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 3c8d_1_A DATA FIRST_RESID 6 DATA SEQUENCE VGSESWWQSK HGPEWQRLND EMFEVTFWWR DPQGSEEYST IKRVWVYITG DATA SEQUENCE VTXXXXXXXP QSMQRIAGTD VWQWTTQLNA NWRGSYCFIP TERDDIFSAP DATA SEQUENCE XXDRLELREG WRKLLPQAIA DPLNPQSWKG GLGHAVSALE MPQAPLQPGW DATA SEQUENCE DCPQAPEIPA KEIIWKSERL KNSRRVWIFT TXXXXXEERP LAVLLDGEFW DATA SEQUENCE AQSMPVWPVL TSLTHRQQLP PAVYVLIDAI DTTHRAHELP CNADFWLAVQ DATA SEQUENCE QELLPLVKVI APFSDRADRT VVAGQSFGGL SALYAGLHWP ERFGCVLSQS DATA SEQUENCE GSYWWPHRGG QQEGVLLEKL KAGEVSAEGL RIVLEAGIRE PMIMRANQAL DATA SEQUENCE YAQLHPIKES IFWRQVDGGH DALCWRGGLM QGLIDLWQPL FH 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.452 176.094 -1.071 0.000 1.182 6 V CA 0.000 61.285 62.300 -1.691 0.000 1.235 6 V CB 0.000 31.073 31.823 -1.249 0.000 1.184 7 G N 3.933 112.091 108.800 -1.070 0.000 2.349 7 G HA2 -0.221 1.443 3.960 -3.827 0.000 0.213 7 G HA3 -0.221 1.443 3.960 -3.827 0.000 0.213 7 G C 0.604 175.536 174.900 0.053 0.000 1.044 7 G CA 0.343 45.209 45.100 -0.389 0.000 0.633 7 G HN 1.202 nan 8.290 nan 0.000 0.506 8 S N 0.823 116.524 115.700 0.001 0.000 2.560 8 S HA 0.354 2.528 4.470 -3.827 0.000 0.284 8 S C 1.490 176.238 174.600 0.247 0.000 1.327 8 S CA 0.946 59.216 58.200 0.117 0.000 1.055 8 S CB 1.308 64.536 63.200 0.048 0.000 0.868 8 S HN 0.652 nan 8.310 nan 0.000 0.506 9 E N 3.331 123.676 120.200 0.242 0.000 2.233 9 E HA -0.168 1.885 4.350 -3.827 0.000 0.199 9 E C 1.577 178.303 176.600 0.209 0.000 1.004 9 E CA 2.359 58.914 56.400 0.257 0.000 0.819 9 E CB -0.310 29.474 29.700 0.140 0.000 0.738 9 E HN 0.591 nan 8.360 nan 0.000 0.478 10 S N -0.894 114.894 115.700 0.147 0.000 2.436 10 S HA -0.067 2.107 4.470 -3.827 0.000 0.228 10 S C 1.431 176.075 174.600 0.075 0.000 1.014 10 S CA 0.665 58.919 58.200 0.090 0.000 0.950 10 S CB -0.578 62.660 63.200 0.063 0.000 0.784 10 S HN 0.584 nan 8.310 nan 0.000 0.504 11 W N 1.280 122.514 121.300 -0.110 0.000 2.418 11 W HA 0.038 2.402 4.660 -3.827 0.000 0.292 11 W C 1.359 177.699 176.519 -0.299 0.000 1.213 11 W CA 0.602 57.793 57.345 -0.256 0.000 1.283 11 W CB -0.417 28.814 29.460 -0.382 0.000 1.119 11 W HN 0.275 nan 8.180 nan 0.000 0.542 12 W N 0.749 122.050 121.300 0.002 0.000 2.465 12 W HA -0.131 2.232 4.660 -3.828 0.000 0.268 12 W C 2.406 178.757 176.519 -0.280 0.000 1.242 12 W CA 1.053 58.293 57.345 -0.174 0.000 1.248 12 W CB -0.337 29.134 29.460 0.018 0.000 1.118 12 W HN -0.026 nan 8.180 nan 0.000 0.587 13 Q N -0.377 119.415 119.800 -0.013 0.000 2.167 13 Q HA -0.148 1.896 4.340 -3.827 0.000 0.202 13 Q C 2.126 177.977 176.000 -0.247 0.000 0.970 13 Q CA 1.715 57.474 55.803 -0.074 0.000 0.855 13 Q CB -0.527 28.199 28.738 -0.020 0.000 0.911 13 Q HN 0.281 nan 8.270 nan 0.000 0.438 14 S N -0.232 115.239 115.700 -0.382 0.000 2.603 14 S HA 0.080 2.254 4.470 -3.827 0.000 0.220 14 S C 0.568 174.751 174.600 -0.695 0.000 0.967 14 S CA -0.049 57.873 58.200 -0.464 0.000 0.920 14 S CB 0.223 63.153 63.200 -0.449 0.000 0.773 14 S HN -0.011 nan 8.310 nan 0.000 0.529 15 K N 2.369 122.328 120.400 -0.734 0.000 2.211 15 K HA 0.272 2.296 4.320 -3.827 0.000 0.275 15 K C -0.615 175.672 176.600 -0.522 0.000 1.024 15 K CA -0.261 55.663 56.287 -0.605 0.000 0.887 15 K CB 0.660 32.880 32.500 -0.467 0.000 1.084 15 K HN 0.357 nan 8.250 nan 0.000 0.463 16 H N 1.167 120.258 119.070 0.035 0.000 2.587 16 H HA 0.236 2.495 4.556 -3.828 0.000 0.245 16 H C 0.919 176.380 175.328 0.223 0.000 1.238 16 H CA 0.128 56.245 56.048 0.115 0.000 0.963 16 H CB 0.677 30.480 29.762 0.068 0.000 1.904 16 H HN 0.998 nan 8.280 nan 0.000 0.584 17 G N 1.601 110.633 108.800 0.387 0.000 2.512 17 G HA2 -0.209 1.455 3.960 -3.827 0.000 0.210 17 G HA3 -0.209 1.455 3.960 -3.827 0.000 0.210 17 G C -2.702 172.511 174.900 0.522 0.000 1.295 17 G CA -1.271 44.123 45.100 0.491 0.000 0.934 17 G HN 0.142 nan 8.290 nan 0.000 0.554 18 P HA 0.384 nan 4.420 nan 0.000 0.268 18 P C -0.421 177.131 177.300 0.420 0.000 1.204 18 P CA 0.428 63.673 63.100 0.241 0.000 0.768 18 P CB 0.663 32.318 31.700 -0.075 0.000 0.842 19 E N 2.240 122.638 120.200 0.330 0.000 2.183 19 E HA 0.441 2.495 4.350 -3.827 0.000 0.271 19 E C -0.873 175.866 176.600 0.231 0.000 0.919 19 E CA -0.638 55.879 56.400 0.195 0.000 0.781 19 E CB 1.216 31.095 29.700 0.298 0.000 1.140 19 E HN 0.471 nan 8.360 nan 0.000 0.402 20 W N 1.095 122.432 121.300 0.062 0.000 2.902 20 W HA 0.582 2.951 4.660 -3.818 0.000 0.346 20 W C -0.923 175.711 176.519 0.191 0.000 1.139 20 W CA -0.841 56.562 57.345 0.098 0.000 1.139 20 W CB 1.086 30.607 29.460 0.101 0.000 1.439 20 W HN 0.181 nan 8.180 nan 0.000 0.558 21 Q N 2.139 122.173 119.800 0.390 0.000 2.271 21 Q HA 0.238 2.281 4.340 -3.827 0.000 0.268 21 Q C -0.801 175.201 176.000 0.003 0.000 1.021 21 Q CA -1.199 54.707 55.803 0.171 0.000 0.802 21 Q CB 2.988 31.754 28.738 0.048 0.000 1.282 21 Q HN 0.676 nan 8.270 nan 0.000 0.431 22 R N 2.786 123.103 120.500 -0.306 0.000 2.458 22 R HA -0.005 2.038 4.340 -3.827 0.000 0.303 22 R C 0.467 176.472 176.300 -0.492 0.000 1.013 22 R CA 0.267 55.752 56.100 -1.024 0.000 1.026 22 R CB 0.287 30.172 30.300 -0.691 0.000 0.948 22 R HN 0.535 nan 8.270 nan 0.000 0.417 23 L N 0.818 121.766 121.223 -0.458 0.000 2.858 23 L HA 0.572 2.615 4.340 -3.827 0.000 0.251 23 L C -0.820 175.943 176.870 -0.177 0.000 1.149 23 L CA -0.037 54.672 54.840 -0.219 0.000 0.955 23 L CB 0.023 42.004 42.059 -0.129 0.000 1.289 23 L HN 0.525 nan 8.230 nan 0.000 0.542 24 N N -1.216 117.345 118.700 -0.231 0.000 3.179 24 N HA 0.308 2.752 4.740 -3.827 0.000 0.250 24 N C -0.537 174.917 175.510 -0.094 0.000 1.507 24 N CA -0.271 52.708 53.050 -0.119 0.000 0.883 24 N CB 1.088 39.541 38.487 -0.057 0.000 1.435 24 N HN -0.142 nan 8.380 nan 0.000 0.532 25 D N 0.200 120.588 120.400 -0.020 0.000 2.348 25 D HA 0.092 2.435 4.640 -3.827 0.000 0.211 25 D C 0.185 176.527 176.300 0.070 0.000 0.998 25 D CA 0.903 54.920 54.000 0.029 0.000 0.873 25 D CB 0.391 41.207 40.800 0.027 0.000 0.925 25 D HN 0.507 nan 8.370 nan 0.000 0.524 26 E N -1.156 119.080 120.200 0.059 0.000 2.541 26 E HA 0.246 2.300 4.350 -3.827 0.000 0.219 26 E C -0.045 176.628 176.600 0.123 0.000 0.922 26 E CA -0.037 56.414 56.400 0.085 0.000 1.095 26 E CB 1.052 30.783 29.700 0.053 0.000 1.112 26 E HN -0.023 nan 8.360 nan 0.000 0.516 27 M N -0.081 119.587 119.600 0.114 0.000 2.470 27 M HA 0.432 2.616 4.480 -3.827 0.000 0.285 27 M C -1.870 174.516 176.300 0.143 0.000 1.213 27 M CA -0.494 54.893 55.300 0.145 0.000 0.901 27 M CB 1.804 34.432 32.600 0.047 0.000 1.718 27 M HN -0.190 nan 8.290 nan 0.000 0.469 28 F N 0.498 120.456 119.950 0.014 0.000 2.579 28 F HA 0.582 2.815 4.527 -3.822 0.000 0.324 28 F C -0.190 175.608 175.800 -0.004 0.000 1.058 28 F CA -0.743 57.281 58.000 0.040 0.000 0.944 28 F CB 1.712 40.764 39.000 0.087 0.000 1.245 28 F HN 0.509 nan 8.300 nan 0.000 0.477 29 E N 1.721 122.016 120.200 0.159 0.000 2.151 29 E HA 0.613 2.666 4.350 -3.827 0.000 0.275 29 E C -1.931 174.711 176.600 0.070 0.000 0.936 29 E CA -0.481 55.945 56.400 0.043 0.000 0.777 29 E CB 1.496 31.186 29.700 -0.017 0.000 1.108 29 E HN 0.422 nan 8.360 nan 0.000 0.401 30 V N 3.913 123.797 119.914 -0.051 0.000 2.495 30 V HA 0.377 2.201 4.120 -3.827 0.000 0.298 30 V C -0.202 175.706 176.094 -0.309 0.000 1.031 30 V CA -0.670 61.555 62.300 -0.125 0.000 0.871 30 V CB 1.906 33.616 31.823 -0.188 0.000 0.988 30 V HN 0.775 nan 8.190 nan 0.000 0.432 31 T N 5.088 119.401 114.554 -0.402 0.000 2.829 31 T HA 0.712 2.766 4.350 -3.827 0.000 0.280 31 T C -0.866 173.358 174.700 -0.793 0.000 0.999 31 T CA -0.141 61.613 62.100 -0.577 0.000 0.983 31 T CB 0.906 69.368 68.868 -0.676 0.000 0.968 31 T HN 0.300 nan 8.240 nan 0.000 0.446 32 F N 1.705 121.427 119.950 -0.379 0.000 2.495 32 F HA 0.599 2.828 4.527 -3.831 0.000 0.327 32 F C -0.285 175.405 175.800 -0.183 0.000 1.103 32 F CA -1.056 56.908 58.000 -0.059 0.000 0.949 32 F CB 1.505 40.672 39.000 0.279 0.000 1.142 32 F HN 0.360 nan 8.300 nan 0.000 0.457 33 W N 2.454 124.098 121.300 0.573 0.000 2.702 33 W HA 0.303 2.666 4.660 -3.828 0.000 0.331 33 W C -1.383 175.521 176.519 0.642 0.000 1.049 33 W CA -1.410 56.285 57.345 0.584 0.000 1.230 33 W CB 2.024 31.835 29.460 0.586 0.000 1.408 33 W HN 0.631 nan 8.180 nan 0.000 0.492 34 W N 4.371 126.009 121.300 0.562 0.000 2.915 34 W HA 0.539 2.903 4.660 -3.826 0.000 0.337 34 W C -0.987 175.759 176.519 0.379 0.000 1.102 34 W CA -1.192 56.357 57.345 0.340 0.000 1.224 34 W CB 1.261 30.680 29.460 -0.068 0.000 1.416 34 W HN 0.252 nan 8.180 nan 0.000 0.503 35 R N 4.418 124.400 120.500 -0.865 0.000 2.229 35 R HA 0.128 2.172 4.340 -3.827 0.000 0.328 35 R C -0.667 174.748 176.300 -1.475 0.000 1.009 35 R CA -0.482 54.909 56.100 -1.183 0.000 0.864 35 R CB 0.753 29.946 30.300 -1.844 0.000 1.085 35 R HN 0.468 nan 8.270 nan 0.000 0.453 36 D N 6.102 125.978 120.400 -0.875 0.000 2.344 36 D HA 0.085 2.428 4.640 -3.827 0.000 0.253 36 D C -1.691 174.388 176.300 -0.368 0.000 1.255 36 D CA -2.101 51.469 54.000 -0.717 0.000 0.894 36 D CB 1.666 42.525 40.800 0.099 0.000 1.067 36 D HN 0.367 nan 8.370 nan 0.000 0.492 37 P HA -0.057 nan 4.420 nan 0.000 0.236 37 P C 0.597 177.869 177.300 -0.046 0.000 1.172 37 P CA 0.873 63.881 63.100 -0.153 0.000 0.759 37 P CB 0.271 31.929 31.700 -0.070 0.000 0.843 38 Q N -1.821 117.987 119.800 0.013 0.000 2.392 38 Q HA 0.308 2.351 4.340 -3.827 0.000 0.219 38 Q C 1.127 177.184 176.000 0.096 0.000 0.895 38 Q CA 0.538 56.385 55.803 0.074 0.000 0.929 38 Q CB 0.506 29.328 28.738 0.139 0.000 1.077 38 Q HN 0.204 nan 8.270 nan 0.000 0.532 39 G N 1.212 110.064 108.800 0.088 0.000 2.384 39 G HA2 -0.234 1.430 3.960 -3.827 0.000 0.200 39 G HA3 -0.234 1.430 3.960 -3.827 0.000 0.200 39 G C -0.248 174.741 174.900 0.149 0.000 1.205 39 G CA -0.312 44.855 45.100 0.111 0.000 1.116 39 G HN 0.361 nan 8.290 nan 0.000 0.547 40 S N 0.400 116.189 115.700 0.149 0.000 2.634 40 S HA 0.456 2.629 4.470 -3.827 0.000 0.261 40 S C 1.538 176.192 174.600 0.090 0.000 1.271 40 S CA 0.929 59.185 58.200 0.093 0.000 0.985 40 S CB 1.343 64.580 63.200 0.062 0.000 0.968 40 S HN 1.459 nan 8.310 nan 0.000 0.568 41 E N 0.072 120.285 120.200 0.021 0.000 2.396 41 E HA -0.251 1.802 4.350 -3.827 0.000 0.200 41 E C 1.383 177.977 176.600 -0.010 0.000 1.023 41 E CA 1.607 58.016 56.400 0.015 0.000 0.857 41 E CB -0.368 29.306 29.700 -0.044 0.000 0.775 41 E HN 0.874 nan 8.360 nan 0.000 0.525 42 E N 0.558 120.730 120.200 -0.046 0.000 2.072 42 E HA -0.169 1.884 4.350 -3.827 0.000 0.190 42 E C 0.742 177.148 176.600 -0.324 0.000 0.982 42 E CA 1.086 57.362 56.400 -0.207 0.000 0.803 42 E CB -0.258 29.288 29.700 -0.256 0.000 0.755 42 E HN 0.384 nan 8.360 nan 0.000 0.453 43 Y N -0.135 120.189 120.300 0.040 0.000 2.584 43 Y HA 0.408 2.661 4.550 -3.828 0.000 0.254 43 Y C 0.150 176.089 175.900 0.065 0.000 1.177 43 Y CA -0.173 57.953 58.100 0.044 0.000 1.216 43 Y CB 0.891 39.371 38.460 0.035 0.000 1.172 43 Y HN -0.073 nan 8.280 nan 0.000 0.529 44 S N -0.492 115.321 115.700 0.189 0.000 2.462 44 S HA 0.217 2.390 4.470 -3.827 0.000 0.294 44 S C 1.123 175.823 174.600 0.166 0.000 1.144 44 S CA -0.333 57.988 58.200 0.201 0.000 1.088 44 S CB 1.062 64.423 63.200 0.269 0.000 1.009 44 S HN 0.300 nan 8.310 nan 0.000 0.484 45 T N 4.523 119.167 114.554 0.151 0.000 2.985 45 T HA 0.109 2.162 4.350 -3.827 0.000 0.266 45 T C 0.754 175.522 174.700 0.113 0.000 1.076 45 T CA 0.386 62.552 62.100 0.110 0.000 1.135 45 T CB -0.153 68.765 68.868 0.084 0.000 0.890 45 T HN 0.526 nan 8.240 nan 0.000 0.480 46 I N 2.472 123.137 120.570 0.158 0.000 2.598 46 I HA 0.110 1.983 4.170 -3.827 0.000 0.284 46 I C 1.033 177.264 176.117 0.189 0.000 1.140 46 I CA 0.349 61.709 61.300 0.100 0.000 1.420 46 I CB 0.804 38.840 38.000 0.061 0.000 1.387 46 I HN 0.113 nan 8.210 nan 0.000 0.553 47 K N 5.038 125.477 120.400 0.065 0.000 2.365 47 K HA 0.233 2.257 4.320 -3.827 0.000 0.195 47 K C 0.232 176.876 176.600 0.074 0.000 1.079 47 K CA 0.226 56.593 56.287 0.134 0.000 0.979 47 K CB 0.620 33.159 32.500 0.065 0.000 0.929 47 K HN 0.407 nan 8.250 nan 0.000 0.523 48 R N 0.185 120.545 120.500 -0.233 0.000 2.808 48 R HA 0.475 2.519 4.340 -3.827 0.000 0.272 48 R C -1.281 174.481 176.300 -0.897 0.000 0.995 48 R CA -0.833 54.926 56.100 -0.568 0.000 0.917 48 R CB 2.112 31.929 30.300 -0.806 0.000 1.217 48 R HN -0.253 nan 8.270 nan 0.000 0.471 49 V N 1.778 121.088 119.914 -1.007 0.000 2.439 49 V HA 0.286 2.110 4.120 -3.827 0.000 0.277 49 V C -1.039 174.666 176.094 -0.648 0.000 1.008 49 V CA -0.960 60.799 62.300 -0.901 0.000 0.846 49 V CB 0.999 32.179 31.823 -1.073 0.000 1.031 49 V HN 0.593 nan 8.190 nan 0.000 0.441 50 W N 3.193 124.358 121.300 -0.224 0.000 2.238 50 W HA 0.536 2.899 4.660 -3.828 0.000 0.321 50 W C 0.069 176.547 176.519 -0.067 0.000 1.293 50 W CA -0.550 56.750 57.345 -0.075 0.000 1.204 50 W CB 1.080 30.654 29.460 0.189 0.000 1.167 50 W HN 0.290 nan 8.180 nan 0.000 0.553 51 V N 4.632 124.546 119.914 -0.001 0.000 2.348 51 V HA 0.066 1.890 4.120 -3.827 0.000 0.270 