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 2x5d_1_C DATA FIRST_RESID 21 DATA SEQUENCE FNITAELKMA ARRRGEDIID LSMGNPDGPT PPHIVEKLCT VAQRXXXXXX DATA SEQUENCE XXSRGIPRLR RAISHWYRDR YDVQIDPESE AIVTIGSKEG LAHLMLATLD DATA SEQUENCE HGDTILVPNP SYPIHIYGAV IAGAQVRSVP LVPGIDFFNE LERAIRESIP DATA SEQUENCE KPRMMILGFP SNPTAQCVEL DFFERVVALA KQYDVMVVHD LAYADIVYDG DATA SEQUENCE WKAPSIMQVP GAKDIAVEFF TLSKSYNMAG WRIGFMVGNP ELVSALARIK DATA SEQUENCE SYHDYGTFTP LQVAAIAALE GDQQCVRDIA RQYQQRRDVL VKGLREAGWM DATA SEQUENCE VENPKASMYV WAKIPEPYAH LGSLEFAKKL LQDAKVSVSP GIGFGDYGDD DATA SEQUENCE HVRFALIENR DRLRQAVRGI KAMFRADGL 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 21 F HA 0.000 nan 4.527 nan 0.000 0.279 21 F C 0.000 175.773 175.800 -0.044 0.000 0.967 21 F CA 0.000 57.957 58.000 -0.072 0.000 1.383 21 F CB 0.000 38.952 39.000 -0.080 0.000 1.145 22 N N 1.953 120.718 118.700 0.109 0.000 2.120 22 N HA -0.062 4.679 4.740 0.001 0.000 0.188 22 N C 1.792 177.320 175.510 0.031 0.000 1.024 22 N CA 1.674 54.757 53.050 0.055 0.000 0.852 22 N CB -0.185 38.315 38.487 0.022 0.000 1.003 22 N HN 0.324 nan 8.380 nan 0.000 0.424 23 I N 0.990 121.564 120.570 0.008 0.000 2.099 23 I HA -0.299 3.871 4.170 0.001 0.000 0.239 23 I C 2.216 178.341 176.117 0.013 0.000 1.066 23 I CA 1.703 63.003 61.300 -0.001 0.000 1.324 23 I CB -0.756 37.232 38.000 -0.020 0.000 1.037 23 I HN 0.268 nan 8.210 nan 0.000 0.401 24 T N -0.514 114.058 114.554 0.031 0.000 2.867 24 T HA -0.053 4.298 4.350 0.001 0.000 0.268 24 T C 1.924 176.642 174.700 0.031 0.000 1.057 24 T CA 0.915 63.035 62.100 0.033 0.000 1.136 24 T CB -0.497 68.405 68.868 0.056 0.000 0.874 24 T HN 0.386 nan 8.240 nan 0.000 0.466 25 A N 1.738 124.585 122.820 0.046 0.000 2.015 25 A HA -0.056 4.264 4.320 0.001 0.000 0.219 25 A C 2.433 180.028 177.584 0.018 0.000 1.163 25 A CA 1.027 53.083 52.037 0.032 0.000 0.646 25 A CB -0.340 18.684 19.000 0.040 0.000 0.806 25 A HN 0.463 nan 8.150 nan 0.000 0.448 26 E N 0.065 120.274 120.200 0.015 0.000 2.076 26 E HA -0.055 4.295 4.350 0.001 0.000 0.190 26 E C 2.035 178.636 176.600 0.003 0.000 0.979 26 E CA 0.685 57.090 56.400 0.007 0.000 0.807 26 E CB -0.372 29.331 29.700 0.005 0.000 0.761 26 E HN 0.650 nan 8.360 nan 0.000 0.454 27 L N 1.173 122.397 121.223 0.001 0.000 2.083 27 L HA -0.171 4.169 4.340 0.001 0.000 0.209 27 L C 2.737 179.603 176.870 -0.006 0.000 1.083 27 L CA 1.204 56.042 54.840 -0.004 0.000 0.752 27 L CB -0.379 41.675 42.059 -0.009 0.000 0.899 27 L HN 0.097 nan 8.230 nan 0.000 0.433 28 K N -0.073 120.325 120.400 -0.004 0.000 2.026 28 K HA -0.203 4.117 4.320 0.001 0.000 0.208 28 K C 2.238 178.837 176.600 -0.003 0.000 1.048 28 K CA 1.348 57.632 56.287 -0.006 0.000 0.929 28 K CB 0.050 32.549 32.500 -0.003 0.000 0.713 28 K HN 0.114 nan 8.250 nan 0.000 0.439 29 M N 0.732 120.333 119.600 0.000 0.000 2.132 29 M HA -0.049 4.432 4.480 0.001 0.000 0.263 29 M C 2.472 178.771 176.300 -0.000 0.000 1.065 29 M CA 1.527 56.828 55.300 0.001 0.000 1.122 29 M CB -1.197 31.405 32.600 0.003 0.000 1.365 29 M HN 0.319 nan 8.290 nan 0.000 0.411 30 A N 0.708 123.527 122.820 -0.001 0.000 1.915 30 A HA -0.192 4.129 4.320 0.001 0.000 0.220 30 A C 2.432 180.015 177.584 -0.003 0.000 1.198 30 A CA 2.845 54.880 52.037 -0.002 0.000 0.647 30 A CB -1.147 17.851 19.000 -0.002 0.000 0.825 30 A HN 0.512 nan 8.150 nan 0.000 0.456 31 A N -0.850 121.967 122.820 -0.005 0.000 1.933 31 A HA -0.155 4.165 4.320 0.001 0.000 0.218 31 A C 2.250 179.832 177.584 -0.004 0.000 1.175 31 A CA 1.557 53.590 52.037 -0.006 0.000 0.628 31 A CB -0.439 18.555 19.000 -0.010 0.000 0.814 31 A HN 0.582 nan 8.150 nan 0.000 0.444 32 R N -0.893 119.605 120.500 -0.003 0.000 2.090 32 R HA -0.013 4.328 4.340 0.001 0.000 0.228 32 R C 2.337 178.637 176.300 -0.001 0.000 1.110 32 R CA 1.247 57.346 56.100 -0.001 0.000 0.973 32 R CB -0.228 30.071 30.300 -0.000 0.000 0.869 32 R HN 0.459 nan 8.270 nan 0.000 0.440 33 R N 0.328 120.827 120.500 -0.001 0.000 2.148 33 R HA -0.014 4.326 4.340 0.001 0.000 0.227 33 R C 1.709 178.009 176.300 -0.000 0.000 1.103 33 R CA 0.829 56.929 56.100 -0.000 0.000 0.983 33 R CB 0.006 30.306 30.300 -0.000 0.000 0.874 33 R HN 0.143 nan 8.270 nan 0.000 0.451 34 R N -0.100 120.399 120.500 -0.001 0.000 2.319 34 R HA 0.059 4.400 4.340 0.001 0.000 0.204 34 R C 0.835 177.134 176.300 -0.001 0.000 0.954 34 R CA 0.585 56.684 56.100 -0.001 0.000 1.066 34 R CB 0.380 30.679 30.300 -0.001 0.000 0.991 34 R HN 0.370 nan 8.270 nan 0.000 0.486 35 G N 1.464 110.263 108.800 -0.001 0.000 2.159 35 G HA2 -0.303 3.658 3.960 0.001 0.000 0.256 35 G HA3 -0.303 3.658 3.960 0.001 0.000 0.256 35 G C -0.207 174.692 174.900 -0.001 0.000 0.977 35 G CA -0.042 45.058 45.100 -0.000 0.000 0.652 35 G HN 0.431 nan 8.290 nan 0.000 0.531 36 E N 0.628 120.827 120.200 -0.002 0.000 2.354 36 E HA 0.338 4.689 4.350 0.001 0.000 0.269 36 E C -0.592 176.006 176.600 -0.003 0.000 1.036 36 E CA -0.466 55.932 56.400 -0.003 0.000 0.876 36 E CB 0.884 30.581 29.700 -0.005 0.000 1.009 36 E HN 0.149 nan 8.360 nan 0.000 0.416 37 D N 3.507 123.906 120.400 -0.003 0.000 2.453 37 D HA 0.081 4.721 4.640 0.001 0.000 0.223 37 D C -0.703 175.595 176.300 -0.003 0.000 1.183 37 D CA -0.383 53.616 54.000 -0.002 0.000 0.933 37 D CB 0.016 40.816 40.800 -0.001 0.000 1.038 37 D HN 0.215 nan 8.370 nan 0.000 0.513 38 I N 4.648 125.217 120.570 -0.003 0.000 2.371 38 I HA 0.185 4.355 4.170 0.001 0.000 0.290 38 I C 0.785 176.903 176.117 0.001 0.000 1.028 38 I CA -0.679 60.618 61.300 -0.005 0.000 1.345 38 I CB 0.897 38.893 38.000 -0.008 0.000 1.407 38 I HN 0.280 nan 8.210 nan 0.000 0.501 39 I N 5.532 126.104 120.570 0.004 0.000 2.308 39 I HA 0.037 4.207 4.170 0.001 0.000 0.293 39 I C 0.323 176.451 176.117 0.018 0.000 1.078 39 I CA -0.103 61.206 61.300 0.015 0.000 1.292 39 I CB 0.247 38.260 38.000 0.022 0.000 1.423 39 I HN 0.427 nan 8.210 nan 0.000 0.493 40 D N 8.143 128.555 120.400 0.020 0.000 2.441 40 D HA 0.260 4.901 4.640 0.001 0.000 0.221 40 D C 0.004 176.326 176.300 0.036 0.000 1.156 40 D CA -0.069 53.941 54.000 0.017 0.000 0.896 40 D CB 0.603 41.412 40.800 0.015 0.000 1.028 40 D HN 0.412 nan 8.370 nan 0.000 0.509 41 L N 2.875 124.118 121.223 0.034 0.000 3.154 41 L HA 0.193 4.533 4.340 0.001 0.000 0.266 41 L C 1.401 178.285 176.870 0.023 0.000 1.300 41 L CA -0.220 54.662 54.840 0.071 0.000 1.028 41 L CB 0.184 42.341 42.059 0.163 0.000 1.412 41 L HN 0.287 nan 8.230 nan 0.000 0.564 42 S N -1.169 114.534 115.700 0.005 0.000 2.748 42 S HA 0.188 4.658 4.470 0.001 0.000 0.241 42 S C 0.798 175.386 174.600 -0.020 0.000 1.064 42 S CA -0.216 57.977 58.200 -0.012 0.000 0.892 42 S CB 0.124 63.316 63.200 -0.014 0.000 0.810 42 S HN 0.181 nan 8.310 nan 0.000 0.555 43 M N 2.358 121.948 119.600 -0.016 0.000 2.150 43 M HA 0.443 4.924 4.480 0.001 0.000 0.278 43 M C 0.818 177.118 176.300 0.001 0.000 1.213 43 M CA 0.957 56.239 55.300 -0.031 0.000 1.147 43 M CB 0.234 32.831 32.600 -0.005 0.000 1.371 43 M HN 0.423 nan 8.290 nan 0.000 0.444 44 G N 1.417 110.217 108.800 -0.000 0.000 4.867 44 G HA2 0.298 4.259 3.960 0.001 0.000 0.258 44 G HA3 0.298 4.259 3.960 0.001 0.000 0.258 44 G C -1.139 173.797 174.900 0.060 0.000 0.999 44 G CA -0.579 44.569 45.100 0.081 0.000 0.797 44 G HN 0.770 nan 8.290 nan 0.000 0.505 45 N N 1.934 120.661 118.700 0.044 0.000 2.425 45 N HA 0.486 5.226 4.740 0.001 0.000 0.268 45 N C -2.871 172.677 175.510 0.064 0.000 0.991 45 N CA -1.491 51.581 53.050 0.038 0.000 0.931 45 N CB 1.879 40.383 38.487 0.027 0.000 1.130 45 N HN -0.085 nan 8.380 nan 0.000 0.493 46 P HA -0.070 nan 4.420 nan 0.000 0.260 46 P C 0.081 177.421 177.300 0.067 0.000 1.172 46 P CA 0.201 63.369 63.100 0.113 0.000 0.760 46 P CB 0.528 32.281 31.700 0.088 0.000 0.773 47 D N 1.953 122.390 120.400 0.062 0.000 2.354 47 D HA 0.004 4.644 4.640 0.001 0.000 0.209 47 D C 0.877 177.180 176.300 0.004 0.000 1.015 47 D CA 0.043 54.062 54.000 0.032 0.000 0.867 47 D CB 0.004 40.823 40.800 0.031 0.000 0.933 47 D HN 0.385 nan 8.370 nan 0.000 0.520 48 G N 2.034 110.820 108.800 -0.023 0.000 2.572 48 G HA2 0.393 4.354 3.960 0.001 0.000 0.261 48 G HA3 0.393 4.354 3.960 0.001 0.000 0.261 48 G C -2.393 172.493 174.900 -0.024 0.000 1.197 48 G CA -0.808 44.264 45.100 -0.047 0.000 0.870 48 G HN 0.052 nan 8.290 nan 0.000 0.548 49 P HA 0.264 nan 4.420 nan 0.000 0.286 49 P C -0.183 177.102 177.300 -0.025 0.000 1.261 49 P CA -0.358 62.741 63.100 -0.001 0.000 0.821 49 P CB 1.127 32.833 31.700 0.011 0.000 1.013 50 T N 4.110 118.645 114.554 -0.032 0.000 2.853 50 T HA 0.158 4.508 4.350 0.001 0.000 0.298 50 T C -2.065 172.593 174.700 -0.070 0.000 0.978 50 T CA -0.463 61.566 62.100 -0.119 0.000 1.152 50 T CB -0.905 67.846 68.868 -0.195 0.000 0.914 50 T HN 0.345 nan 8.240 nan 0.000 0.539 51 P HA 0.038 nan 4.420 nan 0.000 0.263 51 P C -1.783 175.489 177.300 -0.046 0.000 1.175 51 P CA -1.117 61.979 63.100 -0.008 0.000 0.761 51 P CB 0.097 31.824 31.700 0.045 0.000 0.794 52 P HA -0.234 nan 4.420 nan 0.000 0.215 52 P C 1.257 178.592 177.300 0.060 0.000 1.157 52 P CA 1.765 64.908 63.100 0.072 0.000 0.874 52 P CB -0.531 31.230 31.700 0.102 0.000 0.790 53 H N -1.762 117.326 119.070 0.030 0.000 2.489 53 H HA -0.050 4.506 4.556 0.001 0.000 0.295 53 H C 1.763 177.104 175.328 0.023 0.000 1.082 53 H CA 0.905 56.969 56.048 0.026 0.000 1.295 53 H CB -1.282 28.494 29.762 0.024 0.000 1.380 53 H HN 0.139 nan 8.280 nan 0.000 0.548 54 I N 0.326 120.536 120.570 -0.601 0.000 2.206 54 I HA -0.187 3.983 4.170 0.001 0.000 0.239 54 I C 2.275 178.361 176.117 -0.052 0.000 1.078 54 I CA 0.767 61.841 61.300 -0.377 0.000 1.367 54 I CB -0.249 37.450 38.000 -0.502 0.000 1.078 54 I HN 0.193 nan 8.210 nan 0.000 0.413 55 V N 1.101 121.029 119.914 0.024 0.000 2.282 55 V HA -0.365 3.755 4.120 0.001 0.000 0.249 55 V C 2.514 178.677 176.094 0.116 0.000 1.057 55 V CA 2.372 64.789 62.300 0.195 0.000 1.032 55 V CB -0.718 31.202 31.823 0.161 0.000 0.645 55 V HN 0.515 nan 8.190 nan 0.000 0.447 56 E N -0.118 120.122 120.200 0.066 0.000 2.113 56 E HA -0.328 4.022 4.350 0.001 0.000 0.210 56 E C 2.289 178.916 176.600 0.045 0.000 1.040 56 E CA 1.928 58.361 56.400 0.055 0.000 0.847 56 E CB -0.108 29.628 29.700 0.060 0.000 0.755 56 E HN 0.409 nan 8.360 nan 0.000 0.459 57 K N 0.382 120.806 120.400 0.041 0.000 2.148 57 K HA -0.102 4.219 4.320 0.001 0.000 0.204 57 K C 2.306 178.914 176.600 0.014 0.000 1.050 57 K CA 0.629 56.930 56.287 0.023 0.000 0.942 57 K CB -0.376 32.133 32.500 0.015 0.000 0.724 57 K HN 0.328 nan 8.250 nan 0.000 0.446 58 L N 0.620 121.878 121.223 0.057 0.000 2.012 58 L HA -0.270 4.070 4.340 0.001 0.000 0.210 58 L C 2.340 179.204 176.870 -0.009 0.000 1.073 58 L CA 1.476 56.330 54.840 0.022 0.000 0.748 58 L CB -0.308 41.785 42.059 0.055 0.000 0.891 58 L HN 0.156 nan 8.230 nan 0.000 0.431 59 C N -0.243 119.068 119.300 0.019 0.000 2.442 59 C HA -0.194 4.267 4.460 0.001 0.000 0.279 59 C C 2.996 177.987 174.990 0.002 0.000 1.237 59 C CA 1.586 60.612 59.018 0.013 0.000 1.722 59 C CB -1.187 26.568 27.740 0.026 0.000 2.056 59 C HN 0.761 nan 8.230 nan 0.000 0.469 60 T N -0.219 114.336 114.554 0.002 0.000 2.652 60 T HA -0.154 4.196 4.350 0.001 0.000 0.267 60 T C 1.536 176.223 174.700 -0.021 0.000 1.039 60 T CA 2.184 64.281 62.100 -0.004 0.000 1.153 60 T CB -0.845 68.024 68.868 0.001 0.000 0.863 60 T HN 0.303 nan 8.240 nan 0.000 0.428 61 V N 2.174 122.062 119.914 -0.042 0.000 2.626 61 V HA 0.046 4.166 4.120 0.001 0.000 0.252 61 V C 3.217 179.258 176.094 -0.088 0.000 1.067 61 V CA 1.230 63.486 62.300 -0.073 0.000 1.081 61 V CB -1.430 30.329 31.823 -0.107 0.000 0.686 61 V HN 0.702 nan 8.190 nan 0.000 0.468 62 A N -0.388 122.386 122.820 -0.076 0.000 1.969 62 A HA -0.234 4.086 4.320 0.001 0.000 0.218 62 A C 2.151 179.742 177.584 0.012 0.000 1.169 62 A CA 1.495 53.518 52.037 -0.022 0.000 0.635 62 A CB -0.376 18.652 19.000 0.046 0.000 0.810 62 A HN 0.607 nan 8.150 nan 0.000 0.445 63 Q N -0.744 119.056 119.800 0.000 0.000 2.369 63 Q HA 0.029 4.369 4.340 0.001 0.000 0.206 63 Q C 0.555 176.554 176.000 -0.002 0.000 0.963 63 Q CA 0.589 56.395 55.803 0.004 0.000 0.894 63 Q CB 0.139 28.878 28.738 0.003 0.000 0.965 63 Q HN 0.594 nan 8.270 nan 0.000 0.475 74 R N 1.308 121.818 120.500 0.016 0.000 2.397 74 R HA 0.487 4.828 4.340 0.001 0.000 0.241 74 R C 0.817 177.134 176.300 0.029 0.000 0.914 74 R CA 0.529 56.640 56.100 0.018 0.000 1.071 74 R CB 1.082 31.384 30.300 0.005 0.000 1.116 74 R HN 0.397 nan 8.270 nan 0.000 0.524 75 G N 1.531 110.352 108.800 0.034 0.000 2.650 75 G HA2 -0.185 3.775 3.960 0.001 0.000 0.686 75 G HA3 -0.185 3.775 3.960 0.001 0.000 0.686 75 G C -0.403 174.505 174.900 0.013 0.000 1.205 75 G CA -1.078 44.042 45.100 0.034 0.000 0.781 75 G HN 0.107 nan 8.290 nan 0.000 0.648 76 I N 3.197 123.771 120.570 0.008 0.000 2.906 76 I HA -0.016 4.154 4.170 0.001 0.000 0.301 76 I C -0.008 176.099 176.117 -0.018 0.000 1.221 76 I CA -0.687 