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 2d0o_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRYIAGIDIG NSSTEVALAT LDEAGALTIT HSALAETTGI KGTLRNVFGI DATA SEQUENCE QEALALVARG AGIAVSDISL IRINEATPVI GDVAMETITE TIITESTMIG DATA SEQUENCE HNPKTPGGAG LGTGITITPQ ELLTRPADAP YILVVSSAFD FADIASVINA DATA SEQUENCE SLRAGYQITG VILQRDDGVL VSNRLEKPLP IVDEVLYIDR IPLGMLAAIE DATA SEQUENCE VAVPGKVIET LSNPYGIATV FNLSPEETKN IVPMARALIG NRSAVVVKTP DATA SEQUENCE SGDVKARAIP AGNLELLAQG RSVRVDVAAG AEAIMKAVDG CGRLDNVTGE DATA SEQUENCE SGTNIGGMLE HVRQTMAELT NKPSSEIFIQ DLLAVDTSVP VSVTGGLAGE DATA SEQUENCE FSLEQAVGIA SMVKSDRLQM AMIAREIEQK LNIDVQIGGA EAEAAILGAL DATA SEQUENCE TTPGTTRPLA ILDLGAGSTD ASIINPKGDI IATHLAGAGD MVTMIIAREL DATA SEQUENCE GLEDRYLAEE IKKYPLAKVE SLFHLRHEDG SVQFFSTPLP PAVFARVCVV DATA SEQUENCE KADELVPLPG DLALEKVRAI RRSAKERVFV TNALRALRQV SPTGNIRDIP DATA SEQUENCE FVVLVGGSSL DFEVPQLVTD ALAHYRLVAG RGNIRGSEGP RNAVATGLIL DATA SEQUENCE SWHKEF 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.170 176.300 -0.217 0.000 1.140 1 M CA 0.000 55.190 55.300 -0.184 0.000 0.988 1 M CB 0.000 32.397 32.600 -0.339 0.000 1.302 2 R N 1.159 121.536 120.500 -0.204 0.000 2.428 2 R HA 0.687 5.027 4.340 0.000 0.000 0.294 2 R C -1.635 174.492 176.300 -0.289 0.000 1.000 2 R CA -0.195 55.824 56.100 -0.135 0.000 0.960 2 R CB 1.127 31.414 30.300 -0.021 0.000 1.076 2 R HN 0.594 nan 8.270 nan 0.000 0.475 3 Y N 3.827 124.106 120.300 -0.035 0.000 2.377 3 Y HA 0.444 4.994 4.550 -0.000 0.000 0.339 3 Y C 0.084 175.908 175.900 -0.127 0.000 1.011 3 Y CA -0.817 57.246 58.100 -0.061 0.000 1.093 3 Y CB 1.684 40.110 38.460 -0.057 0.000 1.201 3 Y HN 0.268 nan 8.280 nan 0.000 0.455 4 I N 2.737 123.299 120.570 -0.013 0.000 2.498 4 I HA 0.605 4.775 4.170 0.000 0.000 0.290 4 I C -0.434 175.604 176.117 -0.131 0.000 1.032 4 I CA -1.005 60.170 61.300 -0.208 0.000 1.073 4 I CB 1.412 39.150 38.000 -0.438 0.000 1.251 4 I HN 0.674 nan 8.210 nan 0.000 0.426 5 A N 4.089 126.814 122.820 -0.159 0.000 2.350 5 A HA 0.886 5.206 4.320 0.000 0.000 0.324 5 A C -0.005 177.506 177.584 -0.120 0.000 1.118 5 A CA -0.547 51.430 52.037 -0.101 0.000 0.783 5 A CB 1.586 20.539 19.000 -0.078 0.000 1.236 5 A HN 0.849 nan 8.150 nan 0.000 0.457 6 G N 1.331 110.090 108.800 -0.069 0.000 2.478 6 G HA2 0.557 4.517 3.960 0.000 0.000 0.317 6 G HA3 0.557 4.517 3.960 0.000 0.000 0.317 6 G C -0.805 174.080 174.900 -0.026 0.000 1.259 6 G CA -0.292 44.777 45.100 -0.051 0.000 0.933 6 G HN 0.494 nan 8.290 nan 0.000 0.478 7 I N 2.588 123.142 120.570 -0.025 0.000 2.389 7 I HA 0.255 4.425 4.170 0.000 0.000 0.288 7 I C -1.106 175.012 176.117 0.001 0.000 0.999 7 I CA -0.722 60.570 61.300 -0.013 0.000 1.129 7 I CB 1.863 39.851 38.000 -0.021 0.000 1.288 7 I HN 0.462 nan 8.210 nan 0.000 0.444 8 D N 8.003 128.409 120.400 0.010 0.000 2.441 8 D HA 0.378 5.018 4.640 0.000 0.000 0.231 8 D C -0.475 175.837 176.300 0.021 0.000 1.073 8 D CA -0.278 53.733 54.000 0.019 0.000 0.850 8 D CB 0.646 41.460 40.800 0.023 0.000 1.062 8 D HN 0.317 nan 8.370 nan 0.000 0.524 9 I N 3.590 124.172 120.570 0.021 0.000 2.301 9 I HA 0.459 4.629 4.170 0.000 0.000 0.292 9 I C 1.200 177.335 176.117 0.030 0.000 1.046 9 I CA -0.446 60.868 61.300 0.025 0.000 1.282 9 I CB 1.395 39.407 38.000 0.021 0.000 1.409 9 I HN 0.361 nan 8.210 nan 0.000 0.484 10 G N 3.825 112.645 108.800 0.034 0.000 2.820 10 G HA2 0.229 4.189 3.960 0.000 0.000 0.291 10 G HA3 0.229 4.189 3.960 0.000 0.000 0.291 10 G C 0.239 175.162 174.900 0.039 0.000 1.323 10 G CA -0.598 44.525 45.100 0.038 0.000 1.055 10 G HN 0.629 nan 8.290 nan 0.000 0.520 11 N N -0.960 117.765 118.700 0.042 0.000 2.244 11 N HA -0.075 4.665 4.740 0.000 0.000 0.183 11 N C 1.978 177.515 175.510 0.046 0.000 1.016 11 N CA 1.445 54.520 53.050 0.041 0.000 0.866 11 N CB 0.219 38.731 38.487 0.042 0.000 0.980 11 N HN 0.347 nan 8.380 nan 0.000 0.430 12 S N -0.618 115.111 115.700 0.048 0.000 2.691 12 S HA 0.145 4.615 4.470 0.000 0.000 0.241 12 S C 0.385 175.015 174.600 0.051 0.000 1.077 12 S CA -0.196 58.035 58.200 0.052 0.000 0.900 12 S CB -0.034 63.199 63.200 0.055 0.000 0.805 12 S HN 0.275 nan 8.310 nan 0.000 0.529 13 S N 0.514 116.242 115.700 0.047 0.000 2.532 13 S HA 0.697 5.167 4.470 0.000 0.000 0.301 13 S C -0.883 173.741 174.600 0.039 0.000 1.083 13 S CA -0.531 57.696 58.200 0.044 0.000 1.025 13 S CB 1.686 64.911 63.200 0.041 0.000 1.056 13 S HN 0.149 nan 8.310 nan 0.000 0.494 14 T N 2.692 117.269 114.554 0.038 0.000 2.821 14 T HA 0.405 4.755 4.350 0.000 0.000 0.307 14 T C -0.635 174.081 174.700 0.027 0.000 1.034 14 T CA -0.467 61.652 62.100 0.032 0.000 0.953 14 T CB 0.487 69.375 68.868 0.034 0.000 0.968 14 T HN 0.692 nan 8.240 nan 0.000 0.462 15 E N 1.538 121.752 120.200 0.024 0.000 2.222 15 E HA 0.691 5.041 4.350 0.000 0.000 0.272 15 E C -0.946 175.664 176.600 0.016 0.000 0.982 15 E CA -0.919 55.494 56.400 0.022 0.000 0.842 15 E CB 2.525 32.239 29.700 0.024 0.000 1.144 15 E HN 0.274 nan 8.360 nan 0.000 0.397 16 V N 0.829 120.753 119.914 0.016 0.000 2.841 16 V HA 0.772 4.892 4.120 0.000 0.000 0.310 16 V C -1.549 174.557 176.094 0.019 0.000 1.090 16 V CA -0.445 61.861 62.300 0.010 0.000 0.930 16 V CB 1.756 33.580 31.823 0.002 0.000 1.014 16 V HN 0.789 nan 8.190 nan 0.000 0.425 17 A N 5.594 128.423 122.820 0.016 0.000 2.365 17 A HA 0.900 5.220 4.320 0.000 0.000 0.318 17 A C -1.449 176.153 177.584 0.029 0.000 1.091 17 A CA -0.600 51.454 52.037 0.029 0.000 0.763 17 A CB 1.600 20.616 19.000 0.025 0.000 1.248 17 A HN 1.202 nan 8.150 nan 0.000 0.442 18 L N 1.903 123.166 121.223 0.066 0.000 2.341 18 L HA 0.862 5.202 4.340 0.000 0.000 0.278 18 L C -0.037 176.904 176.870 0.118 0.000 1.005 18 L CA -0.029 54.861 54.840 0.083 0.000 0.818 18 L CB 1.518 43.633 42.059 0.095 0.000 1.259 18 L HN 1.013 nan 8.230 nan 0.000 0.418 19 A N 2.174 125.054 122.820 0.099 0.000 2.413 19 A HA 0.844 5.164 4.320 0.000 0.000 0.307 19 A C -0.539 177.084 177.584 0.066 0.000 1.087 19 A CA -0.134 51.951 52.037 0.080 0.000 0.750 19 A CB 1.444 20.467 19.000 0.038 0.000 1.296 19 A HN 0.748 nan 8.150 nan 0.000 0.423 20 T N -0.845 113.705 114.554 -0.006 0.000 2.867 20 T HA 0.618 4.968 4.350 0.000 0.000 0.282 20 T C -0.766 173.884 174.700 -0.083 0.000 1.000 20 T CA -0.496 61.499 62.100 -0.174 0.000 1.042 20 T CB 1.146 69.883 68.868 -0.220 0.000 0.973 20 T HN 1.018 nan 8.240 nan 0.000 0.465 21 L N 3.489 124.657 121.223 -0.091 0.000 2.372 21 L HA 0.495 4.835 4.340 0.000 0.000 0.273 21 L C -0.636 176.232 176.870 -0.003 0.000 0.989 21 L CA -0.420 54.439 54.840 0.031 0.000 0.841 21 L CB 1.132 43.284 42.059 0.155 0.000 1.225 21 L HN 0.930 nan 8.230 nan 0.000 0.414 22 D N 2.227 122.632 120.400 0.008 0.000 2.451 22 D HA 0.127 4.767 4.640 0.000 0.000 0.259 22 D C 0.677 176.997 176.300 0.034 0.000 1.201 22 D CA -0.214 53.785 54.000 -0.002 0.000 1.028 22 D CB 0.730 41.526 40.800 -0.005 0.000 1.095 22 D HN 0.500 nan 8.370 nan 0.000 0.539 23 E N 0.111 120.325 120.200 0.024 0.000 2.058 23 E HA -0.100 4.250 4.350 0.000 0.000 0.194 23 E C 1.960 178.585 176.600 0.042 0.000 0.997 23 E CA 2.079 58.499 56.400 0.034 0.000 0.801 23 E CB -0.780 28.933 29.700 0.022 0.000 0.746 23 E HN 0.569 nan 8.360 nan 0.000 0.450 24 A N -0.209 122.632 122.820 0.035 0.000 2.125 24 A HA 0.145 4.465 4.320 0.000 0.000 0.219 24 A C 1.943 179.559 177.584 0.054 0.000 1.156 24 A CA 1.475 53.533 52.037 0.035 0.000 0.671 24 A CB -0.664 18.352 19.000 0.026 0.000 0.794 24 A HN 0.409 nan 8.150 nan 0.000 0.459 25 G N -2.818 106.031 108.800 0.081 0.000 2.179 25 G HA2 0.158 4.118 3.960 0.000 0.000 0.220 25 G HA3 0.158 4.118 3.960 0.000 0.000 0.220 25 G C 0.343 175.348 174.900 0.175 0.000 0.990 25 G CA 0.219 45.401 45.100 0.136 0.000 0.646 25 G HN 1.586 nan 8.290 nan 0.000 0.517 26 A N 0.886 123.766 122.820 0.100 0.000 2.440 26 A HA 0.653 4.973 4.320 0.000 0.000 0.251 26 A C 0.356 177.957 177.584 0.029 0.000 1.089 26 A CA 0.005 52.078 52.037 0.059 0.000 0.779 26 A CB 0.717 19.731 19.000 0.024 0.000 1.022 26 A HN 1.150 nan 8.150 nan 0.000 0.492 27 L N 3.017 124.194 121.223 -0.077 0.000 2.296 27 L HA 0.635 4.975 4.340 0.000 0.000 0.286 27 L C -0.776 176.041 176.870 -0.088 0.000 1.023 27 L CA 0.247 55.018 54.840 -0.116 0.000 0.812 27 L CB 1.266 43.077 42.059 -0.412 0.000 1.223 27 L HN 0.722 nan 8.230 nan 0.000 0.421 28 T N 6.454 120.986 114.554 -0.035 0.000 2.890 28 T HA 0.507 4.857 4.350 0.000 0.000 0.295 28 T C 0.024 174.729 174.700 0.008 0.000 0.993 28 T CA -0.283 61.805 62.100 -0.020 0.000 0.979 28 T CB 1.271 70.133 68.868 -0.011 0.000 0.967 28 T HN 0.408 nan 8.240 nan 0.000 0.441 29 I N 3.581 124.155 120.570 0.007 0.000 2.352 29 I HA 0.248 4.418 4.170 0.000 0.000 0.290 29 I C 1.580 177.710 176.117 0.021 0.000 1.036 29 I CA -0.285 61.031 61.300 0.027 0.000 1.336 29 I CB 1.306 39.317 38.000 0.018 0.000 1.407 29 I HN 0.815 nan 8.210 nan 0.000 0.497 30 T N 0.671 115.263 114.554 0.063 0.000 2.987 30 T HA 0.222 4.572 4.350 0.000 0.000 0.248 30 T C 0.422 174.993 174.700 -0.214 0.000 0.997 30 T CA 0.106 62.202 62.100 -0.007 0.000 1.013 30 T CB 0.145 69.103 68.868 0.150 0.000 1.077 30 T HN 0.522 nan 8.240 nan 0.000 0.483 31 H N 1.032 120.120 119.070 0.029 0.000 2.928 31 H HA 0.781 5.337 4.556 0.000 0.000 0.371 31 H C -0.725 174.611 175.328 0.013 0.000 1.186 31 H CA -0.405 55.655 56.048 0.019 0.000 1.134 31 H CB 2.237 32.009 29.762 0.016 0.000 1.824 31 H HN 0.390 nan 8.280 nan 0.000 0.554 32 S N 0.593 116.366 115.700 0.122 0.000 2.618 32 S HA 0.974 5.444 4.470 0.000 0.000 0.277 32 S C -1.089 173.550 174.600 0.065 0.000 1.138 32 S CA -0.391 57.853 58.200 0.072 0.000 0.844 32 S CB 2.474 65.698 63.200 0.040 0.000 1.127 32 S HN 0.995 nan 8.310 nan 0.000 0.474 33 A N 0.226 123.072 122.820 0.044 0.000 2.581 33 A HA 0.867 5.187 4.320 0.000 0.000 0.290 33 A C -1.873 175.729 177.584 0.029 0.000 1.119 33 A CA -0.707 51.351 52.037 0.036 0.000 0.670 33 A CB 1.022 20.040 19.000 0.029 0.000 1.280 33 A HN 2.076 nan 8.150 nan 0.000 0.425 34 L N -2.905 118.336 121.223 0.029 0.000 2.518 34 L HA 1.049 5.389 4.340 0.000 0.000 0.257 34 L C -0.434 176.455 176.870 0.031 0.000 0.980 34 L CA -0.368 54.490 54.840 0.029 0.000 0.837 34 L CB 1.307 43.385 42.059 0.032 0.000 1.410 34 L HN 1.822 nan 8.230 nan 0.000 0.410 35 A N 0.611 123.451 122.820 0.033 0.000 2.435 35 A HA 0.766 5.086 4.320 0.000 0.000 0.296 35 A C -0.793 176.816 177.584 0.042 0.000 1.147 35 A CA -0.612 51.447 52.037 0.036 0.000 0.775 35 A CB 1.239 20.262 19.000 0.038 0.000 1.340 35 A HN 0.901 nan 8.150 nan 0.000 0.427 36 E N 0.291 120.517 120.200 0.044 0.000 2.360 36 E HA 0.298 4.648 4.350 0.000 0.000 0.269 36 E C -0.429 176.202 176.600 0.052 0.000 1.022 36 E CA -0.042 56.387 56.400 0.048 0.000 0.887 36 E CB 0.494 30.222 29.700 0.048 0.000 0.990 36 E HN 0.559 nan 8.360 nan 0.000 0.426 37 T N 3.253 117.839 114.554 0.053 0.000 2.888 37 T HA 0.064 4.414 4.350 0.000 0.000 0.301 37 T C -0.184 174.553 174.700 0.062 0.000 1.001 37 T CA -0.019 62.115 62.100 0.057 0.000 1.147 37 T CB 0.403 69.302 68.868 0.051 0.000 0.931 37 T HN 0.530 nan 8.240 nan 0.000 0.541 38 T N 0.944 115.545 114.554 0.079 0.000 2.753 38 T HA 0.648 4.998 4.350 0.000 0.000 0.297 38 T C 0.518 175.270 174.700 0.086 0.000 0.981 38 T CA -0.199 61.950 62.100 0.081 0.000 0.956 38 T CB 0.666 69.610 68.868 0.128 0.000 0.936 38 T HN 1.094 nan 8.240 nan 0.000 0.463 39 G N 3.239 112.074 108.800 0.057 0.000 2.712 39 G HA2 -0.101 3.859 3.960 0.000 0.000 0.683 39 G HA3 -0.101 3.859 3.960 0.000 0.000 0.683 39 G C -0.418 174.512 174.900 0.049 0.000 1.320 39 G CA -0.771 44.362 45.100 0.055 0.000 0.847 39 G HN 1.002 nan 8.290 nan 0.000 0.553 40 I N 0.572 121.167 120.570 0.042 0.000 2.813 40 I HA 0.124 4.294 4.170 0.000 0.000 0.287 40 I C 1.346 177.483 176.117 0.032 0.000 1.196 40 I CA 0.056 61.376 61.300 0.035 0.000 1.421 40 I CB 0.689 38.704 38.000 0.025 0.000 1.365 40 I HN 0.614 nan 8.210 nan 0.000 0.591 41 K N 4.077 124.493 120.400 0.028 0.000 2.451 41 K HA 0.153 4.473 4.320 0.000 0.000 0.280 41 K C 0.779 177.388 176.600 0.016 0.000 1.020 41 K CA 0.890 57.191 56.287 0.024 0.000 1.008 41 K CB 0.242 32.755 32.500 0.021 0.000 0.917 41 K HN 0.935 nan 8.250 nan 0.000 0.478 42 G N 2.419 111.228 108.800 0.016 0.000 2.131 42 G HA2 -0.232 3.728 3.960 0.000 0.000 0.223 42 G HA3 -0.232 3.728 3.960 0.000 0.000 0.223 42 G C -0.075 174.831 174.900 0.010 0.000 0.990 42 G CA 0.289 45.395 45.100 0.009 0.000 0.671 42 G HN 0.836 nan 8.290 nan 0.000 0.521 43 T N -2.730 111.836 114.554 0.019 0.000 2.932 43 T HA 0.687 5.037 4.350 0.000 0.000 0.289 43 T C 1.191 175.909 174.700 0.029 0.000 1.039 43 T CA -0.490 61.624 62.100 0.024 0.000 1.024 43 T CB 1.857 70.745 68.868 0.033 0.000 1.090 43 T HN 0.264 nan 8.240 nan 0.000 0.496 44 L N 0.723 121.962 121.223 0.028 0.000 2.265 44 L HA 0.060 4.400 4.340 0.000 0.000 0.215 44 L C 2.802 179.702 176.870 0.050 0.000 1.117 44 L CA 1.279 56.130 54.840 0.018 0.000 0.782 44 L CB -0.760 41.306 42.059 0.011 0.000 0.914 44 L HN 0.642 nan 8.230 nan 0.000 0.441 45 R N -0.372 120.195 120.500 0.112 0.000 2.159 45 R HA -0.147 4.193 4.340 0.000 0.000 0.237 45 R C 1.765 178.206 176.300 0.235 0.000 1.131 45 R CA 1.222 57.463 56.100 0.234 0.000 0.982 45 R CB -0.953 29.449 30.300 0.170 0.000 0.868 45 R HN 0.624 nan 8.270 nan 0.000 0.453 46 N N 0.163 118.930 118.700 0.111 0.000 2.348 46 N HA -0.127 4.613 4.740 0.000 0.000 0.185 46 N C 1.602 177.146 175.510 0.056 0.000 1.019 46 N CA 0.661 53.761 53.050 0.083 0.000 0.880 46 N CB 0.002 38.514 38.487 0.041 0.000 0.965 46 N HN -0.022 nan 8.380 nan 0.000 0.437 47 V N 0.548 120.450 119.914 -0.020 0.000 2.490 47 V HA -0.217 3.903 4.120 0.000 0.000 0.250 47 V C 1.560 177.559 176.094 -0.157 0.000 1.061 47 V CA 1.533 63.749 62.300 -0.140 0.000 1.064 47 V CB -0.677 30.984 31.823 -0.271 0.000 0.670 47 V HN 0.244 nan 8.190 nan 0.000 0.461 48 F N 1.287 121.235 119.950 -0.003 0.000 2.075 48 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 48 F C 2.505 178.303 175.800 -0.003 0.000 1.113 48 F CA 1.749 59.747 58.000 -0.003 0.000 1.218 48 F CB -1.187 37.812 39.000 -0.001 0.000 0.984 48 F HN 0.218 nan 8.300 nan 0.000 0.472 49 G N 0.106 109.025 108.800 0.198 0.000 2.408 49 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 49 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 49 G C 1.723 176.658 174.900 0.059 0.000 1.150 49 G CA 0.869 46.035 45.100 0.109 0.000 0.776 49 G HN 0.334 nan 8.290 nan 0.000 0.542 50 I N 0.216 120.807 120.570 0.036 0.000 2.179 50 I HA -0.241 3.929 4.170 0.000 0.000 0.242 50 I C 3.035 179.147 176.117 -0.009 0.000 1.088 50 I CA 1.282 62.583 61.300 0.003 0.000 1.357 50 I CB -0.288 37.700 38.000 -0.019 0.000 1.051 50 I HN 0.234 nan 8.210 nan 0.000 0.409 51 Q N 0.143 119.933 119.800 -0.016 0.000 2.124 51 Q HA -0.275 4.065 4.340 0.000 0.000 0.202 51 Q C 2.109 178.110 176.000 0.002 0.000 0.977 51 Q CA 1.655 57.446 55.803 -0.021 0.000 0.850 51 Q CB -0.152 28.564 28.738 -0.036 0.000 0.901 51 Q HN 0.367 nan 8.270 nan 0.000 0.429 52 E N 1.000 121.219 120.200 0.031 0.000 2.058 52 E HA -0.187 4.163 4.350 0.000 0.000 0.194 52 E C 1.789 178.398 176.600 0.015 0.000 0.997 52 E CA 1.598 58.017 56.400 0.032 0.000 0.801 52 E CB -0.299 29.432 29.700 0.052 0.000 0.746 52 E HN 0.322 nan 8.360 nan 0.000 0.450 53 A N 0.460 123.289 122.820 0.015 0.000 1.908 53 A HA -0.149 4.171 4.320 0.000 0.000 0.218 53 A C 2.398 179.977 177.584 -0.007 0.000 1.181 53 A CA 1.612 53.654 52.037 0.008 0.000 0.627 53 A CB -0.823 18.183 19.000 0.010 0.000 0.818 53 A HN 0.352 nan 8.150 nan 0.000 0.445 54 L N -0.905 120.307 121.223 -0.019 0.000 2.046 54 L HA -0.185 4.155 4.340 0.000 0.000 0.208 54 L C 3.122 179.964 176.870 -0.046 0.000 1.077 54 L CA 1.021 55.838 54.840 -0.038 0.000 0.747 54 L CB -0.560 41.471 42.059 -0.047 0.000 0.896 54 L HN 0.446 nan 8.230 nan 0.000 0.432 55 A N 0.055 122.855 122.820 -0.034 0.000 1.908 55 A HA -0.191 4.129 4.320 0.000 0.000 0.218 55 A C 2.278 179.840 177.584 -0.037 0.000 1.181 55 A CA 1.457 53.472 52.037 -0.037 0.000 0.627 55 A CB -0.716 18.272 19.000 -0.021 0.000 0.818 55 A HN 0.339 nan 8.150 nan 0.000 0.445 56 L N -0.985 120.226 121.223 -0.021 0.000 1.989 56 L HA -0.166 4.174 4.340 0.000 0.000 0.211 56 L C 2.574 179.430 176.870 -0.024 0.000 1.071 56 L CA 1.617 56.449 54.840 -0.014 0.000 0.749 56 L CB -0.434 41.627 42.059 0.003 0.000 0.890 56 L HN 0.339 nan 8.230 nan 0.000 0.431 57 V N -0.446 119.451 119.914 -0.028 0.000 2.667 57 V HA -0.190 3.930 4.120 0.000 0.000 0.252 57 V C 2.507 178.535 176.094 -0.110 0.000 1.065 57 V CA 1.556 63.836 62.300 -0.034 0.000 1.083 57 V CB 0.079 31.895 31.823 -0.013 0.000 0.692 57 V HN 0.447 nan 8.190 nan 0.000 0.468 58 A N 0.261 123.010 122.820 -0.119 0.000 1.877 58 A HA -0.200 4.120 4.320 0.000 0.000 0.216 58 A C 2.303 179.788 177.584 -0.165 0.000 1.186 58 A CA 1.795 53.730 52.037 -0.170 0.000 0.620 58 A CB -0.570 18.344 19.000 -0.143 0.000 0.822 58 A HN 0.552 nan 8.150 nan 0.000 0.443 59 R N -0.880 119.556 120.500 -0.107 0.000 2.096 59 R HA -0.116 4.224 4.340 0.000 0.000 0.235 59 R C 2.362 178.611 