51 V C -0.861 175.200 176.094 -0.054 0.000 1.037 51 V CA -0.923 61.329 62.300 -0.080 0.000 0.872 51 V CB -0.026 31.460 31.823 -0.562 0.000 1.002 51 V HN 0.385 nan 8.190 nan 0.000 0.464 52 Y N 6.350 126.592 120.300 -0.097 0.000 2.504 52 Y HA 0.576 2.823 4.550 -3.837 0.000 0.339 52 Y C 0.016 175.816 175.900 -0.166 0.000 0.974 52 Y CA -0.567 57.365 58.100 -0.280 0.000 1.232 52 Y CB 0.777 38.984 38.460 -0.422 0.000 1.108 52 Y HN 0.542 nan 8.280 nan 0.000 0.509 53 I N 5.809 126.149 120.570 -0.383 0.000 2.312 53 I HA 0.149 2.022 4.170 -3.827 0.000 0.290 53 I C 0.227 176.224 176.117 -0.199 0.000 1.008 53 I CA -0.636 60.582 61.300 -0.136 0.000 1.226 53 I CB 1.339 39.255 38.000 -0.141 0.000 1.371 53 I HN 0.526 nan 8.210 nan 0.000 0.468 54 T N 5.786 120.368 114.554 0.048 0.000 2.758 54 T HA 0.177 2.231 4.350 -3.827 0.000 0.281 54 T C 1.162 175.926 174.700 0.107 0.000 0.963 54 T CA 1.199 63.327 62.100 0.046 0.000 1.201 54 T CB 0.376 69.295 68.868 0.086 0.000 0.906 54 T HN 1.104 nan 8.240 nan 0.000 0.528 55 G N 2.549 111.344 108.800 -0.008 0.000 2.284 55 G HA2 -0.297 1.367 3.960 -3.827 0.000 0.230 55 G HA3 -0.297 1.367 3.960 -3.827 0.000 0.230 55 G C 0.812 175.714 174.900 0.003 0.000 1.021 55 G CA 0.255 45.386 45.100 0.053 0.000 0.619 55 G HN 0.609 nan 8.290 nan 0.000 0.510 56 V N -0.256 119.620 119.914 -0.062 0.000 2.721 56 V HA 0.398 2.222 4.120 -3.827 0.000 0.236 56 V C 1.646 177.613 176.094 -0.212 0.000 1.116 56 V CA 1.883 64.093 62.300 -0.150 0.000 1.148 56 V CB -0.295 31.356 31.823 -0.286 0.000 0.886 56 V HN 1.150 nan 8.190 nan 0.000 0.490 66 Q N 0.495 120.478 119.800 0.305 0.000 2.325 66 Q HA 0.701 2.744 4.340 -3.827 0.000 0.270 66 Q C -0.586 175.309 176.000 -0.174 0.000 1.020 66 Q CA -0.369 55.479 55.803 0.076 0.000 0.785 66 Q CB 2.465 31.140 28.738 -0.105 0.000 1.259 66 Q HN 0.203 nan 8.270 nan 0.000 0.452 67 S N 2.845 118.365 115.700 -0.300 0.000 2.549 67 S HA 0.566 2.740 4.470 -3.827 0.000 0.297 67 S C -0.083 174.327 174.600 -0.316 0.000 1.115 67 S CA -0.660 57.184 58.200 -0.592 0.000 1.059 67 S CB 0.624 63.262 63.200 -0.936 0.000 1.046 67 S HN 0.603 nan 8.310 nan 0.000 0.506 68 M N 3.642 123.112 119.600 -0.217 0.000 2.252 68 M HA 0.165 2.349 4.480 -3.827 0.000 0.333 68 M C 0.029 176.531 176.300 0.336 0.000 1.111 68 M CA 0.196 55.602 55.300 0.177 0.000 1.140 68 M CB 0.241 32.996 32.600 0.259 0.000 1.538 68 M HN 0.564 nan 8.290 nan 0.000 0.448 69 Q N 2.008 121.970 119.800 0.269 0.000 2.312 69 Q HA 0.396 2.440 4.340 -3.827 0.000 0.263 69 Q C -0.664 175.239 176.000 -0.162 0.000 0.995 69 Q CA -0.521 55.317 55.803 0.057 0.000 0.853 69 Q CB 2.118 30.874 28.738 0.030 0.000 1.300 69 Q HN 0.586 nan 8.270 nan 0.000 0.448 70 R N 2.516 122.602 120.500 -0.691 0.000 2.543 70 R HA 0.255 2.299 4.340 -3.827 0.000 0.277 70 R C -0.230 175.851 176.300 -0.366 0.000 1.074 70 R CA -0.225 55.373 56.100 -0.837 0.000 1.076 70 R CB 0.390 29.968 30.300 -1.202 0.000 0.993 70 R HN 0.576 nan 8.270 nan 0.000 0.459 71 I N 4.557 124.979 120.570 -0.246 0.000 2.363 71 I HA 0.121 1.994 4.170 -3.827 0.000 0.292 71 I C 0.803 176.812 176.117 -0.179 0.000 1.075 71 I CA -0.374 60.826 61.300 -0.167 0.000 1.333 71 I CB 0.957 38.872 38.000 -0.141 0.000 1.415 71 I HN 0.700 nan 8.210 nan 0.000 0.502 72 A N 4.978 127.704 122.820 -0.156 0.000 2.561 72 A HA 0.353 2.377 4.320 -3.827 0.000 0.234 72 A C 1.471 178.988 177.584 -0.111 0.000 1.055 72 A CA 0.781 52.736 52.037 -0.136 0.000 0.756 72 A CB -0.210 18.726 19.000 -0.107 0.000 0.986 72 A HN 1.223 nan 8.150 nan 0.000 0.505 73 G N 1.506 110.252 108.800 -0.091 0.000 2.304 73 G HA2 -0.245 1.419 3.960 -3.827 0.000 0.252 73 G HA3 -0.245 1.419 3.960 -3.827 0.000 0.252 73 G C 0.535 175.403 174.900 -0.054 0.000 1.014 73 G CA 0.924 45.986 45.100 -0.064 0.000 0.619 73 G HN 1.455 nan 8.290 nan 0.000 0.525 74 T N 1.235 115.741 114.554 -0.081 0.000 2.927 74 T HA 0.495 2.549 4.350 -3.827 0.000 0.281 74 T C 0.711 175.414 174.700 0.005 0.000 0.998 74 T CA 0.290 62.357 62.100 -0.054 0.000 1.019 74 T CB 1.533 70.329 68.868 -0.119 0.000 1.061 74 T HN 0.330 nan 8.240 nan 0.000 0.518 75 D N -0.240 120.230 120.400 0.117 0.000 2.336 75 D HA 0.049 2.393 4.640 -3.827 0.000 0.228 75 D C -0.026 176.492 176.300 0.363 0.000 1.120 75 D CA -0.199 53.918 54.000 0.196 0.000 0.839 75 D CB -0.406 40.501 40.800 0.177 0.000 0.932 75 D HN 0.168 nan 8.370 nan 0.000 0.509 76 V N 1.376 121.465 119.914 0.292 0.000 2.364 76 V HA 0.232 2.056 4.120 -3.827 0.000 0.272 76 V C -0.543 175.725 176.094 0.289 0.000 1.036 76 V CA -0.763 61.815 62.300 0.464 0.000 0.880 76 V CB 0.372 32.266 31.823 0.119 0.000 0.991 76 V HN 0.078 nan 8.190 nan 0.000 0.460 77 W N 3.771 125.339 121.300 0.447 0.000 2.469 77 W HA 0.661 3.026 4.660 -3.825 0.000 0.320 77 W C 0.186 176.925 176.519 0.367 0.000 1.086 77 W CA -0.216 57.341 57.345 0.353 0.000 1.211 77 W CB 1.003 30.702 29.460 0.398 0.000 1.298 77 W HN 0.451 nan 8.180 nan 0.000 0.525 78 Q N 2.369 122.420 119.800 0.419 0.000 2.379 78 Q HA 0.451 2.494 4.340 -3.827 0.000 0.278 78 Q C -2.059 174.099 176.000 0.264 0.000 1.068 78 Q CA -0.787 55.156 55.803 0.234 0.000 0.816 78 Q CB 2.561 31.382 28.738 0.139 0.000 1.387 78 Q HN 0.633 nan 8.270 nan 0.000 0.413 79 W N 1.619 122.896 121.300 -0.038 0.000 3.256 79 W HA 0.571 2.933 4.660 -3.830 0.000 0.324 79 W C -1.723 174.809 176.519 0.022 0.000 1.196 79 W CA -0.113 57.240 57.345 0.014 0.000 1.206 79 W CB 2.129 31.610 29.460 0.035 0.000 1.385 79 W HN 0.516 nan 8.180 nan 0.000 0.522 80 T N 3.664 117.750 114.554 -0.779 0.000 2.893 80 T HA 0.677 2.731 4.350 -3.827 0.000 0.293 80 T C -0.853 173.167 174.700 -1.133 0.000 1.027 80 T CA -0.378 61.285 62.100 -0.729 0.000 0.988 80 T CB 2.079 70.712 68.868 -0.391 0.000 1.043 80 T HN 0.395 nan 8.240 nan 0.000 0.461 81 T N 1.313 115.390 114.554 -0.794 0.000 2.654 81 T HA 0.558 2.611 4.350 -3.827 0.000 0.289 81 T C -1.788 172.738 174.700 -0.291 0.000 1.062 81 T CA -0.582 61.127 62.100 -0.652 0.000 1.041 81 T CB 1.716 70.118 68.868 -0.776 0.000 1.417 81 T HN 0.560 nan 8.240 nan 0.000 0.510 82 Q N 1.018 120.704 119.800 -0.189 0.000 2.323 82 Q HA 0.683 2.727 4.340 -3.827 0.000 0.271 82 Q C -1.447 174.487 176.000 -0.109 0.000 1.048 82 Q CA -0.592 55.150 55.803 -0.102 0.000 0.792 82 Q CB 2.560 31.256 28.738 -0.071 0.000 1.280 82 Q HN 0.438 nan 8.270 nan 0.000 0.441 83 L N 2.310 123.489 121.223 -0.073 0.000 2.408 83 L HA 0.434 2.477 4.340 -3.827 0.000 0.268 83 L C -0.206 176.675 176.870 0.018 0.000 0.986 83 L CA -0.980 53.780 54.840 -0.133 0.000 0.820 83 L CB 2.057 43.947 42.059 -0.283 0.000 1.303 83 L HN 0.714 nan 8.230 nan 0.000 0.411 84 N N 1.385 120.106 118.700 0.035 0.000 2.492 84 N HA 0.158 2.602 4.740 -3.827 0.000 0.260 84 N C 0.901 176.500 175.510 0.148 0.000 1.215 84 N CA -0.008 53.112 53.050 0.117 0.000 0.923 84 N CB 1.447 39.992 38.487 0.098 0.000 1.092 84 N HN 0.749 nan 8.380 nan 0.000 0.448 85 A N 2.087 125.032 122.820 0.209 0.000 2.186 85 A HA -0.239 1.785 4.320 -3.827 0.000 0.219 85 A C 1.408 178.999 177.584 0.012 0.000 1.159 85 A CA 1.209 53.331 52.037 0.141 0.000 0.680 85 A CB -0.700 18.556 19.000 0.426 0.000 0.787 85 A HN 0.926 nan 8.150 nan 0.000 0.467 86 N N -2.057 116.684 118.700 0.069 0.000 2.251 86 N HA 0.014 2.458 4.740 -3.827 0.000 0.217 86 N C -0.200 175.340 175.510 0.050 0.000 1.124 86 N CA -0.473 52.598 53.050 0.035 0.000 0.843 86 N CB -0.337 38.176 38.487 0.043 0.000 1.024 86 N HN 0.597 nan 8.380 nan 0.000 0.501 87 W N 2.285 123.519 121.300 -0.110 0.000 2.315 87 W HA 0.384 2.763 4.660 -3.801 0.000 0.316 87 W C -0.022 176.414 176.519 -0.139 0.000 1.211 87 W CA -0.834 56.448 57.345 -0.104 0.000 1.201 87 W CB 0.832 30.242 29.460 -0.084 0.000 1.184 87 W HN -0.060 nan 8.180 nan 0.000 0.544 88 R N 5.082 124.996 120.500 -0.976 0.000 2.575 88 R HA 0.770 2.814 4.340 -3.827 0.000 0.293 88 R C -0.843 174.433 176.300 -1.707 0.000 0.983 88 R CA -0.482 54.991 56.100 -1.045 0.000 0.887 88 R CB 1.448 31.422 30.300 -0.543 0.000 1.184 88 R HN 0.766 nan 8.270 nan 0.000 0.445 89 G N 1.030 108.924 108.800 -1.510 0.000 2.506 89 G HA2 0.307 1.971 3.960 -3.827 0.000 0.292 89 G HA3 0.307 1.971 3.960 -3.827 0.000 0.292 89 G C -1.532 173.319 174.900 -0.082 0.000 1.425 89 G CA -0.663 43.931 45.100 -0.843 0.000 0.788 89 G HN 0.516 nan 8.290 nan 0.000 0.490 90 S N -0.994 114.755 115.700 0.081 0.000 2.672 90 S HA 0.857 3.031 4.470 -3.827 0.000 0.276 90 S C -0.855 173.918 174.600 0.289 0.000 1.207 90 S CA -0.252 58.037 58.200 0.150 0.000 1.002 90 S CB 1.054 64.258 63.200 0.008 0.000 0.998 90 S HN 1.126 nan 8.310 nan 0.000 0.542 91 Y N -1.946 118.356 120.300 0.003 0.000 2.656 91 Y HA 0.728 2.980 4.550 -3.829 0.000 0.334 91 Y C -0.824 174.968 175.900 -0.179 0.000 1.179 91 Y CA -1.763 56.323 58.100 -0.024 0.000 1.050 91 Y CB 0.199 38.671 38.460 0.021 0.000 1.308 91 Y HN 0.914 nan 8.280 nan 0.000 0.456 92 C N -0.324 118.862 119.300 -0.190 0.000 3.291 92 C HA 0.843 3.006 4.460 -3.827 0.000 0.316 92 C C -1.303 173.582 174.990 -0.175 0.000 1.391 92 C CA -1.332 57.437 59.018 -0.416 0.000 1.394 92 C CB 1.148 28.688 27.740 -0.332 0.000 1.744 92 C HN 0.906 nan 8.230 nan 0.000 0.461 93 F N 0.431 120.315 119.950 -0.111 0.000 2.507 93 F HA 0.733 2.968 4.527 -3.820 0.000 0.327 93 F C 0.311 175.962 175.800 -0.248 0.000 1.068 93 F CA -1.104 56.791 58.000 -0.174 0.000 0.965 93 F CB 1.508 40.337 39.000 -0.284 0.000 1.192 93 F HN 0.384 nan 8.300 nan 0.000 0.476 94 I N 3.499 124.069 120.570 0.000 0.000 2.668 94 I HA 0.243 2.116 4.170 -3.827 0.000 0.276 94 I C -2.722 173.248 176.117 -0.244 0.000 1.139 94 I CA -2.029 59.231 61.300 -0.067 0.000 1.133 94 I CB 0.899 38.993 38.000 0.157 0.000 1.327 94 I HN 0.136 nan 8.210 nan 0.000 0.520 95 P HA 0.178 nan 4.420 nan 0.000 0.271 95 P C -0.190 176.894 177.300 -0.361 0.000 1.216 95 P CA 0.239 62.907 63.100 -0.720 0.000 0.771 95 P CB 1.182 32.269 31.700 -1.022 0.000 0.864 96 T N 0.656 115.025 114.554 -0.308 0.000 2.853 96 T HA 0.272 2.326 4.350 -3.827 0.000 0.311 96 T C 0.438 175.081 174.700 -0.096 0.000 1.307 96 T CA -0.516 61.501 62.100 -0.138 0.000 1.019 96 T CB 1.093 69.939 68.868 -0.037 0.000 1.264 96 T HN 0.401 nan 8.240 nan 0.000 0.497 97 E N 1.108 121.283 120.200 -0.042 0.000 2.474 97 E HA 0.231 2.285 4.350 -3.827 0.000 0.194 97 E C 0.352 176.949 176.600 -0.004 0.000 1.041 97 E CA -0.286 56.108 56.400 -0.009 0.000 0.874 97 E CB 0.259 29.960 29.700 0.002 0.000 0.914 97 E HN 0.185 nan 8.360 nan 0.000 0.498 98 R N 2.283 122.777 120.500 -0.010 0.000 2.442 98 R HA 0.058 2.102 4.340 -3.827 0.000 0.291 98 R C -0.283 176.035 176.300 0.030 0.000 1.069 98 R CA 0.239 56.335 56.100 -0.007 0.000 1.022 98 R CB 0.430 30.707 30.300 -0.039 0.000 0.976 98 R HN 0.331 nan 8.270 nan 0.000 0.443 99 D N -0.057 120.360 120.400 0.029 0.000 2.563 99 D HA -0.040 2.304 4.640 -3.827 0.000 0.237 99 D C 0.276 176.607 176.300 0.052 0.000 1.282 99 D CA -0.170 53.867 54.000 0.061 0.000 0.816 99 D CB 0.155 40.984 40.800 0.048 0.000 1.066 99 D HN 0.505 nan 8.370 nan 0.000 0.501 100 D N 0.417 120.821 120.400 0.007 0.000 2.380 100 D HA 0.015 2.358 4.640 -3.827 0.000 0.212 100 D C 0.861 177.119 176.300 -0.069 0.000 1.021 100 D CA -0.175 53.812 54.000 -0.021 0.000 0.884 100 D CB 0.372 41.148 40.800 -0.040 0.000 1.001 100 D HN 0.216 nan 8.370 nan 0.000 0.506 101 I N 1.417 121.896 120.570 -0.151 0.000 2.556 101 I HA -0.026 1.847 4.170 -3.827 0.000 0.284 101 I C 0.137 176.059 176.117 -0.324 0.000 1.114 101 I CA -0.335 60.725 61.300 -0.401 0.000 1.418 101 I CB -0.004 37.591 38.000 -0.674 0.000 1.394 101 I HN -0.170 nan 8.210 nan 0.000 0.552 102 F N 3.315 123.101 119.950 -0.273 0.000 3.093 102 F HA -0.274 1.956 4.527 -3.829 0.000 0.287 102 F C 1.937 177.718 175.800 -0.033 0.000 0.882 102 F CA 0.884 58.726 58.000 -0.264 0.000 1.063 102 F CB -2.525 36.100 39.000 -0.625 0.000 1.097 102 F HN 0.658 nan 8.300 nan 0.000 0.604 103 S N -0.940 114.844 115.700 0.140 0.000 2.377 103 S HA 0.373 2.547 4.470 -3.827 0.000 0.223 103 S C 1.331 175.986 174.600 0.091 0.000 1.030 103 S CA 0.340 58.613 58.200 0.121 0.000 0.970 103 S CB -0.243 62.998 63.200 0.069 0.000 0.830 103 S HN 0.781 nan 8.310 nan 0.000 0.473 104 A N 3.702 126.560 122.820 0.064 0.000 2.477 104 A HA 0.556 2.580 4.320 -3.827 0.000 0.246 104 A C -1.452 176.154 177.584 0.038 0.000 1.078 104 A CA -1.138 50.923 52.037 0.041 0.000 0.770 104 A CB -0.807 18.207 19.000 0.024 0.000 1.011 104 A HN 0.430 nan 8.150 nan 0.000 0.494 109 R N 0.249 120.745 120.500 -0.007 0.000 2.154 109 R HA -0.121 1.923 4.340 -3.827 0.000 0.248 109 R C 1.391 177.704 176.300 0.022 0.000 1.155 109 R CA 1.560 57.664 56.100 0.007 0.000 0.979 109 R CB -0.304 29.997 30.300 0.001 0.000 0.869 109 R HN 0.442 nan 8.270 nan 0.000 0.452 110 L N 0.008 121.239 121.223 0.013 0.000 2.131 110 L HA -0.038 2.006 4.340 -3.827 0.000 0.206 110 L C 2.308 179.190 176.870 0.021 0.000 1.087 110 L CA 0.999 55.847 54.840 0.014 0.000 0.767 110 L CB -0.259 41.801 42.059 0.002 0.000 0.917 110 L HN 0.170 nan 8.230 nan 