60.609 61.300 -0.007 0.000 1.435 76 I CB 1.086 39.077 38.000 -0.015 0.000 1.345 76 I HN 0.467 nan 8.210 nan 0.000 0.558 77 P HA -0.211 nan 4.420 nan 0.000 0.219 77 P C 1.422 178.698 177.300 -0.040 0.000 1.146 77 P CA 1.326 64.412 63.100 -0.024 0.000 0.808 77 P CB -0.061 31.629 31.700 -0.017 0.000 0.779 78 R N -0.397 120.079 120.500 -0.041 0.000 2.092 78 R HA -0.092 4.249 4.340 0.001 0.000 0.231 78 R C 2.276 178.529 176.300 -0.079 0.000 1.119 78 R CA 0.805 56.871 56.100 -0.058 0.000 0.970 78 R CB -0.755 29.519 30.300 -0.043 0.000 0.864 78 R HN 0.074 nan 8.270 nan 0.000 0.440 79 L N 1.263 122.450 121.223 -0.059 0.000 2.056 79 L HA -0.065 4.275 4.340 0.001 0.000 0.207 79 L C 2.018 178.833 176.870 -0.091 0.000 1.078 79 L CA 1.660 56.464 54.840 -0.060 0.000 0.749 79 L CB -0.329 41.715 42.059 -0.024 0.000 0.901 79 L HN 0.065 nan 8.230 nan 0.000 0.433 80 R N -0.843 119.608 120.500 -0.082 0.000 2.152 80 R HA -0.089 4.252 4.340 0.001 0.000 0.232 80 R C 2.249 178.472 176.300 -0.129 0.000 1.117 80 R CA 1.113 57.152 56.100 -0.103 0.000 0.981 80 R CB -0.263 29.998 30.300 -0.064 0.000 0.870 80 R HN 0.414 nan 8.270 nan 0.000 0.451 81 R N 0.143 120.550 120.500 -0.155 0.000 2.115 81 R HA 0.002 4.342 4.340 0.001 0.000 0.226 81 R C 2.219 178.240 176.300 -0.464 0.000 1.100 81 R CA 1.164 57.097 56.100 -0.279 0.000 0.980 81 R CB -0.170 29.966 30.300 -0.273 0.000 0.875 81 R HN 0.163 nan 8.270 nan 0.000 0.445 82 A N 1.020 123.670 122.820 -0.284 0.000 2.014 82 A HA -0.072 4.248 4.320 0.001 0.000 0.218 82 A C 2.048 179.580 177.584 -0.087 0.000 1.163 82 A CA 0.954 52.880 52.037 -0.186 0.000 0.652 82 A CB -0.300 18.640 19.000 -0.099 0.000 0.808 82 A HN 0.151 nan 8.150 nan 0.000 0.449 83 I N -1.056 119.411 120.570 -0.172 0.000 2.286 83 I HA -0.168 4.003 4.170 0.001 0.000 0.245 83 I C 2.753 178.907 176.117 0.062 0.000 1.104 83 I CA 1.338 62.481 61.300 -0.261 0.000 1.397 83 I CB -0.290 37.353 38.000 -0.596 0.000 1.072 83 I HN 0.363 nan 8.210 nan 0.000 0.417 84 S N 0.137 115.868 115.700 0.052 0.000 2.383 84 S HA -0.232 4.239 4.470 0.001 0.000 0.229 84 S C 2.085 176.908 174.600 0.371 0.000 1.030 84 S CA 1.613 59.932 58.200 0.198 0.000 1.002 84 S CB -0.327 62.968 63.200 0.159 0.000 0.829 84 S HN 0.448 nan 8.310 nan 0.000 0.467 85 H N -1.541 117.603 119.070 0.124 0.000 2.436 85 H HA 0.089 4.646 4.556 0.001 0.000 0.294 85 H C 1.429 176.842 175.328 0.142 0.000 1.048 85 H CA 0.805 56.918 56.048 0.109 0.000 1.353 85 H CB -0.819 28.991 29.762 0.079 0.000 1.414 85 H HN 0.603 nan 8.280 nan 0.000 0.536 86 W N 0.706 122.062 121.300 0.093 0.000 2.338 86 W HA -0.242 4.418 4.660 0.001 0.000 0.304 86 W C 1.609 178.084 176.519 -0.073 0.000 1.212 86 W CA 1.603 58.928 57.345 -0.034 0.000 1.264 86 W CB -0.626 28.779 29.460 -0.092 0.000 1.142 86 W HN 0.128 nan 8.180 nan 0.000 0.512 87 Y N -0.531 119.938 120.300 0.281 0.000 2.373 87 Y HA -0.076 4.475 4.550 0.001 0.000 0.293 87 Y C 2.752 178.704 175.900 0.086 0.000 1.129 87 Y CA 1.806 60.039 58.100 0.223 0.000 1.226 87 Y CB -0.467 38.154 38.460 0.268 0.000 1.000 87 Y HN -0.150 nan 8.280 nan 0.000 0.549 88 R N 0.182 120.799 120.500 0.195 0.000 2.073 88 R HA -0.128 4.213 4.340 0.001 0.000 0.229 88 R C 1.236 177.524 176.300 -0.020 0.000 1.120 88 R CA 1.729 57.880 56.100 0.085 0.000 0.967 88 R CB -0.039 30.289 30.300 0.047 0.000 0.862 88 R HN 0.273 nan 8.270 nan 0.000 0.436 89 D N -0.368 119.984 120.400 -0.080 0.000 2.234 89 D HA -0.060 4.581 4.640 0.001 0.000 0.205 89 D C 1.692 177.815 176.300 -0.295 0.000 0.962 89 D CA 0.923 54.832 54.000 -0.151 0.000 0.855 89 D CB 0.122 40.850 40.800 -0.119 0.000 0.951 89 D HN 0.230 nan 8.370 nan 0.000 0.500 90 R N -1.009 119.178 120.500 -0.523 0.000 2.206 90 R HA 0.116 4.457 4.340 0.001 0.000 0.198 90 R C 0.866 176.611 176.300 -0.926 0.000 0.986 90 R CA 0.474 56.015 56.100 -0.933 0.000 1.029 90 R CB 0.347 29.648 30.300 -1.665 0.000 0.966 90 R HN 0.248 nan 8.270 nan 0.000 0.487 91 Y N -1.023 119.195 120.300 -0.136 0.000 2.728 91 Y HA 0.156 4.706 4.550 0.001 0.000 0.256 91 Y C -0.298 175.613 175.900 0.019 0.000 1.112 91 Y CA -0.655 57.426 58.100 -0.032 0.000 1.240 91 Y CB 0.813 39.297 38.460 0.041 0.000 1.337 91 Y HN -0.037 nan 8.280 nan 0.000 0.559 92 D N 1.004 121.460 120.400 0.093 0.000 2.751 92 D HA -0.164 4.476 4.640 0.001 0.000 0.233 92 D C -1.163 175.202 176.300 0.108 0.000 1.149 92 D CA 0.531 54.574 54.000 0.073 0.000 0.682 92 D CB -0.820 40.011 40.800 0.052 0.000 1.068 92 D HN 0.058 nan 8.370 nan 0.000 0.429 93 V N 1.110 121.126 119.914 0.169 0.000 2.459 93 V HA 0.305 4.426 4.120 0.001 0.000 0.295 93 V C 0.385 176.547 176.094 0.114 0.000 1.029 93 V CA -0.722 61.669 62.300 0.152 0.000 0.874 93 V CB 1.768 33.725 31.823 0.223 0.000 0.985 93 V HN 0.231 nan 8.190 nan 0.000 0.438 94 Q N 4.928 124.758 119.800 0.050 0.000 2.295 94 Q HA 0.377 4.717 4.340 0.001 0.000 0.259 94 Q C -1.456 174.538 176.000 -0.009 0.000 0.976 94 Q CA -0.199 55.622 55.803 0.030 0.000 0.923 94 Q CB 0.879 29.626 28.738 0.015 0.000 1.185 94 Q HN 0.549 nan 8.270 nan 0.000 0.410 95 I N 4.217 124.788 120.570 0.001 0.000 2.468 95 I HA 0.121 4.291 4.170 0.001 0.000 0.285 95 I C -0.644 175.467 176.117 -0.011 0.000 1.039 95 I CA -0.766 60.503 61.300 -0.051 0.000 1.074 95 I CB 1.614 39.551 38.000 -0.105 0.000 1.228 95 I HN 0.639 nan 8.210 nan 0.000 0.436 96 D N 9.989 130.376 120.400 -0.022 0.000 2.359 96 D HA 0.197 4.838 4.640 0.001 0.000 0.250 96 D C -1.291 175.001 176.300 -0.014 0.000 1.264 96 D CA -1.942 52.054 54.000 -0.006 0.000 0.911 96 D CB 1.377 42.171 40.800 -0.010 0.000 1.056 96 D HN 0.225 nan 8.370 nan 0.000 0.499 97 P HA -0.198 nan 4.420 nan 0.000 0.217 97 P C 0.716 178.001 177.300 -0.024 0.000 1.148 97 P CA 1.196 64.282 63.100 -0.023 0.000 0.834 97 P CB 0.398 32.086 31.700 -0.020 0.000 0.783 98 E N -0.401 119.790 120.200 -0.014 0.000 2.216 98 E HA -0.036 4.314 4.350 0.001 0.000 0.192 98 E C 1.657 178.249 176.600 -0.014 0.000 0.988 98 E CA 1.359 57.752 56.400 -0.012 0.000 0.834 98 E CB 0.046 29.742 29.700 -0.006 0.000 0.772 98 E HN 0.409 nan 8.360 nan 0.000 0.479 99 S N -0.929 114.760 115.700 -0.017 0.000 2.679 99 S HA 0.166 4.637 4.470 0.001 0.000 0.258 99 S C 1.082 175.666 174.600 -0.027 0.000 1.068 99 S CA -0.476 57.713 58.200 -0.018 0.000 1.115 99 S CB 0.356 63.548 63.200 -0.013 0.000 1.078 99 S HN 0.051 nan 8.310 nan 0.000 0.603 100 E N 1.080 121.257 120.200 -0.038 0.000 2.583 100 E HA 0.554 4.904 4.350 0.001 0.000 0.213 100 E C -0.010 176.545 176.600 -0.076 0.000 0.989 100 E CA -0.011 56.355 56.400 -0.057 0.000 0.991 100 E CB 1.402 31.062 29.700 -0.066 0.000 1.040 100 E HN 0.549 nan 8.360 nan 0.000 0.481 101 A N 1.431 124.214 122.820 -0.062 0.000 2.515 101 A HA 0.794 5.115 4.320 0.001 0.000 0.298 101 A C -1.349 176.217 177.584 -0.030 0.000 1.059 101 A CA -0.558 51.438 52.037 -0.069 0.000 0.698 101 A CB 1.562 20.494 19.000 -0.114 0.000 1.289 101 A HN 0.170 nan 8.150 nan 0.000 0.404 102 I N 1.420 121.995 120.570 0.009 0.000 2.722 102 I HA 0.433 4.604 4.170 0.001 0.000 0.292 102 I C -1.317 174.873 176.117 0.122 0.000 1.267 102 I CA -0.722 60.607 61.300 0.048 0.000 1.036 102 I CB 2.038 40.062 38.000 0.040 0.000 1.281 102 I HN 0.470 nan 8.210 nan 0.000 0.423 103 V N 5.409 125.395 119.914 0.120 0.000 2.614 103 V HA 0.410 4.530 4.120 0.001 0.000 0.291 103 V C 0.394 176.591 176.094 0.171 0.000 1.049 103 V CA 0.103 62.501 62.300 0.164 0.000 1.038 103 V CB 1.412 33.307 31.823 0.120 0.000 0.980 103 V HN 0.827 nan 8.190 nan 0.000 0.481 104 T N 2.536 117.202 114.554 0.186 0.000 2.908 104 T HA 0.545 4.896 4.350 0.001 0.000 0.290 104 T C -0.121 174.659 174.700 0.134 0.000 1.034 104 T CA -0.777 61.431 62.100 0.180 0.000 1.010 104 T CB 1.535 70.536 68.868 0.221 0.000 1.068 104 T HN 0.260 nan 8.240 nan 0.000 0.481 105 I N 2.563 123.209 120.570 0.128 0.000 2.528 105 I HA 0.349 4.519 4.170 0.001 0.000 0.276 105 I C 1.384 177.517 176.117 0.027 0.000 1.056 105 I CA 0.865 62.222 61.300 0.095 0.000 1.858 105 I CB -1.499 36.579 38.000 0.131 0.000 1.448 105 I HN 1.202 nan 8.210 nan 0.000 0.776 106 G N 1.817 110.625 108.800 0.014 0.000 2.699 106 G HA2 -0.189 3.772 3.960 0.001 0.000 0.686 106 G HA3 -0.189 3.772 3.960 0.001 0.000 0.686 106 G C 0.420 175.280 174.900 -0.067 0.000 1.301 106 G CA -0.284 44.787 45.100 -0.048 0.000 0.816 106 G HN 0.267 nan 8.290 nan 0.000 0.595 107 S N -0.065 115.557 115.700 -0.128 0.000 2.414 107 S HA -0.011 4.459 4.470 0.001 0.000 0.227 107 S C 2.300 176.689 174.600 -0.352 0.000 1.022 107 S CA 1.741 59.802 58.200 -0.233 0.000 0.958 107 S CB -0.084 62.971 63.200 -0.242 0.000 0.797 107 S HN 0.641 nan 8.310 nan 0.000 0.493 108 K N 1.155 121.419 120.400 -0.226 0.000 1.984 108 K HA -0.101 4.219 4.320 0.001 0.000 0.209 108 K C 2.242 178.731 176.600 -0.186 0.000 1.046 108 K CA 1.396 57.566 56.287 -0.194 0.000 0.934 108 K CB -0.179 32.229 32.500 -0.153 0.000 0.717 108 K HN 0.121 nan 8.250 nan 0.000 0.438 109 E N 0.307 120.376 120.200 -0.219 0.000 2.118 109 E HA -0.143 4.207 4.350 0.001 0.000 0.195 109 E C 1.892 178.228 176.600 -0.440 0.000 0.992 109 E CA 1.646 57.859 56.400 -0.312 0.000 0.804 109 E CB -0.434 29.108 29.700 -0.263 0.000 0.741 109 E HN 0.379 nan 8.360 nan 0.000 0.458 110 G N 0.383 109.056 108.800 -0.211 0.000 2.422 110 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 110 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 110 G C 1.448 176.348 174.900 0.001 0.000 1.146 110 G CA 0.867 45.989 45.100 0.036 0.000 0.769 110 G HN 0.333 nan 8.290 nan 0.000 0.547 111 L N 1.371 122.365 121.223 -0.381 0.000 2.056 111 L HA 0.255 4.596 4.340 0.001 0.000 0.207 111 L C 3.024 179.854 176.870 -0.068 0.000 1.078 111 L CA 1.874 56.530 54.840 -0.307 0.000 0.749 111 L CB -0.891 40.911 42.059 -0.429 0.000 0.901 111 L HN 0.232 nan 8.230 nan 0.000 0.433 112 A N -1.278 121.485 122.820 -0.095 0.000 1.908 112 A HA -0.260 4.061 4.320 0.001 0.000 0.218 112 A C 2.150 179.767 177.584 0.055 0.000 1.181 112 A CA 1.965 53.976 52.037 -0.043 0.000 0.627 112 A CB -1.015 17.973 19.000 -0.021 0.000 0.818 112 A HN 0.709 nan 8.150 nan 0.000 0.445 113 H N -1.650 117.452 119.070 0.053 0.000 2.333 113 H HA -0.047 4.510 4.556 0.000 0.000 0.302 113 H C 2.073 177.453 175.328 0.087 0.000 1.075 113 H CA 0.983 57.064 56.048 0.055 0.000 1.348 113 H CB -0.074 29.717 29.762 0.049 0.000 1.393 113 H HN 0.405 nan 8.280 nan 0.000 0.509 114 L N 0.753 122.131 121.223 0.259 0.000 2.043 114 L HA -0.236 4.104 4.340 0.001 0.000 0.212 114 L C 2.195 179.156 176.870 0.152 0.000 1.075 114 L CA 1.637 56.606 54.840 0.216 0.000 0.752 114 L CB -0.416 41.825 42.059 0.304 0.000 0.891 114 L HN 0.286 nan 8.230 nan 0.000 0.432 115 M N -1.510 118.163 119.600 0.123 0.000 2.086 115 M HA -0.241 4.240 4.480 0.001 0.000 0.261 115 M C 2.240 178.588 176.300 0.079 0.000 1.067 115 M CA 1.804 57.154 55.300 0.083 0.000 1.116 115 M CB -0.460 32.169 32.600 0.048 0.000 1.348 115 M HN 0.289 nan 8.290 nan 0.000 0.407 116 L N -0.245 121.033 121.223 0.090 0.000 2.127 116 L HA -0.212 4.129 4.340 0.001 0.000 0.211 116 L C 2.714 179.639 176.870 0.091 0.000 1.089 116 L CA 1.205 56.098 54.840 0.088 0.000 0.757 116 L CB -0.803 41.319 42.059 0.104 0.000 0.899 116 L HN 0.326 nan 8.230 nan 0.000 0.434 117 A N -0.564 122.318 122.820 0.102 0.000 1.968 117 A HA -0.127 4.193 4.320 0.001 0.000 0.217 117 A C 2.206 179.837 177.584 0.078 0.000 1.169 117 A CA 1.869 53.962 52.037 0.092 0.000 0.638 117 A CB -0.455 18.602 19.000 0.095 0.000 0.812 117 A HN 0.499 nan 8.150 nan 0.000 0.446 118 T N -3.577 111.024 114.554 0.078 0.000 3.003 118 T HA 0.508 4.859 4.350 0.001 0.000 0.261 118 T C 0.256 174.991 174.700 0.059 0.000 1.003 118 T CA -0.295 61.846 62.100 0.068 0.000 0.917 118 T CB -0.199 68.713 68.868 0.073 0.000 1.084 118 T HN 0.128 nan 8.240 nan 0.000 0.522 119 L N 2.255 123.513 121.223 0.058 0.000 2.317 119 L HA 0.572 4.912 4.340 0.001 0.000 0.281 119 L C -0.686 176.216 176.870 0.053 0.000 1.024 119 L CA -1.119 53.749 54.840 0.047 0.000 0.810 119 L CB 1.272 43.353 42.059 0.038 0.000 1.240 119 L HN 0.058 nan 8.230 nan 0.000 0.427 120 D N 0.143 120.571 120.400 0.048 0.000 2.302 120 D HA 0.093 4.734 4.640 0.001 0.000 0.248 120 D C -0.050 176.296 176.300 0.076 0.000 1.094 120 D CA -0.259 53.780 54.000 0.065 0.000 0.897 120 D CB 0.882 41.714 40.800 0.053 0.000 1.200 120 D HN 0.387 nan 8.370 nan 0.000 0.429 121 H N 0.441 119.513 119.070 0.004 0.000 3.214 121 H HA 0.122 4.678 4.556 -0.000 0.000 0.291 121 H C 1.432 176.759 175.328 -0.001 0.000 0.926 121 H CA 1.774 57.821 56.048 -0.002 0.000 1.409 121 H CB -0.027 29.732 29.762 -0.005 0.000 1.406 121 H HN 0.663 nan 8.280 nan 0.000 0.561 122 G N 3.663 112.225 108.800 -0.395 0.000 2.175 122 G HA2 -0.255 3.705 3.960 0.001 0.000 0.244 122 G HA3 -0.255 3.705 3.960 0.001 0.000 0.244 122 G C 0.152 174.976 174.900 -0.126 0.000 0.982 122 G CA 0.095 45.023 45.100 -0.287 0.000 0.641 122 G HN 0.693 