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 1lam_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKGLVLGIYS KEKEEDEPQF TSAGENFNKL VSGKLREILN ISGPPLKAGK DATA SEQUENCE TRTFYGLHED FPSVVVVGLG KKTAGIDEQE NWHEGKENIR AAVAAGCRQI DATA SEQUENCE QDLEIPSVEV DPCGDAQAAA EGAVLGLYEY DDLKQKRKVV VSAKLHGSED DATA SEQUENCE QEAWQRGVLF ASGQNLARRL METPANEMTP TKFAEIVEEN LKSASIKTDV DATA SEQUENCE FIRPKSWIEE QEMGSFLSVA KGSEEPPVFL EIHYKGSPNA SEPPLVFVGK DATA SEQUENCE GITFDSGGIS IKAAANMDLM RADMGGAATI CSAIVSAAKL DLPINIVGLA DATA SEQUENCE PLCENMPSGK ANKPGDVVRA RNGKTIQVDN TDAEGRLILA DALCYAHTFN DATA SEQUENCE PKVIINAATL TGAMDIALGS GATGVFTNSS WLWNKLFEAS IETGDRVWRM DATA SEQUENCE PLFEHYTRQV IDCQLADVNN IGKYRSAGAC TAAAFLKEFV THPKWAHLDI DATA SEQUENCE AGVMTNKDEV PYLRKGMAGR PTRTLIEFLF RFSQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.712 174.700 0.020 0.000 1.109 1 T CA 0.000 62.106 62.100 0.009 0.000 1.349 1 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 2 K N 0.869 121.283 120.400 0.024 0.000 2.397 2 K HA 0.668 4.987 4.320 -0.000 0.000 0.253 2 K C -0.307 176.411 176.600 0.197 0.000 0.932 2 K CA -0.401 55.929 56.287 0.071 0.000 0.795 2 K CB 1.710 34.193 32.500 -0.027 0.000 1.159 2 K HN 0.619 nan 8.250 nan 0.000 0.424 3 G N 2.305 111.225 108.800 0.201 0.000 2.471 3 G HA2 0.617 4.577 3.960 -0.000 0.000 0.332 3 G HA3 0.617 4.577 3.960 -0.000 0.000 0.332 3 G C -1.779 173.178 174.900 0.095 0.000 1.176 3 G CA -0.606 44.596 45.100 0.171 0.000 0.949 3 G HN 0.457 nan 8.290 nan 0.000 0.488 4 L N 0.643 121.768 121.223 -0.164 0.000 2.436 4 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 4 L C -0.951 175.664 176.870 -0.425 0.000 0.974 4 L CA -0.728 53.792 54.840 -0.533 0.000 0.826 4 L CB 2.323 43.637 42.059 -1.242 0.000 1.291 4 L HN 0.312 nan 8.230 nan 0.000 0.406 5 V N 6.295 125.984 119.914 -0.375 0.000 2.384 5 V HA 0.552 4.672 4.120 -0.000 0.000 0.287 5 V C -0.223 175.682 176.094 -0.316 0.000 1.020 5 V CA -0.397 61.742 62.300 -0.268 0.000 0.850 5 V CB 1.502 33.237 31.823 -0.148 0.000 0.987 5 V HN 0.631 nan 8.190 nan 0.000 0.436 6 L N 3.927 124.984 121.223 -0.276 0.000 2.354 6 L HA 0.844 5.184 4.340 -0.000 0.000 0.269 6 L C 0.531 177.329 176.870 -0.120 0.000 1.005 6 L CA -0.553 54.143 54.840 -0.240 0.000 0.819 6 L CB 2.267 44.144 42.059 -0.304 0.000 1.311 6 L HN 0.710 nan 8.230 nan 0.000 0.423 7 G N 1.565 110.304 108.800 -0.103 0.000 2.417 7 G HA2 0.736 4.696 3.960 -0.000 0.000 0.334 7 G HA3 0.736 4.696 3.960 -0.000 0.000 0.334 7 G C -1.458 173.384 174.900 -0.097 0.000 1.150 7 G CA -0.409 44.612 45.100 -0.132 0.000 0.923 7 G HN 0.514 nan 8.290 nan 0.000 0.485 8 I N 0.049 120.508 120.570 -0.185 0.000 2.686 8 I HA 0.540 4.709 4.170 -0.000 0.000 0.295 8 I C -1.148 174.773 176.117 -0.327 0.000 1.114 8 I CA -1.111 60.059 61.300 -0.216 0.000 1.038 8 I CB 1.936 39.831 38.000 -0.176 0.000 1.238 8 I HN 0.462 nan 8.210 nan 0.000 0.420 9 Y N 3.463 123.735 120.300 -0.047 0.000 2.392 9 Y HA 0.382 4.932 4.550 -0.000 0.000 0.323 9 Y C 0.878 176.745 175.900 -0.055 0.000 1.291 9 Y CA -0.319 57.759 58.100 -0.037 0.000 1.345 9 Y CB 1.093 39.538 38.460 -0.025 0.000 1.320 9 Y HN 0.393 nan 8.280 nan 0.000 0.518 10 S N 0.924 116.718 115.700 0.156 0.000 2.564 10 S HA 0.111 4.580 4.470 -0.000 0.000 0.278 10 S C -0.137 174.493 174.600 0.050 0.000 1.333 10 S CA -0.825 57.414 58.200 0.065 0.000 1.048 10 S CB 0.318 63.552 63.200 0.056 0.000 0.900 10 S HN 0.413 nan 8.310 nan 0.000 0.505 11 K N 2.288 122.696 120.400 0.013 0.000 2.401 11 K HA 0.047 4.367 4.320 -0.000 0.000 0.278 11 K C -0.124 176.476 176.600 -0.000 0.000 1.018 11 K CA -0.106 56.181 56.287 -0.000 0.000 0.981 11 K CB 0.375 32.866 32.500 -0.015 0.000 0.933 11 K HN 0.492 nan 8.250 nan 0.000 0.477 12 E N 3.235 123.431 120.200 -0.007 0.000 2.283 12 E HA -0.001 4.349 4.350 -0.000 0.000 0.271 12 E C 0.511 177.105 176.600 -0.010 0.000 1.031 12 E CA -0.181 56.212 56.400 -0.012 0.000 0.868 12 E CB 1.588 31.275 29.700 -0.023 0.000 1.094 12 E HN 0.594 nan 8.360 nan 0.000 0.401 13 K N 1.600 121.995 120.400 -0.009 0.000 2.077 13 K HA -0.220 4.100 4.320 -0.000 0.000 0.213 13 K C 0.895 177.491 176.600 -0.007 0.000 1.051 13 K CA 1.609 57.892 56.287 -0.007 0.000 0.929 13 K CB 0.240 32.737 32.500 -0.005 0.000 0.715 13 K HN 0.270 nan 8.250 nan 0.000 0.451 14 E N 0.819 121.014 120.200 -0.009 0.000 2.476 14 E HA 0.025 4.375 4.350 -0.000 0.000 0.191 14 E C -0.395 176.200 176.600 -0.009 0.000 1.064 14 E CA 0.366 56.761 56.400 -0.008 0.000 0.866 14 E CB 0.294 29.989 29.700 -0.008 0.000 0.952 14 E HN 0.430 nan 8.360 nan 0.000 0.492 15 E N 0.365 120.559 120.200 -0.010 0.000 2.277 15 E HA 0.059 4.409 4.350 -0.000 0.000 0.274 15 E C 0.217 176.810 176.600 -0.011 0.000 1.022 15 E CA -0.186 56.207 56.400 -0.011 0.000 0.853 15 E CB 1.138 30.831 29.700 -0.013 0.000 1.086 15 E HN -0.112 nan 8.360 nan 0.000 0.397 16 D N 1.675 122.068 120.400 -0.011 0.000 2.289 16 D HA -0.072 4.568 4.640 -0.000 0.000 0.207 16 D C -0.369 175.919 176.300 -0.019 0.000 0.966 16 D CA 0.660 54.653 54.000 -0.011 0.000 0.868 16 D CB 0.457 41.253 40.800 -0.007 0.000 0.943 16 D HN 0.491 nan 8.370 nan 0.000 0.514 17 E N -0.891 119.292 120.200 -0.027 0.000 2.390 17 E HA 0.346 4.696 4.350 -0.000 0.000 0.280 17 E C -2.841 173.719 176.600 -0.067 0.000 0.992 17 E CA -2.082 54.289 56.400 -0.049 0.000 0.790 17 E CB 1.584 31.251 29.700 -0.054 0.000 1.248 17 E HN -0.185 nan 8.360 nan 0.000 0.447 18 P HA -0.041 nan 4.420 nan 0.000 0.266 18 P C -0.763 176.438 177.300 -0.164 0.000 1.195 18 P CA -0.021 63.016 63.100 -0.105 0.000 0.768 18 P CB 0.607 32.231 31.700 -0.126 0.000 0.838 19 Q N 2.113 121.886 119.800 -0.046 0.000 2.256 19 Q HA 0.339 4.678 4.340 -0.000 0.000 0.254 19 Q C 0.046 176.078 176.000 0.053 0.000 0.916 19 Q CA -0.409 55.403 55.803 0.014 0.000 0.932 19 Q CB 0.359 29.169 28.738 0.119 0.000 1.207 19 Q HN 0.369 nan 8.270 nan 0.000 0.426 20 F N 0.756 120.762 119.950 0.093 0.000 2.403 20 F HA 0.097 4.624 4.527 -0.001 0.000 0.320 20 F C 1.665 177.522 175.800 0.096 0.000 1.176 20 F CA -0.232 57.789 58.000 0.035 0.000 1.206 20 F CB 0.253 39.265 39.000 0.019 0.000 1.235 20 F HN 0.426 nan 8.300 nan 0.000 0.565 21 T N -2.343 112.358 114.554 0.245 0.000 2.698 21 T HA 0.065 4.414 4.350 -0.000 0.000 0.295 21 T C 1.369 176.177 174.700 0.180 0.000 1.007 21 T CA -0.094 62.133 62.100 0.213 0.000 0.980 21 T CB 0.683 69.592 68.868 0.069 0.000 1.036 21 T HN 0.553 nan 8.240 nan 0.000 0.526 22 S N 0.094 115.877 115.700 0.138 0.000 2.356 22 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 22 S C 2.354 176.994 174.600 0.066 0.000 1.032 22 S CA 1.378 59.635 58.200 0.095 0.000 1.005 22 S CB -1.288 61.955 63.200 0.072 0.000 0.867 22 S HN 0.886 nan 8.310 nan 0.000 0.449 23 A N 0.736 123.591 122.820 0.059 0.000 1.902 23 A HA 0.126 4.445 4.320 -0.000 0.000 0.217 23 A C 2.353 179.929 177.584 -0.015 0.000 1.181 23 A CA 1.810 53.883 52.037 0.060 0.000 0.623 23 A CB -1.612 17.448 19.000 0.100 0.000 0.818 23 A HN 0.638 nan 8.150 nan 0.000 0.443 24 G N -0.660 108.097 108.800 -0.072 0.000 2.402 24 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 24 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 24 G C 1.491 176.175 174.900 -0.360 0.000 1.162 24 G CA 1.037 45.970 45.100 -0.280 0.000 0.777 24 G HN 0.655 nan 8.290 nan 0.000 0.539 25 E N 0.696 120.850 120.200 -0.077 0.000 2.077 25 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 25 E C 2.256 178.836 176.600 -0.033 0.000 0.989 25 E CA 1.123 57.524 56.400 0.001 0.000 0.800 25 E CB -0.260 29.509 29.700 0.114 0.000 0.746 25 E HN 0.599 nan 8.360 nan 0.000 0.452 26 N N -0.550 118.147 118.700 -0.004 0.000 2.120 26 N HA -0.155 4.584 4.740 -0.000 0.000 0.188 26 N C 1.757 177.259 175.510 -0.012 0.000 1.024 26 N CA 0.999 54.051 53.050 0.004 0.000 0.852 26 N CB -0.216 38.291 38.487 0.034 0.000 1.003 26 N HN 0.123 nan 8.380 nan 0.000 0.424 27 F N 2.281 122.140 119.950 -0.152 0.000 2.146 27 F HA -0.122 4.404 4.527 -0.001 0.000 0.298 27 F C 2.187 177.876 175.800 -0.186 0.000 1.096 27 F CA 1.193 59.085 58.000 -0.180 0.000 1.275 27 F CB -0.345 38.492 39.000 -0.271 0.000 1.008 27 F HN -0.043 nan 8.300 nan 0.000 0.480 28 N N 0.818 119.405 118.700 -0.187 0.000 2.104 28 N HA -0.267 4.472 4.740 -0.000 0.000 0.190 28 N C 1.949 177.342 175.510 -0.196 0.000 1.024 28 N CA 1.886 54.801 53.050 -0.224 0.000 0.853 28 N CB -0.406 37.950 38.487 -0.218 0.000 1.008 28 N HN 0.393 nan 8.380 nan 0.000 0.424 29 K N -0.271 120.044 120.400 -0.142 0.000 2.057 29 K HA -0.140 4.180 4.320 -0.000 0.000 0.207 29 K C 1.953 178.468 176.600 -0.141 0.000 1.049 29 K CA 1.126 57.351 56.287 -0.103 0.000 0.931 29 K CB -0.342 32.122 32.500 -0.060 0.000 0.714 29 K HN 0.227 nan 8.250 nan 0.000 0.440 30 L N 1.190 122.288 121.223 -0.208 0.000 2.127 30 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 30 L C 1.553 178.280 176.870 -0.238 0.000 1.089 30 L CA 1.499 56.205 54.840 -0.224 0.000 0.757 30 L CB -0.125 41.751 42.059 -0.305 0.000 0.899 30 L HN 0.199 nan 8.230 nan 0.000 0.434 31 V N -4.010 115.695 119.914 -0.348 0.000 3.170 31 V HA 0.351 4.470 4.120 -0.000 0.000 0.354 31 V C 1.017 177.025 176.094 -0.143 0.000 1.350 31 V CA 0.172 62.324 62.300 -0.246 0.000 1.244 31 V CB -0.866 30.754 31.823 -0.338 0.000 1.222 31 V HN 0.419 nan 8.190 nan 0.000 0.478 32 S N 1.015 116.646 115.700 -0.115 0.000 3.533 32 S HA -0.183 4.287 4.470 -0.000 0.000 0.347 32 S C 1.579 176.144 174.600 -0.058 0.000 1.101 32 S CA 1.589 59.746 58.200 -0.071 0.000 1.009 32 S CB -1.673 61.496 63.200 -0.051 0.000 0.916 32 S HN 2.419 nan 8.310 nan 0.000 0.496 33 G N 0.147 108.905 108.800 -0.069 0.000 2.176 33 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.253 33 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.253 33 G C 0.586 175.462 174.900 -0.041 0.000 0.979 33 G CA 1.098 46.175 45.100 -0.038 0.000 0.641 33 G HN 0.687 nan 8.290 nan 0.000 0.530 34 K N -0.260 120.103 120.400 -0.062 0.000 2.147 34 K HA 0.089 4.408 4.320 -0.000 0.000 0.205 34 K C 2.423 178.978 176.600 -0.075 0.000 1.049 34 K CA 1.764 58.018 56.287 -0.056 0.000 0.936 34 K CB -0.170 32.303 32.500 -0.045 0.000 0.722 34 K HN 0.433 nan 8.250 nan 0.000 0.446 35 L N 1.092 122.271 121.223 -0.072 0.000 2.027 35 L HA -0.102 4.237 4.340 -0.000 0.000 0.206 35 L C 2.313 179.143 176.870 -0.068 0.000 1.074 35 L CA 1.721 56.504 54.840 -0.096 0.000 0.745 35 L CB -0.610 41.412 42.059 -0.063 0.000 0.898 35 L HN 0.077 nan 8.230 nan 0.000 0.433 36 R N 0.144 120.684 120.500 0.067 0.000 2.081 36 R HA -0.204 4.135 4.340 -0.000 0.000 0.235 36 R C 2.303 178.602 176.300 -0.002 0.000 1.131 36 R CA 1.993 58.176 56.100 0.137 0.000 0.960 36 R CB -0.628 29.779 30.300 0.177 0.000 0.856 36 R HN 0.652 nan 8.270 nan 0.000 0.436 37 E N -0.520 119.661 120.200 -0.032 0.000 2.058 37 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 37 E C 1.741 178.289 176.600 -0.087 0.000 0.997 37 E CA 1.555 57.928 56.400 -0.045 0.000 0.801 37 E CB -0.188 29.490 29.700 -0.036 0.000 0.746 37 E HN 0.360 nan 8.360 nan 0.000 0.450 38 I N 0.667 121.133 120.570 -0.173 0.000 2.353 38 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 38 I C 2.161 178.075 176.117 -0.338 0.000 1.119 38 I CA 0.580 61.728 61.300 -0.252 0.000 1.417 38 I CB -0.230 37.568 38.000 -0.337 0.000 1.078 38 I HN 0.247 nan 8.210 nan 0.000 0.421 39 L N 0.552 121.510 121.223 -0.443 0.000 2.046 39 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 39 L C 2.040 178.895 176.870 -0.025 0.000 1.077 39 L CA 2.003 56.713 54.840 -0.217 0.000 0.747 39 L CB -1.202 40.807 42.059 -0.084 0.000 0.896 39 L HN 0.331 nan 8.230 nan 0.000 0.432 40 N N -0.628 118.048 118.700 -0.041 0.000 2.120 40 N HA -0.166 4.573 4.740 -0.000 0.000 0.188 40 N C 1.941 177.457 175.510 0.009 0.000 1.024 40 N CA 1.504 54.548 53.050 -0.010 0.000 0.852 40 N CB -0.187 38.291 38.487 -0.014 0.000 1.003 40 N HN 0.360 nan 8.380 nan 0.000 0.424 41 I N 0.776 121.348 120.570 0.004 0.000 2.286 41 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 41 I C 2.280 178.435 176.117 0.064 0.000 1.115 41 I CA 0.962 62.279 61.300 0.028 0.000 1.392 41 I CB -0.304 37.711 38.000 0.024 0.000 1.065 41 I HN 0.242 nan 8.210 nan 0.000 0.418 42 S N -0.024 115.740 115.700 0.106 0.000 2.507 42 S HA 0.128 4.598 4.470 -0.000 0.000 0.235 42 S C 1.191 175.852 174.600 0.102 0.000 0.988 42 S CA 0.493 58.786 58.200 0.156 0.000 0.944 42 S CB -0.298 63.094 63.200 0.320 0.000 0.762 42 S HN 0.679 nan 8.310 nan 0.000 0.526 43 G N 1.825 110.668 108.800 0.072 0.000 2.545 43 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.211 43 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.211 43 G C -2.754 172.169 174.900 0.038 0.000 1.167 43 G CA -0.459 44.670 45.100 0.049 0.000 1.151 43 G HN 0.533 nan 8.290 nan 0.000 0.581 44 P HA 0.357 nan 4.420 nan 0.000 0.269 44 P C -2.313 175.000 177.300 0.022 0.000 1.209 44 P CA -0.506 62.606 63.100 0.021 0.000 0.776 44 P CB 0.257 31.967 31.700 0.017 0.000 0.876 45 P HA 0.176 nan 4.420 nan 0.000 0.272 45 P C -0.277 177.026 177.300 0.005 0.000 1.230 45 P CA -0.195 62.906 63.100 0.001 0.000 0.788 45 P CB 0.781 32.473 31.700 -0.014 0.000 0.949 46 L N 1.657 122.880 121.223 0.000 0.000 2.319 46 L HA 0.238 4.577 4.340 -0.000 0.000 0.280 46 L C 1.179 178.045 176.870 -0.007 0.000 1.099 46 L CA -0.175 54.664 54.840 -0.002 0.000 0.828 46 L CB 0.265 42.324 42.059 -0.001 0.000 1.150 46 L HN 0.326 nan 8.230 nan 0.000 0.442 47 K N 2.054 122.453 120.400 -0.002 0.000 2.177 47 K HA 0.599 4.919 4.320 -0.000 0.000 0.238 47 K C -0.085 176.516 176.600 0.002 0.000 1.015 47 K CA -0.908 55.381 56.287 0.004 0.000 0.922 47 K CB 1.096 33.601 32.500 0.009 0.000 1.127 47 K HN 0.631 nan 8.250 nan 0.000 0.469 48 A N 0.525 123.352 122.820 0.012 0.000 2.580 48 A HA 0.275 4.595 4.320 -0.000 0.000 0.244 48 A C 1.158 178.745 177.584 0.006 0.000 1.045 48 A CA 1.174 53.218 52.037 0.011 0.000 0.761 48 A CB -1.298 17.717 19.000 0.025 0.000 0.962 48 A HN 0.908 nan 8.150 nan 0.000 0.512 49 G N 1.807 110.605 108.800 -0.004 0.000 2.205 49 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.261 49 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.261 49 G C 0.376 175.271 174.900 -0.009 0.000 0.980 49 G CA 0.719 45.818 45.100 -0.002 0.000 0.632 49 G HN 0.765 nan 8.290 nan 0.000 0.533 50 K N 1.093 121.485 120.400 -0.014 0.000 2.098 50 K HA 0.702 5.021 4.320 -0.000 0.000 0.257 50 K C 0.622 177.201 176.600 -0.035 0.000 0.999 50 K CA 0.491 56.766 56.287 -0.020 0.000 0.924 50 K CB 1.390 33.881 32.500 -0.015 0.000 1.028 50 K HN 0.635 nan 8.250 nan 0.000 0.466 51 T N -1.481 113.042 114.554 -0.051 0.000 2.896 51 T HA 0.705 5.054 4.350 -0.000 0.000 0.297 51 T C -0.733 173.893 174.700 -0.123 0.000 1.108 51 T CA -1.011 61.041 62.100 -0.081 0.000 1.004 51 T CB 2.439 71.255 68.868 -0.087 0.000 1.159 51 T HN 0.540 nan 8.240 nan 0.000 0.499 52 R N 0.247 120.625 120.500 -0.203 0.000 2.626 52 R HA 0.605 4.945 4.340 -0.000 0.000 0.274 52 R C -1.442 174.471 176.300 -0.646 0.000 1.031 52 R CA -0.507 55.365 56.100 -0.381 0.000 0.898 52 R CB 2.367 32.463 30.300 -0.340 0.000 1.222 52 R HN 0.871 nan 8.270 nan 0.000 0.455 53 T N 3.652 117.746 114.554 -0.767 0.000 2.823 53 T HA 0.561 4.910 4.350 -0.000 0.000 0.279 53 T C -1.180 172.844 174.700 -1.128 0.000 0.998 53 T CA -0.272 61.335 62.100 -0.821 0.000 0.994 53 T CB 0.592 69.099 68.868 -0.602 0.000 0.960 53 T HN 0.223 nan 8.240 nan 0.000 0.448 54 F N 2.150 121.846 119.950 -0.422 0.000 2.493 54 F HA 0.550 5.077 4.527 -0.000 0.000 0.329 54 F C -0.504 175.094 175.800 -0.337 0.000 1.126 54 F CA -1.345 56.474 58.000 -0.300 0.000 0.937 54 F CB 1.055 39.997 39.000 -0.096 0.000 1.146 54 F HN 0.476 nan 8.300 nan 0.000 0.442 55 Y N -0.056 120.366 120.300 0.203 0.000 2.419 55 Y HA 0.530 5.080 4.550 -0.000 0.000 0.328 55 Y C 1.135 177.124 175.900 0.148 0.000 1.162 55 Y CA -0.983 57.201 58.100 0.140 0.000 1.174 55 Y CB 1.609 40.122 38.460 0.088 0.000 1.228 55 Y HN 0.837 nan 8.280 nan 0.000 0.473 56 G N 1.264 110.250 108.800 0.311 0.000 2.203 56 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 56 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 56 G C 0.693 175.711 174.900 0.196 0.000 1.012 56 G CA 0.727 45.955 45.100 0.212 0.000 0.749 56 G HN 0.691 nan 8.290 nan 0.000 0.512 57 L N -1.206 120.171 121.223 0.256 0.000 2.217 57 L HA 0.161 4.501 4.340 -0.000 0.000 0.211 57 L C 1.315 178.364 176.870 0.299 0.000 1.107 57 L CA 1.008 56.005 54.840 0.261 0.000 0.783 57 L CB -0.016 42.252 42.059 0.348 0.000 0.919 57 L HN 0.523 nan 8.230 nan 0.000 0.442 58 H N -0.736 118.491 119.070 0.262 0.000 3.038 58 H HA 0.053 4.609 4.556 -0.000 0.000 0.362 58 H C 0.029 175.454 175.328 0.162 0.000 1.167 58 H CA -0.249 55.932 56.048 0.222 0.000 1.197 58 H CB 1.867 31.876 29.762 0.412 0.000 1.840 58 H HN 0.161 nan 8.280 nan 0.000 0.540 59 E N 1.979 122.028 120.200 -0.252 0.000 2.204 59 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 59 E C -0.082 176.522 176.600 0.007 0.000 0.990 59 E CA 1.532 57.873 56.400 -0.099 0.000 0.821 59 E CB 0.212 29.809 29.700 -0.171 0.000 0.750 59 E HN 0.412 nan 8.360 nan 0.000 0.477 60 D N -0.342 120.156 120.400 0.164 0.000 2.323 60 D HA 0.033 4.673 4.640 -0.000 0.000 0.209 60 D C -0.452 175.547 176.300 -0.503 