176.300 -0.085 0.000 1.127 59 R CA 1.141 57.192 56.100 -0.082 0.000 0.968 59 R CB -0.700 29.572 30.300 -0.047 0.000 0.861 59 R HN 0.542 nan 8.270 nan 0.000 0.440 60 G N 0.739 109.491 108.800 -0.080 0.000 2.442 60 G HA2 -0.245 3.715 3.960 0.000 0.000 0.219 60 G HA3 -0.245 3.715 3.960 0.000 0.000 0.219 60 G C 1.403 176.187 174.900 -0.194 0.000 1.141 60 G CA 0.820 45.896 45.100 -0.041 0.000 0.763 60 G HN 0.428 nan 8.290 nan 0.000 0.554 61 A N -0.614 121.925 122.820 -0.469 0.000 2.195 61 A HA 0.485 4.805 4.320 0.000 0.000 0.210 61 A C 1.921 179.326 177.584 -0.298 0.000 1.165 61 A CA 1.264 52.859 52.037 -0.736 0.000 0.806 61 A CB -0.260 18.252 19.000 -0.814 0.000 0.847 61 A HN 1.628 nan 8.150 nan 0.000 0.482 62 G N -0.029 108.649 108.800 -0.203 0.000 2.182 62 G HA2 -0.210 3.750 3.960 0.000 0.000 0.248 62 G HA3 -0.210 3.750 3.960 0.000 0.000 0.248 62 G C 0.129 174.943 174.900 -0.142 0.000 1.042 62 G CA 0.505 45.530 45.100 -0.125 0.000 0.775 62 G HN 1.351 nan 8.290 nan 0.000 0.501 63 I N -3.249 117.197 120.570 -0.208 0.000 3.264 63 I HA 0.956 5.126 4.170 0.000 0.000 0.309 63 I C 0.404 176.408 176.117 -0.188 0.000 1.099 63 I CA -1.294 59.865 61.300 -0.234 0.000 0.989 63 I CB 1.903 39.636 38.000 -0.445 0.000 1.250 63 I HN 0.434 nan 8.210 nan 0.000 0.478 64 A N 1.615 124.333 122.820 -0.170 0.000 2.293 64 A HA 0.513 4.833 4.320 0.000 0.000 0.302 64 A C 0.902 178.394 177.584 -0.152 0.000 1.119 64 A CA -0.560 51.400 52.037 -0.129 0.000 0.823 64 A CB 1.179 20.125 19.000 -0.090 0.000 1.097 64 A HN 0.690 nan 8.150 nan 0.000 0.491 65 V N 1.909 121.753 119.914 -0.117 0.000 2.469 65 V HA -0.232 3.888 4.120 0.000 0.000 0.251 65 V C 2.596 178.631 176.094 -0.099 0.000 1.064 65 V CA 2.735 64.969 62.300 -0.110 0.000 1.066 65 V CB -0.803 30.972 31.823 -0.080 0.000 0.667 65 V HN 1.077 nan 8.190 nan 0.000 0.461 66 S N -0.851 114.800 115.700 -0.081 0.000 2.603 66 S HA -0.116 4.354 4.470 0.000 0.000 0.229 66 S C 1.267 175.834 174.600 -0.055 0.000 0.972 66 S CA 0.900 59.065 58.200 -0.059 0.000 0.935 66 S CB -0.340 62.834 63.200 -0.045 0.000 0.769 66 S HN 0.573 nan 8.310 nan 0.000 0.536 67 D N 1.413 121.759 120.400 -0.089 0.000 2.347 67 D HA 0.228 4.868 4.640 0.000 0.000 0.213 67 D C 0.412 176.700 176.300 -0.020 0.000 0.985 67 D CA 0.192 54.149 54.000 -0.071 0.000 0.879 67 D CB -0.097 40.590 40.800 -0.189 0.000 0.919 67 D HN 0.489 nan 8.370 nan 0.000 0.526 68 I N 1.296 121.829 120.570 -0.062 0.000 2.496 68 I HA -0.038 4.132 4.170 0.000 0.000 0.285 68 I C 1.467 177.577 176.117 -0.011 0.000 1.080 68 I CA -0.001 61.289 61.300 -0.016 0.000 1.404 68 I CB 1.301 39.262 38.000 -0.066 0.000 1.403 68 I HN -0.142 nan 8.210 nan 0.000 0.539 69 S N 6.287 121.985 115.700 -0.003 0.000 2.511 69 S HA 0.280 4.750 4.470 0.000 0.000 0.214 69 S C -0.039 174.511 174.600 -0.084 0.000 0.997 69 S CA -0.277 57.906 58.200 -0.027 0.000 0.908 69 S CB 0.291 63.489 63.200 -0.003 0.000 0.803 69 S HN 0.488 nan 8.310 nan 0.000 0.504 70 L N 0.483 121.620 121.223 -0.143 0.000 2.549 70 L HA 0.627 4.967 4.340 0.000 0.000 0.259 70 L C -2.118 174.613 176.870 -0.232 0.000 0.934 70 L CA -0.651 54.061 54.840 -0.213 0.000 0.865 70 L CB 1.850 43.695 42.059 -0.357 0.000 1.352 70 L HN 0.204 nan 8.230 nan 0.000 0.410 71 I N 4.721 125.179 120.570 -0.186 0.000 2.406 71 I HA 0.538 4.708 4.170 0.000 0.000 0.290 71 I C -0.326 175.693 176.117 -0.165 0.000 0.999 71 I CA -0.767 60.436 61.300 -0.162 0.000 1.124 71 I CB 1.495 39.432 38.000 -0.104 0.000 1.289 71 I HN 0.450 nan 8.210 nan 0.000 0.441 72 R N 6.774 127.168 120.500 -0.176 0.000 2.255 72 R HA 0.625 4.965 4.340 0.000 0.000 0.326 72 R C -0.734 175.530 176.300 -0.059 0.000 0.986 72 R CA -0.616 55.413 56.100 -0.117 0.000 0.847 72 R CB 1.548 31.770 30.300 -0.131 0.000 1.111 72 R HN 0.581 nan 8.270 nan 0.000 0.452 73 I N 2.965 123.516 120.570 -0.032 0.000 2.607 73 I HA 0.182 4.352 4.170 0.000 0.000 0.305 73 I C 0.581 176.701 176.117 0.005 0.000 0.995 73 I CA -1.136 60.155 61.300 -0.014 0.000 1.148 73 I CB 1.620 39.611 38.000 -0.015 0.000 1.323 73 I HN 0.531 nan 8.210 nan 0.000 0.461 74 N N 3.055 121.763 118.700 0.012 0.000 2.518 74 N HA -0.035 4.705 4.740 0.000 0.000 0.266 74 N C -0.348 175.176 175.510 0.023 0.000 1.196 74 N CA -0.359 52.706 53.050 0.024 0.000 0.947 74 N CB 0.826 39.330 38.487 0.029 0.000 1.098 74 N HN 0.485 nan 8.380 nan 0.000 0.450 75 E N 1.080 121.298 120.200 0.030 0.000 1.795 75 E HA 0.252 4.602 4.350 0.000 0.000 0.261 75 E C -0.424 176.192 176.600 0.027 0.000 1.238 75 E CA -0.388 56.028 56.400 0.027 0.000 1.001 75 E CB -0.728 28.991 29.700 0.032 0.000 1.065 75 E HN 0.631 nan 8.360 nan 0.000 0.418 76 A N 4.069 126.902 122.820 0.020 0.000 2.546 76 A HA 0.146 4.466 4.320 0.000 0.000 0.243 76 A C 0.580 178.170 177.584 0.011 0.000 1.063 76 A CA 0.258 52.307 52.037 0.020 0.000 0.757 76 A CB -0.287 18.721 19.000 0.015 0.000 0.991 76 A HN 0.738 nan 8.150 nan 0.000 0.503 77 T N 1.820 116.382 114.554 0.014 0.000 2.866 77 T HA 0.274 4.624 4.350 0.000 0.000 0.293 77 T C -1.945 172.713 174.700 -0.069 0.000 1.005 77 T CA -0.734 61.350 62.100 -0.026 0.000 1.162 77 T CB 0.328 69.181 68.868 -0.026 0.000 0.968 77 T HN 0.501 nan 8.240 nan 0.000 0.530 78 P HA 0.263 nan 4.420 nan 0.000 0.228 78 P C -0.773 176.461 177.300 -0.110 0.000 1.748 78 P CA -0.297 62.759 63.100 -0.074 0.000 0.909 78 P CB -0.248 31.422 31.700 -0.049 0.000 1.882 79 V N 2.674 122.512 119.914 -0.128 0.000 2.588 79 V HA 0.506 4.626 4.120 0.000 0.000 0.304 79 V C 0.467 176.530 176.094 -0.052 0.000 1.042 79 V CA -0.855 61.370 62.300 -0.126 0.000 0.877 79 V CB 2.359 34.040 31.823 -0.237 0.000 0.996 79 V HN 0.169 nan 8.190 nan 0.000 0.425 80 I N 1.380 121.934 120.570 -0.027 0.000 2.934 80 I HA 1.064 5.234 4.170 0.000 0.000 0.306 80 I C -0.008 176.115 176.117 0.010 0.000 1.110 80 I CA -0.628 60.670 61.300 -0.002 0.000 1.019 80 I CB 2.578 40.579 38.000 0.001 0.000 1.227 80 I HN 0.663 nan 8.210 nan 0.000 0.434 81 G N 1.437 110.249 108.800 0.021 0.000 2.605 81 G HA2 0.631 4.591 3.960 0.000 0.000 0.296 81 G HA3 0.631 4.591 3.960 0.000 0.000 0.296 81 G C -2.201 172.715 174.900 0.026 0.000 1.304 81 G CA -0.232 44.882 45.100 0.023 0.000 0.941 81 G HN 0.734 nan 8.290 nan 0.000 0.475 82 D N -1.550 118.862 120.400 0.021 0.000 2.596 82 D HA 0.620 5.260 4.640 0.000 0.000 0.262 82 D C -0.737 175.560 176.300 -0.005 0.000 1.210 82 D CA -0.159 53.851 54.000 0.015 0.000 0.873 82 D CB 2.348 43.174 40.800 0.044 0.000 1.408 82 D HN 0.779 nan 8.370 nan 0.000 0.441 83 V N -1.504 118.397 119.914 -0.022 0.000 2.925 83 V HA 1.078 5.198 4.120 0.000 0.000 0.311 83 V C -0.854 175.217 176.094 -0.039 0.000 1.104 83 V CA -0.596 61.685 62.300 -0.032 0.000 0.954 83 V CB 1.012 32.810 31.823 -0.042 0.000 1.022 83 V HN 0.868 nan 8.190 nan 0.000 0.427 84 A N 4.353 127.153 122.820 -0.034 0.000 2.588 84 A HA 1.036 5.356 4.320 0.000 0.000 0.290 84 A C -0.823 176.744 177.584 -0.029 0.000 1.136 84 A CA -0.277 51.740 52.037 -0.035 0.000 0.681 84 A CB 2.266 21.248 19.000 -0.030 0.000 1.282 84 A HN 2.301 nan 8.150 nan 0.000 0.421 85 M N -0.508 119.076 119.600 -0.026 0.000 2.569 85 M HA 0.904 5.384 4.480 0.000 0.000 0.279 85 M C -1.475 174.816 176.300 -0.015 0.000 1.253 85 M CA -0.358 54.930 55.300 -0.020 0.000 0.867 85 M CB 2.183 34.770 32.600 -0.021 0.000 1.727 85 M HN 0.549 nan 8.290 nan 0.000 0.467 86 E N 0.979 121.173 120.200 -0.010 0.000 2.234 86 E HA 0.522 4.872 4.350 0.000 0.000 0.266 86 E C -1.411 175.187 176.600 -0.003 0.000 0.877 86 E CA -0.347 56.049 56.400 -0.007 0.000 0.758 86 E CB 2.429 32.127 29.700 -0.005 0.000 1.170 86 E HN 0.747 nan 8.360 nan 0.000 0.415 87 T N 4.480 119.034 114.554 -0.001 0.000 2.884 87 T HA 0.259 4.609 4.350 0.000 0.000 0.298 87 T C 1.061 175.763 174.700 0.004 0.000 0.998 87 T CA -0.104 61.998 62.100 0.003 0.000 1.124 87 T CB 0.201 69.073 68.868 0.007 0.000 0.931 87 T HN 0.565 nan 8.240 nan 0.000 0.531 88 I N -0.250 120.323 120.570 0.005 0.000 4.240 88 I HA 0.321 4.491 4.170 0.000 0.000 0.331 88 I C 0.460 176.579 176.117 0.005 0.000 1.381 88 I CA -0.631 60.672 61.300 0.004 0.000 1.136 88 I CB 0.504 38.505 38.000 0.002 0.000 1.137 88 I HN 0.574 nan 8.210 nan 0.000 0.411 89 T N -0.900 113.658 114.554 0.007 0.000 2.883 89 T HA 0.724 5.074 4.350 0.000 0.000 0.296 89 T C -0.774 173.933 174.700 0.010 0.000 1.117 89 T CA -0.543 61.561 62.100 0.007 0.000 1.006 89 T CB 2.749 71.621 68.868 0.007 0.000 1.191 89 T HN 0.471 nan 8.240 nan 0.000 0.508 90 E N -0.148 120.057 120.200 0.009 0.000 2.429 90 E HA 0.665 5.015 4.350 0.000 0.000 0.276 90 E C -1.566 175.039 176.600 0.009 0.000 0.953 90 E CA -1.104 55.303 56.400 0.011 0.000 0.787 90 E CB 2.065 31.770 29.700 0.009 0.000 1.307 90 E HN 0.551 nan 8.360 nan 0.000 0.458 91 T N 1.602 116.163 114.554 0.012 0.000 2.848 91 T HA 0.565 4.915 4.350 0.000 0.000 0.285 91 T C -0.558 174.147 174.700 0.008 0.000 0.995 91 T CA -0.516 61.589 62.100 0.007 0.000 0.970 91 T CB 0.609 69.481 68.868 0.006 0.000 0.976 91 T HN 0.388 nan 8.240 nan 0.000 0.441 92 I N 3.094 123.666 120.570 0.003 0.000 2.582 92 I HA 0.500 4.670 4.170 0.000 0.000 0.292 92 I C -0.802 175.315 176.117 -0.001 0.000 1.066 92 I CA -0.987 60.313 61.300 0.001 0.000 1.053 92 I CB 2.245 40.244 38.000 -0.002 0.000 1.241 92 I HN 0.468 nan 8.210 nan 0.000 0.421 93 I N 4.745 125.314 120.570 -0.002 0.000 2.339 93 I HA 0.323 4.493 4.170 0.000 0.000 0.290 93 I C 0.268 176.380 176.117 -0.008 0.000 0.994 93 I CA -0.357 60.942 61.300 -0.001 0.000 1.191 93 I CB 1.794 39.795 38.000 0.002 0.000 1.343 93 I HN 0.586 nan 8.210 nan 0.000 0.458 94 T N 0.748 115.299 114.554 -0.006 0.000 2.925 94 T HA 0.397 4.747 4.350 0.000 0.000 0.285 94 T C 0.248 174.942 174.700 -0.010 0.000 1.021 94 T CA -0.583 61.511 62.100 -0.010 0.000 1.042 94 T CB 1.621 70.484 68.868 -0.009 0.000 1.037 94 T HN 0.747 nan 8.240 nan 0.000 0.481 95 E N 0.382 120.573 120.200 -0.015 0.000 2.722 95 E HA -0.227 4.123 4.350 0.000 0.000 0.265 95 E C 0.028 176.622 176.600 -0.011 0.000 1.081 95 E CA 0.484 56.875 56.400 -0.015 0.000 0.781 95 E CB -2.064 27.627 29.700 -0.015 0.000 1.372 95 E HN 0.884 nan 8.360 nan 0.000 0.423 96 S N -1.567 114.126 115.700 -0.012 0.000 3.581 96 S HA -0.265 4.205 4.470 0.000 0.000 0.354 96 S C 0.875 175.480 174.600 0.008 0.000 1.059 96 S CA 1.187 59.385 58.200 -0.005 0.000 1.060 96 S CB -1.161 62.035 63.200 -0.006 0.000 0.908 96 S HN 0.566 nan 8.310 nan 0.000 0.475 97 T N 0.119 114.680 114.554 0.011 0.000 3.129 97 T HA 0.414 4.764 4.350 0.000 0.000 0.251 97 T C 0.281 175.010 174.700 0.047 0.000 1.117 97 T CA 0.680 62.793 62.100 0.021 0.000 1.034 97 T CB -0.226 68.652 68.868 0.016 0.000 0.968 97 T HN 0.582 nan 8.240 nan 0.000 0.526 98 M N 0.903 120.530 119.600 0.045 0.000 2.490 98 M HA 0.394 4.874 4.480 0.000 0.000 0.286 98 M C -2.468 173.866 176.300 0.057 0.000 1.185 98 M CA -0.655 54.680 55.300 0.059 0.000 0.912 98 M CB 1.931 34.563 32.600 0.054 0.000 1.744 98 M HN -0.091 nan 8.290 nan 0.000 0.494 99 I N 2.304 122.920 120.570 0.075 0.000 2.447 99 I HA 0.565 4.735 4.170 0.000 0.000 0.287 99 I C 0.547 176.748 176.117 0.140 0.000 1.023 99 I CA -0.438 60.924 61.300 0.103 0.000 1.083 99 I CB 2.237 40.306 38.000 0.115 0.000 1.245 99 I HN 0.953 nan 8.210 nan 0.000 0.434 100 G N 4.345 113.246 108.800 0.167 0.000 4.773 100 G HA2 0.036 3.996 3.960 0.000 0.000 0.269 100 G HA3 0.036 3.996 3.960 0.000 0.000 0.269 100 G C 0.776 175.744 174.900 0.113 0.000 0.992 100 G CA -0.237 44.928 45.100 0.109 0.000 0.775 100 G HN 0.784 nan 8.290 nan 0.000 0.471 101 H N -0.033 119.032 119.070 -0.008 0.000 2.546 101 H HA 0.025 4.581 4.556 -0.000 0.000 0.277 101 H C 0.985 176.304 175.328 -0.015 0.000 1.004 101 H CA 0.417 56.461 56.048 -0.006 0.000 1.231 101 H CB -0.160 29.625 29.762 0.039 0.000 1.382 101 H HN 0.322 nan 8.280 nan 0.000 0.580 102 N N 1.386 119.856 118.700 -0.384 0.000 2.696 102 N HA -0.105 4.635 4.740 0.000 0.000 0.256 102 N C -2.425 172.912 175.510 -0.289 0.000 1.031 102 N CA 0.547 53.423 53.050 -0.290 0.000 0.730 102 N CB -0.747 37.650 38.487 -0.149 0.000 0.894 102 N HN 0.423 nan 8.380 nan 0.000 0.544 103 P HA 0.046 nan 4.420 nan 0.000 0.269 103 P C 0.458 177.694 177.300 -0.107 0.000 1.215 103 P CA -0.118 62.854 63.100 -0.212 0.000 0.780 103 P CB 0.781 32.366 31.700 -0.191 0.000 0.898 104 K N 0.318 120.690 120.400 -0.046 0.000 2.148 104 K HA -0.025 4.295 4.320 0.000 0.000 0.204 104 K C 1.122 177.702 176.600 -0.033 0.000 1.050 104 K CA 1.546 57.814 56.287 -0.032 0.000 0.942 104 K CB -0.728 31.764 32.500 -0.013 0.000 0.724 104 K HN 0.660 nan 8.250 nan 0.000 0.446 105 T N -0.646 113.890 114.554 -0.030 0.000 3.466 105 T HA 0.351 4.701 4.350 0.000 0.000 0.297 105 T C -2.789 171.897 174.700 -0.024 0.000 1.640 105 T CA -2.023 60.062 62.100 -0.026 0.000 1.631 105 T CB 0.970 69.823 68.868 -0.024 0.000 0.928 105 T HN -0.161 nan 8.240 nan 0.000 0.688 106 P HA 0.473 nan 4.420 nan 0.000 0.276 106 P C 0.388 177.681 177.300 -0.011 0.000 1.252 106 P CA -0.001 63.087 63.100 -0.021 0.000 0.802 106 P CB 0.938 32.616 31.700 -0.037 0.000 1.035 107 G N -0.920 107.880 108.800 -0.000 0.000 2.410 107 G HA2 0.555 4.515 3.960 0.000 0.000 0.330 107 G HA3 0.555 4.515 3.960 0.000 0.000 0.330 107 G C 0.252 175.156 174.900 0.006 0.000 1.142 107 G CA -0.120 44.983 45.100 0.005 0.000 0.902 107 G HN 0.798 nan 8.290 nan 0.000 0.491 108 G N -0.167 108.637 108.800 0.007 0.000 2.552 108 G HA2 0.414 4.374 3.960 0.000 0.000 0.265 108 G HA3 0.414 4.374 3.960 0.000 0.000 0.265 108 G C 0.222 175.124 174.900 0.003 0.000 1.234 108 G CA 0.683 45.788 45.100 0.008 0.000 0.944 108 G HN 2.491 nan 8.290 nan 0.000 0.568 109 A N -2.247 120.575 122.820 0.003 0.000 2.567 109 A HA 1.140 5.460 4.320 0.000 0.000 0.291 109 A C 0.784 178.368 177.584 0.001 0.000 1.048 109 A CA 1.254 53.290 52.037 -0.001 0.000 0.661 109 A CB 0.804 19.802 19.000 -0.002 0.000 1.288 109 A HN 3.347 nan 8.150 nan 0.000 0.424 110 G N -1.604 107.194 108.800 -0.003 0.000 2.373 110 G HA2 0.518 4.478 3.960 0.000 0.000 0.634 110 G HA3 0.518 4.478 3.960 0.000 0.000 0.634 110 G C -1.599 173.297 174.900 -0.006 0.000 1.267 110 G CA -0.039 45.059 45.100 -0.004 0.000 1.008 110 G HN 2.223 nan 8.290 nan 0.000 0.497 111 L N 0.653 121.872 121.223 -0.008 0.000 2.381 111 L HA 0.872 5.212 4.340 0.000 0.000 0.274 111 L C 0.395 177.261 176.870 -0.006 0.000 0.988 111 L CA 0.512 55.344 54.840 -0.013 0.000 0.824 111 L CB 1.677 43.721 42.059 -0.025 0.000 1.263 111 L HN 1.691 nan 8.230 nan 0.000 0.410 112 G N 2.280 111.081 108.800 0.001 0.000 2.495 112 G HA2 0.675 4.635 3.960 0.000 0.000 0.318 112 G HA3 0.675 4.635 3.960 0.000 0.000 0.318 112 G C -1.234 173.678 174.900 0.020 0.000 1.257 112 G CA -0.427 44.681 45.100 0.013 0.000 0.962 112 G HN 0.548 nan 8.290 nan 0.000 0.483 113 T N -0.255 114.314 114.554 0.025 0.000 2.876 113 T HA 0.884 5.234 4.350 0.000 0.000 0.289 113 T C 0.152 174.880 174.700 0.046 0.000 1.014 113 T CA 0.052 62.184 62.100 0.054 0.000 0.986 113 T CB 1.952 70.848 68.868 0.048 0.000 1.021 113 T HN 1.442 nan 8.240 nan 0.000 0.458 114 G N 1.030 109.874 108.800 0.073 0.000 2.316 114 G HA2 0.442 4.402 3.960 0.000 0.000 0.296 114 G HA3 0.442 4.402 3.960 0.000 0.000 0.296 114 G C -1.635 173.309 174.900 0.075 0.000 1.399 114 G CA -1.008 44.111 45.100 0.031 0.000 0.833 114 G HN 0.775 nan 8.290 nan 0.000 0.565 115 I N 1.662 122.280 120.570 0.081 0.000 2.496 115 I HA 0.245 4.415 4.170 0.000 0.000 0.285 115 I C 1.296 177.535 176.117 0.203 0.000 1.080 115 I CA -0.313 61.078 61.300 0.152 0.000 1.404 115 I CB 1.396 39.526 38.000 0.217 0.000 1.403 115 I HN 0.597 nan 8.210 nan 0.000 0.539 116 T N 6.176 120.801 114.554 0.120 0.000 2.834 116 T HA 0.553 4.903 4.350 0.000 0.000 0.298 116 T C -0.302 174.436 174.700 0.063 0.000 0.966 116 T CA -0.510 61.642 62.100 0.086 0.000 1.141 116 T CB 0.318 69.216 68.868 0.052 0.000 0.905 116 T HN 0.521 nan 8.240 nan 0.000 0.535 117 I N -0.585 120.000 120.570 0.025 0.000 2.994 117 I HA 0.691 4.861 4.170 0.000 0.000 0.306 117 I C -0.052 176.020 176.117 -0.075 0.000 1.195 117 I CA -1.357 59.914 61.300 -0.048 0.000 1.001 117 I CB 2.368 40.272 38.000 -0.161 0.000 1.244 117 I HN 0.687 nan 8.210 nan 0.000 0.437 118 T N -0.487 114.017 114.554 -0.084 0.000 2.899 118 T HA 0.443 4.793 4.350 0.000 0.000 0.284 118 T C -1.716 172.892 174.700 -0.155 0.000 1.004 118 T CA -1.615 60.422 62.100 -0.104 0.000 1.043 118 T CB 1.052 69.899 68.868 -0.035 0.000 1.013 118 T HN 0.601 nan 8.240 nan 0.000 0.518 119 P HA -0.189 nan 4.420 nan 0.000 0.219 119 P C 1.493 178.726 177.300 -0.112 0.000 1.146 119 P CA 1.221 64.183 63.100 -0.229 0.000 0.808 119 P CB -0.045 31.405 31.700 -0.415 0.000 0.779 120 Q N 0.277 120.063 119.800 -0.024 0.000 2.364 120 Q HA -0.114 4.226 4.340 0.000 0.000 0.207 120 Q C 1.550 177.515 176.000 -0.059 0.000 0.970 120 Q CA 1.075 56.878 55.803 -0.001 0.000 0.888 120 Q CB -0.682 28.085 28.738 0.049 0.000 0.951 120 Q HN 0.329 nan 8.270 nan 0.000 0.469 121 E N 0.941 121.079 120.200 -0.103 0.000 2.358 121 E HA 0.000 4.350 4.350 0.000 0.000 0.195 121 E C 1.870 178.354 176.600 -0.193 0.000 1.010 