4.527 0.000 0.000 0.295 133 F C 2.612 178.639 175.800 0.377 0.000 1.159 133 F CA 1.553 59.765 58.000 0.353 0.000 1.171 133 F CB -0.813 38.402 39.000 0.358 0.000 0.971 133 F HN -0.015 nan 8.300 nan 0.000 0.479 134 V N 1.081 121.398 119.914 0.672 0.000 2.982 134 V HA -0.164 3.957 4.120 0.000 0.000 0.265 134 V C 1.954 178.080 176.094 0.053 0.000 1.122 134 V CA 1.735 64.264 62.300 0.382 0.000 1.143 134 V CB -1.441 30.619 31.823 0.395 0.000 0.726 134 V HN 0.538 nan 8.190 nan 0.000 0.507 135 A N 0.341 123.211 122.820 0.084 0.000 1.872 135 A HA 0.034 4.354 4.320 0.000 0.000 0.214 135 A C 2.165 179.639 177.584 -0.184 0.000 1.187 135 A CA 1.766 53.789 52.037 -0.023 0.000 0.614 135 A CB -0.574 18.468 19.000 0.070 0.000 0.826 135 A HN 0.565 nan 8.150 nan 0.000 0.442 136 L N -0.482 120.637 121.223 -0.173 0.000 2.042 136 L HA -0.187 4.154 4.340 0.000 0.000 0.210 136 L C 2.853 179.270 176.870 -0.756 0.000 1.076 136 L CA 1.262 55.907 54.840 -0.324 0.000 0.749 136 L CB -1.084 40.891 42.059 -0.140 0.000 0.893 136 L HN 0.525 nan 8.230 nan 0.000 0.432 137 G N 0.609 108.792 108.800 -1.029 0.000 2.545 137 G HA2 -0.283 3.678 3.960 0.000 0.000 0.217 137 G HA3 -0.283 3.678 3.960 0.000 0.000 0.217 137 G C 1.521 175.796 174.900 -1.041 0.000 1.218 137 G CA 1.101 45.209 45.100 -1.653 0.000 0.787 137 G HN 0.270 nan 8.290 nan 0.000 0.571 138 I N 0.542 120.623 120.570 -0.814 0.000 2.069 138 I HA -0.195 3.975 4.170 0.000 0.000 0.237 138 I C 2.710 178.400 176.117 -0.713 0.000 1.053 138 I CA 1.069 61.773 61.300 -0.994 0.000 1.311 138 I CB -0.322 37.138 38.000 -0.901 0.000 1.030 138 I HN 0.121 nan 8.210 nan 0.000 0.398 139 I N 0.429 120.726 120.570 -0.454 0.000 2.381 139 I HA -0.269 3.901 4.170 0.000 0.000 0.255 139 I C 1.295 177.249 176.117 -0.271 0.000 1.140 139 I CA 1.603 62.733 61.300 -0.283 0.000 1.404 139 I CB -0.420 37.465 38.000 -0.191 0.000 1.075 139 I HN 0.646 nan 8.210 nan 0.000 0.433 140 G N 0.724 109.296 108.800 -0.380 0.000 2.245 140 G HA2 -0.121 3.839 3.960 0.000 0.000 0.130 140 G HA3 -0.121 3.839 3.960 0.000 0.000 0.130 140 G C -0.216 174.539 174.900 -0.242 0.000 1.040 140 G CA -0.099 44.824 45.100 -0.294 0.000 0.713 140 G HN 0.179 nan 8.290 nan 0.000 0.488 141 V N -1.575 118.141 119.914 -0.330 0.000 2.630 141 V HA 0.791 4.911 4.120 0.000 0.000 0.305 141 V C 1.003 177.021 176.094 -0.128 0.000 1.046 141 V CA -0.300 61.889 62.300 -0.184 0.000 0.934 141 V CB 2.003 33.746 31.823 -0.134 0.000 1.003 141 V HN 0.208 nan 8.190 nan 0.000 0.451 142 K N 0.979 121.410 120.400 0.052 0.000 2.474 142 K HA 0.243 4.563 4.320 0.000 0.000 0.202 142 K C 0.238 176.978 176.600 0.232 0.000 1.248 142 K CA -0.179 56.228 56.287 0.200 0.000 0.946 142 K CB 0.523 33.095 32.500 0.120 0.000 1.102 142 K HN 0.751 nan 8.250 nan 0.000 0.541 143 N N 2.439 121.228 118.700 0.148 0.000 2.448 143 N HA 0.081 4.821 4.740 0.000 0.000 0.250 143 N C -1.149 174.436 175.510 0.125 0.000 1.136 143 N CA 0.117 53.242 53.050 0.126 0.000 0.953 143 N CB 0.956 39.493 38.487 0.083 0.000 1.251 143 N HN 0.091 nan 8.380 nan 0.000 0.502 144 L N 3.673 124.957 121.223 0.102 0.000 2.381 144 L HA 0.592 4.933 4.340 0.000 0.000 0.274 144 L C -1.085 175.780 176.870 -0.008 0.000 0.988 144 L CA -0.537 54.338 54.840 0.059 0.000 0.824 144 L CB 1.442 43.516 42.059 0.025 0.000 1.263 144 L HN 0.294 nan 8.230 nan 0.000 0.410 145 I N 6.126 126.705 120.570 0.015 0.000 2.362 145 I HA 0.387 4.558 4.170 0.000 0.000 0.289 145 I C -0.413 175.709 176.117 0.008 0.000 0.994 145 I CA -0.496 60.790 61.300 -0.024 0.000 1.158 145 I CB 1.739 39.750 38.000 0.019 0.000 1.315 145 I HN 0.490 nan 8.210 nan 0.000 0.451 146 I N 6.974 127.532 120.570 -0.021 0.000 2.281 146 I HA 0.157 4.327 4.170 0.000 0.000 0.293 146 I C -0.079 176.033 176.117 -0.009 0.000 1.085 146 I CA -0.474 60.827 61.300 0.001 0.000 1.257 146 I CB 0.901 38.880 38.000 -0.035 0.000 1.430 146 I HN 0.258 nan 8.210 nan 0.000 0.489 147 V N 6.452 126.378 119.914 0.019 0.000 2.470 147 V HA 0.003 4.123 4.120 0.000 0.000 0.276 147 V C 0.399 176.489 176.094 -0.006 0.000 1.040 147 V CA -0.248 62.059 62.300 0.012 0.000 1.008 147 V CB 1.283 33.121 31.823 0.026 0.000 0.990 147 V HN 0.685 nan 8.190 nan 0.000 0.477 148 Q N 6.036 125.825 119.800 -0.019 0.000 2.406 148 Q HA 0.263 4.604 4.340 0.000 0.000 0.242 148 Q C -0.172 175.812 176.000 -0.026 0.000 1.036 148 Q CA 0.490 56.270 55.803 -0.038 0.000 0.904 148 Q CB 0.387 29.109 28.738 -0.026 0.000 1.244 148 Q HN 0.821 nan 8.270 nan 0.000 0.478 149 N N 2.660 121.340 118.700 -0.034 0.000 2.483 149 N HA 0.305 5.046 4.740 0.000 0.000 0.285 149 N C -0.942 174.549 175.510 -0.033 0.000 1.210 149 N CA -0.600 52.437 53.050 -0.022 0.000 0.931 149 N CB 0.611 39.093 38.487 -0.009 0.000 1.220 149 N HN 0.581 nan 8.380 nan 0.000 0.542 150 K N 0.467 120.862 120.400 -0.009 0.000 3.974 150 K HA -0.122 4.199 4.320 0.000 0.000 0.280 150 K C 0.662 177.261 176.600 -0.003 0.000 0.949 150 K CA 0.364 56.651 56.287 -0.000 0.000 0.817 150 K CB -1.802 30.688 32.500 -0.017 0.000 1.535 150 K HN 0.476 nan 8.250 nan 0.000 0.444 151 V N -2.103 117.818 119.914 0.011 0.000 3.565 151 V HA -0.033 4.087 4.120 0.000 0.000 0.260 151 V C 1.348 177.452 176.094 0.016 0.000 1.231 151 V CA 1.005 63.306 62.300 0.003 0.000 1.100 151 V CB 0.214 32.034 31.823 -0.005 0.000 0.807 151 V HN 0.442 nan 8.190 nan 0.000 0.454 152 D N 2.295 122.722 120.400 0.045 0.000 2.396 152 D HA -0.006 4.634 4.640 0.000 0.000 0.255 152 D C 0.949 177.287 176.300 0.062 0.000 1.224 152 D CA 1.128 55.166 54.000 0.063 0.000 0.894 152 D CB 0.194 41.093 40.800 0.164 0.000 0.939 152 D HN 0.748 nan 8.370 nan 0.000 0.506 153 V N -3.406 116.528 119.914 0.034 0.000 3.861 153 V HA 0.265 4.385 4.120 0.000 0.000 0.454 153 V C -0.199 175.901 176.094 0.010 0.000 1.667 153 V CA -0.160 62.156 62.300 0.026 0.000 1.793 153 V CB -0.233 31.607 31.823 0.028 0.000 1.098 153 V HN 0.151 nan 8.190 nan 0.000 0.544 154 V N -2.036 117.880 119.914 0.004 0.000 3.049 154 V HA 0.951 5.072 4.120 0.000 0.000 0.309 154 V C 0.018 176.108 176.094 -0.005 0.000 1.148 154 V CA -0.043 62.256 62.300 -0.003 0.000 0.990 154 V CB 1.677 33.494 31.823 -0.009 0.000 1.039 154 V HN 0.816 nan 8.190 nan 0.000 0.430 155 S N 1.821 117.517 115.700 -0.006 0.000 2.584 155 S HA 0.377 4.848 4.470 0.000 0.000 0.273 155 S C 0.779 175.372 174.600 -0.012 0.000 1.311 155 S CA -0.082 58.113 58.200 -0.008 0.000 1.034 155 S CB 1.063 64.259 63.200 -0.007 0.000 0.939 155 S HN 0.912 nan 8.310 nan 0.000 0.513 156 K N 1.317 121.707 120.400 -0.016 0.000 2.074 156 K HA -0.155 4.165 4.320 0.000 0.000 0.209 156 K C 1.820 178.408 176.600 -0.020 0.000 1.048 156 K CA 1.393 57.666 56.287 -0.023 0.000 0.926 156 K CB -0.228 32.256 32.500 -0.026 0.000 0.713 156 K HN 0.588 nan 8.250 nan 0.000 0.444 157 E N 1.266 121.458 120.200 -0.014 0.000 2.209 157 E HA -0.198 4.153 4.350 0.000 0.000 0.196 157 E C 1.640 178.238 176.600 -0.004 0.000 0.993 157 E CA 1.347 57.742 56.400 -0.009 0.000 0.819 157 E CB 0.158 29.854 29.700 -0.007 0.000 0.745 157 E HN 0.425 nan 8.360 nan 0.000 0.477 158 E N -0.356 119.841 120.200 -0.005 0.000 2.045 158 E HA 0.042 4.392 4.350 0.000 0.000 0.190 158 E C 2.049 178.649 176.600 -0.000 0.000 0.968 158 E CA 0.559 56.958 56.400 -0.001 0.000 0.813 158 E CB -0.169 29.529 29.700 -0.004 0.000 0.780 158 E HN 0.173 nan 8.360 nan 0.000 0.455 159 A N 1.652 124.468 122.820 -0.007 0.000 2.054 159 A HA -0.244 4.077 4.320 0.000 0.000 0.223 159 A C 2.169 179.766 177.584 0.021 0.000 1.169 159 A CA 1.509 53.542 52.037 -0.006 0.000 0.655 159 A CB -0.746 18.244 19.000 -0.017 0.000 0.812 159 A HN 0.328 nan 8.150 nan 0.000 0.462 160 L N -1.373 119.858 121.223 0.014 0.000 2.068 160 L HA -0.040 4.301 4.340 0.000 0.000 0.204 160 L C 2.536 179.462 176.870 0.092 0.000 1.076 160 L CA 1.925 56.790 54.840 0.042 0.000 0.753 160 L CB -0.480 41.574 42.059 -0.008 0.000 0.910 160 L HN 0.337 nan 8.230 nan 0.000 0.439 161 S N -0.480 115.246 115.700 0.043 0.000 2.368 161 S HA -0.375 4.095 4.470 0.000 0.000 0.226 161 S C 2.080 176.693 174.600 0.022 0.000 1.044 161 S CA 2.247 60.467 58.200 0.033 0.000 1.062 161 S CB -0.485 62.725 63.200 0.017 0.000 0.931 161 S HN 0.696 nan 8.310 nan 0.000 0.440 162 Q N -1.078 118.723 119.800 0.002 0.000 2.050 162 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 162 Q C 1.999 177.924 176.000 -0.124 0.000 0.980 162 Q CA 1.942 57.709 55.803 -0.061 0.000 0.840 162 Q CB -0.531 28.158 28.738 -0.082 0.000 0.898 162 Q HN 0.784 nan 8.270 nan 0.000 0.424 163 Y N 1.623 121.833 120.300 -0.150 0.000 2.062 163 Y HA -0.393 4.157 4.550 0.000 0.000 0.273 163 Y C 2.163 177.982 175.900 -0.136 0.000 1.206 163 Y CA 2.520 60.526 58.100 -0.155 0.000 1.125 163 Y CB -0.271 38.127 38.460 -0.104 0.000 0.951 163 Y HN 0.137 nan 8.280 nan 0.000 0.501 164 R N 0.548 120.986 120.500 -0.104 0.000 2.096 164 R HA -0.234 4.106 4.340 0.000 0.000 0.240 164 R C 2.105 178.284 176.300 -0.202 0.000 1.139 164 R CA 2.257 58.278 56.100 -0.132 0.000 0.952 164 R CB -1.240 29.072 30.300 0.019 0.000 0.854 164 R HN 0.653 nan 8.270 nan 0.000 0.436 165 Q N 0.443 120.155 119.800 -0.147 0.000 2.020 165 Q HA -0.049 4.291 4.340 0.000 0.000 0.202 165 Q C 2.358 178.272 176.000 -0.145 0.000 0.982 165 Q CA 1.387 57.149 55.803 -0.069 0.000 0.838 165 Q CB -0.382 28.375 28.738 0.031 0.000 0.899 165 Q HN 0.327 nan 8.270 nan 0.000 0.423 166 I N 0.943 121.215 120.570 -0.497 0.000 2.381 166 I HA -0.320 3.850 4.170 0.000 0.000 0.255 166 I C 2.426 178.354 176.117 -0.315 0.000 1.140 166 I CA 1.325 62.194 61.300 -0.719 0.000 1.404 166 I CB -0.304 37.181 38.000 -0.858 0.000 1.075 166 I HN 0.192 nan 8.210 nan 0.000 0.433 167 K N 0.766 120.956 120.400 -0.351 0.000 2.029 167 K HA -0.148 4.172 4.320 0.000 0.000 0.205 167 K C 2.273 178.819 176.600 -0.089 0.000 1.042 167 K CA 0.878 57.009 56.287 -0.261 0.000 0.949 167 K CB -0.154 32.107 32.500 -0.399 0.000 0.740 167 K HN 0.139 nan 8.250 nan 0.000 