0.000 0.973 60 D CA 0.621 54.521 54.000 -0.165 0.000 0.874 60 D CB 0.157 40.788 40.800 -0.280 0.000 0.930 60 D HN 0.183 nan 8.370 nan 0.000 0.521 61 F N 0.449 120.552 119.950 0.255 0.000 2.769 61 F HA 0.257 4.784 4.527 -0.000 0.000 0.358 61 F C -1.679 174.208 175.800 0.146 0.000 1.285 61 F CA -2.070 56.011 58.000 0.135 0.000 1.199 61 F CB 1.734 40.760 39.000 0.043 0.000 1.558 61 F HN -0.218 nan 8.300 nan 0.000 0.583 62 P HA -0.082 nan 4.420 nan 0.000 0.221 62 P C 0.037 177.505 177.300 0.281 0.000 1.145 62 P CA 0.915 64.151 63.100 0.226 0.000 0.795 62 P CB 0.515 32.307 31.700 0.153 0.000 0.775 63 S N -0.376 115.460 115.700 0.228 0.000 2.605 63 S HA 0.416 4.886 4.470 -0.000 0.000 0.308 63 S C -0.573 174.026 174.600 -0.002 0.000 1.113 63 S CA -0.541 57.733 58.200 0.124 0.000 1.049 63 S CB 2.100 65.390 63.200 0.149 0.000 1.001 63 S HN -0.257 nan 8.310 nan 0.000 0.480 64 V N 4.114 123.968 119.914 -0.100 0.000 2.407 64 V HA 0.444 4.564 4.120 -0.000 0.000 0.291 64 V C -0.499 175.477 176.094 -0.197 0.000 1.018 64 V CA -0.621 61.567 62.300 -0.187 0.000 0.842 64 V CB 1.769 33.479 31.823 -0.188 0.000 0.996 64 V HN 0.679 nan 8.190 nan 0.000 0.426 65 V N 6.214 125.999 119.914 -0.216 0.000 2.347 65 V HA 0.411 4.531 4.120 -0.000 0.000 0.280 65 V C 0.021 176.026 176.094 -0.149 0.000 1.021 65 V CA -0.564 61.612 62.300 -0.206 0.000 0.847 65 V CB 1.708 33.428 31.823 -0.172 0.000 0.990 65 V HN 0.593 nan 8.190 nan 0.000 0.444 66 V N 6.180 126.045 119.914 -0.083 0.000 2.481 66 V HA 0.541 4.661 4.120 -0.000 0.000 0.286 66 V C 0.048 176.123 176.094 -0.031 0.000 1.042 66 V CA -0.431 61.877 62.300 0.012 0.000 0.928 66 V CB 1.748 33.706 31.823 0.226 0.000 0.986 66 V HN 0.753 nan 8.190 nan 0.000 0.462 67 V N 1.759 121.647 119.914 -0.043 0.000 2.680 67 V HA 0.931 5.050 4.120 -0.000 0.000 0.309 67 V C 0.379 176.434 176.094 -0.065 0.000 1.052 67 V CA -0.573 61.692 62.300 -0.057 0.000 0.908 67 V CB 1.557 33.339 31.823 -0.069 0.000 1.001 67 V HN 0.905 nan 8.190 nan 0.000 0.431 68 G N 3.043 111.811 108.800 -0.053 0.000 2.358 68 G HA2 0.478 4.438 3.960 -0.000 0.000 0.273 68 G HA3 0.478 4.438 3.960 -0.000 0.000 0.273 68 G C 0.220 175.082 174.900 -0.063 0.000 1.215 68 G CA -0.524 44.542 45.100 -0.056 0.000 0.910 68 G HN 0.918 nan 8.290 nan 0.000 0.467 69 L N 2.545 123.707 121.223 -0.103 0.000 2.585 69 L HA 0.268 4.608 4.340 -0.000 0.000 0.226 69 L C 1.776 178.685 176.870 0.065 0.000 1.113 69 L CA 0.547 55.346 54.840 -0.068 0.000 0.876 69 L CB -0.634 41.277 42.059 -0.246 0.000 1.072 69 L HN 0.914 nan 8.230 nan 0.000 0.468 70 G N 0.721 109.567 108.800 0.076 0.000 2.553 70 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.242 70 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.242 70 G C -0.424 174.583 174.900 0.178 0.000 1.277 70 G CA -0.726 44.434 45.100 0.102 0.000 0.910 70 G HN 0.037 nan 8.290 nan 0.000 0.576 71 K N 0.961 121.428 120.400 0.112 0.000 2.383 71 K HA 0.167 4.486 4.320 -0.000 0.000 0.286 71 K C 1.522 178.141 176.600 0.031 0.000 1.051 71 K CA 0.147 56.473 56.287 0.066 0.000 0.974 71 K CB 1.380 33.892 32.500 0.020 0.000 0.968 71 K HN 0.693 nan 8.250 nan 0.000 0.475 72 K N 1.804 122.111 120.400 -0.156 0.000 2.059 72 K HA -0.181 4.139 4.320 -0.000 0.000 0.212 72 K C 1.021 177.487 176.600 -0.223 0.000 1.050 72 K CA 2.112 58.084 56.287 -0.524 0.000 0.927 72 K CB 0.101 31.987 32.500 -1.023 0.000 0.714 72 K HN 0.676 nan 8.250 nan 0.000 0.447 73 T N -1.573 112.893 114.554 -0.146 0.000 3.235 73 T HA 0.370 4.720 4.350 -0.000 0.000 0.251 73 T C 0.257 174.928 174.700 -0.048 0.000 1.060 73 T CA -0.083 61.968 62.100 -0.081 0.000 0.949 73 T CB 0.264 69.087 68.868 -0.075 0.000 1.020 73 T HN 0.261 nan 8.240 nan 0.000 0.564 74 A N 0.870 123.672 122.820 -0.030 0.000 2.515 74 A HA 0.610 4.929 4.320 -0.000 0.000 0.263 74 A C 1.044 178.547 177.584 -0.136 0.000 1.096 74 A CA -0.050 51.961 52.037 -0.043 0.000 0.769 74 A CB -0.339 18.660 19.000 -0.003 0.000 1.040 74 A HN 0.611 nan 8.150 nan 0.000 0.505 75 G N 1.378 110.048 108.800 -0.218 0.000 3.194 75 G HA2 0.504 4.463 3.960 -0.000 0.000 0.160 75 G HA3 0.504 4.463 3.960 -0.000 0.000 0.160 75 G C -0.011 174.576 174.900 -0.522 0.000 1.267 75 G CA -0.916 43.895 45.100 -0.483 0.000 0.962 75 G HN 0.677 nan 8.290 nan 0.000 0.612 76 I N 1.644 122.019 120.570 -0.324 0.000 2.533 76 I HA 0.065 4.234 4.170 -0.000 0.000 0.284 76 I C -0.451 175.654 176.117 -0.021 0.000 1.109 76 I CA -0.076 61.148 61.300 -0.127 0.000 1.412 76 I CB 0.929 38.907 38.000 -0.037 0.000 1.396 76 I HN 0.216 nan 8.210 nan 0.000 0.543 77 D N 6.343 126.791 120.400 0.080 0.000 2.347 77 D HA 0.083 4.723 4.640 -0.000 0.000 0.235 77 D C 0.883 177.223 176.300 0.066 0.000 1.149 77 D CA -0.244 53.813 54.000 0.096 0.000 0.850 77 D CB 1.141 42.059 40.800 0.196 0.000 1.061 77 D HN 0.419 nan 8.370 nan 0.000 0.487 78 E N 2.017 122.246 120.200 0.049 0.000 2.118 78 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 78 E C 1.558 178.192 176.600 0.056 0.000 0.992 78 E CA 1.311 57.745 56.400 0.056 0.000 0.804 78 E CB 0.121 29.848 29.700 0.046 0.000 0.741 78 E HN 0.498 nan 8.360 nan 0.000 0.458 79 Q N 0.093 119.911 119.800 0.031 0.000 2.187 79 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 79 Q C 1.423 177.398 176.000 -0.042 0.000 0.957 79 Q CA 0.840 56.651 55.803 0.013 0.000 0.857 79 Q CB 0.252 28.991 28.738 0.002 0.000 0.929 79 Q HN 0.366 nan 8.270 nan 0.000 0.453 80 E N 0.396 120.523 120.200 -0.123 0.000 2.472 80 E HA 0.056 4.406 4.350 -0.000 0.000 0.196 80 E C -0.272 176.085 176.600 -0.405 0.000 1.033 80 E CA -0.153 56.005 56.400 -0.405 0.000 0.886 80 E CB 0.027 29.295 29.700 -0.719 0.000 0.944 80 E HN 0.428 nan 8.360 nan 0.000 0.492 81 N N 0.798 119.441 118.700 -0.095 0.000 2.740 81 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 81 N C -0.976 174.551 175.510 0.028 0.000 1.062 81 N CA 0.698 53.760 53.050 0.020 0.000 0.704 81 N CB -1.006 37.606 38.487 0.209 0.000 0.968 81 N HN 0.273 nan 8.380 nan 0.000 0.547 82 W N -1.102 120.196 121.300 -0.002 0.000 3.074 82 W HA 0.469 5.128 4.660 -0.001 0.000 0.332 82 W C -1.026 175.501 176.519 0.012 0.000 1.253 82 W CA -1.212 56.131 57.345 -0.003 0.000 1.180 82 W CB 0.226 29.707 29.460 0.036 0.000 1.445 82 W HN -0.035 nan 8.180 nan 0.000 0.573 83 H N 2.838 122.022 119.070 0.191 0.000 2.934 83 H HA 0.119 4.674 4.556 -0.000 0.000 0.273 83 H C 1.034 176.301 175.328 -0.102 0.000 1.121 83 H CA 1.152 57.226 56.048 0.043 0.000 1.451 83 H CB 0.898 30.643 29.762 -0.028 0.000 1.469 83 H HN 0.849 nan 8.280 nan 0.000 0.476 84 E N 3.118 123.280 120.200 -0.064 0.000 2.077 84 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 84 E C 1.869 178.444 176.600 -0.041 0.000 0.989 84 E CA 1.179 57.522 56.400 -0.095 0.000 0.800 84 E CB -0.150 29.577 29.700 0.046 0.000 0.746 84 E HN 0.928 nan 8.360 nan 0.000 0.452 85 G N 1.127 109.980 108.800 0.088 0.000 2.446 85 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.217 85 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.217 85 G C 1.532 176.487 174.900 0.091 0.000 1.168 85 G CA 1.089 46.287 45.100 0.163 0.000 0.771 85 G HN 0.217 nan 8.290 nan 0.000 0.551 86 K N 0.062 120.533 120.400 0.119 0.000 2.057 86 K HA -0.061 4.259 4.320 -0.000 0.000 0.207 86 K C 2.475 178.949 176.600 -0.210 0.000 1.049 86 K CA 1.191 57.388 56.287 -0.150 0.000 0.931 86 K CB -0.077 32.257 32.500 -0.277 0.000 0.714 86 K HN 0.154 nan 8.250 nan 0.000 0.440 87 E N 0.876 120.913 120.200 -0.271 0.000 2.110 87 E HA -0.157 4.192 4.350 -0.000 0.000 0.193 87 E C 1.643 178.117 176.600 -0.210 0.000 0.988 87 E CA 1.145 57.324 56.400 -0.368 0.000 0.804 87 E CB -0.299 28.904 29.700 -0.829 0.000 0.745 87 E HN 0.388 nan 8.360 nan 0.000 0.458 88 N N 0.300 118.913 118.700 -0.145 0.000 2.120 88 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 88 N C 2.098 177.568 175.510 -0.066 0.000 1.024 88 N CA 0.863 53.874 53.050 -0.065 0.000 0.852 88 N CB -0.085 38.396 38.487 -0.010 0.000 1.003 88 N HN 0.097 nan 8.380 nan 0.000 0.424 89 I N 1.110 121.629 120.570 -0.086 0.000 2.179 89 I HA -0.241 3.928 4.170 -0.000 0.000 0.242 89 I C 2.335 178.364 176.117 -0.147 0.000 1.088 89 I CA 1.117 62.358 61.300 -0.098 0.000 1.357 89 I CB -0.214 37.729 38.000 -0.096 0.000 1.051 89 I HN 0.100 nan 8.210 nan 0.000 0.409 90 R N 0.821 121.173 120.500 -0.247 0.000 2.083 90 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 90 R C 2.465 178.658 176.300 -0.178 0.000 1.137 90 R CA 1.674 57.536 56.100 -0.396 0.000 0.951 90 R CB -0.579 29.169 30.300 -0.920 0.000 0.851 90 R HN 0.393 nan 8.270 nan 0.000 0.434 91 A N 1.214 124.024 122.820 -0.016 0.000 1.877 91 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 91 A C 2.398 179.999 177.584 0.028 0.000 1.186 91 A CA 1.649 53.750 52.037 0.106 0.000 0.620 91 A CB -0.740 18.319 19.000 0.098 0.000 0.822 91 A HN 0.405 nan 8.150 nan 0.000 0.443 92 A N -0.603 122.207 122.820 -0.016 0.000 1.877 92 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 92 A C 2.238 179.802 177.584 -0.034 0.000 1.186 92 A CA 1.899 53.918 52.037 -0.030 0.000 0.620 92 A CB -1.001 17.969 19.000 -0.050 0.000 0.822 92 A HN 0.413 nan 8.150 nan 0.000 0.443 93 V N -0.189 119.699 119.914 -0.044 0.000 2.427 93 V HA -0.216 3.903 4.120 -0.000 0.000 0.248 93 V C 3.037 179.124 176.094 -0.013 0.000 1.051 93 V CA 1.818 64.098 62.300 -0.034 0.000 1.048 93 V CB -1.197 30.604 31.823 -0.037 0.000 0.666 93 V HN 0.625 nan 8.190 nan 0.000 0.456 94 A N 0.157 122.977 122.820 -0.000 0.000 1.877 94 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 94 A C 2.455 180.055 177.584 0.027 0.000 1.186 94 A CA 2.153 54.211 52.037 0.036 0.000 0.620 94 A CB -0.859 18.201 19.000 0.100 0.000 0.822 94 A HN 0.565 nan 8.150 nan 0.000 0.443 95 A N -0.504 122.327 122.820 0.018 0.000 1.908 95 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 95 A C 2.432 180.006 177.584 -0.016 0.000 1.181 95 A CA 2.083 54.122 52.037 0.002 0.000 0.627 95 A CB -1.444 17.554 19.000 -0.005 0.000 0.818 95 A HN 0.760 nan 8.150 nan 0.000 0.445 96 G N -1.016 107.767 108.800 -0.028 0.000 2.421 96 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 96 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 96 G C 1.591 176.472 174.900 -0.032 0.000 1.171 96 G CA 1.296 46.368 45.100 -0.047 0.000 0.775 96 G HN 0.526 nan 8.290 nan 0.000 0.543 97 C N 0.184 119.478 119.300 -0.009 0.000 2.425 97 C HA 0.051 4.511 4.460 -0.000 0.000 0.277 97 C C 2.960 177.955 174.990 0.009 0.000 1.280 97 C CA 0.580 59.603 59.018 0.008 0.000 1.744 97 C CB -0.803 26.956 27.740 0.031 0.000 1.989 97 C HN 0.447 nan 8.230 nan 0.000 0.491 98 R N 0.370 120.875 120.500 0.009 0.000 2.115 98 R HA -0.156 4.184 4.340 -0.000 0.000 0.230 98 R C 2.215 178.515 176.300 -0.000 0.000 1.111 98 R CA 1.342 57.447 56.100 0.008 0.000 0.976 98 R CB -0.329 29.978 30.300 0.012 0.000 0.870 98 R HN 0.520 nan 8.270 nan 0.000 0.445 99 Q N 1.032 120.824 119.800 -0.012 0.000 2.083 99 Q HA -0.090 4.250 4.340 -0.000 0.000 0.198 99 Q C 1.907 177.903 176.000 -0.006 0.000 0.969 99 Q CA 1.357 57.149 55.803 -0.018 0.000 0.838 99 Q CB -0.020 28.689 28.738 -0.048 0.000 0.900 99 Q HN 0.155 nan 8.270 nan 0.000 0.436 100 I N 0.771 121.336 120.570 -0.009 0.000 2.208 100 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 100 I C 2.371 178.500 176.117 0.019 0.000 1.097 100 I CA 1.742 63.047 61.300 0.007 0.000 1.363 100 I CB -1.173 36.828 38.000 0.003 0.000 1.051 100 I HN 0.520 nan 8.210 nan 0.000 0.413 101 Q N 0.412 120.221 119.800 0.014 0.000 2.119 101 Q HA -0.263 4.077 4.340 -0.000 0.000 0.201 101 Q C 1.818 177.825 176.000 0.012 0.000 0.972 101 Q CA 1.946 57.757 55.803 0.013 0.000 0.847 101 Q CB -0.001 28.743 28.738 0.010 0.000 0.903 101 Q HN 0.382 nan 8.270 nan 0.000 0.433 102 D N -0.063 120.343 120.400 0.011 0.000 2.178 102 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 102 D C 1.432 177.744 176.300 0.020 0.000 0.980 102 D CA 0.762 54.769 54.000 0.012 0.000 0.842 102 D CB 0.013 40.819 40.800 0.010 0.000 0.948 102 D HN 0.298 nan 8.370 nan 0.000 0.472 103 L N 0.164 121.407 121.223 0.033 0.000 2.610 103 L HA 0.104 4.444 4.340 -0.000 0.000 0.232 103 L C 0.211 177.101 176.870 0.033 0.000 1.149 103 L CA 0.361 55.230 54.840 0.048 0.000 0.872 103 L CB -0.314 41.798 42.059 0.088 0.000 0.992 103 L HN 0.058 nan 8.230 nan 0.000 0.447 104 E N -0.166 120.047 120.200 0.022 0.000 2.637 104 E HA -0.231 4.119 4.350 -0.000 0.000 0.265 104 E C -0.085 176.528 176.600 0.021 0.000 1.073 104 E CA 0.185 56.594 56.400 0.015 0.000 0.778 104 E CB -1.616 28.088 29.700 0.008 0.000 1.362 104 E HN 0.455 nan 8.360 nan 0.000 0.413 105 I N 1.572 122.160 120.570 0.029 0.000 2.352 105 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 105 I C -0.683 175.452 176.117 0.030 0.000 1.036 105 I CA -1.914 59.407 61.300 0.036 0.000 1.336 105 I CB 0.691 38.722 38.000 0.050 0.000 1.407 105 I HN -0.076 nan 8.210 nan 0.000 0.497 106 P HA -0.046 nan 4.420 nan 0.000 0.225 106 P C -0.005 177.314 177.300 0.032 0.000 1.156 106 P CA 0.724 63.839 63.100 0.024 0.000 0.787 106 P CB 0.281 31.991 31.700 0.017 0.000 0.802 107 S N -1.174 114.549 115.700 0.039 0.000 2.549 107 S HA 0.616 5.086 4.470 -0.000 0.000 0.280 107 S C -1.053 173.586 174.600 0.064 0.000 1.109 107 S CA -0.848 57.381 58.200 0.048 0.000 0.905 107 S CB 2.294 65.519 63.200 0.041 0.000 1.081 107 S HN -0.063 nan 8.310 nan 0.000 0.477 108 V N 1.156 121.109 119.914 0.064 0.000 2.888 108 V HA 0.578 4.697 4.120 -0.000 0.000 0.309 108 V C -1.468 174.648 176.094 0.037 0.000 1.114 108 V CA -0.560 61.775 62.300 0.058 0.000 0.940 108 V CB 2.041 33.885 31.823 0.033 0.000 1.021 108 V HN 1.062 nan 8.190 nan 0.000 0.426 109 E N 3.912 124.121 120.200 0.014 0.000 2.175 109 E HA 0.606 4.956 4.350 -0.000 0.000 0.278 109 E C -1.386 175.125 176.600 -0.150 0.000 0.969 109 E CA -0.609 55.766 56.400 -0.042 0.000 0.796 109 E CB 2.344 32.101 29.700 0.094 0.000 1.104 109 E HN 0.522 nan 8.360 nan 0.000 0.395 110 V N 2.941 122.755 119.914 -0.165 0.000 2.448 110 V HA 0.070 4.190 4.120 -0.000 0.000 0.295 110 V C -0.029 176.007 176.094 -0.097 0.000 1.025 110 V CA -0.966 61.268 62.300 -0.109 0.000 0.859 110 V CB 1.700 33.590 31.823 0.112 0.000 0.988 110 V HN 0.670 nan 8.190 nan 0.000 0.431 111 D N 7.464 127.799 120.400 -0.109 0.000 2.493 111 D HA 0.051 4.691 4.640 -0.000 0.000 0.240 111 D C -1.119 175.200 176.300 0.031 0.000 1.142 111 D CA -1.344 52.622 54.000 -0.056 0.000 0.872 111 D CB 1.809 42.539 40.800 -0.118 0.000 1.173 111 D HN 0.294 nan 8.370 nan 0.000 0.467 112 P HA -0.067 nan 4.420 nan 0.000 0.225 112 P C 0.488 177.831 177.300 0.072 0.000 1.148 112 P CA 0.219 63.384 63.100 0.108 0.000 0.779 112 P CB -0.167 31.580 31.700 0.079 0.000 0.780 113 C N -1.334 117.990 119.300 0.041 0.000 4.268 113 C HA -0.063 4.397 4.460 -0.000 0.000 0.299 113 C C 1.731 176.773 174.990 0.086 0.000 1.429 113 C CA 0.620 59.657 59.018 0.031 0.000 2.018 113 C CB -2.923 24.809 27.740 -0.014 0.000 1.277 113 C HN 0.618 nan 8.230 nan 0.000 0.767 114 G N -0.217 108.636 108.800 0.089 0.000 2.184 114 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 114 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 114 G C -0.241 174.678 174.900 0.032 0.000 0.975 114 G CA 0.855 46.005 45.100 0.084 0.000 0.642 114 G HN 0.985 nan 8.290 nan 0.000 0.536 115 D N -0.776 119.631 120.400 0.011 0.000 2.584 115 D HA 0.559 5.199 4.640 -0.000 0.000 0.238 115 D C 1.235 177.513 176.300 -0.037 0.000 1.302 115 D CA 0.594 54.568 54.000 -0.044 0.000 0.884 115 D CB 0.280 41.023 40.800 -0.095 0.000 1.456 115 D HN 0.487 nan 8.370 nan 0.000 0.528 116 A N 2.533 125.361 122.820 0.013 0.000 1.948 116 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 116 A C 1.904 179.462 177.584 -0.043 0.000 1.177 116 A CA 1.961 54.059 52.037 0.101 0.000 0.636 116 A CB -0.323 18.789 19.000 0.187 0.000 0.815 116 A HN 0.596 nan 8.150 nan 0.000 0.449 117 Q N -0.653 119.052 119.800 -0.159 0.000 2.050 117 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 117 Q C 2.192 177.985 176.000 -0.346 0.000 0.980 117 Q CA 1.646 57.267 55.803 -0.303 0.000 0.840 117 Q CB -0.352 28.168 28.738 -0.364 0.000 0.898 117 Q HN 0.608 nan 8.270 nan 0.000 0.424 118 A N 0.631 123.279 122.820 -0.287 0.000 1.930 118 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 118 A C 2.259 179.678 177.584 -0.276 0.000 1.175 118 A CA 1.563 53.421 52.037 -0.299 0.000 0.627 118 A CB -0.909 17.936 19.000 -0.259 0.000 0.815 118 A HN 0.559 nan 8.150 nan 0.000 0.443 119 A N -0.043 122.667 122.820 -0.183 0.000 1.877 119 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 119 A C 2.513 179.940 177.584 -0.262 0.000 1.186 119 A CA 2.084 54.061 52.037 -0.100 0.000 0.620 119 A CB -1.042 18.024 19.000 0.110 0.000 0.822 119 A HN 1.045 nan 8.150 nan 0.000 0.443 120 A N -0.220 122.234 122.820 -0.611 0.000 1.902 120 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 120 A C 1.910 179.131 177.584 -0.604 0.000 1.181 120 A CA 1.731 53.066 52.037 -1.170 0.000 0.623 120 A CB -0.550 17.498 19.000 -1.586 0.000 0.818 120 A HN 0.641 nan 8.150 nan 0.000 0.443 121 E N -0.709 119.218 120.200 -0.455 0.000 2.077 121 E HA -0.109 4.240 4.350 -0.000 0.000 0.193 121 E C 2.148 178.563 176.600 -0.308 0.000 0.989 121 E CA 0.808 57.002 