121 E CA 0.237 56.557 56.400 -0.135 0.000 0.856 121 E CB 0.034 29.638 29.700 -0.160 0.000 0.795 121 E HN 0.400 nan 8.360 nan 0.000 0.504 122 L N 0.452 121.532 121.223 -0.239 0.000 2.191 122 L HA -0.205 4.135 4.340 0.000 0.000 0.212 122 L C 1.933 178.666 176.870 -0.227 0.000 1.103 122 L CA 0.470 55.111 54.840 -0.332 0.000 0.769 122 L CB -0.228 41.578 42.059 -0.421 0.000 0.908 122 L HN 0.177 nan 8.230 nan 0.000 0.438 123 L N -0.665 120.480 121.223 -0.130 0.000 2.093 123 L HA -0.148 4.192 4.340 0.000 0.000 0.208 123 L C 2.480 179.351 176.870 0.001 0.000 1.085 123 L CA 2.202 57.011 54.840 -0.053 0.000 0.755 123 L CB -1.155 40.883 42.059 -0.036 0.000 0.904 123 L HN 0.391 nan 8.230 nan 0.000 0.435 124 T N -4.807 109.739 114.554 -0.014 0.000 3.044 124 T HA 0.217 4.567 4.350 0.000 0.000 0.260 124 T C 0.935 175.652 174.700 0.028 0.000 1.019 124 T CA -0.390 61.717 62.100 0.012 0.000 0.921 124 T CB 0.203 69.069 68.868 -0.003 0.000 1.053 124 T HN -0.083 nan 8.240 nan 0.000 0.533 125 R N 3.132 123.643 120.500 0.018 0.000 2.404 125 R HA 0.508 4.848 4.340 0.000 0.000 0.291 125 R C -2.602 173.817 176.300 0.198 0.000 1.025 125 R CA -2.079 54.041 56.100 0.034 0.000 0.991 125 R CB 0.485 30.652 30.300 -0.222 0.000 1.053 125 R HN 0.138 nan 8.270 nan 0.000 0.479 126 P HA 0.071 nan 4.420 nan 0.000 0.271 126 P C -0.745 176.702 177.300 0.245 0.000 1.216 126 P CA -0.027 63.184 63.100 0.185 0.000 0.771 126 P CB 1.447 33.227 31.700 0.132 0.000 0.864 127 A N 2.564 125.380 122.820 -0.008 0.000 2.238 127 A HA -0.052 4.268 4.320 0.000 0.000 0.208 127 A C 1.182 178.706 177.584 -0.100 0.000 1.177 127 A CA 0.575 52.472 52.037 -0.234 0.000 0.804 127 A CB -0.754 17.735 19.000 -0.852 0.000 0.823 127 A HN 0.567 nan 8.150 nan 0.000 0.482 128 D N -0.350 120.026 120.400 -0.039 0.000 2.340 128 D HA 0.337 4.977 4.640 0.000 0.000 0.220 128 D C 0.485 176.734 176.300 -0.085 0.000 1.039 128 D CA 0.755 54.721 54.000 -0.057 0.000 0.866 128 D CB -0.101 40.676 40.800 -0.037 0.000 0.913 128 D HN 0.288 nan 8.370 nan 0.000 0.523 129 A N 0.991 123.726 122.820 -0.141 0.000 2.365 129 A HA 0.640 4.960 4.320 0.000 0.000 0.318 129 A C -2.791 174.374 177.584 -0.699 0.000 1.091 129 A CA -1.656 50.172 52.037 -0.347 0.000 0.763 129 A CB 1.663 20.465 19.000 -0.330 0.000 1.248 129 A HN -0.072 nan 8.150 nan 0.000 0.442 130 P HA 0.414 nan 4.420 nan 0.000 0.278 130 P C -1.466 175.482 177.300 -0.587 0.000 1.238 130 P CA 0.295 63.149 63.100 -0.411 0.000 0.794 130 P CB 0.383 31.982 31.700 -0.168 0.000 0.955 131 Y N 0.639 120.971 120.300 0.053 0.000 2.477 131 Y HA 0.509 5.059 4.550 0.000 0.000 0.347 131 Y C 0.441 176.358 175.900 0.029 0.000 0.981 131 Y CA -1.085 57.040 58.100 0.041 0.000 1.033 131 Y CB 2.105 40.590 38.460 0.041 0.000 1.245 131 Y HN 0.112 nan 8.280 nan 0.000 0.455 132 I N 4.163 124.850 120.570 0.195 0.000 2.339 132 I HA 0.284 4.454 4.170 0.000 0.000 0.290 132 I C -0.724 175.437 176.117 0.073 0.000 0.994 132 I CA -0.532 60.834 61.300 0.110 0.000 1.191 132 I CB 1.043 39.097 38.000 0.089 0.000 1.343 132 I HN 0.367 nan 8.210 nan 0.000 0.458 133 L N 6.801 128.040 121.223 0.027 0.000 2.349 133 L HA 0.369 4.709 4.340 0.000 0.000 0.275 133 L C -0.376 176.465 176.870 -0.049 0.000 1.115 133 L CA -0.627 54.189 54.840 -0.040 0.000 0.820 133 L CB 1.134 43.141 42.059 -0.086 0.000 1.135 133 L HN 0.298 nan 8.230 nan 0.000 0.445 134 V N 4.551 124.421 119.914 -0.073 0.000 2.334 134 V HA 0.323 4.443 4.120 0.000 0.000 0.281 134 V C -0.068 175.956 176.094 -0.116 0.000 1.016 134 V CA -0.522 61.744 62.300 -0.056 0.000 0.832 134 V CB 1.828 33.640 31.823 -0.020 0.000 0.999 134 V HN 0.441 nan 8.190 nan 0.000 0.439 135 V N 4.601 124.449 119.914 -0.109 0.000 2.376 135 V HA 0.419 4.539 4.120 0.000 0.000 0.287 135 V C 0.497 176.596 176.094 0.009 0.000 1.015 135 V CA -0.451 61.737 62.300 -0.187 0.000 0.834 135 V CB 1.782 33.467 31.823 -0.230 0.000 1.001 135 V HN 0.967 nan 8.190 nan 0.000 0.428 136 S N 3.298 119.085 115.700 0.144 0.000 2.617 136 S HA 0.138 4.608 4.470 0.000 0.000 0.259 136 S C 1.472 176.214 174.600 0.236 0.000 1.301 136 S CA 0.180 58.493 58.200 0.188 0.000 0.984 136 S CB 1.098 64.420 63.200 0.203 0.000 0.954 136 S HN 1.070 nan 8.310 nan 0.000 0.572 137 S N 0.011 115.792 115.700 0.134 0.000 2.547 137 S HA 0.020 4.490 4.470 0.000 0.000 0.235 137 S C 1.694 176.352 174.600 0.097 0.000 0.980 137 S CA 0.361 58.626 58.200 0.107 0.000 0.941 137 S CB -0.996 62.233 63.200 0.048 0.000 0.763 137 S HN 1.077 nan 8.310 nan 0.000 0.532 138 A N 0.502 123.375 122.820 0.089 0.000 2.121 138 A HA 0.298 4.618 4.320 0.000 0.000 0.218 138 A C 0.401 177.841 177.584 -0.240 0.000 1.154 138 A CA 0.275 52.250 52.037 -0.104 0.000 0.679 138 A CB -0.537 18.332 19.000 -0.218 0.000 0.795 138 A HN 0.548 nan 8.150 nan 0.000 0.458 139 F N -0.107 119.846 119.950 0.004 0.000 2.420 139 F HA 0.388 4.916 4.527 0.000 0.000 0.342 139 F C 0.259 176.070 175.800 0.018 0.000 1.113 139 F CA -1.155 56.845 58.000 -0.001 0.000 1.059 139 F CB 0.981 39.979 39.000 -0.004 0.000 1.128 139 F HN 0.069 nan 8.300 nan 0.000 0.475 140 D N 2.201 122.681 120.400 0.134 0.000 2.345 140 D HA 0.055 4.695 4.640 0.000 0.000 0.247 140 D C 1.077 177.415 176.300 0.063 0.000 1.108 140 D CA -0.281 53.773 54.000 0.091 0.000 0.894 140 D CB 0.682 41.466 40.800 -0.026 0.000 1.203 140 D HN 0.393 nan 8.370 nan 0.000 0.430 141 F N 2.660 122.648 119.950 0.064 0.000 2.202 141 F HA -0.045 4.482 4.527 -0.000 0.000 0.301 141 F C 1.798 177.623 175.800 0.041 0.000 1.082 141 F CA 0.996 59.025 58.000 0.049 0.000 1.313 141 F CB -0.896 38.125 39.000 0.034 0.000 1.024 141 F HN 0.295 nan 8.300 nan 0.000 0.495 142 A N 0.401 122.464 122.820 -1.262 0.000 1.968 142 A HA -0.087 4.233 4.320 0.000 0.000 0.217 142 A C 1.902 179.288 177.584 -0.331 0.000 1.169 142 A CA 1.520 53.031 52.037 -0.877 0.000 0.638 142 A CB -0.824 17.619 19.000 -0.928 0.000 0.812 142 A HN 0.439 nan 8.150 nan 0.000 0.446 143 D N 0.129 120.395 120.400 -0.223 0.000 2.123 143 D HA -0.080 4.560 4.640 0.000 0.000 0.200 143 D C 1.869 178.160 176.300 -0.015 0.000 0.976 143 D CA 0.830 54.787 54.000 -0.071 0.000 0.831 143 D CB -0.190 40.610 40.800 -0.000 0.000 0.974 143 D HN 0.306 nan 8.370 nan 0.000 0.469 144 I N 1.498 122.072 120.570 0.007 0.000 2.315 144 I HA -0.161 4.009 4.170 0.000 0.000 0.248 144 I C 2.496 178.601 176.117 -0.020 0.000 1.117 144 I CA 0.535 61.827 61.300 -0.013 0.000 1.404 144 I CB -1.273 36.718 38.000 -0.016 0.000 1.071 144 I HN -0.137 nan 8.210 nan 0.000 0.419 145 A N 0.073 122.886 122.820 -0.011 0.000 1.902 145 A HA -0.229 4.091 4.320 0.000 0.000 0.217 145 A C 2.640 180.216 177.584 -0.012 0.000 1.181 145 A CA 2.214 54.254 52.037 0.005 0.000 0.623 145 A CB -0.820 18.196 19.000 0.026 0.000 0.818 145 A HN 0.421 nan 8.150 nan 0.000 0.443 146 S N -0.685 114.995 115.700 -0.033 0.000 2.355 146 S HA -0.125 4.345 4.470 0.000 0.000 0.222 146 S C 1.933 176.520 174.600 -0.022 0.000 1.031 146 S CA 1.593 59.776 58.200 -0.028 0.000 0.993 146 S CB -0.538 62.637 63.200 -0.040 0.000 0.859 146 S HN 0.302 nan 8.310 nan 0.000 0.453 147 V N 2.187 122.084 119.914 -0.029 0.000 2.287 147 V HA -0.196 3.924 4.120 0.000 0.000 0.248 147 V C 2.295 178.360 176.094 -0.048 0.000 1.053 147 V CA 2.131 64.404 62.300 -0.043 0.000 1.027 147 V CB -0.673 31.116 31.823 -0.056 0.000 0.646 147 V HN 0.519 nan 8.190 nan 0.000 0.447 148 I N 0.219 120.768 120.570 -0.035 0.000 2.179 148 I HA -0.224 3.946 4.170 0.000 0.000 0.242 148 I C 2.407 178.527 176.117 0.005 0.000 1.088 148 I CA 1.512 62.801 61.300 -0.018 0.000 1.357 148 I CB -0.527 37.469 38.000 -0.005 0.000 1.051 148 I HN 0.357 nan 8.210 nan 0.000 0.409 149 N N 1.115 119.819 118.700 0.007 0.000 2.084 149 N HA -0.129 4.611 4.740 0.000 0.000 0.190 149 N C 1.895 177.420 175.510 0.025 0.000 1.030 149 N CA 1.698 54.759 53.050 0.019 0.000 0.849 149 N CB -0.424 38.072 38.487 0.014 0.000 1.012 149 N HN 0.355 nan 8.380 nan 0.000 0.423 150 A N 0.500 123.328 122.820 0.014 0.000 1.898 150 A HA -0.064 4.256 4.320 0.000 0.000 0.216 150 A C 2.496 180.109 177.584 0.048 0.000 1.181 150 A CA 1.672 53.723 52.037 0.023 0.000 0.620 150 A CB -0.734 18.269 19.000 0.005 0.000 0.819 150 A HN 0.257 nan 8.150 nan 0.000 0.442 151 S N -0.138 115.572 115.700 0.017 0.000 2.370 151 S HA -0.120 4.350 4.470 0.000 0.000 0.226 151 S C 1.847 176.566 174.600 0.199 0.000 1.033 151 S CA 1.253 59.477 58.200 0.039 0.000 1.011 151 S CB -0.350 62.783 63.200 -0.110 0.000 0.852 151 S HN 0.418 nan 8.310 nan 0.000 0.457 152 L N 1.952 123.247 121.223 0.120 0.000 2.042 152 L HA -0.058 4.282 4.340 0.000 0.000 0.210 152 L C 2.441 179.373 176.870 0.104 0.000 1.076 152 L CA 1.692 56.602 54.840 0.115 0.000 0.749 152 L CB -0.996 41.105 42.059 0.071 0.000 0.893 152 L HN 0.310 nan 8.230 nan 0.000 0.432 153 R N -0.364 120.188 120.500 0.087 0.000 2.096 153 R HA -0.076 4.264 4.340 0.000 0.000 0.235 153 R C 1.811 178.163 176.300 0.086 0.000 1.127 153 R CA 1.275 57.417 56.100 0.070 0.000 0.968 153 R CB -0.524 29.808 30.300 0.054 0.000 0.861 153 R HN 0.333 nan 8.270 nan 0.000 0.440 154 A N 0.098 123.005 122.820 0.145 0.000 2.252 154 A HA 0.254 4.574 4.320 0.000 0.000 0.207 154 A C 1.335 178.979 177.584 0.100 0.000 1.194 154 A CA 0.860 52.999 52.037 0.170 0.000 0.809 154 A CB -0.164 19.021 19.000 0.309 0.000 0.814 154 A HN 0.475 nan 8.150 nan 0.000 0.482 155 G N -2.458 106.393 108.800 0.084 0.000 2.175 155 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 155 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 155 G C 0.083 174.952 174.900 -0.050 0.000 0.982 155 G CA 0.191 45.280 45.100 -0.019 0.000 0.641 155 G HN 0.442 nan 8.290 nan 0.000 0.527 156 Y N 0.544 120.875 120.300 0.050 0.000 2.330 156 Y HA 0.466 5.016 4.550 -0.000 0.000 0.341 156 Y C 1.399 177.341 175.900 0.070 0.000 1.278 156 Y CA 0.408 58.557 58.100 0.083 0.000 1.453 156 Y CB 0.562 39.083 38.460 0.102 0.000 1.342 156 Y HN 0.173 nan 8.280 nan 0.000 0.590 157 Q N 2.372 122.319 119.800 0.246 0.000 2.721 157 Q HA 0.368 4.708 4.340 0.000 0.000 0.257 157 Q C -1.216 174.872 176.000 0.147 0.000 1.070 157 Q CA -0.089 55.787 55.803 0.122 0.000 0.910 157 Q CB 0.426 29.170 28.738 0.010 0.000 1.163 157 Q HN 0.493 nan 8.270 nan 0.000 0.501 158 I N 1.679 122.343 120.570 0.156 0.000 2.322 158 I HA 0.055 4.225 4.170 0.000 0.000 0.292 158 I C 1.274 177.438 176.117 0.077 0.000 1.060 158 I CA 0.056 61.434 61.300 0.130 0.000 1.309 158 I CB 1.084 39.142 38.000 0.097 0.000 1.415 158 I HN 0.507 nan 8.210 nan 0.000 0.492 159 T N 1.052 115.646 114.554 0.066 0.000 3.040 159 T HA 0.382 4.732 4.350 0.000 0.000 0.250 159 T C 0.610 175.334 174.700 0.039 0.000 1.058 159 T CA -0.067 62.058 62.100 0.041 0.000 0.988 159 T CB 0.491 69.376 68.868 0.027 0.000 0.993 159 T HN 0.701 nan 8.240 nan 0.000 0.519 160 G N -0.009 108.819 108.800 0.047 0.000 2.601 160 G HA2 0.536 4.496 3.960 0.000 0.000 0.291 160 G HA3 0.536 4.496 3.960 0.000 0.000 0.291 160 G C -2.144 172.777 174.900 0.035 0.000 1.456 160 G CA -0.597 44.527 45.100 0.039 0.000 0.804 160 G HN 0.269 nan 8.290 nan 0.000 0.499 161 V N 0.495 120.426 119.914 0.027 0.000 2.760 161 V HA 0.598 4.718 4.120 0.000 0.000 0.309 161 V C -0.551 175.556 176.094 0.022 0.000 1.077 161 V CA -0.619 61.689 62.300 0.014 0.000 0.910 161 V CB 1.902 33.728 31.823 0.006 0.000 1.008 161 V HN 0.693 nan 8.190 nan 0.000 0.424 162 I N 5.034 125.613 120.570 0.015 0.000 2.389 162 I HA 0.502 4.672 4.170 0.000 0.000 0.288 162 I C -0.758 175.370 176.117 0.019 0.000 0.999 162 I CA -0.336 60.982 61.300 0.031 0.000 1.129 162 I CB 1.576 39.598 38.000 0.037 0.000 1.288 162 I HN 0.317 nan 8.210 nan 0.000 0.444 163 L N 5.437 126.683 121.223 0.037 0.000 2.331 163 L HA 0.399 4.739 4.340 0.000 0.000 0.275 163 L C 1.051 177.947 176.870 0.044 0.000 1.022 163 L CA -0.388 54.475 54.840 0.038 0.000 0.812 163 L CB 2.030 44.120 42.059 0.050 0.000 1.257 163 L HN 0.652 nan 8.230 nan 0.000 0.435 164 Q N 1.602 121.427 119.800 0.042 0.000 2.096 164 Q HA 0.057 4.397 4.340 0.000 0.000 0.197 164 Q C 0.489 176.506 176.000 0.028 0.000 0.964 164 Q CA 0.804 56.622 55.803 0.025 0.000 0.838 164 Q CB 0.441 29.194 28.738 0.025 0.000 0.906 164 Q HN 0.529 nan 8.270 nan 0.000 0.444 165 R N 0.889 121.418 120.500 0.047 0.000 2.583 165 R HA 0.076 4.416 4.340 0.000 0.000 0.268 165 R C -0.457 175.866 176.300 0.040 0.000 1.101 165 R CA -0.265 55.860 56.100 0.042 0.000 1.180 165 R CB 0.359 30.696 30.300 0.062 0.000 1.128 165 R HN 0.016 nan 8.270 nan 0.000 0.568 166 D N 0.741 121.155 120.400 0.024 0.000 2.688 166 D HA 0.028 4.668 4.640 0.000 0.000 0.228 166 D C -0.618 175.674 176.300 -0.014 0.000 1.116 166 D CA 0.267 54.274 54.000 0.011 0.000 1.023 166 D CB -0.079 40.721 40.800 0.001 0.000 1.100 166 D HN 0.300 nan 8.370 nan 0.000 0.487 167 D N 0.161 120.564 120.400 0.004 0.000 2.535 167 D HA 0.150 4.790 4.640 0.000 0.000 0.229 167 D C 1.900 178.203 176.300 0.005 0.000 1.238 167 D CA -0.093 53.897 54.000 -0.016 0.000 0.824 167 D CB 0.621 41.463 40.800 0.071 0.000 1.045 167 D HN 0.427 nan 8.370 nan 0.000 0.500 168 G N 0.671 109.476 108.800 0.008 0.000 2.459 168 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 168 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 168 G C 1.664 176.568 174.900 0.007 0.000 1.183 168 G CA 0.729 45.839 45.100 0.016 0.000 0.776 168 G HN 0.256 nan 8.290 nan 0.000 0.552 169 V N 0.969 120.873 119.914 -0.017 0.000 2.427 169 V HA -0.085 4.035 4.120 0.000 0.000 0.248 169 V C 2.931 179.012 176.094 -0.022 0.000 1.051 169 V CA 1.309 63.597 62.300 -0.019 0.000 1.048 169 V CB -0.394 31.409 31.823 -0.033 0.000 0.666 169 V HN 0.338 nan 8.190 nan 0.000 0.456 170 L N -0.476 120.704 121.223 -0.071 0.000 2.012 170 L HA -0.175 4.165 4.340 0.000 0.000 0.210 170 L C 2.474 179.408 176.870 0.107 0.000 1.073 170 L CA 1.318 56.090 54.840 -0.113 0.000 0.748 170 L CB -0.724 41.037 42.059 -0.497 0.000 0.891 170 L HN 0.205 nan 8.230 nan 0.000 0.431 171 V N -1.208 118.793 119.914 0.145 0.000 2.307 171 V HA -0.277 3.843 4.120 0.000 0.000 0.245 171 V C 2.677 178.834 176.094 0.104 0.000 1.045 171 V CA 1.949 64.356 62.300 0.178 0.000 1.024 171 V CB -0.360 31.544 31.823 0.135 0.000 0.651 171 V HN 0.438 nan 8.190 nan 0.000 0.449 172 S N 0.622 116.360 115.700 0.064 0.000 2.370 172 S HA -0.249 4.221 4.470 0.000 0.000 0.226 172 S C 1.880 176.508 174.600 0.046 0.000 1.033 172 S CA 1.927 60.154 58.200 0.044 0.000 1.011 172 S CB -0.540 62.676 63.200 0.027 0.000 0.852 172 S HN 0.645 nan 8.310 nan 0.000 0.457 173 N N 0.848 119.577 118.700 0.049 0.000 2.348 173 N HA -0.017 4.723 4.740 0.000 0.000 0.185 173 N C 1.372 176.921 175.510 0.064 0.000 1.019 173 N CA 0.813 53.892 53.050 0.048 0.000 0.880 173 N CB -0.227 38.285 38.487 0.042 0.000 0.965 173 N HN 0.462 nan 8.380 nan 0.000 0.437 174 R N -0.577 119.974 120.500 0.085 0.000 2.432 174 R HA 0.318 4.658 4.340 0.000 0.000 0.260 174 R C -0.141 176.191 176.300 0.054 0.000 0.935 174 R CA -0.149 55.999 56.100 0.081 0.000 1.080 174 R CB 0.563 30.933 30.300 0.117 0.000 1.155 174 R HN 0.052 nan 8.270 nan 0.000 0.531 175 L N 0.606 121.858 121.223 0.048 0.000 2.357 175 L HA 0.213 4.553 4.340 0.000 0.000 0.273 175 L C 1.078 177.966 176.870 0.030 0.000 1.080 175 L CA -0.163 54.699 54.840 0.036 0.000 0.803 175 L CB 1.452 43.532 42.059 0.035 0.000 1.174 175 L HN 0.133 nan 8.230 nan 0.000 0.443 176 E N 0.906 121.122 120.200 0.027 0.000 2.158 176 E HA -0.075 4.275 4.350 0.000 0.000 0.191 176 E C -0.056 176.558 176.600 0.023 0.000 0.982 176 E CA 0.858 57.273 56.400 0.024 0.000 0.823 176 E CB 0.349 30.063 29.700 0.023 0.000 0.766 176 E HN 0.232 nan 8.360 nan 0.000 0.468 177 K N 1.406 121.820 120.400 0.024 0.000 2.345 177 K HA 0.219 4.539 4.320 0.000 0.000 0.255 177 K C -2.675 173.938 176.600 0.023 0.000 0.934 177 K CA -2.776 53.525 56.287 0.023 0.000 0.801 177 K CB 1.337 33.852 32.500 0.024 0.000 1.137 177 K HN -0.222 nan 8.250 nan 0.000 0.424 178 P HA 0.125 nan 4.420 nan 0.000 0.268 178 P C -0.935 176.376 177.300 0.018 0.000 1.205 178 P CA -0.042 63.069 63.100 0.018 0.000 0.771 178 P CB 0.657 32.365 31.700 0.014 0.000 0.858 179 L N 2.955 124.190 121.223 0.019 0.000 2.465 179 L HA 0.443 4.783 4.340 0.000 0.000 0.257 179 L C -2.606 174.274 176.870 0.017 0.000 0.988 179 L CA -2.511 52.341 54.840 0.019 0.000 0.827 179 L CB 3.027 45.100 42.059 0.024 0.000 1.397 179 L HN 0.198 nan 8.230 nan 0.000 0.410 180 P HA 0.307 nan 4.420 nan 0.000 0.281 180 P C -1.053 176.258 177.300 0.019 0.000 1.252 180 P CA 0.070 63.178 63.100 0.013 0.000 0.778 180 P CB 0.914 32.620 31.700 0.011 0.000 0.895 181 I N 3.451 124.032 120.570 0.018 0.000 2.439 181 I HA 0.215 4.385 4.170 0.000 0.000 0.283 181 I C -0.146 175.987 176.117 0.026 0.000 1.023 181 I CA -1.104 60.210 61.300 0.025 0.000 1.100 181 I CB 2.180 40.196 38.000 0.027 0.000 1.238 181 I HN -0.027 nan 8.210 nan 0.000 0.445 182 V N 5.974 125.911 119.914 0.040 0.000 2.406 182 V HA 0.235 4.355 4.120 0.000 0.000 0.272 182 V C -0.087 176.059 176.094 0.087 0.000 1.043 182 V CA -0.279 62.056 62.300 0.058 0.000 0.915 182 V CB 1.144 33.018 31.823 0.085 0.000 