0.442 168 Q N -0.251 119.513 119.800 -0.060 0.000 2.135 168 Q HA -0.217 4.124 4.340 0.000 0.000 0.204 168 Q C 1.906 177.924 176.000 0.030 0.000 0.981 168 Q CA 1.692 57.488 55.803 -0.012 0.000 0.856 168 Q CB -0.170 28.569 28.738 0.001 0.000 0.902 168 Q HN 0.386 nan 8.270 nan 0.000 0.425 169 F N 0.700 120.617 119.950 -0.056 0.000 2.202 169 F HA -0.193 4.334 4.527 0.000 0.000 0.301 169 F C 2.082 177.820 175.800 -0.103 0.000 1.082 169 F CA 1.814 59.789 58.000 -0.042 0.000 1.313 169 F CB -0.447 38.610 39.000 0.095 0.000 1.024 169 F HN -0.046 nan 8.300 nan 0.000 0.495 170 T N 0.699 115.323 114.554 0.117 0.000 2.951 170 T HA -0.092 4.258 4.350 0.000 0.000 0.268 170 T C 0.495 175.149 174.700 -0.076 0.000 1.073 170 T CA 0.650 62.764 62.100 0.023 0.000 1.134 170 T CB -0.328 68.559 68.868 0.031 0.000 0.884 170 T HN 0.222 nan 8.240 nan 0.000 0.479 171 K N 0.924 121.278 120.400 -0.076 0.000 2.542 171 K HA 0.283 4.603 4.320 0.000 0.000 0.276 171 K C 1.315 177.871 176.600 -0.073 0.000 0.963 171 K CA 0.708 56.956 56.287 -0.064 0.000 0.975 171 K CB -0.788 31.680 32.500 -0.052 0.000 0.901 171 K HN 0.076 nan 8.250 nan 0.000 0.506 172 G N 0.214 108.992 108.800 -0.037 0.000 2.249 172 G HA2 -0.358 3.602 3.960 0.000 0.000 0.269 172 G HA3 -0.358 3.602 3.960 0.000 0.000 0.269 172 G C 0.346 175.253 174.900 0.011 0.000 0.979 172 G CA 1.248 46.340 45.100 -0.014 0.000 0.644 172 G HN 1.279 nan 8.290 nan 0.000 0.546 173 T N -2.032 112.511 114.554 -0.019 0.000 2.899 173 T HA 0.429 4.779 4.350 0.000 0.000 0.284 173 T C 1.532 176.225 174.700 -0.012 0.000 1.004 173 T CA 0.164 62.274 62.100 0.017 0.000 1.043 173 T CB 0.887 69.742 68.868 -0.022 0.000 1.013 173 T HN 0.840 nan 8.240 nan 0.000 0.518 174 W N 0.672 122.011 121.300 0.064 0.000 2.424 174 W HA 0.124 4.784 4.660 0.001 0.000 0.264 174 W C 0.640 177.171 176.519 0.020 0.000 1.229 174 W CA 0.395 57.748 57.345 0.014 0.000 1.208 174 W CB -1.199 28.234 29.460 -0.044 0.000 1.127 174 W HN 0.738 nan 8.180 nan 0.000 0.588 175 A N 0.959 123.350 122.820 -0.715 0.000 2.911 175 A HA 0.177 4.498 4.320 0.000 0.000 0.304 175 A C 1.398 178.824 177.584 -0.262 0.000 1.144 175 A CA -0.339 51.342 52.037 -0.594 0.000 0.988 175 A CB -0.582 17.738 19.000 -1.134 0.000 1.141 175 A HN 0.291 nan 8.150 nan 0.000 0.552 176 E N 0.258 120.372 120.200 -0.144 0.000 2.396 176 E HA -0.182 4.168 4.350 0.000 0.000 0.200 176 E C 0.389 176.953 176.600 -0.061 0.000 1.023 176 E CA 1.039 57.394 56.400 -0.076 0.000 0.857 176 E CB 0.059 29.738 29.700 -0.036 0.000 0.775 176 E HN 0.631 nan 8.360 nan 0.000 0.525 177 N N -0.223 118.437 118.700 -0.068 0.000 2.588 177 N HA 0.079 4.819 4.740 0.000 0.000 0.298 177 N C -1.459 173.995 175.510 -0.095 0.000 1.718 177 N CA -0.173 52.845 53.050 -0.055 0.000 0.888 177 N CB 0.971 39.449 38.487 -0.015 0.000 1.389 177 N HN -0.187 nan 8.380 nan 0.000 0.491 178 V N 1.626 121.463 119.914 -0.128 0.000 2.775 178 V HA 0.387 4.507 4.120 0.000 0.000 0.299 178 V C -1.562 174.404 176.094 -0.214 0.000 1.062 178 V CA -1.124 61.066 62.300 -0.184 0.000 1.063 178 V CB 1.072 32.803 31.823 -0.154 0.000 0.994 178 V HN 0.318 nan 8.190 nan 0.000 0.483 179 P HA 0.284 nan 4.420 nan 0.000 0.271 179 P C -0.019 177.197 177.300 -0.139 0.000 1.244 179 P CA 0.072 62.980 63.100 -0.320 0.000 0.793 179 P CB 0.434 31.792 31.700 -0.571 0.000 0.984 180 I N -0.027 120.512 120.570 -0.051 0.000 3.297 180 I HA 0.152 4.322 4.170 0.000 0.000 0.321 180 I C -0.075 176.055 176.117 0.023 0.000 1.503 180 I CA -0.221 61.080 61.300 0.003 0.000 0.929 180 I CB 0.034 38.084 38.000 0.083 0.000 1.531 180 I HN 0.229 nan 8.210 nan 0.000 0.599 181 I N 5.977 126.549 120.570 0.004 0.000 3.477 181 I HA -0.097 4.074 4.170 0.000 0.000 0.295 181 I C -1.664 174.458 176.117 0.008 0.000 1.225 181 I CA -0.389 60.918 61.300 0.012 0.000 1.431 181 I CB -0.770 37.243 38.000 0.021 0.000 1.516 181 I HN 0.021 nan 8.210 nan 0.000 0.603 182 P HA 0.146 nan 4.420 nan 0.000 0.271 182 P C -0.215 177.085 177.300 -0.001 0.000 1.220 182 P CA 0.146 63.244 63.100 -0.003 0.000 0.768 182 P CB 1.659 33.350 31.700 -0.014 0.000 0.848 183 V N 0.264 120.179 119.914 0.002 0.000 3.087 183 V HA 0.810 4.930 4.120 0.000 0.000 0.311 183 V C -0.511 175.595 176.094 0.020 0.000 1.333 183 V CA -0.832 61.474 62.300 0.010 0.000 1.054 183 V CB 1.608 33.435 31.823 0.007 0.000 1.123 183 V HN 0.522 nan 8.190 nan 0.000 0.473 184 S N -0.627 115.093 115.700 0.035 0.000 2.440 184 S HA 0.604 5.075 4.470 0.000 0.000 0.142 184 S C 0.933 175.562 174.600 0.048 0.000 1.578 184 S CA 0.418 58.654 58.200 0.061 0.000 1.260 184 S CB 0.336 63.612 63.200 0.128 0.000 1.407 184 S HN 1.982 nan 8.310 nan 0.000 0.392 185 A N 2.721 125.550 122.820 0.015 0.000 1.985 185 A HA -0.153 4.167 4.320 0.000 0.000 0.223 185 A C 2.002 179.586 177.584 -0.001 0.000 1.189 185 A CA 2.192 54.226 52.037 -0.005 0.000 0.658 185 A CB -0.773 18.213 19.000 -0.023 0.000 0.820 185 A HN 0.968 nan 8.150 nan 0.000 0.464 186 L N -0.864 120.346 121.223 -0.021 0.000 1.994 186 L HA -0.164 4.176 4.340 0.000 0.000 0.208 186 L C 2.093 178.887 176.870 -0.128 0.000 1.071 186 L CA 2.660 57.443 54.840 -0.096 0.000 0.745 186 L CB -0.902 41.026 42.059 -0.218 0.000 0.892 186 L HN 0.551 nan 8.230 nan 0.000 0.431 187 H N -0.027 119.058 119.070 0.025 0.000 2.547 187 H HA 0.126 4.682 4.556 0.000 0.000 0.266 187 H C 0.107 175.445 175.328 0.016 0.000 0.988 187 H CA 0.162 56.222 56.048 0.020 0.000 1.147 187 H CB 0.036 29.805 29.762 0.013 0.000 1.365 187 H HN 0.271 nan 8.280 nan 0.000 0.589 188 K N 0.588 121.046 120.400 0.096 0.000 3.150 188 K HA -0.167 4.153 4.320 0.000 0.000 0.267 188 K C -0.981 175.655 176.600 0.061 0.000 1.028 188 K CA 0.388 56.709 56.287 0.056 0.000 0.753 188 K CB -1.659 30.870 32.500 0.048 0.000 1.288 188 K HN 0.408 nan 8.250 nan 0.000 0.473 189 I N 0.257 120.869 120.570 0.070 0.000 2.378 189 I HA 0.156 4.327 4.170 0.000 0.000 0.291 189 I C 0.980 177.116 176.117 0.032 0.000 0.992 189 I CA -0.568 60.762 61.300 0.050 0.000 1.154 189 I CB 1.533 39.563 38.000 0.050 0.000 1.315 189 I HN 0.358 nan 8.210 nan 0.000 0.448 190 N N 3.549 122.264 118.700 0.026 0.000 2.882 190 N HA -0.150 4.590 4.740 0.000 0.000 0.249 190 N C 1.036 176.558 175.510 0.019 0.000 1.079 190 N CA -0.017 53.047 53.050 0.022 0.000 0.800 190 N CB -0.283 38.214 38.487 0.016 0.000 1.124 190 N HN 0.521 nan 8.380 nan 0.000 0.557 191 I N 1.582 122.162 120.570 0.017 0.000 2.252 191 I HA -0.204 3.966 4.170 0.000 0.000 0.245 191 I C 2.446 178.569 176.117 0.009 0.000 1.102 191 I CA 1.728 63.030 61.300 0.002 0.000 1.385 191 I CB -1.160 36.836 38.000 -0.006 0.000 1.064 191 I HN 0.336 nan 8.210 nan 0.000 0.414 192 D N 0.130 120.550 120.400 0.033 0.000 2.144 192 D HA -0.162 4.478 4.640 0.000 0.000 0.199 192 D C 1.884 178.216 176.300 0.054 0.000 0.984 192 D CA 1.285 55.322 54.000 0.062 0.000 0.834 192 D CB -0.354 40.506 40.800 0.101 0.000 0.955 192 D HN 0.190 nan 8.370 nan 0.000 0.465 193 S N 0.227 115.957 115.700 0.050 0.000 2.419 193 S HA -0.077 4.393 4.470 0.000 0.000 0.233 193 S C 1.809 176.425 174.600 0.027 0.000 1.016 193 S CA 0.261 58.492 58.200 0.051 0.000 0.974 193 S CB -0.202 63.025 63.200 0.045 0.000 0.786 193 S HN 0.180 nan 8.310 nan 0.000 0.492 194 L N 1.934 123.164 121.223 0.010 0.000 2.044 194 L HA 0.156 4.497 4.340 0.000 0.000 0.205 194 L C 1.798 178.651 176.870 -0.029 0.000 1.075 194 L CA 1.493 56.339 54.840 0.009 0.000 0.747 194 L CB -0.546 41.518 42.059 0.007 0.000 0.903 194 L HN 0.266 nan 8.230 nan 0.000 0.435 195 I N -0.505 120.018 120.570 -0.079 0.000 2.530 195 I HA -0.282 3.888 4.170 0.000 0.000 0.257 195 I C 2.352 178.206 176.117 -0.437 0.000 1.179 195 I CA 1.487 62.674 61.300 -0.189 0.000 1.440 195 I CB -0.430 37.463 38.000 -0.178 0.000 1.087 195 I HN 0.486 nan 8.210 nan 0.000 0.440 196 E N 1.186 121.148 120.200 -0.397 0.000 2.170 196 E HA -0.089 4.261 4.350 0.000 0.000 0.191 196 E C 2.305 178.815 176.600 -0.150 0.000 0.981 196 E CA 0.840 56.973 56.400 -0.445 0.000 0.830 196 E CB -0.006 29.671 29.700 -0.038 0.000 0.775 196 E HN 0.456 nan 8.360 nan 0.000 0.470 197 G N 2.022 110.818 108.800 -0.008 0.000 2.414 197 G HA2 -0.224 3.736 3.960 0.000 0.000 0.215 197 G HA3 -0.224 3.736 3.960 0.000 0.000 0.215 197 G C 1.588 176.588 174.900 0.166 0.000 1.188 197 G CA 1.033 46.245 45.100 0.187 0.000 0.783 197 G HN 0.376 nan 8.290 nan 0.000 0.537 198 I N -0.619 119.982 120.570 0.053 0.000 3.001 198 I HA 0.124 4.294 4.170 0.000 0.000 0.268 198 I C 2.181 178.269 176.117 -0.048 0.000 1.267 198 I CA 1.158 62.478 61.300 0.033 0.000 1.472 198 I CB -0.116 37.906 38.000 0.037 0.000 1.089 198 I HN 0.037 nan 8.210 nan 0.000 0.468 199 E N 1.587 121.712 120.200 -0.124 0.000 2.250 199 E HA -0.145 4.205 4.350 0.000 0.000 0.192 199 E C 1.939 178.456 176.600 -0.140 0.000 0.986 199 E CA 0.824 57.129 56.400 -0.159 0.000 0.849 199 E CB 0.189 29.715 29.700 -0.290 0.000 0.797 199 E HN 0.506 nan 8.360 nan 0.000 0.482 200 E N -1.176 118.908 120.200 -0.193 0.000 2.102 200 E HA -0.047 4.303 4.350 0.000 0.000 0.190 200 E C 0.981 177.259 176.600 -0.536 0.000 0.971 200 E CA 1.116 57.278 56.400 -0.397 0.000 0.821 200 E CB -0.248 29.108 29.700 -0.573 0.000 0.777 200 E HN 0.341 nan 8.360 nan 0.000 0.460 201 Y N -0.626 119.668 120.300 -0.010 0.000 2.458 201 Y HA 0.412 4.962 4.550 0.000 0.000 0.254 201 Y C 0.296 176.194 175.900 -0.003 0.000 1.120 201 Y CA -0.076 58.024 58.100 0.000 0.000 1.282 201 Y CB 0.771 39.235 38.460 0.006 0.000 1.109 201 Y HN -0.110 nan 8.280 nan 0.000 0.526 202 I N 2.514 123.135 120.570 0.086 0.000 2.537 202 I HA 0.246 4.416 4.170 0.000 0.000 0.276 202 I C -0.996 175.113 176.117 -0.013 0.000 1.063 202 I CA -0.662 60.661 61.300 0.038 0.000 1.144 202 I CB 0.717 38.727 38.000 0.017 0.000 1.252 202 I HN -0.075 nan 8.210 nan 0.000 0.480 203 K N 3.501 123.896 120.400 -0.008 0.000 2.164 203 K HA 0.559 4.879 4.320 0.000 0.000 0.258 203 K C -0.258 176.333 176.600 -0.014 