56.400 -0.343 0.000 0.800 121 E CB -0.375 29.112 29.700 -0.355 0.000 0.746 121 E HN 0.612 nan 8.360 nan 0.000 0.452 122 G N 1.070 109.672 108.800 -0.330 0.000 2.418 122 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.217 122 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.217 122 G C 1.664 176.506 174.900 -0.098 0.000 1.158 122 G CA 0.893 45.846 45.100 -0.244 0.000 0.771 122 G HN 0.352 nan 8.290 nan 0.000 0.545 123 A N 0.027 122.790 122.820 -0.096 0.000 1.873 123 A HA 0.117 4.437 4.320 -0.000 0.000 0.215 123 A C 2.598 180.185 177.584 0.004 0.000 1.186 123 A CA 1.874 53.906 52.037 -0.008 0.000 0.616 123 A CB -0.626 18.419 19.000 0.074 0.000 0.823 123 A HN 0.255 nan 8.150 nan 0.000 0.442 124 V N -0.005 119.875 119.914 -0.056 0.000 2.379 124 V HA -0.178 3.942 4.120 -0.000 0.000 0.245 124 V C 2.521 178.645 176.094 0.050 0.000 1.044 124 V CA 1.700 63.994 62.300 -0.009 0.000 1.036 124 V CB -0.710 31.067 31.823 -0.077 0.000 0.664 124 V HN 0.523 nan 8.190 nan 0.000 0.453 125 L N 0.369 121.609 121.223 0.028 0.000 2.072 125 L HA 0.016 4.356 4.340 -0.000 0.000 0.205 125 L C 2.660 179.629 176.870 0.165 0.000 1.079 125 L CA 1.564 56.467 54.840 0.106 0.000 0.752 125 L CB -1.095 41.052 42.059 0.147 0.000 0.906 125 L HN 0.450 nan 8.230 nan 0.000 0.436 126 G N 0.166 109.042 108.800 0.128 0.000 2.422 126 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 126 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 126 G C 1.594 176.558 174.900 0.107 0.000 1.146 126 G CA 0.521 45.696 45.100 0.125 0.000 0.769 126 G HN 0.239 nan 8.290 nan 0.000 0.547 127 L N -0.889 120.395 121.223 0.101 0.000 2.418 127 L HA 0.229 4.569 4.340 -0.000 0.000 0.218 127 L C 1.201 178.120 176.870 0.082 0.000 1.125 127 L CA -0.578 54.309 54.840 0.078 0.000 0.835 127 L CB -0.204 41.895 42.059 0.068 0.000 0.953 127 L HN 0.222 nan 8.230 nan 0.000 0.454 128 Y N 2.014 122.339 120.300 0.042 0.000 2.712 128 Y HA 0.008 4.557 4.550 -0.000 0.000 0.333 128 Y C 0.241 176.175 175.900 0.056 0.000 1.225 128 Y CA 0.325 58.455 58.100 0.049 0.000 1.499 128 Y CB 0.291 38.782 38.460 0.052 0.000 1.288 128 Y HN 0.048 nan 8.280 nan 0.000 0.575 129 E N 4.695 124.309 120.200 -0.977 0.000 2.347 129 E HA 0.120 4.470 4.350 -0.000 0.000 0.285 129 E C -2.233 173.938 176.600 -0.714 0.000 0.925 129 E CA -0.882 55.158 56.400 -0.599 0.000 0.779 129 E CB 0.877 30.417 29.700 -0.265 0.000 1.233 129 E HN 0.579 nan 8.360 nan 0.000 0.414 130 Y N 4.669 124.700 120.300 -0.448 0.000 2.535 130 Y HA 0.254 4.804 4.550 -0.000 0.000 0.349 130 Y C -0.364 175.466 175.900 -0.118 0.000 0.992 130 Y CA -0.299 57.680 58.100 -0.200 0.000 1.248 130 Y CB 0.530 39.008 38.460 0.031 0.000 1.124 130 Y HN 0.485 nan 8.280 nan 0.000 0.520 131 D N 0.932 121.023 120.400 -0.515 0.000 2.582 131 D HA 0.056 4.695 4.640 -0.000 0.000 0.246 131 D C 0.476 176.518 176.300 -0.430 0.000 1.334 131 D CA -0.033 53.719 54.000 -0.414 0.000 0.805 131 D CB -0.078 40.585 40.800 -0.228 0.000 1.087 131 D HN 0.400 nan 8.370 nan 0.000 0.499 132 D N 0.799 120.820 120.400 -0.632 0.000 2.190 132 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 132 D C 1.565 177.712 176.300 -0.255 0.000 0.992 132 D CA 0.961 54.738 54.000 -0.373 0.000 0.854 132 D CB 0.115 40.724 40.800 -0.319 0.000 0.936 132 D HN 0.375 nan 8.370 nan 0.000 0.462 133 L N -0.507 120.537 121.223 -0.298 0.000 2.653 133 L HA 0.197 4.537 4.340 -0.000 0.000 0.231 133 L C 0.453 177.262 176.870 -0.101 0.000 1.153 133 L CA 0.058 54.816 54.840 -0.136 0.000 0.933 133 L CB 0.021 42.043 42.059 -0.063 0.000 1.175 133 L HN -0.234 nan 8.230 nan 0.000 0.473 134 K N -0.179 120.146 120.400 -0.124 0.000 2.203 134 K HA 0.331 4.650 4.320 -0.000 0.000 0.251 134 K C 0.214 176.772 176.600 -0.070 0.000 0.944 134 K CA -0.541 55.696 56.287 -0.084 0.000 0.829 134 K CB 2.237 34.684 32.500 -0.088 0.000 1.125 134 K HN -0.054 nan 8.250 nan 0.000 0.430 135 Q N 0.804 120.574 119.800 -0.049 0.000 2.062 135 Q HA -0.047 4.293 4.340 -0.000 0.000 0.196 135 Q C 0.504 176.479 176.000 -0.041 0.000 0.967 135 Q CA 1.048 56.827 55.803 -0.040 0.000 0.832 135 Q CB 0.210 28.930 28.738 -0.029 0.000 0.899 135 Q HN 0.236 nan 8.270 nan 0.000 0.442 136 K N 1.743 122.119 120.400 -0.039 0.000 2.316 136 K HA 0.185 4.505 4.320 -0.000 0.000 0.289 136 K C -0.968 175.603 176.600 -0.048 0.000 1.070 136 K CA 0.227 56.492 56.287 -0.037 0.000 0.928 136 K CB 0.445 32.927 32.500 -0.029 0.000 1.039 136 K HN 0.056 nan 8.250 nan 0.000 0.480 137 R N 3.270 123.741 120.500 -0.048 0.000 2.771 137 R HA 0.352 4.691 4.340 -0.000 0.000 0.274 137 R C -0.362 175.911 176.300 -0.044 0.000 0.987 137 R CA -0.962 55.104 56.100 -0.058 0.000 0.908 137 R CB 1.981 32.240 30.300 -0.069 0.000 1.213 137 R HN 0.496 nan 8.270 nan 0.000 0.468 138 K N 0.575 120.947 120.400 -0.047 0.000 2.120 138 K HA 0.233 4.553 4.320 -0.000 0.000 0.245 138 K C -0.101 176.481 176.600 -0.029 0.000 1.024 138 K CA -0.535 55.732 56.287 -0.033 0.000 0.906 138 K CB 0.718 33.199 32.500 -0.032 0.000 1.051 138 K HN 0.144 nan 8.250 nan 0.000 0.491 139 V N 1.950 121.853 119.914 -0.018 0.000 2.655 139 V HA -0.032 4.087 4.120 -0.000 0.000 0.300 139 V C 0.192 176.280 176.094 -0.010 0.000 1.044 139 V CA -0.292 62.001 62.300 -0.011 0.000 1.095 139 V CB 1.079 32.901 31.823 -0.002 0.000 0.952 139 V HN 0.382 nan 8.190 nan 0.000 0.485 140 V N 6.224 126.132 119.914 -0.009 0.000 2.470 140 V HA 0.128 4.248 4.120 -0.000 0.000 0.276 140 V C 0.199 176.301 176.094 0.012 0.000 1.040 140 V CA -0.033 62.265 62.300 -0.003 0.000 1.008 140 V CB 1.186 33.008 31.823 -0.003 0.000 0.990 140 V HN 0.599 nan 8.190 nan 0.000 0.477 141 V N 4.730 124.657 119.914 0.021 0.000 2.394 141 V HA 0.351 4.471 4.120 -0.000 0.000 0.282 141 V C 0.375 176.500 176.094 0.051 0.000 1.031 141 V CA -0.204 62.116 62.300 0.035 0.000 0.881 141 V CB 1.849 33.694 31.823 0.036 0.000 0.982 141 V HN 0.861 nan 8.190 nan 0.000 0.451 142 S N 4.464 120.196 115.700 0.054 0.000 2.420 142 S HA 0.706 5.176 4.470 -0.000 0.000 0.313 142 S C -0.017 174.634 174.600 0.085 0.000 1.079 142 S CA -0.338 57.903 58.200 0.068 0.000 1.104 142 S CB 0.471 63.703 63.200 0.053 0.000 0.969 142 S HN 1.044 nan 8.310 nan 0.000 0.471 143 A N 5.566 128.463 122.820 0.128 0.000 2.292 143 A HA 0.754 5.074 4.320 -0.000 0.000 0.319 143 A C -0.197 177.522 177.584 0.225 0.000 1.206 143 A CA -0.639 51.503 52.037 0.174 0.000 0.835 143 A CB 0.700 19.843 19.000 0.238 0.000 1.164 143 A HN 0.829 nan 8.150 nan 0.000 0.505 144 K N 0.963 121.393 120.400 0.049 0.000 2.480 144 K HA 0.478 4.798 4.320 -0.000 0.000 0.258 144 K C -1.176 174.970 176.600 -0.756 0.000 0.990 144 K CA -0.999 55.168 56.287 -0.201 0.000 0.857 144 K CB 2.106 34.526 32.500 -0.133 0.000 1.384 144 K HN 0.572 nan 8.250 nan 0.000 0.446 145 L N 1.826 122.229 121.223 -1.366 0.000 2.453 145 L HA 0.094 4.433 4.340 -0.000 0.000 0.272 145 L C -0.310 176.231 176.870 -0.547 0.000 1.182 145 L CA 0.420 54.443 54.840 -1.363 0.000 0.858 145 L CB -0.016 41.334 42.059 -1.182 0.000 1.120 145 L HN 0.513 nan 8.230 nan 0.000 0.474 146 H N 4.843 123.639 119.070 -0.456 0.000 2.723 146 H HA 0.600 5.155 4.556 -0.000 0.000 0.294 146 H C 0.280 175.484 175.328 -0.206 0.000 1.079 146 H CA 0.600 56.488 56.048 -0.268 0.000 1.411 146 H CB 0.101 29.712 29.762 -0.252 0.000 1.439 146 H HN 1.030 nan 8.280 nan 0.000 0.474 147 G N 2.722 111.228 108.800 -0.490 0.000 2.566 147 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.599 147 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.599 147 G C 0.134 174.901 174.900 -0.221 0.000 1.292 147 G CA -0.134 44.754 45.100 -0.352 0.000 0.922 147 G HN 1.203 nan 8.290 nan 0.000 0.514 148 S N -1.665 113.944 115.700 -0.153 0.000 2.937 148 S HA 0.365 4.835 4.470 -0.000 0.000 0.252 148 S C 0.806 175.364 174.600 -0.071 0.000 1.022 148 S CA 0.637 58.772 58.200 -0.108 0.000 1.079 148 S CB 0.844 63.991 63.200 -0.088 0.000 1.035 148 S HN 0.562 nan 8.310 nan 0.000 0.594 149 E N 2.033 122.194 120.200 -0.066 0.000 2.400 149 E HA 0.088 4.438 4.350 -0.000 0.000 0.195 149 E C -0.176 176.414 176.600 -0.017 0.000 1.012 149 E CA 0.526 56.904 56.400 -0.036 0.000 0.875 149 E CB 0.030 29.712 29.700 -0.031 0.000 0.859 149 E HN 0.654 nan 8.360 nan 0.000 0.498 150 D N 0.978 121.371 120.400 -0.013 0.000 2.891 150 D HA 0.108 4.748 4.640 -0.000 0.000 0.312 150 D C 0.950 177.288 176.300 0.065 0.000 1.354 150 D CA -0.045 53.971 54.000 0.025 0.000 0.838 150 D CB 0.632 41.458 40.800 0.044 0.000 1.117 150 D HN 0.110 nan 8.370 nan 0.000 0.473 151 Q N 0.795 120.619 119.800 0.039 0.000 2.030 151 Q HA -0.199 4.140 4.340 -0.000 0.000 0.204 151 Q C 1.946 178.010 176.000 0.106 0.000 0.986 151 Q CA 1.277 57.122 55.803 0.071 0.000 0.843 151 Q CB 0.140 28.894 28.738 0.026 0.000 0.904 151 Q HN 0.375 nan 8.270 nan 0.000 0.420 152 E N 0.499 120.733 120.200 0.057 0.000 2.051 152 E HA -0.210 4.139 4.350 -0.000 0.000 0.192 152 E C 1.952 178.563 176.600 0.019 0.000 0.991 152 E CA 1.037 57.459 56.400 0.036 0.000 0.799 152 E CB -0.091 29.617 29.700 0.013 0.000 0.748 152 E HN 0.342 nan 8.360 nan 0.000 0.449 153 A N 1.742 124.570 122.820 0.014 0.000 1.902 153 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 153 A C 2.059 179.631 177.584 -0.021 0.000 1.181 153 A CA 1.266 53.281 52.037 -0.037 0.000 0.623 153 A CB -1.266 17.713 19.000 -0.035 0.000 0.818 153 A HN 0.748 nan 8.150 nan 0.000 0.443 154 W N 0.565 121.816 121.300 -0.082 0.000 2.355 154 W HA -0.219 4.440 4.660 -0.001 0.000 0.309 154 W C 1.932 178.414 176.519 -0.061 0.000 1.206 154 W CA 2.319 59.621 57.345 -0.072 0.000 1.284 154 W CB -0.388 29.042 29.460 -0.050 0.000 1.145 154 W HN 0.438 nan 8.180 nan 0.000 0.502 155 Q N 0.828 120.698 119.800 0.116 0.000 2.170 155 Q HA -0.181 4.158 4.340 -0.000 0.000 0.203 155 Q C 2.434 178.392 176.000 -0.069 0.000 0.976 155 Q CA 1.862 57.685 55.803 0.033 0.000 0.858 155 Q CB -0.649 28.150 28.738 0.101 0.000 0.907 155 Q HN 0.260 nan 8.270 nan 0.000 0.433 156 R N -1.221 119.224 120.500 -0.090 0.000 2.096 156 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 156 R C 2.019 178.230 176.300 -0.150 0.000 1.127 156 R CA 1.391 57.432 56.100 -0.099 0.000 0.968 156 R CB -0.541 29.640 30.300 -0.199 0.000 0.861 156 R HN 0.412 nan 8.270 nan 0.000 0.440 157 G N -0.178 108.438 108.800 -0.307 0.000 2.402 157 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 157 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 157 G C 1.381 176.098 174.900 -0.304 0.000 1.162 157 G CA 0.756 45.628 45.100 -0.380 0.000 0.777 157 G HN 0.207 nan 8.290 nan 0.000 0.539 158 V N 0.826 120.517 119.914 -0.371 0.000 2.343 158 V HA -0.149 3.971 4.120 -0.000 0.000 0.247 158 V C 2.678 178.714 176.094 -0.096 0.000 1.051 158 V CA 1.706 63.853 62.300 -0.255 0.000 1.036 158 V CB -0.444 31.256 31.823 -0.205 0.000 0.654 158 V HN 0.397 nan 8.190 nan 0.000 0.451 159 L N -1.310 119.891 121.223 -0.036 0.000 2.027 159 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 159 L C 2.371 179.257 176.870 0.027 0.000 1.074 159 L CA 1.855 56.698 54.840 0.004 0.000 0.745 159 L CB -0.322 41.754 42.059 0.028 0.000 0.898 159 L HN 0.202 nan 8.230 nan 0.000 0.433 160 F N 0.212 120.070 119.950 -0.152 0.000 2.069 160 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 160 F C 2.626 178.352 175.800 -0.123 0.000 1.113 160 F CA 1.481 59.401 58.000 -0.133 0.000 1.214 160 F CB -1.105 37.805 39.000 -0.150 0.000 0.978 160 F HN 0.171 nan 8.300 nan 0.000 0.474 161 A N -0.940 121.912 122.820 0.052 0.000 1.933 161 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 161 A C 2.389 179.940 177.584 -0.056 0.000 1.175 161 A CA 2.042 54.063 52.037 -0.027 0.000 0.628 161 A CB -1.092 17.858 19.000 -0.085 0.000 0.814 161 A HN 0.334 nan 8.150 nan 0.000 0.444 162 S N -0.434 115.231 115.700 -0.057 0.000 2.382 162 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 162 S C 2.056 176.599 174.600 -0.096 0.000 1.027 162 S CA 1.050 59.209 58.200 -0.068 0.000 0.991 162 S CB -0.590 62.580 63.200 -0.050 0.000 0.823 162 S HN 0.775 nan 8.310 nan 0.000 0.469 163 G N 0.931 109.670 108.800 -0.101 0.000 2.421 163 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 163 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 163 G C 1.270 176.103 174.900 -0.112 0.000 1.171 163 G CA 0.963 45.991 45.100 -0.121 0.000 0.775 163 G HN 0.530 nan 8.290 nan 0.000 0.543 164 Q N 0.100 119.843 119.800 -0.095 0.000 2.124 164 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 164 Q C 2.319 178.213 176.000 -0.177 0.000 0.977 164 Q CA 1.405 57.152 55.803 -0.093 0.000 0.850 164 Q CB -0.117 28.595 28.738 -0.043 0.000 0.901 164 Q HN 0.359 nan 8.270 nan 0.000 0.429 165 N N 0.441 118.993 118.700 -0.246 0.000 2.244 165 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 165 N C 1.572 176.841 175.510 -0.403 0.000 1.016 165 N CA 0.683 53.428 53.050 -0.508 0.000 0.866 165 N CB -0.229 37.965 38.487 -0.488 0.000 0.980 165 N HN 0.246 nan 8.380 nan 0.000 0.430 166 L N 0.913 122.011 121.223 -0.208 0.000 2.056 166 L HA 0.032 4.372 4.340 -0.000 0.000 0.207 166 L C 2.015 178.811 176.870 -0.123 0.000 1.078 166 L CA 1.490 56.248 54.840 -0.137 0.000 0.749 166 L CB -0.945 41.046 42.059 -0.114 0.000 0.901 166 L HN 0.105 nan 8.230 nan 0.000 0.433 167 A N -0.284 122.468 122.820 -0.113 0.000 1.902 167 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 167 A C 2.412 179.954 177.584 -0.070 0.000 1.181 167 A CA 1.850 53.852 52.037 -0.058 0.000 0.623 167 A CB -0.548 18.428 19.000 -0.040 0.000 0.818 167 A HN 0.516 nan 8.150 nan 0.000 0.443 168 R N -0.926 119.486 120.500 -0.145 0.000 2.073 168 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 168 R C 2.559 178.810 176.300 -0.081 0.000 1.134 168 R CA 1.582 57.602 56.100 -0.132 0.000 0.952 168 R CB -0.374 29.765 30.300 -0.268 0.000 0.850 168 R HN 0.628 nan 8.270 nan 0.000 0.433 169 R N 1.324 121.769 120.500 -0.091 0.000 2.080 169 R HA -0.152 4.187 4.340 -0.000 0.000 0.236 169 R C 2.180 178.404 176.300 -0.128 0.000 1.137 169 R CA 1.583 57.668 56.100 -0.024 0.000 0.943 169 R CB -0.409 29.942 30.300 0.085 0.000 0.846 169 R HN 0.188 nan 8.270 nan 0.000 0.431 170 L N 0.252 121.443 121.223 -0.052 0.000 2.042 170 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 170 L C 2.751 179.638 176.870 0.029 0.000 1.076 170 L CA 1.569 56.424 54.840 0.024 0.000 0.749 170 L CB -0.350 41.776 42.059 0.112 0.000 0.893 170 L HN 0.322 nan 8.230 nan 0.000 0.432 171 M N -0.875 118.724 119.600 -0.001 0.000 2.156 171 M HA -0.178 4.301 4.480 -0.000 0.000 0.264 171 M C 2.234 178.502 176.300 -0.053 0.000 1.067 171 M CA 1.445 56.740 55.300 -0.008 0.000 1.131 171 M CB -0.223 32.374 32.600 -0.006 0.000 1.368 171 M HN 0.081 nan 8.290 nan 0.000 0.416 172 E N 0.156 120.280 120.200 -0.127 0.000 2.107 172 E HA -0.039 4.310 4.350 -0.000 0.000 0.191 172 E C -0.001 176.415 176.600 -0.307 0.000 0.982 172 E CA 0.755 57.042 56.400 -0.188 0.000 0.809 172 E CB 0.012 29.588 29.700 -0.207 0.000 0.756 172 E HN 0.220 nan 8.360 nan 0.000 0.459 173 T N 4.355 118.633 114.554 -0.461 0.000 2.908 173 T HA 0.034 4.383 4.350 -0.000 0.000 0.301 173 T C -2.421 172.249 174.700 -0.050 0.000 1.019 173 T CA -0.801 61.107 62.100 -0.320 0.000 1.152 173 T CB 0.631 69.382 68.868 -0.196 0.000 0.966 173 T HN 0.168 nan 8.240 nan 0.000 0.540 174 P HA 0.088 nan 4.420 nan 0.000 0.266 174 P C 0.495 177.827 177.300 0.052 0.000 1.195 174 P CA -0.188 62.945 63.100 0.056 0.000 0.768 174 P CB 0.585 32.324 31.700 0.065 0.000 0.838 175 A N 3.946 126.801 122.820 0.058 0.000 2.024 175 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 175 A C 1.801 179.406 177.584 0.034 0.000 1.164 175 A CA 1.734 53.815 52.037 0.072 0.000 0.643 175 A CB -1.188 17.895 19.000 0.138 0.000 0.806 175 A HN 0.713 nan 8.150 nan 0.000 0.451 176 N N -0.099 118.600 118.700 -0.002 0.000 2.459 176 N HA -0.137 4.603 4.740 -0.000 0.000 0.181 176 N C 1.303 176.830 175.510 0.028 0.000 1.046 176 N CA 1.599 54.649 53.050 -0.000 0.000 0.904 176 N CB -0.195 38.279 38.487 -0.023 0.000 0.964 176 N HN 0.570 nan 8.380 nan 0.000 0.444 177 E N 0.172 120.399 120.200 0.046 0.000 2.132 177 E HA 0.115 4.464 4.350 -0.000 0.000 0.193 177 E C 0.373 177.016 176.600 0.072 0.000 0.951 177 E CA 0.216 56.652 56.400 0.061 0.000 0.843 177 E CB -0.144 29.604 29.700 0.080 0.000 0.807 177 E HN 0.182 nan 8.360 nan 0.000 0.467 178 M N 2.598 122.245 119.600 0.079 0.000 3.422 178 M HA 0.197 4.677 4.480 -0.000 0.000 0.248 178 M C -0.610 175.757 176.300 0.112 0.000 1.433 178 M CA -0.132 55.232 55.300 0.107 0.000 1.592 178 M CB -0.453 32.211 32.600 0.106 0.000 1.078 178 M HN 0.095 nan 8.290 nan 0.000 0.578 179 T N 0.542 115.158 114.554 0.103 0.000 2.824 179 T HA 0.478 4.828 4.350 -0.000 0.000 0.277 179 T C -1.962 172.808 174.700 0.116 0.000 0.975 179 T CA -1.527 60.629 62.100 0.093 0.000 0.966 179 T CB 0.512 69.425 68.868 0.075 0.000 1.054 179 T HN 0.233 nan 8.240 nan 0.000 0.533 180 P HA -0.092 nan 4.420 nan 0.000 0.215 180 P C 1.703 179.091 177.300 0.147 0.000 1.157 180 P CA 1.424 64.585 63.100 0.102 0.000 0.874 180 P CB -0.328 31.430 31.700 0.097 0.000 0.790 181 T N -0.451 114.173 114.554 0.115 0.000 2.708 181 T HA -0.182 4.167 4.350 -0.000 0.000 0.266 181 T C 1.804 176.566 174.700 0.104 0.000 1.037 181 T CA 1.741 63.902 62.100 