0.988 182 V HN 0.778 nan 8.190 nan 0.000 0.466 183 D N 2.755 123.212 120.400 0.095 0.000 2.650 183 D HA 0.317 4.957 4.640 0.000 0.000 0.255 183 D C 0.124 176.539 176.300 0.192 0.000 1.135 183 D CA -1.004 53.060 54.000 0.106 0.000 1.099 183 D CB 0.693 41.530 40.800 0.062 0.000 1.273 183 D HN 0.530 nan 8.370 nan 0.000 0.628 184 E N -1.600 118.677 120.200 0.129 0.000 2.476 184 E HA -0.115 4.235 4.350 0.000 0.000 0.251 184 E C -0.687 175.951 176.600 0.063 0.000 1.130 184 E CA 0.162 56.637 56.400 0.125 0.000 0.736 184 E CB -1.436 28.370 29.700 0.177 0.000 1.298 184 E HN 0.246 nan 8.360 nan 0.000 0.400 185 V N 1.895 121.811 119.914 0.004 0.000 2.356 185 V HA 0.039 4.159 4.120 0.000 0.000 0.258 185 V C 1.628 177.664 176.094 -0.097 0.000 1.065 185 V CA 0.134 62.367 62.300 -0.113 0.000 0.935 185 V CB 1.039 32.839 31.823 -0.039 0.000 1.061 185 V HN 0.356 nan 8.190 nan 0.000 0.484 186 L N 4.412 125.543 121.223 -0.153 0.000 1.994 186 L HA -0.084 4.256 4.340 0.000 0.000 0.208 186 L C 0.848 177.511 176.870 -0.345 0.000 1.071 186 L CA 1.901 56.580 54.840 -0.268 0.000 0.745 186 L CB 0.065 41.898 42.059 -0.378 0.000 0.892 186 L HN 0.591 nan 8.230 nan 0.000 0.431 187 Y N -0.421 119.856 120.300 -0.038 0.000 2.903 187 Y HA 0.044 4.594 4.550 0.000 0.000 0.387 187 Y C 1.198 177.089 175.900 -0.015 0.000 1.189 187 Y CA -0.327 57.761 58.100 -0.020 0.000 1.856 187 Y CB 0.006 38.453 38.460 -0.021 0.000 1.917 187 Y HN 0.133 nan 8.280 nan 0.000 0.448 188 I N 1.453 122.056 120.570 0.055 0.000 2.335 188 I HA -0.296 3.874 4.170 0.000 0.000 0.251 188 I C 2.012 178.167 176.117 0.064 0.000 1.129 188 I CA 1.742 63.071 61.300 0.048 0.000 1.402 188 I CB -0.026 37.993 38.000 0.031 0.000 1.069 188 I HN 0.462 nan 8.210 nan 0.000 0.424 189 D N -0.431 120.016 120.400 0.078 0.000 2.349 189 D HA -0.102 4.538 4.640 0.000 0.000 0.224 189 D C 1.762 178.102 176.300 0.067 0.000 1.029 189 D CA 0.447 54.489 54.000 0.069 0.000 0.879 189 D CB -0.428 40.413 40.800 0.068 0.000 0.906 189 D HN 0.389 nan 8.370 nan 0.000 0.528 190 R N -0.035 120.514 120.500 0.082 0.000 2.334 190 R HA 0.298 4.638 4.340 0.000 0.000 0.212 190 R C 0.614 176.936 176.300 0.037 0.000 0.897 190 R CA -0.304 55.829 56.100 0.054 0.000 1.056 190 R CB 0.659 30.990 30.300 0.051 0.000 1.046 190 R HN 0.193 nan 8.270 nan 0.000 0.513 191 I N 4.764 125.360 120.570 0.043 0.000 2.662 191 I HA 0.002 4.173 4.170 0.000 0.000 0.285 191 I C -1.841 174.290 176.117 0.023 0.000 1.161 191 I CA -1.526 59.794 61.300 0.033 0.000 1.415 191 I CB 0.393 38.415 38.000 0.036 0.000 1.385 191 I HN -0.224 nan 8.210 nan 0.000 0.552 192 P HA 0.127 nan 4.420 nan 0.000 0.267 192 P C -0.701 176.605 177.300 0.011 0.000 1.209 192 P CA 0.119 63.224 63.100 0.008 0.000 0.763 192 P CB 0.567 32.265 31.700 -0.004 0.000 0.816 193 L N 2.050 123.280 121.223 0.011 0.000 2.343 193 L HA 0.530 4.870 4.340 0.000 0.000 0.275 193 L C 1.593 178.471 176.870 0.014 0.000 1.056 193 L CA 0.047 54.895 54.840 0.014 0.000 0.804 193 L CB 0.823 42.889 42.059 0.010 0.000 1.203 193 L HN 0.723 nan 8.230 nan 0.000 0.440 194 G N 2.033 110.848 108.800 0.026 0.000 2.176 194 G HA2 -0.244 3.716 3.960 0.000 0.000 0.253 194 G HA3 -0.244 3.716 3.960 0.000 0.000 0.253 194 G C -0.039 174.875 174.900 0.024 0.000 0.979 194 G CA -0.135 44.984 45.100 0.033 0.000 0.641 194 G HN 0.432 nan 8.290 nan 0.000 0.530 195 M N 0.279 119.885 119.600 0.010 0.000 2.598 195 M HA 0.539 5.019 4.480 0.000 0.000 0.317 195 M C 0.662 176.949 176.300 -0.023 0.000 1.201 195 M CA -0.859 54.426 55.300 -0.025 0.000 0.971 195 M CB 1.885 34.452 32.600 -0.055 0.000 1.657 195 M HN 0.061 nan 8.290 nan 0.000 0.470 196 L N 2.028 123.206 121.223 -0.075 0.000 2.490 196 L HA 0.402 4.742 4.340 0.000 0.000 0.274 196 L C -0.300 176.536 176.870 -0.056 0.000 1.201 196 L CA 0.017 54.823 54.840 -0.056 0.000 0.869 196 L CB 0.486 42.473 42.059 -0.120 0.000 1.123 196 L HN 0.924 nan 8.230 nan 0.000 0.484 197 A N 4.252 127.153 122.820 0.134 0.000 2.532 197 A HA 0.926 5.246 4.320 0.000 0.000 0.290 197 A C -1.352 176.441 177.584 0.348 0.000 1.143 197 A CA -0.192 51.997 52.037 0.254 0.000 0.728 197 A CB 1.821 20.907 19.000 0.143 0.000 1.317 197 A HN 0.846 nan 8.150 nan 0.000 0.414 198 A N 0.117 123.120 122.820 0.305 0.000 2.449 198 A HA 0.795 5.115 4.320 0.000 0.000 0.302 198 A C -1.113 176.510 177.584 0.065 0.000 1.048 198 A CA -0.321 51.780 52.037 0.106 0.000 0.708 198 A CB 1.050 19.982 19.000 -0.112 0.000 1.274 198 A HN 1.676 nan 8.150 nan 0.000 0.410 199 I N 0.607 121.196 120.570 0.033 0.000 2.619 199 I HA 0.672 4.842 4.170 0.000 0.000 0.292 199 I C -1.040 175.081 176.117 0.006 0.000 1.100 199 I CA -0.285 61.032 61.300 0.029 0.000 1.043 199 I CB 1.900 39.925 38.000 0.042 0.000 1.239 199 I HN 0.850 nan 8.210 nan 0.000 0.420 200 E N 5.953 126.153 120.200 -0.000 0.000 2.308 200 E HA 0.645 4.995 4.350 0.000 0.000 0.275 200 E C -2.075 174.518 176.600 -0.011 0.000 0.890 200 E CA -0.641 55.752 56.400 -0.011 0.000 0.754 200 E CB 2.560 32.245 29.700 -0.025 0.000 1.207 200 E HN 0.423 nan 8.360 nan 0.000 0.426 201 V N 2.146 122.054 119.914 -0.011 0.000 2.709 201 V HA 0.752 4.872 4.120 0.000 0.000 0.308 201 V C -0.523 175.562 176.094 -0.016 0.000 1.062 201 V CA -0.678 61.613 62.300 -0.015 0.000 0.901 201 V CB 1.616 33.434 31.823 -0.009 0.000 1.003 201 V HN 0.799 nan 8.190 nan 0.000 0.425 202 A N 3.396 126.204 122.820 -0.020 0.000 2.325 202 A HA 0.868 5.188 4.320 0.000 0.000 0.333 202 A C -0.074 177.500 177.584 -0.016 0.000 1.155 202 A CA -0.557 51.469 52.037 -0.017 0.000 0.814 202 A CB 1.558 20.546 19.000 -0.020 0.000 1.206 202 A HN 1.521 nan 8.150 nan 0.000 0.482 203 V N -0.131 119.776 119.914 -0.012 0.000 2.999 203 V HA 0.331 4.451 4.120 0.000 0.000 0.307 203 V C -2.248 173.839 176.094 -0.012 0.000 1.084 203 V CA -1.520 60.774 62.300 -0.010 0.000 1.155 203 V CB -0.365 31.454 31.823 -0.007 0.000 0.975 203 V HN 0.767 nan 8.190 nan 0.000 0.490 204 P HA 0.191 nan 4.420 nan 0.000 0.265 204 P C 0.946 178.241 177.300 -0.010 0.000 1.187 204 P CA 1.511 64.603 63.100 -0.013 0.000 0.766 204 P CB 0.617 32.310 31.700 -0.011 0.000 0.820 205 G N 1.150 109.943 108.800 -0.010 0.000 2.179 205 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 205 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 205 G C 0.102 174.996 174.900 -0.009 0.000 0.977 205 G CA 0.218 45.313 45.100 -0.008 0.000 0.641 205 G HN 0.621 nan 8.290 nan 0.000 0.533 206 K N -0.770 119.623 120.400 -0.012 0.000 2.409 206 K HA 0.786 5.106 4.320 0.000 0.000 0.252 206 K C -0.133 176.457 176.600 -0.017 0.000 1.036 206 K CA -0.389 55.891 56.287 -0.012 0.000 0.871 206 K CB 2.911 35.404 32.500 -0.011 0.000 1.374 206 K HN 0.692 nan 8.250 nan 0.000 0.459 207 V N -1.860 118.043 119.914 -0.017 0.000 3.074 207 V HA 0.590 4.710 4.120 0.000 0.000 0.314 207 V C 0.090 176.171 176.094 -0.022 0.000 1.117 207 V CA -1.215 61.072 62.300 -0.022 0.000 1.014 207 V CB 1.295 33.104 31.823 -0.023 0.000 1.057 207 V HN 0.812 nan 8.190 nan 0.000 0.438 208 I N 0.239 120.793 120.570 -0.026 0.000 2.882 208 I HA 0.513 4.683 4.170 0.000 0.000 0.286 208 I C 0.646 176.748 176.117 -0.025 0.000 1.139 208 I CA 0.196 61.480 61.300 -0.026 0.000 1.379 208 I CB 0.897 38.879 38.000 -0.030 0.000 1.410 208 I HN 1.032 nan 8.210 nan 0.000 0.594 209 E N 1.156 121.341 120.200 -0.025 0.000 2.712 209 E HA 0.112 4.462 4.350 0.000 0.000 0.221 209 E C 0.552 177.138 176.600 -0.024 0.000 0.943 209 E CA -0.149 56.239 56.400 -0.021 0.000 1.259 209 E CB 0.512 30.203 29.700 -0.014 0.000 1.167 209 E HN 0.752 nan 8.360 nan 0.000 0.569 210 T N 1.440 115.973 114.554 -0.035 0.000 2.980 210 T HA 0.178 4.528 4.350 0.000 0.000 0.239 210 T C 1.707 176.368 174.700 -0.066 0.000 1.011 210 T CA 0.391 62.463 62.100 -0.047 0.000 1.171 210 T CB 0.010 68.842 68.868 -0.060 0.000 0.873 210 T HN 0.046 nan 8.240 nan 0.000 0.431 211 L N 2.275 123.455 121.223 -0.071 0.000 2.551 211 L HA 0.075 4.415 4.340 0.000 0.000 0.228 211 L C 2.093 178.927 176.870 -0.060 0.000 1.153 211 L CA 0.677 55.469 54.840 -0.080 0.000 0.851 211 L CB -0.498 41.521 42.059 -0.067 0.000 0.959 211 L HN 0.329 nan 8.230 nan 0.000 0.451 212 S N -2.007 113.663 115.700 -0.051 0.000 2.577 212 S HA 0.073 4.543 4.470 0.000 0.000 0.219 212 S C 0.470 175.038 174.600 -0.053 0.000 0.962 212 S CA -0.525 57.647 58.200 -0.047 0.000 0.921 212 S CB -0.249 62.928 63.200 -0.039 0.000 0.789 212 S HN 0.351 nan 8.310 nan 0.000 0.497 213 N N 2.021 120.686 118.700 -0.059 0.000 2.399 213 N HA 0.424 5.164 4.740 0.000 0.000 0.280 213 N C -2.044 173.398 175.510 -0.113 0.000 1.008 213 N CA -2.411 50.597 53.050 -0.069 0.000 0.894 213 N CB 2.158 40.636 38.487 -0.015 0.000 1.273 213 N HN -0.139 nan 8.380 nan 0.000 0.486 214 P HA -0.175 nan 4.420 nan 0.000 0.216 214 P C 0.767 177.937 177.300 -0.216 0.000 1.150 214 P CA 1.570 64.514 63.100 -0.261 0.000 0.843 214 P CB 0.041 31.497 31.700 -0.407 0.000 0.787 215 Y N -0.273 120.012 120.300 -0.025 0.000 2.439 215 Y HA 0.018 4.568 4.550 -0.000 0.000 0.292 215 Y C 2.855 178.727 175.900 -0.046 0.000 1.130 215 Y CA 0.551 58.635 58.100 -0.027 0.000 1.254 215 Y CB -0.995 37.452 38.460 -0.021 0.000 1.000 215 Y HN 0.008 nan 8.280 nan 0.000 0.554 216 G N 0.346 109.178 108.800 0.054 0.000 2.394 216 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 216 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 216 G C 1.555 176.395 174.900 -0.100 0.000 1.165 216 G CA 0.703 45.792 45.100 -0.018 0.000 0.784 216 G HN 0.361 nan 8.290 nan 0.000 0.535 217 I N 1.445 121.941 120.570 -0.123 0.000 2.286 217 I HA -0.155 4.015 4.170 0.000 0.000 0.248 217 I C 3.233 179.258 176.117 -0.152 0.000 1.115 217 I CA 0.901 62.069 61.300 -0.220 0.000 1.392 217 I CB -0.160 37.767 38.000 -0.123 0.000 1.065 217 I HN 0.236 nan 8.210 nan 0.000 0.418 218 A N 0.343 123.150 122.820 -0.021 0.000 1.972 218 A HA -0.171 4.149 4.320 0.000 0.000 0.219 218 A C 2.365 179.969 177.584 0.033 0.000 1.169 218 A CA 2.220 54.289 52.037 0.054 0.000 0.635 218 A CB -0.890 18.184 19.000 0.123 0.000 0.810 218 A HN 0.368 nan 8.150 nan 0.000 0.446 219 T N -0.072 114.479 114.554 -0.005 0.000 2.701 219 T HA -0.115 4.235 4.350 0.000 0.000 0.263 219 T C 2.036 176.707 174.700 -0.048 0.000 1.040 219 T CA 2.087 64.177 62.100 -0.016 0.000 1.147 219 T CB -0.675 68.180 68.868 -0.022 0.000 0.865 219 T HN 0.572 nan 8.240 nan 0.000 0.426 220 V N -1.266 118.550 119.914 -0.162 0.000 2.453 220 V HA 0.177 4.297 4.120 0.000 0.000 0.247 220 V C 0.752 176.810 176.094 -0.059 0.000 1.048 220 V CA 0.879 63.053 62.300 -0.211 0.000 1.049 220 V CB -0.995 30.565 31.823 -0.438 0.000 0.672 220 V HN 0.400 nan 8.190 nan 0.000 0.457 221 F N 1.803 121.760 119.950 0.012 0.000 2.388 221 F HA 0.411 4.938 4.527 -0.000 0.000 0.358 221 F C 0.860 176.669 175.800 0.015 0.000 1.122 221 F CA -0.822 57.184 58.000 0.011 0.000 1.056 221 F CB 0.672 39.678 39.000 0.010 0.000 1.155 221 F HN -0.020 nan 8.300 nan 0.000 0.461 222 N N 6.070 124.882 118.700 0.188 0.000 2.657 222 N HA 0.008 4.748 4.740 0.000 0.000 0.308 222 N C -0.632 174.939 175.510 0.102 0.000 1.212 222 N CA -0.085 53.029 53.050 0.107 0.000 1.157 222 N CB 0.036 38.567 38.487 0.074 0.000 1.462 222 N HN 0.588 nan 8.380 nan 0.000 0.509 223 L N 1.653 122.946 121.223 0.116 0.000 2.371 223 L HA 0.153 4.493 4.340 0.000 0.000 0.272 223 L C 1.193 178.110 176.870 0.078 0.000 1.124 223 L CA -0.666 54.237 54.840 0.105 0.000 0.816 223 L CB 1.231 43.364 42.059 0.122 0.000 1.129 223 L HN 0.345 nan 8.230 nan 0.000 0.448 224 S N 2.393 118.130 115.700 0.062 0.000 2.624 224 S HA 0.264 4.734 4.470 0.000 0.000 0.263 224 S C -1.693 172.944 174.600 0.061 0.000 1.287 224 S CA -1.095 57.137 58.200 0.052 0.000 0.990 224 S CB 0.803 64.026 63.200 0.039 0.000 0.950 224 S HN 0.503 nan 8.310 nan 0.000 0.561 225 P HA -0.060 nan 4.420 nan 0.000 0.220 225 P C 1.073 178.405 177.300 0.053 0.000 1.148 225 P CA 1.094 64.237 63.100 0.072 0.000 0.803 225 P CB 0.078 31.818 31.700 0.066 0.000 0.782 226 E N 0.605 120.829 120.200 0.039 0.000 2.047 226 E HA -0.156 4.194 4.350 0.000 0.000 0.191 226 E C 2.060 178.676 176.600 0.028 0.000 0.987 226 E CA 1.204 57.621 56.400 0.029 0.000 0.799 226 E CB -0.568 29.145 29.700 0.023 0.000 0.752 226 E HN 0.301 nan 8.360 nan 0.000 0.449 227 E N -0.820 119.401 120.200 0.035 0.000 2.153 227 E HA -0.141 4.209 4.350 0.000 0.000 0.194 227 E C 1.895 178.519 176.600 0.040 0.000 0.988 227 E CA 1.515 57.938 56.400 0.039 0.000 0.811 227 E CB -0.032 29.699 29.700 0.050 0.000 0.746 227 E HN 0.217 nan 8.360 nan 0.000 0.466 228 T N 0.904 115.484 114.554 0.043 0.000 2.777 228 T HA -0.143 4.207 4.350 0.000 0.000 0.266 228 T C 1.776 176.469 174.700 -0.012 0.000 1.040 228 T CA 1.073 63.188 62.100 0.024 0.000 1.141 228 T CB -0.073 68.826 68.868 0.052 0.000 0.868 228 T HN 0.066 nan 8.240 nan 0.000 0.444 229 K N 1.055 121.455 120.400 0.000 0.000 2.063 229 K HA -0.117 4.203 4.320 0.000 0.000 0.208 229 K C 2.106 178.698 176.600 -0.013 0.000 1.048 229 K CA 1.217 57.497 56.287 -0.012 0.000 0.928 229 K CB -0.050 32.452 32.500 0.004 0.000 0.713 229 K HN 0.145 nan 8.250 nan 0.000 0.442 230 N N 0.886 119.586 118.700 0.000 0.000 2.289 230 N HA -0.142 4.598 4.740 0.000 0.000 0.184 230 N C 1.443 176.953 175.510 0.001 0.000 1.016 230 N CA 1.220 54.272 53.050 0.003 0.000 0.872 230 N CB -0.118 38.376 38.487 0.011 0.000 0.973 230 N HN 0.381 nan 8.380 nan 0.000 0.433 231 I N -2.934 117.636 120.570 -0.000 0.000 3.928 231 I HA 0.167 4.337 4.170 0.000 0.000 0.335 231 I C 1.495 177.595 176.117 -0.029 0.000 1.325 231 I CA -0.035 61.265 61.300 0.001 0.000 1.107 231 I CB -0.440 37.577 38.000 0.030 0.000 1.014 231 I HN -0.310 nan 8.210 nan 0.000 0.400 232 V N 3.020 122.906 119.914 -0.048 0.000 2.282 232 V HA -0.150 3.970 4.120 0.000 0.000 0.249 232 V C 0.150 176.213 176.094 -0.052 0.000 1.057 232 V CA 2.675 64.933 62.300 -0.070 0.000 1.032 232 V CB -1.835 29.945 31.823 -0.071 0.000 0.645 232 V HN 0.427 nan 8.190 nan 0.000 0.447 233 P HA -0.154 nan 4.420 nan 0.000 0.223 233 P C 1.791 179.077 177.300 -0.024 0.000 1.151 233 P CA 1.449 64.533 63.100 -0.027 0.000 0.787 233 P CB -0.055 31.634 31.700 -0.019 0.000 0.788 234 M N 0.101 119.690 119.600 -0.017 0.000 2.086 234 M HA -0.096 4.384 4.480 0.000 0.000 0.261 234 M C 2.098 178.386 176.300 -0.021 0.000 1.067 234 M CA 2.171 57.465 55.300 -0.009 0.000 1.116 234 M CB -0.506 32.100 32.600 0.010 0.000 1.348 234 M HN -0.092 nan 8.290 nan 0.000 0.407 235 A N 0.246 123.044 122.820 -0.036 0.000 1.902 235 A HA -0.212 4.108 4.320 0.000 0.000 0.217 235 A C 2.088 179.643 177.584 -0.049 0.000 1.181 235 A CA 2.004 54.011 52.037 -0.050 0.000 0.623 235 A CB -0.727 18.227 19.000 -0.077 0.000 0.818 235 A HN 0.603 nan 8.150 nan 0.000 0.443 236 R N -0.069 120.402 120.500 -0.048 0.000 2.081 236 R HA -0.060 4.280 4.340 0.000 0.000 0.235 236 R C 2.140 178.417 176.300 -0.040 0.000 1.131 236 R CA 1.652 57.726 56.100 -0.044 0.000 0.960 236 R CB -0.564 29.712 30.300 -0.040 0.000 0.856 236 R HN 0.395 nan 8.270 nan 0.000 0.436 237 A N 0.223 123.022 122.820 -0.036 0.000 2.076 237 A HA -0.093 4.227 4.320 0.000 0.000 0.220 237 A C 1.902 179.459 177.584 -0.045 0.000 1.160 237 A CA 1.258 53.271 52.037 -0.040 0.000 0.653 237 A CB -0.376 18.605 19.000 -0.030 0.000 0.801 237 A HN 0.393 nan 8.150 nan 0.000 0.455 238 L N -0.568 120.631 121.223 -0.040 0.000 2.585 238 L HA 0.262 4.602 4.340 0.000 0.000 0.226 238 L C 0.167 177.011 176.870 -0.043 0.000 1.113 238 L CA -0.384 54.432 54.840 -0.040 0.000 0.876 238 L CB -0.090 41.950 42.059 -0.031 0.000 1.072 238 L HN 0.240 nan 8.230 nan 0.000 0.468 239 I N 1.223 121.767 120.570 -0.043 0.000 2.741 239 I HA -0.051 4.119 4.170 0.000 0.000 0.288 239 I C 1.447 177.540 176.117 -0.040 0.000 1.192 239 I CA 1.132 62.408 61.300 -0.039 0.000 1.426 239 I CB 0.364 38.343 38.000 -0.035 0.000 1.367 239 I HN 0.402 nan 8.210 nan 0.000 0.563 240 G N 4.186 112.964 108.800 -0.036 0.000 2.195 240 G HA2 -0.261 3.699 3.960 0.000 0.000 0.246 240 G HA3 -0.261 3.699 3.960 0.000 0.000 0.246 240 G C 0.265 175.140 174.900 -0.042 0.000 0.984 240 G CA -0.372 44.707 45.100 -0.036 0.000 0.633 240 G HN 0.581 nan 8.290 nan 0.000 0.525 241 N N 0.069 118.739 118.700 -0.048 0.000 2.479 241 N HA 0.432 5.172 4.740 0.000 0.000 0.257 241 N C 1.450 176.931 175.510 -0.049 0.000 1.232 241 N CA -0.130 52.886 53.050 -0.057 0.000 0.920 241 N CB 0.404 38.856 38.487 -0.058 0.000 1.105 241 N HN 0.330 nan 8.380 nan 0.000 0.444 242 R N -0.253 120.213 120.500 -0.056 0.000 2.246 242 R HA 0.090 4.430 4.340 0.000 0.000 0.199 242 R C -0.123 176.147 176.300 -0.050 0.000 0.984 242 R CA 0.397 56.468 56.100 -0.048 0.000 1.015 242 R CB 0.105 30.375 30.300 -0.049 0.000 0.930 242 R HN 0.704 nan 8.270 nan 0.000 0.475 243 S N -1.097 114.565 115.700 -0.063 0.000 2.550 243 S HA 0.806 5.276 4.470 0.000 0.000 0.270 243 S C -1.166 173.411 174.600 -0.039 0.000 1.145 243 S CA -0.822 57.347 58.200 -0.051 0.000 0.852 243 S CB 2.671 65.831 63.200 -0.067 0.000 1.119 243 S HN 0.101 nan 8.310 nan 0.000 0.465 244 A N 0.875 123.690 122.820 -0.008 0.000 2.605 244 A HA 0.776 