0.000 0.951 203 K CA -0.867 55.407 56.287 -0.021 0.000 0.844 203 K CB 1.208 33.697 32.500 -0.017 0.000 1.099 203 K HN 0.227 nan 8.250 nan 0.000 0.435 204 T N 4.033 118.574 114.554 -0.022 0.000 2.819 204 T HA 0.009 4.360 4.350 0.000 0.000 0.282 204 T C -2.016 172.690 174.700 0.010 0.000 1.013 204 T CA -0.461 61.630 62.100 -0.016 0.000 1.159 204 T CB -0.336 68.523 68.868 -0.014 0.000 1.007 204 T HN 0.405 nan 8.240 nan 0.000 0.514 205 P HA 0.237 nan 4.420 nan 0.000 0.278 205 P C -0.834 176.504 177.300 0.063 0.000 1.266 205 P CA -0.843 62.280 63.100 0.039 0.000 0.807 205 P CB 0.389 32.100 31.700 0.018 0.000 1.094 206 Y N 1.496 121.793 120.300 -0.006 0.000 2.465 206 Y HA 0.213 4.763 4.550 0.001 0.000 0.331 206 Y C 0.065 175.962 175.900 -0.005 0.000 1.102 206 Y CA -0.245 57.853 58.100 -0.005 0.000 1.358 206 Y CB 0.207 38.666 38.460 -0.002 0.000 1.213 206 Y HN 0.123 nan 8.280 nan 0.000 0.525 207 R N 4.895 125.014 120.500 -0.636 0.000 2.230 207 R HA 0.140 4.481 4.340 0.000 0.000 0.337 207 R C -0.979 174.772 176.300 -0.915 0.000 1.063 207 R CA -0.585 55.145 56.100 -0.616 0.000 0.935 207 R CB -0.144 29.998 30.300 -0.263 0.000 1.121 207 R HN 0.590 nan 8.270 nan 0.000 0.486 208 D N 3.851 123.730 120.400 -0.869 0.000 2.441 208 D HA -0.041 4.599 4.640 0.000 0.000 0.243 208 D C 0.351 176.516 176.300 -0.224 0.000 1.257 208 D CA 0.122 53.836 54.000 -0.477 0.000 1.027 208 D CB 0.413 41.093 40.800 -0.200 0.000 1.084 208 D HN 0.499 nan 8.370 nan 0.000 0.514 209 L N 2.524 123.649 121.223 -0.163 0.000 2.762 209 L HA -0.037 4.303 4.340 0.000 0.000 0.250 209 L C 1.620 178.447 176.870 -0.071 0.000 1.160 209 L CA 0.263 55.041 54.840 -0.104 0.000 0.951 209 L CB -0.611 41.407 42.059 -0.069 0.000 1.148 209 L HN 0.337 nan 8.230 nan 0.000 0.424 210 S N -2.992 112.674 115.700 -0.056 0.000 2.505 210 S HA 0.082 4.553 4.470 0.000 0.000 0.216 210 S C 0.817 175.390 174.600 -0.045 0.000 1.018 210 S CA -0.574 57.605 58.200 -0.035 0.000 0.911 210 S CB 0.243 63.443 63.200 -0.001 0.000 0.818 210 S HN 0.418 nan 8.310 nan 0.000 0.497 211 Q N 1.630 121.398 119.800 -0.053 0.000 2.535 211 Q HA 0.223 4.563 4.340 0.000 0.000 0.228 211 Q C -0.221 175.738 176.000 -0.069 0.000 1.062 211 Q CA -0.168 55.610 55.803 -0.042 0.000 0.967 211 Q CB 0.363 29.083 28.738 -0.030 0.000 1.273 211 Q HN 0.313 nan 8.270 nan 0.000 0.554 212 K N 1.579 121.955 120.400 -0.040 0.000 2.451 212 K HA 0.086 4.406 4.320 0.000 0.000 0.280 212 K C -2.355 174.173 176.600 -0.121 0.000 1.020 212 K CA -1.369 54.885 56.287 -0.056 0.000 1.008 212 K CB 0.217 32.724 32.500 0.012 0.000 0.917 212 K HN 0.188 nan 8.250 nan 0.000 0.478 213 P HA 0.004 nan 4.420 nan 0.000 0.267 213 P C -1.347 175.852 177.300 -0.168 0.000 1.205 213 P CA -0.225 62.522 63.100 -0.589 0.000 0.765 213 P CB 0.855 31.790 31.700 -1.275 0.000 0.828 214 V N 4.798 124.737 119.914 0.041 0.000 2.697 214 V HA 0.394 4.514 4.120 0.000 0.000 0.300 214 V C -0.538 175.592 176.094 0.061 0.000 1.115 214 V CA -0.385 61.964 62.300 0.082 0.000 0.912 214 V CB 1.898 33.615 31.823 -0.176 0.000 1.024 214 V HN 0.553 nan 8.190 nan 0.000 0.431 215 M N 5.992 125.580 119.600 -0.019 0.000 2.393 215 M HA 0.670 5.150 4.480 0.000 0.000 0.316 215 M C -1.938 174.181 176.300 -0.301 0.000 1.087 215 M CA -0.674 54.515 55.300 -0.184 0.000 0.937 215 M CB 1.929 34.337 32.600 -0.321 0.000 1.668 215 M HN 0.537 nan 8.290 nan 0.000 0.438 216 L N 5.331 126.369 121.223 -0.308 0.000 2.264 216 L HA 0.489 4.829 4.340 0.000 0.000 0.289 216 L C -0.714 176.004 176.870 -0.253 0.000 1.044 216 L CA -1.011 53.645 54.840 -0.307 0.000 0.807 216 L CB 1.346 43.225 42.059 -0.300 0.000 1.192 216 L HN 0.479 nan 8.230 nan 0.000 0.425 217 V N 4.829 124.602 119.914 -0.234 0.000 2.465 217 V HA 0.240 4.360 4.120 0.000 0.000 0.279 217 V C 0.832 176.818 176.094 -0.181 0.000 1.045 217 V CA -0.251 61.918 62.300 -0.218 0.000 0.938 217 V CB 1.485 33.179 31.823 -0.216 0.000 0.986 217 V HN 0.754 nan 8.190 nan 0.000 0.467 218 I N 1.889 122.354 120.570 -0.174 0.000 4.050 218 I HA 0.523 4.693 4.170 0.000 0.000 0.327 218 I C 0.445 176.496 176.117 -0.110 0.000 1.473 218 I CA -0.380 60.840 61.300 -0.134 0.000 1.124 218 I CB -0.094 37.830 38.000 -0.128 0.000 1.129 218 I HN 0.766 nan 8.210 nan 0.000 0.428 219 R N 0.829 121.248 120.500 -0.135 0.000 2.829 219 R HA 0.722 5.062 4.340 0.000 0.000 0.284 219 R C -1.384 174.790 176.300 -0.211 0.000 1.006 219 R CA -0.370 55.668 56.100 -0.103 0.000 0.844 219 R CB 0.932 31.224 30.300 -0.013 0.000 1.309 219 R HN 0.163 nan 8.270 nan 0.000 0.494 220 S N -0.411 115.168 115.700 -0.202 0.000 2.586 220 S HA 0.810 5.280 4.470 0.000 0.000 0.277 220 S C -1.101 173.363 174.600 -0.227 0.000 1.131 220 S CA -0.856 57.084 58.200 -0.434 0.000 0.848 220 S CB 1.288 64.323 63.200 -0.276 0.000 1.091 220 S HN 0.874 nan 8.310 nan 0.000 0.453 221 F N -1.050 118.862 119.950 -0.062 0.000 2.877 221 F HA 0.810 5.337 4.527 0.000 0.000 0.319 221 F C -1.563 174.211 175.800 -0.043 0.000 1.174 221 F CA -0.959 57.013 58.000 -0.047 0.000 0.903 221 F CB 0.336 39.309 39.000 -0.045 0.000 1.357 221 F HN 0.585 nan 8.300 nan 0.000 0.472 222 D N 0.872 121.433 120.400 0.268 0.000 2.381 222 D HA 0.467 5.107 4.640 0.000 0.000 0.235 222 D C 0.766 177.169 176.300 0.171 0.000 1.068 222 D CA -0.474 53.618 54.000 0.153 0.000 0.832 222 D CB 2.139 42.989 40.800 0.083 0.000 1.101 222 D HN 0.539 nan 8.370 nan 0.000 0.515 223 V N 2.175 122.188 119.914 0.164 0.000 2.302 223 V HA 0.019 4.139 4.120 0.000 0.000 0.243 223 V C 0.884 177.003 176.094 0.041 0.000 1.036 223 V CA 0.107 62.465 62.300 0.097 0.000 1.020 223 V CB -0.952 30.931 31.823 0.101 0.000 0.657 223 V HN 0.535 nan 8.190 nan 0.000 0.453 224 N N 2.374 121.098 118.700 0.040 0.000 1.794 224 N HA -0.118 4.622 4.740 0.000 0.000 0.324 224 N C 0.039 175.563 175.510 0.024 0.000 1.301 224 N CA 0.899 53.967 53.050 0.030 0.000 0.798 224 N CB 0.165 38.672 38.487 0.034 0.000 1.038 224 N HN 0.532 nan 8.380 nan 0.000 0.506 225 K N 2.741 123.151 120.400 0.017 0.000 2.132 225 K HA 0.250 4.570 4.320 0.000 0.000 0.240 225 K C -2.113 174.498 176.600 0.018 0.000 1.036 225 K CA -0.957 55.337 56.287 0.012 0.000 0.888 225 K CB 0.041 32.546 32.500 0.009 0.000 1.071 225 K HN 0.281 nan 8.250 nan 0.000 0.502 226 P HA 0.156 nan 4.420 nan 0.000 0.275 226 P C 0.064 177.375 177.300 0.019 0.000 1.227 226 P CA 0.304 63.414 63.100 0.017 0.000 0.781 226 P CB 1.154 32.861 31.700 0.012 0.000 0.906 227 G N 1.522 110.335 108.800 0.023 0.000 2.358 227 G HA2 -0.250 3.711 3.960 0.000 0.000 0.224 227 G HA3 -0.250 3.711 3.960 0.000 0.000 0.224 227 G C 0.363 175.284 174.900 0.035 0.000 1.073 227 G CA 0.063 45.177 45.100 0.024 0.000 0.635 227 G HN 0.634 nan 8.290 nan 0.000 0.509 228 T N 4.134 118.711 114.554 0.039 0.000 2.657 228 T HA 0.214 4.564 4.350 0.000 0.000 0.245 228 T C 1.010 175.759 174.700 0.081 0.000 1.021 228 T CA 1.128 63.260 62.100 0.053 0.000 1.155 228 T CB 0.411 69.308 68.868 0.048 0.000 1.022 228 T HN 0.597 nan 8.240 nan 0.000 0.477 229 Q N 2.765 122.627 119.800 0.104 0.000 2.793 229 Q HA 0.042 4.383 4.340 0.000 0.000 0.220 229 Q C 1.599 177.765 176.000 0.276 0.000 1.123 229 Q CA 0.019 55.929 55.803 0.178 0.000 1.073 229 Q CB -0.044 28.821 28.738 0.213 0.000 1.315 229 Q HN 0.879 nan 8.270 nan 0.000 0.619 230 F N -1.576 118.383 119.950 0.014 0.000 2.615 230 F HA 0.159 4.686 4.527 0.000 0.000 0.297 230 F C 1.106 176.917 175.800 0.019 0.000 1.124 230 F CA 0.255 58.265 58.000 0.016 0.000 1.451 230 F CB 0.123 39.133 39.000 0.015 0.000 1.103 230 F HN 0.293 nan 8.300 nan 0.000 0.569 231 N N 0.452 119.063 118.700 -0.149 0.000 2.280 231 N HA 0.030 4.770 4.740 0.000 0.000 0.192 231 N C 0.144 175.584 175.510 -0.117 0.000 1.109 231 N CA 0.245 53.075 53.050 -0.365 0.000 0.855 231 N CB 0.096 38.344 38.487 -0.399 0.000 0.974 231 N HN 0.222 nan 8.380 nan 0.000 0.482 232 E N -0.457 119.731 120.200 -0.020 0.000 2.651 232 E HA 0.256 4.607 4.350 0.000 0.000 0.208 232 E C -0.612 175.989 176.600 0.002 0.000 0.997 232 E CA -0.151 56.247 56.400 -0.003 0.000 1.020 232 E CB 0.444 30.158 29.700 0.023 0.000 1.052 232 E HN 0.238 nan 8.360 nan 0.000 0.465 233 L N 1.768 122.989 121.223 -0.003 0.000 2.410 233 L HA 0.158 4.498 4.340 0.000 0.000 0.273 233 L C 0.254 177.119 176.870 -0.009 0.000 1.152 233 L CA -0.026 54.818 54.840 0.008 0.000 0.855 233 L CB 0.490 42.561 42.059 0.020 0.000 1.129 233 L HN -0.142 nan 8.230 nan 0.000 0.463 234 K N 2.751 123.146 120.400 -0.009 0.000 2.138 234 K HA 0.434 4.754 4.320 0.000 0.000 0.263 234 K C 0.239 176.817 176.600 -0.038 0.000 0.965 234 K CA -0.485 55.780 56.287 -0.036 0.000 0.868 234 K CB 1.681 34.165 32.500 -0.026 0.000 1.083 234 K HN 0.658 nan 8.250 nan 0.000 0.443 235 G N 0.515 109.265 108.800 -0.084 0.000 2.683 235 G HA2 0.289 4.249 3.960 0.000 0.000 0.260 235 G HA3 0.289 4.249 3.960 0.000 0.000 0.260 235 G C 0.271 175.129 174.900 -0.069 0.000 1.238 235 G CA -0.303 44.758 45.100 -0.065 0.000 0.934 235 G HN 0.515 nan 8.290 nan 0.000 0.534 236 G N -2.268 106.493 108.800 -0.066 0.000 2.664 236 G HA2 0.403 4.364 3.960 0.000 0.000 0.242 236 G HA3 0.403 4.364 3.960 0.000 0.000 0.242 236 G C -0.673 174.130 174.900 -0.161 0.000 1.225 236 G CA -0.150 44.892 45.100 -0.095 0.000 0.849 236 G HN 0.770 nan 8.290 nan 0.000 0.581 237 V N 1.727 121.484 119.914 -0.261 0.000 2.443 237 V HA 0.337 4.457 4.120 0.000 0.000 0.293 237 V C 0.019 175.748 176.094 -0.608 0.000 1.021 237 V CA -0.473 61.590 62.300 -0.394 0.000 0.848 237 V CB 1.305 32.910 31.823 -0.362 0.000 0.998 237 V HN 0.568 nan 8.190 nan 0.000 0.424 238 I N 3.745 124.045 120.570 -0.449 0.000 2.359 238 I HA 0.789 4.959 4.170 0.000 0.000 0.294 238 I C 0.728 176.588 176.117 -0.429 0.000 0.987 238 I CA -0.306 60.737 61.300 -0.429 0.000 1.225 238 I CB 1.776 39.584 38.000 -0.319 0.000 1.366 238 I HN 0.686 nan 8.210 nan 0.000 0.466 239 G N 2.615 111.169 108.800 -0.410 0.000 2.533 239 G HA2 0.801 4.761 