nan 8.290 nan 0.000 0.527 123 D N 0.899 121.252 120.400 -0.079 0.000 2.363 123 D HA 0.514 5.155 4.640 0.001 0.000 0.240 123 D C 0.710 176.983 176.300 -0.044 0.000 1.236 123 D CA 0.834 54.810 54.000 -0.040 0.000 0.927 123 D CB 0.680 41.473 40.800 -0.012 0.000 1.150 123 D HN 0.145 nan 8.370 nan 0.000 0.458 124 T N 0.543 115.078 114.554 -0.031 0.000 2.855 124 T HA 0.616 4.967 4.350 0.001 0.000 0.281 124 T C 0.268 174.952 174.700 -0.027 0.000 1.007 124 T CA -0.714 61.365 62.100 -0.034 0.000 1.009 124 T CB 0.872 69.719 68.868 -0.035 0.000 0.983 124 T HN 0.298 nan 8.240 nan 0.000 0.455 125 I N -0.027 120.521 120.570 -0.038 0.000 2.740 125 I HA 0.694 4.865 4.170 0.001 0.000 0.303 125 I C -1.259 174.819 176.117 -0.064 0.000 1.044 125 I CA -1.514 59.763 61.300 -0.038 0.000 1.064 125 I CB 1.544 39.523 38.000 -0.035 0.000 1.249 125 I HN 0.435 nan 8.210 nan 0.000 0.433 126 L N 5.051 126.245 121.223 -0.048 0.000 2.322 126 L HA 0.744 5.084 4.340 0.001 0.000 0.279 126 L C -0.620 176.215 176.870 -0.060 0.000 1.036 126 L CA -0.972 53.836 54.840 -0.052 0.000 0.807 126 L CB 1.800 43.839 42.059 -0.034 0.000 1.226 126 L HN 0.426 nan 8.230 nan 0.000 0.433 127 V N 2.617 122.484 119.914 -0.078 0.000 2.808 127 V HA 0.400 4.521 4.120 0.001 0.000 0.308 127 V C -2.408 173.682 176.094 -0.007 0.000 1.099 127 V CA -1.582 60.663 62.300 -0.093 0.000 0.920 127 V CB 2.584 34.215 31.823 -0.319 0.000 1.014 127 V HN 0.572 nan 8.190 nan 0.000 0.425 128 P HA 0.264 nan 4.420 nan 0.000 0.274 128 P C -1.053 176.251 177.300 0.006 0.000 1.231 128 P CA -0.326 62.796 63.100 0.037 0.000 0.790 128 P CB 0.516 32.182 31.700 -0.057 0.000 0.951 129 N N 2.161 120.861 118.700 0.001 0.000 2.461 129 N HA 0.343 5.084 4.740 0.001 0.000 0.284 129 N C -2.979 172.551 175.510 0.033 0.000 1.049 129 N CA -2.345 50.743 53.050 0.063 0.000 0.889 129 N CB 1.640 40.216 38.487 0.149 0.000 1.365 129 N HN 0.148 nan 8.380 nan 0.000 0.499 130 P HA 0.359 nan 4.420 nan 0.000 0.286 130 P C -0.990 176.285 177.300 -0.042 0.000 1.261 130 P CA -0.257 62.899 63.100 0.093 0.000 0.821 130 P CB 1.330 33.112 31.700 0.135 0.000 1.013 131 S N 1.380 117.118 115.700 0.064 0.000 2.596 131 S HA 0.396 4.866 4.470 0.001 0.000 0.270 131 S C -1.345 173.407 174.600 0.254 0.000 1.155 131 S CA -0.828 57.387 58.200 0.026 0.000 0.827 131 S CB 0.788 63.976 63.200 -0.019 0.000 1.130 131 S HN 0.422 nan 8.310 nan 0.000 0.467 132 Y N 2.662 123.028 120.300 0.111 0.000 2.377 132 Y HA 0.442 4.993 4.550 0.001 0.000 0.330 132 Y C -2.266 173.725 175.900 0.152 0.000 1.108 132 Y CA -1.722 56.523 58.100 0.242 0.000 1.308 132 Y CB 0.946 39.469 38.460 0.107 0.000 1.216 132 Y HN 0.477 nan 8.280 nan 0.000 0.518 133 P HA 0.066 nan 4.420 nan 0.000 0.230 133 P C 0.609 177.551 177.300 -0.595 0.000 1.791 133 P CA 0.294 63.115 63.100 -0.465 0.000 1.020 133 P CB -0.834 30.592 31.700 -0.457 0.000 1.977 134 I N -1.491 118.891 120.570 -0.313 0.000 3.001 134 I HA -0.124 4.047 4.170 0.001 0.000 0.268 134 I C 1.832 177.862 176.117 -0.144 0.000 1.267 134 I CA 0.678 61.865 61.300 -0.188 0.000 1.472 134 I CB -0.847 37.133 38.000 -0.034 0.000 1.089 134 I HN 0.172 nan 8.210 nan 0.000 0.468 135 H N 1.196 120.198 119.070 -0.113 0.000 2.512 135 H HA 0.102 4.659 4.556 0.000 0.000 0.279 135 H C 2.041 177.333 175.328 -0.061 0.000 0.999 135 H CA 0.731 56.731 56.048 -0.079 0.000 1.283 135 H CB -0.434 29.292 29.762 -0.060 0.000 1.421 135 H HN 0.423 nan 8.280 nan 0.000 0.554 136 I N 0.771 120.959 120.570 -0.637 0.000 2.163 136 I HA -0.330 3.840 4.170 0.001 0.000 0.243 136 I C 2.633 178.677 176.117 -0.122 0.000 1.085 136 I CA 1.877 62.926 61.300 -0.418 0.000 1.347 136 I CB -0.525 37.224 38.000 -0.418 0.000 1.044 136 I HN 0.164 nan 8.210 nan 0.000 0.408 137 Y N 1.437 121.627 120.300 -0.182 0.000 2.145 137 Y HA -0.226 4.325 4.550 0.001 0.000 0.286 137 Y C 2.436 178.290 175.900 -0.075 0.000 1.145 137 Y CA 1.776 59.807 58.100 -0.114 0.000 1.148 137 Y CB -0.611 37.777 38.460 -0.119 0.000 0.981 137 Y HN 0.108 nan 8.280 nan 0.000 0.507 138 G N -0.082 108.649 108.800 -0.115 0.000 2.446 138 G HA2 -0.322 3.639 3.960 0.001 0.000 0.217 138 G HA3 -0.322 3.639 3.960 0.001 0.000 0.217 138 G C 1.803 176.632 174.900 -0.118 0.000 1.168 138 G CA 1.078 46.093 45.100 -0.141 0.000 0.771 138 G HN 0.618 nan 8.290 nan 0.000 0.551 139 A N 0.162 122.954 122.820 -0.047 0.000 1.873 139 A HA -0.040 4.280 4.320 0.001 0.000 0.218 139 A C 2.635 180.180 177.584 -0.065 0.000 1.193 139 A CA 2.220 54.249 52.037 -0.013 0.000 0.629 139 A CB -0.857 18.188 19.000 0.076 0.000 0.826 139 A HN 0.317 nan 8.150 nan 0.000 0.447 140 V N 0.302 120.151 119.914 -0.109 0.000 2.343 140 V HA -0.227 3.894 4.120 0.001 0.000 0.247 140 V C 2.415 178.427 176.094 -0.137 0.000 1.051 140 V CA 1.731 63.965 62.300 -0.111 0.000 1.036 140 V CB -0.618 31.134 31.823 -0.118 0.000 0.654 140 V HN 0.516 nan 8.190 nan 0.000 0.451 141 I N 0.393 120.805 120.570 -0.263 0.000 2.353 141 I HA -0.082 4.089 4.170 0.001 0.000 0.248 141 I C 2.372 178.440 176.117 -0.081 0.000 1.119 141 I CA 1.868 63.025 61.300 -0.239 0.000 1.417 141 I CB -1.264 36.467 38.000 -0.448 0.000 1.078 141 I HN 0.332 nan 8.210 nan 0.000 0.421 142 A N -0.291 122.495 122.820 -0.058 0.000 2.275 142 A HA 0.398 4.718 4.320 0.001 0.000 0.212 142 A C 1.747 179.369 177.584 0.064 0.000 1.201 142 A CA 0.670 52.718 52.037 0.019 0.000 0.843 142 A CB -0.457 18.547 19.000 0.008 0.000 0.873 142 A HN 0.502 nan 8.150 nan 0.000 0.492 143 G N -1.017 107.801 108.800 0.029 0.000 2.221 143 G HA2 0.074 4.035 3.960 0.001 0.000 0.265 143 G HA3 0.074 4.035 3.960 0.001 0.000 0.265 143 G C 0.356 175.140 174.900 -0.193 0.000 1.041 143 G CA 0.461 45.517 45.100 -0.073 0.000 0.807 143 G HN 1.533 nan 8.290 nan 0.000 0.502 144 A N -0.515 122.251 122.820 -0.090 0.000 2.354 144 A HA 0.701 5.021 4.320 0.001 0.000 0.269 144 A C 0.534 178.079 177.584 -0.064 0.000 1.109 144 A CA -0.070 51.924 52.037 -0.072 0.000 0.800 144 A CB 0.505 19.489 19.000 -0.026 0.000 1.045 144 A HN 0.567 nan 8.150 nan 0.000 0.489 145 Q N 0.391 120.152 119.800 -0.066 0.000 2.214 145 Q HA 0.561 4.902 4.340 0.001 0.000 0.251 145 Q C -1.006 174.970 176.000 -0.041 0.000 0.936 145 Q CA -0.720 55.053 55.803 -0.049 0.000 0.894 145 Q CB 1.968 30.673 28.738 -0.054 0.000 1.252 145 Q HN 0.479 nan 8.270 nan 0.000 0.448 146 V N 1.881 121.774 119.914 -0.034 0.000 2.555 146 V HA 0.477 4.598 4.120 0.001 0.000 0.302 146 V C -0.571 175.495 176.094 -0.047 0.000 1.038 146 V CA -0.780 61.486 62.300 -0.058 0.000 0.887 146 V CB 1.697 33.487 31.823 -0.055 0.000 0.991 146 V HN 0.596 nan 8.190 nan 0.000 0.434 147 R N 3.215 123.679 120.500 -0.060 0.000 2.388 147 R HA 0.533 4.873 4.340 0.001 0.000 0.314 147 R C -0.319 175.957 176.300 -0.040 0.000 0.959 147 R CA -0.214 55.862 56.100 -0.039 0.000 0.851 147 R CB 1.298 31.572 30.300 -0.043 0.000 1.168 147 R HN 0.832 nan 8.270 nan 0.000 0.472 148 S N 2.040 117.736 115.700 -0.007 0.000 2.562 148 S HA 0.542 5.012 4.470 0.001 0.000 0.275 148 S C -0.269 174.335 174.600 0.007 0.000 1.281 148 S CA -0.817 57.389 58.200 0.010 0.000 1.045 148 S CB 1.775 65.015 63.200 0.066 0.000 0.962 148 S HN 0.293 nan 8.310 nan 0.000 0.503 149 V N 3.546 123.464 119.914 0.007 0.000 2.376 149 V HA 0.365 4.485 4.120 0.001 0.000 0.287 149 V C -2.543 173.545 176.094 -0.010 0.000 1.015 149 V CA -2.205 60.096 62.300 0.001 0.000 0.834 149 V CB 1.063 32.903 31.823 0.028 0.000 1.001 149 V HN 0.706 nan 8.190 nan 0.000 0.428 150 P HA 0.093 nan 4.420 nan 0.000 0.261 150 P C -0.694 176.546 177.300 -0.100 0.000 1.183 150 P CA 0.049 62.859 63.100 -0.484 0.000 0.761 150 P CB 0.426 31.668 31.700 -0.764 0.000 0.785 151 L N 6.580 127.726 121.223 -0.129 0.000 2.454 151 L HA 0.475 4.815 4.340 0.001 0.000 0.258 151 L C -0.856 175.960 176.870 -0.091 0.000 1.025 151 L CA -0.535 54.235 54.840 -0.116 0.000 0.901 151 L CB 0.855 42.731 42.059 -0.305 0.000 1.210 151 L HN 0.196 nan 8.230 nan 0.000 0.457 152 V N 1.702 121.606 119.914 -0.017 0.000 3.216 152 V HA 0.752 4.872 4.120 0.001 0.000 0.302 152 V C -2.651 173.493 176.094 0.084 0.000 1.286 152 V CA -1.896 60.438 62.300 0.057 0.000 1.048 152 V CB 1.411 33.310 31.823 0.127 0.000 1.081 152 V HN 0.444 nan 8.190 nan 0.000 0.442 153 P HA 0.479 nan 4.420 nan 0.000 0.271 153 P C 0.782 178.151 177.300 0.115 0.000 1.226 153 P CA 1.652 64.819 63.100 0.113 0.000 0.765 153 P CB 0.767 32.545 31.700 0.131 0.000 0.835 154 G N 2.480 111.342 108.800 0.104 0.000 2.131 154 G HA2 -0.189 3.771 3.960 0.001 0.000 0.223 154 G HA3 -0.189 3.771 3.960 0.001 0.000 0.223 154 G C -0.072 174.887 174.900 0.099 0.000 0.990 154 G CA -0.499 44.660 45.100 0.098 0.000 0.671 154 G HN 0.491 nan 8.290 nan 0.000 0.521 155 I N 0.744 121.376 120.570 0.104 0.000 2.466 155 I HA 0.248 4.419 4.170 0.001 0.000 0.289 155 I C -0.688 175.502 176.117 0.121 0.000 1.026 155 I CA -0.947 60.412 61.300 0.098 0.000 1.078 155 I CB 1.843 39.891 38.000 0.079 0.000 1.249 155 I HN 0.009 nan 8.210 nan 0.000 0.429 156 D N 5.645 126.114 120.400 0.115 0.000 2.349 156 D HA -0.052 4.588 4.640 0.001 0.000 0.266 156 D C 0.709 177.097 176.300 0.146 0.000 1.293 156 D CA 0.401 54.491 54.000 0.149 0.000 0.926 156 D CB 0.432 41.303 40.800 0.119 0.000 1.090 156 D HN 0.445 nan 8.370 nan 0.000 0.502 157 F N 3.629 123.586 119.950 0.013 0.000 2.171 157 F HA -0.170 4.358 4.527 0.001 0.000 0.300 157 F C 1.345 177.002 175.800 -0.239 0.000 1.090 157 F CA 1.179 59.090 58.000 -0.149 0.000 1.293 157 F CB -0.009 38.845 39.000 -0.243 0.000 1.013 157 F HN 0.316 nan 8.300 nan 0.000 0.486 158 F N 0.415 120.270 119.950 -0.158 0.000 2.259 158 F HA -0.121 4.407 4.527 0.001 0.000 0.298 158 F C 2.225 177.887 175.800 -0.230 0.000 1.088 158 F CA 1.374 59.202 58.000 -0.288 0.000 1.358 158 F CB -1.091 37.813 39.000 -0.159 0.000 1.040 158 F HN 0.015 nan 8.300 nan 0.000 0.505 159 N N 0.458 119.172 118.700 0.023 0.000 2.043 159 N HA -0.202 4.539 4.740 0.001 0.000 0.193 159 N C 1.818 177.271 175.510 -0.096 0.000 1.037 159 N CA 1.730 54.771 53.050 -0.014 0.000 0.851 159 N CB -0.104 38.394 38.487 0.018 0.000 1.027 159 N HN 0.055 nan 8.380 nan 0.000 0.422 160 E N 0.008 120.120 120.200 -0.147 0.000 2.106 160 E HA -0.146 4.205 4.350 0.001 0.000 0.192 160 E C 1.976 178.418 176.600 -0.264 0.000 0.984 160 E CA 0.489 56.786 56.400 -0.172 0.000 0.806 160 E CB -0.542 29.075 29.700 -0.139 0.000 0.750 160 E HN 0.388 nan 8.360 nan 0.000 0.458 161 L N 1.597 122.542 121.223 -0.463 0.000 2.005 161 L HA -0.147 4.193 4.340 0.001 0.000 0.207 161 L C 2.332 179.030 176.870 -0.287 0.000 1.072 161 L CA 2.091 56.650 54.840 -0.468 0.000 0.744 161 L CB -0.546 41.039 42.059 -0.790 0.000 0.895 161 L HN 0.073 nan 8.230 nan 0.000 0.433 162 E N -0.557 119.503 120.200 -0.233 0.000 2.077 162 E HA -0.307 4.044 4.350 0.001 0.000 0.193 162 E C 2.447 178.901 176.600 -0.244 0.000 0.989 162 E CA 1.227 57.489 56.400 -0.229 0.000 0.800 162 E CB -0.204 29.442 29.700 -0.091 0.000 0.746 162 E HN 0.466 nan 8.360 nan 0.000 0.452 163 R N 0.007 120.410 120.500 -0.161 0.000 2.091 163 R HA -0.172 4.168 4.340 0.001 0.000 0.238 163 R C 2.195 178.415 176.300 -0.133 0.000 1.136 163 R CA 1.490 57.516 56.100 -0.123 0.000 0.959 163 R CB -0.310 29.941 30.300 -0.082 0.000 0.856 163 R HN 0.230 nan 8.270 nan 0.000 0.437 164 A N 0.704 123.436 122.820 -0.147 0.000 1.930 164 A HA -0.091 4.229 4.320 0.001 0.000 0.217 164 A C 2.116 179.612 177.584 -0.147 0.000 1.175 164 A CA 1.215 53.177 52.037 -0.125 0.000 0.627 164 A CB -0.400 18.529 19.000 -0.118 0.000 0.815 164 A HN 0.362 nan 8.150 nan 0.000 0.443 165 I N -0.974 119.466 120.570 -0.217 0.000 2.226 165 I HA -0.257 3.913 4.170 0.001 0.000 0.245 165 I C 2.694 178.652 176.117 -0.266 0.000 1.100 165 I CA 1.424 62.560 61.300 -0.273 0.000 1.374 165 I CB -0.284 37.431 38.000 -0.475 0.000 1.057 165 I HN 0.269 nan 8.210 nan 0.000 0.413 166 R N 0.381 120.716 120.500 -0.275 0.000 2.200 166 R HA -0.034 4.307 4.340 0.001 0.000 0.208 166 R C 1.694 177.941 176.300 -0.088 0.000 1.033 166 R CA 0.669 56.664 56.100 -0.175 0.000 1.000 166 R CB -0.005 30.209 30.300 -0.143 0.000 0.906 166 R HN 0.413 nan 8.270 nan 0.000 0.462 167 E N 0.006 120.155 120.200 -0.084 0.000 2.474 167 E HA 0.083 4.433 4.350 0.001 0.000 0.194 167 E C -0.293 176.282 176.600 -0.042 0.000 1.041 167 E CA 0.021 56.391 56.400 -0.050 0.000 0.874 167 E CB 0.670 30.343 29.700 -0.044 0.000 0.914 167 E HN 0.017 nan 8.360 nan 0.000 0.498 168 S N 0.912 116.581 115.700 -0.052 0.000 2.480 168 S HA 0.434 4.904 4.470 0.001 0.000 0.286 168 S C -0.161 174.422 174.600 -0.028 0.000 1.180 168 S CA -0.396 57.781 58.200 -0.038 0.000 1.075 168 S CB 0.922 64.095 63.200 -0.044 0.000 0.996 168 S HN 0.091 nan 8.310 nan 0.000 0.487 169 I N 4.262 124.822 120.570 -0.017 0.000 2.468 169 I HA 0.321 4.491 4.170 0.001 0.000 0.285 169 I C -2.060 174.054 176.117 -0.006 0.000 1.039 169 I CA -1.907 59.389 61.300 -0.008 0.000 1.074 169 I CB 1.602 