5.096 4.320 0.000 0.000 0.294 244 A C -1.616 175.991 177.584 0.038 0.000 1.062 244 A CA -0.754 51.293 52.037 0.016 0.000 0.682 244 A CB 1.352 20.352 19.000 -0.001 0.000 1.278 244 A HN 1.410 nan 8.150 nan 0.000 0.410 245 V N 0.884 120.836 119.914 0.063 0.000 2.588 245 V HA 0.677 4.797 4.120 0.000 0.000 0.304 245 V C -0.614 175.534 176.094 0.090 0.000 1.042 245 V CA -0.595 61.751 62.300 0.076 0.000 0.877 245 V CB 1.683 33.559 31.823 0.087 0.000 0.996 245 V HN 0.819 nan 8.190 nan 0.000 0.425 246 V N 4.623 124.613 119.914 0.126 0.000 2.604 246 V HA 0.609 4.729 4.120 0.000 0.000 0.305 246 V C -0.517 175.765 176.094 0.314 0.000 1.043 246 V CA -0.636 61.781 62.300 0.195 0.000 0.888 246 V CB 2.306 34.244 31.823 0.191 0.000 0.995 246 V HN 0.616 nan 8.190 nan 0.000 0.429 247 V N 3.661 123.698 119.914 0.204 0.000 2.495 247 V HA 0.410 4.530 4.120 0.000 0.000 0.298 247 V C 0.164 176.178 176.094 -0.133 0.000 1.031 247 V CA -0.991 61.349 62.300 0.066 0.000 0.871 247 V CB 1.842 33.678 31.823 0.022 0.000 0.988 247 V HN 0.842 nan 8.190 nan 0.000 0.432 248 K N 3.858 123.928 120.400 -0.552 0.000 2.083 248 K HA 0.198 4.518 4.320 0.000 0.000 0.246 248 K C 0.492 176.907 176.600 -0.308 0.000 1.160 248 K CA -0.181 55.685 56.287 -0.700 0.000 1.060 248 K CB -0.119 31.664 32.500 -1.194 0.000 1.417 248 K HN 0.946 nan 8.250 nan 0.000 0.329 249 T N 0.181 114.634 114.554 -0.168 0.000 2.874 249 T HA 0.245 4.595 4.350 0.000 0.000 0.281 249 T C -1.143 173.506 174.700 -0.084 0.000 0.994 249 T CA -1.577 60.465 62.100 -0.098 0.000 1.015 249 T CB 1.024 69.860 68.868 -0.053 0.000 1.028 249 T HN 0.256 nan 8.240 nan 0.000 0.523 250 P HA -0.072 nan 4.420 nan 0.000 0.216 250 P C 0.916 178.196 177.300 -0.033 0.000 1.153 250 P CA 1.379 64.452 63.100 -0.045 0.000 0.858 250 P CB -0.023 31.657 31.700 -0.032 0.000 0.789 251 S N -3.128 112.556 115.700 -0.026 0.000 3.067 251 S HA 0.387 4.857 4.470 0.000 0.000 0.253 251 S C 0.811 175.404 174.600 -0.012 0.000 0.942 251 S CA -0.329 57.861 58.200 -0.016 0.000 1.197 251 S CB -0.282 62.911 63.200 -0.012 0.000 1.143 251 S HN 0.267 nan 8.310 nan 0.000 0.638 252 G N 1.963 110.754 108.800 -0.015 0.000 2.527 252 G HA2 0.521 4.481 3.960 0.000 0.000 0.248 252 G HA3 0.521 4.481 3.960 0.000 0.000 0.248 252 G C -0.548 174.353 174.900 0.003 0.000 1.231 252 G CA 0.264 45.359 45.100 -0.008 0.000 0.838 252 G HN 0.532 nan 8.290 nan 0.000 0.570 253 D N -1.761 118.642 120.400 0.006 0.000 2.779 253 D HA 0.299 4.939 4.640 0.000 0.000 0.331 253 D C -1.288 175.017 176.300 0.008 0.000 1.331 253 D CA -0.616 53.391 54.000 0.011 0.000 0.866 253 D CB 0.994 41.799 40.800 0.008 0.000 1.409 253 D HN 0.389 nan 8.370 nan 0.000 0.486 254 V N 0.071 119.989 119.914 0.007 0.000 2.435 254 V HA 0.453 4.573 4.120 0.000 0.000 0.290 254 V C -0.090 176.003 176.094 -0.002 0.000 1.030 254 V CA -0.661 61.641 62.300 0.002 0.000 0.881 254 V CB 1.323 33.147 31.823 0.001 0.000 0.983 254 V HN 0.385 nan 8.190 nan 0.000 0.445 255 K N 3.387 123.785 120.400 -0.002 0.000 2.206 255 K HA 0.826 5.146 4.320 0.000 0.000 0.264 255 K C -0.546 176.052 176.600 -0.003 0.000 0.967 255 K CA -0.401 55.884 56.287 -0.003 0.000 0.844 255 K CB 2.086 34.584 32.500 -0.003 0.000 1.099 255 K HN 0.781 nan 8.250 nan 0.000 0.441 256 A N 3.723 126.540 122.820 -0.005 0.000 2.411 256 A HA 0.640 4.960 4.320 0.000 0.000 0.285 256 A C -1.027 176.555 177.584 -0.004 0.000 1.129 256 A CA -0.881 51.154 52.037 -0.004 0.000 0.736 256 A CB 0.566 19.561 19.000 -0.008 0.000 1.186 256 A HN 0.879 nan 8.150 nan 0.000 0.445 257 R N 1.087 121.587 120.500 -0.001 0.000 2.692 257 R HA 0.795 5.135 4.340 0.000 0.000 0.269 257 R C -0.233 176.068 176.300 0.001 0.000 1.030 257 R CA -0.197 55.902 56.100 -0.001 0.000 0.882 257 R CB 0.742 31.041 30.300 -0.002 0.000 1.250 257 R HN 1.188 nan 8.270 nan 0.000 0.465 258 A N 1.973 124.793 122.820 0.000 0.000 2.520 258 A HA 0.467 4.787 4.320 0.000 0.000 0.235 258 A C 0.399 177.983 177.584 0.002 0.000 1.065 258 A CA -0.112 51.926 52.037 0.001 0.000 0.764 258 A CB -0.339 18.662 19.000 0.001 0.000 1.002 258 A HN 0.723 nan 8.150 nan 0.000 0.502 259 I N -0.814 119.758 120.570 0.002 0.000 2.846 259 I HA 0.658 4.828 4.170 0.000 0.000 0.307 259 I C -2.539 173.579 176.117 0.002 0.000 1.053 259 I CA -2.925 58.377 61.300 0.002 0.000 1.050 259 I CB 2.186 40.188 38.000 0.003 0.000 1.239 259 I HN 0.364 nan 8.210 nan 0.000 0.439 260 P HA 0.162 nan 4.420 nan 0.000 0.271 260 P C -0.207 177.094 177.300 0.002 0.000 1.220 260 P CA -0.118 62.983 63.100 0.002 0.000 0.768 260 P CB 1.424 33.125 31.700 0.001 0.000 0.848 261 A N 2.532 125.353 122.820 0.002 0.000 2.609 261 A HA 0.598 4.918 4.320 0.000 0.000 0.286 261 A C 0.782 178.367 177.584 0.002 0.000 1.138 261 A CA 0.235 52.272 52.037 0.001 0.000 0.960 261 A CB -0.415 18.585 19.000 0.001 0.000 1.208 261 A HN 0.849 nan 8.150 nan 0.000 0.541 262 G N 0.029 108.830 108.800 0.002 0.000 2.756 262 G HA2 -0.124 3.836 3.960 0.000 0.000 0.678 262 G HA3 -0.124 3.836 3.960 0.000 0.000 0.678 262 G C -0.962 173.940 174.900 0.004 0.000 1.349 262 G CA -0.354 44.748 45.100 0.003 0.000 0.847 262 G HN 0.510 nan 8.290 nan 0.000 0.548 263 N N -1.110 117.594 118.700 0.006 0.000 2.380 263 N HA 0.679 5.419 4.740 0.000 0.000 0.290 263 N C -0.679 174.836 175.510 0.008 0.000 1.236 263 N CA -0.750 52.304 53.050 0.006 0.000 0.780 263 N CB 2.104 40.595 38.487 0.007 0.000 1.438 263 N HN 0.495 nan 8.380 nan 0.000 0.491 264 L N 0.809 122.038 121.223 0.009 0.000 2.329 264 L HA 0.410 4.750 4.340 0.000 0.000 0.279 264 L C 0.092 176.970 176.870 0.013 0.000 1.014 264 L CA -0.582 54.265 54.840 0.012 0.000 0.814 264 L CB 1.798 43.864 42.059 0.011 0.000 1.257 264 L HN 0.504 nan 8.230 nan 0.000 0.424 265 E N 3.556 123.767 120.200 0.017 0.000 2.113 265 E HA 0.461 4.811 4.350 0.000 0.000 0.273 265 E C -1.402 175.210 176.600 0.021 0.000 0.924 265 E CA -0.527 55.884 56.400 0.018 0.000 0.764 265 E CB 1.043 30.755 29.700 0.020 0.000 1.104 265 E HN 0.447 nan 8.360 nan 0.000 0.406 266 L N 5.574 126.806 121.223 0.016 0.000 2.272 266 L HA 0.387 4.727 4.340 0.000 0.000 0.289 266 L C -0.961 175.915 176.870 0.010 0.000 1.032 266 L CA -1.041 53.808 54.840 0.015 0.000 0.810 266 L CB 0.652 42.718 42.059 0.011 0.000 1.205 266 L HN 0.461 nan 8.230 nan 0.000 0.422 267 L N 3.968 125.197 121.223 0.010 0.000 2.296 267 L HA 0.847 5.187 4.340 0.000 0.000 0.286 267 L C 0.054 176.912 176.870 -0.020 0.000 1.023 267 L CA 0.009 54.846 54.840 -0.005 0.000 0.812 267 L CB 1.593 43.650 42.059 -0.005 0.000 1.223 267 L HN 0.743 nan 8.230 nan 0.000 0.421 268 A N 2.209 125.014 122.820 -0.024 0.000 2.594 268 A HA 0.599 4.919 4.320 0.000 0.000 0.296 268 A C -0.247 177.321 177.584 -0.027 0.000 1.056 268 A CA -0.455 51.565 52.037 -0.029 0.000 0.693 268 A CB 1.134 20.124 19.000 -0.016 0.000 1.278 268 A HN 0.682 nan 8.150 nan 0.000 0.408 269 Q N 0.179 119.960 119.800 -0.031 0.000 2.452 269 Q HA -0.273 4.067 4.340 0.000 0.000 0.248 269 Q C 1.197 177.182 176.000 -0.026 0.000 0.874 269 Q CA 1.929 57.717 55.803 -0.026 0.000 1.208 269 Q CB -1.818 26.910 28.738 -0.016 0.000 1.569 269 Q HN 2.749 nan 8.270 nan 0.000 0.579 270 G N 0.005 108.784 108.800 -0.035 0.000 2.234 270 G HA2 -0.388 3.572 3.960 0.000 0.000 0.260 270 G HA3 -0.388 3.572 3.960 0.000 0.000 0.260 270 G C 0.093 174.980 174.900 -0.021 0.000 0.987 270 G CA 0.584 45.666 45.100 -0.031 0.000 0.625 270 G HN 0.508 nan 8.290 nan 0.000 0.532 271 R N -0.416 120.074 120.500 -0.017 0.000 2.668 271 R HA 0.794 5.134 4.340 0.000 0.000 0.279 271 R C -0.372 175.923 176.300 -0.008 0.000 0.976 271 R CA -0.151 55.943 56.100 -0.010 0.000 0.978 271 R CB 1.825 32.121 30.300 -0.008 0.000 1.133 271 R HN 0.325 nan 8.270 nan 0.000 0.484 272 S N 1.521 117.220 115.700 -0.003 0.000 2.596 272 S HA 0.424 4.894 4.470 0.000 0.000 0.318 272 S C -1.099 173.503 174.600 0.003 0.000 1.097 272 S CA -0.712 57.488 58.200 0.001 0.000 1.080 272 S CB 1.306 64.509 63.200 0.004 0.000 0.991 272 S HN 0.472 nan 8.310 nan 0.000 0.471 273 V N 6.548 126.464 119.914 0.004 0.000 2.769 273 V HA 0.804 4.924 4.120 0.000 0.000 0.312 273 V C -0.817 175.281 176.094 0.007 0.000 1.061 273 V CA -0.893 61.410 62.300 0.005 0.000 0.931 273 V CB 1.867 33.692 31.823 0.003 0.000 1.010 273 V HN 0.982 nan 8.190 nan 0.000 0.433 274 R N 4.288 124.792 120.500 0.007 0.000 2.803 274 R HA 0.876 5.216 4.340 0.000 0.000 0.276 274 R C -1.751 174.553 176.300 0.006 0.000 0.978 274 R CA -0.675 55.430 56.100 0.008 0.000 0.939 274 R CB 2.020 32.325 30.300 0.008 0.000 1.179 274 R HN 0.577 nan 8.270 nan 0.000 0.472 275 V N 1.063 120.981 119.914 0.006 0.000 2.841 275 V HA 0.250 4.370 4.120 0.000 0.000 0.310 275 V C -1.263 174.834 176.094 0.005 0.000 1.090 275 V CA -0.815 61.488 62.300 0.005 0.000 0.930 275 V CB 2.129 33.955 31.823 0.005 0.000 1.014 275 V HN 0.905 nan 8.190 nan 0.000 0.425 276 D N 3.831 124.234 120.400 0.004 0.000 2.351 276 D HA 0.186 4.826 4.640 0.000 0.000 0.251 276 D C 0.985 177.287 176.300 0.003 0.000 1.137 276 D CA 0.240 54.242 54.000 0.003 0.000 0.879 276 D CB 2.063 42.865 40.800 0.003 0.000 1.181 276 D HN 0.332 nan 8.370 nan 0.000 0.448 277 V N 4.088 124.004 119.914 0.003 0.000 2.490 277 V HA -0.194 3.926 4.120 0.000 0.000 0.250 277 V C 2.262 178.357 176.094 0.001 0.000 1.061 277 V CA 2.006 64.307 62.300 0.001 0.000 1.064 277 V CB -0.659 31.165 31.823 0.001 0.000 0.670 277 V HN 0.728 nan 8.190 nan 0.000 0.461 278 A N -0.223 122.598 122.820 0.001 0.000 2.239 278 A HA 0.177 4.497 4.320 0.000 0.000 0.209 278 A C 2.207 179.791 177.584 0.001 0.000 1.171 278 A CA 1.224 53.262 52.037 0.001 0.000 0.768 278 A CB -0.409 18.592 19.000 0.002 0.000 0.790 278 A HN 0.536 nan 8.150 nan 0.000 0.478 279 A N -1.057 121.763 122.820 0.001 0.000 2.167 279 A HA 0.461 4.781 4.320 0.000 0.000 0.214 279 A C 1.415 178.999 177.584 0.001 0.000 1.151 279 A CA 1.179 53.217 52.037 0.001 0.000 0.735 279 A CB -0.786 18.215 19.000 0.002 0.000 0.802 279 A HN 2.050 nan 8.150 nan 0.000 0.467 280 G N -2.935 105.865 108.800 0.000 0.000 2.662 280 G HA2 0.272 4.232 3.960 0.000 0.000 0.686 280 G HA3 0.272 4.232 3.960 0.000 0.000 0.686 280 G C 0.690 175.590 174.900 -0.001 0.000 1.271 280 G CA -0.173 44.927 45.100 -0.000 0.000 0.816 280 G HN 1.269 nan 8.290 nan 0.000 0.608 281 A N -0.342 122.477 122.820 -0.002 0.000 1.969 281 A HA 0.083 4.403 4.320 0.000 0.000 0.218 281 A C 2.058 179.641 177.584 -0.002 0.000 1.169 281 A CA 2.355 54.389 52.037 -0.004 0.000 0.635 281 A CB -0.355 18.641 19.000 -0.007 0.000 0.810 281 A HN 1.055 nan 8.150 nan 0.000 0.445 282 E N -0.115 120.085 120.200 -0.000 0.000 2.106 282 E HA -0.095 4.255 4.350 0.000 0.000 0.192 282 E C 2.088 178.690 176.600 0.002 0.000 0.984 282 E CA 0.914 57.315 56.400 0.001 0.000 0.806 282 E CB -0.208 29.493 29.700 0.002 0.000 0.750 282 E HN 0.549 nan 8.360 nan 0.000 0.458 283 A N 1.014 123.835 122.820 0.002 0.000 1.897 283 A HA -0.109 4.211 4.320 0.000 0.000 0.215 283 A C 2.130 179.716 177.584 0.003 0.000 1.181 283 A CA 1.011 53.050 52.037 0.002 0.000 0.620 283 A CB -0.526 18.475 19.000 0.002 0.000 0.821 283 A HN 0.294 nan 8.150 nan 0.000 0.443 284 I N -0.644 119.927 120.570 0.002 0.000 2.163 284 I HA -0.282 3.888 4.170 0.000 0.000 0.243 284 I C 2.487 178.606 176.117 0.003 0.000 1.085 284 I CA 1.244 62.545 61.300 0.003 0.000 1.347 284 I CB -0.311 37.690 38.000 0.001 0.000 1.044 284 I HN 0.251 nan 8.210 nan 0.000 0.408 285 M N 0.186 119.787 119.600 0.003 0.000 2.319 285 M HA -0.152 4.328 4.480 0.000 0.000 0.265 285 M C 2.203 178.507 176.300 0.006 0.000 1.068 285 M CA 1.424 56.726 55.300 0.004 0.000 1.118 285 M CB -1.071 31.530 32.600 0.003 0.000 1.395 285 M HN 0.184 nan 8.290 nan 0.000 0.435 286 K N 0.255 120.658 120.400 0.005 0.000 2.097 286 K HA -0.079 4.241 4.320 0.000 0.000 0.206 286 K C 1.898 178.501 176.600 0.006 0.000 1.049 286 K CA 1.438 57.728 56.287 0.006 0.000 0.933 286 K CB 0.094 32.597 32.500 0.005 0.000 0.717 286 K HN 0.230 nan 8.250 nan 0.000 0.442 287 A N 0.411 123.234 122.820 0.005 0.000 1.929 287 A HA -0.050 4.270 4.320 0.000 0.000 0.216 287 A C 2.163 179.751 177.584 0.006 0.000 1.176 287 A CA 1.112 53.152 52.037 0.005 0.000 0.628 287 A CB -0.347 18.656 19.000 0.005 0.000 0.816 287 A HN 0.151 nan 8.150 nan 0.000 0.444 288 V N 0.570 120.488 119.914 0.007 0.000 2.307 288 V HA -0.178 3.942 4.120 0.000 0.000 0.245 288 V C 1.738 177.837 176.094 0.008 0.000 1.045 288 V CA 2.193 64.498 62.300 0.008 0.000 1.024 288 V CB -0.603 31.225 31.823 0.008 0.000 0.651 288 V HN 0.476 nan 8.190 nan 0.000 0.449 289 D N 0.114 120.519 120.400 0.008 0.000 2.349 289 D HA 0.029 4.669 4.640 0.000 0.000 0.224 289 D C 1.949 178.253 176.300 0.007 0.000 1.029 289 D CA 1.051 55.056 54.000 0.008 0.000 0.879 289 D CB 0.293 41.099 40.800 0.010 0.000 0.906 289 D HN 0.496 nan 8.370 nan 0.000 0.528 290 G N -0.302 108.502 108.800 0.006 0.000 2.539 290 G HA2 -0.068 3.892 3.960 0.000 0.000 0.215 290 G HA3 -0.068 3.892 3.960 0.000 0.000 0.215 290 G C 0.770 175.672 174.900 0.003 0.000 1.141 290 G CA -0.055 45.048 45.100 0.005 0.000 0.806 290 G HN 0.234 nan 8.290 nan 0.000 0.533 291 C N 1.505 120.807 119.300 0.003 0.000 2.653 291 C HA 0.463 4.923 4.460 0.000 0.000 0.421 291 C C 2.317 177.307 174.990 0.000 0.000 1.334 291 C CA -0.217 58.802 59.018 0.001 0.000 1.885 291 C CB 0.513 28.254 27.740 0.001 0.000 2.645 291 C HN 0.452 nan 8.230 nan 0.000 0.601 292 G N 3.216 112.015 108.800 -0.002 0.000 2.777 292 G HA2 -0.125 3.835 3.960 0.000 0.000 0.217 292 G HA3 -0.125 3.835 3.960 0.000 0.000 0.217 292 G C 0.542 175.441 174.900 -0.001 0.000 1.295 292 G CA 0.935 46.034 45.100 -0.003 0.000 0.800 292 G HN 0.674 nan 8.290 nan 0.000 0.637 293 R N -1.037 119.460 120.500 -0.004 0.000 2.604 293 R HA 0.401 4.741 4.340 0.000 0.000 0.281 293 R C -0.870 175.426 176.300 -0.005 0.000 1.020 293 R CA -0.768 55.332 56.100 -0.001 0.000 0.899 293 R CB 1.408 31.709 30.300 0.001 0.000 1.205 293 R HN 0.237 nan 8.270 nan 0.000 0.450 294 L N 3.048 124.273 121.223 0.003 0.000 2.513 294 L HA 0.004 4.344 4.340 0.000 0.000 0.272 294 L C 0.763 177.628 176.870 -0.008 0.000 1.187 294 L CA 0.464 55.305 54.840 0.003 0.000 0.895 294 L CB 0.479 42.549 42.059 0.018 0.000 1.147 294 L HN 0.511 nan 8.230 nan 0.000 0.483 295 D N 1.531 121.910 120.400 -0.034 0.000 2.338 295 D HA 0.085 4.725 4.640 0.000 0.000 0.208 295 D C 0.163 176.430 176.300 -0.056 0.000 0.997 295 D CA 0.631 54.576 54.000 -0.092 0.000 0.880 295 D CB 0.397 41.099 40.800 -0.163 0.000 0.980 295 D HN 0.430 nan 8.370 nan 0.000 0.509 296 N N -1.029 117.682 118.700 0.018 0.000 3.127 296 N HA 0.278 5.018 4.740 0.000 0.000 0.239 296 N C -2.098 173.460 175.510 0.081 0.000 1.407 296 N CA -0.477 52.642 53.050 0.115 0.000 0.891 296 N CB 1.615 40.226 38.487 0.207 0.000 1.447 296 N HN -0.319 nan 8.380 nan 0.000 0.507 297 V N 0.367 120.335 119.914 0.091 0.000 2.888 297 V HA 0.762 4.882 4.120 0.000 0.000 0.309 297 V C -0.684 175.444 176.094 0.056 0.000 1.114 297 V CA -0.653 61.683 62.300 0.059 0.000 0.940 297 V CB 1.740 33.591 31.823 0.046 0.000 1.021 297 V HN 0.904 nan 8.190 nan 0.000 0.426 298 T N 0.406 114.985 114.554 0.042 0.000 2.909 298 T HA 0.887 5.237 4.350 0.000 0.000 0.299 298 T C -0.140 174.575 174.700 0.025 0.000 1.073 298 T CA -0.184 61.937 62.100 0.035 0.000 0.999 298 T CB 2.086 70.976 68.868 0.037 0.000 1.098 298 T HN 1.105 nan 8.240 nan 0.000 0.477 299 G N 0.561 109.374 108.800 0.021 0.000 3.108 299 G HA2 0.691 4.651 3.960 0.000 0.000 0.268 299 G HA3 0.691 4.651 3.960 0.000 0.000 0.268 299 G C -1.272 173.636 174.900 0.014 0.000 1.361 299 G CA -1.017 44.092 45.100 0.016 0.000 1.047 299 G HN 0.830 nan 8.290 nan 0.000 0.540 300 E N -0.071 120.136 120.200 0.011 0.000 2.204 300 E HA 0.438 4.788 4.350 0.000 0.000 0.276 300 E C -0.311 176.294 176.600 0.008 0.000 0.974 300 E CA -0.412 55.993 56.400 0.009 0.000 0.815 300 E CB 1.925 31.630 29.700 0.007 0.000 1.119 300 E HN 0.300 nan 8.360 nan 0.000 0.393 301 S N 0.786 116.491 115.700 0.008 0.000 2.585 301 S HA 0.382 4.852 4.470 0.000 0.000 0.273 301 S C 1.128 175.731 174.600 0.005 0.000 1.339 301 S CA 0.824 59.029 58.200 0.007 0.000 1.028 301 S CB 0.464 63.669 63.200 0.007 0.000 0.906 301 S HN 0.812 nan 8.310 nan 0.000 0.528 302 G N 2.021 110.824 108.800 0.004 0.000 2.253 302 G HA2 -0.254 3.706 3.960 0.000 0.000 0.251 302 G HA3 -0.254 3.706 3.960 0.000 0.000 0.251 302 G C 0.301 175.201 174.900 0.000 0.000 0.998 302 G CA 0.558 45.659 45.100 0.002 0.000 0.621 302 G HN 1.431 nan 8.290 nan 0.000 0.524 303 T N -1.359 113.196 114.554 0.001 0.000 2.922 303 T HA 0.582 4.932 4.350 0.000 0.000 0.285 303 T C 1.322 176.020 174.700 -0.004 0.000 1.005 303 T CA 0.174 62.274 62.100 -0.001 0.000 1.061 303 T CB 1.429 70.297 68.868 0.001 0.000 1.007 303 T HN 0.006 nan 8.240 nan 0.000 0.502 304 N N 1.170 119.865 118.700 -0.008 0.000 2.120 304 N HA -0.036 4.704 4.740 0.000 0.000 0.188 304 N C 1.797 177.300 175.510 -0.012 0.000 1.024 304 N CA 1.099 54.140 53.050 -0.015 0.000 0.852 304 N CB -0.450 38.026 38.487 -0.019 0.000 1.003 304 N HN 0.671 nan 8.380 nan 0.000 0.424 305 I N 0.511 