3.960 0.000 0.000 0.304 239 G HA3 0.801 4.761 3.960 0.000 0.000 0.304 239 G C -0.348 174.379 174.900 -0.288 0.000 1.263 239 G CA -0.259 44.643 45.100 -0.331 0.000 0.964 239 G HN 0.940 nan 8.290 nan 0.000 0.479 240 G N -0.678 107.943 108.800 -0.298 0.000 2.492 240 G HA2 0.494 4.455 3.960 0.000 0.000 0.065 240 G HA3 0.494 4.455 3.960 0.000 0.000 0.065 240 G C -0.897 173.838 174.900 -0.275 0.000 0.956 240 G CA 0.522 45.458 45.100 -0.273 0.000 1.223 240 G HN 1.476 nan 8.290 nan 0.000 0.511 241 S N 0.236 115.797 115.700 -0.232 0.000 2.592 241 S HA 0.496 4.966 4.470 0.000 0.000 0.275 241 S C -0.858 173.669 174.600 -0.121 0.000 1.169 241 S CA -0.621 57.481 58.200 -0.164 0.000 0.958 241 S CB 1.571 64.683 63.200 -0.146 0.000 1.095 241 S HN 0.664 nan 8.310 nan 0.000 0.471 242 I N 3.299 123.851 120.570 -0.029 0.000 2.517 242 I HA 0.215 4.385 4.170 0.000 0.000 0.285 242 I C 1.162 177.275 176.117 -0.006 0.000 1.106 242 I CA 0.172 61.505 61.300 0.054 0.000 1.402 242 I CB 0.163 38.276 38.000 0.188 0.000 1.399 242 I HN 0.816 nan 8.210 nan 0.000 0.535 243 I N 5.443 125.976 120.570 -0.061 0.000 3.783 243 I HA 0.014 4.185 4.170 0.000 0.000 0.310 243 I C 0.320 176.401 176.117 -0.060 0.000 1.274 243 I CA 0.299 61.546 61.300 -0.089 0.000 1.294 243 I CB 0.259 38.156 38.000 -0.171 0.000 1.051 243 I HN 0.799 nan 8.210 nan 0.000 0.435 244 Q N -0.788 118.981 119.800 -0.050 0.000 2.503 244 Q HA 0.510 4.850 4.340 0.000 0.000 0.268 244 Q C -0.220 175.725 176.000 -0.093 0.000 0.982 244 Q CA -0.391 55.377 55.803 -0.059 0.000 0.907 244 Q CB 1.150 29.873 28.738 -0.026 0.000 1.467 244 Q HN 0.177 nan 8.270 nan 0.000 0.394 245 G N 1.336 110.065 108.800 -0.119 0.000 2.498 245 G HA2 -0.003 3.957 3.960 0.000 0.000 0.245 245 G HA3 -0.003 3.957 3.960 0.000 0.000 0.245 245 G C -0.757 174.039 174.900 -0.173 0.000 1.204 245 G CA 0.105 45.102 45.100 -0.172 0.000 0.933 245 G HN 1.904 nan 8.290 nan 0.000 0.574 246 L N -4.041 116.997 121.223 -0.308 0.000 2.789 246 L HA 0.770 5.110 4.340 0.000 0.000 0.254 246 L C -1.125 175.529 176.870 -0.359 0.000 0.952 246 L CA -1.391 53.338 54.840 -0.185 0.000 0.942 246 L CB 0.822 42.853 42.059 -0.046 0.000 1.502 246 L HN 0.875 nan 8.230 nan 0.000 0.425 247 F N 0.666 120.626 119.950 0.016 0.000 2.594 247 F HA 0.879 5.406 4.527 0.000 0.000 0.335 247 F C -0.018 175.806 175.800 0.041 0.000 1.058 247 F CA -0.536 57.475 58.000 0.018 0.000 0.981 247 F CB 1.979 40.980 39.000 0.001 0.000 1.289 247 F HN 0.687 nan 8.300 nan 0.000 0.490 248 K N -0.866 119.679 120.400 0.243 0.000 2.536 248 K HA 0.712 5.033 4.320 0.000 0.000 0.269 248 K C -1.393 175.293 176.600 0.142 0.000 0.965 248 K CA -1.001 55.384 56.287 0.164 0.000 0.860 248 K CB 1.698 34.265 32.500 0.111 0.000 1.423 248 K HN 0.333 nan 8.250 nan 0.000 0.438 249 V N 1.925 121.909 119.914 0.116 0.000 3.552 249 V HA -0.188 3.932 4.120 0.000 0.000 0.296 249 V C 0.495 176.654 176.094 0.108 0.000 1.193 249 V CA 1.183 63.543 62.300 0.100 0.000 1.314 249 V CB -0.306 31.568 31.823 0.084 0.000 1.053 249 V HN 1.081 nan 8.190 nan 0.000 0.507 250 D N -0.250 120.227 120.400 0.128 0.000 2.931 250 D HA -0.202 4.438 4.640 0.000 0.000 0.228 250 D C 0.647 177.017 176.300 0.118 0.000 1.180 250 D CA 1.258 55.341 54.000 0.138 0.000 0.784 250 D CB -0.308 40.551 40.800 0.098 0.000 1.093 250 D HN 0.776 nan 8.370 nan 0.000 0.421 251 Q N -0.401 119.477 119.800 0.130 0.000 2.189 251 Q HA 0.257 4.598 4.340 0.000 0.000 0.193 251 Q C 0.274 176.350 176.000 0.126 0.000 1.034 251 Q CA -0.256 55.622 55.803 0.124 0.000 1.062 251 Q CB 0.826 29.657 28.738 0.155 0.000 1.118 251 Q HN -0.020 nan 8.270 nan 0.000 0.569 252 E N 1.522 121.799 120.200 0.128 0.000 2.149 252 E HA 0.256 4.606 4.350 0.000 0.000 0.255 252 E C -0.960 175.734 176.600 0.156 0.000 0.888 252 E CA -0.260 56.221 56.400 0.135 0.000 0.742 252 E CB 0.633 30.405 29.700 0.121 0.000 1.164 252 E HN 0.347 nan 8.360 nan 0.000 0.422 253 I N -0.169 120.481 120.570 0.134 0.000 3.133 253 I HA 0.629 4.800 4.170 0.000 0.000 0.311 253 I C -0.407 175.709 176.117 -0.002 0.000 1.072 253 I CA -1.074 60.279 61.300 0.088 0.000 1.015 253 I CB 1.432 39.448 38.000 0.027 0.000 1.233 253 I HN 0.168 nan 8.210 nan 0.000 0.473 254 K N 0.957 121.294 120.400 -0.105 0.000 2.523 254 K HA 0.801 5.121 4.320 0.000 0.000 0.257 254 K C -2.047 174.413 176.600 -0.233 0.000 0.932 254 K CA -0.871 55.232 56.287 -0.307 0.000 0.812 254 K CB 2.199 34.381 32.500 -0.529 0.000 1.326 254 K HN 0.478 nan 8.250 nan 0.000 0.433 255 V N 3.778 123.546 119.914 -0.243 0.000 2.472 255 V HA 0.510 4.630 4.120 0.000 0.000 0.290 255 V C -0.361 175.634 176.094 -0.164 0.000 1.037 255 V CA -0.753 61.438 62.300 -0.181 0.000 0.908 255 V CB 0.970 32.700 31.823 -0.154 0.000 0.985 255 V HN 0.647 nan 8.190 nan 0.000 0.454 256 L N 4.514 125.657 121.223 -0.134 0.000 2.371 256 L HA 0.488 4.829 4.340 0.000 0.000 0.262 256 L C -2.019 174.774 176.870 -0.128 0.000 1.006 256 L CA -1.791 52.981 54.840 -0.113 0.000 0.818 256 L CB 2.278 44.283 42.059 -0.090 0.000 1.354 256 L HN 0.317 nan 8.230 nan 0.000 0.415 257 P HA -0.047 nan 4.420 nan 0.000 0.222 257 P C 0.734 178.033 177.300 -0.002 0.000 1.147 257 P CA 1.261 64.263 63.100 -0.163 0.000 0.790 257 P CB 0.292 31.711 31.700 -0.468 0.000 0.780 258 G N -1.147 107.659 108.800 0.010 0.000 2.464 258 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 258 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 258 G C -1.348 173.633 174.900 0.135 0.000 1.186 258 G CA -0.495 44.629 45.100 0.041 0.000 1.010 258 G HN 0.333 nan 8.290 nan 0.000 0.585 259 L N 1.720 122.995 121.223 0.086 0.000 2.290 259 L HA 0.673 5.013 4.340 0.000 0.000 0.284 259 L C 1.187 178.021 176.870 -0.060 0.000 1.078 259 L CA -0.316 54.546 54.840 0.038 0.000 0.815 259 L CB 1.068 43.135 42.059 0.013 0.000 1.162 259 L HN 0.771 nan 8.230 nan 0.000 0.435 260 R N 3.735 124.096 120.500 -0.232 0.000 2.543 260 R HA 0.501 4.842 4.340 0.000 0.000 0.277 260 R C -1.512 174.581 176.300 -0.345 0.000 1.074 260 R CA -0.244 55.419 56.100 -0.728 0.000 1.076 260 R CB 0.618 30.508 30.300 -0.683 0.000 0.993 260 R HN 0.542 nan 8.270 nan 0.000 0.459 261 V N 4.777 124.500 119.914 -0.317 0.000 2.555 261 V HA 0.105 4.225 4.120 0.000 0.000 0.283 261 V C -1.192 174.850 176.094 -0.088 0.000 1.020 261 V CA -0.669 61.550 62.300 -0.133 0.000 0.883 261 V CB 1.395 33.179 31.823 -0.065 0.000 1.030 261 V HN 0.931 nan 8.190 nan 0.000 0.448 262 E N 3.543 123.701 120.200 -0.069 0.000 2.969 262 E HA 0.486 4.836 4.350 0.000 0.000 0.213 262 E C -0.463 176.122 176.600 -0.026 0.000 1.107 262 E CA -0.724 55.653 56.400 -0.037 0.000 1.007 262 E CB 1.085 30.769 29.700 -0.027 0.000 1.326 262 E HN 0.196 nan 8.360 nan 0.000 0.432 263 K N 2.517 122.905 120.400 -0.021 0.000 2.394 263 K HA 0.180 4.501 4.320 0.000 0.000 0.260 263 K C -0.310 176.282 176.600 -0.013 0.000 0.967 263 K CA -0.487 55.791 56.287 -0.015 0.000 0.855 263 K CB 1.088 33.581 32.500 -0.013 0.000 1.101 263 K HN 0.552 nan 8.250 nan 0.000 0.433 264 Q N 0.184 119.976 119.800 -0.013 0.000 2.465 264 Q HA -0.205 4.135 4.340 0.000 0.000 0.248 264 Q C 0.447 176.437 176.000 -0.017 0.000 0.819 264 Q CA 1.309 57.104 55.803 -0.013 0.000 1.219 264 Q CB -1.542 27.190 28.738 -0.010 0.000 1.472 264 Q HN 0.936 nan 8.270 nan 0.000 0.630 265 G N -0.616 108.171 108.800 -0.022 0.000 2.818 265 G HA2 0.296 4.256 3.960 0.000 0.000 0.109 265 G HA3 0.296 4.256 3.960 0.000 0.000 0.109 265 G C -1.225 173.651 174.900 -0.041 0.000 1.206 265 G CA -0.661 44.421 45.100 -0.030 0.000 1.243 265 G HN -0.056 nan 8.290 nan 0.000 0.609 266 K N 0.259 120.625 120.400 -0.057 0.000 2.102 266 K HA 0.617 4.937 4.320 0.000 0.000 0.244 266 K C 0.125 176.689 176.600 -0.061 0.000 1.021 266 K CA -0.494 55.740 56.287 -0.088 0.000 0.913 266 K CB 2.081 34.496 32.500 -0.141 0.000 1.062 266 K HN 0.540 nan 8.250 nan 0.000 0.485 267 V N 0.249 120.126 119.914 -0.062 0.000 3.036 267 V HA 0.525 4.645 4.120 0.000 0.000 0.308 267 V C -0.503 175.655 176.094 0.107 0.000 1.070 267 V CA 0.039 62.349 62.300 0.017 0.000 1.056 267 V CB 1.379 33.260 31.823 0.096 0.000 1.084 267 V HN 1.033 nan 8.190 nan 0.000 0.471 268 S N 3.545 119.337 115.700 0.154 0.000 2.558 268 S HA 0.537 5.007 4.470 0.000 0.000 0.277 268 S C -1.670 173.019 174.600 0.149 0.000 1.143 268 S CA -0.685 57.710 58.200 0.326 0.000 0.865 268 S CB 0.947 64.262 63.200 0.192 0.000 1.102 268 S HN 0.654 nan 8.310 nan 0.000 0.454 269 Y N 1.964 122.389 120.300 0.208 0.000 2.369 269 Y HA 0.427 4.978 4.550 0.001 0.000 0.337 269 Y C 0.496 176.429 175.900 0.056 0.000 0.961 269 Y CA -0.558 57.587 58.100 0.074 0.000 1.186 269 Y CB 1.323 39.763 38.460 -0.033 0.000 1.139 269 Y HN 0.806 nan 8.280 nan 0.000 0.494 270 E N 4.633 124.919 120.200 0.143 0.000 2.133 270 E HA 0.472 4.822 4.350 0.000 0.000 0.274 270 E C -2.928 173.727 176.600 0.091 0.000 0.930 270 E CA -2.456 54.018 56.400 0.123 0.000 0.770 270 E CB 1.390 31.156 29.700 0.110 0.000 1.104 270 E HN 0.262 nan 8.360 nan 0.000 0.403 271 P HA -0.138 nan 4.420 nan 0.000 0.266 271 P C -0.673 176.546 177.300 -0.134 0.000 1.162 271 P CA 0.784 63.808 63.100 -0.127 0.000 0.758 271 P CB 0.336 31.866 31.700 -0.284 0.000 0.774 272 I N 3.735 124.180 120.570 -0.208 0.000 2.306 272 I HA 0.241 4.411 4.170 0.000 0.000 0.288 272 I C 0.131 176.117 176.117 -0.218 0.000 1.036 272 I CA -0.488 60.749 61.300 -0.105 0.000 1.221 272 I CB 0.093 38.054 38.000 -0.065 0.000 1.385 272 I HN 0.168 nan 8.210 nan 0.000 0.472 273 F N 4.437 124.393 119.950 0.011 0.000 2.396 273 F HA 0.519 5.046 4.527 0.000 0.000 0.343 273 F C 0.799 176.607 175.800 0.015 0.000 1.104 273 F CA 0.150 58.157 58.000 0.012 0.000 1.161 273 F CB 1.538 40.544 39.000 0.010 0.000 1.146 273 F HN 0.334 nan 8.300 nan 0.000 0.522 274 T N 2.344 116.997 114.554 0.166 0.000 2.749 274 T HA 0.263 4.613 4.350 0.000 0.000 0.310 274 T C -1.469 173.320 174.700 0.148 0.000 1.496 274 T CA -1.009 61.175 62.100 0.140 