39.600 38.000 -0.003 0.000 1.228 169 I HN 0.437 nan 8.210 nan 0.000 0.436 170 P HA 0.269 nan 4.420 nan 0.000 0.273 170 P C -0.643 176.656 177.300 -0.001 0.000 1.250 170 P CA -0.649 62.454 63.100 0.004 0.000 0.793 170 P CB 0.502 32.207 31.700 0.008 0.000 1.011 171 K N 1.081 121.485 120.400 0.008 0.000 2.485 171 K HA 0.131 4.451 4.320 0.001 0.000 0.277 171 K C -2.052 174.546 176.600 -0.002 0.000 0.990 171 K CA -0.767 55.520 56.287 0.001 0.000 0.994 171 K CB -0.809 31.707 32.500 0.028 0.000 0.906 171 K HN 0.382 nan 8.250 nan 0.000 0.488 172 P HA 0.015 nan 4.420 nan 0.000 0.267 172 P C -0.065 177.241 177.300 0.010 0.000 1.200 172 P CA 0.008 63.101 63.100 -0.011 0.000 0.772 172 P CB 0.682 32.366 31.700 -0.028 0.000 0.855 173 R N 1.511 122.021 120.500 0.016 0.000 2.127 173 R HA 0.152 4.492 4.340 0.001 0.000 0.217 173 R C 0.912 177.239 176.300 0.046 0.000 1.074 173 R CA 1.046 57.166 56.100 0.033 0.000 0.991 173 R CB -0.081 30.239 30.300 0.033 0.000 0.895 173 R HN 0.585 nan 8.270 nan 0.000 0.450 174 M N -0.666 118.958 119.600 0.041 0.000 2.520 174 M HA 0.414 4.895 4.480 0.001 0.000 0.280 174 M C -1.407 174.924 176.300 0.051 0.000 1.232 174 M CA -1.038 54.298 55.300 0.061 0.000 0.892 174 M CB 2.606 35.253 32.600 0.077 0.000 1.728 174 M HN -0.164 nan 8.290 nan 0.000 0.475 175 M N 1.971 121.619 119.600 0.080 0.000 2.456 175 M HA 0.764 5.244 4.480 0.001 0.000 0.324 175 M C -1.986 174.392 176.300 0.130 0.000 1.124 175 M CA -0.663 54.690 55.300 0.088 0.000 0.959 175 M CB 2.164 34.827 32.600 0.105 0.000 1.692 175 M HN 0.786 nan 8.290 nan 0.000 0.444 176 I N 4.112 124.749 120.570 0.112 0.000 2.406 176 I HA 0.582 4.753 4.170 0.001 0.000 0.290 176 I C -1.024 175.177 176.117 0.140 0.000 0.999 176 I CA -0.677 60.698 61.300 0.125 0.000 1.124 176 I CB 1.912 39.950 38.000 0.063 0.000 1.289 176 I HN 0.735 nan 8.210 nan 0.000 0.441 177 L N 4.773 126.117 121.223 0.200 0.000 2.376 177 L HA 0.880 5.220 4.340 0.001 0.000 0.258 177 L C -0.230 176.716 176.870 0.126 0.000 1.013 177 L CA -0.764 54.192 54.840 0.194 0.000 0.822 177 L CB 2.474 44.832 42.059 0.498 0.000 1.388 177 L HN 0.693 nan 8.230 nan 0.000 0.413 178 G N 1.210 109.889 108.800 -0.202 0.000 2.417 178 G HA2 0.641 4.602 3.960 0.001 0.000 0.282 178 G HA3 0.641 4.602 3.960 0.001 0.000 0.282 178 G C -1.675 172.954 174.900 -0.450 0.000 1.388 178 G CA -0.144 44.797 45.100 -0.264 0.000 1.276 178 G HN 0.251 nan 8.290 nan 0.000 0.602 179 F N 1.989 122.205 119.950 0.444 0.000 2.547 179 F HA 0.468 4.996 4.527 0.001 0.000 0.316 179 F C -2.176 173.787 175.800 0.272 0.000 1.121 179 F CA -2.206 55.953 58.000 0.265 0.000 0.911 179 F CB 3.277 42.389 39.000 0.187 0.000 1.179 179 F HN 0.175 nan 8.300 nan 0.000 0.443 180 P HA -0.028 nan 4.420 nan 0.000 0.264 180 P C -0.482 176.778 177.300 -0.066 0.000 1.183 180 P CA 0.152 63.286 63.100 0.057 0.000 0.763 180 P CB 0.830 32.478 31.700 -0.087 0.000 0.807 181 S N 2.932 118.528 115.700 -0.175 0.000 2.586 181 S HA 0.274 4.744 4.470 0.001 0.000 0.274 181 S C -0.050 174.299 174.600 -0.418 0.000 1.281 181 S CA -0.555 57.442 58.200 -0.337 0.000 1.035 181 S CB -0.009 62.948 63.200 -0.404 0.000 0.962 181 S HN 0.336 nan 8.310 nan 0.000 0.512 182 N N 3.355 121.823 118.700 -0.387 0.000 2.424 182 N HA 0.461 5.202 4.740 0.001 0.000 0.271 182 N C -2.039 173.197 175.510 -0.457 0.000 0.985 182 N CA -2.293 50.492 53.050 -0.442 0.000 0.921 182 N CB 1.898 40.198 38.487 -0.313 0.000 1.149 182 N HN 0.414 nan 8.380 nan 0.000 0.492 183 P HA 0.113 nan 4.420 nan 0.000 0.267 183 P C 0.589 177.316 177.300 -0.954 0.000 1.289 183 P CA 0.370 62.838 63.100 -1.054 0.000 0.866 183 P CB 0.220 30.956 31.700 -1.607 0.000 1.309 184 T N -4.134 109.784 114.554 -1.061 0.000 3.100 184 T HA 0.368 4.719 4.350 0.001 0.000 0.253 184 T C 1.388 175.850 174.700 -0.397 0.000 1.118 184 T CA 0.648 62.097 62.100 -1.085 0.000 1.058 184 T CB -0.750 67.512 68.868 -1.010 0.000 0.953 184 T HN 0.095 nan 8.240 nan 0.000 0.515 185 A N 0.340 122.977 122.820 -0.306 0.000 3.420 185 A HA -0.270 4.050 4.320 0.001 0.000 0.269 185 A C 0.567 178.037 177.584 -0.189 0.000 1.122 185 A CA 1.294 53.206 52.037 -0.207 0.000 1.023 185 A CB -2.503 16.440 19.000 -0.095 0.000 1.099 185 A HN 0.819 nan 8.150 nan 0.000 0.860 186 Q N -0.524 119.174 119.800 -0.169 0.000 2.349 186 Q HA 0.332 4.673 4.340 0.001 0.000 0.287 186 Q C -0.341 175.590 176.000 -0.114 0.000 1.044 186 Q CA 0.802 56.537 55.803 -0.114 0.000 0.918 186 Q CB 0.270 28.969 28.738 -0.065 0.000 1.242 186 Q HN 0.761 nan 8.270 nan 0.000 0.405 187 C N 4.090 123.261 119.300 -0.215 0.000 2.507 187 C HA 0.717 5.177 4.460 0.001 0.000 0.319 187 C C -0.174 174.634 174.990 -0.302 0.000 1.208 187 C CA -0.898 57.952 59.018 -0.281 0.000 1.619 187 C CB 0.876 28.292 27.740 -0.541 0.000 2.230 187 C HN 0.718 nan 8.230 nan 0.000 0.492 188 V N 0.779 120.421 119.914 -0.453 0.000 3.103 188 V HA 0.752 4.873 4.120 0.001 0.000 0.318 188 V C -0.579 175.394 176.094 -0.201 0.000 1.114 188 V CA -0.599 61.365 62.300 -0.560 0.000 1.020 188 V CB 1.596 32.562 31.823 -1.429 0.000 1.085 188 V HN 0.907 nan 8.190 nan 0.000 0.446 189 E N 0.598 120.736 120.200 -0.104 0.000 2.302 189 E HA 0.403 4.753 4.350 0.001 0.000 0.255 189 E C 0.425 177.060 176.600 0.058 0.000 1.099 189 E CA -0.716 55.710 56.400 0.044 0.000 0.929 189 E CB 1.389 31.124 29.700 0.059 0.000 1.203 189 E HN 0.647 nan 8.360 nan 0.000 0.459 190 L N 1.839 123.150 121.223 0.148 0.000 2.141 190 L HA -0.153 4.187 4.340 0.001 0.000 0.209 190 L C 1.607 178.588 176.870 0.186 0.000 1.094 190 L CA 1.950 56.928 54.840 0.231 0.000 0.763 190 L CB -0.591 41.580 42.059 0.186 0.000 0.908 190 L HN 0.653 nan 8.230 nan 0.000 0.437 191 D N -1.339 119.124 120.400 0.107 0.000 2.178 191 D HA -0.316 4.324 4.640 0.001 0.000 0.201 191 D C 2.103 178.436 176.300 0.054 0.000 0.980 191 D CA 1.388 55.425 54.000 0.061 0.000 0.842 191 D CB -1.037 39.776 40.800 0.021 0.000 0.948 191 D HN 0.456 nan 8.370 nan 0.000 0.472 192 F N 0.203 120.088 119.950 -0.108 0.000 2.134 192 F HA -0.045 4.483 4.527 0.001 0.000 0.299 192 F C 1.973 177.753 175.800 -0.034 0.000 1.097 192 F CA 1.283 59.215 58.000 -0.114 0.000 1.264 192 F CB -0.240 38.548 39.000 -0.355 0.000 1.001 192 F HN -0.153 nan 8.300 nan 0.000 0.479 193 F N 1.139 121.293 119.950 0.341 0.000 2.186 193 F HA -0.157 4.371 4.527 0.000 0.000 0.299 193 F C 2.568 178.426 175.800 0.096 0.000 1.090 193 F CA 1.098 59.231 58.000 0.222 0.000 1.307 193 F CB -0.587 38.499 39.000 0.143 0.000 1.019 193 F HN 0.120 nan 8.300 nan 0.000 0.489 194 E N 0.789 121.121 120.200 0.220 0.000 2.204 194 E HA -0.226 4.125 4.350 0.001 0.000 0.194 194 E C 2.155 178.770 176.600 0.026 0.000 0.989 194 E CA 0.843 57.306 56.400 0.105 0.000 0.824 194 E CB -0.428 29.311 29.700 0.066 0.000 0.756 194 E HN 0.411 nan 8.360 nan 0.000 0.477 195 R N 0.985 121.450 120.500 -0.059 0.000 2.062 195 R HA -0.051 4.290 4.340 0.001 0.000 0.226 195 R C 2.340 178.632 176.300 -0.014 0.000 1.125 195 R CA 1.113 57.103 56.100 -0.185 0.000 0.966 195 R CB -0.119 29.814 30.300 -0.613 0.000 0.861 195 R HN 0.076 nan 8.270 nan 0.000 0.433 196 V N 0.399 120.390 119.914 0.128 0.000 2.231 196 V HA -0.294 3.826 4.120 0.001 0.000 0.248 196 V C 2.367 178.571 176.094 0.183 0.000 1.054 196 V CA 2.021 64.467 62.300 0.243 0.000 1.015 196 V CB -0.495 31.537 31.823 0.347 0.000 0.638 196 V HN 0.192 nan 8.190 nan 0.000 0.444 197 V N 0.235 120.254 119.914 0.174 0.000 2.282 197 V HA -0.333 3.787 4.120 0.001 0.000 0.249 197 V C 2.716 178.860 176.094 0.083 0.000 1.057 197 V CA 2.340 64.715 62.300 0.125 0.000 1.032 197 V CB -1.288 30.600 31.823 0.109 0.000 0.645 197 V HN 0.596 nan 8.190 nan 0.000 0.447 198 A N -0.418 122.436 122.820 0.056 0.000 1.908 198 A HA -0.215 4.105 4.320 0.001 0.000 0.218 198 A C 2.172 179.776 177.584 0.034 0.000 1.181 198 A CA 2.214 54.266 52.037 0.024 0.000 0.627 198 A CB -0.599 18.397 19.000 -0.007 0.000 0.818 198 A HN 0.469 nan 8.150 nan 0.000 0.445 199 L N -0.271 120.993 121.223 0.068 0.000 2.017 199 L HA -0.039 4.301 4.340 0.001 0.000 0.208 199 L C 2.656 179.630 176.870 0.173 0.000 1.073 199 L CA 2.255 57.173 54.840 0.130 0.000 0.745 199 L CB -0.787 41.371 42.059 0.166 0.000 0.894 199 L HN 0.329 nan 8.230 nan 0.000 0.432 200 A N -0.792 122.116 122.820 0.147 0.000 1.972 200 A HA -0.210 4.111 4.320 0.001 0.000 0.219 200 A C 2.320 179.971 177.584 0.112 0.000 1.169 200 A CA 1.810 53.934 52.037 0.146 0.000 0.635 200 A CB -0.494 18.586 19.000 0.133 0.000 0.810 200 A HN 0.519 nan 8.150 nan 0.000 0.446 201 K N -0.809 119.632 120.400 0.069 0.000 2.057 201 K HA -0.177 4.144 4.320 0.001 0.000 0.206 201 K C 2.344 178.933 176.600 -0.019 0.000 1.050 201 K CA 1.376 57.680 56.287 0.028 0.000 0.935 201 K CB -0.180 32.328 32.500 0.013 0.000 0.715 201 K HN 0.662 nan 8.250 nan 0.000 0.439 202 Q N -0.100 119.661 119.800 -0.065 0.000 2.112 202 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 202 Q C 0.998 176.765 176.000 -0.389 0.000 0.987 202 Q CA 1.802 57.446 55.803 -0.266 0.000 0.858 202 Q CB 0.051 28.550 28.738 -0.397 0.000 0.905 202 Q HN 0.405 nan 8.270 nan 0.000 0.420 203 Y N -0.677 119.629 120.300 0.010 0.000 2.444 203 Y HA 0.154 4.704 4.550 0.001 0.000 0.249 203 Y C -0.119 175.789 175.900 0.014 0.000 1.134 203 Y CA -0.020 58.085 58.100 0.009 0.000 1.261 203 Y CB 0.898 39.362 38.460 0.006 0.000 1.143 203 Y HN 0.054 nan 8.280 nan 0.000 0.523 204 D N 0.979 121.454 120.400 0.125 0.000 2.718 204 D HA -0.142 4.498 4.640 0.001 0.000 0.242 204 D C -1.191 175.170 176.300 0.101 0.000 1.123 204 D CA 0.345 54.398 54.000 0.089 0.000 0.690 204 D CB -0.905 39.932 40.800 0.062 0.000 1.059 204 D HN 0.001 nan 8.370 nan 0.000 0.429 205 V N 2.337 122.321 119.914 0.116 0.000 2.417 205 V HA 0.344 4.464 4.120 0.001 0.000 0.291 205 V C 0.995 177.146 176.094 0.095 0.000 1.024 205 V CA -0.708 61.650 62.300 0.096 0.000 0.861 205 V CB 1.780 33.657 31.823 0.090 0.000 0.985 205 V HN 0.293 nan 8.190 nan 0.000 0.436 206 M N 5.140 124.792 119.600 0.086 0.000 2.245 206 M HA 0.364 4.844 4.480 0.001 0.000 0.344 206 M C -1.000 175.370 176.300 0.117 0.000 1.170 206 M CA 0.197 55.554 55.300 0.095 0.000 1.135 206 M CB 1.007 33.661 32.600 0.090 0.000 1.574 206 M HN 0.463 nan 8.290 nan 0.000 0.452 207 V N 5.809 125.802 119.914 0.133 0.000 2.398 207 V HA 0.451 4.572 4.120 0.001 0.000 0.286 207 V C -0.491 175.720 176.094 0.195 0.000 1.026 207 V CA -0.745 61.659 62.300 0.173 0.000 0.868 207 V CB 1.572 33.509 31.823 0.190 0.000 0.982 207 V HN 0.677 nan 8.190 nan 0.000 0.443 208 V N 4.638 124.693 119.914 0.235 0.000 2.409 208 V HA 0.445 4.565 4.120 0.001 0.000 0.291 208 V C -0.335 175.967 176.094 0.348 0.000 1.020 208 V CA -0.552 61.924 62.300 0.292 0.000 0.848 208 V CB 1.475 33.481 31.823 0.305 0.000 0.990 208 V HN 0.918 nan 8.190 nan 0.000 0.430 209 H N 3.617 122.837 119.070 0.249 0.000 2.524 209 H HA 0.419 4.975 4.556 0.000 0.000 0.353 209 H C -1.541 173.951 175.328 0.275 0.000 1.136 209 H CA -0.645 55.547 56.048 0.239 0.000 1.193 209 H CB 2.278 32.142 29.762 0.170 0.000 1.558 209 H HN 0.648 nan 8.280 nan 0.000 0.515 210 D N 5.016 125.155 120.400 -0.434 0.000 2.427 210 D HA 0.044 4.685 4.640 0.001 0.000 0.226 210 D C 0.046 176.112 176.300 -0.391 0.000 1.076 210 D CA -0.528 53.329 54.000 -0.238 0.000 0.849 210 D CB 0.908 41.639 40.800 -0.115 0.000 1.052 210 D HN 0.389 nan 8.370 nan 0.000 0.515 211 L N 4.013 125.195 121.223 -0.069 0.000 2.672 211 L HA 0.310 4.651 4.340 0.001 0.000 0.236 211 L C 1.897 178.932 176.870 0.276 0.000 1.186 211 L CA 0.269 55.225 54.840 0.192 0.000 0.977 211 L CB -0.795 41.523 42.059 0.432 0.000 1.203 211 L HN 0.520 nan 8.230 nan 0.000 0.448 212 A N -0.387 122.439 122.820 0.011 0.000 1.915 212 A HA -0.265 4.055 4.320 0.001 0.000 0.220 212 A C 1.395 178.756 177.584 -0.371 0.000 1.198 212 A CA 2.046 53.883 52.037 -0.333 0.000 0.647 212 A CB -0.847 17.862 19.000 -0.485 0.000 0.825 212 A HN 0.528 nan 8.150 nan 0.000 0.456 213 Y N -0.990 119.315 120.300 0.008 0.000 2.683 213 Y HA 0.487 5.037 4.550 0.000 0.000 0.297 213 Y C 2.053 177.967 175.900 0.024 0.000 1.147 213 Y CA -0.186 57.892 58.100 -0.037 0.000 1.274 213 Y CB -0.357 38.024 38.460 -0.132 0.000 1.143 213 Y HN 0.327 nan 8.280 nan 0.000 0.527 214 A N -0.010 122.979 122.820 0.281 0.000 1.902 214 A HA -0.176 4.144 4.320 0.001 0.000 0.217 214 A C 1.836 179.508 177.584 0.147 0.000 1.181 214 A CA 2.065 54.254 52.037 0.253 0.000 0.623 214 A CB -0.264 18.957 19.000 0.368 0.000 0.818 214 A HN 0.317 nan 8.150 nan 0.000 0.443 215 D N -0.409 120.090 120.400 0.166 0.000 2.347 215 D HA 0.045 4.686 4.640 0.001 0.000 0.213 215 D C 0.228 176.525 176.300 -0.004 0.000 0.985 215 D CA 0.350 54.387 54.000 0.061 0.000 0.879 215 D CB 0.045 40.880 40.800 0.058 0.000 0.919 215 D HN 0.241 nan 8.370 nan 0.000 0.526 216 I N 2.787 123.341 120.570 -0.028 0.000 2.206 216 I HA 0.080 4.250 4.170 0.001 0.000 0.292 216 I C 0.297 