121.077 120.570 -0.007 0.000 2.286 305 I HA -0.107 4.063 4.170 0.000 0.000 0.245 305 I C 2.424 178.544 176.117 0.005 0.000 1.104 305 I CA 1.061 62.360 61.300 -0.003 0.000 1.397 305 I CB -0.560 37.439 38.000 -0.001 0.000 1.072 305 I HN 0.122 nan 8.210 nan 0.000 0.417 306 G N 0.527 109.331 108.800 0.007 0.000 2.418 306 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 306 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 306 G C 1.721 176.631 174.900 0.018 0.000 1.158 306 G CA 0.821 45.928 45.100 0.012 0.000 0.771 306 G HN 0.492 nan 8.290 nan 0.000 0.545 307 G N 0.363 109.171 108.800 0.014 0.000 2.408 307 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 307 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 307 G C 1.722 176.646 174.900 0.041 0.000 1.150 307 G CA 1.093 46.207 45.100 0.023 0.000 0.776 307 G HN 0.335 nan 8.290 nan 0.000 0.542 308 M N 0.351 119.963 119.600 0.020 0.000 2.132 308 M HA 0.094 4.574 4.480 0.000 0.000 0.263 308 M C 2.463 178.803 176.300 0.067 0.000 1.065 308 M CA 1.191 56.509 55.300 0.030 0.000 1.122 308 M CB -0.563 32.034 32.600 -0.005 0.000 1.365 308 M HN 0.230 nan 8.290 nan 0.000 0.411 309 L N 0.249 121.497 121.223 0.042 0.000 2.042 309 L HA -0.218 4.122 4.340 0.000 0.000 0.210 309 L C 2.441 179.334 176.870 0.038 0.000 1.076 309 L CA 1.192 56.055 54.840 0.038 0.000 0.749 309 L CB -0.769 41.307 42.059 0.028 0.000 0.893 309 L HN 0.264 nan 8.230 nan 0.000 0.432 310 E N -1.034 119.192 120.200 0.042 0.000 2.152 310 E HA -0.207 4.143 4.350 0.000 0.000 0.192 310 E C 1.935 178.554 176.600 0.031 0.000 0.983 310 E CA 0.983 57.398 56.400 0.024 0.000 0.818 310 E CB -0.302 29.411 29.700 0.022 0.000 0.758 310 E HN 0.563 nan 8.360 nan 0.000 0.467 311 H N 0.508 119.568 119.070 -0.017 0.000 2.326 311 H HA -0.031 4.525 4.556 -0.000 0.000 0.301 311 H C 2.040 177.357 175.328 -0.019 0.000 1.081 311 H CA 1.739 57.777 56.048 -0.017 0.000 1.334 311 H CB -0.010 29.744 29.762 -0.013 0.000 1.385 311 H HN 0.003 nan 8.280 nan 0.000 0.504 312 V N 0.662 120.640 119.914 0.108 0.000 2.515 312 V HA -0.156 3.964 4.120 0.000 0.000 0.250 312 V C 2.562 178.635 176.094 -0.036 0.000 1.058 312 V CA 2.058 64.387 62.300 0.048 0.000 1.064 312 V CB -0.560 31.303 31.823 0.068 0.000 0.675 312 V HN 0.453 nan 8.190 nan 0.000 0.461 313 R N -0.955 119.521 120.500 -0.040 0.000 2.081 313 R HA -0.167 4.173 4.340 0.000 0.000 0.235 313 R C 2.396 178.633 176.300 -0.105 0.000 1.131 313 R CA 1.680 57.737 56.100 -0.072 0.000 0.960 313 R CB -0.237 30.021 30.300 -0.069 0.000 0.856 313 R HN 0.451 nan 8.270 nan 0.000 0.436 314 Q N -0.215 119.510 119.800 -0.125 0.000 2.167 314 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 314 Q C 1.887 177.795 176.000 -0.154 0.000 0.970 314 Q CA 1.825 57.542 55.803 -0.143 0.000 0.855 314 Q CB -0.221 28.417 28.738 -0.166 0.000 0.911 314 Q HN 0.358 nan 8.270 nan 0.000 0.438 315 T N 0.847 115.289 114.554 -0.187 0.000 2.708 315 T HA -0.175 4.175 4.350 0.000 0.000 0.266 315 T C 1.737 176.384 174.700 -0.087 0.000 1.037 315 T CA 1.618 63.630 62.100 -0.147 0.000 1.146 315 T CB -0.176 68.615 68.868 -0.128 0.000 0.865 315 T HN 0.164 nan 8.240 nan 0.000 0.435 316 M N 1.724 121.278 119.600 -0.077 0.000 2.175 316 M HA 0.194 4.674 4.480 0.000 0.000 0.264 316 M C 2.316 178.576 176.300 -0.068 0.000 1.063 316 M CA 1.106 56.369 55.300 -0.061 0.000 1.119 316 M CB -0.887 31.679 32.600 -0.057 0.000 1.377 316 M HN 0.204 nan 8.290 nan 0.000 0.415 317 A N -0.102 122.666 122.820 -0.086 0.000 1.917 317 A HA -0.240 4.080 4.320 0.000 0.000 0.219 317 A C 2.054 179.600 177.584 -0.064 0.000 1.182 317 A CA 2.257 54.243 52.037 -0.085 0.000 0.633 317 A CB -0.923 18.019 19.000 -0.096 0.000 0.819 317 A HN 0.695 nan 8.150 nan 0.000 0.448 318 E N -0.439 119.723 120.200 -0.064 0.000 2.158 318 E HA -0.016 4.334 4.350 0.000 0.000 0.191 318 E C 1.898 178.476 176.600 -0.036 0.000 0.982 318 E CA 0.658 57.029 56.400 -0.049 0.000 0.823 318 E CB -0.215 29.453 29.700 -0.054 0.000 0.766 318 E HN 0.619 nan 8.360 nan 0.000 0.468 319 L N 0.735 121.936 121.223 -0.036 0.000 2.141 319 L HA -0.110 4.230 4.340 0.000 0.000 0.209 319 L C 2.440 179.297 176.870 -0.022 0.000 1.094 319 L CA 1.495 56.320 54.840 -0.025 0.000 0.763 319 L CB -0.327 41.718 42.059 -0.024 0.000 0.908 319 L HN 0.280 nan 8.230 nan 0.000 0.437 320 T N -5.331 109.206 114.554 -0.028 0.000 3.054 320 T HA 0.088 4.438 4.350 0.000 0.000 0.255 320 T C 0.868 175.555 174.700 -0.023 0.000 1.035 320 T CA -0.039 62.047 62.100 -0.023 0.000 0.941 320 T CB -0.080 68.772 68.868 -0.026 0.000 1.026 320 T HN 0.238 nan 8.240 nan 0.000 0.533 321 N N 2.289 120.973 118.700 -0.026 0.000 2.725 321 N HA -0.176 4.564 4.740 0.000 0.000 0.251 321 N C -0.568 174.926 175.510 -0.027 0.000 1.031 321 N CA 0.934 53.969 53.050 -0.024 0.000 0.720 321 N CB -1.123 37.354 38.487 -0.016 0.000 0.930 321 N HN 0.875 nan 8.380 nan 0.000 0.543 322 K N -1.152 119.225 120.400 -0.037 0.000 2.395 322 K HA 0.679 4.999 4.320 0.000 0.000 0.245 322 K C -2.913 173.652 176.600 -0.058 0.000 1.017 322 K CA -1.937 54.325 56.287 -0.042 0.000 0.852 322 K CB 1.586 34.062 32.500 -0.041 0.000 1.311 322 K HN -0.077 nan 8.250 nan 0.000 0.452 323 P HA -0.045 nan 4.420 nan 0.000 0.271 323 P C 0.709 177.941 177.300 -0.113 0.000 1.218 323 P CA -0.126 62.932 63.100 -0.071 0.000 0.780 323 P CB 0.990 32.657 31.700 -0.055 0.000 0.901 324 S N 1.182 116.814 115.700 -0.113 0.000 2.400 324 S HA -0.184 4.286 4.470 0.000 0.000 0.232 324 S C 1.846 176.317 174.600 -0.214 0.000 1.025 324 S CA 1.531 59.641 58.200 -0.149 0.000 0.993 324 S CB -1.556 61.578 63.200 -0.110 0.000 0.808 324 S HN 0.613 nan 8.310 nan 0.000 0.478 325 S N 1.609 117.211 115.700 -0.163 0.000 2.469 325 S HA -0.051 4.419 4.470 0.000 0.000 0.238 325 S C 1.350 175.770 174.600 -0.300 0.000 0.998 325 S CA 0.925 59.025 58.200 -0.166 0.000 0.957 325 S CB -0.527 62.635 63.200 -0.063 0.000 0.764 325 S HN 0.745 nan 8.310 nan 0.000 0.514 326 E N 0.144 120.146 120.200 -0.330 0.000 2.481 326 E HA 0.261 4.611 4.350 0.000 0.000 0.198 326 E C -0.519 175.653 176.600 -0.715 0.000 1.027 326 E CA -0.194 55.983 56.400 -0.372 0.000 0.900 326 E CB 0.346 29.980 29.700 -0.110 0.000 0.993 326 E HN 0.461 nan 8.360 nan 0.000 0.482 327 I N 1.119 121.198 120.570 -0.820 0.000 2.377 327 I HA 0.328 4.498 4.170 0.000 0.000 0.293 327 I C -0.374 175.254 176.117 -0.816 0.000 0.987 327 I CA -0.580 60.345 61.300 -0.626 0.000 1.185 327 I CB 0.474 38.301 38.000 -0.289 0.000 1.341 327 I HN -0.145 nan 8.210 nan 0.000 0.455 328 F N 5.253 125.200 119.950 -0.005 0.000 2.577 328 F HA 0.533 5.060 4.527 0.000 0.000 0.318 328 F C 0.119 175.918 175.800 -0.001 0.000 1.065 328 F CA -0.968 57.031 58.000 -0.002 0.000 0.929 328 F CB 1.534 40.534 39.000 0.000 0.000 1.237 328 F HN 0.078 nan 8.300 nan 0.000 0.468 329 I N 2.084 122.767 120.570 0.190 0.000 2.325 329 I HA 0.242 4.412 4.170 0.000 0.000 0.291 329 I C 0.231 176.409 176.117 0.102 0.000 1.019 329 I CA -0.049 61.315 61.300 0.108 0.000 1.302 329 I CB 1.235 39.280 38.000 0.074 0.000 1.401 329 I HN 0.788 nan 8.210 nan 0.000 0.485 330 Q N 2.537 122.385 119.800 0.081 0.000 2.246 330 Q HA 0.154 4.494 4.340 0.000 0.000 0.222 330 Q C -0.423 175.607 176.000 0.050 0.000 0.851 330 Q CA 0.127 55.969 55.803 0.064 0.000 0.945 330 Q CB 1.053 29.832 28.738 0.067 0.000 1.122 330 Q HN 0.703 nan 8.270 nan 0.000 0.508 331 D N -0.962 119.467 120.400 0.048 0.000 2.583 331 D HA 0.545 5.185 4.640 0.000 0.000 0.248 331 D C -2.059 174.258 176.300 0.030 0.000 1.209 331 D CA -0.587 53.436 54.000 0.038 0.000 0.848 331 D CB 1.777 42.604 40.800 0.044 0.000 1.431 331 D HN -0.161 nan 8.370 nan 0.000 0.436 332 L N 1.660 122.895 121.223 0.020 0.000 2.482 332 L HA 0.663 5.003 4.340 0.000 0.000 0.263 332 L C -1.972 174.899 176.870 0.003 0.000 0.957 332 L CA -0.738 54.109 54.840 0.011 0.000 0.836 332 L CB 1.909 43.976 42.059 0.012 0.000 1.324 332 L HN 0.501 nan 8.230 nan 0.000 0.406 333 L N 3.758 124.976 121.223 -0.009 0.000 2.356 333 L HA 0.955 5.295 4.340 0.000 0.000 0.277 333 L C -0.833 176.024 176.870 -0.023 0.000 0.996 333 L CA -0.172 54.657 54.840 -0.019 0.000 0.822 333 L CB 1.636 43.673 42.059 -0.037 0.000 1.256 333 L HN 0.701 nan 8.230 nan 0.000 0.413 334 A N 4.831 127.640 122.820 -0.018 0.000 2.330 334 A HA 0.861 5.181 4.320 0.000 0.000 0.327 334 A C -1.269 176.302 177.584 -0.022 0.000 1.155 334 A CA -0.516 51.510 52.037 -0.018 0.000 0.803 334 A CB 1.434 20.429 19.000 -0.009 0.000 1.208 334 A HN 0.558 nan 8.150 nan 0.000 0.477 335 V N 2.275 122.174 119.914 -0.025 0.000 2.789 335 V HA 0.315 4.435 4.120 0.000 0.000 0.311 335 V C -0.962 175.122 176.094 -0.017 0.000 1.073 335 V CA -0.938 61.347 62.300 -0.025 0.000 0.921 335 V CB 2.161 33.961 31.823 -0.039 0.000 1.009 335 V HN 0.916 nan 8.190 nan 0.000 0.426 336 D N 3.034 123.427 120.400 -0.012 0.000 2.308 336 D HA 0.513 5.153 4.640 0.000 0.000 0.251 336 D C 0.269 176.565 176.300 -0.007 0.000 1.127 336 D CA 0.288 54.283 54.000 -0.007 0.000 0.876 336 D CB 1.851 42.649 40.800 -0.004 0.000 1.176 336 D HN 0.817 nan 8.370 nan 0.000 0.446 337 T N -1.678 112.874 114.554 -0.004 0.000 2.864 337 T HA 0.631 4.981 4.350 0.000 0.000 0.289 337 T C -0.498 174.206 174.700 0.006 0.000 1.082 337 T CA -0.956 61.143 62.100 -0.001 0.000 1.009 337 T CB 1.938 70.803 68.868 -0.005 0.000 1.234 337 T HN 0.106 nan 8.240 nan 0.000 0.526 338 S N 0.473 116.180 115.700 0.012 0.000 2.733 338 S HA 0.647 5.117 4.470 0.000 0.000 0.294 338 S C -0.822 173.796 174.600 0.031 0.000 1.149 338 S CA -0.535 57.678 58.200 0.022 0.000 1.034 338 S CB 0.382 63.596 63.200 0.025 0.000 1.015 338 S HN 1.397 nan 8.310 nan 0.000 0.486 339 V N 2.769 122.705 119.914 0.036 0.000 2.823 339 V HA 0.849 4.969 4.120 0.000 0.000 0.312 339 V C -2.814 173.321 176.094 0.068 0.000 1.072 339 V CA -2.738 59.585 62.300 0.038 0.000 0.937 339 V CB 1.723 33.558 31.823 0.019 0.000 1.013 339 V HN 0.683 nan 8.190 nan 0.000 0.430 340 P HA 0.334 nan 4.420 nan 0.000 0.276 340 P C -0.792 176.561 177.300 0.088 0.000 1.243 340 P CA 0.068 63.242 63.100 0.125 0.000 0.768 340 P CB 1.373 33.065 31.700 -0.014 0.000 0.856 341 V N 2.972 122.981 119.914 0.157 0.000 2.638 341 V HA 0.208 4.328 4.120 0.000 0.000 0.306 341 V C 0.440 176.633 176.094 0.165 0.000 1.052 341 V CA -0.646 61.718 62.300 0.108 0.000 0.885 341 V CB 2.007 33.874 31.823 0.073 0.000 0.999 341 V HN 0.443 nan 8.190 nan 0.000 0.424 342 S N 2.575 118.350 115.700 0.126 0.000 2.560 342 S HA 0.252 4.722 4.470 0.000 0.000 0.284 342 S C 0.095 174.757 174.600 0.104 0.000 1.327 342 S CA -0.318 57.971 58.200 0.148 0.000 1.055 342 S CB 1.062 64.320 63.200 0.096 0.000 0.868 342 S HN 0.502 nan 8.310 nan 0.000 0.506 343 V N 4.293 124.267 119.914 0.101 0.000 2.508 343 V HA 0.078 4.198 4.120 0.000 0.000 0.281 343 V C 0.801 176.914 176.094 0.031 0.000 1.041 343 V CA -0.255 62.078 62.300 0.055 0.000 1.016 343 V CB 0.714 32.562 31.823 0.042 0.000 0.984 343 V HN 0.904 nan 8.190 nan 0.000 0.478 344 T N 4.862 119.426 114.554 0.016 0.000 2.829 344 T HA 0.377 4.727 4.350 0.000 0.000 0.293 344 T C 1.189 175.880 174.700 -0.014 0.000 0.970 344 T CA 1.098 63.196 62.100 -0.002 0.000 1.168 344 T CB 0.441 69.307 68.868 -0.005 0.000 0.911 344 T HN 1.350 nan 8.240 nan 0.000 0.535 345 G N 2.820 111.598 108.800 -0.036 0.000 2.175 345 G HA2 -0.148 3.812 3.960 0.000 0.000 0.244 345 G HA3 -0.148 3.812 3.960 0.000 0.000 0.244 345 G C 0.459 175.331 174.900 -0.047 0.000 0.982 345 G CA -0.290 44.779 45.100 -0.051 0.000 0.641 345 G HN 1.117 nan 8.290 nan 0.000 0.527 346 G N -0.437 108.348 108.800 -0.025 0.000 2.491 346 G HA2 0.518 4.478 3.960 0.000 0.000 0.242 346 G HA3 0.518 4.478 3.960 0.000 0.000 0.242 346 G C 1.035 175.932 174.900 -0.005 0.000 1.266 346 G CA -0.198 44.902 45.100 0.001 0.000 0.844 346 G HN 0.571 nan 8.290 nan 0.000 0.571 347 L N 1.221 122.458 121.223 0.024 0.000 2.585 347 L HA 0.262 4.602 4.340 0.000 0.000 0.226 347 L C 1.939 178.900 176.870 0.152 0.000 1.113 347 L CA 0.671 55.569 54.840 0.096 0.000 0.876 347 L CB 0.287 42.384 42.059 0.063 0.000 1.072 347 L HN 0.627 nan 8.230 nan 0.000 0.468 348 A N -0.559 122.264 122.820 0.006 0.000 2.543 348 A HA 0.544 4.864 4.320 0.000 0.000 0.279 348 A C 1.142 178.695 177.584 -0.051 0.000 0.917 348 A CA 0.367 52.292 52.037 -0.187 0.000 1.036 348 A CB 0.141 18.656 19.000 -0.808 0.000 1.227 348 A HN 0.326 nan 8.150 nan 0.000 0.503 349 G N -0.049 108.806 108.800 0.091 0.000 2.143 349 G HA2 -0.226 3.734 3.960 0.000 0.000 0.249 349 G HA3 -0.226 3.734 3.960 0.000 0.000 0.249 349 G C -0.110 174.910 174.900 0.201 0.000 0.981 349 G CA 0.293 45.480 45.100 0.146 0.000 0.665 349 G HN 0.595 nan 8.290 nan 0.000 0.528 350 E N -0.290 120.003 120.200 0.155 0.000 2.568 350 E HA 0.428 4.778 4.350 0.000 0.000 0.262 350 E C 0.422 177.143 176.600 0.201 0.000 0.961 350 E CA 0.967 57.449 56.400 0.136 0.000 0.945 350 E CB 0.082 29.824 29.700 0.069 0.000 0.924 350 E HN 0.830 nan 8.360 nan 0.000 0.467 351 F N -0.364 119.616 119.950 0.050 0.000 2.613 351 F HA 0.773 5.300 4.527 0.000 0.000 0.314 351 F C -0.559 175.257 175.800 0.027 0.000 1.075 351 F CA -1.019 57.001 58.000 0.033 0.000 0.945 351 F CB 1.736 40.754 39.000 0.030 0.000 1.310 351 F HN 0.251 nan 8.300 nan 0.000 0.467 352 S N 1.644 117.406 115.700 0.104 0.000 2.569 352 S HA 0.680 5.150 4.470 0.000 0.000 0.280 352 S C -1.399 173.285 174.600 0.141 0.000 1.111 352 S CA -0.864 57.325 58.200 -0.018 0.000 0.887 352 S CB 1.303 64.490 63.200 -0.022 0.000 1.095 352 S HN 0.815 nan 8.310 nan 0.000 0.476 353 L N 3.752 125.027 121.223 0.085 0.000 2.315 353 L HA 0.466 4.806 4.340 0.000 0.000 0.283 353 L C 0.129 177.032 176.870 0.056 0.000 1.089 353 L CA -0.323 54.577 54.840 0.100 0.000 0.833 353 L CB 0.530 42.637 42.059 0.080 0.000 1.170 353 L HN 0.591 nan 8.230 nan 0.000 0.442 354 E N 3.357 123.591 120.200 0.056 0.000 2.202 354 E HA 0.313 4.663 4.350 0.000 0.000 0.272 354 E C -0.676 175.939 176.600 0.025 0.000 0.951 354 E CA -0.725 55.696 56.400 0.035 0.000 0.813 354 E CB 1.766 31.487 29.700 0.035 0.000 1.151 354 E HN 0.470 nan 8.360 nan 0.000 0.398 355 Q N 0.343 120.153 119.800 0.016 0.000 2.392 355 Q HA 0.477 4.817 4.340 0.000 0.000 0.262 355 Q C -0.560 175.446 176.000 0.009 0.000 1.003 355 Q CA -0.009 55.801 55.803 0.011 0.000 0.888 355 Q CB 1.031 29.773 28.738 0.007 0.000 1.260 355 Q HN 0.552 nan 8.270 nan 0.000 0.435 356 A N 1.492 124.315 122.820 0.006 0.000 2.593 356 A HA 0.712 5.032 4.320 0.000 0.000 0.290 356 A C -1.496 176.087 177.584 -0.002 0.000 1.126 356 A CA -0.615 51.423 52.037 0.002 0.000 0.695 356 A CB 1.624 20.626 19.000 0.002 0.000 1.290 356 A HN 0.406 nan 8.150 nan 0.000 0.414 357 V N 0.780 120.691 119.914 -0.005 0.000 2.443 357 V HA 0.636 4.756 4.120 0.000 0.000 0.293 357 V C 0.655 176.741 176.094 -0.013 0.000 1.021 357 V CA -0.123 62.172 62.300 -0.008 0.000 0.848 357 V CB 1.447 33.266 31.823 -0.006 0.000 0.998 357 V HN 1.331 nan 8.190 nan 0.000 0.424 358 G N 4.831 113.620 108.800 -0.018 0.000 2.372 358 G HA2 0.715 4.675 3.960 0.000 0.000 0.283 358 G HA3 0.715 4.675 3.960 0.000 0.000 0.283 358 G C -0.773 174.112 174.900 -0.026 0.000 1.177 358 G CA -0.341 44.744 45.100 -0.025 0.000 0.842 358 G HN 0.603 nan 8.290 nan 0.000 0.503 359 I N 1.357 121.912 120.570 -0.025 0.000 2.499 359 I HA 0.497 4.667 4.170 0.000 0.000 0.288 359 I C 0.189 176.291 176.117 -0.025 0.000 1.048 359 I CA -0.863 60.424 61.300 -0.022 0.000 1.062 359 I CB 2.209 40.202 38.000 -0.012 0.000 1.238 359 I HN 0.583 nan 8.210 nan 0.000 0.426 360 A N 4.511 127.315 122.820 -0.027 0.000 2.325 360 A HA 0.854 5.174 4.320 0.000 0.000 0.333 360 A C -0.246 177.334 177.584 -0.007 0.000 1.155 360 A CA -0.432 51.590 52.037 -0.024 0.000 0.814 360 A CB 1.337 20.312 19.000 -0.041 0.000 1.206 360 A HN 0.713 nan 8.150 nan 0.000 0.482 361 S N 1.738 117.440 115.700 0.003 0.000 2.600 361 S HA 0.817 5.287 4.470 0.000 0.000 0.300 361 S C -0.512 174.100 174.600 0.021 0.000 1.087 361 S CA -0.691 57.518 58.200 0.015 0.000 0.965 361 S CB 1.668 64.880 63.200 0.021 0.000 1.089 361 S HN 0.844 nan 8.310 nan 0.000 0.496 362 M N 3.108 122.725 119.600 0.029 0.000 2.204 362 M HA 0.484 4.964 4.480 0.000 0.000 0.293 362 M C -1.889 174.430 176.300 0.033 0.000 0.994 362 M CA -0.761 54.559 55.300 0.032 0.000 0.925 362 M CB 1.515 34.143 32.600 0.048 0.000 1.577 362 M HN 0.802 nan 8.290 nan 0.000 0.439 363 V N 6.479 126.404 119.914 0.019 0.000 2.417 363 V HA 0.629 4.749 4.120 0.000 0.000 0.291 363 V C -1.154 174.937 176.094 -0.004 0.000 1.024 363 V CA -0.427 61.884 62.300 0.018 0.000 0.861 363 V CB 1.827 33.654 31.823 0.006 0.000 0.985 363 V HN 0.959 nan 8.190 nan 0.000 0.436 364 K N 4.642 125.047 120.400 0.009 0.000 2.345 364 K HA 0.669 4.989 4.320 0.000 0.000 0.255 364 K C -0.615 175.992 176.600 0.010 0.000 0.934 364 K CA -0.349 55.924 56.287 -0.022 0.000 0.801 364 K CB 1.998 34.482 32.500 -0.027 0.000 1.137 364 K HN 0.782 nan 8.250 nan 0.000 0.424 365 S N 1.091 116.785 115.700 -0.010 0.000 2.776 365 S HA 0.194 4.664 4.470 0.000 0.000 0.306 365 S C 0.405 175.009 174.600 0.007 0.000 