0.000 0.441 111 E N 0.123 120.335 120.200 0.020 0.000 2.051 111 E HA -0.218 1.835 4.350 -3.827 0.000 0.192 111 E C 2.019 178.676 176.600 0.096 0.000 0.991 111 E CA 1.068 57.487 56.400 0.032 0.000 0.799 111 E CB -0.245 29.473 29.700 0.031 0.000 0.748 111 E HN 0.094 nan 8.360 nan 0.000 0.449 112 L N 0.811 122.094 121.223 0.101 0.000 1.963 112 L HA -0.244 1.800 4.340 -3.827 0.000 0.220 112 L C 2.214 179.242 176.870 0.262 0.000 1.076 112 L CA 1.917 56.849 54.840 0.152 0.000 0.772 112 L CB -0.674 41.440 42.059 0.092 0.000 0.892 112 L HN 0.088 nan 8.230 nan 0.000 0.435 113 R N -1.100 119.519 120.500 0.199 0.000 2.105 113 R HA -0.165 1.879 4.340 -3.827 0.000 0.239 113 R C 2.132 178.502 176.300 0.116 0.000 1.135 113 R CA 1.125 57.337 56.100 0.188 0.000 0.967 113 R CB -0.297 30.060 30.300 0.096 0.000 0.861 113 R HN 0.398 nan 8.270 nan 0.000 0.442 114 E N -0.086 120.141 120.200 0.044 0.000 2.047 114 E HA -0.088 1.966 4.350 -3.827 0.000 0.191 114 E C 2.113 178.645 176.600 -0.114 0.000 0.987 114 E CA 1.321 57.705 56.400 -0.026 0.000 0.799 114 E CB -0.427 29.248 29.700 -0.042 0.000 0.752 114 E HN 0.446 nan 8.360 nan 0.000 0.449 115 G N 0.061 108.746 108.800 -0.191 0.000 2.491 115 G HA2 -0.266 1.398 3.960 -3.827 0.000 0.218 115 G HA3 -0.266 1.398 3.960 -3.827 0.000 0.218 115 G C 1.452 176.018 174.900 -0.558 0.000 1.180 115 G CA 0.908 45.630 45.100 -0.630 0.000 0.774 115 G HN 0.314 nan 8.290 nan 0.000 0.562 116 W N 0.118 121.387 121.300 -0.052 0.000 2.436 116 W HA 0.184 2.557 4.660 -3.813 0.000 0.284 116 W C 2.821 179.262 176.519 -0.131 0.000 1.225 116 W CA 0.344 57.653 57.345 -0.061 0.000 1.271 116 W CB 0.030 29.544 29.460 0.090 0.000 1.114 116 W HN 0.047 nan 8.180 nan 0.000 0.559 117 R N 1.350 121.911 120.500 0.102 0.000 2.091 117 R HA -0.177 1.867 4.340 -3.827 0.000 0.238 117 R C 1.807 178.082 176.300 -0.040 0.000 1.136 117 R CA 1.562 57.674 56.100 0.020 0.000 0.959 117 R CB -0.214 30.087 30.300 0.002 0.000 0.856 117 R HN 0.148 nan 8.270 nan 0.000 0.437 118 K N -0.083 120.255 120.400 -0.104 0.000 2.155 118 K HA -0.054 1.970 4.320 -3.827 0.000 0.203 118 K C 2.052 178.564 176.600 -0.147 0.000 1.052 118 K CA 0.978 57.180 56.287 -0.142 0.000 0.948 118 K CB 0.089 32.464 32.500 -0.208 0.000 0.728 118 K HN 0.210 nan 8.250 nan 0.000 0.448 119 L N 0.344 121.469 121.223 -0.164 0.000 2.168 119 L HA -0.028 2.015 4.340 -3.827 0.000 0.203 119 L C 2.122 178.949 176.870 -0.073 0.000 1.078 119 L CA 0.435 55.197 54.840 -0.129 0.000 0.780 119 L CB -0.265 41.680 42.059 -0.190 0.000 0.939 119 L HN 0.113 nan 8.230 nan 0.000 0.451 120 L N 0.270 121.459 121.223 -0.056 0.000 2.137 120 L HA -0.197 1.847 4.340 -3.827 0.000 0.213 120 L C -0.318 176.446 176.870 -0.176 0.000 1.085 120 L CA 1.396 56.131 54.840 -0.176 0.000 0.760 120 L CB -1.634 40.328 42.059 -0.162 0.000 0.893 120 L HN 0.231 nan 8.230 nan 0.000 0.434 121 P HA -0.195 nan 4.420 nan 0.000 0.219 121 P C 0.943 178.189 177.300 -0.090 0.000 1.146 121 P CA 1.293 64.353 63.100 -0.066 0.000 0.808 121 P CB -0.013 31.658 31.700 -0.048 0.000 0.779 122 Q N -1.202 118.531 119.800 -0.113 0.000 2.320 122 Q HA 0.295 2.339 4.340 -3.827 0.000 0.201 122 Q C 0.483 176.386 176.000 -0.162 0.000 0.910 122 Q CA -0.418 55.318 55.803 -0.112 0.000 0.946 122 Q CB 0.134 28.816 28.738 -0.093 0.000 1.062 122 Q HN 0.112 nan 8.270 nan 0.000 0.503 123 A N 2.004 124.668 122.820 -0.260 0.000 2.440 123 A HA 0.459 2.483 4.320 -3.827 0.000 0.251 123 A C 0.144 177.560 177.584 -0.281 0.000 1.089 123 A CA -0.314 51.494 52.037 -0.382 0.000 0.779 123 A CB -0.062 18.413 19.000 -0.874 0.000 1.022 123 A HN 0.472 nan 8.150 nan 0.000 0.492 124 I N -0.943 119.493 120.570 -0.223 0.000 2.892 124 I HA 0.838 2.711 4.170 -3.827 0.000 0.306 124 I C 0.234 176.218 176.117 -0.222 0.000 1.078 124 I CA -1.215 59.994 61.300 -0.151 0.000 1.032 124 I CB 2.041 40.008 38.000 -0.055 0.000 1.229 124 I HN 0.636 nan 8.210 nan 0.000 0.435 125 A N 1.984 124.676 122.820 -0.214 0.000 2.313 125 A HA 0.207 2.231 4.320 -3.827 0.000 0.261 125 A C -0.243 177.198 177.584 -0.239 0.000 1.090 125 A CA -0.201 51.635 52.037 -0.334 0.000 0.807 125 A CB 0.232 19.052 19.000 -0.300 0.000 1.055 125 A HN 0.830 nan 8.150 nan 0.000 0.492 126 D N 0.878 121.068 120.400 -0.350 0.000 2.349 126 D HA 0.213 2.557 4.640 -3.827 0.000 0.266 126 D C -1.637 174.757 176.300 0.157 0.000 1.293 126 D CA -1.637 52.350 54.000 -0.022 0.000 0.926 126 D CB 0.862 41.709 40.800 0.079 0.000 1.090 126 D HN 0.084 nan 8.370 nan 0.000 0.502 127 P HA -0.070 nan 4.420 nan 0.000 0.221 127 P C 1.027 178.435 177.300 0.181 0.000 1.145 127 P CA 0.897 64.109 63.100 0.186 0.000 0.795 127 P CB 0.219 32.035 31.700 0.194 0.000 0.775 128 L N -2.513 118.865 121.223 0.258 0.000 2.607 128 L HA 0.186 2.230 4.340 -3.827 0.000 0.228 128 L C 0.803 177.841 176.870 0.280 0.000 1.123 128 L CA -0.071 54.920 54.840 0.252 0.000 0.890 128 L CB -0.375 41.856 42.059 0.287 0.000 1.103 128 L HN -0.087 nan 8.230 nan 0.000 0.468 129 N N 1.029 119.890 118.700 0.269 0.000 2.457 129 N HA 0.205 2.649 4.740 -3.827 0.000 0.250 129 N C -2.031 173.587 175.510 0.181 0.000 0.982 129 N CA -2.102 51.105 53.050 0.262 0.000 0.941 129 N CB 1.812 40.487 38.487 0.312 0.000 1.120 129 N HN -0.194 nan 8.380 nan 0.000 0.505 130 P HA -0.036 nan 4.420 nan 0.000 0.223 130 P C -0.039 177.342 177.300 0.135 0.000 1.151 130 P CA 0.940 64.120 63.100 0.133 0.000 0.787 130 P CB 0.307 32.077 31.700 0.117 0.000 0.788 131 Q N 0.302 120.203 119.800 0.169 0.000 3.184 131 Q HA 0.231 2.275 4.340 -3.827 0.000 0.288 131 Q C -0.378 175.791 176.000 0.282 0.000 1.412 131 Q CA 0.249 56.180 55.803 0.214 0.000 0.991 131 Q CB -0.283 28.587 28.738 0.221 0.000 1.688 131 Q HN 0.153 nan 8.270 nan 0.000 0.554 132 S N 0.734 116.565 115.700 0.218 0.000 2.599 132 S HA 0.774 2.948 4.470 -3.827 0.000 0.294 132 S C -1.005 173.729 174.600 0.223 0.000 1.094 132 S CA -0.777 57.466 58.200 0.072 0.000 0.931 132 S CB 1.352 64.496 63.200 -0.095 0.000 1.093 132 S HN 0.567 nan 8.310 nan 0.000 0.488 133 W N 0.418 121.626 121.300 -0.152 0.000 2.895 133 W HA 0.547 2.895 4.660 -3.854 0.000 0.377 133 W C -1.948 174.467 176.519 -0.173 0.000 1.191 133 W CA -1.081 56.150 57.345 -0.191 0.000 1.179 133 W CB 0.324 29.608 29.460 -0.293 0.000 1.469 133 W HN 0.513 nan 8.180 nan 0.000 0.577 134 K N 1.776 122.178 120.400 0.004 0.000 2.291 134 K HA 0.657 2.680 4.320 -3.827 0.000 0.242 134 K C -0.223 176.417 176.600 0.066 0.000 1.098 134 K CA -0.356 55.886 56.287 -0.074 0.000 1.036 134 K CB 0.875 33.353 32.500 -0.037 0.000 1.655 134 K HN 0.782 nan 8.250 nan 0.000 0.432 135 G N 0.560 109.341 108.800 -0.032 0.000 2.571 135 G HA2 0.738 2.402 3.960 -3.827 0.000 0.304 135 G HA3 0.738 2.402 3.960 -3.827 0.000 0.304 135 G C -0.300 174.539 174.900 -0.101 0.000 1.314 135 G CA -0.331 44.920 45.100 0.252 0.000 0.975 135 G HN 0.706 nan 8.290 nan 0.000 0.485 136 G N -0.534 108.211 108.800 -0.092 0.000 2.301 136 G HA2 -0.057 1.606 3.960 -3.827 0.000 0.194 136 G HA3 -0.057 1.606 3.960 -3.827 0.000 0.194 136 G C 0.905 175.677 174.900 -0.214 0.000 1.266 136 G CA -0.030 44.933 45.100 -0.229 0.000 1.210 136 G HN 1.100 nan 8.290 nan 0.000 0.524 137 L N 0.736 121.778 121.223 -0.301 0.000 2.072 137 L HA 0.457 2.500 4.340 -3.827 0.000 0.205 137 L C 1.962 178.739 176.870 -0.155 0.000 1.079 137 L CA 1.603 56.336 54.840 -0.177 0.000 0.752 137 L CB -0.338 41.642 42.059 -0.132 0.000 0.906 137 L HN 1.625 nan 8.230 nan 0.000 0.436 138 G N -0.769 107.883 108.800 -0.247 0.000 4.665 138 G HA2 0.266 1.930 3.960 -3.827 0.000 0.227 138 G HA3 0.266 1.930 3.960 -3.827 0.000 0.227 138 G C -0.753 174.100 174.900 -0.078 0.000 2.385 138 G CA -0.269 44.757 45.100 -0.124 0.000 0.869 138 G HN 0.533 nan 8.290 nan 0.000 0.344 139 H N -2.000 117.001 119.070 -0.116 0.000 3.037 139 H HA 0.822 3.087 4.556 -3.819 0.000 0.336 139 H C -0.054 175.142 175.328 -0.220 0.000 1.323 139 H CA -0.546 55.411 56.048 -0.152 0.000 1.159 139 H CB 0.769 30.431 29.762 -0.166 0.000 1.882 139 H HN 0.526 nan 8.280 nan 0.000 0.535 140 A N 1.071 123.873 122.820 -0.029 0.000 2.445 140 A HA 0.579 2.603 4.320 -3.827 0.000 0.242 140 A C 0.306 177.705 177.584 -0.309 0.000 1.075 140 A CA 0.296 52.194 52.037 -0.230 0.000 0.777 140 A CB -0.216 18.658 19.000 -0.209 0.000 1.013 140 A HN 1.285 nan 8.150 nan 0.000 0.493 141 V N -0.826 118.662 119.914 -0.710 0.000 3.141 141 V HA 0.915 2.739 4.120 -3.827 0.000 0.312 141 V C -0.050 175.354 176.094 -1.149 0.000 1.157 141 V CA -0.603 61.193 62.300 -0.839 0.000 1.041 141 V CB 1.631 33.003 31.823 -0.751 0.000 1.071 141 V HN 0.854 nan 8.190 nan 0.000 0.441 142 S N 0.283 115.354 115.700 -1.049 0.000 2.600 142 S HA 0.897 3.070 4.470 -3.827 0.000 0.300 142 S C -0.120 174.280 174.600 -0.333 0.000 1.087 142 S CA -0.134 57.600 58.200 -0.777 0.000 0.965 142 S CB 1.720 64.385 63.200 -0.892 0.000 1.089 142 S HN 1.523 nan 8.310 nan 0.000 0.496 143 A N 1.862 124.783 122.820 0.169 0.000 2.309 143 A HA 0.745 2.768 4.320 -3.827 0.000 0.298 143 A C -0.877 176.944 177.584 0.395 0.000 1.165 143 A CA -0.436 51.806 52.037 0.342 0.000 0.821 143 A CB 0.161 19.358 19.000 0.327 0.000 1.102 143 A HN 0.782 nan 8.150 nan 0.000 0.500 144 L N 2.519 123.935 121.223 0.323 0.000 2.406 144 L HA 0.414 2.458 4.340 -3.827 0.000 0.270 144 L C -1.033 175.842 176.870 0.009 0.000 0.982 144 L CA -0.105 54.876 54.840 0.235 0.000 0.843 144 L CB 1.476 43.815 42.059 0.467 0.000 1.225 144 L HN 0.894 nan 8.230 nan 0.000 0.412 145 E N 5.279 125.380 120.200 -0.164 0.000 2.185 145 E HA 0.410 2.463 4.350 -3.827 0.000 0.261 145 E C -0.726 175.627 176.600 -0.412 0.000 0.879 145 E CA -0.861 55.395 56.400 -0.241 0.000 0.756 145 E CB 2.395 31.992 29.700 -0.171 0.000 1.152 145 E HN 0.404 nan 8.360 nan 0.000 0.416 146 M N 2.702 122.084 119.600 -0.364 0.000 2.241 146 M HA 0.154 2.337 4.480 -3.827 0.000 0.335 146 M C -1.647 174.422 176.300 -0.385 0.000 1.122 146 M CA -2.432 52.532 55.300 -0.560 0.000 1.164 146 M CB -0.101 32.255 32.600 -0.408 0.000 1.459 146 M HN 0.191 nan 8.290 nan 0.000 0.461 147 P HA -0.133 nan 4.420 nan 0.000 0.218 147 P C 0.500 177.775 177.300 -0.042 0.000 1.146 147 P CA 1.452 64.484 63.100 -0.112 0.000 0.813 147 P CB 0.189 31.885 31.700 -0.007 0.000 0.778 148 Q N -1.495 118.268 119.800 -0.062 0.000 2.198 148 Q HA 0.331 2.375 4.340 -3.827 0.000 0.209 148 Q C 0.395 176.381 176.000 -0.022 0.000 0.848 148 Q CA -0.525 55.280 55.803 0.004 0.000 0.974 148 Q CB 0.329 29.105 28.738 0.063 0.000 1.115 148 Q HN 0.102 nan 8.270 nan 0.000 0.494 149 A N 3.065 125.843 122.820 -0.069 0.000 2.520 149 A HA 0.204 2.228 4.320 -3.827 0.000 0.235 149 A C -1.976 175.570 177.584 -0.063 0.000 1.065 149 A CA -0.946 51.039 52.037 -0.086 0.000 0.764 149 A CB -0.312 18.601 19.000 -0.145 0.000 1.002 149 A HN 0.067 nan 8.150 nan 0.000 0.502 150 P HA 0.094 nan 4.420 nan 0.000 0.265 150 P C -0.424 176.851 177.300 -0.043 0.000 1.193 150 P CA 0.237 63.309 63.100 -0.047 0.000 0.765 150 P CB 0.252 31.916 31.700 -0.059 0.000 0.823 151 L N 2.768 123.980 121.223 -0.018 0.000 2.485 151 L HA 0.037 2.080 4.340 -3.827 0.000 0.275 151 L C 1.195 178.067 176.870 0.003 0.000 1.207 151 L CA 0.500 55.340 54.840 -0.000 0.000 0.855 151 L CB -0.312 41.754 42.059 0.012 0.000 1.114 151 L HN 0.317 nan 8.230 nan 0.000 0.485 152 Q N 3.810 123.632 119.800 0.036 0.000 2.363 152 Q HA 0.325 2.369 4.340 -3.827 0.000 0.265 152 Q C -2.371 173.726 176.000 0.161 0.000 1.032 152 Q CA -2.131 53.722 55.803 0.082 0.000 0.746 152 Q CB 1.704 30.475 28.738 0.054 0.000 1.237 152 Q HN 0.316 nan 8.270 nan 0.000 0.475 153 P HA -0.123 nan 4.420 nan 0.000 0.261 153 P C 0.895 178.221 177.300 0.044 0.000 1.173 153 P CA 1.375 64.512 63.100 0.061 0.000 0.760 153 P CB 0.637 32.353 31.700 0.028 0.000 0.783 154 G N 2.200 110.979 108.800 -0.035 0.000 2.640 154 G HA2 -0.318 1.346 3.960 -3.827 0.000 0.226 154 G HA3 -0.318 1.346 3.960 -3.827 0.000 0.226 154 G C 0.956 175.729 174.900 -0.211 0.000 1.222 154 G CA 0.188 45.180 45.100 -0.181 0.000 0.729 154 G HN 0.470 nan 8.290 nan 0.000 0.516 155 W N 1.895 123.157 121.300 -0.064 0.000 2.374 155 W HA 0.180 2.577 4.660 -3.773 0.000 0.288 155 W C 2.177 178.669 176.519 -0.045 0.000 1.218 155 W CA 1.161 58.467 57.345 -0.066 0.000 1.245 155 W CB -0.135 29.278 29.460 -0.079 0.000 1.126 155 W HN 0.253 nan 8.180 nan 0.000 0.545 156 D N -1.399 119.093 120.400 0.152 0.000 2.219 156 D HA -0.079 2.265 4.640 -3.827 0.000 0.205 156 D C 0.454 176.786 176.300 0.053 0.000 0.970 156 D CA 1.023 55.078 54.000 0.091 0.000 0.851 156 D CB -0.139 40.700 40.800 0.065 0.000 0.943 156 D HN 0.057 nan 8.370 nan 0.000 0.488 157 C N 1.825 121.138 119.300 0.022 0.000 3.493 157 C HA 0.315 2.479 4.460 -3.827 0.000 0.228 157 C C -2.604 172.367 174.990 -0.030 0.000 1.227 157 C CA -1.623 57.398 59.018 0.005 0.000 1.291 157 C CB -0.298 27.448 27.740 0.010 0.000 1.820 157 C HN -0.052 nan 8.230 nan 0.000 0.547 158 P HA 0.279 nan 4.420 nan 0.000 0.275 158 P C -1.101 176.175 177.300 -0.041 0.000 1.228 158 P CA 