176.172 176.117 -0.403 0.000 1.156 216 I CA -0.216 61.012 61.300 -0.121 0.000 1.356 216 I CB -0.303 37.646 38.000 -0.085 0.000 1.494 216 I HN -0.278 nan 8.210 nan 0.000 0.601 217 V N 2.621 122.310 119.914 -0.374 0.000 2.914 217 V HA 0.663 4.784 4.120 0.001 0.000 0.314 217 V C -1.050 174.853 176.094 -0.319 0.000 1.084 217 V CA -0.784 61.232 62.300 -0.474 0.000 0.963 217 V CB 2.311 34.032 31.823 -0.170 0.000 1.025 217 V HN 0.261 nan 8.190 nan 0.000 0.432 218 Y N 0.128 120.466 120.300 0.064 0.000 2.630 218 Y HA 0.641 5.191 4.550 0.001 0.000 0.337 218 Y C 0.623 176.626 175.900 0.173 0.000 1.051 218 Y CA -1.031 57.127 58.100 0.096 0.000 1.121 218 Y CB 0.871 39.368 38.460 0.061 0.000 1.299 218 Y HN 0.828 nan 8.280 nan 0.000 0.498 219 D N 0.115 120.701 120.400 0.311 0.000 2.983 219 D HA -0.170 4.470 4.640 0.001 0.000 0.225 219 D C 1.158 177.564 176.300 0.177 0.000 1.174 219 D CA 1.842 55.971 54.000 0.215 0.000 0.831 219 D CB -1.337 39.603 40.800 0.235 0.000 1.104 219 D HN 1.134 nan 8.370 nan 0.000 0.421 220 G N -1.439 107.465 108.800 0.173 0.000 2.176 220 G HA2 -0.299 3.661 3.960 0.001 0.000 0.232 220 G HA3 -0.299 3.661 3.960 0.001 0.000 0.232 220 G C -0.018 174.973 174.900 0.152 0.000 0.986 220 G CA 0.146 45.316 45.100 0.116 0.000 0.643 220 G HN 0.280 nan 8.290 nan 0.000 0.522 221 W N 1.961 123.276 121.300 0.024 0.000 2.202 221 W HA 0.680 5.340 4.660 0.001 0.000 0.332 221 W C 0.081 176.600 176.519 0.001 0.000 1.263 221 W CA -0.223 57.130 57.345 0.013 0.000 1.223 221 W CB 0.653 30.120 29.460 0.012 0.000 1.128 221 W HN 0.078 nan 8.180 nan 0.000 0.573 222 K N 3.731 124.415 120.400 0.472 0.000 2.376 222 K HA 0.582 4.902 4.320 0.001 0.000 0.257 222 K C -0.354 176.481 176.600 0.391 0.000 0.939 222 K CA -0.726 55.735 56.287 0.290 0.000 0.809 222 K CB 1.782 34.360 32.500 0.131 0.000 1.121 222 K HN 0.366 nan 8.250 nan 0.000 0.425 223 A N 4.406 127.380 122.820 0.257 0.000 2.409 223 A HA 0.361 4.681 4.320 0.001 0.000 0.262 223 A C -2.088 175.711 177.584 0.358 0.000 1.113 223 A CA -1.128 51.064 52.037 0.258 0.000 0.790 223 A CB -0.329 18.781 19.000 0.183 0.000 1.046 223 A HN 0.449 nan 8.150 nan 0.000 0.496 224 P HA 0.256 nan 4.420 nan 0.000 0.282 224 P C -0.330 176.984 177.300 0.023 0.000 1.249 224 P CA -0.254 63.001 63.100 0.259 0.000 0.806 224 P CB 1.505 33.407 31.700 0.336 0.000 0.984 225 S N 1.648 117.122 115.700 -0.376 0.000 2.541 225 S HA 0.238 4.708 4.470 0.001 0.000 0.283 225 S C 1.290 175.623 174.600 -0.446 0.000 1.196 225 S CA -0.849 57.048 58.200 -0.505 0.000 1.062 225 S CB 0.128 62.840 63.200 -0.814 0.000 1.009 225 S HN 0.478 nan 8.310 nan 0.000 0.502 226 I N 4.165 124.333 120.570 -0.671 0.000 2.530 226 I HA -0.126 4.044 4.170 0.001 0.000 0.257 226 I C 1.340 177.317 176.117 -0.233 0.000 1.179 226 I CA 1.167 62.055 61.300 -0.686 0.000 1.440 226 I CB 0.042 37.668 38.000 -0.623 0.000 1.087 226 I HN 0.666 nan 8.210 nan 0.000 0.440 227 M N -0.696 118.809 119.600 -0.158 0.000 2.659 227 M HA -0.050 4.431 4.480 0.001 0.000 0.243 227 M C 1.782 178.058 176.300 -0.040 0.000 1.111 227 M CA 1.022 56.265 55.300 -0.095 0.000 1.070 227 M CB -0.918 31.593 32.600 -0.149 0.000 1.525 227 M HN 0.355 nan 8.290 nan 0.000 0.517 228 Q N 0.053 119.836 119.800 -0.028 0.000 2.389 228 Q HA 0.060 4.401 4.340 0.001 0.000 0.204 228 Q C 0.177 176.202 176.000 0.041 0.000 0.944 228 Q CA 0.211 56.034 55.803 0.034 0.000 0.908 228 Q CB 0.417 29.194 28.738 0.065 0.000 1.002 228 Q HN 0.253 nan 8.270 nan 0.000 0.493 229 V N 4.422 124.356 119.914 0.033 0.000 2.446 229 V HA 0.083 4.204 4.120 0.001 0.000 0.276 229 V C -1.965 174.147 176.094 0.030 0.000 1.030 229 V CA -1.424 60.907 62.300 0.050 0.000 1.033 229 V CB 0.006 31.872 31.823 0.073 0.000 0.993 229 V HN 0.146 nan 8.190 nan 0.000 0.477 230 P HA 0.091 nan 4.420 nan 0.000 0.265 230 P C 0.876 178.185 177.300 0.014 0.000 1.193 230 P CA 1.070 64.181 63.100 0.018 0.000 0.765 230 P CB 0.674 32.384 31.700 0.017 0.000 0.823 231 G N 2.606 111.410 108.800 0.007 0.000 2.160 231 G HA2 -0.274 3.686 3.960 0.001 0.000 0.251 231 G HA3 -0.274 3.686 3.960 0.001 0.000 0.251 231 G C 1.040 175.945 174.900 0.008 0.000 1.008 231 G CA 0.355 45.459 45.100 0.005 0.000 0.724 231 G HN 0.736 nan 8.290 nan 0.000 0.514 232 A N -0.112 122.710 122.820 0.004 0.000 1.969 232 A HA 0.089 4.409 4.320 0.001 0.000 0.218 232 A C 2.195 179.778 177.584 -0.001 0.000 1.169 232 A CA 2.032 54.072 52.037 0.006 0.000 0.635 232 A CB -0.318 18.675 19.000 -0.011 0.000 0.810 232 A HN 0.569 nan 8.150 nan 0.000 0.445 233 K N -0.046 120.345 120.400 -0.016 0.000 2.362 233 K HA -0.096 4.224 4.320 0.001 0.000 0.200 233 K C 0.813 177.411 176.600 -0.005 0.000 1.046 233 K CA 1.013 57.288 56.287 -0.022 0.000 0.952 233 K CB -0.130 32.350 32.500 -0.034 0.000 0.753 233 K HN 0.392 nan 8.250 nan 0.000 0.466 234 D N 0.563 120.965 120.400 0.004 0.000 2.219 234 D HA -0.111 4.530 4.640 0.001 0.000 0.205 234 D C 1.401 177.714 176.300 0.022 0.000 0.970 234 D CA 1.104 55.111 54.000 0.011 0.000 0.851 234 D CB 0.239 41.046 40.800 0.012 0.000 0.943 234 D HN 0.159 nan 8.370 nan 0.000 0.488 235 I N -1.490 119.099 120.570 0.030 0.000 4.655 235 I HA 0.261 4.431 4.170 0.001 0.000 0.333 235 I C -0.402 175.751 176.117 0.060 0.000 1.312 235 I CA 0.010 61.339 61.300 0.049 0.000 1.270 235 I CB 0.844 38.879 38.000 0.058 0.000 1.318 235 I HN -0.175 nan 8.210 nan 0.000 0.456 236 A N 0.153 123.001 122.820 0.047 0.000 2.469 236 A HA 0.849 5.170 4.320 0.001 0.000 0.299 236 A C -1.180 176.423 177.584 0.031 0.000 1.098 236 A CA -0.234 51.840 52.037 0.061 0.000 0.737 236 A CB 1.563 20.605 19.000 0.070 0.000 1.312 236 A HN 0.242 nan 8.150 nan 0.000 0.414 237 V N -1.691 118.252 119.914 0.049 0.000 3.001 237 V HA 0.896 5.016 4.120 0.001 0.000 0.314 237 V C -0.619 175.496 176.094 0.035 0.000 1.099 237 V CA -0.655 61.638 62.300 -0.012 0.000 0.989 237 V CB 1.671 33.456 31.823 -0.064 0.000 1.040 237 V HN 1.026 nan 8.190 nan 0.000 0.434 238 E N 1.029 121.218 120.200 -0.019 0.000 2.292 238 E HA 0.641 4.992 4.350 0.001 0.000 0.272 238 E C -2.142 174.491 176.600 0.056 0.000 0.881 238 E CA -0.659 55.818 56.400 0.128 0.000 0.754 238 E CB 2.336 32.184 29.700 0.247 0.000 1.201 238 E HN 0.670 nan 8.360 nan 0.000 0.425 239 F N 3.173 123.231 119.950 0.180 0.000 2.469 239 F HA 0.506 5.033 4.527 0.001 0.000 0.332 239 F C -0.673 175.155 175.800 0.047 0.000 1.103 239 F CA -0.731 57.329 58.000 0.101 0.000 0.979 239 F CB 1.264 40.274 39.000 0.016 0.000 1.137 239 F HN 0.360 nan 8.300 nan 0.000 0.463 240 F N 2.478 122.283 119.950 -0.241 0.000 2.507 240 F HA 0.422 4.949 4.527 0.001 0.000 0.328 240 F C -0.259 175.197 175.800 -0.573 0.000 1.136 240 F CA -0.612 57.060 58.000 -0.545 0.000 0.930 240 F CB 1.515 39.881 39.000 -1.055 0.000 1.166 240 F HN 0.316 nan 8.300 nan 0.000 0.436 241 T N 6.279 120.256 114.554 -0.961 0.000 2.799 241 T HA 0.317 4.668 4.350 0.001 0.000 0.286 241 T C 0.831 174.886 174.700 -1.074 0.000 0.973 241 T CA -0.390 61.255 62.100 -0.758 0.000 1.035 241 T CB 0.773 69.342 68.868 -0.499 0.000 0.932 241 T HN 0.629 nan 8.240 nan 0.000 0.469 242 L N 4.648 125.524 121.223 -0.578 0.000 2.551 242 L HA 0.059 4.399 4.340 0.001 0.000 0.228 242 L C 2.701 179.456 176.870 -0.192 0.000 1.153 242 L CA 1.114 55.794 54.840 -0.265 0.000 0.851 242 L CB -0.662 41.336 42.059 -0.102 0.000 0.959 242 L HN 0.866 nan 8.230 nan 0.000 0.451 243 S N -0.784 114.742 115.700 -0.289 0.000 2.353 243 S HA -0.201 4.269 4.470 0.001 0.000 0.222 243 S C 2.078 176.565 174.600 -0.188 0.000 1.035 243 S CA 0.930 59.003 58.200 -0.211 0.000 1.025 243 S CB -0.143 62.944 63.200 -0.189 0.000 0.902 243 S HN 0.263 nan 8.310 nan 0.000 0.440 244 K N 1.648 121.885 120.400 -0.273 0.000 2.044 244 K HA 0.244 4.564 4.320 0.001 0.000 0.204 244 K C 2.522 179.060 176.600 -0.103 0.000 1.049 244 K CA 1.296 57.454 56.287 -0.214 0.000 0.945 244 K CB -1.234 30.999 32.500 -0.444 0.000 0.724 244 K HN 0.463 nan 8.250 nan 0.000 0.440 245 S N 0.286 115.904 115.700 -0.138 0.000 2.453 245 S HA -0.055 4.415 4.470 0.001 0.000 0.231 245 S C 0.613 174.997 174.600 -0.361 0.000 1.005 245 S CA 0.795 58.880 58.200 -0.192 0.000 0.949 245 S CB -0.141 62.974 63.200 -0.141 0.000 0.774 245 S HN 0.301 nan 8.310 nan 0.000 0.510 246 Y N 0.726 120.991 120.300 -0.058 0.000 2.738 246 Y HA 0.344 4.894 4.550 0.001 0.000 0.249 246 Y C 0.103 175.881 175.900 -0.204 0.000 1.153 246 Y CA -1.126 56.906 58.100 -0.112 0.000 1.165 246 Y CB -0.313 38.056 38.460 -0.151 0.000 1.235 246 Y HN -0.018 nan 8.280 nan 0.000 0.559 247 N N 1.239 119.909 118.700 -0.051 0.000 2.686 247 N HA -0.223 4.517 4.740 0.001 0.000 0.261 247 N C -0.315 175.046 175.510 -0.248 0.000 1.001 247 N CA 1.115 54.105 53.050 -0.101 0.000 0.764 247 N CB -1.003 37.433 38.487 -0.085 0.000 0.898 247 N HN 0.536 nan 8.380 nan 0.000 0.544 248 M N -0.601 118.820 119.600 -0.300 0.000 2.959 248 M HA 0.268 4.749 4.480 0.001 0.000 0.337 248 M C 0.405 176.582 176.300 -0.206 0.000 1.220 248 M CA -0.340 54.599 55.300 -0.602 0.000 0.893 248 M CB 0.717 32.899 32.600 -0.696 0.000 1.322 248 M HN 0.265 nan 8.290 nan 0.000 0.519 249 A N 0.222 123.011 122.820 -0.051 0.000 2.492 249 A HA 0.528 4.849 4.320 0.001 0.000 0.254 249 A C 1.344 179.062 177.584 0.223 0.000 1.091 249 A CA 0.890 52.962 52.037 0.059 0.000 0.768 249 A CB -0.336 18.687 19.000 0.039 0.000 1.028 249 A HN 0.979 nan 8.150 nan 0.000 0.498 250 G N 1.145 110.058 108.800 0.188 0.000 2.195 250 G HA2 -0.252 3.708 3.960 0.001 0.000 0.246 250 G HA3 -0.252 3.708 3.960 0.001 0.000 0.246 250 G C 0.513 175.548 174.900 0.225 0.000 0.984 250 G CA 0.620 45.826 45.100 0.177 0.000 0.633 250 G HN 0.736 nan 8.290 nan 0.000 0.525 251 W N 0.629 121.912 121.300 -0.028 0.000 2.658 251 W HA 0.399 5.059 4.660 0.000 0.000 0.263 251 W C 1.501 178.012 176.519 -0.013 0.000 1.274 251 W CA 0.585 57.923 57.345 -0.013 0.000 1.343 251 W CB 0.133 29.583 29.460 -0.017 0.000 1.106 251 W HN 0.261 nan 8.180 nan 0.000 0.615 252 R N -0.193 120.408 120.500 0.167 0.000 3.209 252 R HA -0.229 4.112 4.340 0.001 0.000 0.252 252 R C -0.908 175.444 176.300 0.086 0.000 0.958 252 R CA 0.674 56.817 56.100 0.072 0.000 0.651 252 R CB -2.789 27.538 30.300 0.046 0.000 1.142 252 R HN 0.237 nan 8.270 nan 0.000 0.441 253 I N -1.207 119.408 120.570 0.074 0.000 2.571 253 I HA 0.716 4.886 4.170 0.001 0.000 0.289 253 I C 0.280 176.386 176.117 -0.019 0.000 1.115 253 I CA 0.025 61.366 61.300 0.069 0.000 1.045 253 I CB 2.144 40.219 38.000 0.125 0.000 1.238 253 I HN 0.331 nan 8.210 nan 0.000 0.424 254 G N 5.527 114.322 108.800 -0.008 0.000 2.753 254 G HA2 0.723 4.684 3.960 0.001 0.000 0.303 254 G HA3 0.723 4.684 3.960 0.001 0.000 0.303 254 G C -1.565 173.361 174.900 0.043 0.000 1.242 254 G CA -0.351 44.673 45.100 -0.128 0.000 0.810 254 G HN 0.783 nan 8.290 nan 0.000 0.515 255 F N -2.462 117.559 119.950 0.118 0.000 2.711 255 F HA 0.845 5.373 4.527 0.001 0.000 0.313 255 F C -0.871 174.967 175.800 0.063 0.000 1.141 255 F CA -1.458 56.596 58.000 0.090 0.000 0.941 255 F CB 2.214 41.242 39.000 0.046 0.000 1.349 255 F HN 0.611 nan 8.300 nan 0.000 0.464 256 M N 3.381 123.146 119.600 0.275 0.000 2.465 256 M HA 0.756 5.236 4.480 0.001 0.000 0.316 256 M C -1.615 174.700 176.300 0.025 0.000 1.121 256 M CA -0.934 54.299 55.300 -0.111 0.000 0.934 256 M CB 2.268 34.559 32.600 -0.516 0.000 1.692 256 M HN 0.798 nan 8.290 nan 0.000 0.444 257 V N 1.035 120.937 119.914 -0.020 0.000 3.040 257 V HA 1.115 5.235 4.120 0.001 0.000 0.312 257 V C -0.250 175.766 176.094 -0.130 0.000 1.115 257 V CA 0.351 62.595 62.300 -0.093 0.000 0.998 257 V CB 1.230 32.941 31.823 -0.187 0.000 1.042 257 V HN 1.103 nan 8.190 nan 0.000 0.433 258 G N 1.257 109.981 108.800 -0.127 0.000 2.295 258 G HA2 -0.016 3.945 3.960 0.001 0.000 0.155 258 G HA3 -0.016 3.945 3.960 0.001 0.000 0.155 258 G C -0.548 174.311 174.900 -0.067 0.000 1.307 258 G CA -0.214 44.827 45.100 -0.099 0.000 1.140 258 G HN 1.114 nan 8.290 nan 0.000 0.470 259 N N 2.144 120.820 118.700 -0.039 0.000 2.294 259 N HA 0.075 4.815 4.740 0.001 0.000 0.263 259 N C -1.138 174.359 175.510 -0.022 0.000 1.281 259 N CA 0.036 53.073 53.050 -0.021 0.000 0.846 259 N CB 1.555 40.041 38.487 -0.001 0.000 1.061 259 N HN 0.047 nan 8.380 nan 0.000 0.478 260 P HA -0.083 nan 4.420 nan 0.000 0.218 260 P C 0.567 177.864 177.300 -0.006 0.000 1.149 260 P CA 1.334 64.425 63.100 -0.015 0.000 0.817 260 P CB 0.277 31.970 31.700 -0.012 0.000 0.785 261 E N -0.659 119.542 120.200 0.001 0.000 2.152 261 E HA -0.047 4.303 4.350 0.001 0.000 0.192 261 E C 1.969 178.578 176.600 0.016 0.000 0.983 261 E CA 0.636 57.042 56.400 0.009 0.000 0.818 261 E CB -0.465 29.243 29.700 0.013 0.000 0.758 261 E HN 0.257 nan 8.360 nan 0.000 0.467 262 L N 0.427 121.660 121.223 0.016 0.000 2.156 262 L HA -0.124 4.216 4.340 0.001 0.000 0.208 262 L C 2.359 179.241 176.870 0.021 0.000 1.095 262 L CA 0.463 55.319 54.840 0.027 0.000 0.770 262 L