0.000 1.006 274 T CB 1.944 70.874 68.868 0.104 0.000 1.457 274 T HN 0.552 nan 8.240 nan 0.000 0.497 275 K N 1.608 122.134 120.400 0.209 0.000 2.156 275 K HA 0.642 4.962 4.320 0.000 0.000 0.254 275 K C -0.448 176.343 176.600 0.318 0.000 0.950 275 K CA -0.712 55.719 56.287 0.240 0.000 0.849 275 K CB 0.839 33.418 32.500 0.133 0.000 1.100 275 K HN 0.517 nan 8.250 nan 0.000 0.434 276 I N 3.330 124.015 120.570 0.191 0.000 2.533 276 I HA -0.083 4.087 4.170 0.000 0.000 0.284 276 I C 1.357 177.513 176.117 0.066 0.000 1.109 276 I CA 0.204 61.552 61.300 0.080 0.000 1.412 276 I CB 1.412 39.446 38.000 0.057 0.000 1.396 276 I HN 0.812 nan 8.210 nan 0.000 0.543 277 S N 4.380 119.982 115.700 -0.163 0.000 2.470 277 S HA 0.096 4.566 4.470 0.000 0.000 0.222 277 S C 0.494 174.999 174.600 -0.157 0.000 1.024 277 S CA 0.576 58.559 58.200 -0.362 0.000 0.931 277 S CB 0.196 62.959 63.200 -0.727 0.000 0.791 277 S HN 0.821 nan 8.310 nan 0.000 0.513 278 S N -0.599 115.041 115.700 -0.100 0.000 2.645 278 S HA 0.584 5.054 4.470 0.000 0.000 0.268 278 S C -1.434 173.152 174.600 -0.025 0.000 1.110 278 S CA -1.128 57.050 58.200 -0.036 0.000 0.823 278 S CB 0.460 63.636 63.200 -0.041 0.000 1.091 278 S HN 0.280 nan 8.310 nan 0.000 0.466 279 I N 0.504 121.095 120.570 0.034 0.000 2.730 279 I HA 0.665 4.835 4.170 0.000 0.000 0.298 279 I C -0.450 175.702 176.117 0.058 0.000 1.089 279 I CA -0.688 60.633 61.300 0.033 0.000 1.041 279 I CB 2.372 40.452 38.000 0.134 0.000 1.235 279 I HN 0.655 nan 8.210 nan 0.000 0.423 280 R N 4.177 124.629 120.500 -0.080 0.000 2.561 280 R HA 0.479 4.819 4.340 0.000 0.000 0.266 280 R C -2.014 174.103 176.300 -0.306 0.000 1.091 280 R CA -0.646 55.413 56.100 -0.068 0.000 0.927 280 R CB 2.465 32.750 30.300 -0.024 0.000 1.240 280 R HN 0.376 nan 8.270 nan 0.000 0.449 281 F N 1.871 121.691 119.950 -0.217 0.000 2.513 281 F HA 0.425 4.952 4.527 0.001 0.000 0.358 281 F C 0.985 176.748 175.800 -0.061 0.000 1.118 281 F CA 0.339 58.227 58.000 -0.186 0.000 1.037 281 F CB 1.873 40.646 39.000 -0.380 0.000 1.276 281 F HN 0.868 nan 8.300 nan 0.000 0.446 282 G N 3.421 112.295 108.800 0.122 0.000 2.527 282 G HA2 -0.337 3.623 3.960 0.000 0.000 0.268 282 G HA3 -0.337 3.623 3.960 0.000 0.000 0.268 282 G C 0.185 175.141 174.900 0.094 0.000 1.175 282 G CA 0.310 45.485 45.100 0.125 0.000 0.962 282 G HN 0.521 nan 8.290 nan 0.000 0.560 283 D N 1.528 121.990 120.400 0.103 0.000 2.336 283 D HA 0.455 5.096 4.640 0.000 0.000 0.228 283 D C 0.371 176.750 176.300 0.132 0.000 1.120 283 D CA 0.561 54.619 54.000 0.097 0.000 0.839 283 D CB 0.573 41.422 40.800 0.082 0.000 0.932 283 D HN 0.358 nan 8.370 nan 0.000 0.509 284 E N 1.032 121.341 120.200 0.182 0.000 2.191 284 E HA 0.187 4.537 4.350 0.000 0.000 0.263 284 E C -0.823 176.006 176.600 0.381 0.000 0.881 284 E CA -0.614 55.961 56.400 0.292 0.000 0.757 284 E CB 0.798 30.753 29.700 0.425 0.000 1.147 284 E HN -0.003 nan 8.360 nan 0.000 0.414 285 E N 3.566 123.976 120.200 0.350 0.000 2.283 285 E HA 0.285 4.635 4.350 0.000 0.000 0.278 285 E C -0.438 176.515 176.600 0.588 0.000 1.027 285 E CA -0.269 56.347 56.400 0.360 0.000 0.843 285 E CB 0.863 30.672 29.700 0.183 0.000 1.062 285 E HN 0.319 nan 8.360 nan 0.000 0.401 286 F N 0.642 120.658 119.950 0.111 0.000 2.697 286 F HA 0.360 4.887 4.527 0.000 0.000 0.386 286 F C 1.183 177.031 175.800 0.080 0.000 1.154 286 F CA -1.071 56.990 58.000 0.103 0.000 1.108 286 F CB 0.886 39.981 39.000 0.158 0.000 1.429 286 F HN 0.233 nan 8.300 nan 0.000 0.509 287 K N -0.262 120.280 120.400 0.236 0.000 2.501 287 K HA 0.222 4.542 4.320 0.000 0.000 0.204 287 K C -1.234 175.460 176.600 0.157 0.000 1.067 287 K CA 0.001 56.374 56.287 0.143 0.000 1.060 287 K CB 1.045 33.583 32.500 0.063 0.000 0.873 287 K HN 0.673 nan 8.250 nan 0.000 0.540 288 E N -0.341 119.997 120.200 0.231 0.000 2.649 288 E HA 0.442 4.793 4.350 0.000 0.000 0.308 288 E C -1.732 175.039 176.600 0.285 0.000 1.017 288 E CA -0.976 55.552 56.400 0.213 0.000 0.848 288 E CB 0.968 30.753 29.700 0.141 0.000 1.240 288 E HN 0.023 nan 8.360 nan 0.000 0.421 289 A N 3.235 126.230 122.820 0.292 0.000 2.330 289 A HA 0.763 5.084 4.320 0.000 0.000 0.327 289 A C -0.737 177.009 177.584 0.270 0.000 1.155 289 A CA -0.783 51.473 52.037 0.365 0.000 0.803 289 A CB 0.907 20.147 19.000 0.401 0.000 1.208 289 A HN 0.587 nan 8.150 nan 0.000 0.477 290 K N 1.783 122.290 120.400 0.179 0.000 2.443 290 K HA 0.664 4.984 4.320 0.000 0.000 0.251 290 K C -3.144 173.499 176.600 0.071 0.000 0.972 290 K CA -2.304 54.038 56.287 0.093 0.000 0.833 290 K CB 1.027 33.537 32.500 0.016 0.000 1.317 290 K HN 0.239 nan 8.250 nan 0.000 0.441 291 P HA -0.109 nan 4.420 nan 0.000 0.266 291 P C -0.183 177.116 177.300 -0.002 0.000 1.162 291 P CA 1.690 64.797 63.100 0.012 0.000 0.758 291 P CB 0.093 31.773 31.700 -0.034 0.000 0.774 292 G N 1.118 109.930 108.800 0.020 0.000 3.055 292 G HA2 0.461 4.422 3.960 0.000 0.000 0.654 292 G HA3 0.461 4.422 3.960 0.000 0.000 0.654 292 G C -0.103 174.858 174.900 0.101 0.000 1.134 292 G CA -0.080 45.027 45.100 0.012 0.000 1.049 292 G HN 0.988 nan 8.290 nan 0.000 0.458 293 G N -0.304 108.599 108.800 0.172 0.000 2.617 293 G HA2 0.332 4.292 3.960 0.000 0.000 0.686 293 G HA3 0.332 4.292 3.960 0.000 0.000 0.686 293 G C -0.559 174.432 174.900 0.152 0.000 1.214 293 G CA -0.322 44.983 45.100 0.342 0.000 0.796 293 G HN 1.634 nan 8.290 nan 0.000 0.654 294 L N 1.028 122.119 121.223 -0.220 0.000 2.360 294 L HA 0.536 4.877 4.340 0.000 0.000 0.276 294 L C 1.031 177.572 176.870 -0.548 0.000 1.121 294 L CA -0.161 54.365 54.840 -0.522 0.000 0.845 294 L CB 1.248 42.705 42.059 -1.004 0.000 1.143 294 L HN 0.628 nan 8.230 nan 0.000 0.452 295 V N 2.001 121.552 119.914 -0.604 0.000 2.966 295 V HA 0.848 4.968 4.120 0.000 0.000 0.317 295 V C 0.218 176.006 176.094 -0.510 0.000 1.070 295 V CA -0.928 60.864 62.300 -0.847 0.000 1.008 295 V CB 1.474 32.882 31.823 -0.692 0.000 1.070 295 V HN 0.820 nan 8.190 nan 0.000 0.457 296 A N 2.756 125.299 122.820 -0.460 0.000 2.646 296 A HA 0.661 4.982 4.320 0.000 0.000 0.312 296 A C -0.741 176.687 177.584 -0.259 0.000 1.245 296 A CA -0.354 51.521 52.037 -0.270 0.000 0.755 296 A CB 0.107 19.034 19.000 -0.123 0.000 1.132 296 A HN 0.547 nan 8.150 nan 0.000 0.458 297 I N 2.923 123.319 120.570 -0.290 0.000 2.294 297 I HA 0.204 4.374 4.170 0.000 0.000 0.295 297 I C 1.141 177.123 176.117 -0.226 0.000 1.098 297 I CA -0.141 61.008 61.300 -0.253 0.000 1.277 297 I CB 0.218 38.035 38.000 -0.305 0.000 1.434 297 I HN 0.618 nan 8.210 nan 0.000 0.498 298 G N 5.122 113.815 108.800 -0.178 0.000 2.361 298 G HA2 0.386 4.346 3.960 0.000 0.000 0.260 298 G HA3 0.386 4.346 3.960 0.000 0.000 0.260 298 G C 0.553 175.324 174.900 -0.215 0.000 1.261 298 G CA -0.095 44.898 45.100 -0.179 0.000 0.897 298 G HN 0.657 nan 8.290 nan 0.000 0.499 299 T N -0.133 114.295 114.554 -0.210 0.000 2.855 299 T HA 0.409 4.759 4.350 0.000 0.000 0.275 299 T C 0.694 175.237 174.700 -0.261 0.000 1.022 299 T CA -0.451 61.540 62.100 -0.181 0.000 0.977 299 T CB 0.988 69.800 68.868 -0.093 0.000 1.559 299 T HN 0.331 nan 8.240 nan 0.000 0.600 300 Y N -0.218 120.062 120.300 -0.033 0.000 2.483 300 Y HA 0.348 4.899 4.550 0.000 0.000 0.258 300 Y C 0.751 176.642 175.900 -0.016 0.000 1.083 300 Y CA -0.739 57.350 58.100 -0.019 0.000 1.283 300 Y CB -0.030 38.426 38.460 -0.006 0.000 1.178 300 Y HN 0.459 nan 8.280 nan 0.000 0.515 301 L N -0.560 120.732 121.223 0.115 0.000 2.479 301 L HA 0.137 4.478 4.340 0.000 0.000 0.270 301 L C 0.189 177.081 176.870 0.036 0.000 1.236 301 L CA -0.999 53.881 54.840 0.067 0.000 0.823 301 L CB -0.090 41.991 42.059 0.036 0.000 1.098 301 L HN -0.006 nan 8.230 nan 0.000 0.500 302 D N 1.075 121.495 120.400 0.034 0.000 2.520 302 D HA 0.036 4.677 4.640 0.000 0.000 0.243 302 D C -1.670 174.636 176.300 0.010 0.000 1.160 302 D CA -1.150 52.865 54.000 0.025 0.000 0.877 302 D CB 0.812 41.627 40.800 0.025 0.000 1.150 302 D HN 0.419 nan 8.370 nan 0.000 0.494 303 P HA -0.167 nan 4.420 nan 0.000 0.219 303 P C 1.112 178.414 177.300 0.004 0.000 1.144 303 P CA 1.026 64.129 63.100 0.005 0.000 0.806 303 P CB 0.208 31.920 31.700 0.019 0.000 0.771 304 S N -0.783 114.922 115.700 0.009 0.000 2.368 304 S HA -0.133 4.338 4.470 0.000 0.000 0.225 304 S C 1.774 176.373 174.600 -0.002 0.000 1.030 304 S CA 1.108 59.313 58.200 0.008 0.000 0.999 304 S CB -1.050 62.157 63.200 0.012 0.000 0.844 304 S HN 0.188 nan 8.310 nan 0.000 0.459 305 L N 1.169 122.387 121.223 -0.008 0.000 2.131 305 L HA -0.119 4.221 4.340 0.000 0.000 0.210 305 L C 2.755 179.601 176.870 -0.040 0.000 1.092 305 L CA 1.582 56.410 54.840 -0.020 0.000 0.759 305 L CB -0.880 41.167 42.059 -0.020 0.000 0.903 305 L HN 0.508 nan 8.230 nan 0.000 0.435 306 T N -3.577 110.945 114.554 -0.053 0.000 3.015 306 T HA 0.005 4.355 4.350 0.000 0.000 0.250 306 T C 1.649 176.314 174.700 -0.057 0.000 1.057 306 T CA 0.247 62.292 62.100 -0.091 0.000 1.066 306 T CB 0.043 68.818 68.868 -0.155 0.000 0.959 306 T HN 0.176 nan 8.240 nan 0.000 0.488 307 K N 2.903 123.296 120.400 -0.011 0.000 2.366 307 K HA 0.064 4.384 4.320 0.000 0.000 0.202 307 K C 1.441 178.068 176.600 0.044 0.000 1.045 307 K CA 1.571 57.878 56.287 0.032 0.000 0.934 307 K CB -0.765 31.754 32.500 0.033 0.000 0.746 307 K HN 0.445 nan 8.250 nan 0.000 0.470 308 A N 0.600 123.432 122.820 0.020 0.000 2.701 308 A HA 0.333 4.653 4.320 0.000 0.000 0.297 308 A C -0.444 177.150 177.584 0.017 0.000 1.197 308 A CA 0.039 52.092 52.037 0.025 0.000 0.963 308 A CB -0.178 18.831 19.000 0.015 0.000 1.175 308 A HN 0.318 nan 8.150 nan 0.000 0.531 309 D N -0.843 119.565 120.400 0.013 0.000 2.945 309 D HA -0.205 4.435 4.640 0.000 0.000 0.225 309 D C 0.984 177.262 176.300 -0.036 0.000 1.158 309 D CA 1.230 55.224 54.000 -0.011 0.000 0.805 309 D CB -1.154 39.651 40.800 0.009 0.000 1.098 309 D HN 0.547 nan 8.370 nan 0.000 0.426 310 N N 0.157 118.833 118.700 -0.040 0.000 2.000 310 N HA -0.124 4.616 4.740 0.000 0.000 0.198 310 N C 1.598 177.074 175.510 -0.057 0.000 1.057 310 N CA 1.669 54.696 53.050 -0.039 0.000 0.858 310 N CB -0.373 38.093 38.487 -0.035 0.000 1.057 310 N HN 0.478 nan 8.380 nan 0.000 0.423 311 L N 0.794 121.965 121.223 -0.086 0.000 2.749 311 L HA 0.025 4.365 4.340 0.000 0.000 0.245 311 L C 0.531 177.329 176.870 -0.121 0.000 1.156 311 L CA -0.470 54.306 54.840 -0.106 0.000 0.890 311 L CB -0.883 41.096 42.059 -0.134 0.000 1.036 311 L HN 0.283 nan 8.230 nan 0.000 0.441 312 L N 0.648 121.808 121.223 -0.105 0.000 2.483 312 L HA 0.363 4.703 4.340 0.000 0.000 0.276 312 L C 1.167 177.972 176.870 -0.107 0.000 1.213 312 L CA 0.962 55.737 54.840 -0.108 0.000 0.843 312 L CB 0.370 42.379 42.059 -0.083 0.000 1.107 312 L HN 0.293 nan 8.230 nan 0.000 0.487 313 G N 2.158 110.888 108.800 -0.117 0.000 2.159 313 G HA2 -0.245 3.716 3.960 0.000 0.000 0.256 313 G HA3 -0.245 3.716 3.960 0.000 0.000 0.256 313 G C 0.330 175.153 174.900 -0.128 0.000 0.977 313 G CA 0.365 45.395 45.100 -0.116 0.000 0.652 313 G HN 0.978 nan 8.290 nan 0.000 0.531 314 S N -0.415 115.200 115.700 -0.141 0.000 2.768 314 S HA 0.875 5.345 4.470 0.000 0.000 0.300 314 S C 0.121 174.618 174.600 -0.172 0.000 1.122 314 S CA -0.145 57.967 58.200 -0.147 0.000 0.995 314 S CB 1.875 64.989 63.200 -0.143 0.000 1.195 314 S HN 1.315 nan 8.310 nan 0.000 0.547 315 I N -1.616 118.852 120.570 -0.170 0.000 2.802 315 I HA 0.642 4.813 4.170 0.000 0.000 0.298 315 I C -1.752 174.257 176.117 -0.180 0.000 1.176 315 I CA -1.083 60.095 61.300 -0.203 0.000 1.025 315 I CB 1.503 39.383 38.000 -0.198 0.000 1.243 315 I HN 0.512 nan 8.210 nan 0.000 0.424 316 I N 3.808 124.254 120.570 -0.206 0.000 2.441 316 I HA 0.570 4.741 4.170 0.000 0.000 0.295 316 I C -0.077 176.012 176.117 -0.046 0.000 0.994 316 I CA -0.359 60.822 61.300 -0.199 0.000 1.144 316 I CB 2.181 39.966 38.000 -0.359 0.000 1.314 316 I HN 0.688 nan 8.210 nan 0.000 0.445 317 T N 5.250 119.825 114.554 0.036 0.000 2.838 317 T HA 0.497 4.847 4.350 0.000 0.000 0.292 317 T C -0.454 174.374 174.700 0.213 0.000 1.113 317 T CA -0.658 61.548 62.100 0.178 0.000 1.008 317 T CB 1.691 70.602 68.868 0.071 0.000 1.259 317 T HN 0.251 nan 8.240 nan 0.000 0.520 318 L N 2.177 123.516 121.223 0.192 0.000 2.410 318 L HA 0.254 4.594 4.340 0.000 0.000 0.273 318 L C 1.903 178.848 176.870 0.125 0.000 1.152 318 L CA -0.336 54.596 54.840 0.153 0.000 0.855 318 L CB 0.723 42.826 42.059 0.074 0.000 1.129 318 L HN 0.977 nan 8.230 nan 0.000 0.463 319 A N 2.963 125.875 122.820 0.154 0.000 1.954 319 A HA -0.243 4.078 4.320 0.000 0.000 0.222 319 A C 1.159 178.897 177.584 0.258 0.000 1.199 319 A CA 1.856 54.041 52.037 0.248 0.000 0.657 319 A CB -0.374 18.826 19.000 0.333 0.000 0.823 319 A HN 0.843 nan 8.150 nan 0.000 0.463 320 D N -0.261 120.237 120.400 0.163 0.000 2.494 320 D HA 0.563 5.203 4.640 0.000 0.000 0.217 320 D C -0.293 176.060 176.300 0.089 0.000 1.153 320 D CA 0.776 54.848 54.000 0.119 0.000 0.954 320 D CB 0.034 40.882 40.800 0.081 0.000 1.034 320 D HN 0.449 nan 8.370 nan 0.000 0.518 321 A N 2.973 125.848 122.820 0.093 0.000 2.568 321 A HA 0.601 4.921 4.320 0.000 0.000 0.291 321 A C -1.149 176.475 177.584 0.067 0.000 1.159 321 A CA -0.782 51.296 52.037 0.069 0.000 0.679 321 A CB 1.434 20.475 19.000 0.068 0.000 1.285 321 A HN 0.293 nan 8.150 nan 0.000 0.428 322 E N 0.079 120.313 120.200 0.057 0.000 2.149 322 E HA 0.566 4.916 4.350 0.000 0.000 0.255 322 E C -1.785 174.847 176.600 0.054 0.000 0.888 322 E CA -0.247 56.183 56.400 0.050 0.000 0.742 322 E CB 1.149 30.871 29.700 0.037 0.000 1.164 322 E HN 0.601 nan 8.360 nan 0.000 0.422 323 V N 6.103 126.049 119.914 0.054 0.000 2.555 323 V HA 0.362 4.482 4.120 0.000 0.000 0.283 323 V C -2.310 173.805 176.094 0.035 0.000 1.020 323 V CA -1.626 60.708 62.300 0.057 0.000 0.883 323 V CB 1.403 33.275 31.823 0.082 0.000 1.030 323 V HN 0.681 nan 8.190 nan 0.000 0.448 324 P HA 0.196 nan 4.420 nan 0.000 0.267 324 P C -0.423 176.870 177.300 -0.011 0.000 1.209 324 P CA 0.093 63.199 63.100 0.010 0.000 0.763 324 P CB 0.857 32.556 31.700 -0.001 0.000 0.816 325 V N 5.751 125.656 119.914 -0.015 0.000 2.288 325 V HA 0.217 4.337 4.120 0.000 0.000 0.266 325 V C 0.363 176.404 176.094 -0.087 0.000 1.048 325 V CA -0.251 62.001 62.300 -0.081 0.000 0.842 325 V CB -0.068 31.705 31.823 -0.082 0.000 1.064 325 V HN 0.378 nan 8.190 nan 0.000 0.472 326 L N 2.467 123.625 121.223 -0.108 0.000 2.358 326 L HA 0.494 4.834 4.340 0.000 0.000 0.268 326 L C 0.420 177.216 176.870 -0.123 0.000 1.032 326 L CA -0.428 54.392 54.840 -0.034 0.000 0.805 326 L CB 1.609 43.670 42.059 0.003 0.000 1.253 326 L HN 0.535 nan 8.230 nan 0.000 0.452 327 W N -1.264 120.027 121.300 -0.014 0.000 2.777 327 W HA 0.184 4.844 4.660 0.000 0.000 0.260 327 W C 0.676 177.185 176.519 -0.017 0.000 1.194 327 W CA -0.096 57.241 57.345 -0.014 0.000 1.447 327 W CB 0.434 29.899 29.460 0.007 0.000 1.009 327 W HN 0.359 nan 8.180 nan 0.000 0.613 328 N N 1.559 120.392 118.700 0.223 0.000 2.399 328 N HA 0.500 5.241 4.740 0.000 0.000 0.295 328 N C -0.811 174.735 175.510 0.059 0.000 1.048 328 N CA -0.336 52.783 53.050 0.116 0.000 0.886 328 N CB 1.983 40.527 38.487 0.096 0.000 1.185 328 N HN -0.094 nan 8.380 nan 0.000 0.487 329 I N -1.817 118.769 120.570 0.027 0.000 2.722 329 I HA 0.530 4.701 4.170 0.000 0.000 0.295 329 I C -0.612 175.504 176.117 -0.003 0.000 1.161 329 I CA -1.007 60.294 61.300 0.001 0.000 1.032 329 I CB 2.713 40.699 38.000 -0.022 0.000 1.244 329 I HN 0.191 nan 8.210 nan 0.000 0.421 330 R N 5.139 125.633 120.500 -0.009 0.000 2.428 330 R HA 0.799 5.139 4.340 0.000 0.000 0.294 330 R C -1.473 174.822 176.300 -0.009 0.000 1.000 330 R CA -0.630 55.467 56.100 -0.004 0.000 0.960 330 R CB 1.374 31.670 30.300 -0.006 0.000 1.076 330 R HN 0.810 nan 8.270 nan 0.000 0.475 331 I N 3.695 124.273 120.570 0.013 0.000 2.586 331 I HA 0.182 4.353 4.170 0.000 0.000 0.288 331 I C -0.388 175.767 176.117 0.064 0.000 1.147 331 I CA -0.627 60.686 61.300 0.020 0.000 1.047 331 I CB 2.345 40.362 38.000 0.028 0.000 1.244 331 I HN 0.477 nan 8.210 nan 0.000 0.429 332 K N 6.585 126.973 120.400 -0.020 0.000 2.751 332 K HA 0.163 4.484 4.320 0.000 0.000 0.252 332 K C -0.348 176.120 176.600 -0.220 0.000 1.277 332 K CA -0.365 55.864 56.287 -0.097 0.000 1.226 332 K CB -0.290 32.128 32.500 -0.138 0.000 1.658 332 K HN 0.470 nan 8.250 nan 0.000 0.303 333 Y N -0.230 119.947 120.300 -0.204 0.000 2.511 333 Y HA 0.069 4.620 4.550 0.000 0.000 0.347 333 Y C -0.228 175.472 175.900 -0.332 0.000 1.257 333 Y CA -0.543 57.396 58.100 -0.268 0.000 1.469 333 Y CB 0.525 38.896 38.460 -0.148 0.000 1.353 333 Y HN 0.159 nan 8.280 nan 0.000 0.617 334 N N 3.630 121.994 118.700 -0.560 0.000 2.430 334 N HA 0.339 5.079 4.740 0.000 0.000 0.290 334 N C -1.261 174.178 175.510 -0.118 0.000 1.063 334 N CA -0.608 52.130 53.050 -0.520 0.000 0.883 334 N CB 2.133 40.207 38.487 -0.689 0.000 1.465 334 N HN 0.667 nan 8.380 nan 0.000 0.493 335 L N 1.409 122.658 121.223 0.042 0.000 2.456 335 L HA 0.454 4.794 4.340 0.000 0.000 0.257 335 L C 0.753 177.717 176.870 0.157 0.000 1.162 335 L CA -0.644 54.301 54.840 0.176 0.000 0.808 335 L CB 0.661 42.840 42.059 0.199 0.000 1.136 335 L HN 0.241 nan 8.230 nan 0.000 0.466 336 L N 0.271 121.599 121.223 0.175 0.000 2.569 336 L HA 0.205 4.545 4.340 0.000 0.000 0.247 336 L C 1.136 178.076 176.870 0.117 0.000 1.135 336 L CA -0.498 54.441 54.840 0.164 0.000 0.812 336 L CB 0.725 42.887 42.059 0.172 0.000 1.431 336 L HN 0.603 nan 8.230 nan 0.000 0.499 337 E N 0.058 120.321 120.200 0.105 0.000 2.005 337 E HA -0.038 4.313 4.350 0.000 0.000 0.191 337 E C 0.002 176.643 176.600 0.069 0.000 0.987 337 E CA 0.890 57.336 56.400 0.077 0.000 0.814 337 E CB 0.091 29.831 29.700 0.067 0.000 0.772 337 E HN 0.373 nan 8.360 nan 0.000 0.453 338 R N 0.120 120.664 120.500 0.072 0.000 3.018 338 R HA 0.453 4.793 4.340 0.000 0.000 0.243 338 R C -0.450 175.896 176.300 0.076 0.000 1.315 338 R CA -0.766 55.372 56.100 0.063 0.000 1.039 338 R CB 0.173 30.503 30.300 0.049 0.000 1.315 338 R HN 0.039 nan 8.270 nan 0.000 0.492 339 V N 0.234 120.188 119.914 0.067 0.000 2.222 339 V HA 0.217 4.338 4.120 0.000 0.000 0.253 339 V C 0.995 177.133 176.094 0.073 0.000 1.210 339 V CA -1.050 61.294 62.300 0.074 0.000 1.079 339 V CB -0.277 31.584 31.823 0.063 0.000 1.265 339 V HN 0.499 nan 8.190 nan 0.000 0.494 340 V N 2.478 122.445 119.914 0.089 0.000 2.788 340 V HA 0.669 4.790 4.120 0.000 0.000 0.307 340 V C 1.356 177.500 176.094 0.084 0.000 1.069 340 V CA 0.850 63.205 62.300 0.091 0.000 1.173 340 V CB 0.290 32.189 31.823 0.126 0.000 0.925 340 V HN 1.944 nan 8.190 nan 0.000 0.492 341 G N 1.799 110.639 108.800 0.066 0.000 2.175 341 G HA2 0.006 3.966 3.960 0.000 0.000 0.244 341 G HA3 0.006 3.966 3.960 0.000 0.000 0.244 341 G C 0.418 175.350 174.900 0.054 0.000 0.982 341 G CA 0.383 45.518 45.100 0.058 0.000 0.641 341 G HN 1.912 nan 8.290 nan 0.000 0.527 342 A N -0.700 122.148 122.820 0.047 0.000 3.623 342 A HA 0.931 5.251 4.320 0.000 0.000 0.157 342 A C 1.283 178.885 177.584 0.029 0.000 1.850 342 A CA 1.243 53.304 52.037 0.040 0.000 1.186 342 A CB 0.386 19.409 19.000 0.037 0.000 1.824 342 A HN 0.431 nan 8.150 nan 0.000 0.710 343 K N -1.730 118.683 120.400 0.021 0.000 2.826 343 K HA 0.132 4.453 4.320 0.000 0.000 0.187 343 K C -0.407 176.197 176.600 0.008 0.000 1.662 343 K CA 0.177 56.470 56.287 0.010 0.000 1.307 343 K CB 0.593 33.100 32.500 0.013 0.000 1.792 343 K HN 0.547 nan 8.250 nan 0.000 0.618 344 E N 3.100 123.307 120.200 0.012 0.000 1.856 344 E HA 0.099 4.450 4.350 0.000 0.000 0.263 344 E C -0.505 176.104 176.600 0.014 0.000 1.137 344 E CA -0.250 56.156 56.400 0.010 0.000 1.007 344 E CB 0.417 30.122 29.700 0.009 0.000 1.117 344 E HN 0.104 nan 8.360 nan 0.000 0.438 345 M N 4.719 124.327 119.600 0.013 0.000 3.026 345 M HA -0.041 4.439 4.480 0.000 0.000 0.349 345 M C -1.532 174.780 176.300 