0.403 63.446 63.100 -0.095 0.000 0.786 158 P CB 0.515 32.159 31.700 -0.093 0.000 0.927 159 Q N 1.623 121.398 119.800 -0.042 0.000 2.290 159 Q HA 0.612 2.655 4.340 -3.827 0.000 0.269 159 Q C -1.078 174.945 176.000 0.038 0.000 1.016 159 Q CA -0.866 54.953 55.803 0.026 0.000 0.754 159 Q CB 1.244 30.034 28.738 0.087 0.000 1.247 159 Q HN 0.532 nan 8.270 nan 0.000 0.451 160 A N 5.146 127.999 122.820 0.056 0.000 2.511 160 A HA 0.440 2.464 4.320 -3.827 0.000 0.242 160 A C -2.230 175.427 177.584 0.122 0.000 1.069 160 A CA -0.789 51.294 52.037 0.077 0.000 0.763 160 A CB -0.279 18.760 19.000 0.065 0.000 1.001 160 A HN 0.608 nan 8.150 nan 0.000 0.498 161 P HA 0.203 nan 4.420 nan 0.000 0.274 161 P C 0.530 177.911 177.300 0.136 0.000 1.246 161 P CA -0.378 62.840 63.100 0.197 0.000 0.795 161 P CB 0.792 32.688 31.700 0.325 0.000 1.006 162 E N 0.312 120.583 120.200 0.118 0.000 2.086 162 E HA 0.025 2.079 4.350 -3.827 0.000 0.190 162 E C 0.184 176.814 176.600 0.050 0.000 0.975 162 E CA 0.511 56.953 56.400 0.070 0.000 0.813 162 E CB 0.093 29.824 29.700 0.052 0.000 0.768 162 E HN 0.376 nan 8.360 nan 0.000 0.457 163 I N 2.802 123.399 120.570 0.045 0.000 2.359 163 I HA 0.289 2.162 4.170 -3.827 0.000 0.294 163 I C -2.227 173.923 176.117 0.055 0.000 0.987 163 I CA -2.370 58.941 61.300 0.019 0.000 1.225 163 I CB 1.380 39.367 38.000 -0.022 0.000 1.366 163 I HN -0.029 nan 8.210 nan 0.000 0.466 164 P HA 0.294 nan 4.420 nan 0.000 0.279 164 P C -0.618 176.669 177.300 -0.021 0.000 1.252 164 P CA -0.503 62.576 63.100 -0.035 0.000 0.811 164 P CB 0.731 32.386 31.700 -0.074 0.000 1.035 165 A N 1.770 124.463 122.820 -0.212 0.000 2.445 165 A HA 0.207 2.231 4.320 -3.827 0.000 0.242 165 A C 0.313 177.875 177.584 -0.036 0.000 1.075 165 A CA 0.061 52.020 52.037 -0.129 0.000 0.777 165 A CB -0.194 18.324 19.000 -0.803 0.000 1.013 165 A HN 0.374 nan 8.150 nan 0.000 0.493 166 K N 1.631 122.068 120.400 0.061 0.000 2.253 166 K HA 0.187 2.211 4.320 -3.827 0.000 0.277 166 K C -0.569 176.059 176.600 0.047 0.000 1.053 166 K CA -0.047 56.267 56.287 0.046 0.000 0.892 166 K CB 0.843 33.363 32.500 0.033 0.000 1.102 166 K HN 0.874 nan 8.250 nan 0.000 0.469 167 E N 5.801 125.995 120.200 -0.010 0.000 2.174 167 E HA 0.263 2.317 4.350 -3.827 0.000 0.282 167 E C -0.293 176.197 176.600 -0.183 0.000 0.992 167 E CA -0.542 55.726 56.400 -0.220 0.000 0.803 167 E CB 0.737 30.287 29.700 -0.249 0.000 1.090 167 E HN 0.589 nan 8.360 nan 0.000 0.396 168 I N 0.900 121.336 120.570 -0.223 0.000 3.067 168 I HA 0.498 2.371 4.170 -3.827 0.000 0.312 168 I C -0.803 175.234 176.117 -0.133 0.000 1.073 168 I CA -1.234 59.992 61.300 -0.123 0.000 1.016 168 I CB 1.721 39.687 38.000 -0.057 0.000 1.227 168 I HN 0.336 nan 8.210 nan 0.000 0.456 169 I N 3.030 123.567 120.570 -0.054 0.000 2.312 169 I HA 0.160 2.033 4.170 -3.827 0.000 0.290 169 I C -1.063 175.107 176.117 0.088 0.000 1.008 169 I CA -0.089 61.197 61.300 -0.022 0.000 1.226 169 I CB 0.975 38.957 38.000 -0.029 0.000 1.371 169 I HN 0.738 nan 8.210 nan 0.000 0.468 170 W N 8.915 130.155 121.300 -0.100 0.000 2.316 170 W HA 0.302 2.663 4.660 -3.832 0.000 0.339 170 W C 0.101 176.583 176.519 -0.062 0.000 1.002 170 W CA -1.241 56.060 57.345 -0.073 0.000 1.465 170 W CB 0.423 29.840 29.460 -0.072 0.000 1.300 170 W HN 0.418 nan 8.180 nan 0.000 0.378 171 K N 5.094 125.469 120.400 -0.042 0.000 2.285 171 K HA 0.246 2.270 4.320 -3.827 0.000 0.286 171 K C -0.414 176.021 176.600 -0.276 0.000 1.072 171 K CA -0.054 56.115 56.287 -0.195 0.000 0.913 171 K CB 0.851 33.307 32.500 -0.073 0.000 1.067 171 K HN 0.333 nan 8.250 nan 0.000 0.479 172 S N 3.408 118.801 115.700 -0.510 0.000 2.438 172 S HA 0.042 2.216 4.470 -3.827 0.000 0.293 172 S C 0.919 175.414 174.600 -0.175 0.000 1.141 172 S CA -0.483 57.446 58.200 -0.451 0.000 1.080 172 S CB 1.317 64.042 63.200 -0.792 0.000 0.978 172 S HN 0.834 nan 8.310 nan 0.000 0.479 173 E N 4.128 124.301 120.200 -0.045 0.000 2.047 173 E HA -0.157 1.897 4.350 -3.827 0.000 0.191 173 E C 2.060 178.645 176.600 -0.025 0.000 0.987 173 E CA 0.887 57.275 56.400 -0.019 0.000 0.799 173 E CB -0.042 29.671 29.700 0.021 0.000 0.752 173 E HN 0.755 nan 8.360 nan 0.000 0.449 174 R N 0.188 120.681 120.500 -0.012 0.000 2.093 174 R HA -0.029 2.015 4.340 -3.827 0.000 0.224 174 R C 2.157 178.439 176.300 -0.030 0.000 1.101 174 R CA 0.817 56.915 56.100 -0.003 0.000 0.979 174 R CB -0.012 30.305 30.300 0.029 0.000 0.877 174 R HN 0.243 nan 8.270 nan 0.000 0.441 175 L N 0.874 122.046 121.223 -0.084 0.000 2.567 175 L HA 0.116 2.160 4.340 -3.827 0.000 0.225 175 L C 0.296 177.111 176.870 -0.091 0.000 1.119 175 L CA 0.124 54.909 54.840 -0.092 0.000 0.871 175 L CB 0.116 42.078 42.059 -0.161 0.000 1.036 175 L HN 0.103 nan 8.230 nan 0.000 0.459 176 K N 1.913 122.251 120.400 -0.103 0.000 3.077 176 K HA -0.196 1.827 4.320 -3.827 0.000 0.264 176 K C -0.757 175.789 176.600 -0.091 0.000 1.008 176 K CA 0.763 57.001 56.287 -0.082 0.000 0.740 176 K CB -1.960 30.514 32.500 -0.043 0.000 1.273 176 K HN 0.687 nan 8.250 nan 0.000 0.477 177 N N -2.249 116.350 118.700 -0.169 0.000 2.732 177 N HA 0.449 2.892 4.740 -3.827 0.000 0.259 177 N C -1.144 174.198 175.510 -0.280 0.000 1.402 177 N CA -0.888 52.054 53.050 -0.181 0.000 0.829 177 N CB 1.359 39.757 38.487 -0.149 0.000 1.495 177 N HN -0.096 nan 8.380 nan 0.000 0.511 178 S N -0.665 114.898 115.700 -0.229 0.000 2.578 178 S HA 0.845 3.019 4.470 -3.827 0.000 0.301 178 S C -0.704 173.773 174.600 -0.205 0.000 1.091 178 S CA -0.964 57.103 58.200 -0.222 0.000 1.032 178 S CB 0.926 64.046 63.200 -0.134 0.000 1.064 178 S HN 0.777 nan 8.310 nan 0.000 0.508 179 R N 0.798 121.206 120.500 -0.154 0.000 2.663 179 R HA 0.457 2.501 4.340 -3.827 0.000 0.267 179 R C -1.621 174.648 176.300 -0.052 0.000 1.038 179 R CA -1.022 55.028 56.100 -0.083 0.000 0.886 179 R CB 1.074 31.346 30.300 -0.048 0.000 1.249 179 R HN 0.508 nan 8.270 nan 0.000 0.463 180 R N 0.796 121.227 120.500 -0.114 0.000 2.594 180 R HA 0.472 2.516 4.340 -3.827 0.000 0.272 180 R C -0.451 175.608 176.300 -0.401 0.000 1.074 180 R CA -0.390 55.488 56.100 -0.370 0.000 1.105 180 R CB 1.172 31.088 30.300 -0.639 0.000 1.008 180 R HN 0.353 nan 8.270 nan 0.000 0.472 181 V N 2.470 122.088 119.914 -0.494 0.000 2.709 181 V HA 0.369 2.193 4.120 -3.827 0.000 0.308 181 V C -0.812 175.078 176.094 -0.340 0.000 1.062 181 V CA -0.920 61.239 62.300 -0.235 0.000 0.901 181 V CB 2.033 33.857 31.823 0.003 0.000 1.003 181 V HN 0.681 nan 8.190 nan 0.000 0.425 182 W N 4.847 126.270 121.300 0.205 0.000 2.417 182 W HA 0.670 3.040 4.660 -3.816 0.000 0.315 182 W C -0.835 175.832 176.519 0.247 0.000 1.045 182 W CA -0.582 56.905 57.345 0.237 0.000 1.221 182 W CB 1.853 31.551 29.460 0.396 0.000 1.309 182 W HN 0.400 nan 8.180 nan 0.000 0.453 183 I N 3.887 124.668 120.570 0.351 0.000 2.378 183 I HA 0.429 2.302 4.170 -3.827 0.000 0.291 183 I C -0.811 175.511 176.117 0.341 0.000 0.992 183 I CA -0.708 60.771 61.300 0.299 0.000 1.154 183 I CB 1.368 39.462 38.000 0.157 0.000 1.315 183 I HN 0.179 nan 8.210 nan 0.000 0.448 184 F N 5.308 125.397 119.950 0.232 0.000 2.573 184 F HA 0.551 2.784 4.527 -3.823 0.000 0.316 184 F C -0.347 175.616 175.800 0.273 0.000 1.148 184 F CA -0.234 57.876 58.000 0.184 0.000 0.940 184 F CB 1.852 41.006 39.000 0.257 0.000 1.214 184 F HN 0.414 nan 8.300 nan 0.000 0.448 185 T N 3.369 117.685 114.554 -0.398 0.000 2.932 185 T HA 0.782 2.836 4.350 -3.827 0.000 0.289 185 T C -0.399 174.004 174.700 -0.494 0.000 1.039 185 T CA 0.032 61.968 62.100 -0.274 0.000 1.024 185 T CB 1.497 70.281 68.868 -0.139 0.000 1.090 185 T HN 0.843 nan 8.240 nan 0.000 0.496 193 E N 0.282 120.433 120.200 -0.082 0.000 2.868 193 E HA -0.199 1.855 4.350 -3.827 0.000 0.278 193 E C -0.852 175.686 176.600 -0.103 0.000 1.009 193 E CA 0.820 57.168 56.400 -0.086 0.000 0.856 193 E CB -0.941 28.704 29.700 -0.092 0.000 1.428 193 E HN 0.350 nan 8.360 nan 0.000 0.423 194 R N 1.384 121.826 120.500 -0.095 0.000 2.491 194 R HA 0.166 2.209 4.340 -3.827 0.000 0.283 194 R C -1.972 174.261 176.300 -0.113 0.000 1.072 194 R CA -1.128 54.881 56.100 -0.151 0.000 1.048 194 R CB 0.283 30.503 30.300 -0.133 0.000 0.983 194 R HN -0.030 nan 8.270 nan 0.000 0.450 195 P HA -0.068 nan 4.420 nan 0.000 0.269 195 P C -0.824 176.449 177.300 -0.044 0.000 1.209 195 P CA -0.151 62.872 63.100 -0.128 0.000 0.776 195 P CB 0.669 32.110 31.700 -0.433 0.000 0.876 196 L N 2.566 123.829 121.223 0.067 0.000 2.325 196 L HA 0.676 2.719 4.340 -3.827 0.000 0.279 196 L C -0.665 176.262 176.870 0.095 0.000 1.054 196 L CA -0.489 54.292 54.840 -0.098 0.000 0.804 196 L CB 1.093 42.882 42.059 -0.450 0.000 1.200 196 L HN 0.487 nan 8.230 nan 0.000 0.436 197 A N 4.877 127.706 122.820 0.015 0.000 2.357 197 A HA 0.677 2.701 4.320 -3.827 0.000 0.295 197 A C -1.362 176.287 177.584 0.109 0.000 1.121 197 A CA -0.547 51.537 52.037 0.078 0.000 0.742 197 A CB 1.226 20.281 19.000 0.092 0.000 1.181 197 A HN 0.489 nan 8.150 nan 0.000 0.454 198 V N 4.107 124.090 119.914 0.114 0.000 2.383 198 V HA 0.361 2.185 4.120 -3.827 0.000 0.275 198 V C -0.177 176.004 176.094 0.147 0.000 1.036 198 V CA -0.219 62.170 62.300 0.148 0.000 0.889 198 V CB 0.987 32.916 31.823 0.178 0.000 0.985 198 V HN 0.718 nan 8.190 nan 0.000 0.459 199 L N 6.305 127.638 121.223 0.184 0.000 2.298 199 L HA 0.542 2.585 4.340 -3.827 0.000 0.284 199 L C -0.137 176.867 176.870 0.223 0.000 1.013 199 L CA -0.422 54.513 54.840 0.157 0.000 0.824 199 L CB 1.498 43.630 42.059 0.123 0.000 1.221 199 L HN 0.449 nan 8.230 nan 0.000 0.418 200 L N 2.475 123.815 121.223 0.195 0.000 2.475 200 L HA 0.211 2.254 4.340 -3.827 0.000 0.253 200 L C 0.508 177.520 176.870 0.237 0.000 1.198 200 L CA -0.393 54.560 54.840 0.189 0.000 0.814 200 L CB 0.195 42.322 42.059 0.115 0.000 1.134 200 L HN 0.653 nan 8.230 nan 0.000 0.478 201 D N 1.064 121.569 120.400 0.177 0.000 2.751 201 D HA -0.167 2.176 4.640 -3.827 0.000 0.233 201 D C 1.240 177.676 176.300 0.227 0.000 1.149 201 D CA 0.937 55.030 54.000 0.156 0.000 0.682 201 D CB -0.905 39.931 40.800 0.060 0.000 1.068 201 D HN 0.971 nan 8.370 nan 0.000 0.429 202 G N 1.219 110.201 108.800 0.303 0.000 2.450 202 G HA2 -0.316 1.348 3.960 -3.827 0.000 0.220 202 G HA3 -0.316 1.348 3.960 -3.827 0.000 0.220 202 G C 1.454 176.371 174.900 0.027 0.000 1.130 202 G CA 1.165 46.456 45.100 0.319 0.000 0.760 202 G HN 0.541 nan 8.290 nan 0.000 0.557 203 E N 0.164 120.425 120.200 0.103 0.000 2.153 203 E HA -0.188 1.866 4.350 -3.827 0.000 0.194 203 E C 2.122 178.572 176.600 -0.251 0.000 0.988 203 E CA 0.765 57.084 56.400 -0.135 0.000 0.811 203 E CB -0.653 29.172 29.700 0.209 0.000 0.746 203 E HN 0.450 nan 8.360 nan 0.000 0.466 204 F N 0.504 120.248 119.950 -0.342 0.000 2.084 204 F HA -0.079 2.236 4.527 -3.687 0.000 0.296 204 F C 1.866 177.258 175.800 -0.680 0.000 1.111 204 F CA 1.703 59.368 58.000 -0.558 0.000 1.224 204 F CB -0.347 38.191 39.000 -0.768 0.000 0.991 204 F HN -0.053 nan 8.300 nan 0.000 0.471 205 W N -0.298 120.992 121.300 -0.016 0.000 2.595 205 W HA 0.076 2.346 4.660 -3.983 0.000 0.257 205 W C 2.221 178.350 176.519 -0.650 0.000 1.267 205 W CA 0.639 57.849 57.345 -0.225 0.000 1.300 205 W CB -0.438 28.936 29.460 -0.142 0.000 1.120 205 W HN 0.073 nan 8.180 nan 0.000 0.618 206 A N -0.550 121.923 122.820 -0.578 0.000 1.997 206 A HA -0.016 2.007 4.320 -3.827 0.000 0.212 206 A C 1.847 179.104 177.584 -0.546 0.000 1.178 206 A CA 0.911 52.453 52.037 -0.824 0.000 0.698 206 A CB -0.019 18.153 19.000 -1.380 0.000 0.842 206 A HN 0.319 nan 8.150 nan 0.000 0.458 207 Q N -1.804 117.696 119.800 -0.500 0.000 2.477 207 Q HA 0.152 2.195 4.340 -3.827 0.000 0.252 207 Q C 1.984 177.768 176.000 -0.359 0.000 0.869 207 Q CA 0.729 56.344 55.803 -0.314 0.000 0.969 207 Q CB 0.630 29.246 28.738 -0.204 0.000 1.144 207 Q HN 0.514 nan 8.270 nan 0.000 0.577 208 S N 0.362 115.698 115.700 -0.605 0.000 2.371 208 S HA 0.186 2.360 4.470 -3.827 0.000 0.219 208 S C 0.854 174.963 174.600 -0.819 0.000 1.040 208 S CA 0.721 58.457 58.200 -0.772 0.000 0.958 208 S CB 0.325 62.712 63.200 -1.354 0.000 0.860 208 S HN 0.215 nan 8.310 nan 0.000 0.487 209 M N 2.101 121.158 119.600 -0.905 0.000 2.066 209 M HA 0.332 2.515 4.480 -3.827 0.000 0.264 209 M C -2.992 173.210 176.300 -0.163 0.000 0.886 209 M CA -1.972 53.064 55.300 -0.441 0.000 0.810 209 M CB 1.588 33.936 32.600 -0.419 0.000 1.451 209 M HN -0.154 nan 8.290 nan 0.000 0.373 210 P HA -0.066 nan 4.420 nan 0.000 0.260 210 P C 0.994 177.844 177.300 -0.750 0.000 1.185 210 P CA 0.126 62.806 63.100 -0.700 0.000 0.763 210 P CB 0.442 31.832 31.700 -0.517 0.000 0.776 211 V N 0.380 119.676 119.914 -1.029 0.000 3.623 211 V HA -0.040 1.783 4.120 -3.827 0.000 0.271 211 V C 1.359 176.962 176.094 -0.818 0.000 1.248 211 V CA 0.210 62.022 62.300 -0.814 0.000 1.156 211 V CB -1.596 29.867 31.823 -0.599 0.000 0.870 211 V HN 0.460 nan 8.190 nan 0.000 0.453 212 W N 1.383 122.325 121.300 -0.597 0.000 2.315 212 W HA -0.065 2.312 4.660 -3.806 0.000 0.323 212 W C -0.034 176.225 176.519 -0.434 0.000 1.233 212 W CA 1.433 58.304 57.345 -0.790 0.000 1.267 212 W CB -2.278 26.740 29.460 -0.736 0.000 1.160 212 W HN 0.325 nan 8.180 nan 0.000 0.474 213 P HA -0.120 nan 4.420 nan 0.000 0.221 213 P C 1.533 178.677 177.300 -0.261 0.000 1.150 213 P CA 1.403 64.424 63.100 -0.132 0.000 0.800 213 P CB -0.139 31.486 31.700 -0.124 0.000 0.787 214 V N -0.559 119.062 119.914 -0.488 0.000 2.346 214 V HA -0.162 1.662 4.120 -3.827 0.000 0.244 214 V C 2.417 178.267 176.094 -0.407 0.000 1.037 214 V CA 1.456 63.373 62.300 -0.638 0.000 1.029 214 V CB -1.271 29.776 31.823 -1.294 0.000 0.663 214 V HN 0.029 nan 8.190 nan 0.000 0.454 215 L N -0.178 120.834 121.223 -0.352 0.000 2.083 215 L HA -0.150 1.894 4.340 -3.827 0.000 0.209 215 L C 2.643 179.469 176.870 -0.074 0.000 1.083 215 L CA 1.726 56.456 54.840 -0.184 0.000 0.752 215 L CB -1.064 40.846 42.059 -0.248 0.000 0.899 215 L HN 0.348 nan 8.230 nan 0.000 0.433 216 T N -0.913 113.604 114.554 -0.063 0.000 2.595 216 T HA -0.268 1.786 4.350 -3.827 0.000 0.264 216 T C 2.132 176.624 174.700 -0.346 0.000 1.058 216 T CA 1.922 63.904 62.100 -0.198 0.000 1.166 216 T CB -0.345 68.474 68.868 -0.083 0.000 0.863 216 T HN 0.366 nan 8.240 nan 0.000 0.415 217 S N 0.905 116.495 115.700 -0.184 0.000 2.378 217 S HA -0.164 2.009 4.470 -3.827 0.000 0.229 217 S C 2.041 176.598 174.600 -0.071 0.000 1.052 217 S CA 1.582 59.727 58.200 -0.092 0.000 1.084 217 S CB -0.687 62.459 63.200 -0.090 0.000 0.950 217 S HN 0.454 nan 8.310 nan 0.000 0.440 218 L N 0.297 121.468 121.223 -0.087 0.000 2.217 218 L HA -0.042 2.002 4.340 -3.827 0.000 0.211 218 L C 2.707 179.584 176.870 0.011 0.000 1.107 218 L CA 1.400 56.221 54.840 -0.032 0.000 0.783 218 L CB -0.739 41.302 42.059 -0.030 0.000 0.919 218 L HN 0.393 nan 8.230 nan 0.000 0.442 219 T N -2.256 112.286 114.554 -0.020 0.000 2.851 219 T HA -0.130 1.923 4.350 -3.827 0.000 0.262 219 T C 1.621 176.368 174.700 0.078 0.000 1.043 219 T CA 0.954 63.071 62.100 0.027 0.000 1.140 219 T CB -0.263 68.598 68.868 -0.011 0.000 0.872 219 T HN 0.457 nan 8.240 nan 0.000 0.446 220 H N 0.488 119.586 119.070 0.046 0.000 2.518 220 H HA 0.108 2.369 4.556 -3.825 0.000 0.289 220 H C 1.944 177.284 175.328 0.020 0.000 1.051 220 H CA 0.514 56.580 56.048 0.030 0.000 1.280 220 H CB 0.188 29.963 29.762 0.023 0.000 1.380 220 H HN 0.116 nan 8.280 nan 0.000 0.566 221 R N 0.451 121.020 120.500 0.116 0.000 2.393 221 R HA 0.032 2.075 4.340 -3.827 0.000 0.244 221 R C -0.013 176.292 176.300 0.008 0.000 0.920 221 R CA -0.053 56.078 56.100 0.051 0.000 1.076 221 R CB 0.558 30.872 30.300 0.023 0.000 1.119 221 R HN 0.161 nan 8.270 nan 0.000 0.524 222 Q N 0.207 120.031 119.800 0.040 0.000 2.457 222 Q HA -0.243 1.801 4.340 -3.827 0.000 0.283 222 Q C 0.618 176.488 176.000 -0.218 0.000 1.234 222 Q CA 0.663 56.464 55.803 -0.003 0.000 0.877 222 Q CB -0.915 27.808 28.738 -0.024 0.000 1.250 222 Q HN 0.285 nan 8.270 nan 0.000 0.481 223 Q N -0.853 118.899 119.800 -0.079 0.000 2.297 223 Q HA 0.205 2.248 4.340 -3.827 0.000 0.203 223 Q C 0.396 176.450 176.000 0.090 0.000 0.931 223 Q CA 0.866 56.617 55.803 -0.086 0.000 0.885 223 Q CB 0.658 29.385 28.738 -0.019 0.000 0.991 223 Q HN 0.496 nan 8.270 nan 0.000 0.498 224 L N 1.742 123.101 121.223 0.226 0.000 2.354 224 L HA 0.453 2.497 4.340 -3.827 0.000 0.264 224 L C -2.424 174.651 176.870 0.342 0.000 1.008 224 L CA -2.175 52.892 54.840 0.379 0.000 0.819 224 L CB 2.311 44.580 42.059 0.350 0.000 1.339 224 L HN -0.113 nan 8.230 nan 0.000 0.420 225 P HA 0.275 nan 4.420 nan 0.000 0.282 225 P C -2.687 174.487 177.300 -0.210 0.000 1.249 225 P CA -2.091 60.898 63.100 -0.184 0.000 0.806 225 P CB 0.168 31.517 31.700 -0.585 0.000 0.984 226 P HA 0.105 nan 4.420 nan 0.000 0.256 226 P C -0.524 176.626 177.300 -0.251 0.000 1.173 226 P CA 1.141 64.161 63.100 -0.133 0.000 0.768 226 P CB -0.245 31.391 31.700 -0.108 0.000 0.758 227 A N 3.269 125.952 122.820 -0.228 0.000 2.530 227 A HA 0.711 2.735 4.320 -3.827 0.000 0.288 227 A C -1.126 176.283 177.584 -0.292 0.000 1.172 227 A CA -0.582 51.214 52.037 -0.403 0.000 0.733 227 A CB 1.358 19.900 19.000 -0.763 0.000 1.320 227 A HN 0.245 nan 8.150 nan 0.000 0.419 228 V N 0.697 120.419 119.914 -0.320 0.000 2.417 228 V HA 0.454 2.278 4.120 -3.827 0.000 0.291 228 V C -1.442 174.501 176.094 -0.253 0.000 1.024 228 V CA -0.232 61.971 62.300 -0.161 0.000 0.861 228 V CB 0.862 32.656 31.823 -0.047 0.000 0.985 228 V HN 0.698 nan 8.190 nan 0.000 0.436 229 Y N 3.401 123.821 120.300 0.200 0.000 2.335 229 Y HA 0.632 2.886 4.550 -3.827 0.000 0.338 229 Y C 0.090 176.138 175.900 0.247 0.000 0.977 229 Y CA -1.017 57.242 58.100 0.265 0.000 1.114 229 Y CB 2.145 40.849 38.460 0.405 0.000 1.182 229 Y HN 0.488 nan 8.280 nan 0.000 0.463 230 V N 2.481 122.577 119.914 0.303 0.000 2.350 230 V HA 0.541 2.365 4.120 -3.827 0.000 0.285 230 V C -0.960 175.325 176.094 0.318 0.000 1.014 230 V CA -0.980 61.475 62.300 0.257 0.000 0.831 230 V CB 1.061 32.934 31.823 0.083 0.000 1.000 230 V HN 0.506 nan 8.190 nan 0.000 0.433 231 L N 6.461 127.950 121.223 0.443 0.000 2.262 231 L HA 0.574 2.618 4.340 -3.827 0.000 0.288 231 L C -0.080 177.124 176.870 0.555 0.000 1.035 231 L CA -0.075 55.057 54.840 0.486 0.000 0.820 231 L CB 1.173 43.551 42.059 0.532 0.000 1.204 231 L HN 0.598 nan 8.230 nan 0.000 0.424 232 I N 2.611 123.431 120.570 0.416 0.000 2.304 232 I HA 0.168 2.042 4.170 -3.827 0.000 0.291 232 I C 0.243 176.612 176.117 0.420 0.000 1.018 232 I CA -0.778 60.758 61.300 0.395 0.000 1.260 232 I CB 1.018 39.218 38.000 0.333 0.000 1.390 232 I HN 0.473 nan 8.210 nan 0.000 0.475 233 D N 5.339 126.011 120.400 0.453 0.000 2.531 233 D HA 0.006 2.349 4.640 -3.827 0.000 0.239 233 D C 0.893 177.334 176.300 0.234 0.000 1.144 233 D CA 0.303 54.534 54.000 0.385 0.000 0.869 233 D CB 1.350 42.319 40.800 0.280 0.000 1.160 233 D HN 0.675 nan 8.370 nan 0.000 0.484 234 A N 4.054 126.979 122.820 0.175 0.000 2.208 234 A HA 0.145 2.169 4.320 -3.827 0.000 0.209 234 A C 1.869 179.486 177.584 0.054 0.000 1.161 234 A CA 0.635 52.723 52.037 0.085 0.000 0.782 234 A CB -0.476 18.558 19.000 0.057 0.000 0.816 234 A HN 0.837 nan 8.150 nan 0.000 0.477 235 I N -1.881 118.720 120.570 0.051 0.000 4.781 235 I HA -0.415 1.458 4.170 -3.827 0.000 0.042 235 I C 0.235 176.366 176.117 0.023 0.000 0.631 235 I CA 2.080 63.364 61.300 -0.026 0.000 0.598 235 I CB -1.169 36.688 38.000 -0.238 0.000 0.578 235 I HN 0.653 nan 8.210 nan 0.000 0.154 236 D N -1.632 118.811 120.400 0.071 0.000 2.713 236 D HA 0.305 2.649 4.640 -3.827 0.000 0.306 236 D C 0.294 176.659 176.300 0.109 0.000 1.299 236 D CA 0.111 54.171 54.000 0.101 0.000 0.823 236 D CB 0.466 41.339 40.800 0.121 0.000 1.353 236 D HN 0.090 nan 8.370 nan 0.000 0.447 237 T N -0.506 114.094 114.554 0.077 0.000 2.624 237 T HA -0.197 1.857 4.350 -3.827 0.000 0.268 237 T C 1.822 176.540 174.700 0.029 0.000 1.041 237 T CA 3.313 65.446 62.100 0.055 0.000 1.159 237 T CB -0.939 67.950 68.868 0.036 0.000 0.863 237 T HN 0.747 nan 8.240 nan 0.000 0.434 238 T N 0.121 114.681 114.554 0.009 0.000 2.777 238 T HA -0.142 1.911 4.350 -3.827 0.000 0.266 238 T C 1.732 176.347 174.700 -0.143 0.000 1.040 238 T CA 1.524 63.554 62.100 -0.117 0.000 1.141 238 T CB -0.684 68.124 68.868 -0.100 0.000 0.868 238 T HN 0.501 nan 8.240 nan 0.000 0.444 239 H N 0.768 119.840 119.070 0.002 0.000 2.326 239 H HA 0.192 2.450 4.556 -3.829 0.000 0.301 239 H C 2.666 177.959 175.328 -0.058 0.000 1.081 239 H CA 1.652 57.711 56.048 0.018 0.000 1.334 239 H CB -0.131 29.635 29.762 0.006 0.000 1.385 239 H HN 0.239 nan 8.280 nan 0.000 0.504 240 R N 0.499 121.036 120.500 0.062 0.000 2.081 240 R HA -0.109 1.935 4.340 -3.827 0.000 0.235 240 R C 2.207 178.454 176.300 -0.088 0.000 1.131 240 R CA 1.193 57.277 56.100 -0.026 0.000 0.960 240 R CB -0.233 30.094 30.300 0.045 0.000 0.856 240 R HN 0.358 nan 8.270 nan 0.000 0.436 241 A N -0.721 122.062 122.820 -0.061 0.000 2.066 241 A HA -0.120 1.904 4.320 -3.827 0.000 0.218 241 A C 1.468 178.856 177.584 -0.326 0.000 1.157 241 A CA 1.212 53.170 52.037 -0.133 0.000 0.670 241 A CB -0.421 18.576 19.000 -0.005 0.000 0.804 241 A HN 0.524 nan 8.150 nan 0.000 0.453 242 H N -1.466 117.498 119.070 -0.176 0.000 2.418 242 H HA 0.112 2.373 4.556 -3.825 0.000 0.300 242 H C 1.881 177.040 175.328 -0.281 0.000 1.041 242 H CA 1.038 56.973 56.048 -0.189 0.000 1.364 242 H CB 0.295 29.978 29.762 -0.131 0.000 1.439 242 H HN 0.535 nan 8.280 nan 0.000 0.540 243 E N 0.273 120.357 120.200 -0.194 0.000 2.250 243 E HA 0.008 2.062 4.350 -3.827 0.000 0.192 243 E C 1.695 177.883 176.600 -0.686 0.000 0.986 243 E CA 0.207 56.388 56.400 -0.364 0.000 0.849 243 E CB 0.478 29.969 29.700 -0.348 0.000 0.797 243 E HN 0.378 nan 8.360 nan 0.000 0.482 244 L N 0.818 121.639 121.223 -0.670 0.000 2.127 244 L HA 0.062 2.106 4.340 -3.827 0.000 0.203 244 L C -1.489 174.948 176.870 -0.722 0.000 1.080 244 L CA 0.159 54.597 54.840 -0.670 0.000 0.768 244 L CB -0.817 40.966 42.059 -0.461 0.000 0.924 244 L HN -0.088 nan 8.230 nan 0.000 0.444 245 P HA 0.137 nan 4.420 nan 0.000 0.277 245 P C -0.187 176.345 177.300 -1.281 0.000 1.354 245 P CA -0.189 61.998 63.100 -1.521 0.000 0.891 245 P CB 0.138 30.250 31.700 -2.648 0.000 1.058 246 C N 1.677 120.323 119.300 -1.091 0.000 4.028 246 C HA -0.163 2.000 4.460 -3.827 0.000 0.300 246 C C 0.752 175.147 174.990 -0.991 0.000 1.399 246 C CA 0.057 58.185 59.018 -1.484 0.000 2.051 246 C CB -2.885 24.361 27.740 -0.823 0.000 1.318 246 C HN 0.639 nan 8.230 nan 0.000 0.696 247 N N 0.185 118.538 118.700 -0.578 0.000 2.501 247 N HA 0.571 3.015 4.740 -3.827 0.000 0.245 247 N C 0.602 176.293 175.510 0.302 0.000 0.974 247 N CA 0.304 53.290 53.050 -0.106 0.000 0.941 247 N CB 1.492 39.904 38.487 -0.125 0.000 1.122 247 N HN 0.436 nan 8.380 nan 0.000 0.507 248 A N 3.408 126.486 122.820 0.430 0.000 1.930 248 A HA -0.114 1.910 4.320 -3.827 0.000 0.217 248 A C 1.514 179.353 177.584 0.426 0.000 1.175 248 A CA 1.236 53.683 52.037 0.682 0.000 0.627 248 A CB -0.149 19.195 19.000 0.574 0.000 0.815 248 A HN 0.662 nan 8.150 nan 0.000 0.443 249 D N -0.997 119.562 120.400 0.266 0.000 2.144 249 D HA -0.147 2.196 4.640 -3.827 0.000 0.199 249 D C 1.574 177.956 176.300 0.136 0.000 0.984 249 D CA 1.205 55.305 54.000 0.168 0.000 0.834 249 D CB -0.413 40.455 40.800 0.113 0.000 0.955 249 D HN 0.522 nan 8.370 nan 0.000 0.465 250 F N -0.335 119.608 119.950 -0.012 0.000 2.069 250 F HA -0.202 2.030 4.527 -3.824 0.000 0.298 250 F C 2.043 177.743 175.800 -0.167 0.000 1.113 250 F CA 1.585 59.500 58.000 -0.142 0.000 1.214 250 F CB -0.394 38.409 39.000 -0.328 0.000 0.978 250 F HN -0.023 nan 8.300 nan 0.000 0.474 251 W N 0.531 121.828 121.300 -0.005 0.000 2.388 251 W HA -0.080 2.279 4.660 -3.836 0.000 0.294 251 W C 2.247 178.483 176.519 -0.471 0.000 1.212 251 W CA 0.802 57.961 57.345 -0.310 0.000 1.271 251 W CB -0.439 28.800 29.460 -0.370 0.000 1.126 251 W HN 0.027 nan 8.180 nan 0.000 0.535 252 L N -0.141 120.997 121.223 -0.140 0.000 2.017 252 L HA -0.216 1.827 4.340 -3.827 0.000 0.208 252 L C 2.679 179.515 176.870 -0.058 0.000 1.073 252 L CA 1.338 56.103 54.840 -0.124 0.000 0.745 252 L CB -1.316 40.758 42.059 0.025 0.000 0.894 252 L HN -0.004 nan 8.230 nan 0.000 0.432 253 A N -0.162 122.648 122.820 -0.015 0.000 1.858 253 A HA -0.171 1.853 4.320 -3.827 0.000 0.216 253 A C 2.358 179.986 177.584 0.073 0.000 1.190 253 A CA 1.862 53.964 52.037 0.109 0.000 0.617 253 A CB -0.961 18.138 19.000 0.165 0.000 0.827 253 A HN 0.166 nan 8.150 nan 0.000 0.443 254 V N -0.052 119.765 119.914 -0.162 0.000 2.250 254 V HA -0.393 1.430 4.120 -3.827 0.000 0.250 254 V C 2.713 178.689 176.094 -0.196 0.000 1.060 254 V CA 2.594 64.675 62.300 -0.366 0.000 1.030 254 V CB -0.893 30.690 31.823 -0.400 0.000 0.643 254 V HN 0.682 nan 8.190 nan 0.000 0.445 255 Q N -1.245 118.506 119.800 -0.081 0.000 2.123 255 Q HA -0.176 1.868 4.340 -3.827 0.000 0.199 255 Q C 2.301 178.260 176.000 -0.068 0.000 0.966 255 Q CA 1.361 57.126 55.803 -0.064 0.000 0.845 255 Q CB -0.030 28.633 28.738 -0.125 0.000 0.907 255 Q HN 0.698 nan 8.270 nan 0.000 0.439 256 Q N -0.547 119.221 119.800 -0.054 0.000 2.339 256 Q HA -0.022 2.022 4.340 -3.827 0.000 0.205 256 Q C 1.270 177.265 176.000 -0.007 0.000 0.925 256 Q CA 0.616 56.408 55.803 -0.019 0.000 0.898 256 Q CB 0.563 29.305 28.738 0.008 0.000 1.013 256 Q HN 0.343 nan 8.270 nan 0.000 0.504 257 E N -0.033 120.165 120.200 -0.004 0.000 2.152 257 E HA -0.035 2.019 4.350 -3.827 0.000 0.195 257 E C 1.626 178.104 176.600 -0.204 0.000 0.934 257 E CA 0.142 56.560 56.400 0.029 0.000 0.869 257 E CB 0.161 30.060 29.700 0.332 0.000 0.842 257 E HN 0.043 nan 8.360 nan 0.000 0.472 258 L N 1.428 122.332 121.223 -0.531 0.000 2.049 258 L HA -0.002 2.042 4.340 -3.827 0.000 0.203 258 L C 2.041 178.689 176.870 -0.370 0.000 1.074 258 L CA 1.444 55.779 54.840 -0.840 0.000 0.749 258 L CB -0.413 40.768 42.059 -1.463 0.000 0.907 258 L HN 0.098 nan 8.230 nan 0.000 0.439 259 L N -0.171 120.924 121.223 -0.214 0.000 2.046 259 