CB -0.190 41.887 42.059 0.029 0.000 0.914 262 L HN 0.027 nan 8.230 nan 0.000 0.439 263 V N -0.974 118.940 119.914 0.001 0.000 2.307 263 V HA -0.238 3.882 4.120 0.001 0.000 0.245 263 V C 2.532 178.629 176.094 0.004 0.000 1.045 263 V CA 1.971 64.269 62.300 -0.003 0.000 1.024 263 V CB -0.344 31.468 31.823 -0.019 0.000 0.651 263 V HN 0.373 nan 8.190 nan 0.000 0.449 264 S N 0.353 116.054 115.700 0.001 0.000 2.382 264 S HA -0.172 4.298 4.470 0.001 0.000 0.228 264 S C 2.233 176.832 174.600 -0.003 0.000 1.027 264 S CA 1.335 59.533 58.200 -0.004 0.000 0.991 264 S CB -0.528 62.671 63.200 -0.002 0.000 0.823 264 S HN 0.645 nan 8.310 nan 0.000 0.469 265 A N 1.858 124.686 122.820 0.014 0.000 1.859 265 A HA -0.127 4.194 4.320 0.001 0.000 0.217 265 A C 2.129 179.725 177.584 0.020 0.000 1.198 265 A CA 1.706 53.759 52.037 0.026 0.000 0.629 265 A CB -0.979 18.050 19.000 0.048 0.000 0.830 265 A HN 0.417 nan 8.150 nan 0.000 0.446 266 L N -0.284 120.964 121.223 0.042 0.000 2.079 266 L HA -0.119 4.221 4.340 0.001 0.000 0.210 266 L C 2.679 179.552 176.870 0.004 0.000 1.081 266 L CA 2.227 57.103 54.840 0.060 0.000 0.752 266 L CB -0.875 41.247 42.059 0.104 0.000 0.896 266 L HN 0.391 nan 8.230 nan 0.000 0.433 267 A N -0.774 122.037 122.820 -0.016 0.000 1.902 267 A HA -0.211 4.110 4.320 0.001 0.000 0.217 267 A C 2.472 179.977 177.584 -0.132 0.000 1.181 267 A CA 1.674 53.683 52.037 -0.048 0.000 0.623 267 A CB -0.499 18.480 19.000 -0.035 0.000 0.818 267 A HN 0.463 nan 8.150 nan 0.000 0.443 268 R N -0.554 119.853 120.500 -0.156 0.000 2.070 268 R HA -0.100 4.240 4.340 0.001 0.000 0.233 268 R C 2.049 178.031 176.300 -0.531 0.000 1.137 268 R CA 1.616 57.524 56.100 -0.320 0.000 0.945 268 R CB -0.414 29.778 30.300 -0.179 0.000 0.845 268 R HN 0.464 nan 8.270 nan 0.000 0.430 269 I N 1.245 121.669 120.570 -0.243 0.000 2.118 269 I HA -0.320 3.850 4.170 0.001 0.000 0.241 269 I C 2.253 178.216 176.117 -0.257 0.000 1.070 269 I CA 1.612 62.820 61.300 -0.152 0.000 1.327 269 I CB -0.958 36.999 38.000 -0.071 0.000 1.034 269 I HN 0.213 nan 8.210 nan 0.000 0.405 270 K N 0.854 121.105 120.400 -0.248 0.000 2.209 270 K HA -0.147 4.174 4.320 0.001 0.000 0.204 270 K C 2.242 178.779 176.600 -0.105 0.000 1.048 270 K CA 1.507 57.689 56.287 -0.176 0.000 0.940 270 K CB 0.071 32.544 32.500 -0.045 0.000 0.729 270 K HN 0.432 nan 8.250 nan 0.000 0.451 271 S N -0.557 115.004 115.700 -0.231 0.000 2.428 271 S HA -0.127 4.343 4.470 0.001 0.000 0.230 271 S C 1.639 176.145 174.600 -0.157 0.000 1.014 271 S CA 0.572 58.642 58.200 -0.216 0.000 0.957 271 S CB -0.359 62.662 63.200 -0.298 0.000 0.784 271 S HN 0.272 nan 8.310 nan 0.000 0.499 272 Y N 1.046 121.316 120.300 -0.049 0.000 2.337 272 Y HA 0.150 4.701 4.550 0.001 0.000 0.293 272 Y C 2.699 178.563 175.900 -0.060 0.000 1.123 272 Y CA 0.458 58.522 58.100 -0.059 0.000 1.201 272 Y CB -1.032 37.405 38.460 -0.038 0.000 1.011 272 Y HN 0.520 nan 8.280 nan 0.000 0.545 273 H N -0.070 118.997 119.070 -0.005 0.000 2.294 273 H HA -0.009 4.548 4.556 0.001 0.000 0.306 273 H C -0.271 175.019 175.328 -0.063 0.000 1.065 273 H CA 1.399 57.426 56.048 -0.035 0.000 1.343 273 H CB 0.275 29.983 29.762 -0.089 0.000 1.396 273 H HN 0.355 nan 8.280 nan 0.000 0.506 274 D N -2.096 118.228 120.400 -0.127 0.000 2.547 274 D HA 0.002 4.642 4.640 0.001 0.000 0.231 274 D C 0.116 176.361 176.300 -0.092 0.000 1.099 274 D CA -0.796 53.103 54.000 -0.169 0.000 0.901 274 D CB 0.104 40.871 40.800 -0.056 0.000 1.478 274 D HN 0.075 nan 8.370 nan 0.000 0.471 275 Y N 0.612 120.913 120.300 0.001 0.000 2.421 275 Y HA 0.295 4.845 4.550 0.001 0.000 0.292 275 Y C 1.607 177.525 175.900 0.030 0.000 1.136 275 Y CA 1.611 59.720 58.100 0.016 0.000 1.255 275 Y CB 0.130 38.599 38.460 0.014 0.000 0.991 275 Y HN 0.766 nan 8.280 nan 0.000 0.552 276 G N -1.533 107.379 108.800 0.186 0.000 2.368 276 G HA2 0.139 4.099 3.960 0.001 0.000 0.303 276 G HA3 0.139 4.099 3.960 0.001 0.000 0.303 276 G C -1.086 173.906 174.900 0.153 0.000 1.590 276 G CA -1.114 44.072 45.100 0.143 0.000 0.938 276 G HN -0.212 nan 8.290 nan 0.000 0.675 277 T N 1.747 116.385 114.554 0.140 0.000 2.928 277 T HA 0.283 4.633 4.350 0.001 0.000 0.305 277 T C 0.378 175.186 174.700 0.180 0.000 1.035 277 T CA 0.219 62.415 62.100 0.160 0.000 1.145 277 T CB 0.437 69.387 68.868 0.136 0.000 0.963 277 T HN 0.629 nan 8.240 nan 0.000 0.545 278 F N 3.688 123.659 119.950 0.036 0.000 2.539 278 F HA -0.010 4.517 4.527 0.001 0.000 0.393 278 F C 1.680 177.486 175.800 0.011 0.000 1.032 278 F CA 0.001 58.008 58.000 0.011 0.000 1.120 278 F CB -0.415 38.575 39.000 -0.016 0.000 1.014 278 F HN 0.656 nan 8.300 nan 0.000 0.546 279 T N 6.958 121.324 114.554 -0.312 0.000 2.720 279 T HA -0.123 4.228 4.350 0.001 0.000 0.268 279 T C -0.683 173.783 174.700 -0.390 0.000 1.037 279 T CA 1.972 63.907 62.100 -0.276 0.000 1.144 279 T CB -0.789 67.959 68.868 -0.200 0.000 0.864 279 T HN 0.445 nan 8.240 nan 0.000 0.444 280 P HA -0.014 nan 4.420 nan 0.000 0.216 280 P C 1.565 178.701 177.300 -0.274 0.000 1.153 280 P CA 0.861 63.635 63.100 -0.543 0.000 0.858 280 P CB -0.181 31.027 31.700 -0.820 0.000 0.789 281 L N -1.040 120.046 121.223 -0.229 0.000 2.083 281 L HA -0.219 4.122 4.340 0.001 0.000 0.209 281 L C 2.633 179.528 176.870 0.042 0.000 1.083 281 L CA 1.546 56.413 54.840 0.045 0.000 0.752 281 L CB -0.738 41.416 42.059 0.159 0.000 0.899 281 L HN 0.067 nan 8.230 nan 0.000 0.433 282 Q N -0.750 119.037 119.800 -0.022 0.000 2.020 282 Q HA -0.182 4.158 4.340 0.001 0.000 0.202 282 Q C 2.310 178.296 176.000 -0.023 0.000 0.982 282 Q CA 1.578 57.378 55.803 -0.006 0.000 0.838 282 Q CB -0.193 28.536 28.738 -0.015 0.000 0.899 282 Q HN 0.360 nan 8.270 nan 0.000 0.423 283 V N 1.080 120.961 119.914 -0.055 0.000 2.490 283 V HA -0.251 3.870 4.120 0.001 0.000 0.250 283 V C 2.257 178.337 176.094 -0.024 0.000 1.061 283 V CA 1.670 63.943 62.300 -0.045 0.000 1.064 283 V CB -0.940 30.844 31.823 -0.065 0.000 0.670 283 V HN 0.364 nan 8.190 nan 0.000 0.461 284 A N 0.091 122.912 122.820 0.001 0.000 1.972 284 A HA -0.075 4.246 4.320 0.001 0.000 0.219 284 A C 2.411 179.973 177.584 -0.037 0.000 1.169 284 A CA 1.857 53.914 52.037 0.034 0.000 0.635 284 A CB -0.621 18.503 19.000 0.207 0.000 0.810 284 A HN 0.563 nan 8.150 nan 0.000 0.446 285 A N -0.154 122.653 122.820 -0.022 0.000 1.969 285 A HA -0.030 4.290 4.320 0.001 0.000 0.218 285 A C 2.055 179.587 177.584 -0.086 0.000 1.169 285 A CA 1.377 53.372 52.037 -0.069 0.000 0.635 285 A CB -0.540 18.460 19.000 -0.000 0.000 0.810 285 A HN 0.502 nan 8.150 nan 0.000 0.445 286 I N -0.368 120.172 120.570 -0.049 0.000 2.252 286 I HA -0.253 3.917 4.170 0.001 0.000 0.245 286 I C 2.952 179.056 176.117 -0.021 0.000 1.102 286 I CA 0.952 62.231 61.300 -0.035 0.000 1.385 286 I CB -0.288 37.697 38.000 -0.025 0.000 1.064 286 I HN 0.354 nan 8.210 nan 0.000 0.414 287 A N 0.829 123.634 122.820 -0.024 0.000 1.877 287 A HA -0.181 4.140 4.320 0.001 0.000 0.216 287 A C 2.574 180.176 177.584 0.030 0.000 1.186 287 A CA 1.873 53.931 52.037 0.034 0.000 0.620 287 A CB -0.951 18.063 19.000 0.024 0.000 0.822 287 A HN 0.413 nan 8.150 nan 0.000 0.443 288 A N -0.411 122.302 122.820 -0.178 0.000 1.873 288 A HA -0.131 4.189 4.320 0.001 0.000 0.218 288 A C 2.216 179.698 177.584 -0.171 0.000 1.193 288 A CA 1.825 53.593 52.037 -0.449 0.000 0.629 288 A CB -0.630 17.749 19.000 -1.036 0.000 0.826 288 A HN 0.482 nan 8.150 nan 0.000 0.447 289 L N -0.978 120.195 121.223 -0.082 0.000 2.127 289 L HA 0.035 4.375 4.340 0.001 0.000 0.203 289 L C 0.762 177.743 176.870 0.186 0.000 1.080 289 L CA 0.238 55.142 54.840 0.106 0.000 0.768 289 L CB -0.245 41.814 42.059 0.001 0.000 0.924 289 L HN 0.380 nan 8.230 nan 0.000 0.444 290 E N -0.063 120.204 120.200 0.110 0.000 2.331 290 E HA 0.390 4.740 4.350 0.001 0.000 0.272 290 E C 0.494 177.164 176.600 0.117 0.000 1.036 290 E CA 0.349 56.817 56.400 0.113 0.000 0.864 290 E CB 1.004 30.745 29.700 0.068 0.000 1.035 290 E HN 0.236 nan 8.360 nan 0.000 0.408 291 G N 3.376 112.238 108.800 0.103 0.000 2.512 291 G HA2 -0.274 3.686 3.960 0.001 0.000 0.240 291 G HA3 -0.274 3.686 3.960 0.001 0.000 0.240 291 G C -0.438 174.500 174.900 0.063 0.000 1.246 291 G CA -0.250 44.892 45.100 0.069 0.000 0.919 291 G HN 0.668 nan 8.290 nan 0.000 0.577 292 D N 1.199 121.610 120.400 0.018 0.000 2.479 292 D HA 0.198 4.838 4.640 0.001 0.000 0.257 292 D C 1.314 177.636 176.300 0.036 0.000 1.230 292 D CA 0.311 54.305 54.000 -0.010 0.000 0.912 292 D CB 0.570 41.318 40.800 -0.086 0.000 1.130 292 D HN 0.339 nan 8.370 nan 0.000 0.515 293 Q N 2.781 122.617 119.800 0.060 0.000 2.222 293 Q HA -0.043 4.298 4.340 0.001 0.000 0.206 293 Q C 1.162 177.193 176.000 0.052 0.000 0.877 293 Q CA -0.032 55.832 55.803 0.100 0.000 0.958 293 Q CB 0.666 29.454 28.738 0.083 0.000 1.075 293 Q HN 0.566 nan 8.270 nan 0.000 0.483 294 Q N 0.615 120.427 119.800 0.020 0.000 2.135 294 Q HA -0.159 4.181 4.340 0.001 0.000 0.204 294 Q C 2.041 178.055 176.000 0.023 0.000 0.981 294 Q CA 2.135 57.942 55.803 0.007 0.000 0.856 294 Q CB -0.435 28.294 28.738 -0.015 0.000 0.902 294 Q HN 0.555 nan 8.270 nan 0.000 0.425 295 C N -2.567 116.770 119.300 0.061 0.000 2.446 295 C HA 0.117 4.577 4.460 0.001 0.000 0.279 295 C C 2.291 177.302 174.990 0.035 0.000 1.366 295 C CA 0.284 59.355 59.018 0.089 0.000 1.763 295 C CB -1.097 26.784 27.740 0.235 0.000 1.929 295 C HN 0.311 nan 8.230 nan 0.000 0.509 296 V N 1.074 120.987 119.914 -0.001 0.000 2.488 296 V HA -0.085 4.036 4.120 0.001 0.000 0.246 296 V C 3.115 179.181 176.094 -0.047 0.000 1.046 296 V CA 1.863 64.096 62.300 -0.113 0.000 1.053 296 V CB -0.953 30.734 31.823 -0.226 0.000 0.679 296 V HN 0.545 nan 8.190 nan 0.000 0.458 297 R N 0.416 120.907 120.500 -0.015 0.000 2.083 297 R HA -0.209 4.131 4.340 0.001 0.000 0.237 297 R C 1.995 178.300 176.300 0.008 0.000 1.137 297 R CA 2.197 58.300 56.100 0.004 0.000 0.951 297 R CB -0.380 29.923 30.300 0.006 0.000 0.851 297 R HN 0.478 nan 8.270 nan 0.000 0.434 298 D N 0.280 120.678 120.400 -0.003 0.000 2.144 298 D HA -0.117 4.523 4.640 0.001 0.000 0.200 298 D C 1.969 178.243 176.300 -0.043 0.000 0.978 298 D CA 1.077 55.067 54.000 -0.016 0.000 0.833 298 D CB -0.136 40.655 40.800 -0.015 0.000 0.961 298 D HN 0.309 nan 8.370 nan 0.000 0.470 299 I N 1.249 121.785 120.570 -0.056 0.000 2.163 299 I HA -0.255 3.915 4.170 0.001 0.000 0.240 299 I C 2.540 178.625 176.117 -0.053 0.000 1.081 299 I CA 1.054 62.282 61.300 -0.119 0.000 1.353 299 I CB -0.318 37.620 38.000 -0.103 0.000 1.054 299 I HN -0.089 nan 8.210 nan 0.000 0.407 300 A N 0.831 123.693 122.820 0.070 0.000 1.881 300 A HA -0.332 3.988 4.320 0.001 0.000 0.219 300 A C 2.456 180.182 177.584 0.236 0.000 1.215 300 A CA 2.445 54.606 52.037 0.207 0.000 0.648 300 A CB -0.895 18.183 19.000 0.129 0.000 0.832 300 A HN 0.394 nan 8.150 nan 0.000 0.455 301 R N -0.473 120.094 120.500 0.111 0.000 2.148 301 R HA -0.181 4.159 4.340 0.001 0.000 0.227 301 R C 2.448 178.757 176.300 0.016 0.000 1.103 301 R CA 1.622 57.769 56.100 0.078 0.000 0.983 301 R CB -0.264 30.059 30.300 0.039 0.000 0.874 301 R HN 0.827 nan 8.270 nan 0.000 0.451 302 Q N -0.583 119.195 119.800 -0.037 0.000 2.050 302 Q HA -0.215 4.125 4.340 0.001 0.000 0.202 302 Q C 1.348 177.299 176.000 -0.082 0.000 0.980 302 Q CA 1.629 57.368 55.803 -0.107 0.000 0.840 302 Q CB -0.243 28.366 28.738 -0.215 0.000 0.898 302 Q HN 0.365 nan 8.270 nan 0.000 0.424 303 Y N 1.089 121.399 120.300 0.017 0.000 2.274 303 Y HA -0.211 4.339 4.550 0.001 0.000 0.290 303 Y C 2.411 178.203 175.900 -0.179 0.000 1.145 303 Y CA 1.544 59.650 58.100 0.010 0.000 1.203 303 Y CB -0.496 38.062 38.460 0.163 0.000 0.984 303 Y HN 0.354 nan 8.280 nan 0.000 0.533 304 Q N -0.036 119.695 119.800 -0.114 0.000 2.050 304 Q HA -0.242 4.098 4.340 0.001 0.000 0.202 304 Q C 2.081 177.911 176.000 -0.284 0.000 0.980 304 Q CA 1.818 57.301 55.803 -0.532 0.000 0.840 304 Q CB -0.048 28.518 28.738 -0.286 0.000 0.898 304 Q HN 0.552 nan 8.270 nan 0.000 0.424 305 Q N -0.333 119.384 119.800 -0.138 0.000 2.124 305 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 305 Q C 2.147 178.092 176.000 -0.091 0.000 0.977 305 Q CA 1.238 56.982 55.803 -0.099 0.000 0.850 305 Q CB -0.013 28.686 28.738 -0.066 0.000 0.901 305 Q HN 0.296 nan 8.270 nan 0.000 0.429 306 R N 0.376 120.834 120.500 -0.070 0.000 2.073 306 R HA -0.105 4.235 4.340 0.001 0.000 0.234 306 R C 2.387 178.637 176.300 -0.083 0.000 1.134 306 R CA 1.155 57.227 56.100 -0.046 0.000 0.952 306 R CB -0.322 29.991 30.300 0.020 0.000 0.850 306 R HN 0.167 nan 8.270 nan 0.000 0.433 307 R N 1.167 121.589 120.500 -0.130 0.000 2.112 307 R HA -0.214 4.126 4.340 0.001 0.000 0.242 307 R C 1.294 177.498 176.300 -0.161 0.000 1.137 307 R CA 2.352 58.345 56.100 -0.179 0.000 0.944 307 R CB -0.319 29.784 30.300 -0.329 0.000 0.857 307 R HN 0.161 nan 8.270 nan 0.000 0.435 308 D N -0.229 120.076 120.400 -0.158 0.000 2.123 308 D