0.102 0.000 1.146 181 T CB -0.570 68.342 68.868 0.073 0.000 0.865 181 T HN 0.056 nan 8.240 nan 0.000 0.435 182 K N 1.013 121.477 120.400 0.106 0.000 2.026 182 K HA -0.028 4.292 4.320 -0.000 0.000 0.208 182 K C 1.845 178.509 176.600 0.105 0.000 1.048 182 K CA 1.228 57.569 56.287 0.090 0.000 0.929 182 K CB -0.868 31.684 32.500 0.087 0.000 0.713 182 K HN 0.332 nan 8.250 nan 0.000 0.439 183 F N 0.677 120.633 119.950 0.010 0.000 2.126 183 F HA -0.179 4.348 4.527 -0.001 0.000 0.299 183 F C 1.843 177.638 175.800 -0.008 0.000 1.096 183 F CA 1.845 59.844 58.000 -0.002 0.000 1.255 183 F CB -0.666 38.332 39.000 -0.003 0.000 0.997 183 F HN 0.093 nan 8.300 nan 0.000 0.479 184 A N 0.051 123.010 122.820 0.230 0.000 1.902 184 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 184 A C 2.124 179.692 177.584 -0.026 0.000 1.181 184 A CA 1.848 53.951 52.037 0.111 0.000 0.623 184 A CB -0.851 18.234 19.000 0.141 0.000 0.818 184 A HN 0.582 nan 8.150 nan 0.000 0.443 185 E N -0.410 119.781 120.200 -0.014 0.000 2.106 185 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 185 E C 1.833 178.384 176.600 -0.082 0.000 0.984 185 E CA 0.936 57.313 56.400 -0.038 0.000 0.806 185 E CB -0.183 29.512 29.700 -0.009 0.000 0.750 185 E HN 0.517 nan 8.360 nan 0.000 0.458 186 I N 0.798 121.296 120.570 -0.120 0.000 2.252 186 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 186 I C 2.414 178.403 176.117 -0.214 0.000 1.102 186 I CA 0.954 62.161 61.300 -0.154 0.000 1.385 186 I CB -1.011 36.885 38.000 -0.173 0.000 1.064 186 I HN -0.003 nan 8.210 nan 0.000 0.414 187 V N 0.912 120.630 119.914 -0.326 0.000 2.343 187 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 187 V C 2.588 178.575 176.094 -0.178 0.000 1.051 187 V CA 1.916 64.032 62.300 -0.307 0.000 1.036 187 V CB -0.659 30.924 31.823 -0.399 0.000 0.654 187 V HN 0.464 nan 8.190 nan 0.000 0.451 188 E N 0.751 120.866 120.200 -0.142 0.000 2.058 188 E HA -0.310 4.039 4.350 -0.000 0.000 0.194 188 E C 2.238 178.778 176.600 -0.100 0.000 0.997 188 E CA 1.930 58.264 56.400 -0.110 0.000 0.801 188 E CB -0.176 29.468 29.700 -0.092 0.000 0.746 188 E HN 0.864 nan 8.360 nan 0.000 0.450 189 E N -0.096 120.049 120.200 -0.092 0.000 2.150 189 E HA -0.196 4.153 4.350 -0.000 0.000 0.193 189 E C 1.877 178.430 176.600 -0.077 0.000 0.985 189 E CA 1.019 57.375 56.400 -0.074 0.000 0.814 189 E CB -0.282 29.383 29.700 -0.060 0.000 0.752 189 E HN 0.251 nan 8.360 nan 0.000 0.466 190 N N 0.582 119.224 118.700 -0.097 0.000 2.216 190 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 190 N C 1.960 177.410 175.510 -0.099 0.000 1.017 190 N CA 0.885 53.877 53.050 -0.097 0.000 0.861 190 N CB -0.078 38.339 38.487 -0.117 0.000 0.986 190 N HN 0.189 nan 8.380 nan 0.000 0.428 191 L N 2.177 123.336 121.223 -0.106 0.000 2.056 191 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 191 L C 1.930 178.754 176.870 -0.077 0.000 1.078 191 L CA 1.705 56.485 54.840 -0.101 0.000 0.749 191 L CB -0.334 41.669 42.059 -0.094 0.000 0.901 191 L HN -0.064 nan 8.230 nan 0.000 0.433 192 K N -1.070 119.287 120.400 -0.071 0.000 2.147 192 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 192 K C 2.005 178.579 176.600 -0.043 0.000 1.049 192 K CA 1.394 57.649 56.287 -0.054 0.000 0.936 192 K CB -0.134 32.331 32.500 -0.058 0.000 0.722 192 K HN 0.295 nan 8.250 nan 0.000 0.446 193 S N 0.655 116.326 115.700 -0.049 0.000 2.428 193 S HA -0.039 4.430 4.470 -0.000 0.000 0.230 193 S C 1.994 176.568 174.600 -0.043 0.000 1.014 193 S CA 0.892 59.068 58.200 -0.040 0.000 0.957 193 S CB 0.040 63.216 63.200 -0.041 0.000 0.784 193 S HN 0.398 nan 8.310 nan 0.000 0.499 194 A N 0.396 123.178 122.820 -0.062 0.000 1.968 194 A HA 0.272 4.592 4.320 -0.000 0.000 0.217 194 A C 1.121 178.671 177.584 -0.056 0.000 1.169 194 A CA 0.890 52.880 52.037 -0.079 0.000 0.638 194 A CB -0.026 18.896 19.000 -0.130 0.000 0.812 194 A HN 0.396 nan 8.150 nan 0.000 0.446 195 S N -2.271 113.412 115.700 -0.028 0.000 2.558 195 S HA 0.363 4.833 4.470 -0.000 0.000 0.277 195 S C 0.294 174.917 174.600 0.039 0.000 1.143 195 S CA -0.046 58.170 58.200 0.026 0.000 0.865 195 S CB 0.479 63.731 63.200 0.086 0.000 1.102 195 S HN 0.773 nan 8.310 nan 0.000 0.454 196 I N 0.725 121.321 120.570 0.045 0.000 3.428 196 I HA 0.392 4.561 4.170 -0.000 0.000 0.286 196 I C 0.775 176.919 176.117 0.046 0.000 1.287 196 I CA 0.282 61.601 61.300 0.031 0.000 1.396 196 I CB -0.186 37.828 38.000 0.022 0.000 1.062 196 I HN 0.394 nan 8.210 nan 0.000 0.471 197 K N 3.150 123.601 120.400 0.086 0.000 3.226 197 K HA 0.200 4.519 4.320 -0.000 0.000 0.268 197 K C -0.246 176.422 176.600 0.113 0.000 1.217 197 K CA -0.031 56.302 56.287 0.078 0.000 1.242 197 K CB -0.144 32.393 32.500 0.062 0.000 1.389 197 K HN 0.515 nan 8.250 nan 0.000 0.406 198 T N -3.071 111.532 114.554 0.082 0.000 2.896 198 T HA 0.441 4.791 4.350 -0.000 0.000 0.297 198 T C -0.970 173.712 174.700 -0.029 0.000 1.108 198 T CA -1.058 61.084 62.100 0.070 0.000 1.004 198 T CB 2.494 71.396 68.868 0.057 0.000 1.159 198 T HN -0.160 nan 8.240 nan 0.000 0.499 199 D N 0.464 120.805 120.400 -0.098 0.000 2.934 199 D HA 0.604 5.244 4.640 -0.000 0.000 0.230 199 D C -1.178 174.796 176.300 -0.544 0.000 1.204 199 D CA -0.279 53.509 54.000 -0.352 0.000 0.873 199 D CB 2.511 43.126 40.800 -0.309 0.000 1.645 199 D HN 0.517 nan 8.370 nan 0.000 0.502 200 V N 2.376 121.841 119.914 -0.747 0.000 2.638 200 V HA 0.535 4.654 4.120 -0.000 0.000 0.306 200 V C -1.006 174.585 176.094 -0.838 0.000 1.052 200 V CA -0.737 61.213 62.300 -0.584 0.000 0.885 200 V CB 1.709 33.364 31.823 -0.279 0.000 0.999 200 V HN 0.357 nan 8.190 nan 0.000 0.424 201 F N 4.324 124.206 119.950 -0.114 0.000 2.500 201 F HA 0.563 5.090 4.527 -0.000 0.000 0.349 201 F C 0.156 175.893 175.800 -0.104 0.000 1.127 201 F CA -0.600 57.327 58.000 -0.121 0.000 0.998 201 F CB 1.392 40.292 39.000 -0.167 0.000 1.237 201 F HN 0.262 nan 8.300 nan 0.000 0.439 202 I N 5.172 125.773 120.570 0.052 0.000 2.243 202 I HA 0.196 4.366 4.170 -0.000 0.000 0.297 202 I C 0.160 176.288 176.117 0.019 0.000 1.161 202 I CA -0.499 60.828 61.300 0.044 0.000 1.298 202 I CB -0.191 37.832 38.000 0.039 0.000 1.475 202 I HN 0.351 nan 8.210 nan 0.000 0.561 203 R N 6.953 127.420 120.500 -0.055 0.000 2.449 203 R HA 0.225 4.564 4.340 -0.000 0.000 0.296 203 R C -2.261 174.077 176.300 0.063 0.000 1.047 203 R CA -1.386 54.600 56.100 -0.189 0.000 1.018 203 R CB 0.015 29.880 30.300 -0.726 0.000 0.962 203 R HN 0.299 nan 8.270 nan 0.000 0.428 204 P HA 0.124 nan 4.420 nan 0.000 0.279 204 P C 0.225 177.639 177.300 0.189 0.000 1.276 204 P CA -0.571 62.613 63.100 0.139 0.000 0.801 204 P CB 1.009 32.774 31.700 0.109 0.000 1.127 205 K N 0.562 121.031 120.400 0.116 0.000 2.113 205 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 205 K C 2.008 178.657 176.600 0.081 0.000 1.047 205 K CA 2.355 58.683 56.287 0.069 0.000 0.928 205 K CB -0.490 32.017 32.500 0.011 0.000 0.716 205 K HN 0.486 nan 8.250 nan 0.000 0.446 206 S N -0.379 115.378 115.700 0.095 0.000 2.382 206 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 206 S C 1.782 176.446 174.600 0.107 0.000 1.027 206 S CA 0.977 59.223 58.200 0.077 0.000 0.991 206 S CB -0.773 62.472 63.200 0.075 0.000 0.823 206 S HN 0.636 nan 8.310 nan 0.000 0.469 207 W N 2.158 123.443 121.300 -0.024 0.000 2.409 207 W HA 0.169 4.829 4.660 -0.000 0.000 0.299 207 W C 1.763 178.231 176.519 -0.085 0.000 1.203 207 W CA 0.810 58.126 57.345 -0.048 0.000 1.298 207 W CB -0.251 29.192 29.460 -0.030 0.000 1.127 207 W HN 0.212 nan 8.180 nan 0.000 0.528 208 I N 0.790 121.517 120.570 0.262 0.000 2.208 208 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 208 I C 2.142 178.181 176.117 -0.131 0.000 1.097 208 I CA 1.844 63.191 61.300 0.080 0.000 1.363 208 I CB -0.610 37.479 38.000 0.148 0.000 1.051 208 I HN 0.057 nan 8.210 nan 0.000 0.413 209 E N 0.613 120.758 120.200 -0.093 0.000 2.072 209 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 209 E C 2.080 178.579 176.600 -0.168 0.000 0.985 209 E CA 1.053 57.387 56.400 -0.110 0.000 0.801 209 E CB -0.060 29.600 29.700 -0.066 0.000 0.750 209 E HN 0.505 nan 8.360 nan 0.000 0.452 210 E N 0.577 120.643 120.200 -0.222 0.000 2.110 210 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 210 E C 1.827 178.197 176.600 -0.384 0.000 0.988 210 E CA 0.654 56.890 56.400 -0.274 0.000 0.804 210 E CB 0.107 29.631 29.700 -0.294 0.000 0.745 210 E HN 0.151 nan 8.360 nan 0.000 0.458 211 Q N 0.355 119.805 119.800 -0.582 0.000 2.482 211 Q HA -0.052 4.288 4.340 -0.000 0.000 0.209 211 Q C -0.360 175.436 176.000 -0.339 0.000 0.961 211 Q CA 0.358 55.788 55.803 -0.622 0.000 0.945 211 Q CB 0.170 28.244 28.738 -1.107 0.000 1.012 211 Q HN 0.341 nan 8.270 nan 0.000 0.515 212 E N -0.106 119.952 120.200 -0.236 0.000 2.440 212 E HA -0.220 4.129 4.350 -0.000 0.000 0.246 212 E C -0.540 176.006 176.600 -0.089 0.000 1.165 212 E CA 0.244 56.564 56.400 -0.134 0.000 0.726 212 E CB -1.490 28.147 29.700 -0.106 0.000 1.271 212 E HN 0.399 nan 8.360 nan 0.000 0.397 213 M N 0.234 119.783 119.600 -0.085 0.000 3.586 213 M HA 0.116 4.596 4.480 -0.000 0.000 0.225 213 M C 1.698 178.024 176.300 0.044 0.000 1.428 213 M CA 0.251 55.560 55.300 0.014 0.000 1.613 213 M CB 0.283 32.945 32.600 0.103 0.000 1.063 213 M HN 0.305 nan 8.290 nan 0.000 0.593 214 G N 0.048 108.858 108.800 0.017 0.000 2.432 214 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 214 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 214 G C 1.597 176.524 174.900 0.044 0.000 1.135 214 G CA 1.057 46.166 45.100 0.015 0.000 0.767 214 G HN 0.535 nan 8.290 nan 0.000 0.550 215 S N -0.369 115.373 115.700 0.070 0.000 2.345 215 S HA -0.103 4.367 4.470 -0.000 0.000 0.220 215 S C 2.042 176.734 174.600 0.154 0.000 1.031 215 S CA 1.213 59.463 58.200 0.082 0.000 0.996 215 S CB -0.421 62.803 63.200 0.039 0.000 0.882 215 S HN 0.305 nan 8.310 nan 0.000 0.445 216 F N 2.501 122.459 119.950 0.013 0.000 2.095 216 F HA -0.029 4.498 4.527 -0.001 0.000 0.298 216 F C 1.841 177.663 175.800 0.037 0.000 1.104 216 F CA 1.357 59.381 58.000 0.041 0.000 1.232 216 F CB -1.118 37.944 39.000 0.104 0.000 0.987 216 F HN 0.210 nan 8.300 nan 0.000 0.475 217 L N 0.284 121.462 121.223 -0.075 0.000 2.079 217 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 217 L C 2.803 179.620 176.870 -0.088 0.000 1.081 217 L CA 1.709 56.427 54.840 -0.203 0.000 0.752 217 L CB -1.055 40.923 42.059 -0.136 0.000 0.896 217 L HN 0.347 nan 8.230 nan 0.000 0.433 218 S N -0.834 114.858 115.700 -0.013 0.000 2.383 218 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 218 S C 1.875 176.481 174.600 0.010 0.000 1.030 218 S CA 1.335 59.536 58.200 0.001 0.000 1.002 218 S CB -0.737 62.474 63.200 0.020 0.000 0.829 218 S HN 0.190 nan 8.310 nan 0.000 0.467 219 V N 2.431 122.369 119.914 0.040 0.000 2.323 219 V HA -0.004 4.115 4.120 -0.000 0.000 0.244 219 V C 3.187 179.301 176.094 0.033 0.000 1.041 219 V CA 1.518 63.850 62.300 0.054 0.000 1.025 219 V CB -1.503 30.390 31.823 0.116 0.000 0.656 219 V HN 0.663 nan 8.190 nan 0.000 0.451 220 A N 1.282 124.101 122.820 -0.002 0.000 1.933 220 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 220 A C 2.250 179.813 177.584 -0.035 0.000 1.175 220 A CA 2.119 54.133 52.037 -0.040 0.000 0.628 220 A CB -0.550 18.336 19.000 -0.190 0.000 0.814 220 A HN 0.736 nan 8.150 nan 0.000 0.444 221 K N -0.568 119.805 120.400 -0.044 0.000 2.211 221 K HA -0.080 4.239 4.320 -0.000 0.000 0.204 221 K C 1.742 178.337 176.600 -0.008 0.000 1.047 221 K CA 1.570 57.839 56.287 -0.029 0.000 0.935 221 K CB -0.841 31.640 32.500 -0.031 0.000 0.728 221 K HN 0.262 nan 8.250 nan 0.000 0.452 222 G N 0.907 109.708 108.800 0.003 0.000 2.470 222 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 222 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 222 G C 0.526 175.437 174.900 0.019 0.000 1.121 222 G CA 0.507 45.615 45.100 0.012 0.000 0.766 222 G HN 0.407 nan 8.290 nan 0.000 0.553 223 S N -1.100 114.612 115.700 0.021 0.000 2.638 223 S HA 0.392 4.861 4.470 -0.000 0.000 0.298 223 S C 0.937 175.547 174.600 0.017 0.000 1.111 223 S CA -0.580 57.637 58.200 0.028 0.000 1.027 223 S CB 1.571 64.798 63.200 0.045 0.000 1.064 223 S HN 0.137 nan 8.310 nan 0.000 0.525 224 E N 0.876 121.086 120.200 0.018 0.000 2.371 224 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 224 E C -0.074 176.536 176.600 0.017 0.000 1.012 224 E CA 0.255 56.663 56.400 0.013 0.000 0.860 224 E CB 0.063 29.770 29.700 0.012 0.000 0.811 224 E HN 0.610 nan 8.360 nan 0.000 0.502 225 E N 2.116 122.331 120.200 0.025 0.000 2.299 225 E HA 0.067 4.417 4.350 -0.000 0.000 0.272 225 E C -2.493 174.125 176.600 0.030 0.000 1.043 225 E CA -2.125 54.295 56.400 0.032 0.000 0.895 225 E CB 0.703 30.429 29.700 0.044 0.000 1.011 225 E HN -0.180 nan 8.360 nan 0.000 0.432 226 P HA 0.097 nan 4.420 nan 0.000 0.265 226 P C -2.479 174.846 177.300 0.042 0.000 1.193 226 P CA -0.797 62.320 63.100 0.028 0.000 0.765 226 P CB 0.363 32.084 31.700 0.035 0.000 0.823 227 P HA 0.237 nan 4.420 nan 0.000 0.282 227 P C -1.110 176.263 177.300 0.121 0.000 1.259 227 P CA -0.304 62.828 63.100 0.052 0.000 0.826 227 P CB 1.229 32.846 31.700 -0.138 0.000 1.064 228 V N -1.768 118.289 119.914 0.239 0.000 3.114 228 V HA 0.632 4.752 4.120 -0.000 0.000 0.308 228 V C -1.455 174.879 176.094 0.400 0.000 1.168 228 V CA -0.994 61.461 62.300 0.259 0.000 1.015 228 V CB 2.186 34.108 31.823 0.166 0.000 1.050 228 V HN 0.400 nan 8.190 nan 0.000 0.433 229 F N 3.955 124.036 119.950 0.219 0.000 2.366 229 F HA 0.732 5.259 4.527 -0.000 0.000 0.366 229 F C -0.571 175.252 175.800 0.039 0.000 1.096 229 F CA -1.005 57.107 58.000 0.186 0.000 1.060 229 F CB 1.499 40.660 39.000 0.267 0.000 1.282 229 F HN 0.720 nan 8.300 nan 0.000 0.450 230 L N 5.935 127.126 121.223 -0.053 0.000 2.360 230 L HA 0.338 4.678 4.340 -0.000 0.000 0.276 230 L C -0.435 176.492 176.870 0.095 0.000 1.121 230 L CA 0.365 55.230 54.840 0.042 0.000 0.845 230 L CB 0.641 42.740 42.059 0.068 0.000 1.143 230 L HN 0.706 nan 8.230 nan 0.000 0.452 231 E N 6.383 126.707 120.200 0.207 0.000 2.218 231 E HA 0.510 4.860 4.350 -0.000 0.000 0.263 231 E C -1.330 175.400 176.600 0.215 0.000 0.879 231 E CA -0.685 55.909 56.400 0.323 0.000 0.762 231 E CB 1.145 31.136 29.700 0.486 0.000 1.166 231 E HN 0.683 nan 8.360 nan 0.000 0.415 232 I N 1.074 121.764 120.570 0.200 0.000 2.569 232 I HA 0.564 4.734 4.170 -0.000 0.000 0.296 232 I C -1.123 175.173 176.117 0.298 0.000 1.028 232 I CA -0.917 60.452 61.300 0.116 0.000 1.082 232 I CB 1.937 39.964 38.000 0.045 0.000 1.264 232 I HN 0.544 nan 8.210 nan 0.000 0.429 233 H N 4.523 123.628 119.070 0.058 0.000 2.529 233 H HA 0.383 4.938 4.556 -0.000 0.000 0.348 233 H C -1.816 173.565 175.328 0.088 0.000 1.079 233 H CA -0.739 55.347 56.048 0.064 0.000 1.198 233 H CB 2.615 32.447 29.762 0.117 0.000 1.521 233 H HN 0.678 nan 8.280 nan 0.000 0.514 234 Y N 2.941 123.279 120.300 0.065 0.000 2.338 234 Y HA 0.261 4.811 4.550 -0.000 0.000 0.328 234 Y C -0.922 174.985 175.900 0.011 0.000 0.965 234 Y CA -1.560 56.546 58.100 0.010 0.000 1.208 234 Y CB 0.793 39.227 38.460 -0.043 0.000 1.132 234 Y HN 0.442 nan 8.280 nan 0.000 0.469 235 K N 4.662 124.788 120.400 -0.457 0.000 2.363 235 K HA 0.356 4.676 4.320 -0.000 0.000 0.240 235 K C 1.041 177.249 176.600 -0.654 0.000 1.169 235 K CA 0.201 56.232 56.287 -0.426 0.000 1.131 235 K CB 0.512 32.922 32.500 -0.150 0.000 1.771 235 K HN 0.913 nan 8.250 nan 0.000 0.380 236 G N 0.065 108.248 108.800 -1.028 0.000 2.683 236 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.213 236 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.213 236 G C 0.527 175.294 174.900 -0.221 0.000 1.142 236 G CA -0.158 44.548 45.100 -0.656 0.000 0.793 236 G HN 0.477 nan 8.290 nan 0.000 0.534 237 S N 0.617 116.209 115.700 -0.180 0.000 2.572 237 S HA 0.282 4.752 4.470 -0.000 0.000 0.279 237 S C -0.934 173.633 174.600 -0.055 0.000 1.341 237 S CA -0.964 57.193 58.200 -0.072 0.000 1.043 237 S CB 1.506 64.680 63.200 -0.043 0.000 0.887 237 S HN -0.032 nan 8.310 nan 0.000 0.516 238 P HA 0.008 nan 4.420 nan 0.000 0.221 238 P C -0.226 177.066 177.300 -0.014 0.000 1.150 238 P CA 0.687 63.777 63.100 -0.016 0.000 0.800 238 P CB 0.034 31.730 31.700 -0.007 0.000 0.787 239 N N -0.266 118.426 118.700 -0.013 0.000 2.439 239 N HA 0.288 5.028 4.740 -0.000 0.000 0.249 239 N C 0.875 176.379 175.510 -0.010 0.000 1.003 239 N CA -0.261 52.785 53.050 -0.007 0.000 0.942 239 N CB 0.659 39.147 38.487 -0.000 0.000 1.115 239 N HN -0.200 nan 8.380 nan 0.000 0.505 240 A N 2.644 125.460 122.820 -0.007 0.000 2.024 240 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 240 A C 1.759 179.346 177.584 0.004 0.000 1.164 240 A CA 1.415 53.448 52.037 -0.006 0.000 0.643 240 A CB -0.301 18.702 19.000 0.005 0.000 0.806 240 A HN 0.636 nan 8.150 nan 0.000 0.451 241 S N -0.523 115.183 115.700 0.009 0.000 2.593 241 S HA 0.073 4.542 4.470 -0.000 0.000 0.217 241 S C 0.601 175.212 174.600 0.020 0.000 0.966 241 S CA -0.010 58.199 58.200 0.016 0.000 0.914 241 S CB -0.109 63.100 63.200 0.016 0.000 0.776 241 S HN 0.631 nan 8.310 nan 0.000 0.523 242 E N 3.055 123.264 120.200 0.015 0.000 2.417 242 E HA 0.106 4.456 4.350 -0.000 0.000 0.261 242 E C -2.692 