L HA -0.148 1.896 4.340 -3.827 0.000 0.208 259 L C -0.122 176.806 176.870 0.097 0.000 1.077 259 L CA 1.273 56.121 54.840 0.013 0.000 0.747 259 L CB -1.944 40.174 42.059 0.098 0.000 0.896 259 L HN 0.251 nan 8.230 nan 0.000 0.432 260 P HA -0.204 nan 4.420 nan 0.000 0.216 260 P C 1.715 179.002 177.300 -0.022 0.000 1.150 260 P CA 1.178 64.267 63.100 -0.019 0.000 0.837 260 P CB 0.045 31.725 31.700 -0.034 0.000 0.786 261 L N -0.875 120.318 121.223 -0.050 0.000 2.109 261 L HA -0.067 1.977 4.340 -3.827 0.000 0.207 261 L C 2.047 178.912 176.870 -0.009 0.000 1.086 261 L CA 1.723 56.537 54.840 -0.043 0.000 0.760 261 L CB -1.128 40.882 42.059 -0.082 0.000 0.910 261 L HN -0.206 nan 8.230 nan 0.000 0.437 262 V N -0.212 119.715 119.914 0.021 0.000 2.427 262 V HA -0.216 1.608 4.120 -3.827 0.000 0.248 262 V C 2.733 178.943 176.094 0.193 0.000 1.051 262 V CA 1.404 63.769 62.300 0.107 0.000 1.048 262 V CB -0.798 31.095 31.823 0.117 0.000 0.666 262 V HN 0.383 nan 8.190 nan 0.000 0.456 263 K N 0.216 120.730 120.400 0.189 0.000 2.074 263 K HA -0.154 1.870 4.320 -3.827 0.000 0.209 263 K C 2.015 178.584 176.600 -0.051 0.000 1.048 263 K CA 1.328 57.585 56.287 -0.050 0.000 0.926 263 K CB -0.705 31.663 32.500 -0.220 0.000 0.713 263 K HN 0.434 nan 8.250 nan 0.000 0.444 264 V N 0.873 120.772 119.914 -0.024 0.000 2.809 264 V HA -0.143 1.680 4.120 -3.827 0.000 0.256 264 V C 2.121 178.209 176.094 -0.010 0.000 1.080 264 V CA 1.189 63.472 62.300 -0.027 0.000 1.102 264 V CB -0.245 31.564 31.823 -0.022 0.000 0.705 264 V HN 0.196 nan 8.190 nan 0.000 0.475 265 I N -0.441 120.137 120.570 0.013 0.000 2.927 265 I HA 0.274 2.148 4.170 -3.827 0.000 0.268 265 I C 1.003 177.137 176.117 0.028 0.000 1.153 265 I CA 0.814 62.125 61.300 0.018 0.000 1.459 265 I CB 0.164 38.178 38.000 0.023 0.000 1.149 265 I HN 0.245 nan 8.210 nan 0.000 0.443 266 A N 1.673 124.531 122.820 0.064 0.000 2.679 266 A HA 0.548 2.572 4.320 -3.827 0.000 0.288 266 A C -2.692 174.972 177.584 0.133 0.000 1.160 266 A CA -1.134 50.949 52.037 0.077 0.000 0.763 266 A CB 0.079 19.130 19.000 0.085 0.000 1.270 266 A HN -0.154 nan 8.150 nan 0.000 0.417 267 P HA 0.329 nan 4.420 nan 0.000 0.263 267 P C -0.645 176.660 177.300 0.008 0.000 1.175 267 P CA 0.745 63.793 63.100 -0.087 0.000 0.761 267 P CB -0.057 31.587 31.700 -0.094 0.000 0.794 268 F N -0.746 119.168 119.950 -0.061 0.000 2.643 268 F HA 0.633 2.867 4.527 -3.822 0.000 0.314 268 F C -0.059 175.701 175.800 -0.065 0.000 1.096 268 F CA -1.521 56.438 58.000 -0.069 0.000 0.953 268 F CB 0.754 39.721 39.000 -0.055 0.000 1.345 268 F HN 0.129 nan 8.300 nan 0.000 0.468 269 S N 0.024 115.817 115.700 0.155 0.000 2.579 269 S HA 0.151 2.325 4.470 -3.827 0.000 0.275 269 S C 0.020 174.690 174.600 0.117 0.000 1.345 269 S CA -0.224 58.010 58.200 0.056 0.000 1.031 269 S CB 0.218 63.434 63.200 0.028 0.000 0.892 269 S HN 0.687 nan 8.310 nan 0.000 0.529 270 D N 2.191 122.599 120.400 0.014 0.000 2.501 270 D HA 0.165 2.509 4.640 -3.827 0.000 0.226 270 D C -0.097 176.211 176.300 0.013 0.000 1.198 270 D CA -0.088 53.922 54.000 0.016 0.000 0.830 270 D CB 0.252 41.020 40.800 -0.053 0.000 1.014 270 D HN 0.406 nan 8.370 nan 0.000 0.496 271 R N 0.643 121.160 120.500 0.029 0.000 2.389 271 R HA 0.361 2.405 4.340 -3.827 0.000 0.295 271 R C 0.964 177.294 176.300 0.049 0.000 1.075 271 R CA -0.116 56.002 56.100 0.031 0.000 1.005 271 R CB 1.384 31.703 30.300 0.033 0.000 0.987 271 R HN -0.027 nan 8.270 nan 0.000 0.452 272 A N 3.120 125.960 122.820 0.033 0.000 1.968 272 A HA -0.168 1.856 4.320 -3.827 0.000 0.217 272 A C 1.262 178.896 177.584 0.084 0.000 1.169 272 A CA 1.469 53.529 52.037 0.039 0.000 0.638 272 A CB -0.217 18.793 19.000 0.017 0.000 0.812 272 A HN 0.784 nan 8.150 nan 0.000 0.446 273 D N -0.048 120.402 120.400 0.084 0.000 2.378 273 D HA -0.163 2.180 4.640 -3.827 0.000 0.222 273 D C 1.391 177.786 176.300 0.159 0.000 0.980 273 D CA 1.146 55.211 54.000 0.108 0.000 0.907 273 D CB -0.287 40.570 40.800 0.094 0.000 0.899 273 D HN 0.717 nan 8.370 nan 0.000 0.527 274 R N -1.195 119.413 120.500 0.181 0.000 2.549 274 R HA 0.205 2.249 4.340 -3.827 0.000 0.361 274 R C -0.520 176.012 176.300 0.386 0.000 0.969 274 R CA -0.450 55.838 56.100 0.313 0.000 1.158 274 R CB -0.095 30.326 30.300 0.202 0.000 1.456 274 R HN -0.139 nan 8.270 nan 0.000 0.540 275 T N 1.593 116.291 114.554 0.239 0.000 2.771 275 T HA 0.393 2.447 4.350 -3.827 0.000 0.291 275 T C -0.514 174.314 174.700 0.214 0.000 0.954 275 T CA -0.290 61.948 62.100 0.230 0.000 1.045 275 T CB 2.130 71.088 68.868 0.150 0.000 0.917 275 T HN -0.059 nan 8.240 nan 0.000 0.484 276 V N 4.363 124.371 119.914 0.157 0.000 2.495 276 V HA 0.537 2.360 4.120 -3.827 0.000 0.298 276 V C -0.080 176.032 176.094 0.029 0.000 1.031 276 V CA -0.878 61.421 62.300 -0.002 0.000 0.871 276 V CB 1.875 33.514 31.823 -0.307 0.000 0.988 276 V HN 0.800 nan 8.190 nan 0.000 0.432 277 V N 2.010 121.902 119.914 -0.038 0.000 2.384 277 V HA 0.978 2.802 4.120 -3.827 0.000 0.287 277 V C 0.026 176.083 176.094 -0.063 0.000 1.020 277 V CA -0.731 61.515 62.300 -0.089 0.000 0.850 277 V CB 1.158 32.779 31.823 -0.337 0.000 0.987 277 V HN 1.000 nan 8.190 nan 0.000 0.436 278 A N 3.451 126.255 122.820 -0.027 0.000 2.343 278 A HA 1.035 3.059 4.320 -3.827 0.000 0.308 278 A C 0.096 177.657 177.584 -0.038 0.000 1.092 278 A CA 0.006 51.999 52.037 -0.073 0.000 0.751 278 A CB 1.550 20.466 19.000 -0.140 0.000 1.203 278 A HN 1.798 nan 8.150 nan 0.000 0.452 279 G N 0.737 109.492 108.800 -0.076 0.000 2.704 279 G HA2 0.567 2.231 3.960 -3.827 0.000 0.293 279 G HA3 0.567 2.231 3.960 -3.827 0.000 0.293 279 G C -1.653 173.113 174.900 -0.224 0.000 1.421 279 G CA -0.580 44.471 45.100 -0.081 0.000 0.870 279 G HN 0.681 nan 8.290 nan 0.000 0.492 280 Q N 0.350 119.957 119.800 -0.322 0.000 2.306 280 Q HA 0.660 2.704 4.340 -3.827 0.000 0.265 280 Q C 0.933 176.603 176.000 -0.551 0.000 1.022 280 Q CA 0.199 55.572 55.803 -0.717 0.000 0.853 280 Q CB 2.057 30.027 28.738 -1.279 0.000 1.327 280 Q HN 1.443 nan 8.270 nan 0.000 0.449 281 S N 0.560 115.942 115.700 -0.531 0.000 4.150 281 S HA -0.380 1.794 4.470 -3.827 0.000 0.541 281 S C 1.168 175.689 174.600 -0.132 0.000 1.860 281 S CA 1.572 59.641 58.200 -0.218 0.000 4.226 281 S CB -1.343 61.825 63.200 -0.055 0.000 0.445 281 S HN 0.511 nan 8.310 nan 0.000 0.470 282 F N 3.354 123.187 119.950 -0.195 0.000 2.161 282 F HA 0.117 2.355 4.527 -3.815 0.000 0.300 282 F C 3.035 178.669 175.800 -0.277 0.000 1.089 282 F CA 1.024 58.850 58.000 -0.289 0.000 1.282 282 F CB -1.801 37.045 39.000 -0.256 0.000 1.010 282 F HN 0.704 nan 8.300 nan 0.000 0.485 283 G N -0.551 108.236 108.800 -0.023 0.000 2.422 283 G HA2 -0.172 1.492 3.960 -3.827 0.000 0.218 283 G HA3 -0.172 1.492 3.960 -3.827 0.000 0.218 283 G C 2.063 176.932 174.900 -0.053 0.000 1.146 283 G CA 0.877 45.950 45.100 -0.045 0.000 0.769 283 G HN 0.522 nan 8.290 nan 0.000 0.547 284 G N 0.890 109.605 108.800 -0.141 0.000 2.421 284 G HA2 -0.139 1.525 3.960 -3.827 0.000 0.216 284 G HA3 -0.139 1.525 3.960 -3.827 0.000 0.216 284 G C 1.739 176.585 174.900 -0.090 0.000 1.171 284 G CA 1.031 46.054 45.100 -0.129 0.000 0.775 284 G HN 0.401 nan 8.290 nan 0.000 0.543 285 L N 1.126 122.184 121.223 -0.274 0.000 2.013 285 L HA -0.078 1.965 4.340 -3.827 0.000 0.212 285 L C 2.818 179.696 176.870 0.013 0.000 1.073 285 L CA 2.693 57.373 54.840 -0.266 0.000 0.753 285 L CB -0.970 40.840 42.059 -0.415 0.000 0.890 285 L HN 0.217 nan 8.230 nan 0.000 0.432 286 S N -1.155 114.554 115.700 0.016 0.000 2.382 286 S HA -0.135 2.039 4.470 -3.827 0.000 0.228 286 S C 2.095 176.915 174.600 0.367 0.000 1.027 286 S CA 1.100 59.453 58.200 0.256 0.000 0.991 286 S CB -0.460 62.880 63.200 0.233 0.000 0.823 286 S HN 0.706 nan 8.310 nan 0.000 0.469 287 A N 1.468 124.412 122.820 0.208 0.000 1.865 287 A HA -0.072 1.952 4.320 -3.827 0.000 0.217 287 A C 2.116 179.687 177.584 -0.022 0.000 1.191 287 A CA 1.766 53.830 52.037 0.045 0.000 0.623 287 A CB -1.030 17.989 19.000 0.032 0.000 0.826 287 A HN 0.530 nan 8.150 nan 0.000 0.444 288 L N -1.534 119.751 121.223 0.103 0.000 1.989 288 L HA -0.172 1.871 4.340 -3.827 0.000 0.211 288 L C 2.306 179.247 176.870 0.119 0.000 1.071 288 L CA 2.553 57.471 54.840 0.129 0.000 0.749 288 L CB -1.213 40.999 42.059 0.255 0.000 0.890 288 L HN 0.535 nan 8.230 nan 0.000 0.431 289 Y N 0.450 120.791 120.300 0.069 0.000 2.069 289 Y HA -0.365 1.888 4.550 -3.829 0.000 0.278 289 Y C 2.407 178.312 175.900 0.008 0.000 1.175 289 Y CA 2.439 60.593 58.100 0.092 0.000 1.134 289 Y CB -0.754 37.770 38.460 0.107 0.000 0.965 289 Y HN 0.286 nan 8.280 nan 0.000 0.498 290 A N -0.020 122.635 122.820 -0.274 0.000 1.940 290 A HA -0.126 1.898 4.320 -3.827 0.000 0.219 290 A C 2.488 180.010 177.584 -0.104 0.000 1.176 290 A CA 1.833 53.510 52.037 -0.601 0.000 0.631 290 A CB -1.716 16.111 19.000 -1.954 0.000 0.814 290 A HN 0.634 nan 8.150 nan 0.000 0.446 291 G N -0.038 108.697 108.800 -0.109 0.000 2.434 291 G HA2 -0.160 1.503 3.960 -3.827 0.000 0.214 291 G HA3 -0.160 1.503 3.960 -3.827 0.000 0.214 291 G C 1.529 176.406 174.900 -0.038 0.000 1.202 291 G CA 0.977 46.084 45.100 0.010 0.000 0.788 291 G HN 0.433 nan 8.290 nan 0.000 0.539 292 L N -0.409 120.751 121.223 -0.104 0.000 2.081 292 L HA -0.160 1.883 4.340 -3.827 0.000 0.212 292 L C 2.673 179.287 176.870 -0.428 0.000 1.080 292 L CA 1.347 56.051 54.840 -0.227 0.000 0.754 292 L CB -0.498 41.424 42.059 -0.229 0.000 0.893 292 L HN 0.319 nan 8.230 nan 0.000 0.433 293 H N -2.584 116.166 119.070 -0.532 0.000 2.516 293 H HA 0.043 2.302 4.556 -3.828 0.000 0.284 293 H C 0.391 175.130 175.328 -0.981 0.000 0.999 293 H CA 0.545 56.017 56.048 -0.961 0.000 1.303 293 H CB 0.676 29.385 29.762 -1.755 0.000 1.452 293 H HN 0.347 nan 8.280 nan 0.000 0.530 294 W N 1.378 122.679 121.300 0.000 0.000 1.506 294 W HA 0.248 2.610 4.660 -3.830 0.000 0.296 294 W C -2.457 174.064 176.519 0.003 0.000 0.847 294 W CA -1.661 55.696 57.345 0.019 0.000 2.203 294 W CB 0.447 29.951 29.460 0.074 0.000 2.219 294 W HN 0.089 nan 8.180 nan 0.000 0.464 295 P HA -0.176 nan 4.420 nan 0.000 0.222 295 P C 1.128 178.451 177.300 0.039 0.000 1.147 295 P CA 1.788 64.928 63.100 0.065 0.000 0.790 295 P CB 0.409 32.113 31.700 0.006 0.000 0.780 296 E N -0.644 119.577 120.200 0.035 0.000 2.209 296 E HA -0.199 1.854 4.350 -3.827 0.000 0.196 296 E C 2.077 178.644 176.600 -0.055 0.000 0.993 296 E CA 1.082 57.485 56.400 0.005 0.000 0.819 296 E CB -0.388 29.328 29.700 0.026 0.000 0.745 296 E HN 0.118 nan 8.360 nan 0.000 0.477 297 R N -0.502 119.916 120.500 -0.137 0.000 2.164 297 R HA 0.225 2.268 4.340 -3.827 0.000 0.198 297 R C -0.430 175.528 176.300 -0.570 0.000 1.028 297 R CA 0.436 56.270 56.100 -0.443 0.000 1.083 297 R CB 0.465 30.315 30.300 -0.750 0.000 1.026 297 R HN 0.076 nan 8.270 nan 0.000 0.514 298 F N -0.312 119.668 119.950 0.051 0.000 2.366 298 F HA 0.420 2.655 4.527 -3.820 0.000 0.366 298 F C 1.144 176.952 175.800 0.012 0.000 1.096 298 F CA -0.662 57.346 58.000 0.013 0.000 1.060 298 F CB 2.155 41.124 39.000 -0.051 0.000 1.282 298 F HN 0.121 nan 8.300 nan 0.000 0.450 299 G N 0.950 109.847 108.800 0.163 0.000 2.595 299 G HA2 0.026 1.690 3.960 -3.827 0.000 0.213 299 G HA3 0.026 1.690 3.960 -3.827 0.000 0.213 299 G C -0.116 174.845 174.900 0.102 0.000 1.141 299 G CA 0.252 45.419 45.100 0.111 0.000 0.806 299 G HN 0.563 nan 8.290 nan 0.000 0.530 300 C N 0.949 120.309 119.300 0.099 0.000 2.322 300 C HA 0.704 2.868 4.460 -3.827 0.000 0.324 300 C C -0.108 174.886 174.990 0.006 0.000 1.284 300 C CA -1.009 58.033 59.018 0.039 0.000 1.606 300 C CB 0.918 28.643 27.740 -0.025 0.000 2.251 300 C HN 0.035 nan 8.230 nan 0.000 0.502 301 V N 4.759 124.675 119.914 0.004 0.000 2.409 301 V HA 0.429 2.253 4.120 -3.827 0.000 0.291 301 V C -0.304 175.772 176.094 -0.030 0.000 1.020 301 V CA -0.305 61.989 62.300 -0.010 0.000 0.848 301 V CB 1.608 33.448 31.823 0.028 0.000 0.990 301 V HN 0.793 nan 8.190 nan 0.000 0.430 302 L N 4.619 125.800 121.223 -0.071 0.000 2.295 302 L HA 0.602 2.645 4.340 -3.827 0.000 0.281 302 L C -0.045 176.780 176.870 -0.075 0.000 1.018 302 L CA 0.083 54.864 54.840 -0.099 0.000 0.841 302 L CB 1.542 43.498 42.059 -0.171 0.000 1.218 302 L HN 0.687 nan 8.230 nan 0.000 0.424 303 S N 4.610 120.288 115.700 -0.037 0.000 2.498 303 S HA 0.522 2.696 4.470 -3.827 0.000 0.317 303 S C -0.872 173.678 174.600 -0.084 0.000 1.090 303 S CA -0.546 57.645 58.200 -0.015 0.000 1.089 303 S CB 1.092 64.386 63.200 0.157 0.000 0.997 303 S HN 0.690 nan 8.310 nan 0.000 0.470 304 Q N 2.671 122.336 119.800 -0.225 0.000 2.330 304 Q HA 0.471 2.514 4.340 -3.827 0.000 0.269 304 Q C -0.083 175.665 176.000 -0.420 0.000 1.022 304 Q CA -0.855 54.750 55.803 -0.330 0.000 0.796 304 Q CB 1.791 30.227 28.738 -0.503 0.000 1.271 304 Q HN 0.788 nan 8.270 nan 0.000 0.450 305 S N 0.609 116.205 115.700 -0.173 0.000 3.614 305 S HA -0.188 1.986 4.470 -3.827 0.000 0.360 305 S C 0.536 175.128 174.600 -0.014 0.000 1.023 305 S CA 0.357 58.557 58.200 0.000 