HA -0.133 4.508 4.640 0.001 0.000 0.196 308 D C 1.954 178.195 176.300 -0.098 0.000 0.992 308 D CA 1.255 55.185 54.000 -0.116 0.000 0.833 308 D CB -0.179 40.561 40.800 -0.099 0.000 0.954 308 D HN 0.125 nan 8.370 nan 0.000 0.455 309 V N 0.677 120.536 119.914 -0.093 0.000 2.358 309 V HA -0.182 3.939 4.120 0.001 0.000 0.246 309 V C 2.346 178.376 176.094 -0.107 0.000 1.047 309 V CA 1.036 63.287 62.300 -0.082 0.000 1.035 309 V CB -0.385 31.399 31.823 -0.065 0.000 0.658 309 V HN 0.144 nan 8.190 nan 0.000 0.452 310 L N -0.140 121.000 121.223 -0.138 0.000 2.044 310 L HA -0.045 4.295 4.340 0.001 0.000 0.205 310 L C 2.366 179.086 176.870 -0.249 0.000 1.075 310 L CA 1.765 56.479 54.840 -0.210 0.000 0.747 310 L CB -0.563 41.344 42.059 -0.253 0.000 0.903 310 L HN 0.100 nan 8.230 nan 0.000 0.435 311 V N -0.051 119.737 119.914 -0.209 0.000 2.332 311 V HA -0.320 3.800 4.120 0.001 0.000 0.248 311 V C 2.627 178.643 176.094 -0.130 0.000 1.055 311 V CA 2.099 64.287 62.300 -0.187 0.000 1.038 311 V CB -0.640 31.105 31.823 -0.130 0.000 0.651 311 V HN 0.465 nan 8.190 nan 0.000 0.450 312 K N -0.151 120.190 120.400 -0.098 0.000 2.062 312 K HA -0.050 4.270 4.320 0.001 0.000 0.205 312 K C 2.288 178.859 176.600 -0.049 0.000 1.051 312 K CA 1.287 57.539 56.287 -0.058 0.000 0.941 312 K CB -0.645 31.827 32.500 -0.047 0.000 0.719 312 K HN 0.539 nan 8.250 nan 0.000 0.440 313 G N 1.683 110.440 108.800 -0.072 0.000 2.446 313 G HA2 -0.238 3.722 3.960 0.001 0.000 0.217 313 G HA3 -0.238 3.722 3.960 0.001 0.000 0.217 313 G C 1.506 176.380 174.900 -0.044 0.000 1.168 313 G CA 0.649 45.714 45.100 -0.058 0.000 0.771 313 G HN 0.088 nan 8.290 nan 0.000 0.551 314 L N -0.510 120.649 121.223 -0.106 0.000 2.083 314 L HA -0.027 4.314 4.340 0.001 0.000 0.209 314 L C 3.171 180.105 176.870 0.107 0.000 1.083 314 L CA 0.997 55.798 54.840 -0.064 0.000 0.752 314 L CB -0.325 41.517 42.059 -0.362 0.000 0.899 314 L HN 0.152 nan 8.230 nan 0.000 0.433 315 R N -0.062 120.467 120.500 0.047 0.000 2.062 315 R HA -0.182 4.158 4.340 0.001 0.000 0.229 315 R C 2.242 178.609 176.300 0.113 0.000 1.128 315 R CA 1.364 57.524 56.100 0.099 0.000 0.960 315 R CB -0.282 30.047 30.300 0.049 0.000 0.855 315 R HN 0.354 nan 8.270 nan 0.000 0.432 316 E N 0.761 121.004 120.200 0.073 0.000 2.187 316 E HA -0.225 4.126 4.350 0.001 0.000 0.199 316 E C 1.203 177.873 176.600 0.117 0.000 1.004 316 E CA 1.485 57.929 56.400 0.073 0.000 0.813 316 E CB -0.032 29.693 29.700 0.041 0.000 0.736 316 E HN 0.387 nan 8.360 nan 0.000 0.468 317 A N -0.077 122.844 122.820 0.168 0.000 2.278 317 A HA 0.304 4.624 4.320 0.001 0.000 0.212 317 A C 1.569 179.396 177.584 0.405 0.000 1.213 317 A CA 0.781 52.977 52.037 0.266 0.000 0.840 317 A CB -0.316 18.818 19.000 0.223 0.000 0.866 317 A HN 0.495 nan 8.150 nan 0.000 0.489 318 G N -2.297 106.679 108.800 0.293 0.000 2.147 318 G HA2 -0.256 3.705 3.960 0.001 0.000 0.244 318 G HA3 -0.256 3.705 3.960 0.001 0.000 0.244 318 G C -0.202 174.884 174.900 0.311 0.000 1.005 318 G CA 0.280 45.520 45.100 0.234 0.000 0.713 318 G HN 0.754 nan 8.290 nan 0.000 0.515 319 W N 2.062 123.513 121.300 0.251 0.000 2.295 319 W HA 0.710 5.370 4.660 0.000 0.000 0.333 319 W C 0.010 176.595 176.519 0.109 0.000 0.990 319 W CA -1.892 55.590 57.345 0.228 0.000 1.453 319 W CB 0.079 29.751 29.460 0.353 0.000 1.263 319 W HN 0.071 nan 8.180 nan 0.000 0.380 320 M N 8.057 127.935 119.600 0.463 0.000 3.213 320 M HA 0.050 4.531 4.480 0.001 0.000 0.275 320 M C 0.280 176.737 176.300 0.262 0.000 1.424 320 M CA -0.422 55.036 55.300 0.264 0.000 1.561 320 M CB -1.260 31.435 32.600 0.158 0.000 1.109 320 M HN 0.167 nan 8.290 nan 0.000 0.552 321 V N 0.426 120.434 119.914 0.156 0.000 2.881 321 V HA 0.302 4.422 4.120 0.001 0.000 0.303 321 V C 0.491 176.621 176.094 0.061 0.000 1.070 321 V CA -0.841 61.489 62.300 0.049 0.000 1.074 321 V CB 0.420 32.105 31.823 -0.231 0.000 1.012 321 V HN 0.664 nan 8.190 nan 0.000 0.482 322 E N 2.169 122.430 120.200 0.101 0.000 2.404 322 E HA 0.169 4.519 4.350 0.001 0.000 0.261 322 E C -0.373 176.263 176.600 0.060 0.000 1.074 322 E CA -0.118 56.343 56.400 0.103 0.000 0.917 322 E CB 0.337 30.132 29.700 0.158 0.000 0.965 322 E HN 0.800 nan 8.360 nan 0.000 0.433 323 N N 2.647 121.380 118.700 0.056 0.000 2.422 323 N HA 0.208 4.948 4.740 0.001 0.000 0.266 323 N C -2.466 173.082 175.510 0.063 0.000 1.007 323 N CA -1.863 51.208 53.050 0.035 0.000 0.941 323 N CB 0.737 39.243 38.487 0.031 0.000 1.115 323 N HN 0.187 nan 8.380 nan 0.000 0.492 324 P HA 0.198 nan 4.420 nan 0.000 0.274 324 P C -0.433 176.944 177.300 0.129 0.000 1.231 324 P CA -0.209 62.932 63.100 0.068 0.000 0.790 324 P CB 1.126 32.868 31.700 0.069 0.000 0.951 325 K N -0.109 120.302 120.400 0.018 0.000 2.358 325 K HA 0.503 4.823 4.320 0.001 0.000 0.200 325 K C 0.384 176.821 176.600 -0.272 0.000 1.030 325 K CA -0.043 56.244 56.287 0.000 0.000 1.097 325 K CB 0.735 33.128 32.500 -0.177 0.000 0.862 325 K HN 0.667 nan 8.250 nan 0.000 0.534 326 A N 0.310 122.916 122.820 -0.356 0.000 2.567 326 A HA 0.525 4.845 4.320 0.001 0.000 0.291 326 A C -0.590 176.736 177.584 -0.430 0.000 1.048 326 A CA 0.082 51.744 52.037 -0.625 0.000 0.661 326 A CB 0.509 19.174 19.000 -0.558 0.000 1.288 326 A HN 0.381 nan 8.150 nan 0.000 0.424 327 S N -1.007 114.426 115.700 -0.446 0.000 3.922 327 S HA -0.112 4.358 4.470 0.001 0.000 0.641 327 S C 0.207 174.499 174.600 -0.515 0.000 1.746 327 S CA 1.165 59.061 58.200 -0.507 0.000 1.907 327 S CB -1.425 61.373 63.200 -0.670 0.000 0.326 327 S HN 1.830 nan 8.310 nan 0.000 1.786 328 M N 0.557 119.605 119.600 -0.921 0.000 2.404 328 M HA 0.383 4.864 4.480 0.001 0.000 0.271 328 M C -0.729 175.095 176.300 -0.794 0.000 1.128 328 M CA 0.003 54.736 55.300 -0.945 0.000 0.982 328 M CB 0.178 32.068 32.600 -1.184 0.000 1.445 328 M HN 0.513 nan 8.290 nan 0.000 0.495 329 Y N -0.752 119.444 120.300 -0.175 0.000 2.446 329 Y HA 0.612 5.163 4.550 0.001 0.000 0.345 329 Y C -0.177 175.722 175.900 -0.002 0.000 0.984 329 Y CA -1.465 56.584 58.100 -0.085 0.000 1.058 329 Y CB 1.533 39.900 38.460 -0.154 0.000 1.220 329 Y HN -0.344 nan 8.280 nan 0.000 0.455 330 V N 2.780 122.837 119.914 0.240 0.000 2.313 330 V HA 0.067 4.187 4.120 0.001 0.000 0.278 330 V C -0.751 175.546 176.094 0.339 0.000 1.017 330 V CA -0.885 61.519 62.300 0.173 0.000 0.823 330 V CB 0.782 32.580 31.823 -0.042 0.000 1.010 330 V HN 0.811 nan 8.190 nan 0.000 0.443 331 W N 6.371 127.722 121.300 0.084 0.000 2.416 331 W HA 0.622 5.282 4.660 0.000 0.000 0.318 331 W C -0.171 176.512 176.519 0.273 0.000 1.150 331 W CA -0.744 56.665 57.345 0.108 0.000 1.392 331 W CB 1.035 30.468 29.460 -0.044 0.000 1.311 331 W HN 0.602 nan 8.180 nan 0.000 0.436 332 A N 6.588 129.471 122.820 0.106 0.000 2.267 332 A HA 0.256 4.577 4.320 0.001 0.000 0.315 332 A C -0.290 177.408 177.584 0.191 0.000 1.297 332 A CA -0.723 51.438 52.037 0.207 0.000 0.865 332 A CB 0.672 19.789 19.000 0.195 0.000 1.165 332 A HN 0.683 nan 8.150 nan 0.000 0.513 333 K N 3.079 123.481 120.400 0.002 0.000 2.472 333 K HA 0.135 4.455 4.320 0.001 0.000 0.280 333 K C -0.282 176.249 176.600 -0.115 0.000 1.028 333 K CA 0.109 56.099 56.287 -0.495 0.000 1.045 333 K CB 0.033 32.345 32.500 -0.313 0.000 0.902 333 K HN 0.681 nan 8.250 nan 0.000 0.478 334 I N 7.988 128.379 120.570 -0.299 0.000 2.742 334 I HA -0.049 4.122 4.170 0.001 0.000 0.287 334 I C -1.804 174.017 176.117 -0.493 0.000 1.186 334 I CA -1.535 59.510 61.300 -0.425 0.000 1.417 334 I CB 0.250 37.935 38.000 -0.525 0.000 1.377 334 I HN 0.479 nan 8.210 nan 0.000 0.556 335 P HA -0.075 nan 4.420 nan 0.000 0.265 335 P C 0.767 177.822 177.300 -0.408 0.000 1.187 335 P CA -0.056 62.744 63.100 -0.500 0.000 0.766 335 P CB 0.563 31.902 31.700 -0.602 0.000 0.820 336 E N 4.340 124.351 120.200 -0.315 0.000 2.097 336 E HA -0.196 4.154 4.350 0.001 0.000 0.196 336 E C -0.870 175.562 176.600 -0.280 0.000 1.000 336 E CA 2.099 58.348 56.400 -0.253 0.000 0.804 336 E CB -1.624 27.964 29.700 -0.186 0.000 0.740 336 E HN 0.359 nan 8.360 nan 0.000 0.454 337 P HA -0.137 nan 4.420 nan 0.000 0.219 337 P C 0.367 177.369 177.300 -0.497 0.000 1.146 337 P CA 1.279 64.106 63.100 -0.456 0.000 0.808 337 P CB -0.267 31.029 31.700 -0.673 0.000 0.779 338 Y N -2.241 117.837 120.300 -0.371 0.000 2.524 338 Y HA 0.413 4.963 4.550 0.000 0.000 0.266 338 Y C 2.097 177.623 175.900 -0.623 0.000 1.180 338 Y CA -0.222 57.561 58.100 -0.529 0.000 1.244 338 Y CB -0.391 37.603 38.460 -0.776 0.000 1.125 338 Y HN -0.101 nan 8.280 nan 0.000 0.524 339 A N 0.133 122.757 122.820 -0.327 0.000 1.968 339 A HA -0.200 4.121 4.320 0.001 0.000 0.217 339 A C 1.778 179.253 177.584 -0.183 0.000 1.169 339 A CA 1.739 53.617 52.037 -0.264 0.000 0.638 339 A CB -0.907 17.981 19.000 -0.187 0.000 0.812 339 A HN 0.736 nan 8.150 nan 0.000 0.446 340 H N -0.694 118.317 119.070 -0.098 0.000 2.489 340 H HA 0.071 4.628 4.556 0.000 0.000 0.293 340 H C 1.431 176.745 175.328 -0.024 0.000 1.066 340 H CA 1.424 57.438 56.048 -0.057 0.000 1.305 340 H CB -0.591 29.139 29.762 -0.053 0.000 1.386 340 H HN 0.376 nan 8.280 nan 0.000 0.551 341 L N -0.004 120.905 121.223 -0.524 0.000 2.156 341 L HA 0.108 4.448 4.340 0.001 0.000 0.208 341 L C 1.335 178.167 176.870 -0.063 0.000 1.095 341 L CA 0.588 55.277 54.840 -0.251 0.000 0.770 341 L CB -0.662 41.273 42.059 -0.208 0.000 0.914 341 L HN 0.777 nan 8.230 nan 0.000 0.439 342 G N -0.531 108.227 108.800 -0.071 0.000 2.795 342 G HA2 -0.280 3.680 3.960 0.001 0.000 0.664 342 G HA3 -0.280 3.680 3.960 0.001 0.000 0.664 342 G C 0.598 175.523 174.900 0.041 0.000 1.381 342 G CA -0.074 45.018 45.100 -0.012 0.000 0.853 342 G HN 0.267 nan 8.290 nan 0.000 0.545 343 S N -0.930 114.813 115.700 0.072 0.000 2.461 343 S HA 0.110 4.581 4.470 0.001 0.000 0.228 343 S C 2.291 176.969 174.600 0.130 0.000 1.005 343 S CA 1.761 60.044 58.200 0.138 0.000 0.942 343 S CB 0.035 63.324 63.200 0.148 0.000 0.776 343 S HN 1.507 nan 8.310 nan 0.000 0.514 344 L N 1.954 123.224 121.223 0.078 0.000 2.007 344 L HA 0.191 4.531 4.340 0.001 0.000 0.205 344 L C 2.529 179.424 176.870 0.042 0.000 1.073 344 L CA 2.120 56.987 54.840 0.044 0.000 0.744 344 L CB -1.019 41.050 42.059 0.017 0.000 0.898 344 L HN 0.239 nan 8.230 nan 0.000 0.435 345 E N -1.019 119.214 120.200 0.053 0.000 2.106 345 E HA -0.243 4.108 4.350 0.001 0.000 0.192 345 E C 2.098 178.742 176.600 0.073 0.000 0.984 345 E CA 1.341 57.770 56.400 0.049 0.000 0.806 345 E CB -0.472 29.257 29.700 0.049 0.000 0.750 345 E HN 0.511 nan 8.360 nan 0.000 0.458 346 F N 0.202 120.111 119.950 -0.069 0.000 2.102 346 F HA -0.176 4.351 4.527 0.000 0.000 0.298 346 F C 2.025 177.769 175.800 -0.094 0.000 1.105 346 F CA 1.403 59.337 58.000 -0.109 0.000 1.239 346 F CB -0.180 38.747 39.000 -0.121 0.000 0.991 346 F HN 0.122 nan 8.300 nan 0.000 0.474 347 A N 0.477 123.203 122.820 -0.157 0.000 1.972 347 A HA -0.189 4.131 4.320 0.001 0.000 0.219 347 A C 2.158 179.621 177.584 -0.201 0.000 1.169 347 A CA 1.645 53.535 52.037 -0.245 0.000 0.635 347 A CB -0.620 18.334 19.000 -0.077 0.000 0.810 347 A HN 0.461 nan 8.150 nan 0.000 0.446 348 K N -0.287 120.044 120.400 -0.114 0.000 2.097 348 K HA -0.155 4.166 4.320 0.001 0.000 0.206 348 K C 2.137 178.668 176.600 -0.115 0.000 1.049 348 K CA 1.495 57.732 56.287 -0.084 0.000 0.933 348 K CB -0.153 32.326 32.500 -0.035 0.000 0.717 348 K HN 0.478 nan 8.250 nan 0.000 0.442 349 K N 1.353 121.658 120.400 -0.158 0.000 2.057 349 K HA -0.088 4.232 4.320 0.001 0.000 0.206 349 K C 2.188 178.644 176.600 -0.239 0.000 1.050 349 K CA 0.857 57.044 56.287 -0.166 0.000 0.935 349 K CB -0.049 32.362 32.500 -0.149 0.000 0.715 349 K HN 0.034 nan 8.250 nan 0.000 0.439 350 L N 0.924 121.907 121.223 -0.399 0.000 2.013 350 L HA -0.255 4.085 4.340 0.001 0.000 0.212 350 L C 2.516 179.281 176.870 -0.175 0.000 1.073 350 L CA 0.893 55.539 54.840 -0.323 0.000 0.753 350 L CB -0.529 41.289 42.059 -0.401 0.000 0.890 350 L HN 0.264 nan 8.230 nan 0.000 0.432 351 L N -0.409 120.722 121.223 -0.154 0.000 1.970 351 L HA -0.295 4.045 4.340 0.001 0.000 0.212 351 L C 2.614 179.443 176.870 -0.068 0.000 1.071 351 L CA 1.915 56.700 54.840 -0.093 0.000 0.751 351 L CB -0.687 41.327 42.059 -0.076 0.000 0.889 351 L HN 0.278 nan 8.230 nan 0.000 0.432 352 Q N -1.183 118.577 119.800 -0.066 0.000 2.050 352 Q HA -0.219 4.121 4.340 0.001 0.000 0.202 352 Q C 1.531 177.510 176.000 -0.035 0.000 0.980 352 Q CA 2.189 57.968 55.803 -0.040 0.000 0.840 352 Q CB 0.014 28.734 28.738 -0.030 0.000 0.898 352 Q HN 0.622 nan 8.270 nan 0.000 0.424 353 D N -1.314 119.058 120.400 -0.048 0.000 2.324 353 D HA 0.075 4.715 4.640 0.001 0.000 0.212 353 D C 1.080 177.360 176.300 -0.034 0.000 0.984 353 D CA 1.004 54.986 54.000 -0.029 0.000 0.885 353 D CB 0.231 41.022 40.800 -0.016 0.000 0.996 353 D HN 0.280 nan 8.370 nan 0.000 0.505 354 A N 0.249 123.033 122.820 -0.059 0.000 2.197 354 A HA 0.087 4.407 4.320 0.001 0.000 0.210 354 A C 0.406 