173.929 176.600 0.035 0.000 1.000 242 E CA -1.952 54.463 56.400 0.026 0.000 0.919 242 E CB 0.233 29.946 29.700 0.022 0.000 0.955 242 E HN 0.045 nan 8.360 nan 0.000 0.455 243 P HA 0.043 nan 4.420 nan 0.000 0.265 243 P C -2.459 174.877 177.300 0.060 0.000 1.193 243 P CA -0.674 62.467 63.100 0.067 0.000 0.765 243 P CB 0.338 32.090 31.700 0.088 0.000 0.823 244 P HA 0.244 nan 4.420 nan 0.000 0.278 244 P C -1.014 176.279 177.300 -0.012 0.000 1.266 244 P CA -0.329 62.764 63.100 -0.011 0.000 0.807 244 P CB 0.778 32.433 31.700 -0.074 0.000 1.094 245 L N 0.657 121.846 121.223 -0.057 0.000 2.307 245 L HA 0.367 4.706 4.340 -0.000 0.000 0.282 245 L C 0.149 177.000 176.870 -0.032 0.000 1.051 245 L CA -0.431 54.384 54.840 -0.043 0.000 0.804 245 L CB 1.371 43.362 42.059 -0.113 0.000 1.197 245 L HN 0.099 nan 8.230 nan 0.000 0.431 246 V N 3.483 123.433 119.914 0.059 0.000 2.495 246 V HA 0.485 4.604 4.120 -0.000 0.000 0.298 246 V C -0.645 175.662 176.094 0.355 0.000 1.031 246 V CA -0.551 61.788 62.300 0.065 0.000 0.871 246 V CB 1.528 33.329 31.823 -0.037 0.000 0.988 246 V HN 0.336 nan 8.190 nan 0.000 0.432 247 F N 3.489 123.417 119.950 -0.037 0.000 2.480 247 F HA 0.746 5.273 4.527 -0.001 0.000 0.329 247 F C 0.032 175.842 175.800 0.016 0.000 1.091 247 F CA -1.240 56.758 58.000 -0.003 0.000 0.972 247 F CB 2.124 41.122 39.000 -0.004 0.000 1.150 247 F HN 0.140 nan 8.300 nan 0.000 0.467 248 V N 1.672 121.680 119.914 0.157 0.000 2.656 248 V HA 0.866 4.986 4.120 -0.000 0.000 0.307 248 V C -0.116 176.009 176.094 0.051 0.000 1.051 248 V CA -0.831 61.534 62.300 0.108 0.000 0.893 248 V CB 1.890 33.795 31.823 0.136 0.000 0.999 248 V HN 0.879 nan 8.190 nan 0.000 0.426 249 G N 2.338 111.137 108.800 -0.001 0.000 2.617 249 G HA2 0.528 4.488 3.960 -0.000 0.000 0.306 249 G HA3 0.528 4.488 3.960 -0.000 0.000 0.306 249 G C -1.015 173.818 174.900 -0.112 0.000 1.360 249 G CA -0.777 44.303 45.100 -0.034 0.000 0.983 249 G HN 0.680 nan 8.290 nan 0.000 0.496 250 K N 1.259 121.601 120.400 -0.096 0.000 2.378 250 K HA 0.347 4.667 4.320 -0.000 0.000 0.288 250 K C 0.659 177.141 176.600 -0.195 0.000 1.057 250 K CA -0.092 56.111 56.287 -0.139 0.000 0.971 250 K CB 0.387 32.835 32.500 -0.086 0.000 0.975 250 K HN 0.455 nan 8.250 nan 0.000 0.475 251 G N 6.408 115.051 108.800 -0.262 0.000 4.699 251 G HA2 0.225 4.185 3.960 -0.000 0.000 0.308 251 G HA3 0.225 4.185 3.960 -0.000 0.000 0.308 251 G C -0.182 174.581 174.900 -0.228 0.000 1.399 251 G CA -0.513 44.387 45.100 -0.333 0.000 1.221 251 G HN 0.550 nan 8.290 nan 0.000 0.596 252 I N 3.064 123.538 120.570 -0.161 0.000 2.329 252 I HA 0.050 4.220 4.170 -0.000 0.000 0.295 252 I C 1.976 178.037 176.117 -0.095 0.000 1.109 252 I CA 0.092 61.334 61.300 -0.097 0.000 1.297 252 I CB 0.315 38.257 38.000 -0.097 0.000 1.433 252 I HN 0.334 nan 8.210 nan 0.000 0.509 253 T N 3.394 117.919 114.554 -0.049 0.000 2.881 253 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 253 T C 0.341 175.110 174.700 0.116 0.000 1.068 253 T CA 0.915 63.017 62.100 0.003 0.000 1.131 253 T CB -0.007 68.877 68.868 0.028 0.000 0.871 253 T HN 0.321 nan 8.240 nan 0.000 0.479 254 F N 0.770 120.706 119.950 -0.023 0.000 2.622 254 F HA 0.483 5.010 4.527 -0.000 0.000 0.318 254 F C -2.271 173.523 175.800 -0.011 0.000 1.135 254 F CA -1.639 56.353 58.000 -0.013 0.000 1.015 254 F CB 1.998 40.997 39.000 -0.003 0.000 1.275 254 F HN -0.123 nan 8.300 nan 0.000 0.457 255 D N 2.546 122.345 120.400 -1.002 0.000 2.453 255 D HA 0.260 4.900 4.640 -0.000 0.000 0.238 255 D C 0.362 176.245 176.300 -0.694 0.000 1.088 255 D CA 0.045 53.688 54.000 -0.595 0.000 0.854 255 D CB 1.600 42.171 40.800 -0.381 0.000 1.076 255 D HN 0.444 nan 8.370 nan 0.000 0.533 256 S N 2.077 117.643 115.700 -0.222 0.000 2.524 256 S HA 0.292 4.762 4.470 -0.000 0.000 0.216 256 S C 1.646 176.236 174.600 -0.017 0.000 0.987 256 S CA 0.604 58.824 58.200 0.035 0.000 0.909 256 S CB 0.283 63.626 63.200 0.237 0.000 0.781 256 S HN 0.767 nan 8.310 nan 0.000 0.521 257 G N 0.554 109.317 108.800 -0.062 0.000 2.258 257 G HA2 0.153 4.113 3.960 -0.000 0.000 0.233 257 G HA3 0.153 4.113 3.960 -0.000 0.000 0.233 257 G C 1.210 176.098 174.900 -0.020 0.000 1.006 257 G CA 0.282 45.354 45.100 -0.046 0.000 0.620 257 G HN 1.832 nan 8.290 nan 0.000 0.511 258 G N 0.226 109.029 108.800 0.005 0.000 2.512 258 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.240 258 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.240 258 G C 0.872 175.780 174.900 0.014 0.000 1.246 258 G CA 0.398 45.506 45.100 0.014 0.000 0.919 258 G HN 0.960 nan 8.290 nan 0.000 0.577 259 I N 1.331 121.906 120.570 0.009 0.000 2.264 259 I HA -0.063 4.107 4.170 -0.000 0.000 0.248 259 I C 2.187 178.307 176.117 0.005 0.000 1.111 259 I CA 2.071 63.376 61.300 0.008 0.000 1.382 259 I CB -1.295 36.708 38.000 0.006 0.000 1.060 259 I HN 0.331 nan 8.210 nan 0.000 0.418 260 S N 1.813 117.512 115.700 -0.001 0.000 3.983 260 S HA 0.231 4.701 4.470 -0.000 0.000 0.194 260 S C 0.588 175.186 174.600 -0.005 0.000 1.464 260 S CA -0.269 57.928 58.200 -0.005 0.000 1.021 260 S CB -0.777 62.415 63.200 -0.014 0.000 1.424 260 S HN 0.196 nan 8.310 nan 0.000 0.473 261 I N 2.364 122.937 120.570 0.005 0.000 2.815 261 I HA -0.030 4.140 4.170 -0.000 0.000 0.291 261 I C 0.555 176.677 176.117 0.008 0.000 1.209 261 I CA 0.166 61.473 61.300 0.012 0.000 1.431 261 I CB 0.461 38.475 38.000 0.023 0.000 1.351 261 I HN 0.289 nan 8.210 nan 0.000 0.585 262 K N 5.663 126.068 120.400 0.008 0.000 2.138 262 K HA 0.432 4.752 4.320 -0.000 0.000 0.251 262 K C -0.028 176.583 176.600 0.018 0.000 1.015 262 K CA -0.603 55.686 56.287 0.003 0.000 0.917 262 K CB 0.629 33.123 32.500 -0.010 0.000 1.021 262 K HN 0.700 nan 8.250 nan 0.000 0.485 263 A N 0.732 123.560 122.820 0.014 0.000 2.366 263 A HA 0.334 4.654 4.320 -0.000 0.000 0.249 263 A C 1.026 178.628 177.584 0.030 0.000 1.084 263 A CA 0.465 52.513 52.037 0.019 0.000 0.794 263 A CB 0.438 19.445 19.000 0.013 0.000 1.034 263 A HN 0.846 nan 8.150 nan 0.000 0.491 264 A N 1.183 124.021 122.820 0.031 0.000 1.929 264 A HA 0.395 4.714 4.320 -0.000 0.000 0.216 264 A C 1.576 179.184 177.584 0.040 0.000 1.176 264 A CA 1.177 53.238 52.037 0.040 0.000 0.628 264 A CB -1.040 17.980 19.000 0.032 0.000 0.816 264 A HN 2.036 nan 8.150 nan 0.000 0.444 265 A N 0.164 123.001 122.820 0.029 0.000 2.553 265 A HA 0.313 4.633 4.320 -0.000 0.000 0.258 265 A C 0.633 178.235 177.584 0.030 0.000 1.069 265 A CA 0.609 52.662 52.037 0.026 0.000 0.767 265 A CB -1.094 17.917 19.000 0.018 0.000 0.997 265 A HN 0.739 nan 8.150 nan 0.000 0.512 266 N N 0.776 119.497 118.700 0.035 0.000 2.708 266 N HA -0.233 4.506 4.740 -0.000 0.000 0.251 266 N C 0.707 176.249 175.510 0.054 0.000 1.123 266 N CA 0.980 54.054 53.050 0.040 0.000 0.739 266 N CB -1.176 37.327 38.487 0.026 0.000 1.113 266 N HN 0.814 nan 8.380 nan 0.000 0.561 267 M N 0.645 120.290 119.600 0.075 0.000 2.460 267 M HA -0.142 4.337 4.480 -0.000 0.000 0.263 267 M C 1.674 178.092 176.300 0.196 0.000 1.071 267 M CA 1.818 57.183 55.300 0.109 0.000 1.096 267 M CB -0.107 32.582 32.600 0.148 0.000 1.408 267 M HN 0.307 nan 8.290 nan 0.000 0.463 268 D N 0.459 120.963 120.400 0.172 0.000 2.221 268 D HA -0.227 4.413 4.640 -0.000 0.000 0.204 268 D C 1.642 178.055 176.300 0.188 0.000 0.982 268 D CA 1.134 55.255 54.000 0.203 0.000 0.857 268 D CB -0.781 40.085 40.800 0.110 0.000 0.934 268 D HN 0.441 nan 8.370 nan 0.000 0.475 269 L N -0.262 121.024 121.223 0.105 0.000 2.353 269 L HA -0.072 4.268 4.340 -0.000 0.000 0.220 269 L C 2.344 179.230 176.870 0.027 0.000 1.133 269 L CA 0.316 55.191 54.840 0.059 0.000 0.798 269 L CB -0.372 41.703 42.059 0.027 0.000 0.922 269 L HN -0.009 nan 8.230 nan 0.000 0.445 270 M N 0.090 119.686 119.600 -0.006 0.000 2.686 270 M HA -0.089 4.390 4.480 -0.000 0.000 0.246 270 M C 2.142 178.354 176.300 -0.146 0.000 1.096 270 M CA 1.073 56.247 55.300 -0.211 0.000 1.076 270 M CB -0.889 31.380 32.600 -0.553 0.000 1.504 270 M HN 0.397 nan 8.290 nan 0.000 0.524 271 R N 0.048 120.641 120.500 0.154 0.000 2.237 271 R HA 0.092 4.432 4.340 -0.000 0.000 0.219 271 R C 1.356 177.696 176.300 0.068 0.000 1.080 271 R CA 1.294 57.535 56.100 0.235 0.000 0.995 271 R CB -0.486 29.944 30.300 0.216 0.000 0.875 271 R HN 0.198 nan 8.270 nan 0.000 0.462 272 A N 1.064 123.892 122.820 0.013 0.000 2.415 272 A HA 0.063 4.383 4.320 -0.000 0.000 0.248 272 A C 0.631 178.185 177.584 -0.050 0.000 1.299 272 A CA -0.057 51.971 52.037 -0.014 0.000 0.899 272 A CB 0.065 19.061 19.000 -0.007 0.000 0.997 272 A HN 0.204 nan 8.150 nan 0.000 0.506 273 D N 0.102 120.451 120.400 -0.085 0.000 2.378 273 D HA -0.035 4.604 4.640 -0.000 0.000 0.227 273 D C 1.221 177.452 176.300 -0.114 0.000 1.012 273 D CA 0.765 54.697 54.000 -0.112 0.000 0.905 273 D CB 0.049 40.750 40.800 -0.166 0.000 0.895 273 D HN 0.497 nan 8.370 nan 0.000 0.532 274 M N -3.040 116.491 119.600 -0.116 0.000 2.475 274 M HA 0.440 4.919 4.480 -0.000 0.000 0.283 274 M C 1.684 177.906 176.300 -0.130 0.000 1.165 274 M CA -0.341 54.848 55.300 -0.185 0.000 0.976 274 M CB -0.004 32.424 32.600 -0.287 0.000 1.428 274 M HN -0.173 nan 8.290 nan 0.000 0.495 275 G N 0.943 109.703 108.800 -0.067 0.000 2.450 275 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.220 275 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.220 275 G C 1.402 176.291 174.900 -0.018 0.000 1.130 275 G CA 0.741 45.826 45.100 -0.025 0.000 0.760 275 G HN 0.624 nan 8.290 nan 0.000 0.557 276 G N 1.052 109.828 108.800 -0.041 0.000 2.418 276 G HA2 0.054 4.013 3.960 -0.000 0.000 0.217 276 G HA3 0.054 4.013 3.960 -0.000 0.000 0.217 276 G C 2.032 176.923 174.900 -0.015 0.000 1.158 276 G CA 1.471 46.553 45.100 -0.029 0.000 0.771 276 G HN 0.608 nan 8.290 nan 0.000 0.545 277 A N 1.096 123.878 122.820 -0.063 0.000 1.898 277 A HA 0.335 4.655 4.320 -0.000 0.000 0.216 277 A C 2.809 180.522 177.584 0.216 0.000 1.181 277 A CA 2.105 54.128 52.037 -0.023 0.000 0.620 277 A CB -0.753 18.049 19.000 -0.330 0.000 0.819 277 A HN 0.737 nan 8.150 nan 0.000 0.442 278 A N -0.016 122.931 122.820 0.212 0.000 1.877 278 A HA -0.140 4.179 4.320 -0.000 0.000 0.216 278 A C 2.493 180.159 177.584 0.137 0.000 1.186 278 A CA 2.770 54.985 52.037 0.297 0.000 0.620 278 A CB -1.510 17.617 19.000 0.212 0.000 0.822 278 A HN 0.758 nan 8.150 nan 0.000 0.443 279 T N -0.271 114.331 114.554 0.080 0.000 2.777 279 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 279 T C 1.759 176.510 174.700 0.085 0.000 1.040 279 T CA 1.678 63.808 62.100 0.051 0.000 1.141 279 T CB -0.840 68.041 68.868 0.022 0.000 0.868 279 T HN 0.730 nan 8.240 nan 0.000 0.444 280 I N 0.008 120.650 120.570 0.120 0.000 2.439 280 I HA 0.112 4.281 4.170 -0.000 0.000 0.251 280 I C 2.494 178.724 176.117 0.189 0.000 1.139 280 I CA 0.352 61.792 61.300 0.234 0.000 1.438 280 I CB -1.195 36.957 38.000 0.253 0.000 1.085 280 I HN 0.209 nan 8.210 nan 0.000 0.427 281 C N 0.733 120.112 119.300 0.132 0.000 2.457 281 C HA -0.030 4.430 4.460 -0.000 0.000 0.278 281 C C 3.064 178.045 174.990 -0.016 0.000 1.309 281 C CA 1.315 60.371 59.018 0.063 0.000 1.735 281 C CB -1.235 26.555 27.740 0.084 0.000 1.992 281 C HN 0.623 nan 8.230 nan 0.000 0.493 282 S N 1.034 116.726 115.700 -0.013 0.000 2.383 282 S HA -0.076 4.394 4.470 -0.000 0.000 0.227 282 S C 2.162 176.714 174.600 -0.080 0.000 1.026 282 S CA 1.220 59.382 58.200 -0.065 0.000 0.981 282 S CB -0.396 62.769 63.200 -0.059 0.000 0.818 282 S HN 0.704 nan 8.310 nan 0.000 0.472 283 A N 1.529 124.333 122.820 -0.028 0.000 1.902 283 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 283 A C 2.039 179.548 177.584 -0.126 0.000 1.181 283 A CA 1.182 53.194 52.037 -0.041 0.000 0.623 283 A CB -0.673 18.403 19.000 0.125 0.000 0.818 283 A HN 0.494 nan 8.150 nan 0.000 0.443 284 I N -0.592 119.901 120.570 -0.129 0.000 2.252 284 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 284 I C 2.317 178.290 176.117 -0.240 0.000 1.102 284 I CA 0.872 62.048 61.300 -0.206 0.000 1.385 284 I CB -0.324 37.580 38.000 -0.160 0.000 1.064 284 I HN 0.140 nan 8.210 nan 0.000 0.414 285 V N 0.370 120.172 119.914 -0.187 0.000 2.287 285 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 285 V C 2.549 178.503 176.094 -0.233 0.000 1.053 285 V CA 2.314 64.495 62.300 -0.198 0.000 1.027 285 V CB -0.614 31.117 31.823 -0.154 0.000 0.646 285 V HN 0.393 nan 8.190 nan 0.000 0.447 286 S N 0.144 115.709 115.700 -0.225 0.000 2.368 286 S HA -0.163 4.306 4.470 -0.000 0.000 0.225 286 S C 2.234 176.666 174.600 -0.279 0.000 1.030 286 S CA 1.360 59.410 58.200 -0.251 0.000 0.999 286 S CB -0.557 62.461 63.200 -0.303 0.000 0.844 286 S HN 0.659 nan 8.310 nan 0.000 0.459 287 A N 1.648 124.289 122.820 -0.298 0.000 1.940 287 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 287 A C 2.344 179.643 177.584 -0.476 0.000 1.176 287 A CA 1.831 53.691 52.037 -0.294 0.000 0.631 287 A CB -1.064 17.782 19.000 -0.257 0.000 0.814 287 A HN 0.529 nan 8.150 nan 0.000 0.446 288 A N -0.398 121.995 122.820 -0.710 0.000 1.898 288 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 288 A C 2.114 179.475 177.584 -0.372 0.000 1.181 288 A CA 1.634 53.120 52.037 -0.919 0.000 0.620 288 A CB -0.382 18.184 19.000 -0.722 0.000 0.819 288 A HN 0.520 nan 8.150 nan 0.000 0.442 289 K N -0.380 119.867 120.400 -0.255 0.000 2.057 289 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 289 K C 1.651 178.197 176.600 -0.089 0.000 1.049 289 K CA 1.307 57.511 56.287 -0.138 0.000 0.931 289 K CB -0.369 32.057 32.500 -0.123 0.000 0.714 289 K HN 0.467 nan 8.250 nan 0.000 0.440 290 L N 0.536 121.699 121.223 -0.100 0.000 2.465 290 L HA -0.074 4.265 4.340 -0.000 0.000 0.224 290 L C 0.091 176.979 176.870 0.029 0.000 1.145 290 L CA 0.302 55.128 54.840 -0.023 0.000 0.834 290 L CB -0.485 41.568 42.059 -0.009 0.000 0.944 290 L HN 0.324 nan 8.230 nan 0.000 0.451 291 D N 0.491 120.897 120.400 0.010 0.000 2.689 291 D HA -0.201 4.439 4.640 -0.000 0.000 0.237 291 D C -0.053 176.369 176.300 0.204 0.000 1.148 291 D CA 0.229 54.314 54.000 0.142 0.000 0.656 291 D CB -0.844 40.026 40.800 0.117 0.000 1.050 291 D HN 0.141 nan 8.370 nan 0.000 0.426 292 L N 0.202 121.551 121.223 0.211 0.000 2.490 292 L HA 0.202 4.541 4.340 -0.000 0.000 0.274 292 L C -1.110 175.901 176.870 0.234 0.000 1.201 292 L CA -1.184 53.787 54.840 0.217 0.000 0.869 292 L CB 0.177 42.353 42.059 0.195 0.000 1.123 292 L HN 0.135 nan 8.230 nan 0.000 0.484 293 P HA 0.127 nan 4.420 nan 0.000 0.225 293 P C -0.762 176.569 177.300 0.052 0.000 1.768 293 P CA 0.319 63.461 63.100 0.069 0.000 0.943 293 P CB -0.559 31.168 31.700 0.045 0.000 1.936 294 I N -2.775 117.828 120.570 0.057 0.000 2.994 294 I HA 0.535 4.704 4.170 -0.000 0.000 0.306 294 I C -0.952 175.122 176.117 -0.072 0.000 1.195 294 I CA -1.440 59.887 61.300 0.045 0.000 1.001 294 I CB 2.117 40.198 38.000 0.135 0.000 1.244 294 I HN -0.305 nan 8.210 nan 0.000 0.437 295 N N 4.173 122.832 118.700 -0.068 0.000 2.438 295 N HA 0.688 5.428 4.740 -0.000 0.000 0.282 295 N C -1.025 174.437 175.510 -0.080 0.000 1.037 295 N CA -0.153 52.821 53.050 -0.126 0.000 0.942 295 N CB 1.863 40.297 38.487 -0.089 0.000 1.136 295 N HN 0.552 nan 8.380 nan 0.000 0.481 296 I N 0.936 121.464 120.570 -0.069 0.000 2.686 296 I HA 0.401 4.570 4.170 -0.000 0.000 0.295 296 I C -0.641 175.411 176.117 -0.108 0.000 1.114 296 I CA -1.032 60.210 61.300 -0.097 0.000 1.038 296 I CB 2.329 40.269 38.000 -0.099 0.000 1.238 296 I HN -0.056 nan 8.210 nan 0.000 0.420 297 V N 3.387 123.186 119.914 -0.190 0.000 2.540 297 V HA 0.755 4.874 4.120 -0.000 0.000 0.302 297 V C 0.213 176.236 176.094 -0.119 0.000 1.035 297 V CA -0.452 61.713 62.300 -0.225 0.000 0.873 297 V CB 1.892 33.331 31.823 -0.640 0.000 0.992 297 V HN 0.918 nan 8.190 nan 0.000 0.428 298 G N 4.433 113.229 108.800 -0.007 0.000 2.470 298 G HA2 0.741 4.701 3.960 -0.000 0.000 0.320 298 G HA3 0.741 4.701 3.960 -0.000 0.000 0.320 298 G C -1.294 173.667 174.900 0.101 0.000 1.245 298 G CA -0.523 44.612 45.100 0.060 0.000 0.935 298 G HN 0.576 nan 8.290 nan 0.000 0.476 299 L N 1.535 122.821 121.223 0.105 0.000 2.356 299 L HA 0.744 5.084 4.340 -0.000 0.000 0.277 299 L C -0.018 176.771 176.870 -0.136 0.000 0.996 299 L CA -0.988 53.902 54.840 0.083 0.000 0.822 299 L CB 2.395 44.640 42.059 0.310 0.000 1.256 299 L HN 0.636 nan 8.230 nan 0.000 0.413 300 A N 4.620 127.206 122.820 -0.389 0.000 2.651 300 A HA 0.670 4.989 4.320 -0.000 0.000 0.290 300 A C -2.746 174.432 177.584 -0.677 0.000 1.185 300 A CA -1.250 50.546 52.037 -0.401 0.000 0.746 300 A CB 0.892 19.805 19.000 -0.144 0.000 1.213 300 A HN 0.325 nan 8.150 nan 0.000 0.429 301 P HA 0.417 nan 4.420 nan 0.000 0.276 301 P C -0.908 176.090 177.300 -0.503 0.000 1.243 301 P CA 0.137 62.664 63.100 -0.955 0.000 0.768 301 P CB 1.063 31.971 31.700 -1.320 0.000 0.856 302 L N 5.118 126.290 121.223 -0.085 0.000 2.381 302 L HA 0.647 4.986 4.340 -0.000 0.000 0.274 302 L C 0.364 177.382 176.870 0.247 0.000 0.988 302 L CA -0.380 54.465 54.840 0.008 0.000 0.824 302 L CB 1.822 43.845 42.059 -0.061 0.000 1.263 302 L HN 0.670 nan 8.230 nan 0.000 0.410 303 C N -0.120 119.281 119.300 0.168 0.000 3.216 303 C HA 0.576 5.035 4.460 -0.000 0.000 0.346 303 C C -0.992 174.057 174.990 0.099 0.000 1.384 303 C CA -0.956 58.163 59.018 