0.019 0.000 1.803 345 M CA 0.767 56.078 55.300 0.017 0.000 1.404 345 M CB -0.547 32.061 32.600 0.013 0.000 1.993 345 M HN 0.327 nan 8.290 nan 0.000 0.469 346 L N 5.789 127.027 121.223 0.024 0.000 2.386 346 L HA 0.486 4.827 4.340 0.000 0.000 0.271 346 L C -0.343 176.546 176.870 0.031 0.000 0.993 346 L CA -0.466 54.389 54.840 0.023 0.000 0.819 346 L CB 1.806 43.876 42.059 0.019 0.000 1.294 346 L HN 0.574 nan 8.230 nan 0.000 0.414 347 K N 1.825 122.243 120.400 0.031 0.000 2.508 347 K HA 0.128 4.448 4.320 0.000 0.000 0.273 347 K C -0.836 175.789 176.600 0.043 0.000 0.964 347 K CA -0.012 56.297 56.287 0.037 0.000 0.948 347 K CB 0.409 32.928 32.500 0.033 0.000 0.917 347 K HN 0.411 nan 8.250 nan 0.000 0.512 348 V N 4.234 124.180 119.914 0.054 0.000 2.368 348 V HA 0.003 4.123 4.120 0.000 0.000 0.266 348 V C -0.041 176.086 176.094 0.055 0.000 1.045 348 V CA -0.412 61.925 62.300 0.061 0.000 0.899 348 V CB 0.881 32.753 31.823 0.083 0.000 1.006 348 V HN 0.663 nan 8.190 nan 0.000 0.470 349 D N 6.568 126.995 120.400 0.044 0.000 2.372 349 D HA 0.222 4.862 4.640 0.000 0.000 0.243 349 D C -2.170 174.156 176.300 0.043 0.000 1.121 349 D CA -1.028 52.994 54.000 0.037 0.000 0.898 349 D CB 0.803 41.618 40.800 0.025 0.000 1.202 349 D HN 0.316 nan 8.370 nan 0.000 0.428 350 P HA 0.020 nan 4.420 nan 0.000 0.265 350 P C 0.087 177.398 177.300 0.019 0.000 1.187 350 P CA 0.070 63.200 63.100 0.050 0.000 0.766 350 P CB 0.500 32.228 31.700 0.047 0.000 0.820 351 I N 3.885 124.449 120.570 -0.011 0.000 2.576 351 I HA -0.019 4.152 4.170 0.000 0.000 0.288 351 I C 1.390 177.475 176.117 -0.054 0.000 1.126 351 I CA 0.108 61.356 61.300 -0.086 0.000 1.362 351 I CB -0.158 37.674 38.000 -0.281 0.000 1.419 351 I HN 0.314 nan 8.210 nan 0.000 0.533 352 R N 5.886 126.367 120.500 -0.031 0.000 2.500 352 R HA 0.716 5.056 4.340 0.000 0.000 0.275 352 R C -0.003 176.282 176.300 -0.025 0.000 1.051 352 R CA -0.812 55.278 56.100 -0.017 0.000 1.088 352 R CB 0.699 30.995 30.300 -0.006 0.000 1.063 352 R HN 0.512 nan 8.270 nan 0.000 0.511 353 A N 1.507 124.318 122.820 -0.016 0.000 2.366 353 A HA 0.131 4.451 4.320 0.000 0.000 0.250 353 A C 0.373 177.951 177.584 -0.009 0.000 1.099 353 A CA 0.038 52.065 52.037 -0.016 0.000 0.794 353 A CB -0.050 18.945 19.000 -0.008 0.000 1.056 353 A HN 0.976 nan 8.150 nan 0.000 0.499 354 K N -1.263 119.134 120.400 -0.006 0.000 3.510 354 K HA -0.245 4.075 4.320 0.000 0.000 0.312 354 K C 0.528 177.132 176.600 0.007 0.000 1.271 354 K CA 1.850 58.138 56.287 0.002 0.000 1.002 354 K CB -1.066 31.436 32.500 0.003 0.000 1.262 354 K HN 0.923 nan 8.250 nan 0.000 0.424 355 E N 1.253 121.454 120.200 0.002 0.000 2.404 355 E HA 0.045 4.395 4.350 0.000 0.000 0.261 355 E C -0.615 176.003 176.600 0.029 0.000 1.074 355 E CA 0.261 56.667 56.400 0.011 0.000 0.917 355 E CB 0.721 30.422 29.700 0.001 0.000 0.965 355 E HN 0.046 nan 8.360 nan 0.000 0.433 356 T N 3.620 118.208 114.554 0.058 0.000 2.867 356 T HA 0.525 4.876 4.350 0.000 0.000 0.282 356 T C -0.490 174.308 174.700 0.162 0.000 1.000 356 T CA -0.479 61.682 62.100 0.102 0.000 1.042 356 T CB 0.470 69.418 68.868 0.135 0.000 0.973 356 T HN 0.344 nan 8.240 nan 0.000 0.465 357 L N 2.224 123.533 121.223 0.142 0.000 2.415 357 L HA 0.616 4.956 4.340 0.000 0.000 0.256 357 L C -0.571 176.302 176.870 0.005 0.000 1.010 357 L CA -0.954 53.971 54.840 0.141 0.000 0.826 357 L CB 2.468 44.556 42.059 0.049 0.000 1.405 357 L HN 0.486 nan 8.230 nan 0.000 0.410 358 M N 3.252 122.760 119.600 -0.153 0.000 2.180 358 M HA 0.521 5.002 4.480 0.000 0.000 0.350 358 M C -1.788 174.382 176.300 -0.216 0.000 1.125 358 M CA -0.461 54.596 55.300 -0.404 0.000 1.031 358 M CB 0.914 32.912 32.600 -1.003 0.000 1.623 358 M HN 0.460 nan 8.290 nan 0.000 0.451 359 L N 3.772 124.894 121.223 -0.169 0.000 2.305 359 L HA 0.435 4.775 4.340 0.000 0.000 0.284 359 L C -0.174 176.637 176.870 -0.098 0.000 1.013 359 L CA -0.548 54.233 54.840 -0.100 0.000 0.819 359 L CB 1.864 43.881 42.059 -0.070 0.000 1.227 359 L HN 0.713 nan 8.230 nan 0.000 0.417 360 S N 2.511 118.173 115.700 -0.063 0.000 2.480 360 S HA 0.618 5.089 4.470 0.000 0.000 0.286 360 S C -0.397 174.199 174.600 -0.007 0.000 1.180 360 S CA -0.385 57.786 58.200 -0.049 0.000 1.075 360 S CB 0.928 64.104 63.200 -0.039 0.000 0.996 360 S HN 0.365 nan 8.310 nan 0.000 0.487 361 V N 4.983 124.901 119.914 0.008 0.000 2.763 361 V HA 0.604 4.725 4.120 0.000 0.000 0.257 361 V C 0.520 176.701 176.094 0.145 0.000 0.906 361 V CA 0.261 62.604 62.300 0.072 0.000 0.894 361 V CB 0.070 31.916 31.823 0.038 0.000 1.052 361 V HN 1.327 nan 8.190 nan 0.000 0.491 362 G N 3.510 112.395 108.800 0.143 0.000 2.508 362 G HA2 -0.183 3.778 3.960 0.000 0.000 0.220 362 G HA3 -0.183 3.778 3.960 0.000 0.000 0.220 362 G C 0.945 175.825 174.900 -0.033 0.000 1.287 362 G CA 0.404 45.545 45.100 0.069 0.000 0.916 362 G HN 1.375 nan 8.290 nan 0.000 0.574 363 S N -0.451 115.191 115.700 -0.098 0.000 2.507 363 S HA 0.284 4.754 4.470 0.000 0.000 0.235 363 S C 1.491 176.037 174.600 -0.091 0.000 0.988 363 S CA 1.538 59.674 58.200 -0.106 0.000 0.944 363 S CB -0.373 62.742 63.200 -0.142 0.000 0.762 363 S HN 2.265 nan 8.310 nan 0.000 0.526 364 S N 1.048 116.703 115.700 -0.075 0.000 2.617 364 S HA 0.532 5.002 4.470 0.000 0.000 0.269 364 S C -0.239 174.312 174.600 -0.083 0.000 1.292 364 S CA -0.104 58.047 58.200 -0.083 0.000 1.010 364 S CB 1.398 64.550 63.200 -0.080 0.000 0.944 364 S HN 0.430 nan 8.310 nan 0.000 0.536 365 T N 1.153 115.644 114.554 -0.105 0.000 3.032 365 T HA 0.615 4.965 4.350 0.000 0.000 0.312 365 T C -1.117 173.498 174.700 -0.141 0.000 1.078 365 T CA -0.344 61.679 62.100 -0.128 0.000 1.028 365 T CB 1.427 70.214 68.868 -0.135 0.000 1.091 365 T HN 0.775 nan 8.240 nan 0.000 0.457 366 T N 4.061 118.521 114.554 -0.157 0.000 2.889 366 T HA 0.623 4.974 4.350 0.000 0.000 0.315 366 T C -1.370 173.240 174.700 -0.149 0.000 1.291 366 T CA -0.574 61.441 62.100 -0.142 0.000 1.028 366 T CB 1.242 70.032 68.868 -0.131 0.000 1.235 366 T HN 0.587 nan 8.240 nan 0.000 0.491 367 L N 1.339 122.501 121.223 -0.103 0.000 2.334 367 L HA 0.936 5.276 4.340 0.000 0.000 0.272 367 L C 0.778 177.643 176.870 -0.009 0.000 1.020 367 L CA -0.133 54.667 54.840 -0.067 0.000 0.812 367 L CB 1.643 43.700 42.059 -0.002 0.000 1.264 367 L HN 0.885 nan 8.230 nan 0.000 0.439 368 G N 0.800 109.608 108.800 0.013 0.000 2.687 368 G HA2 0.677 4.637 3.960 0.000 0.000 0.291 368 G HA3 0.677 4.637 3.960 0.000 0.000 0.291 368 G C -2.030 172.896 174.900 0.043 0.000 1.420 368 G CA -0.471 44.649 45.100 0.033 0.000 0.796 368 G HN 0.572 nan 8.290 nan 0.000 0.485 369 I N 0.617 121.211 120.570 0.040 0.000 2.466 369 I HA 0.501 4.671 4.170 0.000 0.000 0.289 369 I C -0.299 175.827 176.117 0.014 0.000 1.026 369 I CA -0.950 60.369 61.300 0.032 0.000 1.078 369 I CB 1.873 39.896 38.000 0.037 0.000 1.249 369 I HN 0.289 nan 8.210 nan 0.000 0.429 370 V N 6.659 126.572 119.914 -0.001 0.000 2.557 370 V HA 0.006 4.126 4.120 0.000 0.000 0.301 370 V C 1.310 177.398 176.094 -0.009 0.000 1.026 370 V CA 1.152 63.440 62.300 -0.020 0.000 1.137 370 V CB 0.763 32.561 31.823 -0.042 0.000 0.917 370 V HN 0.957 nan 8.190 nan 0.000 0.484 371 T N -0.079 114.470 114.554 -0.008 0.000 2.959 371 T HA 0.237 4.588 4.350 0.000 0.000 0.254 371 T C 0.516 175.214 174.700 -0.003 0.000 1.003 371 T CA 0.091 62.190 62.100 -0.001 0.000 0.950 371 T CB 0.415 69.287 68.868 0.006 0.000 1.090 371 T HN 0.526 nan 8.240 nan 0.000 0.503 372 S N 0.475 116.171 115.700 -0.007 0.000 2.569 372 S HA 0.706 5.176 4.470 0.000 0.000 0.280 372 S C -0.992 173.605 174.600 -0.004 0.000 1.111 372 S CA -0.769 57.430 58.200 -0.001 0.000 0.887 372 S CB 2.501 65.704 63.200 0.006 0.000 1.095 372 S HN 0.270 nan 8.310 nan 0.000 0.476 373 V N 1.217 121.137 119.914 0.010 0.000 2.850 373 V HA 0.276 4.397 4.120 0.000 0.000 0.284 373 V C -0.257 175.869 176.094 0.055 0.000 0.940 373 V CA -0.801 61.512 62.300 0.021 0.000 1.131 373 V CB -0.038 31.785 31.823 -0.000 0.000 1.024 373 V HN 0.696 nan 8.190 nan 0.000 0.513 374 K N 0.842 121.284 120.400 0.070 0.000 2.140 374 K HA 0.365 4.685 4.320 0.000 0.000 0.237 374 K C 1.384 178.033 176.600 0.082 0.000 1.045 374 K CA -0.520 55.802 56.287 0.058 0.000 0.896 374 K CB 1.151 33.672 32.500 0.035 0.000 1.122 374 K HN 0.306 nan 8.250 nan 0.000 0.503 375 K N 1.041 121.461 120.400 0.034 0.000 2.015 375 K HA -0.244 4.076 4.320 0.000 0.000 0.220 375 K C 0.027 176.602 176.600 -0.042 0.000 1.055 375 K CA 2.657 58.947 56.287 0.005 0.000 0.951 375 K CB -0.137 32.347 32.500 -0.027 0.000 0.725 375 K HN 0.683 nan 8.250 nan 0.000 0.449 376 D N -0.551 119.793 120.400 -0.093 0.000 2.804 376 D HA 0.168 4.808 4.640 0.000 0.000 0.308 376 D C -0.879 175.318 176.300 -0.172 0.000 1.371 376 D CA -0.392 53.440 54.000 -0.280 0.000 0.823 376 D CB 0.651 41.282 40.800 -0.282 0.000 1.126 376 D HN 0.304 nan 8.370 nan 0.000 0.467 377 E N 1.150 121.405 120.200 0.092 0.000 2.354 377 E HA 0.439 4.789 4.350 0.000 0.000 0.283 377 E C -1.420 175.306 176.600 0.210 0.000 0.938 377 E CA -0.894 55.601 56.400 0.158 0.000 0.777 377 E CB 1.838 31.563 29.700 0.041 0.000 1.222 377 E HN 0.242 nan 8.360 nan 0.000 0.423 378 I N -0.614 120.054 120.570 0.162 0.000 3.145 378 I HA 0.665 4.835 4.170 0.000 0.000 0.313 378 I C -0.968 175.153 176.117 0.008 0.000 1.122 378 I CA -0.931 60.386 61.300 0.028 0.000 0.987 378 I CB 2.404 40.322 38.000 -0.136 0.000 1.236 378 I HN 0.424 nan 8.210 nan 0.000 0.453 379 E N 1.594 121.787 120.200 -0.011 0.000 2.317 379 E HA 0.730 5.080 4.350 0.000 0.000 0.270 379 E C -1.560 175.033 176.600 -0.011 0.000 0.885 379 E CA -0.929 55.469 56.400 -0.004 0.000 0.760 379 E CB 3.432 33.136 29.700 0.006 0.000 1.227 379 E HN 0.416 nan 8.360 nan 0.000 0.434 380 V N 1.449 121.362 119.914 -0.001 0.000 3.007 380 V HA 0.223 4.344 4.120 0.000 0.000 0.311 380 V C -0.852 175.263 176.094 0.034 0.000 1.120 380 V CA -0.753 61.550 62.300 0.005 0.000 