177.967 177.584 -0.039 0.000 1.180 354 A CA 0.167 52.171 52.037 -0.054 0.000 0.846 354 A CB 0.229 19.184 19.000 -0.074 0.000 0.884 354 A HN -0.087 nan 8.150 nan 0.000 0.487 355 K N -1.129 119.245 120.400 -0.042 0.000 3.167 355 K HA -0.106 4.214 4.320 0.001 0.000 0.272 355 K C -0.661 175.924 176.600 -0.025 0.000 1.137 355 K CA 0.843 57.113 56.287 -0.030 0.000 0.800 355 K CB -2.946 29.543 32.500 -0.018 0.000 1.253 355 K HN 0.371 nan 8.250 nan 0.000 0.497 356 V N 0.425 120.316 119.914 -0.038 0.000 2.588 356 V HA 0.442 4.563 4.120 0.001 0.000 0.304 356 V C 0.141 176.193 176.094 -0.070 0.000 1.042 356 V CA -0.802 61.481 62.300 -0.029 0.000 0.877 356 V CB 2.133 33.962 31.823 0.009 0.000 0.996 356 V HN 0.272 nan 8.190 nan 0.000 0.425 357 S N 4.302 119.965 115.700 -0.061 0.000 2.422 357 S HA 0.688 5.158 4.470 0.001 0.000 0.308 357 S C -0.476 174.045 174.600 -0.131 0.000 1.097 357 S CA -0.471 57.681 58.200 -0.080 0.000 1.099 357 S CB 0.894 64.071 63.200 -0.039 0.000 0.976 357 S HN 0.994 nan 8.310 nan 0.000 0.471 358 V N 2.958 122.754 119.914 -0.198 0.000 3.019 358 V HA 0.786 4.906 4.120 0.001 0.000 0.317 358 V C -0.157 175.888 176.094 -0.082 0.000 1.094 358 V CA -0.806 61.324 62.300 -0.284 0.000 1.000 358 V CB 1.744 33.235 31.823 -0.554 0.000 1.060 358 V HN 0.726 nan 8.190 nan 0.000 0.443 359 S N 4.033 119.745 115.700 0.021 0.000 2.452 359 S HA 0.496 4.966 4.470 0.001 0.000 0.284 359 S C -2.545 172.243 174.600 0.313 0.000 1.171 359 S CA -0.863 57.481 58.200 0.240 0.000 1.064 359 S CB 0.805 64.248 63.200 0.405 0.000 0.967 359 S HN 0.858 nan 8.310 nan 0.000 0.484 360 P HA 0.069 nan 4.420 nan 0.000 0.266 360 P C 1.052 178.609 177.300 0.429 0.000 1.195 360 P CA 0.029 63.275 63.100 0.244 0.000 0.768 360 P CB 0.417 32.195 31.700 0.130 0.000 0.838 361 G N 2.640 111.691 108.800 0.418 0.000 2.432 361 G HA2 -0.247 3.713 3.960 0.001 0.000 0.219 361 G HA3 -0.247 3.713 3.960 0.001 0.000 0.219 361 G C 1.369 176.619 174.900 0.583 0.000 1.135 361 G CA 0.067 45.547 45.100 0.632 0.000 0.767 361 G HN 0.565 nan 8.290 nan 0.000 0.550 362 I N 1.136 121.879 120.570 0.288 0.000 2.454 362 I HA -0.060 4.110 4.170 0.001 0.000 0.254 362 I C 2.602 178.721 176.117 0.003 0.000 1.156 362 I CA 1.040 62.429 61.300 0.148 0.000 1.433 362 I CB -0.161 37.871 38.000 0.054 0.000 1.082 362 I HN 0.194 nan 8.210 nan 0.000 0.432 363 G N 0.117 108.813 108.800 -0.173 0.000 2.535 363 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 363 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 363 G C 0.954 175.459 174.900 -0.658 0.000 1.122 363 G CA 0.338 44.996 45.100 -0.738 0.000 0.769 363 G HN 0.479 nan 8.290 nan 0.000 0.549 364 F N 0.446 120.469 119.950 0.123 0.000 2.653 364 F HA 0.468 4.995 4.527 0.001 0.000 0.304 364 F C 1.284 177.151 175.800 0.113 0.000 1.092 364 F CA 0.128 58.220 58.000 0.154 0.000 1.279 364 F CB 0.673 39.786 39.000 0.187 0.000 1.044 364 F HN 0.275 nan 8.300 nan 0.000 0.564 365 G N 0.265 109.188 108.800 0.205 0.000 2.428 365 G HA2 -0.141 3.820 3.960 0.001 0.000 0.681 365 G HA3 -0.141 3.820 3.960 0.001 0.000 0.681 365 G C -0.377 174.646 174.900 0.206 0.000 1.340 365 G CA -0.770 44.443 45.100 0.188 0.000 0.915 365 G HN -0.054 nan 8.290 nan 0.000 0.645 366 D N -0.348 120.139 120.400 0.146 0.000 2.218 366 D HA -0.067 4.574 4.640 0.001 0.000 0.204 366 D C 1.808 178.149 176.300 0.069 0.000 0.976 366 D CA 1.476 55.511 54.000 0.057 0.000 0.853 366 D CB -0.034 40.729 40.800 -0.061 0.000 0.939 366 D HN 0.512 nan 8.370 nan 0.000 0.481 367 Y N 0.402 120.787 120.300 0.143 0.000 2.632 367 Y HA 0.102 4.652 4.550 0.000 0.000 0.301 367 Y C 2.334 178.385 175.900 0.253 0.000 1.172 367 Y CA 0.536 58.736 58.100 0.166 0.000 1.328 367 Y CB 0.048 38.590 38.460 0.137 0.000 1.016 367 Y HN -0.025 nan 8.280 nan 0.000 0.529 368 G N -1.381 107.674 108.800 0.425 0.000 3.088 368 G HA2 -0.124 3.837 3.960 0.001 0.000 0.217 368 G HA3 -0.124 3.837 3.960 0.001 0.000 0.217 368 G C 0.954 176.095 174.900 0.402 0.000 1.159 368 G CA 0.150 45.583 45.100 0.555 0.000 0.760 368 G HN 0.256 nan 8.290 nan 0.000 0.550 369 D N 1.598 122.151 120.400 0.255 0.000 2.392 369 D HA -0.078 4.562 4.640 0.001 0.000 0.228 369 D C 1.167 177.526 176.300 0.098 0.000 1.003 369 D CA 0.862 54.954 54.000 0.154 0.000 0.917 369 D CB 0.088 40.937 40.800 0.081 0.000 0.890 369 D HN 0.414 nan 8.370 nan 0.000 0.532 370 D N -1.605 118.864 120.400 0.114 0.000 2.463 370 D HA 0.060 4.700 4.640 0.001 0.000 0.224 370 D C -0.298 175.872 176.300 -0.217 0.000 1.174 370 D CA -0.309 53.668 54.000 -0.037 0.000 0.829 370 D CB -0.499 40.274 40.800 -0.045 0.000 0.993 370 D HN 0.202 nan 8.370 nan 0.000 0.497 371 H N -1.115 117.863 119.070 -0.154 0.000 2.946 371 H HA 0.650 5.206 4.556 0.000 0.000 0.365 371 H C -0.575 174.628 175.328 -0.208 0.000 1.197 371 H CA -1.025 54.780 56.048 -0.405 0.000 1.131 371 H CB 2.350 31.319 29.762 -1.322 0.000 1.849 371 H HN -0.035 nan 8.280 nan 0.000 0.555 372 V N -0.919 118.990 119.914 -0.009 0.000 2.914 372 V HA 0.628 4.749 4.120 0.001 0.000 0.314 372 V C -0.339 175.779 176.094 0.040 0.000 1.084 372 V CA -1.106 61.242 62.300 0.079 0.000 0.963 372 V CB 2.100 34.014 31.823 0.151 0.000 1.025 372 V HN 0.698 nan 8.190 nan 0.000 0.432 373 R N 1.994 122.573 120.500 0.132 0.000 2.346 373 R HA 0.639 4.979 4.340 0.001 0.000 0.311 373 R C -1.729 174.587 176.300 0.027 0.000 0.983 373 R CA -0.522 55.698 56.100 0.199 0.000 0.880 373 R CB 1.219 31.612 30.300 0.155 0.000 1.100 373 R HN 0.771 nan 8.270 nan 0.000 0.453 374 F N 1.836 121.852 119.950 0.110 0.000 2.469 374 F HA 0.521 5.048 4.527 0.001 0.000 0.332 374 F C 0.354 176.247 175.800 0.154 0.000 1.103 374 F CA -0.713 57.332 58.000 0.075 0.000 0.979 374 F CB 2.152 41.143 39.000 -0.015 0.000 1.137 374 F HN 0.507 nan 8.300 nan 0.000 0.463 375 A N 3.879 126.888 122.820 0.314 0.000 2.317 375 A HA 0.671 4.992 4.320 0.001 0.000 0.327 375 A C -0.516 177.160 177.584 0.153 0.000 1.178 375 A CA -0.647 51.551 52.037 0.269 0.000 0.817 375 A CB 0.613 19.765 19.000 0.253 0.000 1.189 375 A HN 0.890 nan 8.150 nan 0.000 0.489 376 L N 3.726 124.982 121.223 0.055 0.000 2.727 376 L HA 0.207 4.548 4.340 0.001 0.000 0.237 376 L C 0.691 177.675 176.870 0.189 0.000 1.370 376 L CA 0.214 55.110 54.840 0.094 0.000 1.248 376 L CB -0.733 41.368 42.059 0.070 0.000 1.556 376 L HN 0.844 nan 8.230 nan 0.000 0.420 377 I N -4.487 116.171 120.570 0.146 0.000 4.082 377 I HA 0.338 4.509 4.170 0.001 0.000 0.337 377 I C 0.507 176.679 176.117 0.092 0.000 1.352 377 I CA -0.144 61.244 61.300 0.147 0.000 1.097 377 I CB 0.314 38.385 38.000 0.118 0.000 1.048 377 I HN 0.096 nan 8.210 nan 0.000 0.393 378 E N 2.609 122.854 120.200 0.075 0.000 2.243 378 E HA 0.303 4.653 4.350 0.001 0.000 0.260 378 E C -0.584 176.033 176.600 0.028 0.000 0.985 378 E CA -0.602 55.825 56.400 0.045 0.000 0.858 378 E CB 1.487 31.211 29.700 0.040 0.000 1.210 378 E HN 0.360 nan 8.360 nan 0.000 0.411 379 N N -0.398 118.308 118.700 0.010 0.000 2.424 379 N HA 0.070 4.811 4.740 0.001 0.000 0.257 379 N C 0.617 176.122 175.510 -0.007 0.000 1.250 379 N CA -0.225 52.821 53.050 -0.005 0.000 0.946 379 N CB 0.755 39.235 38.487 -0.011 0.000 1.175 379 N HN 0.208 nan 8.380 nan 0.000 0.477 380 R N -0.418 120.072 120.500 -0.017 0.000 2.117 380 R HA -0.112 4.228 4.340 0.001 0.000 0.243 380 R C 0.944 177.233 176.300 -0.019 0.000 1.143 380 R CA 1.663 57.750 56.100 -0.022 0.000 0.968 380 R CB -0.351 29.932 30.300 -0.028 0.000 0.863 380 R HN 0.645 nan 8.270 nan 0.000 0.444 381 D N -0.256 120.135 120.400 -0.014 0.000 2.144 381 D HA -0.113 4.527 4.640 0.001 0.000 0.199 381 D C 1.885 178.179 176.300 -0.009 0.000 0.984 381 D CA 0.922 54.915 54.000 -0.012 0.000 0.834 381 D CB 0.073 40.868 40.800 -0.009 0.000 0.955 381 D HN 0.112 nan 8.370 nan 0.000 0.465 382 R N 0.366 120.863 120.500 -0.004 0.000 2.090 382 R HA 0.005 4.345 4.340 0.001 0.000 0.228 382 R C 2.601 178.903 176.300 0.003 0.000 1.110 382 R CA 0.237 56.338 56.100 0.002 0.000 0.973 382 R CB -0.807 29.499 30.300 0.009 0.000 0.869 382 R HN 0.292 nan 8.270 nan 0.000 0.440 383 L N 0.211 121.433 121.223 -0.002 0.000 2.131 383 L HA -0.132 4.208 4.340 0.001 0.000 0.210 383 L C 2.624 179.478 176.870 -0.027 0.000 1.092 383 L CA 1.371 56.205 54.840 -0.011 0.000 0.759 383 L CB -0.326 41.718 42.059 -0.025 0.000 0.903 383 L HN 0.100 nan 8.230 nan 0.000 0.435 384 R N -0.561 119.924 120.500 -0.026 0.000 2.090 384 R HA -0.162 4.179 4.340 0.001 0.000 0.228 384 R C 2.302 178.589 176.300 -0.022 0.000 1.110 384 R CA 1.056 57.139 56.100 -0.029 0.000 0.973 384 R CB -0.233 30.052 30.300 -0.024 0.000 0.869 384 R HN 0.393 nan 8.270 nan 0.000 0.440 385 Q N 0.510 120.302 119.800 -0.014 0.000 2.124 385 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 385 Q C 1.962 177.956 176.000 -0.010 0.000 0.977 385 Q CA 1.634 57.431 55.803 -0.010 0.000 0.850 385 Q CB -0.036 28.699 28.738 -0.005 0.000 0.901 385 Q HN 0.365 nan 8.270 nan 0.000 0.429 386 A N -0.046 122.772 122.820 -0.003 0.000 1.845 386 A HA -0.167 4.153 4.320 0.001 0.000 0.215 386 A C 2.210 179.787 177.584 -0.013 0.000 1.195 386 A CA 1.686 53.729 52.037 0.009 0.000 0.616 386 A CB -1.005 18.021 19.000 0.043 0.000 0.832 386 A HN 0.304 nan 8.150 nan 0.000 0.443 387 V N 0.415 120.307 119.914 -0.036 0.000 2.392 387 V HA -0.283 3.838 4.120 0.001 0.000 0.249 387 V C 2.729 178.786 176.094 -0.061 0.000 1.059 387 V CA 2.198 64.460 62.300 -0.063 0.000 1.051 387 V CB -0.860 30.919 31.823 -0.074 0.000 0.658 387 V HN 0.475 nan 8.190 nan 0.000 0.455 388 R N 0.031 120.506 120.500 -0.043 0.000 2.075 388 R HA -0.073 4.268 4.340 0.001 0.000 0.232 388 R C 2.491 178.765 176.300 -0.044 0.000 1.126 388 R CA 1.485 57.563 56.100 -0.036 0.000 0.963 388 R CB -0.987 29.300 30.300 -0.022 0.000 0.858 388 R HN 0.579 nan 8.270 nan 0.000 0.435 389 G N 1.349 110.124 108.800 -0.041 0.000 2.418 389 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 389 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 389 G C 1.560 176.411 174.900 -0.083 0.000 1.158 389 G CA 0.392 45.466 45.100 -0.044 0.000 0.771 389 G HN 0.164 nan 8.290 nan 0.000 0.545 390 I N 0.202 120.703 120.570 -0.114 0.000 2.226 390 I HA -0.139 4.031 4.170 0.001 0.000 0.245 390 I C 2.728 178.572 176.117 -0.456 0.000 1.100 390 I CA 1.345 62.497 61.300 -0.247 0.000 1.374 390 I CB -0.145 37.762 38.000 -0.155 0.000 1.057 390 I HN 0.136 nan 8.210 nan 0.000 0.413 391 K N 1.074 121.309 120.400 -0.275 0.000 2.026 391 K HA -0.197 4.124 4.320 0.001 0.000 0.208 391 K C 2.213 178.773 176.600 -0.067 0.000 1.048 391 K CA 1.559 57.737 56.287 -0.183 0.000 0.929 391 K CB -0.168 32.300 32.500 -0.053 0.000 0.713 391 K HN 0.292 nan 8.250 nan 0.000 0.439 392 A N 1.228 124.022 122.820 -0.043 0.000 1.978 392 A HA -0.228 4.092 4.320 0.001 0.000 0.220 392 A C 2.104 179.713 177.584 0.042 0.000 1.170 392 A CA 1.841 53.884 52.037 0.010 0.000 0.636 392 A CB -0.532 18.469 19.000 0.002 0.000 0.810 392 A HN 0.513 nan 8.150 nan 0.000 0.448 393 M N -1.376 118.227 119.600 0.005 0.000 2.132 393 M HA -0.062 4.419 4.480 0.001 0.000 0.263 393 M C 1.929 178.408 176.300 0.299 0.000 1.065 393 M CA 1.656 57.010 55.300 0.091 0.000 1.122 393 M CB -0.266 32.345 32.600 0.019 0.000 1.365 393 M HN 0.537 nan 8.290 nan 0.000 0.411 394 F N -0.438 119.598 119.950 0.144 0.000 2.134 394 F HA -0.246 4.281 4.527 0.001 0.000 0.299 394 F C 2.718 178.585 175.800 0.112 0.000 1.097 394 F CA 0.730 58.832 58.000 0.169 0.000 1.264 394 F CB -0.471 38.620 39.000 0.151 0.000 1.001 394 F HN 0.206 nan 8.300 nan 0.000 0.479 395 R N 0.753 121.422 120.500 0.283 0.000 2.075 395 R HA -0.140 4.200 4.340 0.001 0.000 0.232 395 R C 2.380 178.758 176.300 0.130 0.000 1.126 395 R CA 1.213 57.413 56.100 0.166 0.000 0.963 395 R CB -0.404 29.966 30.300 0.116 0.000 0.858 395 R HN 0.237 nan 8.270 nan 0.000 0.435 396 A N 0.968 123.867 122.820 0.132 0.000 1.898 396 A HA -0.100 4.221 4.320 0.001 0.000 0.216 396 A C 0.679 178.332 177.584 0.116 0.000 1.181 396 A CA 1.296 53.396 52.037 0.105 0.000 0.620 396 A CB -0.299 18.758 19.000 0.094 0.000 0.819 396 A HN 0.298 nan 8.150 nan 0.000 0.442 397 D N -1.026 119.476 120.400 0.169 0.000 2.398 397 D HA 0.420 5.060 4.640 0.001 0.000 0.264 397 D C 0.616 176.971 176.300 0.092 0.000 1.263 397 D CA 0.506 54.601 54.000 0.158 0.000 1.037 397 D CB -0.072 40.897 40.800 0.281 0.000 1.101 397 D HN 0.169 nan 8.370 nan 0.000 0.551 398 G N -0.199 108.614 108.800 0.021 0.000 2.530 398 G HA2 0.469 4.429 3.960 0.001 0.000 0.313 398 G HA3 0.469 4.429 3.960 0.001 0.000 0.313 398 G C -0.633 174.206 174.900 -0.102 0.000 0.971 398 G CA 0.209 45.286 45.100 -0.039 0.000 1.237 398 G HN 0.196 nan 8.290 nan 0.000 0.446 399 L N 0.000 121.194 121.223 -0.048 0.000 2.949 399 L HA 0.000 4.340 4.340 0.001 0.000 0.249 399 L CA 0.000 54.769 54.840 -0.118 0.000 0.813 399 L CB 0.000 41.874 42.059 -0.309 0.000 0.961 399 L HN 0.000 nan 8.230 nan 0.000 0.502