0.168 0.000 1.208 303 C CB 1.492 29.382 27.740 0.251 0.000 1.483 303 C HN 0.864 nan 8.230 nan 0.000 0.453 304 E N 0.818 121.073 120.200 0.092 0.000 2.232 304 E HA 0.492 4.841 4.350 -0.000 0.000 0.265 304 E C -1.076 175.570 176.600 0.076 0.000 1.001 304 E CA -0.465 55.992 56.400 0.096 0.000 0.870 304 E CB 1.299 31.073 29.700 0.123 0.000 1.175 304 E HN 0.575 nan 8.360 nan 0.000 0.407 305 N N 2.033 120.772 118.700 0.066 0.000 2.569 305 N HA 0.221 4.960 4.740 -0.000 0.000 0.254 305 N C -1.532 174.021 175.510 0.071 0.000 1.004 305 N CA -0.229 52.844 53.050 0.039 0.000 0.904 305 N CB 0.483 38.962 38.487 -0.013 0.000 1.165 305 N HN 0.353 nan 8.380 nan 0.000 0.513 306 M N 2.641 122.284 119.600 0.072 0.000 2.644 306 M HA 0.563 5.042 4.480 -0.000 0.000 0.304 306 M C -2.549 173.782 176.300 0.051 0.000 1.215 306 M CA -2.040 53.310 55.300 0.083 0.000 0.871 306 M CB 1.981 34.631 32.600 0.084 0.000 1.740 306 M HN 0.289 nan 8.290 nan 0.000 0.464 307 P HA 0.492 nan 4.420 nan 0.000 0.292 307 P C -1.068 176.248 177.300 0.026 0.000 1.283 307 P CA -0.164 62.956 63.100 0.032 0.000 0.835 307 P CB 1.521 33.241 31.700 0.033 0.000 1.017 308 S N 0.350 116.061 115.700 0.018 0.000 2.669 308 S HA 0.445 4.915 4.470 -0.000 0.000 0.266 308 S C 0.881 175.487 174.600 0.010 0.000 1.149 308 S CA -0.199 58.009 58.200 0.014 0.000 0.842 308 S CB 0.195 63.403 63.200 0.014 0.000 1.160 308 S HN 0.389 nan 8.310 nan 0.000 0.487 309 G N -0.109 108.695 108.800 0.008 0.000 2.848 309 G HA2 0.163 4.123 3.960 -0.000 0.000 0.208 309 G HA3 0.163 4.123 3.960 -0.000 0.000 0.208 309 G C 0.638 175.541 174.900 0.004 0.000 1.152 309 G CA 0.153 45.256 45.100 0.005 0.000 0.789 309 G HN 0.667 nan 8.290 nan 0.000 0.531 310 K N -0.373 120.030 120.400 0.004 0.000 2.438 310 K HA 0.406 4.726 4.320 -0.000 0.000 0.206 310 K C 1.091 177.692 176.600 0.002 0.000 1.081 310 K CA -0.138 56.150 56.287 0.001 0.000 1.053 310 K CB 1.246 33.746 32.500 -0.001 0.000 0.908 310 K HN 0.198 nan 8.250 nan 0.000 0.556 311 A N 1.709 124.532 122.820 0.005 0.000 2.386 311 A HA 0.090 4.409 4.320 -0.000 0.000 0.246 311 A C -0.205 177.382 177.584 0.005 0.000 1.089 311 A CA -0.164 51.877 52.037 0.007 0.000 0.790 311 A CB -0.078 18.929 19.000 0.012 0.000 1.042 311 A HN 0.337 nan 8.150 nan 0.000 0.497 312 N N 0.022 118.725 118.700 0.005 0.000 2.412 312 N HA 0.123 4.863 4.740 -0.000 0.000 0.254 312 N C -0.492 175.020 175.510 0.004 0.000 1.232 312 N CA 0.669 53.722 53.050 0.005 0.000 0.880 312 N CB 0.264 38.753 38.487 0.004 0.000 1.076 312 N HN 0.504 nan 8.380 nan 0.000 0.458 313 K N 3.058 123.460 120.400 0.004 0.000 2.270 313 K HA 0.377 4.697 4.320 -0.000 0.000 0.255 313 K C -2.570 174.033 176.600 0.004 0.000 0.936 313 K CA -1.806 54.484 56.287 0.004 0.000 0.809 313 K CB 1.855 34.357 32.500 0.005 0.000 1.131 313 K HN 0.286 nan 8.250 nan 0.000 0.427 314 P HA -0.089 nan 4.420 nan 0.000 0.262 314 P C 0.629 177.932 177.300 0.005 0.000 1.182 314 P CA 1.149 64.250 63.100 0.001 0.000 0.761 314 P CB 0.559 32.259 31.700 0.000 0.000 0.795 315 G N 2.090 110.894 108.800 0.007 0.000 2.234 315 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.235 315 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.235 315 G C 0.046 174.954 174.900 0.014 0.000 0.997 315 G CA -0.308 44.798 45.100 0.010 0.000 0.623 315 G HN 0.498 nan 8.290 nan 0.000 0.514 316 D N 0.469 120.877 120.400 0.013 0.000 2.449 316 D HA 0.430 5.070 4.640 -0.000 0.000 0.236 316 D C 0.450 176.764 176.300 0.025 0.000 1.149 316 D CA 0.336 54.346 54.000 0.016 0.000 0.878 316 D CB 1.617 42.425 40.800 0.013 0.000 1.198 316 D HN 0.230 nan 8.370 nan 0.000 0.446 317 V N 2.633 122.562 119.914 0.026 0.000 2.417 317 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 317 V C 0.157 176.273 176.094 0.036 0.000 1.024 317 V CA -0.719 61.602 62.300 0.036 0.000 0.861 317 V CB 1.648 33.490 31.823 0.031 0.000 0.985 317 V HN 0.402 nan 8.190 nan 0.000 0.436 318 V N 2.850 122.795 119.914 0.052 0.000 2.864 318 V HA 0.713 4.833 4.120 -0.000 0.000 0.314 318 V C -0.380 175.751 176.094 0.061 0.000 1.073 318 V CA -1.099 61.230 62.300 0.048 0.000 0.956 318 V CB 1.939 33.791 31.823 0.049 0.000 1.023 318 V HN 0.852 nan 8.190 nan 0.000 0.435 319 R N 2.295 122.824 120.500 0.047 0.000 2.295 319 R HA 0.752 5.092 4.340 -0.000 0.000 0.324 319 R C 0.090 176.424 176.300 0.057 0.000 0.968 319 R CA -0.035 56.095 56.100 0.051 0.000 0.837 319 R CB 1.331 31.647 30.300 0.027 0.000 1.133 319 R HN 1.180 nan 8.270 nan 0.000 0.450 320 A N 3.365 126.242 122.820 0.094 0.000 2.346 320 A HA 0.134 4.454 4.320 -0.000 0.000 0.252 320 A C 1.177 178.802 177.584 0.069 0.000 1.089 320 A CA -0.334 51.755 52.037 0.087 0.000 0.797 320 A CB 0.499 19.603 19.000 0.175 0.000 1.047 320 A HN 1.042 nan 8.150 nan 0.000 0.494 321 R N 0.473 121.002 120.500 0.049 0.000 2.117 321 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 321 R C 1.294 177.614 176.300 0.034 0.000 1.143 321 R CA 2.125 58.238 56.100 0.022 0.000 0.968 321 R CB -0.287 30.024 30.300 0.020 0.000 0.863 321 R HN 0.918 nan 8.270 nan 0.000 0.444 322 N N -0.429 118.319 118.700 0.080 0.000 2.515 322 N HA -0.006 4.733 4.740 -0.000 0.000 0.191 322 N C 0.973 176.496 175.510 0.021 0.000 1.182 322 N CA 1.179 54.259 53.050 0.049 0.000 0.879 322 N CB 0.318 38.844 38.487 0.064 0.000 0.984 322 N HN 0.431 nan 8.380 nan 0.000 0.453 323 G N -0.252 108.569 108.800 0.034 0.000 2.225 323 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.254 323 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.254 323 G C -0.076 174.835 174.900 0.019 0.000 0.988 323 G CA 0.260 45.367 45.100 0.012 0.000 0.625 323 G HN 0.491 nan 8.290 nan 0.000 0.527 324 K N 1.995 122.420 120.400 0.043 0.000 2.326 324 K HA 0.437 4.756 4.320 -0.000 0.000 0.275 324 K C 0.869 177.520 176.600 0.086 0.000 1.018 324 K CA 0.651 56.952 56.287 0.024 0.000 0.962 324 K CB 0.544 33.003 32.500 -0.067 0.000 0.953 324 K HN 0.401 nan 8.250 nan 0.000 0.475 325 T N 0.106 114.689 114.554 0.050 0.000 2.909 325 T HA 0.571 4.921 4.350 -0.000 0.000 0.286 325 T C 0.168 174.933 174.700 0.108 0.000 1.002 325 T CA -0.803 61.340 62.100 0.071 0.000 1.074 325 T CB 0.611 69.502 68.868 0.038 0.000 0.984 325 T HN 0.349 nan 8.240 nan 0.000 0.495 326 I N 1.799 122.453 120.570 0.140 0.000 2.466 326 I HA 0.322 4.492 4.170 -0.000 0.000 0.289 326 I C -0.101 176.098 176.117 0.138 0.000 1.026 326 I CA -0.868 60.552 61.300 0.200 0.000 1.078 326 I CB 2.355 40.536 38.000 0.302 0.000 1.249 326 I HN 0.666 nan 8.210 nan 0.000 0.429 327 Q N 5.498 125.375 119.800 0.128 0.000 2.322 327 Q HA 0.344 4.684 4.340 -0.000 0.000 0.256 327 Q C -1.080 174.961 176.000 0.069 0.000 0.960 327 Q CA -0.539 55.311 55.803 0.078 0.000 0.934 327 Q CB 1.383 30.156 28.738 0.059 0.000 1.200 327 Q HN 0.564 nan 8.270 nan 0.000 0.435 328 V N 5.780 125.720 119.914 0.043 0.000 2.153 328 V HA -0.007 4.112 4.120 -0.000 0.000 0.250 328 V C 0.320 176.415 176.094 0.002 0.000 1.334 328 V CA -0.004 62.304 62.300 0.014 0.000 1.249 328 V CB 0.318 32.147 31.823 0.011 0.000 1.371 328 V HN 0.827 nan 8.190 nan 0.000 0.498 329 D N 1.867 122.266 120.400 -0.002 0.000 2.224 329 D HA -0.037 4.602 4.640 -0.000 0.000 0.205 329 D C 0.945 177.236 176.300 -0.015 0.000 0.965 329 D CA 1.142 55.139 54.000 -0.006 0.000 0.852 329 D CB 0.192 40.990 40.800 -0.004 0.000 0.947 329 D HN 0.506 nan 8.370 nan 0.000 0.494 330 N N -0.502 118.180 118.700 -0.030 0.000 2.519 330 N HA 0.006 4.746 4.740 -0.000 0.000 0.286 330 N C 0.559 176.041 175.510 -0.045 0.000 1.079 330 N CA 0.071 53.101 53.050 -0.034 0.000 0.878 330 N CB 1.549 40.012 38.487 -0.039 0.000 1.375 330 N HN -0.138 nan 8.380 nan 0.000 0.514 331 T N -0.586 113.948 114.554 -0.032 0.000 3.051 331 T HA -0.091 4.258 4.350 -0.000 0.000 0.269 331 T C 0.955 175.628 174.700 -0.045 0.000 1.127 331 T CA 0.894 62.974 62.100 -0.033 0.000 1.107 331 T CB 0.076 68.935 68.868 -0.016 0.000 0.898 331 T HN 0.333 nan 8.240 nan 0.000 0.517 332 D N 1.526 121.895 120.400 -0.051 0.000 2.349 332 D HA 0.228 4.867 4.640 -0.000 0.000 0.215 332 D C 1.178 177.428 176.300 -0.084 0.000 1.016 332 D CA 0.203 54.166 54.000 -0.063 0.000 0.870 332 D CB -0.265 40.502 40.800 -0.054 0.000 0.917 332 D HN 0.549 nan 8.370 nan 0.000 0.524 333 A N 1.119 123.878 122.820 -0.100 0.000 3.260 333 A HA 0.142 4.461 4.320 -0.000 0.000 0.268 333 A C 1.393 178.876 177.584 -0.168 0.000 1.491 333 A CA -0.325 51.624 52.037 -0.146 0.000 1.181 333 A CB -0.273 18.620 19.000 -0.178 0.000 1.137 333 A HN 0.174 nan 8.150 nan 0.000 0.642 334 E N 0.193 120.321 120.200 -0.119 0.000 2.250 334 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 334 E C 1.516 178.059 176.600 -0.095 0.000 0.986 334 E CA 1.206 57.551 56.400 -0.092 0.000 0.849 334 E CB -0.825 28.845 29.700 -0.050 0.000 0.797 334 E HN 0.373 nan 8.360 nan 0.000 0.482 335 G N 2.869 111.604 108.800 -0.108 0.000 2.440 335 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.218 335 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.218 335 G C 1.884 176.718 174.900 -0.110 0.000 1.154 335 G CA 1.407 46.447 45.100 -0.099 0.000 0.767 335 G HN 0.463 nan 8.290 nan 0.000 0.552 336 R N 0.275 120.674 120.500 -0.168 0.000 2.148 336 R HA 0.134 4.473 4.340 -0.000 0.000 0.227 336 R C 2.281 178.517 176.300 -0.107 0.000 1.103 336 R CA 0.980 56.973 56.100 -0.178 0.000 0.983 336 R CB -0.614 29.428 30.300 -0.430 0.000 0.874 336 R HN 0.388 nan 8.270 nan 0.000 0.451 337 L N 1.655 122.794 121.223 -0.141 0.000 2.027 337 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 337 L C 2.821 179.677 176.870 -0.024 0.000 1.074 337 L CA 1.482 56.294 54.840 -0.046 0.000 0.745 337 L CB -0.622 41.423 42.059 -0.024 0.000 0.898 337 L HN 0.283 nan 8.230 nan 0.000 0.433 338 I N -2.198 118.359 120.570 -0.022 0.000 2.394 338 I HA -0.220 3.949 4.170 -0.000 0.000 0.251 338 I C 2.268 178.314 176.117 -0.119 0.000 1.136 338 I CA 1.329 62.592 61.300 -0.062 0.000 1.425 338 I CB -0.249 37.647 38.000 -0.172 0.000 1.079 338 I HN 0.151 nan 8.210 nan 0.000 0.425 339 L N 1.462 122.631 121.223 -0.091 0.000 2.141 339 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 339 L C 3.112 179.943 176.870 -0.065 0.000 1.094 339 L CA 1.100 55.911 54.840 -0.049 0.000 0.763 339 L CB -0.696 41.354 42.059 -0.014 0.000 0.908 339 L HN 0.366 nan 8.230 nan 0.000 0.437 340 A N 0.112 122.807 122.820 -0.209 0.000 1.908 340 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 340 A C 1.928 179.334 177.584 -0.297 0.000 1.181 340 A CA 2.192 53.857 52.037 -0.619 0.000 0.627 340 A CB -0.495 17.704 19.000 -1.336 0.000 0.818 340 A HN 0.348 nan 8.150 nan 0.000 0.445 341 D N -0.318 120.014 120.400 -0.112 0.000 2.123 341 D HA 0.036 4.676 4.640 -0.000 0.000 0.200 341 D C 2.248 178.670 176.300 0.203 0.000 0.976 341 D CA 1.416 55.450 54.000 0.058 0.000 0.831 341 D CB -0.412 40.463 40.800 0.126 0.000 0.974 341 D HN 0.416 nan 8.370 nan 0.000 0.469 342 A N 0.605 123.573 122.820 0.246 0.000 1.930 342 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 342 A C 2.360 180.173 177.584 0.381 0.000 1.175 342 A CA 0.754 53.055 52.037 0.440 0.000 0.627 342 A CB -0.692 18.472 19.000 0.273 0.000 0.815 342 A HN 0.184 nan 8.150 nan 0.000 0.443 343 L N -0.949 120.419 121.223 0.241 0.000 2.093 343 L HA -0.230 4.109 4.340 -0.000 0.000 0.208 343 L C 2.712 179.801 176.870 0.366 0.000 1.085 343 L CA 1.104 56.091 54.840 0.245 0.000 0.755 343 L CB -0.639 41.507 42.059 0.145 0.000 0.904 343 L HN 0.485 nan 8.230 nan 0.000 0.435 344 C N -1.210 118.265 119.300 0.293 0.000 2.436 344 C HA -0.235 4.225 4.460 -0.000 0.000 0.277 344 C C 2.740 177.937 174.990 0.344 0.000 1.241 344 C CA 0.555 59.728 59.018 0.258 0.000 1.721 344 C CB -0.762 27.083 27.740 0.176 0.000 2.043 344 C HN 0.528 nan 8.230 nan 0.000 0.472 345 Y N 2.154 122.584 120.300 0.216 0.000 2.207 345 Y HA -0.140 4.410 4.550 -0.000 0.000 0.287 345 Y C 2.413 178.532 175.900 0.366 0.000 1.156 345 Y CA 1.166 59.401 58.100 0.225 0.000 1.182 345 Y CB -0.736 37.856 38.460 0.220 0.000 0.979 345 Y HN 0.271 nan 8.280 nan 0.000 0.521 346 A N -0.588 122.460 122.820 0.380 0.000 1.978 346 A HA -0.258 4.061 4.320 -0.000 0.000 0.220 346 A C 1.769 179.487 177.584 0.224 0.000 1.170 346 A CA 2.059 54.283 52.037 0.311 0.000 0.636 346 A CB -1.119 17.993 19.000 0.186 0.000 0.810 346 A HN 0.682 nan 8.150 nan 0.000 0.448 347 H N -0.134 119.019 119.070 0.137 0.000 2.491 347 H HA -0.054 4.502 4.556 -0.000 0.000 0.290 347 H C 2.448 177.794 175.328 0.029 0.000 1.050 347 H CA 1.754 57.867 56.048 0.108 0.000 1.309 347 H CB -0.351 29.463 29.762 0.087 0.000 1.392 347 H HN 0.687 nan 8.280 nan 0.000 0.554 348 T N -2.000 112.548 114.554 -0.010 0.000 3.007 348 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 348 T C 1.376 175.853 174.700 -0.372 0.000 1.107 348 T CA 0.830 62.778 62.100 -0.254 0.000 1.118 348 T CB -0.496 68.087 68.868 -0.476 0.000 0.889 348 T HN 0.223 nan 8.240 nan 0.000 0.506 349 F N 1.907 121.803 119.950 -0.090 0.000 2.797 349 F HA 0.359 4.886 4.527 -0.000 0.000 0.302 349 F C 0.913 176.700 175.800 -0.022 0.000 1.130 349 F CA -0.663 57.292 58.000 -0.076 0.000 1.387 349 F CB -1.074 37.862 39.000 -0.106 0.000 1.107 349 F HN 0.171 nan 8.300 nan 0.000 0.577 350 N N 0.558 119.339 118.700 0.135 0.000 2.686 350 N HA -0.165 4.575 4.740 -0.000 0.000 0.261 350 N C -2.589 173.018 175.510 0.163 0.000 1.001 350 N CA -0.334 52.798 53.050 0.137 0.000 0.764 350 N CB -0.914 37.625 38.487 0.087 0.000 0.898 350 N HN 0.178 nan 8.380 nan 0.000 0.544 351 P HA 0.013 nan 4.420 nan 0.000 0.274 351 P C 0.075 177.518 177.300 0.238 0.000 1.246 351 P CA -0.144 63.036 63.100 0.133 0.000 0.795 351 P CB 1.000 32.706 31.700 0.010 0.000 1.006 352 K N -0.182 120.323 120.400 0.175 0.000 2.116 352 K HA 0.082 4.402 4.320 -0.000 0.000 0.203 352 K C 0.885 177.662 176.600 0.295 0.000 1.052 352 K CA 1.166 57.594 56.287 0.234 0.000 0.952 352 K CB -0.124 32.505 32.500 0.215 0.000 0.729 352 K HN 0.475 nan 8.250 nan 0.000 0.446 353 V N -1.931 118.058 119.914 0.126 0.000 3.147 353 V HA 0.533 4.652 4.120 -0.000 0.000 0.306 353 V C -1.356 174.675 176.094 -0.106 0.000 1.209 353 V CA -1.134 61.217 62.300 0.085 0.000 1.023 353 V CB 2.166 34.151 31.823 0.270 0.000 1.059 353 V HN -0.032 nan 8.190 nan 0.000 0.435 354 I N 3.234 123.736 120.570 -0.113 0.000 2.468 354 I HA 0.552 4.722 4.170 -0.000 0.000 0.285 354 I C -1.025 175.156 176.117 0.106 0.000 1.039 354 I CA -0.348 60.946 61.300 -0.009 0.000 1.074 354 I CB 1.899 39.866 38.000 -0.054 0.000 1.228 354 I HN 0.530 nan 8.210 nan 0.000 0.436 355 I N 6.995 127.556 120.570 -0.014 0.000 2.418 355 I HA 0.332 4.501 4.170 -0.000 0.000 0.287 355 I C -0.540 175.464 176.117 -0.188 0.000 1.008 355 I CA -0.550 60.603 61.300 -0.245 0.000 1.104 355 I CB 1.770 39.359 38.000 -0.685 0.000 1.264 355 I HN 0.622 nan 8.210 nan 0.000 0.438 356 N N 5.810 124.484 118.700 -0.045 0.000 2.335 356 N HA 0.811 5.551 4.740 -0.000 0.000 0.304 356 N C -1.439 174.074 175.510 0.004 0.000 1.135 356 N CA -0.578 52.502 53.050 0.050 0.000 0.817 356 N CB 2.965 41.599 38.487 0.245 0.000 1.294 356 N HN 0.548 nan 8.380 nan 0.000 0.497 357 A N 0.328 123.152 122.820 0.005 0.000 2.414 357 A HA 0.883 5.202 4.320 -0.000 0.000 0.306 357 A C -1.244 176.362 177.584 0.037 0.000 1.054 357 A CA -0.577 51.453 52.037 -0.011 0.000 0.724 357 A CB 1.611 20.572 19.000 -0.065 0.000 1.267 357 A HN 1.088 nan 8.150 nan 0.000 0.418 358 A N 0.736 123.587 122.820 0.051 0.000 2.577 358 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 358 A C -0.216 177.387 177.584 0.032 0.000 1.060 358 A CA 0.127 52.193 52.037 0.049 0.000 0.697 358 A CB 0.652 19.716 19.000 0.105 0.000 1.281 358 A HN 1.750 nan 8.150 nan 0.000 0.402 359 T N 1.286 115.837 114.554 -0.005 0.000 3.945 359 T HA 0.340 4.690 4.350 -0.000 0.000 0.306 359 T C 0.807 175.501 174.700 -0.011 0.000 1.475 359 T CA -0.103 61.988 62.100 -0.015 0.000 1.177 359 T CB -0.305 68.540 68.868 -0.038 0.000 1.272 359 T HN 0.545 nan 8.240 nan 0.000 0.930 360 L N 2.696 123.935 121.223 0.027 0.000 2.102 360 L HA 0.259 4.599 4.340 -0.000 0.000 0.202 360 L C 1.255 178.123 176.870 -0.003 0.000 1.076 360 L CA 1.333 56.187 54.840 0.024 0.000 0.761 360 L CB -0.065 42.052 42.059 0.097 0.000 0.921 360 L HN 0.846 nan 8.230 nan 0.000 0.444 361 T N -5.092 109.469 114.554 0.013 0.000 2.909 361 T HA 0.512 4.861 4.350 -0.000 0.000 0.299 361 T C 0.839 175.537 174.700 -0.003 0.000 1.073 361 T CA -0.329 61.770 62.100 -0.002 0.000 0.999 361 T CB 1.388 70.260 68.868 0.008 0.000 1.098 361 T HN 0.093 nan 8.240 nan 0.000 0.477 362 G N 0.577 109.369 108.800 -0.012 0.000 2.443 362 G HA2 0.118 4.077 3.960 -0.000 0.000 0.219 362 G HA3 0.118 4.077 3.960 -0.000 0.000 0.219 362 G C 1.591 176.489 174.900 -0.004 0.000 1.131 362 G CA 0.652 45.745 45.100 -0.011 0.000 0.775 362 G HN 1.148 nan 8.290 nan 0.000 0.547 363 A N 0.483 123.305 122.820 0.003 0.000 1.940 363 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 363 A C 2.268 179.859 177.584 0.012 0.000 1.176 363 A CA 2.151 54.193 52.037 0.009 0.000 0.631 363 A CB -0.330 18.680 19.000 0.017 0.000 0.814 363 A HN 0.387 nan 8.150 nan 0.000 0.446 364 M N 0.153 119.767 119.600 0.023 0.000 2.159 364 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 364 M C 1.545 177.841 