1.114 365 S CA -0.422 57.784 58.200 0.009 0.000 0.973 365 S CB 0.777 63.973 63.200 -0.007 0.000 1.250 365 S HN 0.810 nan 8.310 nan 0.000 0.549 366 D N 0.513 120.922 120.400 0.016 0.000 2.120 366 D HA 0.031 4.671 4.640 0.000 0.000 0.202 366 D C 0.677 176.982 176.300 0.008 0.000 0.972 366 D CA 0.911 54.921 54.000 0.017 0.000 0.837 366 D CB -0.187 40.627 40.800 0.023 0.000 0.989 366 D HN 0.645 nan 8.370 nan 0.000 0.469 367 R N -1.329 119.173 120.500 0.002 0.000 2.712 367 R HA 0.534 4.874 4.340 0.000 0.000 0.272 367 R C -1.107 175.190 176.300 -0.004 0.000 1.032 367 R CA -0.900 55.200 56.100 0.000 0.000 0.874 367 R CB 0.812 31.116 30.300 0.007 0.000 1.256 367 R HN -0.007 nan 8.270 nan 0.000 0.468 368 L N 0.736 121.956 121.223 -0.005 0.000 2.448 368 L HA 0.373 4.713 4.340 0.000 0.000 0.258 368 L C 0.324 177.193 176.870 -0.001 0.000 1.104 368 L CA -1.073 53.764 54.840 -0.005 0.000 0.800 368 L CB 1.200 43.256 42.059 -0.005 0.000 1.241 368 L HN 0.592 nan 8.230 nan 0.000 0.472 369 Q N 0.910 120.708 119.800 -0.002 0.000 3.181 369 Q HA 0.133 4.473 4.340 0.000 0.000 0.293 369 Q C 0.477 176.477 176.000 -0.001 0.000 1.406 369 Q CA -0.273 55.529 55.803 -0.001 0.000 1.026 369 Q CB 0.583 29.320 28.738 -0.003 0.000 1.630 369 Q HN 0.532 nan 8.270 nan 0.000 0.553 370 M N -0.072 119.529 119.600 0.001 0.000 2.288 370 M HA -0.051 4.429 4.480 0.000 0.000 0.266 370 M C 2.056 178.355 176.300 -0.002 0.000 1.072 370 M CA 0.919 56.219 55.300 0.001 0.000 1.132 370 M CB -1.048 31.555 32.600 0.005 0.000 1.386 370 M HN 0.554 nan 8.290 nan 0.000 0.432 371 A N -0.050 122.770 122.820 0.000 0.000 1.940 371 A HA -0.195 4.125 4.320 0.000 0.000 0.219 371 A C 2.330 179.910 177.584 -0.006 0.000 1.176 371 A CA 1.785 53.821 52.037 -0.001 0.000 0.631 371 A CB -0.651 18.350 19.000 0.002 0.000 0.814 371 A HN 0.459 nan 8.150 nan 0.000 0.446 372 M N -0.836 118.760 119.600 -0.007 0.000 2.175 372 M HA -0.043 4.438 4.480 0.000 0.000 0.264 372 M C 1.934 178.223 176.300 -0.017 0.000 1.063 372 M CA 1.447 56.741 55.300 -0.010 0.000 1.119 372 M CB -0.282 32.314 32.600 -0.008 0.000 1.377 372 M HN 0.457 nan 8.290 nan 0.000 0.415 373 I N -0.522 120.038 120.570 -0.016 0.000 2.252 373 I HA -0.253 3.917 4.170 0.000 0.000 0.245 373 I C 2.552 178.651 176.117 -0.030 0.000 1.102 373 I CA 1.138 62.424 61.300 -0.024 0.000 1.385 373 I CB -0.613 37.377 38.000 -0.016 0.000 1.064 373 I HN 0.282 nan 8.210 nan 0.000 0.414 374 A N 0.731 123.538 122.820 -0.023 0.000 1.883 374 A HA -0.267 4.053 4.320 0.000 0.000 0.217 374 A C 2.331 179.897 177.584 -0.029 0.000 1.186 374 A CA 1.880 53.902 52.037 -0.026 0.000 0.624 374 A CB -0.578 18.412 19.000 -0.017 0.000 0.822 374 A HN 0.228 nan 8.150 nan 0.000 0.444 375 R N -0.486 119.999 120.500 -0.024 0.000 2.120 375 R HA -0.114 4.226 4.340 0.000 0.000 0.234 375 R C 2.097 178.377 176.300 -0.034 0.000 1.123 375 R CA 1.658 57.743 56.100 -0.024 0.000 0.975 375 R CB -0.316 29.974 30.300 -0.018 0.000 0.866 375 R HN 0.695 nan 8.270 nan 0.000 0.446 376 E N 0.069 120.244 120.200 -0.041 0.000 2.072 376 E HA -0.059 4.291 4.350 0.000 0.000 0.190 376 E C 1.654 178.212 176.600 -0.070 0.000 0.982 376 E CA 1.230 57.596 56.400 -0.057 0.000 0.803 376 E CB -0.135 29.526 29.700 -0.066 0.000 0.755 376 E HN 0.331 nan 8.360 nan 0.000 0.453 377 I N 0.769 121.298 120.570 -0.068 0.000 2.286 377 I HA -0.242 3.928 4.170 0.000 0.000 0.248 377 I C 2.291 178.371 176.117 -0.060 0.000 1.115 377 I CA 1.368 62.625 61.300 -0.072 0.000 1.392 377 I CB -0.331 37.631 38.000 -0.064 0.000 1.065 377 I HN 0.193 nan 8.210 nan 0.000 0.418 378 E N 0.266 120.437 120.200 -0.049 0.000 2.085 378 E HA -0.309 4.041 4.350 0.000 0.000 0.194 378 E C 2.142 178.718 176.600 -0.039 0.000 0.994 378 E CA 1.344 57.720 56.400 -0.041 0.000 0.801 378 E CB -0.084 29.597 29.700 -0.031 0.000 0.743 378 E HN 0.341 nan 8.360 nan 0.000 0.453 379 Q N 1.277 121.053 119.800 -0.041 0.000 2.079 379 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 379 Q C 1.644 177.618 176.000 -0.044 0.000 0.974 379 Q CA 1.596 57.377 55.803 -0.037 0.000 0.840 379 Q CB 0.113 28.830 28.738 -0.036 0.000 0.898 379 Q HN 0.063 nan 8.270 nan 0.000 0.430 380 K N -0.658 119.708 120.400 -0.057 0.000 2.155 380 K HA 0.000 4.320 4.320 0.000 0.000 0.203 380 K C 1.658 178.225 176.600 -0.056 0.000 1.052 380 K CA 1.066 57.315 56.287 -0.064 0.000 0.948 380 K CB 0.153 32.598 32.500 -0.092 0.000 0.728 380 K HN 0.255 nan 8.250 nan 0.000 0.448 381 L N -0.437 120.754 121.223 -0.054 0.000 2.609 381 L HA 0.112 4.452 4.340 0.000 0.000 0.230 381 L C 0.194 177.040 176.870 -0.041 0.000 1.087 381 L CA -0.221 54.589 54.840 -0.050 0.000 0.874 381 L CB -0.071 41.955 42.059 -0.056 0.000 1.114 381 L HN 0.207 nan 8.230 nan 0.000 0.488 382 N N 1.213 119.891 118.700 -0.037 0.000 2.758 382 N HA -0.207 4.533 4.740 0.000 0.000 0.248 382 N C -0.822 174.670 175.510 -0.031 0.000 1.076 382 N CA 0.504 53.537 53.050 -0.029 0.000 0.696 382 N CB -1.191 37.281 38.487 -0.024 0.000 0.979 382 N HN 0.357 nan 8.380 nan 0.000 0.550 383 I N -0.258 120.290 120.570 -0.037 0.000 2.608 383 I HA 0.265 4.435 4.170 0.000 0.000 0.295 383 I C -0.153 175.938 176.117 -0.043 0.000 1.049 383 I CA -1.077 60.198 61.300 -0.042 0.000 1.063 383 I CB 1.539 39.507 38.000 -0.053 0.000 1.248 383 I HN -0.039 nan 8.210 nan 0.000 0.424 384 D N 4.626 125.000 120.400 -0.043 0.000 2.458 384 D HA 0.188 4.828 4.640 0.000 0.000 0.243 384 D C -0.516 175.749 176.300 -0.059 0.000 1.146 384 D CA 0.438 54.413 54.000 -0.041 0.000 0.877 384 D CB 1.200 41.980 40.800 -0.035 0.000 1.176 384 D HN 0.001 nan 8.370 nan 0.000 0.461 385 V N 3.864 123.750 119.914 -0.046 0.000 2.487 385 V HA 0.290 4.410 4.120 0.000 0.000 0.298 385 V C 0.033 176.107 176.094 -0.033 0.000 1.028 385 V CA -0.739 61.530 62.300 -0.052 0.000 0.860 385 V CB 1.582 33.378 31.823 -0.045 0.000 0.991 385 V HN 0.455 nan 8.190 nan 0.000 0.427 386 Q N 4.569 124.347 119.800 -0.037 0.000 2.399 386 Q HA 0.772 5.112 4.340 0.000 0.000 0.276 386 Q C -1.225 174.775 176.000 0.001 0.000 1.098 386 Q CA -0.965 54.835 55.803 -0.004 0.000 0.827 386 Q CB 2.889 31.642 28.738 0.025 0.000 1.386 386 Q HN 0.587 nan 8.270 nan 0.000 0.443 387 I N 1.470 122.051 120.570 0.019 0.000 2.365 387 I HA 0.380 4.550 4.170 0.000 0.000 0.291 387 I C 0.676 176.819 176.117 0.044 0.000 1.004 387 I CA -0.438 60.876 61.300 0.023 0.000 1.311 387 I CB 1.380 39.392 38.000 0.021 0.000 1.401 387 I HN 0.851 nan 8.210 nan 0.000 0.491 388 G N 3.641 112.469 108.800 0.047 0.000 2.510 388 G HA2 0.520 4.480 3.960 0.000 0.000 0.280 388 G HA3 0.520 4.480 3.960 0.000 0.000 0.280 388 G C 0.394 175.331 174.900 0.061 0.000 1.386 388 G CA -0.201 44.940 45.100 0.069 0.000 1.047 388 G HN 0.730 nan 8.290 nan 0.000 0.527 389 G N -0.957 107.883 108.800 0.067 0.000 2.485 389 G HA2 0.531 4.491 3.960 0.000 0.000 0.260 389 G HA3 0.531 4.491 3.960 0.000 0.000 0.260 389 G C 0.490 175.421 174.900 0.052 0.000 1.459 389 G CA 0.299 45.433 45.100 0.056 0.000 1.060 389 G HN 1.105 nan 8.290 nan 0.000 0.546 390 A N -1.049 121.802 122.820 0.050 0.000 2.477 390 A HA 0.292 4.612 4.320 0.000 0.000 0.246 390 A C 1.267 178.885 177.584 0.058 0.000 1.078 390 A CA 0.585 52.654 52.037 0.055 0.000 0.770 390 A CB 0.270 19.302 19.000 0.055 0.000 1.011 390 A HN 0.818 nan 8.150 nan 0.000 0.494 391 E N 2.249 122.488 120.200 0.066 0.000 2.118 391 E HA -0.196 4.154 4.350 0.000 0.000 0.195 391 E C 1.983 178.620 176.600 0.061 0.000 0.992 391 E CA 1.414 57.853 56.400 0.066 0.000 0.804 391 E CB -0.130 29.617 29.700 0.078 0.000 0.741 391 E HN 0.836 nan 8.360 nan 0.000 0.458 392 A N 1.204 124.062 122.820 0.064 0.000 1.933 392 A HA -0.250 4.070 4.320 0.000 0.000 0.218 392 A C 2.087 179.688 177.584 0.029 0.000 1.175 392 A CA 1.690 53.749 52.037 0.038 0.000 0.628 392 A CB -0.564 18.448 19.000 0.020 0.000 0.814 392 A HN 0.456 nan 8.150 nan 0.000 0.444 393 E N -0.030 120.191 120.200 0.035 0.000 2.072 393 E HA -0.114 4.236 4.350 0.000 0.000 0.191 393 E C 2.163 178.784 176.600 0.035 0.000 0.985 393 E CA 1.002 57.421 56.400 0.031 0.000 0.801 393 E CB -0.254 29.467 29.700 0.036 0.000 0.750 393 E HN 0.508 nan 8.360 nan 0.000 0.452 394 A N 1.454 124.300 122.820 0.043 0.000 1.902 394 A HA -0.110 4.210 4.320 0.000 0.000 0.217 394 A C 2.432 180.037 177.584 0.036 0.000 1.181 394 A CA 1.941 54.005 52.037 0.046 0.000 0.623 394 A CB -0.824 18.206 19.000 0.050 0.000 0.818 394 A HN 0.422 nan 8.150 nan 0.000 0.443 395 A N -0.026 122.814 122.820 0.032 0.000 1.883 395 A HA -0.131 4.189 4.320 0.000 0.000 0.217 395 A C 2.148 179.742 177.584 0.017 0.000 1.186 395 A CA 1.649 53.701 52.037 0.025 0.000 0.624 395 A CB -0.655 18.360 19.000 0.025 0.000 0.822 395 A HN 0.504 nan 8.150 nan 0.000 0.444 396 I N -0.293 120.286 120.570 0.014 0.000 2.179 396 I HA -0.264 3.906 4.170 0.000 0.000 0.242 396 I C 2.380 178.500 176.117 0.004 0.000 1.088 396 I CA 1.155 62.458 61.300 0.005 0.000 1.357 396 I CB -0.321 37.680 38.000 0.003 0.000 1.051 396 I HN 0.307 nan 8.210 nan 0.000 0.409 397 L N 0.243 121.474 121.223 0.014 0.000 2.083 397 L HA -0.153 4.187 4.340 0.000 0.000 0.209 397 L C 2.670 179.548 176.870 0.013 0.000 1.083 397 L CA 1.563 56.412 54.840 0.016 0.000 0.752 397 L CB -1.233 40.845 42.059 0.032 0.000 0.899 397 L HN 0.340 nan 8.230 nan 0.000 0.433 398 G N -0.301 108.510 108.800 0.017 0.000 2.421 398 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 398 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 398 G C 1.782 176.685 174.900 0.004 0.000 1.171 398 G CA 0.774 45.883 45.100 0.014 0.000 0.775 398 G HN 0.459 nan 8.290 nan 0.000 0.543 399 A N 0.441 123.262 122.820 0.002 0.000 1.978 399 A HA 0.098 4.418 4.320 0.000 0.000 0.220 399 A C 2.298 179.873 177.584 -0.015 0.000 1.170 399 A CA 1.078 53.113 52.037 -0.003 0.000 0.636 399 A CB -0.356 18.643 19.000 -0.002 0.000 0.810 399 A HN 0.363 nan 8.150 nan 0.000 0.448 400 L N 0.283 121.494 121.223 -0.021 0.000 2.622 400 L HA -0.059 4.281 4.340 0.000 0.000 0.233 400 L C 2.291 179.140 176.870 -0.035 0.000 1.156 400 L CA 1.209 56.025 54.840 -0.040 0.000 0.866 400 L CB -0.340 41.694 42.059 -0.042 0.000 0.980 400 L HN 0.632 nan 8.230 nan 0.000 0.448 401 T N -5.303 109.239 114.554 -0.019 0.000 3.129 401 T HA 0.010 4.360 4.350 0.000 0.000 0.251 401 T C 0.862 175.552 174.700 -0.016 0.000 1.117 401 T CA -0.161 61.929 62.100 -0.017 0.000 1.034 401 T CB -0.486 68.377 68.868 -0.008 0.000 0.968 401 T HN 0.020 nan 8.240 nan 0.000 0.526 402 T N 5.641 120.185 114.554 -0.017 0.000 2.799 402 T HA 0.297 4.647 4.350 0.000 0.000 0.296 402 T C -2.448 172.243 174.700 -0.016 0.000 0.947 402 T CA -0.987 61.107 62.100 -0.010 0.000 1.141 402 T CB 0.855 69.722 68.868 -0.002 0.000 0.891 402 T HN 0.276 nan 8.240 nan 0.000 0.533 403 P HA 0.211 nan 4.420 nan 0.000 0.268 403 P C 1.010 178.312 177.300 0.004 0.000 1.205 403 P CA 0.316 63.412 63.100 -0.007 0.000 0.771 403 P CB 0.500 32.201 31.700 0.001 0.000 0.858 404 G N 1.137 109.934 108.800 -0.004 0.000 2.195 404 G HA2 -0.201 3.759 3.960 0.000 0.000 0.246 404 G HA3 -0.201 3.759 3.960 0.000 0.000 0.246 404 G C 0.294 175.174 174.900 -0.032 0.000 0.984 404 G CA 0.371 45.488 45.100 0.029 0.000 0.633 404 G HN 0.897 nan 8.290 nan 0.000 0.525 405 T N -1.745 112.727 114.554 -0.135 0.000 2.934 405 T HA 0.735 5.085 4.350 0.000 0.000 0.283 405 T C -0.164 174.262 174.700 -0.458 0.000 1.005 405 T CA 0.498 62.383 62.100 -0.359 0.000 1.041 405 T CB 2.769 71.520 68.868 -0.196 0.000 1.042 405 T HN 1.129 nan 8.240 nan 0.000 0.505 406 T N -0.048 114.074 114.554 -0.720 0.000 2.786 406 T HA 0.421 4.771 4.350 0.000 0.000 0.316 406 T C -1.161 173.305 174.700 -0.391 0.000 1.503 406 T CA -0.943 60.888 62.100 -0.450 0.000 1.019 406 T CB 1.269 69.913 68.868 -0.372 0.000 1.415 406 T HN 0.799 nan 8.240 nan 0.000 0.496 407 R N 2.305 122.690 120.500 -0.193 0.000 2.539 407 R HA 0.450 4.790 4.340 0.000 0.000 0.275 407 R C -2.116 174.152 176.300 -0.055 0.000 1.077 407 R CA -1.468 54.571 56.100 -0.101 0.000 1.097 407 R CB 0.126 30.391 30.300 -0.059 0.000 1.018 407 R HN 0.443 nan 8.270 nan 0.000 0.483 408 P HA 0.137 nan 4.420 nan 0.000 0.275 408 P C -1.048 176.277 177.300 0.043 0.000 1.228 408 P CA -0.210 62.902 63.100 0.020 0.000 0.786 408 P CB 0.933 32.657 31.700 0.039 0.000 0.927 409 L N 1.502 122.738 121.223 0.021 0.000 2.482 409 L HA 0.723 5.063 4.340 0.000 0.000 0.263 409 L C -1.183 175.705 176.870 0.029 0.000 0.957 409 L CA -0.620 54.245 54.840 0.042 0.000 0.836 409 L CB 1.976 44.020 42.059 -0.025 0.000 1.324 409 L HN 0.472 nan 8.230 nan 0.000 0.406 410 A N 5.182 128.027 122.820 0.041 0.000 2.325 410 A HA 0.824 5.144 4.320 0.000 0.000 0.333 410 A C -0.700 176.890 177.584 0.011 0.000 1.155 410 A CA -0.645 51.399 52.037 0.011 0.000 0.814 410 A CB 0.987 19.983 19.000 -0.006 0.000 1.206 410 A HN 0.765 nan 8.150 nan 0.000 0.482 411 I N -0.761 119.807 120.570 -0.003 0.000 2.603 411 I HA 0.695 4.865 4.170 0.000 0.000 0.300 411 I C -1.248 174.863 176.117 -0.011 0.000 1.017 411 I CA -0.920 60.378 61.300 -0.003 0.000 1.098 411 I CB 1.775 39.774 38.000 -0.003 0.000 1.279 411 I HN 0.427 nan 8.210 nan 0.000 0.437 412 L N 4.492 125.709 121.223 -0.010 0.000 2.294 412 L HA 0.403 4.743 4.340 0.000 0.000 0.283 412 L C -0.736 176.130 176.870 -0.007 0.000 1.015 412 L CA -0.317 54.519 54.840 -0.006 0.000 0.831 412 L CB 1.196 43.251 42.059 -0.007 0.000 1.217 412 L HN 0.627 nan 8.230 nan 0.000 0.420 413 D N 5.453 125.857 120.400 0.008 0.000 2.467 413 D HA 0.281 4.921 4.640 0.000 0.000 0.220 413 D C -0.608 175.716 176.300 0.040 0.000 1.103 413 D CA -0.239 53.771 54.000 0.016 0.000 0.886 413 D CB 0.845 41.661 40.800 0.027 0.000 1.025 413 D HN 0.336 nan 8.370 nan 0.000 0.514 414 L N 3.748 124.977 121.223 0.009 0.000 2.270 414 L HA 0.506 4.847 4.340 0.000 0.000 0.286 414 L C 1.216 178.128 176.870 0.070 0.000 1.059 414 L CA -0.688 54.176 54.840 0.041 0.000 0.839 414 L CB 1.379 43.315 42.059 -0.205 0.000 1.221 414 L HN 0.290 nan 8.230 nan 0.000 0.431 415 G N 1.294 110.181 108.800 0.146 0.000 2.940 415 G HA2 0.556 4.516 3.960 0.000 0.000 0.164 415 G HA3 0.556 4.516 3.960 0.000 0.000 0.164 415 G C 0.651 175.646 174.900 0.158 0.000 1.326 415 G CA 0.387 45.559 45.100 0.120 0.000 1.020 415 G HN 0.547 nan 8.290 nan 0.000 0.586 416 A N -1.391 121.495 122.820 0.111 0.000 1.901 416 A HA 0.396 4.716 4.320 0.000 0.000 0.210 416 A C 2.246 179.872 177.584 0.071 0.000 1.208 416 A CA 1.752 53.846 52.037 0.095 0.000 0.644 416 A CB -0.490 18.551 19.000 0.067 0.000 0.863 416 A HN 1.010 nan 8.150 nan 0.000 0.454 417 G N -0.873 107.966 108.800 0.064 0.000 2.887 417 G HA2 0.383 4.343 3.960 0.000 0.000 0.211 417 G HA3 0.383 4.343 3.960 0.000 0.000 0.211 417 G C 0.427 175.357 174.900 0.049 0.000 1.152 417 G CA 1.077 46.204 45.100 0.045 0.000 0.769 417 G HN 1.139 nan 8.290 nan 0.000 0.541 418 S N -1.728 114.018 115.700 0.077 0.000 2.567 418 S HA 0.504 4.974 4.470 0.000 0.000 0.270 418 S C -1.167 173.509 174.600 0.127 0.000 1.152 418 S CA -0.605 57.649 58.200 0.090 0.000 0.835 418 S CB 1.652 64.916 63.200 0.107 0.000 1.115 418 S HN -0.102 nan 8.310 nan 0.000 0.459 419 T N 2.703 117.330 114.554 0.121 0.000 2.781 419 T HA 0.464 4.814 4.350 0.000 0.000 0.305 419 T C -1.284 173.473 174.700 0.095 0.000 1.001 419 T CA -0.289 61.897 62.100 0.143 0.000 0.950 419 T CB 0.145 69.103 68.868 0.151 0.000 0.955 419 T HN 0.517 nan 8.240 nan 0.000 0.471 420 D N 2.701 123.150 120.400 0.081 0.000 2.198 420 D HA 0.620 5.260 4.640 0.000 0.000 0.245 420 D C -0.367 175.912 176.300 -0.036 0.000 1.079 420 D CA -0.275 53.729 54.000 0.007 0.000 0.854 420 D CB 1.573 42.409 40.800 0.060 0.000 1.148 420 D HN 0.587 nan 8.370 nan 0.000 0.456 421 A N 1.353 124.112 122.820 -0.102 0.000 2.393 421 A HA 0.747 5.067 4.320 0.000 0.000 0.306 421 A C -0.489 177.037 177.584 -0.097 0.000 1.050 421 A CA -0.595 51.399 52.037 -0.071 0.000 0.724 421 A CB 1.267 20.238 19.000 -0.049 0.000 1.248 421 A HN 0.515 nan 8.150 nan 0.000 0.424 422 S N 1.005 116.668 115.700 -0.061 0.000 2.607 422 S HA 0.839 5.309 4.470 0.000 0.000 0.273 422 S C -0.891 173.691 174.600 -0.029 0.000 1.148 422 S CA -0.591 57.578 58.200 -0.052 0.000 0.833 422 S CB 1.339 64.510 63.200 -0.048 0.000 1.130 422 S HN 1.426 nan 8.310 nan 0.000 0.470 423 I N 0.850 121.406 120.570 -0.023 0.000 2.802 423 I HA 0.682 4.852 4.170 0.000 0.000 0.298 423 I C -1.897 174.215 176.117 -0.009 0.000 1.176 423 I CA -1.274 60.018 61.300 -0.013 0.000 1.025 423 I CB 1.840 39.831 38.000 -0.014 0.000 1.243 423 I HN 0.926 nan 8.210 nan 0.000 0.424 424 I N 6.078 126.645 120.570 -0.006 0.000 2.608 424 I HA 0.464 4.634 4.170 0.000 0.000 0.295 424 I C -1.194 174.920 176.117 -0.005 0.000 1.049 424 I CA -0.503 60.794 61.300 -0.006 0.000 1.063 424 I CB 1.756 39.751 38.000 -0.009 0.000 1.248 424 I HN 0.757 nan 8.210 nan 0.000 0.424 425 N N 7.269 125.967 118.700 -0.004 0.000 2.502 425 N HA 0.572 5.312 4.740 0.000 0.000 0.280 425 N C -2.315 173.191 175.510 -0.006 0.000 1.223 425 N CA -1.898 51.151 53.050 -0.002 0.000 0.966 425 N CB 0.039 38.526 38.487 0.001 0.000 1.203 425 N HN 0.234 nan 8.380 nan 0.000 