0.980 380 V CB 2.351 34.166 31.823 -0.012 0.000 1.033 380 V HN 0.625 nan 8.190 nan 0.000 0.429 381 E N 3.250 123.478 120.200 0.047 0.000 2.055 381 E HA 0.452 4.802 4.350 0.000 0.000 0.274 381 E C -1.262 175.398 176.600 0.101 0.000 0.949 381 E CA -0.347 56.107 56.400 0.089 0.000 0.775 381 E CB 1.128 30.875 29.700 0.077 0.000 1.097 381 E HN 0.432 nan 8.360 nan 0.000 0.404 382 L N 4.037 125.334 121.223 0.123 0.000 2.290 382 L HA 0.328 4.669 4.340 0.000 0.000 0.284 382 L C 1.703 178.671 176.870 0.163 0.000 1.078 382 L CA -0.488 54.396 54.840 0.073 0.000 0.815 382 L CB 0.858 42.899 42.059 -0.029 0.000 1.162 382 L HN 0.442 nan 8.230 nan 0.000 0.435 383 R N 1.539 122.110 120.500 0.119 0.000 2.091 383 R HA -0.082 4.259 4.340 0.000 0.000 0.238 383 R C 0.841 177.248 176.300 0.178 0.000 1.136 383 R CA 1.290 57.504 56.100 0.190 0.000 0.959 383 R CB -0.114 30.253 30.300 0.112 0.000 0.856 383 R HN 0.521 nan 8.270 nan 0.000 0.437 384 R N 1.226 121.667 120.500 -0.098 0.000 2.589 384 R HA 0.294 4.634 4.340 0.000 0.000 0.293 384 R C -2.491 173.387 176.300 -0.704 0.000 0.963 384 R CA -2.320 53.521 56.100 -0.432 0.000 0.905 384 R CB 1.668 31.763 30.300 -0.341 0.000 1.144 384 R HN -0.114 nan 8.270 nan 0.000 0.459 385 P HA 0.068 nan 4.420 nan 0.000 0.274 385 P C -0.928 176.018 177.300 -0.589 0.000 1.237 385 P CA -0.257 62.231 63.100 -1.020 0.000 0.793 385 P CB 1.170 32.050 31.700 -1.367 0.000 0.977 386 V N -2.235 117.456 119.914 -0.370 0.000 2.604 386 V HA 0.791 4.912 4.120 0.000 0.000 0.305 386 V C -0.187 175.822 176.094 -0.141 0.000 1.043 386 V CA -1.395 60.773 62.300 -0.221 0.000 0.888 386 V CB 1.249 32.985 31.823 -0.145 0.000 0.995 386 V HN 0.657 nan 8.190 nan 0.000 0.429 387 A N 4.136 126.915 122.820 -0.068 0.000 2.343 387 A HA 0.663 4.984 4.320 0.000 0.000 0.305 387 A C -0.091 177.569 177.584 0.128 0.000 1.308 387 A CA -0.396 51.650 52.037 0.015 0.000 0.949 387 A CB 0.229 19.245 19.000 0.027 0.000 1.148 387 A HN 1.295 nan 8.150 nan 0.000 0.545 388 V N 4.867 124.790 119.914 0.016 0.000 2.304 388 V HA 0.027 4.148 4.120 0.000 0.000 0.262 388 V C 0.968 177.011 176.094 -0.086 0.000 1.061 388 V CA -0.335 61.886 62.300 -0.131 0.000 0.872 388 V CB -0.612 31.096 31.823 -0.191 0.000 1.077 388 V HN 1.137 nan 8.190 nan 0.000 0.480 389 W N 3.933 125.212 121.300 -0.035 0.000 2.468 389 W HA 0.080 4.741 4.660 0.000 0.000 0.262 389 W C 0.706 177.214 176.519 -0.019 0.000 1.241 389 W CA 0.445 57.775 57.345 -0.025 0.000 1.232 389 W CB -0.223 29.225 29.460 -0.021 0.000 1.124 389 W HN 0.613 nan 8.180 nan 0.000 0.597 390 S N -0.491 114.942 115.700 -0.444 0.000 2.543 390 S HA 0.252 4.723 4.470 0.000 0.000 0.274 390 S C -0.901 173.508 174.600 -0.319 0.000 1.149 390 S CA -1.129 56.907 58.200 -0.274 0.000 0.866 390 S CB 0.699 63.783 63.200 -0.194 0.000 1.111 390 S HN 0.232 nan 8.310 nan 0.000 0.457 391 N N 1.849 120.440 118.700 -0.182 0.000 2.374 391 N HA 0.181 4.921 4.740 0.000 0.000 0.241 391 N C -0.139 175.268 175.510 -0.172 0.000 1.262 391 N CA 0.861 53.815 53.050 -0.159 0.000 0.880 391 N CB -0.253 38.177 38.487 -0.095 0.000 1.105 391 N HN 0.769 nan 8.380 nan 0.000 0.438 392 N N -0.172 118.435 118.700 -0.155 0.000 2.714 392 N HA -0.186 4.554 4.740 0.000 0.000 0.253 392 N C -0.995 174.425 175.510 -0.149 0.000 1.024 392 N CA 1.118 54.092 53.050 -0.127 0.000 0.726 392 N CB -1.398 37.041 38.487 -0.080 0.000 0.908 392 N HN 0.531 nan 8.380 nan 0.000 0.542 393 I N -2.906 117.511 120.570 -0.255 0.000 2.713 393 I HA 0.353 4.523 4.170 0.000 0.000 0.300 393 I C 0.889 176.932 176.117 -0.124 0.000 1.009 393 I CA -0.808 60.324 61.300 -0.281 0.000 1.305 393 I CB 0.979 38.569 38.000 -0.684 0.000 1.430 393 I HN -0.057 nan 8.210 nan 0.000 0.546 394 R N 1.608 122.097 120.500 -0.018 0.000 2.539 394 R HA 0.454 4.794 4.340 0.000 0.000 0.275 394 R C -0.335 176.009 176.300 0.073 0.000 1.077 394 R CA -0.172 55.974 56.100 0.077 0.000 1.097 394 R CB 1.196 31.559 30.300 0.105 0.000 1.018 394 R HN 0.719 nan 8.270 nan 0.000 0.483 395 T N 1.589 116.219 114.554 0.127 0.000 2.952 395 T HA 0.376 4.727 4.350 0.000 0.000 0.305 395 T C -1.092 173.706 174.700 0.163 0.000 1.064 395 T CA -0.617 61.542 62.100 0.099 0.000 1.008 395 T CB 1.282 70.177 68.868 0.045 0.000 1.078 395 T HN 0.209 nan 8.240 nan 0.000 0.459 396 V N 5.874 125.853 119.914 0.108 0.000 2.427 396 V HA 0.572 4.692 4.120 0.000 0.000 0.286 396 V C -0.026 176.120 176.094 0.086 0.000 1.034 396 V CA -0.791 61.585 62.300 0.127 0.000 0.893 396 V CB 1.318 33.180 31.823 0.064 0.000 0.982 396 V HN 0.761 nan 8.190 nan 0.000 0.452 397 I N 3.493 124.136 120.570 0.120 0.000 2.330 397 I HA 0.447 4.617 4.170 0.000 0.000 0.289 397 I C 0.154 176.323 176.117 0.086 0.000 1.001 397 I CA 0.167 61.513 61.300 0.076 0.000 1.193 397 I CB 1.511 39.558 38.000 0.078 0.000 1.345 397 I HN 0.583 nan 8.210 nan 0.000 0.461 398 S N 6.241 121.974 115.700 0.055 0.000 2.578 398 S HA 0.639 5.109 4.470 0.000 0.000 0.301 398 S C -0.434 174.322 174.600 0.261 0.000 1.091 398 S CA -0.827 57.450 58.200 0.129 0.000 1.032 398 S CB 2.167 65.407 63.200 0.065 0.000 1.064 398 S HN 0.631 nan 8.310 nan 0.000 0.508 399 R N 2.005 122.730 120.500 0.374 0.000 2.502 399 R HA 0.270 4.610 4.340 0.000 0.000 0.298 399 R C -1.025 175.439 176.300 0.273 0.000 1.018 399 R CA -0.473 55.868 56.100 0.401 0.000 0.899 399 R CB 1.022 31.430 30.300 0.180 0.000 1.181 399 R HN 0.761 nan 8.270 nan 0.000 0.444 400 Q N 4.115 123.848 119.800 -0.110 0.000 2.263 400 Q HA -0.018 4.323 4.340 0.000 0.000 0.289 400 Q C 0.022 175.838 176.000 -0.306 0.000 1.061 400 Q CA 0.541 55.912 55.803 -0.720 0.000 0.927 400 Q CB 0.745 28.475 28.738 -1.681 0.000 1.154 400 Q HN 0.772 nan 8.270 nan 0.000 0.378 401 I N 2.132 122.585 120.570 -0.195 0.000 3.518 401 I HA 0.150 4.321 4.170 0.000 0.000 0.260 401 I C 0.426 176.477 176.117 -0.110 0.000 1.148 401 I CA 0.246 61.482 61.300 -0.107 0.000 1.440 401 I CB 0.550 38.530 38.000 -0.034 0.000 1.485 401 I HN 0.626 nan 8.210 nan 0.000 0.456 402 A N 0.508 123.266 122.820 -0.103 0.000 3.201 402 A HA 0.554 4.874 4.320 0.000 0.000 0.312 402 A C 0.944 178.463 177.584 -0.107 0.000 1.011 402 A CA 0.265 52.251 52.037 -0.084 0.000 0.987 402 A CB -0.421 18.552 19.000 -0.045 0.000 1.060 402 A HN 0.642 nan 8.150 nan 0.000 0.505 403 G N 0.270 108.968 108.800 -0.169 0.000 2.220 403 G HA2 -0.284 3.676 3.960 0.000 0.000 0.269 403 G HA3 -0.284 3.676 3.960 0.000 0.000 0.269 403 G C 0.414 175.183 174.900 -0.217 0.000 0.977 403 G CA 0.766 45.755 45.100 -0.185 0.000 0.634 403 G HN 0.707 nan 8.290 nan 0.000 0.539 404 R N -0.987 119.400 120.500 -0.187 0.000 2.514 404 R HA 0.483 4.824 4.340 0.000 0.000 0.301 404 R C -0.546 175.684 176.300 -0.117 0.000 0.962 404 R CA -0.869 55.162 56.100 -0.116 0.000 0.882 404 R CB 0.987 31.271 30.300 -0.027 0.000 1.143 404 R HN 0.223 nan 8.270 nan 0.000 0.452 405 W N 2.634 123.933 121.300 -0.002 0.000 2.218 405 W HA 0.254 4.915 4.660 0.000 0.000 0.326 405 W C 0.483 177.010 176.519 0.014 0.000 1.276 405 W CA -0.182 57.166 57.345 0.005 0.000 1.210 405 W CB 0.678 30.140 29.460 0.004 0.000 1.143 405 W HN 0.079 nan 8.180 nan 0.000 0.563 406 R N 2.904 123.593 120.500 0.316 0.000 2.725 406 R HA 0.381 4.721 4.340 0.000 0.000 0.277 406 R C -0.681 175.730 176.300 0.185 0.000 0.987 406 R CA -1.482 54.735 56.100 0.196 0.000 0.901 406 R CB 1.812 32.188 30.300 0.127 0.000 1.207 406 R HN 0.611 nan 8.270 nan 0.000 0.463 407 M N 4.074 123.762 119.600 0.146 0.000 2.200 407 M HA 0.223 4.703 4.480 0.000 0.000 0.355 407 M C 0.691 177.075 176.300 0.139 0.000 1.283 407 M CA 0.437 55.818 55.300 0.135 0.000 1.124 407 M CB 0.357 33.030 32.600 0.122 0.000 1.625 407 M HN 0.759 nan 8.290 nan 0.000 0.463 408 I N 0.933 121.592 120.570 0.149 0.000 4.557 408 I HA 0.618 4.789 4.170 0.000 0.000 0.333 408 I C 0.333 176.566 176.117 0.194 0.000 1.332 408 I CA -0.298 61.093 61.300 0.152 0.000 1.240 408 I CB 0.577 38.654 38.000 0.128 0.000 1.312 408 I HN 0.696 nan 8.210 nan 0.000 0.457 409 G N 0.763 109.702 108.800 0.232 0.000 2.341 409 G HA2 0.451 4.412 3.960 0.000 0.000 0.299 409 G HA3 0.451 4.412 3.960 0.000 0.000 0.299 409 G C -2.456 172.708 174.900 0.439 0.000 1.274 409 G CA -0.127 45.178 45.100 0.342 0.000 0.853 409 G HN 0.376 nan 8.290 nan 0.000 0.493 410 W N -1.246 120.105 121.300 0.085 0.000 2.937 410 W HA 0.824 5.484 4.660 0.000 0.000 0.360 410 W C -0.192 176.369 176.519 0.069 0.000 1.215 410 W CA -0.902 56.473 57.345 0.050 0.000 1.183 410 W CB 0.815 30.280 29.460 0.008 0.000 1.458 410 W HN 1.868 nan 8.180 nan 0.000 0.574 411 G N -0.109 108.736 108.800 0.075 0.000 2.489 411 G HA2 0.595 4.556 3.960 0.000 0.000 0.305 411 G HA3 0.595 4.556 3.960 0.000 0.000 0.305 411 G C -2.561 172.325 174.900 -0.022 0.000 1.311 411 G CA -1.189 43.826 45.100 -0.142 0.000 0.813 411 G HN 0.541 nan 8.290 nan 0.000 0.480 412 L N 0.609 121.786 121.223 -0.076 0.000 2.333 412 L HA 0.518 4.858 4.340 0.000 0.000 0.280 412 L C -0.075 176.757 176.870 -0.065 0.000 1.004 412 L CA -1.112 53.696 54.840 -0.052 0.000 0.820 412 L CB 2.080 44.099 42.059 -0.068 0.000 1.247 412 L HN 0.239 nan 8.230 nan 0.000 0.416 413 V N 2.916 122.779 119.914 -0.085 0.000 2.397 413 V HA 0.016 4.136 4.120 0.000 0.000 0.262 413 V C 0.616 176.647 176.094 -0.104 0.000 1.047 413 V CA -0.160 62.081 62.300 -0.097 0.000 1.003 413 V CB 0.276 32.016 31.823 -0.138 0.000 1.037 413 V HN 0.711 nan 8.190 nan 0.000 0.480 414 E N 5.547 125.703 120.200 -0.073 0.000 1.791 414 E HA 0.202 4.553 4.350 0.000 0.000 0.263 414 E C 0.396 176.959 176.600 -0.061 0.000 1.213 414 E CA -0.142 56.219 56.400 -0.065 0.000 0.991 414 E CB 0.330 30.002 29.700 -0.046 0.000 1.068 414 E HN 0.603 nan 8.360 nan 0.000 0.417 415 I N 0.000 120.523 120.570 -0.078 0.000 2.984 415 I HA 0.000 4.170 4.170 0.000 0.000 0.288 415 I CA 0.000 61.261 61.300 -0.065 0.000 1.566 415 I CB 0.000 37.955 38.000 -0.074 0.000 1.214 415 I HN 0.000 nan 8.210 nan 0.000 0.494