176.300 -0.006 0.000 1.063 364 M CA 2.340 57.654 55.300 0.024 0.000 1.110 364 M CB -0.613 32.014 32.600 0.044 0.000 1.374 364 M HN 0.518 nan 8.290 nan 0.000 0.411 365 D N -0.577 119.818 120.400 -0.009 0.000 2.117 365 D HA -0.156 4.483 4.640 -0.000 0.000 0.197 365 D C 1.767 178.051 176.300 -0.027 0.000 0.987 365 D CA 1.421 55.409 54.000 -0.020 0.000 0.829 365 D CB 0.061 40.851 40.800 -0.017 0.000 0.961 365 D HN 0.334 nan 8.370 nan 0.000 0.460 366 I N 0.922 121.479 120.570 -0.021 0.000 2.361 366 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 366 I C 2.409 178.504 176.117 -0.037 0.000 1.133 366 I CA 0.960 62.246 61.300 -0.024 0.000 1.413 366 I CB -1.532 36.460 38.000 -0.013 0.000 1.073 366 I HN 0.096 nan 8.210 nan 0.000 0.424 367 A N 0.537 123.335 122.820 -0.037 0.000 1.840 367 A HA -0.041 4.279 4.320 -0.000 0.000 0.214 367 A C 2.159 179.683 177.584 -0.100 0.000 1.198 367 A CA 1.288 53.291 52.037 -0.057 0.000 0.608 367 A CB -0.422 18.554 19.000 -0.041 0.000 0.839 367 A HN 0.420 nan 8.150 nan 0.000 0.443 368 L N -2.369 118.794 121.223 -0.099 0.000 3.039 368 L HA 0.343 4.682 4.340 -0.000 0.000 0.269 368 L C 1.428 178.234 176.870 -0.107 0.000 1.169 368 L CA 0.118 54.873 54.840 -0.142 0.000 0.986 368 L CB -0.074 41.892 42.059 -0.154 0.000 1.377 368 L HN 0.656 nan 8.230 nan 0.000 0.575 369 G N 1.839 110.596 108.800 -0.072 0.000 2.596 369 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.295 369 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.295 369 G C 0.676 175.549 174.900 -0.046 0.000 1.240 369 G CA 0.528 45.595 45.100 -0.055 0.000 0.985 369 G HN 0.427 nan 8.290 nan 0.000 0.555 370 S N 0.427 116.102 115.700 -0.041 0.000 2.597 370 S HA 0.439 4.908 4.470 -0.000 0.000 0.224 370 S C 2.053 176.638 174.600 -0.025 0.000 0.955 370 S CA 0.909 59.092 58.200 -0.027 0.000 0.933 370 S CB 0.618 63.805 63.200 -0.022 0.000 0.788 370 S HN 1.817 nan 8.310 nan 0.000 0.488 371 G N 1.147 109.916 108.800 -0.052 0.000 2.408 371 G HA2 0.445 4.404 3.960 -0.000 0.000 0.217 371 G HA3 0.445 4.404 3.960 -0.000 0.000 0.217 371 G C 0.404 175.290 174.900 -0.023 0.000 1.150 371 G CA 0.546 45.608 45.100 -0.063 0.000 0.776 371 G HN 1.042 nan 8.290 nan 0.000 0.542 372 A N -1.878 120.937 122.820 -0.008 0.000 2.605 372 A HA 0.622 4.941 4.320 -0.000 0.000 0.294 372 A C -0.544 177.074 177.584 0.057 0.000 1.062 372 A CA -0.464 51.613 52.037 0.066 0.000 0.682 372 A CB 0.539 19.633 19.000 0.156 0.000 1.278 372 A HN 0.040 nan 8.150 nan 0.000 0.410 373 T N 1.448 116.044 114.554 0.070 0.000 2.851 373 T HA 0.484 4.833 4.350 -0.000 0.000 0.298 373 T C 0.779 175.495 174.700 0.026 0.000 0.977 373 T CA 0.860 62.976 62.100 0.026 0.000 1.126 373 T CB 0.881 69.753 68.868 0.007 0.000 0.916 373 T HN 1.153 nan 8.240 nan 0.000 0.529 374 G N 1.898 110.675 108.800 -0.039 0.000 2.370 374 G HA2 0.487 4.447 3.960 -0.000 0.000 0.272 374 G HA3 0.487 4.447 3.960 -0.000 0.000 0.272 374 G C -0.671 174.089 174.900 -0.233 0.000 1.208 374 G CA -0.376 44.642 45.100 -0.135 0.000 0.856 374 G HN 0.644 nan 8.290 nan 0.000 0.500 375 V N 2.980 122.700 119.914 -0.322 0.000 2.409 375 V HA 0.431 4.551 4.120 -0.000 0.000 0.291 375 V C -0.885 174.912 176.094 -0.494 0.000 1.020 375 V CA -0.651 61.479 62.300 -0.283 0.000 0.848 375 V CB 1.169 32.988 31.823 -0.007 0.000 0.990 375 V HN 0.592 nan 8.190 nan 0.000 0.430 376 F N 2.808 122.577 119.950 -0.302 0.000 2.411 376 F HA 0.694 5.221 4.527 -0.001 0.000 0.352 376 F C 0.450 176.030 175.800 -0.367 0.000 1.123 376 F CA -0.246 57.590 58.000 -0.274 0.000 1.044 376 F CB 2.065 40.977 39.000 -0.147 0.000 1.135 376 F HN 0.449 nan 8.300 nan 0.000 0.461 377 T N 1.817 116.312 114.554 -0.098 0.000 2.923 377 T HA 0.227 4.577 4.350 -0.000 0.000 0.311 377 T C 0.122 174.875 174.700 0.088 0.000 1.183 377 T CA -0.858 61.194 62.100 -0.081 0.000 1.020 377 T CB 0.856 69.703 68.868 -0.035 0.000 1.165 377 T HN 0.597 nan 8.240 nan 0.000 0.482 378 N N 1.834 120.660 118.700 0.209 0.000 2.322 378 N HA 0.158 4.897 4.740 -0.000 0.000 0.194 378 N C -0.062 175.589 175.510 0.236 0.000 1.126 378 N CA -0.287 52.919 53.050 0.259 0.000 0.845 378 N CB 0.541 39.237 38.487 0.349 0.000 0.976 378 N HN 0.294 nan 8.380 nan 0.000 0.475 379 S N -0.874 114.968 115.700 0.236 0.000 2.756 379 S HA 0.375 4.845 4.470 -0.000 0.000 0.303 379 S C 0.295 175.071 174.600 0.293 0.000 1.135 379 S CA -0.643 57.728 58.200 0.285 0.000 1.066 379 S CB 0.897 64.322 63.200 0.376 0.000 1.008 379 S HN 0.117 nan 8.310 nan 0.000 0.482 380 S N 3.498 119.359 115.700 0.269 0.000 2.423 380 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 380 S C 1.239 176.020 174.600 0.303 0.000 1.014 380 S CA 1.120 59.486 58.200 0.277 0.000 0.965 380 S CB -0.344 62.980 63.200 0.206 0.000 0.785 380 S HN 0.932 nan 8.310 nan 0.000 0.495 381 W N 2.029 123.427 121.300 0.163 0.000 2.355 381 W HA -0.109 4.550 4.660 -0.000 0.000 0.309 381 W C 1.766 178.388 176.519 0.171 0.000 1.206 381 W CA 0.845 58.281 57.345 0.151 0.000 1.284 381 W CB -0.512 29.037 29.460 0.148 0.000 1.145 381 W HN 0.243 nan 8.180 nan 0.000 0.502 382 L N 1.054 122.442 121.223 0.274 0.000 2.056 382 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 382 L C 2.301 179.119 176.870 -0.087 0.000 1.078 382 L CA 2.362 57.210 54.840 0.013 0.000 0.749 382 L CB -1.650 40.593 42.059 0.306 0.000 0.901 382 L HN 0.476 nan 8.230 nan 0.000 0.433 383 W N 0.384 121.628 121.300 -0.093 0.000 2.335 383 W HA -0.293 4.367 4.660 -0.001 0.000 0.311 383 W C 2.177 178.636 176.519 -0.101 0.000 1.213 383 W CA 1.741 59.008 57.345 -0.130 0.000 1.274 383 W CB -0.449 28.927 29.460 -0.141 0.000 1.148 383 W HN 0.304 nan 8.180 nan 0.000 0.498 384 N N 0.740 119.185 118.700 -0.426 0.000 2.104 384 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 384 N C 1.672 176.949 175.510 -0.389 0.000 1.024 384 N CA 1.621 54.393 53.050 -0.463 0.000 0.853 384 N CB -0.280 38.089 38.487 -0.196 0.000 1.008 384 N HN 0.106 nan 8.380 nan 0.000 0.424 385 K N 1.202 121.352 120.400 -0.416 0.000 2.057 385 K HA -0.036 4.284 4.320 -0.000 0.000 0.207 385 K C 2.229 178.760 176.600 -0.114 0.000 1.049 385 K CA 0.540 56.670 56.287 -0.262 0.000 0.931 385 K CB -0.640 31.686 32.500 -0.291 0.000 0.714 385 K HN 0.270 nan 8.250 nan 0.000 0.440 386 L N -0.293 120.787 121.223 -0.239 0.000 2.093 386 L HA -0.137 4.202 4.340 -0.000 0.000 0.208 386 L C 2.416 179.108 176.870 -0.296 0.000 1.085 386 L CA 0.838 55.531 54.840 -0.245 0.000 0.755 386 L CB -0.437 41.433 42.059 -0.315 0.000 0.904 386 L HN -0.001 nan 8.230 nan 0.000 0.435 387 F N 1.277 120.774 119.950 -0.754 0.000 2.102 387 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 387 F C 2.385 177.969 175.800 -0.360 0.000 1.105 387 F CA 1.723 59.261 58.000 -0.770 0.000 1.239 387 F CB -0.210 38.018 39.000 -1.286 0.000 0.991 387 F HN 0.046 nan 8.300 nan 0.000 0.474 388 E N 0.205 120.172 120.200 -0.388 0.000 2.077 388 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 388 E C 2.372 178.845 176.600 -0.212 0.000 0.989 388 E CA 1.081 57.285 56.400 -0.327 0.000 0.800 388 E CB -0.467 29.137 29.700 -0.161 0.000 0.746 388 E HN 0.491 nan 8.360 nan 0.000 0.452 389 A N 1.417 124.169 122.820 -0.113 0.000 1.902 389 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 389 A C 2.336 179.903 177.584 -0.028 0.000 1.181 389 A CA 1.969 54.005 52.037 -0.001 0.000 0.623 389 A CB -0.711 18.356 19.000 0.113 0.000 0.818 389 A HN 0.342 nan 8.150 nan 0.000 0.443 390 S N -0.041 115.601 115.700 -0.098 0.000 2.402 390 S HA -0.101 4.368 4.470 -0.000 0.000 0.229 390 S C 1.858 176.431 174.600 -0.045 0.000 1.021 390 S CA 1.294 59.462 58.200 -0.053 0.000 0.974 390 S CB -0.739 62.428 63.200 -0.055 0.000 0.800 390 S HN 0.484 nan 8.310 nan 0.000 0.484 391 I N 1.623 122.087 120.570 -0.177 0.000 2.226 391 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 391 I C 2.941 179.083 176.117 0.041 0.000 1.100 391 I CA 1.892 63.139 61.300 -0.088 0.000 1.374 391 I CB -0.395 37.468 38.000 -0.228 0.000 1.057 391 I HN 0.385 nan 8.210 nan 0.000 0.413 392 E N 1.020 121.215 120.200 -0.008 0.000 2.047 392 E HA -0.216 4.133 4.350 -0.000 0.000 0.191 392 E C 2.126 178.705 176.600 -0.036 0.000 0.987 392 E CA 2.312 58.701 56.400 -0.019 0.000 0.799 392 E CB -0.221 29.460 29.700 -0.031 0.000 0.752 392 E HN 0.505 nan 8.360 nan 0.000 0.449 393 T N -3.577 110.982 114.554 0.008 0.000 3.023 393 T HA 0.154 4.504 4.350 -0.000 0.000 0.266 393 T C 1.720 176.455 174.700 0.058 0.000 1.093 393 T CA 1.005 63.117 62.100 0.020 0.000 1.129 393 T CB -0.204 68.718 68.868 0.090 0.000 0.899 393 T HN 0.426 nan 8.240 nan 0.000 0.491 394 G N 1.147 110.024 108.800 0.127 0.000 2.205 394 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.261 394 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.261 394 G C -0.007 175.093 174.900 0.333 0.000 0.980 394 G CA 0.213 45.463 45.100 0.251 0.000 0.632 394 G HN 0.648 nan 8.290 nan 0.000 0.533 395 D N 1.435 121.966 120.400 0.217 0.000 2.522 395 D HA 0.339 4.979 4.640 -0.000 0.000 0.218 395 D C 1.161 177.555 176.300 0.157 0.000 1.149 395 D CA -0.375 53.735 54.000 0.184 0.000 0.981 395 D CB -0.072 40.811 40.800 0.137 0.000 1.041 395 D HN 0.461 nan 8.370 nan 0.000 0.518 396 R N 0.571 121.188 120.500 0.194 0.000 2.679 396 R HA 0.263 4.603 4.340 -0.000 0.000 0.268 396 R C 0.335 176.738 176.300 0.172 0.000 1.044 396 R CA -0.244 55.961 56.100 0.175 0.000 1.105 396 R CB 0.808 31.212 30.300 0.175 0.000 0.989 396 R HN 0.180 nan 8.270 nan 0.000 0.447 397 V N -1.047 119.004 119.914 0.228 0.000 2.864 397 V HA 0.655 4.775 4.120 -0.000 0.000 0.314 397 V C -0.908 175.500 176.094 0.523 0.000 1.073 397 V CA -1.036 61.434 62.300 0.285 0.000 0.956 397 V CB 2.528 34.470 31.823 0.198 0.000 1.023 397 V HN 0.821 nan 8.190 nan 0.000 0.435 398 W N 3.337 124.778 121.300 0.235 0.000 3.097 398 W HA 0.544 5.204 4.660 -0.000 0.000 0.335 398 W C -0.641 175.719 176.519 -0.265 0.000 1.114 398 W CA -0.628 56.773 57.345 0.094 0.000 1.231 398 W CB 2.383 31.816 29.460 -0.045 0.000 1.388 398 W HN 0.849 nan 8.180 nan 0.000 0.485 399 R N 4.756 124.528 120.500 -1.213 0.000 2.490 399 R HA 0.369 4.709 4.340 -0.000 0.000 0.280 399 R C -0.118 175.687 176.300 -0.825 0.000 1.077 399 R CA 0.151 55.481 56.100 -1.285 0.000 1.065 399 R CB 0.784 29.884 30.300 -2.000 0.000 1.003 399 R HN 0.347 nan 8.270 nan 0.000 0.470 400 M N 4.800 123.867 119.600 -0.887 0.000 2.602 400 M HA 0.410 4.889 4.480 -0.000 0.000 0.312 400 M C -2.308 173.533 176.300 -0.765 0.000 1.181 400 M CA -2.747 52.008 55.300 -0.908 0.000 0.910 400 M CB 1.782 33.474 32.600 -1.514 0.000 1.723 400 M HN 0.493 nan 8.290 nan 0.000 0.459 401 P HA 0.261 nan 4.420 nan 0.000 0.276 401 P C -1.008 176.221 177.300 -0.118 0.000 1.230 401 P CA -0.186 62.591 63.100 -0.538 0.000 0.776 401 P CB 0.814 31.869 31.700 -1.076 0.000 0.888 402 L N 4.279 125.475 121.223 -0.046 0.000 2.426 402 L HA 0.360 4.700 4.340 -0.000 0.000 0.255 402 L C -0.539 176.596 176.870 0.441 0.000 1.080 402 L CA -0.537 54.463 54.840 0.266 0.000 0.960 402 L CB -0.205 42.035 42.059 0.301 0.000 1.326 402 L HN 0.233 nan 8.230 nan 0.000 0.441 403 F N 0.571 120.758 119.950 0.395 0.000 2.492 403 F HA 0.273 4.800 4.527 -0.000 0.000 0.327 403 F C 1.417 177.331 175.800 0.189 0.000 1.079 403 F CA -1.224 56.911 58.000 0.225 0.000 0.967 403 F CB 1.387 40.437 39.000 0.085 0.000 1.169 403 F HN 0.294 nan 8.300 nan 0.000 0.472 404 E N 1.180 121.551 120.200 0.286 0.000 2.204 404 E HA -0.256 4.093 4.350 -0.000 0.000 0.195 404 E C 1.924 178.605 176.600 0.135 0.000 0.990 404 E CA 1.167 57.667 56.400 0.167 0.000 0.821 404 E CB -0.392 29.357 29.700 0.082 0.000 0.750 404 E HN 0.720 nan 8.360 nan 0.000 0.477 405 H N -0.065 118.990 119.070 -0.026 0.000 2.357 405 H HA -0.221 4.335 4.556 -0.001 0.000 0.296 405 H C 1.310 176.548 175.328 -0.150 0.000 1.108 405 H CA 2.162 58.112 56.048 -0.163 0.000 1.273 405 H CB -0.244 29.312 29.762 -0.344 0.000 1.367 405 H HN 0.259 nan 8.280 nan 0.000 0.498 406 Y N 0.415 120.957 120.300 0.402 0.000 2.314 406 Y HA -0.040 4.510 4.550 -0.000 0.000 0.294 406 Y C 3.063 179.052 175.900 0.148 0.000 1.119 406 Y CA 1.230 59.498 58.100 0.281 0.000 1.179 406 Y CB -0.640 37.974 38.460 0.257 0.000 1.025 406 Y HN 0.146 nan 8.280 nan 0.000 0.541 407 T N 0.229 114.936 114.554 0.256 0.000 2.720 407 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 407 T C 2.006 176.748 174.700 0.071 0.000 1.037 407 T CA 1.581 63.766 62.100 0.143 0.000 1.144 407 T CB -0.249 68.683 68.868 0.106 0.000 0.864 407 T HN 0.259 nan 8.240 nan 0.000 0.444 408 R N 0.945 121.469 120.500 0.040 0.000 2.127 408 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 408 R C 2.252 178.539 176.300 -0.023 0.000 1.134 408 R CA 1.447 57.540 56.100 -0.012 0.000 0.975 408 R CB -0.143 30.127 30.300 -0.050 0.000 0.865 408 R HN 0.510 nan 8.270 nan 0.000 0.447 409 Q N -0.347 119.453 119.800 -0.001 0.000 2.435 409 Q HA -0.050 4.290 4.340 -0.000 0.000 0.207 409 Q C 1.793 177.786 176.000 -0.012 0.000 0.956 409 Q CA 1.167 56.947 55.803 -0.039 0.000 0.917 409 Q CB 0.599 29.340 28.738 0.004 0.000 0.997 409 Q HN 0.392 nan 8.270 nan 0.000 0.497 410 V N -2.733 117.209 119.914 0.047 0.000 3.523 410 V HA 0.092 4.212 4.120 -0.000 0.000 0.255 410 V C 1.665 177.790 176.094 0.051 0.000 1.226 410 V CA 0.260 62.610 62.300 0.084 0.000 1.092 410 V CB -0.341 31.590 31.823 0.182 0.000 0.817 410 V HN 0.362 nan 8.190 nan 0.000 0.458 411 I N -1.631 118.945 120.570 0.010 0.000 3.728 411 I HA 0.283 4.453 4.170 -0.000 0.000 0.307 411 I C 0.837 176.941 176.117 -0.021 0.000 1.276 411 I CA 0.400 61.689 61.300 -0.018 0.000 1.285 411 I CB -0.114 37.859 38.000 -0.045 0.000 1.038 411 I HN 0.146 nan 8.210 nan 0.000 0.445 412 D N 3.029 123.414 120.400 -0.026 0.000 2.416 412 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 412 D C -1.103 175.180 176.300 -0.028 0.000 1.250 412 D CA 0.046 54.023 54.000 -0.038 0.000 0.967 412 D CB 0.691 41.452 40.800 -0.066 0.000 1.059 412 D HN 0.305 nan 8.370 nan 0.000 0.512 413 C N 4.408 123.698 119.300 -0.016 0.000 2.482 413 C HA 0.255 4.714 4.460 -0.000 0.000 0.317 413 C C 1.400 176.388 174.990 -0.004 0.000 1.197 413 C CA -0.624 58.393 59.018 -0.002 0.000 1.432 413 C CB 1.345 29.094 27.740 0.015 0.000 2.062 413 C HN 0.710 nan 8.230 nan 0.000 0.471 414 Q N 2.745 122.544 119.800 -0.002 0.000 2.050 414 Q HA -0.019 4.320 4.340 -0.000 0.000 0.202 414 Q C 1.179 177.180 176.000 0.002 0.000 0.980 414 Q CA 2.331 58.133 55.803 -0.002 0.000 0.840 414 Q CB -0.018 28.719 28.738 -0.001 0.000 0.898 414 Q HN 0.895 nan 8.270 nan 0.000 0.424 415 L N -1.655 119.573 121.223 0.008 0.000 2.672 415 L HA 0.533 4.873 4.340 -0.000 0.000 0.236 415 L C 0.594 177.471 176.870 0.011 0.000 1.092 415 L CA 0.022 54.867 54.840 0.009 0.000 0.887 415 L CB 0.462 42.529 42.059 0.013 0.000 1.168 415 L HN 0.142 nan 8.230 nan 0.000 0.502 416 A N -0.778 122.052 122.820 0.017 0.000 2.507 416 A HA 0.421 4.741 4.320 -0.000 0.000 0.284 416 A C -0.256 177.333 177.584 0.007 0.000 1.281 416 A CA -0.396 51.652 52.037 0.019 0.000 0.744 416 A CB 0.635 19.660 19.000 0.042 0.000 1.332 416 A HN -0.051 nan 8.150 nan 0.000 0.454 417 D N -0.905 119.495 120.400 -0.001 0.000 2.144 417 D HA 0.085 4.725 4.640 -0.000 0.000 0.200 417 D C 0.315 176.591 176.300 -0.040 0.000 0.978 417 D CA 1.982 55.960 54.000 -0.037 0.000 0.833 417 D CB 0.299 41.058 40.800 -0.068 0.000 0.961 417 D HN 0.298 nan 8.370 nan 0.000 0.470 418 V N -0.169 119.750 119.914 0.010 0.000 2.932 418 V HA 0.323 4.443 4.120 -0.000 0.000 0.307 418 V C -1.554 174.652 176.094 0.188 0.000 1.147 418 V CA -0.915 61.413 62.300 0.047 0.000 0.951 418 V CB 2.408 34.171 31.823 -0.101 0.000 1.031 418 V HN -0.130 nan 8.190 nan 0.000 0.426 419 N N 3.459 122.281 118.700 0.204 0.000 2.456 419 N HA 0.345 5.085 4.740 -0.000 0.000 0.288 419 N C 0.877 176.550 175.510 0.272 0.000 1.059 419 N CA -0.302 52.860 53.050 0.187 0.000 0.946 419 N CB 1.122 39.661 38.487 0.087 0.000 1.150 419 N HN 0.800 nan 8.380 nan 0.000 0.479 420 N N 3.298 122.066 118.700 0.113 0.000 2.521 420 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 420 N C -0.592 174.798 175.510 -0.199 0.000 1.146 420 N CA 0.410 53.343 53.050 -0.195 0.000 0.893 420 N CB -0.455 37.869 38.487 -0.272 0.000 0.975 420 N HN 0.575 nan 8.380 nan 0.000 0.451 421 I N -4.718 115.818 120.570 -0.056 0.000 2.827 421 I HA 0.630 4.799 4.170 -0.000 0.000 0.298 421 I C 0.359 176.476 176.117 -0.001 0.000 1.235 421 I CA -1.408 59.865 61.300 -0.044 0.000 1.021 421 I CB 1.637 39.611 38.000 -0.043 0.000 1.259 421 I HN -0.137 nan 8.210 nan 0.000 0.427 422 G N 2.643 111.449 108.800 0.010 0.000 2.667 422 G HA2 0.250 4.209 3.960 -0.000 0.000 0.250 422 G HA3 0.250 4.209 3.960 -0.000 0.000 0.250 422 G C 0.290 175.151 174.900 -0.065 0.000 1.212 422 G CA -0.544 44.557 45.100 0.003 0.000 0.874 422 G HN 0.851 nan 8.290 nan 0.000 0.561 423 K N -0.774 119.507 120.400 -0.198 0.000 2.097 423 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 423 K C 0.014 176.406 176.600 -0.346 0.000 1.049 423 K CA 1.280 57.328 56.287 -0.398 0.000 0.933 423 K CB -0.129 31.884 32.500 -0.811 0.000 0.717 423 K HN 0.521 nan 8.250 nan 0.000 0.442 424 Y N -1.050 119.281 120.300 0.052 0.000 2.650 424 Y HA 0.324 4.874 4.550 -0.001 0.000 0.331 424 Y C 