0.000 1.114 305 S CB -1.426 61.818 63.200 0.073 0.000 0.907 305 S HN 0.946 nan 8.310 nan 0.000 0.470 306 G N 0.970 109.755 108.800 -0.025 0.000 2.353 306 G HA2 0.333 1.997 3.960 -3.827 0.000 0.239 306 G HA3 0.333 1.997 3.960 -3.827 0.000 0.239 306 G C 0.188 174.890 174.900 -0.330 0.000 1.295 306 G CA -0.263 44.652 45.100 -0.309 0.000 0.884 306 G HN 0.549 nan 8.290 nan 0.000 0.537 307 S N 1.997 117.452 115.700 -0.409 0.000 4.120 307 S HA 0.123 2.296 4.470 -3.827 0.000 0.196 307 S C 0.152 174.429 174.600 -0.539 0.000 1.447 307 S CA -0.383 57.665 58.200 -0.252 0.000 0.939 307 S CB -0.198 62.906 63.200 -0.160 0.000 1.496 307 S HN 0.578 nan 8.310 nan 0.000 0.460 308 Y N 0.743 121.061 120.300 0.031 0.000 2.553 308 Y HA 0.020 2.276 4.550 -3.822 0.000 0.303 308 Y C 1.795 177.776 175.900 0.136 0.000 1.194 308 Y CA -0.640 57.501 58.100 0.068 0.000 1.305 308 Y CB -0.466 38.081 38.460 0.144 0.000 1.045 308 Y HN 0.768 nan 8.280 nan 0.000 0.514 309 W N -2.071 119.415 121.300 0.310 0.000 2.584 309 W HA -0.066 2.287 4.660 -3.845 0.000 0.264 309 W C 0.367 177.029 176.519 0.238 0.000 1.264 309 W CA -0.984 56.514 57.345 0.255 0.000 1.306 309 W CB -1.197 28.379 29.460 0.192 0.000 1.110 309 W HN 0.137 nan 8.180 nan 0.000 0.606 310 W N 6.678 127.582 121.300 -0.659 0.000 2.391 310 W HA -0.071 2.293 4.660 -3.827 0.000 0.339 310 W C -1.327 174.995 176.519 -0.330 0.000 1.252 310 W CA -0.584 56.344 57.345 -0.694 0.000 1.304 310 W CB 0.610 29.587 29.460 -0.806 0.000 1.179 310 W HN -0.220 nan 8.180 nan 0.000 0.567 311 P HA -0.016 nan 4.420 nan 0.000 0.266 311 P C -0.598 176.463 177.300 -0.399 0.000 1.381 311 P CA 0.395 62.643 63.100 -1.420 0.000 0.940 311 P CB 0.168 30.816 31.700 -1.753 0.000 1.435 312 H N 1.476 120.627 119.070 0.136 0.000 2.846 312 H HA 0.166 2.426 4.556 -3.827 0.000 0.278 312 H C 1.640 177.158 175.328 0.316 0.000 1.117 312 H CA 0.000 56.163 56.048 0.192 0.000 1.406 312 H CB 0.839 30.673 29.762 0.120 0.000 1.445 312 H HN 0.258 nan 8.280 nan 0.000 0.469 313 R N 1.753 122.382 120.500 0.215 0.000 2.115 313 R HA -0.035 2.009 4.340 -3.827 0.000 0.226 313 R C 1.968 178.179 176.300 -0.148 0.000 1.100 313 R CA 1.162 57.178 56.100 -0.141 0.000 0.980 313 R CB -0.431 29.783 30.300 -0.144 0.000 0.875 313 R HN 0.469 nan 8.270 nan 0.000 0.445 314 G N 0.275 109.068 108.800 -0.011 0.000 2.432 314 G HA2 0.005 1.668 3.960 -3.827 0.000 0.219 314 G HA3 0.005 1.668 3.960 -3.827 0.000 0.219 314 G C 1.215 176.112 174.900 -0.004 0.000 1.135 314 G CA 0.686 45.774 45.100 -0.020 0.000 0.767 314 G HN 0.674 nan 8.290 nan 0.000 0.550 315 G N -0.787 108.053 108.800 0.067 0.000 2.148 315 G HA2 -0.283 1.380 3.960 -3.827 0.000 0.254 315 G HA3 -0.283 1.380 3.960 -3.827 0.000 0.254 315 G C 0.939 175.886 174.900 0.079 0.000 0.981 315 G CA 0.749 45.910 45.100 0.102 0.000 0.670 315 G HN 0.542 nan 8.290 nan 0.000 0.528 316 Q N -0.906 118.922 119.800 0.047 0.000 2.356 316 Q HA 0.164 2.208 4.340 -3.827 0.000 0.205 316 Q C 1.072 177.073 176.000 0.001 0.000 0.901 316 Q CA 0.414 56.229 55.803 0.020 0.000 0.938 316 Q CB 0.525 29.262 28.738 -0.000 0.000 1.081 316 Q HN 0.708 nan 8.270 nan 0.000 0.517 317 Q N 0.728 120.522 119.800 -0.010 0.000 2.365 317 Q HA 0.226 2.270 4.340 -3.827 0.000 0.269 317 Q C -1.166 174.878 176.000 0.073 0.000 1.061 317 Q CA -0.339 55.422 55.803 -0.070 0.000 0.816 317 Q CB 1.738 30.267 28.738 -0.348 0.000 1.325 317 Q HN 0.039 nan 8.270 nan 0.000 0.446 318 E N 0.900 121.161 120.200 0.101 0.000 2.398 318 E HA 0.200 2.253 4.350 -3.827 0.000 0.263 318 E C -0.033 176.757 176.600 0.315 0.000 1.046 318 E CA 0.007 56.523 56.400 0.193 0.000 0.908 318 E CB 0.661 30.442 29.700 0.134 0.000 0.963 318 E HN 0.768 nan 8.360 nan 0.000 0.431 319 G N 0.793 109.787 108.800 0.324 0.000 2.559 319 G HA2 -0.079 1.585 3.960 -3.827 0.000 0.235 319 G HA3 -0.079 1.585 3.960 -3.827 0.000 0.235 319 G C 0.915 175.962 174.900 0.246 0.000 1.266 319 G CA -0.572 44.708 45.100 0.299 0.000 0.847 319 G HN 0.454 nan 8.290 nan 0.000 0.583 320 V N 2.659 122.686 119.914 0.188 0.000 2.594 320 V HA -0.100 1.724 4.120 -3.827 0.000 0.253 320 V C 2.476 178.695 176.094 0.209 0.000 1.069 320 V CA 1.407 63.816 62.300 0.182 0.000 1.082 320 V CB -0.340 31.563 31.823 0.133 0.000 0.680 320 V HN 0.670 nan 8.190 nan 0.000 0.469 321 L N -0.887 120.485 121.223 0.249 0.000 2.056 321 L HA -0.124 1.919 4.340 -3.827 0.000 0.207 321 L C 2.282 179.255 176.870 0.173 0.000 1.078 321 L CA 2.131 57.119 54.840 0.246 0.000 0.749 321 L CB -0.513 41.734 42.059 0.313 0.000 0.901 321 L HN 0.340 nan 8.230 nan 0.000 0.433 322 L N -0.012 121.308 121.223 0.162 0.000 2.027 322 L HA -0.236 1.807 4.340 -3.827 0.000 0.206 322 L C 2.603 179.526 176.870 0.088 0.000 1.074 322 L CA 1.376 56.277 54.840 0.102 0.000 0.745 322 L CB -0.227 41.901 42.059 0.114 0.000 0.898 322 L HN 0.314 nan 8.230 nan 0.000 0.433 323 E N -0.113 120.154 120.200 0.112 0.000 2.086 323 E HA -0.312 1.742 4.350 -3.827 0.000 0.200 323 E C 2.088 178.734 176.600 0.077 0.000 1.012 323 E CA 1.656 58.112 56.400 0.093 0.000 0.812 323 E CB 0.077 29.847 29.700 0.116 0.000 0.743 323 E HN 0.420 nan 8.360 nan 0.000 0.453 324 K N -0.059 120.398 120.400 0.094 0.000 2.155 324 K HA -0.059 1.965 4.320 -3.827 0.000 0.203 324 K C 2.267 178.892 176.600 0.041 0.000 1.052 324 K CA 0.492 56.826 56.287 0.078 0.000 0.948 324 K CB 0.033 32.604 32.500 0.117 0.000 0.728 324 K HN 0.185 nan 8.250 nan 0.000 0.448 325 L N 0.963 122.209 121.223 0.038 0.000 1.976 325 L HA -0.219 1.825 4.340 -3.827 0.000 0.209 325 L C 2.432 179.302 176.870 0.000 0.000 1.071 325 L CA 1.437 56.281 54.840 0.006 0.000 0.746 325 L CB -0.398 41.663 42.059 0.003 0.000 0.890 325 L HN 0.087 nan 8.230 nan 0.000 0.432 326 K N -0.138 120.268 120.400 0.011 0.000 2.127 326 K HA -0.224 1.799 4.320 -3.827 0.000 0.208 326 K C 1.762 178.365 176.600 0.005 0.000 1.047 326 K CA 1.718 58.009 56.287 0.007 0.000 0.927 326 K CB -0.178 32.333 32.500 0.017 0.000 0.716 326 K HN 0.357 nan 8.250 nan 0.000 0.450 327 A N -0.529 122.299 122.820 0.013 0.000 2.251 327 A HA 0.215 2.239 4.320 -3.827 0.000 0.209 327 A C 1.284 178.868 177.584 0.000 0.000 1.187 327 A CA 0.738 52.782 52.037 0.011 0.000 0.823 327 A CB -0.305 18.708 19.000 0.023 0.000 0.846 327 A HN 0.462 nan 8.150 nan 0.000 0.486 328 G N -0.292 108.502 108.800 -0.009 0.000 2.168 328 G HA2 -0.334 1.330 3.960 -3.827 0.000 0.257 328 G HA3 -0.334 1.330 3.960 -3.827 0.000 0.257 328 G C 0.551 175.432 174.900 -0.032 0.000 0.997 328 G CA 0.833 45.918 45.100 -0.024 0.000 0.708 328 G HN 0.629 nan 8.290 nan 0.000 0.520 329 E N -1.121 119.068 120.200 -0.020 0.000 2.347 329 E HA 0.229 2.282 4.350 -3.827 0.000 0.196 329 E C 0.754 177.311 176.600 -0.072 0.000 1.008 329 E CA 1.014 57.400 56.400 -0.023 0.000 0.852 329 E CB 0.226 29.935 29.700 0.015 0.000 0.783 329 E HN 0.498 nan 8.360 nan 0.000 0.505 330 V N 0.008 119.865 119.914 -0.095 0.000 3.012 330 V HA 0.343 2.166 4.120 -3.827 0.000 0.307 330 V C -0.585 175.421 176.094 -0.146 0.000 1.166 330 V CA -1.069 61.115 62.300 -0.193 0.000 0.974 330 V CB 2.114 33.788 31.823 -0.249 0.000 1.040 330 V HN 0.059 nan 8.190 nan 0.000 0.428 331 S N 1.282 116.877 115.700 -0.176 0.000 2.549 331 S HA 0.857 3.030 4.470 -3.827 0.000 0.280 331 S C -0.206 174.322 174.600 -0.120 0.000 1.109 331 S CA -0.087 58.041 58.200 -0.120 0.000 0.905 331 S CB 2.226 65.366 63.200 -0.100 0.000 1.081 331 S HN 1.702 nan 8.310 nan 0.000 0.477 332 A N 1.395 124.167 122.820 -0.079 0.000 2.965 332 A HA 0.567 2.591 4.320 -3.827 0.000 0.304 332 A C -0.018 177.544 177.584 -0.038 0.000 1.214 332 A CA -0.605 51.398 52.037 -0.057 0.000 0.977 332 A CB -0.666 18.313 19.000 -0.035 0.000 1.127 332 A HN 0.856 nan 8.150 nan 0.000 0.572 333 E N -1.626 118.547 120.200 -0.045 0.000 2.227 333 E HA 0.626 2.679 4.350 -3.827 0.000 0.268 333 E C 0.763 177.350 176.600 -0.023 0.000 0.990 333 E CA -0.343 56.039 56.400 -0.030 0.000 0.856 333 E CB 0.656 30.335 29.700 -0.035 0.000 1.159 333 E HN 0.855 nan 8.360 nan 0.000 0.401 334 G N 0.119 108.914 108.800 -0.007 0.000 2.147 334 G HA2 -0.192 1.472 3.960 -3.827 0.000 0.244 334 G HA3 -0.192 1.472 3.960 -3.827 0.000 0.244 334 G C -0.684 174.230 174.900 0.022 0.000 1.005 334 G CA 0.207 45.310 45.100 0.005 0.000 0.713 334 G HN 0.309 nan 8.290 nan 0.000 0.515 335 L N -0.535 120.704 121.223 0.027 0.000 2.401 335 L HA 0.787 2.830 4.340 -3.827 0.000 0.266 335 L C 0.242 177.151 176.870 0.066 0.000 0.991 335 L CA -0.940 53.927 54.840 0.046 0.000 0.818 335 L CB 1.993 44.072 42.059 0.034 0.000 1.321 335 L HN 0.226 nan 8.230 nan 0.000 0.413 336 R N 3.822 124.377 120.500 0.091 0.000 2.494 336 R HA 0.791 2.835 4.340 -3.827 0.000 0.305 336 R C -1.317 175.071 176.300 0.145 0.000 0.959 336 R CA -0.545 55.636 56.100 0.135 0.000 0.864 336 R CB 1.869 32.273 30.300 0.173 0.000 1.159 336 R HN 0.502 nan 8.270 nan 0.000 0.446 337 I N 2.882 123.569 120.570 0.196 0.000 2.499 337 I HA 0.287 2.160 4.170 -3.827 0.000 0.288 337 I C -0.587 175.681 176.117 0.252 0.000 1.048 337 I CA -1.129 60.273 61.300 0.170 0.000 1.062 337 I CB 2.319 40.404 38.000 0.143 0.000 1.238 337 I HN 0.211 nan 8.210 nan 0.000 0.426 338 V N 6.976 126.973 119.914 0.137 0.000 2.407 338 V HA 0.350 2.173 4.120 -3.827 0.000 0.278 338 V C -0.032 176.099 176.094 0.063 0.000 1.037 338 V CA -0.392 61.967 62.300 0.097 0.000 0.900 338 V CB 1.781 33.547 31.823 -0.096 0.000 0.983 338 V HN 0.504 nan 8.190 nan 0.000 0.459 339 L N 5.364 126.632 121.223 0.075 0.000 2.401 339 L HA 0.535 2.578 4.340 -3.827 0.000 0.263 339 L C -0.130 176.652 176.870 -0.148 0.000 1.004 339 L CA -0.114 54.771 54.840 0.074 0.000 0.881 339 L CB 1.364 43.576 42.059 0.254 0.000 1.219 339 L HN 0.806 nan 8.230 nan 0.000 0.441 340 E N 3.789 123.884 120.200 -0.176 0.000 2.212 340 E HA 0.831 2.884 4.350 -3.827 0.000 0.270 340 E C -1.425 175.045 176.600 -0.217 0.000 0.956 340 E CA -0.500 55.715 56.400 -0.307 0.000 0.825 340 E CB 2.380 31.953 29.700 -0.211 0.000 1.167 340 E HN 0.613 nan 8.360 nan 0.000 0.400 341 A N 2.222 124.886 122.820 -0.261 0.000 2.604 341 A HA 0.656 2.679 4.320 -3.827 0.000 0.295 341 A C -0.535 177.030 177.584 -0.032 0.000 1.067 341 A CA -0.271 51.736 52.037 -0.051 0.000 0.683 341 A CB 1.499 20.532 19.000 0.055 0.000 1.281 341 A HN 0.661 nan 8.150 nan 0.000 0.407 342 G N -0.341 108.504 108.800 0.075 0.000 2.437 342 G HA2 0.522 2.186 3.960 -3.827 0.000 0.319 342 G HA3 0.522 2.186 3.960 -3.827 0.000 0.319 342 G C 0.737 175.684 174.900 0.079 0.000 1.158 342 G CA -0.112 45.025 45.100 0.062 0.000 0.899 342 G HN 1.289 nan 8.290 nan 0.000 0.502 343 I N -1.435 119.172 120.570 0.062 0.000 2.617 343 I HA 0.116 1.989 4.170 -3.827 0.000 0.256 343 I C 2.053 178.216 176.117 0.077 0.000 1.167 343 I CA 0.398 61.743 61.300 0.075 0.000 1.469 343 I CB -0.001 38.038 38.000 0.065 0.000 1.098 343 I HN 0.286 nan 8.210 nan 0.000 0.436 344 R N 2.181 122.725 120.500 0.073 0.000 2.319 344 R HA 0.075 2.118 4.340 -3.827 0.000 0.204 344 R C -0.205 176.141 176.300 0.077 0.000 0.954 344 R CA 0.317 56.461 56.100 0.073 0.000 1.066 344 R CB -0.336 30.012 30.300 0.081 0.000 0.991 344 R HN 0.648 nan 8.270 nan 0.000 0.486 345 E N -0.554 119.706 120.200 0.099 0.000 2.795 345 E HA 0.217 2.271 4.350 -3.827 0.000 0.226 345 E C -2.574 174.091 176.600 0.107 0.000 1.088 345 E CA -2.102 54.365 56.400 0.112 0.000 0.812 345 E CB 1.488 31.305 29.700 0.195 0.000 1.328 345 E HN -0.147 nan 8.360 nan 0.000 0.410 346 P HA -0.187 nan 4.420 nan 0.000 0.214 346 P C 1.571 178.926 177.300 0.092 0.000 1.162 346 P CA 0.879 64.027 63.100 0.080 0.000 0.879 346 P CB 0.071 31.802 31.700 0.051 0.000 0.786 347 M N -0.906 118.731 119.600 0.062 0.000 2.117 347 M HA -0.129 2.055 4.480 -3.827 0.000 0.262 347 M C 1.664 178.050 176.300 0.144 0.000 1.065 347 M CA 1.918 57.258 55.300 0.065 0.000 1.114 347 M CB -0.795 31.793 32.600 -0.021 0.000 1.361 347 M HN -0.149 nan 8.290 nan 0.000 0.408 348 I N 0.169 120.837 120.570 0.162 0.000 2.353 348 I HA -0.262 1.611 4.170 -3.827 0.000 0.248 348 I C 2.467 178.751 176.117 0.278 0.000 1.119 348 I CA 1.090 62.546 61.300 0.261 0.000 1.417 348 I CB -1.275 36.887 38.000 0.270 0.000 1.078 348 I HN 0.375 nan 8.210 nan 0.000 0.421 349 M N 0.921 120.659 119.600 0.231 0.000 2.086 349 M HA -0.174 2.010 4.480 -3.827 0.000 0.261 349 M C 2.250 178.714 176.300 0.273 0.000 1.067 349 M CA 1.756 57.209 55.300 0.255 0.000 1.116 349 M CB -0.442 32.281 32.600 0.204 0.000 1.348 349 M HN -0.040 nan 8.290 nan 0.000 0.407 350 R N 0.419 121.046 120.500 0.212 0.000 2.080 350 R HA -0.030 2.013 4.340 -3.827 0.000 0.236 350 R C 2.307 178.730 176.300 0.205 0.000 1.137 350 R CA 1.758 57.966 56.100 0.180 0.000 0.943 350 R CB -1.726 28.656 30.300 0.138 0.000 0.846 350 R HN 0.587 nan 8.270 nan 0.000 0.431 351 A N 1.840 124.814 122.820 0.257 0.000 1.917 351 A HA -0.203 1.821 4.320 -3.827 0.000 0.219 351 A C 1.975 179.741 177.584 0.303 0.000 1.182 351 A CA 1.759 53.980 52.037 0.307 0.000 0.633 351 A CB -0.535 18.717 19.000 0.421 0.000 0.819 351 A HN 0.355 nan 8.150 nan 0.000 0.448 352 N N -0.596 118.320 118.700 0.361 0.000 2.188 352 N HA -0.141 2.302 4.740 -3.827 0.000 0.184 352 N C 1.977 177.657 175.510 0.285 0.000 1.018 352 N CA 1.463 54.747 53.050 0.390 0.000 0.858 352 N CB -0.269 38.535 38.487 0.528 0.000 0.989 352 N HN 0.674 nan 8.380 nan 0.000 0.426 353 Q N 0.643 120.582 119.800 0.231 0.000 2.084 353 Q HA -0.011 2.033 4.340 -3.827 0.000 0.202 353 Q C 2.145 178.132 176.000 -0.021 0.000 0.978 353 Q CA 1.424 57.231 55.803 0.007 0.000 0.844 353 Q CB -0.105 28.674 28.738 0.069 0.000 0.898 353 Q HN 0.344 nan 8.270 nan 0.000 0.426 354 A N 0.865 123.711 122.820 0.043 0.000 1.902 354 A HA -0.173 1.850 4.320 -3.827 0.000 0.217 354 A C 2.044 179.623 177.584 -0.008 0.000 1.181 354 A CA 1.133 53.180 52.037 0.016 0.000 0.623 354 A CB -0.591 18.445 19.000 0.060 0.000 0.818 354 A HN 0.352 nan 8.150 nan 0.000 0.443 355 L N -1.411 119.817 121.223 0.008 0.000 1.994 355 L HA -0.163 1.880 4.340 -3.827 0.000 0.208 355 L C 2.313 179.162 176.870 -0.035 0.000 1.071 355 L CA 2.520 57.325 54.840 -0.057 0.000 0.745 355 L CB -1.047 40.885 42.059 -0.210 0.000 0.892 355 L HN 0.527 nan 8.230 nan 0.000 0.431 356 Y N -0.012 120.190 120.300 -0.164 0.000 2.165 356 Y HA -0.308 1.948 4.550 -3.822 0.000 0.286 356 Y C 2.389 178.164 175.900 -0.208 0.000 1.155 356 Y CA 1.913 59.880 58.100 -0.221 0.000 1.164 356 Y CB -0.303 37.841 38.460 -0.527 0.000 0.978 356 Y HN 0.351 nan 8.280 nan 0.000 0.513 357 A N 0.356 123.010 122.820 -0.275 0.000 1.869 357 A HA -0.387 1.636 4.320 -3.827 0.000 0.218 357 A C 2.071 179.517 177.584 -0.231 0.000 1.203 357 A CA 2.267 54.119 52.037 -0.308 0.000 0.638 357 A CB -1.250 17.635 19.000 -0.192 0.000 0.831 357 A HN 0.592 nan 8.150 nan 0.000 0.450 358 Q N -0.231 119.488 119.800 -0.136 0.000 2.308 358 Q HA -0.054 1.989 4.340 -3.827 0.000 0.209 358 Q C 1.134 177.084 176.000 -0.084 0.000 0.985 358 Q CA 1.327 57.078 55.803 -0.086 0.000 0.881 358 Q CB -0.468 28.239 28.738 -0.052 0.000 0.917 358 Q HN 0.653 nan 8.270 nan 0.000 0.443 359 L N -0.040 121.107 121.223 -0.126 0.000 2.848 359 L HA 0.107 2.151 4.340 -3.827 0.000 0.240 359 L C 1.056 177.844 176.870 -0.137 0.000 1.232 359 L CA -0.211 54.566 54.840 -0.103 0.000 1.031 359 L CB -0.333 41.696 42.059 -0.050 0.000 1.338 359 L HN 0.272 nan 8.230 nan 0.000 0.509 360 H N 2.080 120.985 119.070 -0.275 0.000 2.357 360 H HA -0.136 2.123 4.556 -3.828 0.000 0.296 360 H C -0.565 174.658 175.328 -0.175 0.000 1.108 360 H CA 1.803 57.688 56.048 -0.271 0.000 1.273 360 H CB -0.740 28.894 29.762 -0.214 0.000 1.367 360 H HN 0.175 nan 8.280 nan 0.000 0.498 361 P HA -0.108 nan 4.420 nan 0.000 0.215 361 P C 1.090 178.321 177.300 -0.116 0.000 1.153 361 P CA 1.950 64.964 63.100 -0.145 0.000 0.853 361 P CB -0.180 31.467 31.700 -0.089 0.000 0.788 362 I N -3.932 116.593 120.570 -0.075 0.000 3.884 362 I HA 0.272 2.146 4.170 -3.827 0.000 0.330 362 I C 1.625 177.731 176.117 -0.018 0.000 1.451 362 I CA -0.185 61.089 61.300 -0.042 0.000 1.165 362 I CB -0.436 37.555 38.000 -0.014 0.000 1.097 362 I HN -0.219 nan 8.210 nan 0.000 0.404 363 K N 2.119 122.489 120.400 -0.050 0.000 2.293 363 K HA -0.257 1.767 4.320 -3.827 0.000 0.204 363 K C 1.777 178.398 176.600 0.033 0.000 1.045 363 K CA 1.916 58.204 56.287 0.001 0.000 0.933 363 K CB 0.072 32.540 32.500 -0.053 0.000 0.736 363 K HN 0.646 nan 8.250 nan 0.000 0.463 364 E N -0.213 119.973 120.200 -0.023 0.000 2.250 364 E HA -0.040 2.014 4.350 -3.827 0.000 0.192 364 E C 0.688 177.239 176.600 -0.081 0.000 0.986 364 E CA 0.844 57.214 56.400 -0.049 0.000 0.849 364 E CB 0.311 29.977 29.700 -0.056 0.000 0.797 364 E HN 0.381 nan 8.360 nan 0.000 0.482 365 S N -0.141 115.533 115.700 -0.043 0.000 2.582 365 S HA 0.293 2.466 4.470 -3.827 0.000 0.234 365 S C 0.378 174.980 174.600 0.003 0.000 0.961 365 S CA -0.401 57.776 58.200 -0.038 0.000 0.953 365 S CB -0.031 63.177 63.200 0.013 0.000 0.800 365 S HN 0.073 nan 8.310 nan 0.000 0.471 366 I N 1.681 122.258 120.570 0.011 0.000 2.389 366 I HA 0.405 2.279 4.170 -3.827 0.000 0.288 366 I C -1.064 175.083 176.117 0.050 0.000 0.999 366 I CA -0.977 60.404 61.300 0.135 0.000 1.129 366 I CB 1.287 39.461 38.000 0.291 0.000 1.288 366 I HN 0.052 nan 8.210 nan 0.000 0.444 367 F N 5.901 125.910 119.950 0.099 0.000 2.462 367 F HA 0.113 2.345 4.527 -3.824 0.000 0.354 367 F C 0.289 176.110 175.800 0.034 0.000 1.192 367 F CA -0.331 57.706 58.000 0.061 0.000 1.173 367 F CB 0.177 39.184 39.000 0.012 0.000 1.402 367 F HN 0.529 nan 8.300 nan 0.000 0.595 368 W N 6.408 127.666 121.300 -0.070 0.000 2.388 368 W HA 0.430 2.803 4.660 -3.812 0.000 0.308 368 W C -0.855 175.591 176.519 -0.122 0.000 1.263 368 W CA -0.753 56.425 57.345 -0.278 0.000 1.286 368 W CB 0.637 29.625 29.460 -0.787 0.000 1.294 368 W HN 0.392 nan 8.180 nan 0.000 0.493 369 R N 4.670 124.674 120.500 -0.826 0.000 2.409 369 R HA 0.108 2.151 4.340 -3.827 0.000 0.313 369 R C -0.623 175.148 176.300 -0.881 0.000 0.953 369 R CA -0.441 55.276 56.100 -0.639 0.000 0.849 369 R CB 1.745 31.858 30.300 -0.311 0.000 1.171 369 R HN 0.556 nan 8.270 nan 0.000 0.458 370 Q N 4.484 123.894 119.800 -0.650 0.000 2.431 370 Q HA 0.325 2.368 4.340 -3.827 0.000 0.249 370 Q C -0.618 175.275 176.000 -0.178 0.000 1.025 370 Q CA -0.713 54.845 55.803 -0.409 0.000 0.835 370 Q CB 1.151 29.801 28.738 -0.146 0.000 1.207 370 Q HN 0.507 nan 8.270 nan 0.000 0.490 371 V N 1.150 120.974 119.914 -0.149 0.000 3.109 371 V HA 0.290 2.114 4.120 -3.827 0.000 0.317 371 V C 1.130 177.198 176.094 -0.042 0.000 1.074 371 V CA -0.043 62.205 62.300 -0.087 0.000 1.033 371 V CB 1.393 33.165 31.823 -0.085 0.000 1.111 371 V HN 0.905 nan 8.190 nan 0.000 0.458 372 D N 1.294 121.669 120.400 -0.043 0.000 2.149 372 D HA -0.013 2.330 4.640 -3.827 0.000 0.198 372 D C 1.016 177.296 176.300 -0.033 0.000 0.990 372 D CA 1.617 55.599 54.000 -0.029 0.000 0.839 372 D CB -0.406 40.363 40.800 -0.051 0.000 0.948 372 D HN 0.826 nan 8.370 nan 0.000 0.460 373 G N -0.672 108.086 108.800 -0.070 0.000 2.543 373 G HA2 0.522 2.185 3.960 -3.827 0.000 0.267 373 G HA3 0.522 2.185 3.960 -3.827 0.000 0.267 373 G C 0.173 175.049 174.900 -0.039 0.000 1.406 373 G CA -0.205 44.830 45.100 -0.108 0.000 1.048 373 G HN 0.453 nan 8.290 nan 0.000 0.548 374 G N -2.384 106.372 108.800 -0.074 0.000 3.119 374 G HA2 0.403 2.067 3.960 -3.827 0.000 0.206 374 G HA3 0.403 2.067 3.960 -3.827 0.000 0.206 374 G C -0.937 173.956 174.900 -0.011 0.000 1.313 374 G CA -0.599 44.506 45.100 0.008 0.000 1.010 374 G HN 0.615 nan 8.290 nan 0.000 0.578 375 H N 0.655 119.695 119.070 -0.049 0.000 3.045 375 H HA 0.427 2.774 4.556 -3.682 0.000 0.254 375 H C -1.111 173.954 175.328 -0.439 0.000 1.747 375 H CA 0.107 56.142 56.048 -0.022 0.000 1.444 375 H CB -0.173 29.638 29.762 0.083 0.000 1.778 375 H HN 0.245 nan 8.280 nan 0.000 0.544 376 D N 2.226 121.918 120.400 -1.179 0.000 2.764 376 D HA 0.166 2.510 4.640 -3.827 0.000 0.227 376 D C 0.697 176.089 176.300 -1.514 0.000 1.347 376 D CA -0.126 53.252 54.000 -1.037 0.000 0.953 376 D CB 1.083 41.564 40.800 -0.531 0.000 1.476 376 D HN 0.440 nan 8.370 nan 0.000 0.585 377 A N 3.383 125.495 122.820 -1.181 0.000 2.024 377 A HA -0.161 1.863 4.320 -3.827 0.000 0.220 377 A C 1.917 179.254 177.584 -0.412 0.000 1.164 377 A CA 1.038 52.649 52.037 -0.710 0.000 0.643 377 A CB -0.240 18.428 19.000 -0.553 0.000 0.806 377 A HN 0.544 nan 8.150 nan 0.000 0.451 378 L N -0.611 120.380 121.223 -0.386 0.000 2.093 378 L HA -0.144 1.900 4.340 -3.827 0.000 0.208 378 L C 2.418 179.045 176.870 -0.406 0.000 1.085 378 L CA 1.983 56.598 54.840 -0.375 0.000 0.755 378 L CB -0.635 41.295 42.059 -0.216 0.000 0.904 378 L HN 0.487 nan 8.230 nan 0.000 0.435 379 C N -1.845 117.192 119.300 -0.438 0.000 2.476 379 C HA -0.117 2.047 4.460 -3.827 0.000 0.278 379 C C 2.422 177.304 174.990 -0.180 0.000 1.274 379 C CA -0.052 58.758 59.018 -0.345 0.000 1.713 379 C CB -1.299 26.226 27.740 -0.359 0.000 2.039 379 C HN 0.714 nan 8.230 nan 0.000 0.484 380 W N 2.387 123.573 121.300 -0.189 0.000 2.342 380 W HA -0.150 4.348 4.660 -0.269 0.000 0.297 380 W C 2.621 179.023 176.519 -0.194 0.000 1.213 380 W CA 1.515 58.766 57.345 -0.156 0.000 1.251 380 W CB -1.243 28.166 29.460 -0.085 0.000 1.136 380 W HN 0.517 nan 8.180 nan 0.000 0.526 381 R N 0.215 120.706 120.500 -0.015 0.000 2.127 381 R HA -0.086 1.958 4.340 -3.827 0.000 0.238 381 R C 2.307 178.466 176.300 -0.234 0.000 1.134 381 R CA 1.843 57.772 56.100 -0.285 0.000 0.975 381 R CB -1.445 28.321 30.300 -0.891 0.000 0.865 381 R HN 0.110 nan 8.270 nan 0.000 0.447 382 G N 0.591 109.256 108.800 -0.225 0.000 2.394 382 G HA2 -0.137 1.527 3.960 -3.827 0.000 0.214 382 G HA3 -0.137 1.527 3.960 -3.827 0.000 0.214 382 G C 1.551 176.435 174.900 -0.026 0.000 1.176 382 G CA 0.480 45.542 45.100 -0.064 0.000 0.786 382 G HN 0.471 nan 8.290 nan 0.000 0.533 383 G N 0.426 109.193 108.800 -0.055 0.000 2.534 383 G HA2 0.001 1.665 3.960 -3.827 0.000 0.217 383 G HA3 0.001 1.665 3.960 -3.827 0.000 0.217 383 G C 1.666 176.495 174.900 -0.118 0.000 1.128 383 G CA 0.841 45.895 45.100 -0.076 0.000 0.784 383 G HN 0.383 nan 8.290 nan 0.000 0.542 384 L N 0.241 121.380 121.223 -0.140 0.000 2.027 384 L HA 0.066 2.109 4.340 -3.827 0.000 0.206 384 L C 2.604 179.372 176.870 -0.171 0.000 1.074 384 L CA 1.627 56.330 54.840 -0.228 0.000 0.745 384 L CB -0.343 41.466 42.059 -0.416 0.000 0.898 384 L HN 0.061 nan 8.230 nan 0.000 0.433 385 M N -0.899 118.657 119.600 -0.073 0.000 2.099 385 M HA -0.169 2.015 4.480 -3.827 0.000 0.262 385 M C 2.372 178.638 176.300 -0.058 0.000 1.067 385 M CA 1.642 56.917 55.300 -0.041 0.000 1.124 385 M CB -1.437 31.187 32.600 0.039 0.000 1.353 385 M HN 0.387 nan 8.290 nan 0.000 0.410 386 Q N 0.254 120.018 119.800 -0.060 0.000 2.124 386 Q HA -0.067 1.977 4.340 -3.827 0.000 0.202 386 Q C 1.980 177.885 176.000 -0.158 0.000 0.977 386 Q CA 2.186 57.938 55.803 -0.084 0.000 0.850 386 Q CB -0.854 27.839 28.738 -0.075 0.000 0.901 386 Q HN 0.546 nan 8.270 nan 0.000 0.429 387 G N -0.044 108.641 108.800 -0.192 0.000 2.422 387 G HA2 -0.157 1.507 3.960 -3.827 0.000 0.218 387 G HA3 -0.157 1.507 3.960 -3.827 0.000 0.218 387 G C 1.312 176.027 174.900 -0.307 0.000 1.140 387 G CA 0.715 45.651 45.100 -0.273 0.000 0.775 387 G HN 0.369 nan 8.290 nan 0.000 0.545 388 L N 0.003 121.077 121.223 -0.249 0.000 2.027 388 L HA 0.016 2.060 4.340 -3.827 0.000 0.206 388 L C 2.841 179.640 176.870 -0.119 0.000 1.074 388 L CA 0.714 55.377 54.840 -0.296 0.000 0.745 388 L CB -0.406 41.563 42.059 -0.151 0.000 0.898 388 L HN 0.170 nan 8.230 nan 0.000 0.433 389 I N 0.098 120.661 120.570 -0.012 0.000 2.151 389 I HA -0.350 1.524 4.170 -3.827 0.000 0.243 389 I C 2.118 178.236 176.117 0.003 0.000 1.080 389 I CA 1.417 62.759 61.300 0.069 0.000 1.339 389 I CB -0.448 37.564 38.000 0.020 0.000 1.039 389 I HN 0.290 nan 8.210 nan 0.000 0.409 390 D N 0.721 121.000 120.400 -0.202 0.000 2.117 390 D HA -0.124 2.219 4.640 -3.827 0.000 0.197 390 D C 2.277 178.367 176.300 -0.350 0.000 0.987 390 D CA 1.297 55.032 54.000 -0.443 0.000 0.829 390 D CB -0.236 39.946 40.800 -1.030 0.000 0.961 390 D HN 0.300 nan 8.370 nan 0.000 0.460 391 L N -0.989 120.047 121.223 -0.311 0.000 2.240 391 L HA -0.051 1.992 4.340 -3.827 0.000 0.211 391 L C 1.767 178.670 176.870 0.056 0.000 1.106 391 L CA 0.372 55.112 54.840 -0.167 0.000 0.793 391 L CB -0.005 41.863 42.059 -0.317 0.000 0.927 391 L HN 0.133 nan 8.230 nan 0.000 0.446 392 W N -0.170 121.158 121.300 0.048 0.000 3.211 392 W HA 0.072 2.441 4.660 -3.819 0.000 0.292 392 W C 2.359 178.979 176.519 0.169 0.000 1.268 392 W CA -0.228 57.168 57.345 0.084 0.000 1.702 392 W CB -0.280 29.228 29.460 0.080 0.000 1.092 392 W HN 0.241 nan 8.180 nan 0.000 0.643 393 Q N 1.424 121.466 119.800 0.403 0.000 2.133 393 Q HA -0.208 1.836 4.340 -3.827 0.000 0.208 393 Q C -0.782 175.460 176.000 0.405 0.000 0.991 393 Q CA 1.983 58.030 55.803 0.407 0.000 0.867 393 Q CB -1.319 27.587 28.738 0.280 0.000 0.911 393 Q HN 0.102 nan 8.270 nan 0.000 0.417 394 P HA -0.112 nan 4.420 nan 0.000 0.223 394 P C 1.124 178.544 177.300 0.200 0.000 1.144 394 P CA 0.977 64.368 63.100 0.485 0.000 0.783 394 P CB -0.206 31.728 31.700 0.391 0.000 0.771 395 L N -3.192 118.052 121.223 0.034 0.000 2.217 395 L HA -0.075 1.968 4.340 -3.827 0.000 0.211 395 L C 1.973 178.587 176.870 -0.427 0.000 1.107 395 L CA 1.133 55.807 54.840 -0.276 0.000 0.783 395 L CB -0.633 41.194 42.059 -0.387 0.000 0.919 395 L HN -0.024 nan 8.230 nan 0.000 0.442 396 F N -1.053 118.858 119.950 -0.066 0.000 2.219 396 F HA -0.051 2.179 4.527 -3.829 0.000 0.294 396 F C 2.027 177.796 175.800 -0.051 0.000 1.086 396 F CA -0.011 57.962 58.000 -0.045 0.000 1.330 396 F CB -0.566 38.448 39.000 0.023 0.000 1.047 396 F HN 0.165 nan 8.300 nan 0.000 0.495 397 H N 0.000 119.188 119.070 0.197 0.000 2.539 397 H HA 0.000 2.259 4.556 -3.828 0.000 0.296 397 H CA 0.000 56.121 56.048 0.122 0.000 1.023 397 H CB 0.000 29.824 29.762 0.103 0.000 1.292 397 H HN 0.000 nan 8.280 nan 0.000 0.496