0.950 176.882 175.900 0.054 0.000 1.082 424 Y CA -1.234 56.898 58.100 0.052 0.000 1.171 424 Y CB 0.824 39.322 38.460 0.064 0.000 1.326 424 Y HN -0.322 nan 8.280 nan 0.000 0.513 425 R N -0.409 120.230 120.500 0.231 0.000 2.276 425 R HA 0.185 4.524 4.340 -0.000 0.000 0.196 425 R C 0.079 176.457 176.300 0.130 0.000 0.961 425 R CA 0.174 56.354 56.100 0.134 0.000 1.024 425 R CB 0.025 30.381 30.300 0.092 0.000 0.940 425 R HN 0.389 nan 8.270 nan 0.000 0.480 426 S N 0.885 116.690 115.700 0.175 0.000 2.585 426 S HA 0.324 4.794 4.470 -0.000 0.000 0.273 426 S C 0.765 175.470 174.600 0.175 0.000 1.339 426 S CA 0.066 58.361 58.200 0.158 0.000 1.028 426 S CB 1.248 64.552 63.200 0.173 0.000 0.906 426 S HN 0.445 nan 8.310 nan 0.000 0.528 427 A N 1.046 123.943 122.820 0.129 0.000 2.704 427 A HA -0.171 4.149 4.320 -0.000 0.000 0.299 427 A C 1.594 179.190 177.584 0.021 0.000 1.507 427 A CA 0.929 53.010 52.037 0.072 0.000 0.776 427 A CB -2.087 16.996 19.000 0.138 0.000 1.027 427 A HN 1.291 nan 8.150 nan 0.000 0.475 428 G N -0.594 108.226 108.800 0.034 0.000 2.469 428 G HA2 0.018 3.978 3.960 -0.000 0.000 0.220 428 G HA3 0.018 3.978 3.960 -0.000 0.000 0.220 428 G C 1.689 176.578 174.900 -0.019 0.000 1.136 428 G CA 1.915 47.023 45.100 0.014 0.000 0.759 428 G HN 1.892 nan 8.290 nan 0.000 0.562 429 A N -0.309 122.511 122.820 -0.001 0.000 1.968 429 A HA 0.004 4.323 4.320 -0.000 0.000 0.217 429 A C 2.560 180.056 177.584 -0.146 0.000 1.169 429 A CA 1.687 53.739 52.037 0.025 0.000 0.638 429 A CB -0.750 18.360 19.000 0.184 0.000 0.812 429 A HN 0.435 nan 8.150 nan 0.000 0.446 430 C N -0.433 118.760 119.300 -0.179 0.000 2.466 430 C HA -0.057 4.402 4.460 -0.000 0.000 0.278 430 C C 3.181 177.959 174.990 -0.353 0.000 1.288 430 C CA 1.497 60.240 59.018 -0.459 0.000 1.722 430 C CB -1.387 25.693 27.740 -1.100 0.000 2.017 430 C HN 0.786 nan 8.230 nan 0.000 0.488 431 T N 0.214 114.682 114.554 -0.143 0.000 2.904 431 T HA -0.008 4.342 4.350 -0.000 0.000 0.267 431 T C 1.930 176.641 174.700 0.018 0.000 1.059 431 T CA 1.425 63.552 62.100 0.046 0.000 1.137 431 T CB -0.416 68.520 68.868 0.112 0.000 0.879 431 T HN 0.489 nan 8.240 nan 0.000 0.467 432 A N 1.987 124.765 122.820 -0.070 0.000 1.902 432 A HA 0.335 4.655 4.320 -0.000 0.000 0.217 432 A C 2.821 180.347 177.584 -0.097 0.000 1.181 432 A CA 1.784 53.776 52.037 -0.075 0.000 0.623 432 A CB -1.396 17.541 19.000 -0.106 0.000 0.818 432 A HN 0.711 nan 8.150 nan 0.000 0.443 433 A N -0.095 122.537 122.820 -0.313 0.000 1.902 433 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 433 A C 2.503 180.084 177.584 -0.006 0.000 1.181 433 A CA 2.109 53.919 52.037 -0.377 0.000 0.623 433 A CB -1.020 17.268 19.000 -1.186 0.000 0.818 433 A HN 1.070 nan 8.150 nan 0.000 0.443 434 A N -1.197 121.640 122.820 0.029 0.000 1.933 434 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 434 A C 2.041 179.712 177.584 0.145 0.000 1.175 434 A CA 1.611 53.735 52.037 0.146 0.000 0.628 434 A CB -0.727 18.395 19.000 0.203 0.000 0.814 434 A HN 0.690 nan 8.150 nan 0.000 0.444 435 F N 0.724 120.693 119.950 0.032 0.000 2.095 435 F HA -0.174 4.352 4.527 -0.000 0.000 0.298 435 F C 1.931 177.817 175.800 0.143 0.000 1.104 435 F CA 1.873 59.918 58.000 0.076 0.000 1.232 435 F CB -0.289 38.746 39.000 0.057 0.000 0.987 435 F HN 0.148 nan 8.300 nan 0.000 0.475 436 L N 0.275 121.697 121.223 0.332 0.000 2.079 436 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 436 L C 2.516 179.358 176.870 -0.047 0.000 1.081 436 L CA 1.835 56.807 54.840 0.219 0.000 0.752 436 L CB -0.825 41.339 42.059 0.174 0.000 0.896 436 L HN 0.143 nan 8.230 nan 0.000 0.433 437 K N 0.051 120.402 120.400 -0.081 0.000 2.280 437 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 437 K C 1.728 178.166 176.600 -0.270 0.000 1.047 437 K CA 0.913 57.041 56.287 -0.265 0.000 0.942 437 K CB 0.166 32.707 32.500 0.067 0.000 0.739 437 K HN 0.197 nan 8.250 nan 0.000 0.457 438 E N -0.382 119.634 120.200 -0.307 0.000 2.478 438 E HA -0.121 4.229 4.350 -0.000 0.000 0.198 438 E C 0.344 176.438 176.600 -0.844 0.000 1.046 438 E CA 0.753 56.819 56.400 -0.557 0.000 0.870 438 E CB 0.088 29.358 29.700 -0.717 0.000 0.818 438 E HN 0.343 nan 8.360 nan 0.000 0.527 439 F N -0.502 119.262 119.950 -0.309 0.000 2.698 439 F HA 0.170 4.697 4.527 -0.000 0.000 0.304 439 F C 0.186 175.823 175.800 -0.273 0.000 1.108 439 F CA -0.232 57.611 58.000 -0.262 0.000 1.263 439 F CB 0.975 39.855 39.000 -0.200 0.000 1.013 439 F HN -0.327 nan 8.300 nan 0.000 0.532 440 V N 0.284 120.051 119.914 -0.246 0.000 2.638 440 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 440 V C 0.546 176.592 176.094 -0.081 0.000 1.052 440 V CA -0.356 61.835 62.300 -0.181 0.000 0.885 440 V CB 1.885 33.311 31.823 -0.662 0.000 0.999 440 V HN 0.286 nan 8.190 nan 0.000 0.424 441 T N -1.198 113.427 114.554 0.118 0.000 3.040 441 T HA 0.173 4.523 4.350 -0.000 0.000 0.266 441 T C 0.546 175.377 174.700 0.217 0.000 1.005 441 T CA 0.016 62.169 62.100 0.088 0.000 0.906 441 T CB -0.141 68.714 68.868 -0.021 0.000 1.082 441 T HN 0.614 nan 8.240 nan 0.000 0.531 442 H N 3.485 122.725 119.070 0.283 0.000 2.815 442 H HA 0.175 4.730 4.556 -0.000 0.000 0.350 442 H C -1.534 173.909 175.328 0.193 0.000 1.080 442 H CA -1.063 55.099 56.048 0.191 0.000 1.433 442 H CB 1.841 31.652 29.762 0.082 0.000 1.432 442 H HN 0.057 nan 8.280 nan 0.000 0.592 443 P HA 0.030 nan 4.420 nan 0.000 0.236 443 P C -0.450 177.019 177.300 0.281 0.000 1.177 443 P CA 0.782 63.937 63.100 0.091 0.000 0.773 443 P CB 0.594 32.268 31.700 -0.043 0.000 0.878 444 K N -0.178 120.554 120.400 0.553 0.000 2.753 444 K HA 0.216 4.535 4.320 -0.000 0.000 0.185 444 K C -1.459 175.471 176.600 0.549 0.000 1.071 444 K CA -0.494 56.118 56.287 0.541 0.000 0.999 444 K CB 0.413 33.207 32.500 0.490 0.000 1.244 444 K HN -0.004 nan 8.250 nan 0.000 0.594 445 W N 1.868 123.333 121.300 0.275 0.000 2.666 445 W HA 0.651 5.311 4.660 -0.001 0.000 0.334 445 W C -1.592 175.014 176.519 0.146 0.000 1.051 445 W CA -0.567 56.873 57.345 0.159 0.000 1.224 445 W CB 1.392 30.955 29.460 0.172 0.000 1.405 445 W HN 0.337 nan 8.180 nan 0.000 0.513 446 A N 4.254 126.707 122.820 -0.612 0.000 2.398 446 A HA 0.528 4.848 4.320 -0.000 0.000 0.301 446 A C -2.147 174.949 177.584 -0.814 0.000 1.041 446 A CA -0.622 50.994 52.037 -0.702 0.000 0.711 446 A CB 1.076 19.866 19.000 -0.349 0.000 1.240 446 A HN 0.811 nan 8.150 nan 0.000 0.420 447 H N 2.210 120.780 119.070 -0.833 0.000 2.511 447 H HA 0.672 5.227 4.556 -0.001 0.000 0.328 447 H C -1.836 173.418 175.328 -0.124 0.000 1.044 447 H CA -0.899 54.917 56.048 -0.387 0.000 1.212 447 H CB 0.883 30.472 29.762 -0.289 0.000 1.428 447 H HN 0.382 nan 8.280 nan 0.000 0.483 448 L N 5.324 126.300 121.223 -0.412 0.000 2.276 448 L HA 0.223 4.563 4.340 -0.000 0.000 0.286 448 L C -0.142 176.491 176.870 -0.396 0.000 1.024 448 L CA -0.337 54.279 54.840 -0.374 0.000 0.826 448 L CB 1.181 43.110 42.059 -0.217 0.000 1.211 448 L HN 0.710 nan 8.230 nan 0.000 0.422 449 D N 4.027 124.198 120.400 -0.382 0.000 2.380 449 D HA 0.179 4.819 4.640 -0.000 0.000 0.230 449 D C 0.852 177.118 176.300 -0.057 0.000 1.154 449 D CA -0.206 53.714 54.000 -0.133 0.000 0.859 449 D CB 0.851 41.670 40.800 0.031 0.000 1.045 449 D HN 0.544 nan 8.370 nan 0.000 0.495 450 I N 0.854 121.403 120.570 -0.036 0.000 3.855 450 I HA 0.311 4.481 4.170 -0.000 0.000 0.327 450 I C 1.558 177.667 176.117 -0.014 0.000 1.359 450 I CA -0.486 60.799 61.300 -0.025 0.000 1.142 450 I CB 0.450 38.433 38.000 -0.027 0.000 1.041 450 I HN 0.189 nan 8.210 nan 0.000 0.403 451 A N 2.051 124.867 122.820 -0.007 0.000 1.908 451 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 451 A C 2.316 179.892 177.584 -0.013 0.000 1.181 451 A CA 1.983 54.014 52.037 -0.010 0.000 0.627 451 A CB -1.346 17.651 19.000 -0.005 0.000 0.818 451 A HN 0.562 nan 8.150 nan 0.000 0.445 452 G N -0.773 108.020 108.800 -0.012 0.000 2.484 452 G HA2 0.064 4.024 3.960 -0.000 0.000 0.218 452 G HA3 0.064 4.024 3.960 -0.000 0.000 0.218 452 G C 1.136 176.026 174.900 -0.016 0.000 1.130 452 G CA 1.288 46.378 45.100 -0.017 0.000 0.784 452 G HN 1.125 nan 8.290 nan 0.000 0.543 453 V N -2.101 117.806 119.914 -0.012 0.000 3.177 453 V HA 0.420 4.540 4.120 -0.000 0.000 0.342 453 V C 1.860 177.949 176.094 -0.008 0.000 1.379 453 V CA 0.295 62.591 62.300 -0.008 0.000 1.191 453 V CB 0.172 31.995 31.823 0.000 0.000 1.167 453 V HN 0.266 nan 8.190 nan 0.000 0.471 454 M N 2.089 121.683 119.600 -0.010 0.000 2.159 454 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 454 M C 1.172 177.470 176.300 -0.004 0.000 1.063 454 M CA 2.171 57.465 55.300 -0.009 0.000 1.110 454 M CB 0.170 32.762 32.600 -0.014 0.000 1.374 454 M HN 0.786 nan 8.290 nan 0.000 0.411 455 T N -1.937 112.615 114.554 -0.003 0.000 2.907 455 T HA 0.523 4.873 4.350 -0.000 0.000 0.290 455 T C -0.967 173.731 174.700 -0.003 0.000 1.066 455 T CA -1.001 61.101 62.100 0.003 0.000 1.012 455 T CB 1.809 70.680 68.868 0.006 0.000 1.184 455 T HN 0.275 nan 8.240 nan 0.000 0.522 456 N N -0.774 117.927 118.700 0.000 0.000 2.260 456 N HA 0.465 5.205 4.740 -0.000 0.000 0.293 456 N C 0.104 175.612 175.510 -0.003 0.000 1.058 456 N CA -0.780 52.263 53.050 -0.011 0.000 0.824 456 N CB 2.172 40.644 38.487 -0.025 0.000 1.551 456 N HN 0.696 nan 8.380 nan 0.000 0.475 457 K N 0.547 120.942 120.400 -0.009 0.000 2.230 457 K HA 0.154 4.474 4.320 -0.000 0.000 0.219 457 K C -0.222 176.372 176.600 -0.009 0.000 1.033 457 K CA 0.650 56.935 56.287 -0.004 0.000 0.937 457 K CB 0.341 32.838 32.500 -0.004 0.000 1.018 457 K HN 0.714 nan 8.250 nan 0.000 0.463 458 D N -0.358 120.032 120.400 -0.016 0.000 2.523 458 D HA 0.013 4.653 4.640 -0.000 0.000 0.269 458 D C 0.681 176.963 176.300 -0.030 0.000 1.374 458 D CA 0.044 54.031 54.000 -0.021 0.000 0.820 458 D CB 0.018 40.812 40.800 -0.009 0.000 1.211 458 D HN -0.023 nan 8.370 nan 0.000 0.502 459 E N 0.429 120.609 120.200 -0.033 0.000 2.031 459 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 459 E C 0.559 177.127 176.600 -0.053 0.000 0.994 459 E CA 1.014 57.398 56.400 -0.027 0.000 0.800 459 E CB 0.116 29.804 29.700 -0.021 0.000 0.752 459 E HN 0.109 nan 8.360 nan 0.000 0.447 460 V N 3.004 122.841 119.914 -0.128 0.000 2.368 460 V HA 0.061 4.181 4.120 -0.000 0.000 0.266 460 V C -1.758 174.143 176.094 -0.321 0.000 1.045 460 V CA -1.084 61.031 62.300 -0.309 0.000 0.899 460 V CB 1.087 32.646 31.823 -0.439 0.000 1.006 460 V HN 0.083 nan 8.190 nan 0.000 0.470 461 P HA -0.166 nan 4.420 nan 0.000 0.216 461 P C 0.947 178.231 177.300 -0.027 0.000 1.150 461 P CA 1.453 64.505 63.100 -0.079 0.000 0.843 461 P CB -0.042 31.669 31.700 0.019 0.000 0.787 462 Y N -2.388 117.907 120.300 -0.009 0.000 2.462 462 Y HA 0.429 4.979 4.550 -0.001 0.000 0.293 462 Y C 0.228 176.136 175.900 0.013 0.000 1.195 462 Y CA -0.670 57.425 58.100 -0.008 0.000 1.276 462 Y CB -0.948 37.493 38.460 -0.032 0.000 1.082 462 Y HN -0.196 nan 8.280 nan 0.000 0.514 463 L N 1.934 123.123 121.223 -0.057 0.000 2.349 463 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 463 L C 0.045 176.928 176.870 0.022 0.000 0.996 463 L CA -0.942 53.902 54.840 0.007 0.000 0.825 463 L CB 1.913 43.935 42.059 -0.062 0.000 1.243 463 L HN 0.088 nan 8.230 nan 0.000 0.412 464 R N 1.394 121.936 120.500 0.070 0.000 2.726 464 R HA 0.162 4.502 4.340 -0.000 0.000 0.272 464 R C 0.115 176.444 176.300 0.050 0.000 1.097 464 R CA -0.516 55.617 56.100 0.054 0.000 1.198 464 R CB 0.582 30.920 30.300 0.063 0.000 1.114 464 R HN 0.414 nan 8.270 nan 0.000 0.550 465 K N 0.594 121.016 120.400 0.037 0.000 2.472 465 K HA 0.132 4.452 4.320 -0.000 0.000 0.280 465 K C -0.063 176.570 176.600 0.055 0.000 1.028 465 K CA 0.909 57.216 56.287 0.035 0.000 1.045 465 K CB 0.234 32.750 32.500 0.026 0.000 0.902 465 K HN 0.771 nan 8.250 nan 0.000 0.478 466 G N 2.576 111.407 108.800 0.052 0.000 2.357 466 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.289 466 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.289 466 G C -1.193 173.740 174.900 0.056 0.000 1.302 466 G CA -1.046 44.095 45.100 0.067 0.000 0.936 466 G HN 0.409 nan 8.290 nan 0.000 0.513 467 M N 0.976 120.611 119.600 0.058 0.000 2.260 467 M HA 0.384 4.864 4.480 -0.000 0.000 0.348 467 M C 1.613 177.931 176.300 0.031 0.000 1.342 467 M CA 0.565 55.885 55.300 0.033 0.000 1.040 467 M CB 0.326 32.937 32.600 0.019 0.000 1.810 467 M HN 1.203 nan 8.290 nan 0.000 0.453 468 A N 2.718 125.544 122.820 0.011 0.000 2.030 468 A HA 0.380 4.700 4.320 -0.000 0.000 0.215 468 A C 1.490 179.067 177.584 -0.012 0.000 1.164 468 A CA 0.832 52.870 52.037 0.002 0.000 0.697 468 A CB -0.454 18.543 19.000 -0.005 0.000 0.827 468 A HN 1.176 nan 8.150 nan 0.000 0.457 469 G N -0.328 108.462 108.800 -0.017 0.000 2.198 469 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 469 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 469 G C 0.198 175.093 174.900 -0.008 0.000 1.025 469 G CA 0.526 45.610 45.100 -0.026 0.000 0.769 469 G HN 0.669 nan 8.290 nan 0.000 0.507 470 R N 0.276 120.777 120.500 0.002 0.000 2.457 470 R HA 0.502 4.841 4.340 -0.000 0.000 0.284 470 R C -2.180 174.124 176.300 0.005 0.000 1.024 470 R CA -1.588 54.521 56.100 0.014 0.000 1.025 470 R CB 1.557 31.869 30.300 0.019 0.000 1.063 470 R HN 0.115 nan 8.270 nan 0.000 0.493 471 P HA 0.154 nan 4.420 nan 0.000 0.209 471 P C -0.098 177.220 177.300 0.029 0.000 1.872 471 P CA -0.331 62.785 63.100 0.026 0.000 1.020 471 P CB 0.863 32.576 31.700 0.022 0.000 1.813 472 T N 0.590 115.158 114.554 0.023 0.000 2.653 472 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 472 T C 1.832 176.546 174.700 0.023 0.000 1.035 472 T CA 1.542 63.652 62.100 0.017 0.000 1.154 472 T CB -0.260 68.601 68.868 -0.011 0.000 0.862 472 T HN 0.335 nan 8.240 nan 0.000 0.441 473 R N 0.354 120.888 120.500 0.058 0.000 2.120 473 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 473 R C 2.718 179.116 176.300 0.164 0.000 1.123 473 R CA 1.461 57.637 56.100 0.127 0.000 0.975 473 R CB -0.541 29.891 30.300 0.220 0.000 0.866 473 R HN 0.343 nan 8.270 nan 0.000 0.446 474 T N 1.415 116.043 114.554 0.123 0.000 2.821 474 T HA -0.029 4.320 4.350 -0.000 0.000 0.267 474 T C 1.831 176.622 174.700 0.151 0.000 1.046 474 T CA 0.846 63.019 62.100 0.122 0.000 1.139 474 T CB -0.023 68.885 68.868 0.066 0.000 0.871 474 T HN 0.135 nan 8.240 nan 0.000 0.454 475 L N 0.226 121.523 121.223 0.123 0.000 2.056 475 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 475 L C 2.391 179.423 176.870 0.270 0.000 1.078 475 L CA 1.149 56.114 54.840 0.207 0.000 0.749 475 L CB -0.574 41.599 42.059 0.191 0.000 0.901 475 L HN 0.264 nan 8.230 nan 0.000 0.433 476 I N -0.184 120.438 120.570 0.085 0.000 2.179 476 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 476 I C 2.615 178.786 176.117 0.089 0.000 1.088 476 I CA 1.137 62.382 61.300 -0.091 0.000 1.357 476 I CB -0.218 37.418 38.000 -0.607 0.000 1.051 476 I HN 0.232 nan 8.210 nan 0.000 0.409 477 E N 1.272 121.630 120.200 0.264 0.000 2.077 477 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 477 E C 2.018 178.829 176.600 0.351 0.000 0.989 477 E CA 1.504 58.154 56.400 0.417 0.000 0.800 477 E CB -0.427 29.491 29.700 0.365 0.000 0.746 477 E HN 0.428 nan 8.360 nan 0.000 0.452 478 F N 0.633 120.686 119.950 0.171 0.000 2.095 478 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 478 F C 1.791 177.714 175.800 0.204 0.000 1.104 478 F CA 1.620 59.704 58.000 0.140 0.000 1.232 478 F CB -0.364 38.690 39.000 0.090 0.000 0.987 478 F HN 0.053 nan 8.300 nan 0.000 0.475 479 L N -0.843 120.444 121.223 0.107 0.000 2.046 479 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 479 L C 2.479 179.385 176.870 0.060 0.000 1.077 479 L CA 1.579 56.416 54.840 -0.004 0.000 0.747 479 L CB -1.009 41.102 42.059 0.087 0.000 0.896 479 L HN 0.299 nan 8.230 nan 0.000 0.432 480 F N 1.172 121.135 119.950 0.022 0.000 2.069 480 F HA -0.238 4.288 4.527 -0.000 0.000 0.298 480 F C 2.716 178.533 175.800 0.029 0.000 1.113 480 F CA 1.615 59.647 58.000 0.052 0.000 1.214 480 F CB -0.331 38.744 39.000 0.125 0.000 0.978 480 F HN -0.138 nan 8.300 nan 0.000 0.474 481 R N -0.946 119.412 120.500 -0.236 0.000 2.096 481 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 481 R C 2.312 178.440 176.300 -0.286 0.000 1.127 481 R CA 1.743 57.634 56.100 -0.348 0.000 0.968 481 R CB -1.013 29.224 30.300 -0.105 0.000 0.861 481 R HN 0.413 nan 8.270 nan 0.000 0.440 482 F N 1.856 121.573 119.950 -0.390 0.000 2.134 482 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 482 F C 2.561 178.236 175.800 -0.208 0.000 1.097 482 F CA 1.823 59.628 58.000 -0.325 0.000 1.264 482 F CB -0.259 38.439 39.000 -0.503 0.000 1.001 482 F HN 0.001 nan 8.300 nan 0.000 0.479 483 S N -0.525 115.162 115.700 -0.020 0.000 2.447 483 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 483 S C 1.015 175.505 174.600 -0.184 0.000 1.006 483 S CA 0.303 58.477 58.200 -0.044 0.000 0.957 483 S CB -0.573 62.638 63.200 0.020 0.000 0.773 483 S HN 0.553 nan 8.310 nan 0.000 0.507 484 Q N 0.000 119.611 119.800 -0.315 0.000 2.315 484 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 484 Q CA 0.000 55.625 55.803 -0.296 0.000 1.022 484 Q CB 0.000 28.479 28.738 -0.432 0.000 1.108 484 Q HN 0.000 nan 8.270 nan 0.000 0.481