0.565 426 P HA -0.196 nan 4.420 nan 0.000 0.216 426 P C 0.440 177.735 177.300 -0.009 0.000 1.150 426 P CA 1.814 64.908 63.100 -0.010 0.000 0.843 426 P CB 0.161 31.858 31.700 -0.006 0.000 0.787 427 K N -1.376 119.021 120.400 -0.005 0.000 2.209 427 K HA 0.026 4.346 4.320 0.000 0.000 0.204 427 K C 1.626 178.224 176.600 -0.004 0.000 1.048 427 K CA 1.203 57.488 56.287 -0.004 0.000 0.940 427 K CB -0.522 31.977 32.500 -0.002 0.000 0.729 427 K HN 0.278 nan 8.250 nan 0.000 0.451 428 G N 1.673 110.470 108.800 -0.004 0.000 2.184 428 G HA2 -0.160 3.800 3.960 0.000 0.000 0.206 428 G HA3 -0.160 3.800 3.960 0.000 0.000 0.206 428 G C -0.680 174.220 174.900 0.000 0.000 0.995 428 G CA -0.206 44.892 45.100 -0.003 0.000 0.651 428 G HN 0.207 nan 8.290 nan 0.000 0.511 429 D N 0.477 120.877 120.400 0.000 0.000 2.424 429 D HA 0.475 5.115 4.640 0.000 0.000 0.244 429 D C 0.709 177.009 176.300 0.001 0.000 1.134 429 D CA 0.547 54.548 54.000 0.002 0.000 0.881 429 D CB 1.128 41.929 40.800 0.001 0.000 1.191 429 D HN 0.361 nan 8.370 nan 0.000 0.445 430 I N 2.910 123.481 120.570 0.003 0.000 2.465 430 I HA 0.266 4.436 4.170 0.000 0.000 0.291 430 I C -0.341 175.776 176.117 -0.001 0.000 1.014 430 I CA -0.801 60.499 61.300 0.001 0.000 1.093 430 I CB 1.740 39.742 38.000 0.005 0.000 1.267 430 I HN 0.035 nan 8.210 nan 0.000 0.431 431 I N 5.007 125.572 120.570 -0.008 0.000 2.441 431 I HA 0.687 4.857 4.170 0.000 0.000 0.295 431 I C 0.092 176.191 176.117 -0.030 0.000 0.994 431 I CA -0.430 60.862 61.300 -0.013 0.000 1.144 431 I CB 1.663 39.654 38.000 -0.014 0.000 1.314 431 I HN 0.610 nan 8.210 nan 0.000 0.445 432 A N 4.083 126.879 122.820 -0.040 0.000 2.475 432 A HA 0.836 5.156 4.320 0.000 0.000 0.301 432 A C -0.548 176.947 177.584 -0.149 0.000 1.059 432 A CA -0.513 51.465 52.037 -0.097 0.000 0.710 432 A CB 2.224 21.175 19.000 -0.082 0.000 1.288 432 A HN 0.657 nan 8.150 nan 0.000 0.408 433 T N -0.195 114.193 114.554 -0.275 0.000 2.841 433 T HA 0.700 5.050 4.350 0.000 0.000 0.296 433 T C -1.778 172.595 174.700 -0.545 0.000 1.166 433 T CA -0.422 61.515 62.100 -0.272 0.000 1.007 433 T CB 1.035 69.845 68.868 -0.098 0.000 1.253 433 T HN 0.763 nan 8.240 nan 0.000 0.511 434 H N 0.964 120.048 119.070 0.024 0.000 2.840 434 H HA 0.638 5.194 4.556 -0.000 0.000 0.340 434 H C -1.148 174.196 175.328 0.025 0.000 1.004 434 H CA -0.567 55.497 56.048 0.028 0.000 1.288 434 H CB 1.064 30.843 29.762 0.029 0.000 1.607 434 H HN 0.229 nan 8.280 nan 0.000 0.522 435 L N 1.886 123.176 121.223 0.113 0.000 2.334 435 L HA 0.678 5.018 4.340 0.000 0.000 0.273 435 L C 0.447 177.355 176.870 0.063 0.000 1.013 435 L CA -0.730 54.153 54.840 0.071 0.000 0.816 435 L CB 1.557 43.642 42.059 0.043 0.000 1.278 435 L HN 0.786 nan 8.230 nan 0.000 0.431 436 A N 1.476 124.319 122.820 0.039 0.000 2.445 436 A HA 0.585 4.905 4.320 0.000 0.000 0.242 436 A C 0.607 178.181 177.584 -0.017 0.000 1.075 436 A CA 0.485 52.531 52.037 0.016 0.000 0.777 436 A CB -0.332 18.674 19.000 0.010 0.000 1.013 436 A HN 1.275 nan 8.150 nan 0.000 0.493 437 G N -0.135 108.640 108.800 -0.041 0.000 3.383 437 G HA2 0.526 4.487 3.960 0.000 0.000 0.685 437 G HA3 0.526 4.487 3.960 0.000 0.000 0.685 437 G C -0.282 174.509 174.900 -0.182 0.000 1.104 437 G CA 0.123 45.153 45.100 -0.117 0.000 0.957 437 G HN 2.391 nan 8.290 nan 0.000 0.461 438 A N 1.447 124.137 122.820 -0.216 0.000 5.139 438 A HA 0.985 5.305 4.320 0.000 0.000 0.164 438 A C 1.935 179.409 177.584 -0.184 0.000 0.803 438 A CA 0.963 52.851 52.037 -0.249 0.000 1.038 438 A CB -0.580 18.501 19.000 0.135 0.000 2.123 438 A HN 2.204 nan 8.150 nan 0.000 0.998 439 G N 0.030 108.942 108.800 0.187 0.000 2.442 439 G HA2 -0.144 3.816 3.960 0.000 0.000 0.219 439 G HA3 -0.144 3.816 3.960 0.000 0.000 0.219 439 G C 0.685 175.617 174.900 0.055 0.000 1.141 439 G CA 1.746 46.967 45.100 0.201 0.000 0.763 439 G HN 0.552 nan 8.290 nan 0.000 0.554 440 D N -0.083 120.328 120.400 0.018 0.000 2.144 440 D HA -0.072 4.568 4.640 0.000 0.000 0.200 440 D C 2.284 178.559 176.300 -0.043 0.000 0.978 440 D CA 0.616 54.609 54.000 -0.012 0.000 0.833 440 D CB -0.218 40.575 40.800 -0.012 0.000 0.961 440 D HN 0.336 nan 8.370 nan 0.000 0.470 441 M N 0.364 119.918 119.600 -0.077 0.000 2.200 441 M HA -0.128 4.353 4.480 0.000 0.000 0.265 441 M C 1.923 178.164 176.300 -0.098 0.000 1.066 441 M CA 0.879 56.120 55.300 -0.098 0.000 1.127 441 M CB 0.197 32.714 32.600 -0.138 0.000 1.379 441 M HN -0.169 nan 8.290 nan 0.000 0.420 442 V N 0.233 120.077 119.914 -0.116 0.000 2.295 442 V HA -0.277 3.843 4.120 0.000 0.000 0.246 442 V C 2.247 178.330 176.094 -0.018 0.000 1.049 442 V CA 2.359 64.620 62.300 -0.065 0.000 1.024 442 V CB -1.259 30.561 31.823 -0.005 0.000 0.648 442 V HN 0.538 nan 8.190 nan 0.000 0.447 443 T N -0.120 114.430 114.554 -0.007 0.000 2.746 443 T HA -0.271 4.079 4.350 0.000 0.000 0.267 443 T C 1.839 176.525 174.700 -0.024 0.000 1.039 443 T CA 2.197 64.294 62.100 -0.004 0.000 1.142 443 T CB -0.300 68.563 68.868 -0.009 0.000 0.866 443 T HN 0.459 nan 8.240 nan 0.000 0.444 444 M N 0.525 120.102 119.600 -0.039 0.000 2.117 444 M HA -0.047 4.433 4.480 0.000 0.000 0.262 444 M C 2.055 178.336 176.300 -0.033 0.000 1.065 444 M CA 1.695 56.969 55.300 -0.043 0.000 1.114 444 M CB -0.330 32.240 32.600 -0.050 0.000 1.361 444 M HN 0.208 nan 8.290 nan 0.000 0.408 445 I N 0.469 121.020 120.570 -0.032 0.000 2.208 445 I HA -0.334 3.836 4.170 0.000 0.000 0.245 445 I C 2.264 178.375 176.117 -0.011 0.000 1.097 445 I CA 1.362 62.647 61.300 -0.024 0.000 1.363 445 I CB -0.411 37.571 38.000 -0.031 0.000 1.051 445 I HN 0.368 nan 8.210 nan 0.000 0.413 446 I N 0.530 121.097 120.570 -0.004 0.000 2.202 446 I HA -0.265 3.905 4.170 0.000 0.000 0.242 446 I C 2.814 178.934 176.117 0.005 0.000 1.091 446 I CA 1.254 62.559 61.300 0.010 0.000 1.368 446 I CB -0.459 37.555 38.000 0.024 0.000 1.058 446 I HN 0.178 nan 8.210 nan 0.000 0.410 447 A N 0.738 123.555 122.820 -0.005 0.000 1.865 447 A HA -0.240 4.080 4.320 0.000 0.000 0.217 447 A C 2.312 179.887 177.584 -0.014 0.000 1.191 447 A CA 1.745 53.775 52.037 -0.012 0.000 0.623 447 A CB -0.500 18.484 19.000 -0.028 0.000 0.826 447 A HN 0.206 nan 8.150 nan 0.000 0.444 448 R N 0.131 120.621 120.500 -0.017 0.000 2.073 448 R HA -0.061 4.279 4.340 0.000 0.000 0.234 448 R C 2.017 178.312 176.300 -0.007 0.000 1.134 448 R CA 1.773 57.863 56.100 -0.015 0.000 0.952 448 R CB -0.617 29.674 30.300 -0.016 0.000 0.850 448 R HN 0.754 nan 8.270 nan 0.000 0.433 449 E N -0.157 120.042 120.200 -0.000 0.000 2.268 449 E HA -0.080 4.270 4.350 0.000 0.000 0.195 449 E C 1.411 178.018 176.600 0.011 0.000 0.995 449 E CA 0.675 57.082 56.400 0.010 0.000 0.836 449 E CB 0.028 29.737 29.700 0.014 0.000 0.763 449 E HN 0.284 nan 8.360 nan 0.000 0.491 450 L N -0.354 120.871 121.223 0.004 0.000 2.592 450 L HA 0.158 4.498 4.340 0.000 0.000 0.227 450 L C 1.190 178.045 176.870 -0.024 0.000 1.127 450 L CA 0.214 55.053 54.840 -0.001 0.000 0.884 450 L CB 0.130 42.193 42.059 0.007 0.000 1.065 450 L HN 0.211 nan 8.230 nan 0.000 0.457 451 G N 0.926 109.708 108.800 -0.029 0.000 2.176 451 G HA2 -0.267 3.693 3.960 0.000 0.000 0.252 451 G HA3 -0.267 3.693 3.960 0.000 0.000 0.252 451 G C -0.214 174.661 174.900 -0.041 0.000 1.024 451 G CA -0.197 44.873 45.100 -0.050 0.000 0.755 451 G HN 0.104 nan 8.290 nan 0.000 0.507 452 L N -0.374 120.833 121.223 -0.025 0.000 2.312 452 L HA 0.658 4.998 4.340 0.000 0.000 0.281 452 L C 1.273 178.132 176.870 -0.018 0.000 1.070 452 L CA -0.151 54.679 54.840 -0.017 0.000 0.805 452 L CB 1.643 43.699 42.059 -0.005 0.000 1.174 452 L HN 0.182 nan 8.230 nan 0.000 0.434 453 E N 0.346 120.539 120.200 -0.012 0.000 2.251 453 E HA -0.012 4.338 4.350 0.000 0.000 0.194 453 E C -0.221 176.378 176.600 -0.001 0.000 0.964 453 E CA 0.298 56.692 56.400 -0.010 0.000 0.868 453 E CB 0.204 29.900 29.700 -0.005 0.000 0.828 453 E HN 0.520 nan 8.360 nan 0.000 0.481 454 D N 0.144 120.556 120.400 0.019 0.000 2.374 454 D HA 0.019 4.659 4.640 0.000 0.000 0.240 454 D C 0.869 177.178 176.300 0.015 0.000 1.229 454 D CA 0.001 54.034 54.000 0.055 0.000 0.895 454 D CB 0.580 41.433 40.800 0.088 0.000 1.046 454 D HN -0.163 nan 8.370 nan 0.000 0.498 455 R N 2.912 123.363 120.500 -0.082 0.000 2.189 455 R HA -0.095 4.245 4.340 0.000 0.000 0.223 455 R C 1.028 177.211 176.300 -0.194 0.000 1.092 455 R CA 1.352 57.346 56.100 -0.176 0.000 0.989 455 R CB -0.369 29.755 30.300 -0.292 0.000 0.876 455 R HN 0.540 nan 8.270 nan 0.000 0.457 456 Y N -1.045 119.266 120.300 0.019 0.000 2.263 456 Y HA -0.105 4.445 4.550 0.000 0.000 0.292 456 Y C 1.810 177.733 175.900 0.037 0.000 1.130 456 Y CA 0.828 58.945 58.100 0.028 0.000 1.179 456 Y CB -0.213 38.258 38.460 0.020 0.000 0.998 456 Y HN 0.062 nan 8.280 nan 0.000 0.532 457 L N 0.350 121.675 121.223 0.170 0.000 2.056 457 L HA -0.116 4.224 4.340 0.000 0.000 0.207 457 L C 2.364 179.289 176.870 0.092 0.000 1.078 457 L CA 1.898 56.806 54.840 0.112 0.000 0.749 457 L CB -1.014 41.092 42.059 0.078 0.000 0.901 457 L HN 0.134 nan 8.230 nan 0.000 0.433 458 A N -0.660 122.196 122.820 0.060 0.000 1.933 458 A HA -0.265 4.055 4.320 0.000 0.000 0.218 458 A C 2.253 179.877 177.584 0.066 0.000 1.175 458 A CA 1.723 53.788 52.037 0.047 0.000 0.628 458 A CB -0.714 18.292 19.000 0.010 0.000 0.814 458 A HN 0.586 nan 8.150 nan 0.000 0.444 459 E N 0.239 120.478 120.200 0.066 0.000 2.077 459 E HA -0.198 4.152 4.350 0.000 0.000 0.193 459 E C 1.871 178.555 176.600 0.140 0.000 0.989 459 E CA 1.632 58.084 56.400 0.087 0.000 0.800 459 E CB -0.144 29.608 29.700 0.086 0.000 0.746 459 E HN 0.596 nan 8.360 nan 0.000 0.452 460 E N 0.249 120.556 120.200 0.178 0.000 2.072 460 E HA -0.156 4.194 4.350 0.000 0.000 0.191 460 E C 2.340 179.103 176.600 0.271 0.000 0.985 460 E CA 1.123 57.683 56.400 0.266 0.000 0.801 460 E CB -0.256 29.564 29.700 0.202 0.000 0.750 460 E HN 0.460 nan 8.360 nan 0.000 0.452 461 I N 1.310 121.987 120.570 0.179 0.000 2.361 461 I HA -0.265 3.905 4.170 0.000 0.000 0.251 461 I C 2.659 178.884 176.117 0.180 0.000 1.133 461 I CA 1.064 62.463 61.300 0.166 0.000 1.413 461 I CB -0.209 37.858 38.000 0.112 0.000 1.073 461 I HN 0.047 nan 8.210 nan 0.000 0.424 462 K N 1.511 121.997 120.400 0.145 0.000 2.057 462 K HA -0.191 4.129 4.320 0.000 0.000 0.207 462 K C 1.888 178.587 176.600 0.164 0.000 1.049 462 K CA 1.529 57.893 56.287 0.129 0.000 0.931 462 K CB 0.088 32.643 32.500 0.091 0.000 0.714 462 K HN 0.248 nan 8.250 nan 0.000 0.440 463 K N -1.027 119.422 120.400 0.083 0.000 2.356 463 K HA 0.043 4.363 4.320 0.000 0.000 0.195 463 K C -0.372 175.968 176.600 -0.434 0.000 1.037 463 K CA 0.281 56.459 56.287 -0.182 0.000 1.014 463 K CB 0.437 32.652 32.500 -0.476 0.000 0.815 463 K HN 0.059 nan 8.250 nan 0.000 0.507 464 Y N 0.432 120.805 120.300 0.122 0.000 2.524 464 Y HA 0.291 4.841 4.550 0.000 0.000 0.347 464 Y C -2.436 173.335 175.900 -0.215 0.000 1.005 464 Y CA -3.122 54.865 58.100 -0.188 0.000 1.025 464 Y CB 1.376 39.778 38.460 -0.097 0.000 1.275 464 Y HN -0.129 nan 8.280 nan 0.000 0.460 465 P HA 0.267 nan 4.420 nan 0.000 0.274 465 P C -0.882 176.454 177.300 0.060 0.000 1.256 465 P CA -0.211 62.828 63.100 -0.102 0.000 0.795 465 P CB 1.352 32.919 31.700 -0.222 0.000 1.038 466 L N 0.071 121.359 121.223 0.108 0.000 2.358 466 L HA 0.798 5.138 4.340 0.000 0.000 0.268 466 L C 0.455 177.375 176.870 0.084 0.000 1.032 466 L CA -0.849 54.044 54.840 0.088 0.000 0.805 466 L CB 1.379 43.489 42.059 0.084 0.000 1.253 466 L HN 0.435 nan 8.230 nan 0.000 0.452 467 A N 1.205 124.040 122.820 0.024 0.000 2.539 467 A HA 0.725 5.045 4.320 0.000 0.000 0.296 467 A C -1.458 176.091 177.584 -0.058 0.000 1.073 467 A CA -0.644 51.369 52.037 -0.041 0.000 0.700 467 A CB 1.918 20.822 19.000 -0.160 0.000 1.296 467 A HN 0.499 nan 8.150 nan 0.000 0.405 468 K N 1.093 121.449 120.400 -0.074 0.000 2.265 468 K HA 0.546 4.866 4.320 0.000 0.000 0.267 468 K C -1.130 175.391 176.600 -0.131 0.000 0.994 468 K CA -0.295 55.940 56.287 -0.086 0.000 0.860 468 K CB 1.167 33.628 32.500 -0.064 0.000 1.099 468 K HN 0.431 nan 8.250 nan 0.000 0.448 469 V N 5.968 125.796 119.914 -0.144 0.000 2.415 469 V HA 0.068 4.188 4.120 0.000 0.000 0.267 469 V C 0.781 176.739 176.094 -0.227 0.000 1.042 469 V CA 0.263 62.457 62.300 -0.177 0.000 1.000 469 V CB 0.667 32.403 31.823 -0.145 0.000 1.015 469 V HN 0.893 nan 8.190 nan 0.000 0.478 470 E N 2.673 122.674 120.200 -0.332 0.000 2.431 470 E HA 0.126 4.476 4.350 0.000 0.000 0.200 470 E C 0.730 177.157 176.600 -0.288 0.000 0.995 470 E CA 0.513 56.704 56.400 -0.348 0.000 0.915 470 E CB 0.832 30.273 29.700 -0.432 0.000 0.930 470 E HN 0.799 nan 8.360 nan 0.000 0.496 471 S N -1.381 114.154 115.700 -0.274 0.000 2.703 471 S HA 0.219 4.689 4.470 0.000 0.000 0.273 471 S C 0.465 175.048 174.600 -0.027 0.000 1.178 471 S CA -0.780 57.416 58.200 -0.008 0.000 0.838 471 S CB 0.276 63.606 63.200 0.218 0.000 1.178 471 S HN 0.031 nan 8.310 nan 0.000 0.494 472 L N -0.375 120.752 121.223 -0.160 0.000 2.187 472 L HA 0.043 4.383 4.340 0.000 0.000 0.213 472 L C 1.109 177.587 176.870 -0.653 0.000 1.100 472 L CA 1.674 56.160 54.840 -0.589 0.000 0.765 472 L CB -0.545 40.810 42.059 -1.175 0.000 0.904 472 L HN 0.689 nan 8.230 nan 0.000 0.437 473 F N -2.613 117.341 119.950 0.006 0.000 2.706 473 F HA 0.172 4.699 4.527 0.000 0.000 0.313 473 F C 0.814 176.538 175.800 -0.127 0.000 1.096 473 F CA -0.686 57.185 58.000 -0.214 0.000 1.219 473 F CB 0.432 39.150 39.000 -0.472 0.000 1.051 473 F HN 0.111 nan 8.300 nan 0.000 0.568 474 H N -0.130 118.998 119.070 0.096 0.000 3.017 474 H HA 0.704 5.260 4.556 -0.000 0.000 0.346 474 H C -1.665 173.751 175.328 0.146 0.000 1.286 474 H CA -1.615 54.548 56.048 0.193 0.000 1.120 474 H CB 1.613 31.533 29.762 0.263 0.000 1.860 474 H HN 0.009 nan 8.280 nan 0.000 0.542 475 L N -1.095 120.209 121.223 0.135 0.000 2.376 475 L HA 0.687 5.027 4.340 0.000 0.000 0.258 475 L C -0.409 176.439 176.870 -0.037 0.000 1.013 475 L CA -1.090 53.712 54.840 -0.062 0.000 0.822 475 L CB 2.089 44.100 42.059 -0.081 0.000 1.388 475 L HN 0.764 nan 8.230 nan 0.000 0.413 476 R N 0.984 121.437 120.500 -0.079 0.000 2.288 476 R HA 0.431 4.771 4.340 0.000 0.000 0.326 476 R C -0.664 175.610 176.300 -0.042 0.000 0.959 476 R CA -0.535 55.564 56.100 -0.001 0.000 0.834 476 R CB 0.415 30.741 30.300 0.043 0.000 1.157 476 R HN 0.774 nan 8.270 nan 0.000 0.470 477 H N 2.413 121.530 119.070 0.078 0.000 2.836 477 H HA -0.064 4.492 4.556 -0.000 0.000 0.368 477 H C 0.871 176.234 175.328 0.060 0.000 1.164 477 H CA 0.821 56.907 56.048 0.064 0.000 1.425 477 H CB 1.143 30.943 29.762 0.063 0.000 1.414 477 H HN 0.712 nan 8.280 nan 0.000 0.614 478 E N 0.702 121.017 120.200 0.192 0.000 2.265 478 E HA -0.178 4.172 4.350 0.000 0.000 0.196 478 E C 0.626 177.304 176.600 0.130 0.000 0.996 478 E CA 1.308 57.788 56.400 0.134 0.000 0.832 478 E CB -0.014 29.765 29.700 0.132 0.000 0.756 478 E HN 0.610 nan 8.360 nan 0.000 0.491 479 D N 0.074 120.562 120.400 0.146 0.000 2.349 479 D HA 0.026 4.666 4.640 0.000 0.000 0.224 479 D C 1.410 177.771 176.300 0.101 0.000 1.029 479 D CA 0.780 54.846 54.000 0.110 0.000 0.879 479 D CB 0.364 41.216 40.800 0.088 0.000 0.906 479 D HN 0.376 nan 8.370 nan 0.000 0.528 480 G N -0.011 108.862 108.800 0.122 0.000 2.213 480 G HA2 -0.256 3.704 3.960 0.000 0.000 0.226 480 G HA3 -0.256 3.704 3.960 0.000 0.000 0.226 480 G C 0.352 175.324 174.900 0.119 0.000 0.992 480 G CA 0.252 45.414 45.100 0.103 0.000 0.632 480 G HN 0.798 nan 8.290 nan 0.000 0.511 481 S N -0.199 115.591 115.700 0.150 0.000 2.580 481 S HA 0.701 5.171 4.470 0.000 0.000 0.274 481 S C 0.132 174.866 174.600 0.224 0.000 1.329 481 S CA -0.280 58.016 58.200 0.159 0.000 1.036 481 S CB 2.567 65.844 63.200 0.128 0.000 0.919 481 S HN 0.976 nan 8.310 nan 0.000 0.515 482 V N 2.925 122.949 119.914 0.184 0.000 2.472 482 V HA 0.487 4.607 4.120 0.000 0.000 0.290 482 V C -0.010 176.203 176.094 0.197 0.000 1.037 482 V CA -0.571 61.851 62.300 0.204 0.000 0.908 482 V CB 1.377 33.318 31.823 0.196 0.000 0.985 482 V HN 0.984 nan 8.190 nan 0.000 0.454 483 Q N 3.351 123.269 119.800 0.198 0.000 2.330 483 Q HA 0.520 4.860 4.340 0.000 0.000 0.269 483 Q C -1.849 174.176 176.000 0.042 0.000 1.022 483 Q CA -0.580 55.270 55.803 0.078 0.000 0.796 483 Q CB 2.011 30.799 28.738 0.085 0.000 1.271 483 Q HN 0.677 nan 8.270 nan 0.000 0.450 484 F N 3.637 123.467 119.950 -0.200 0.000 2.422 484 F HA 0.605 5.132 4.527 -0.000 0.000 0.333 484 F C -1.588 174.024 175.800 -0.313 0.000 1.095 484 F CA -0.604 57.353 58.000 -0.073 0.000 1.038 484 F CB 0.853 39.837 39.000 -0.027 0.000 1.156 484 F HN 0.499 nan 8.300 nan 0.000 0.483 485 F N 3.035 122.739 119.950 -0.410 0.000 2.493 485 F HA 0.241 4.768 4.527 -0.000 0.000 0.329 485 F C 0.939 176.568 175.800 -0.284 0.000 1.126 485 F CA -0.672 57.220 58.000 -0.180 0.000 0.937 485 F CB 2.000 40.948 39.000 -0.086 0.000 1.146 485 F HN 0.484 nan 8.300 nan 0.000 0.442 486 S N -0.593 115.199 115.700 0.153 0.000 2.527 486 S HA 0.053 4.523 4.470 0.000 0.000 0.222 486 S C 0.619 175.305 174.600 0.143 0.000 0.985 486 S CA 0.138 58.427 58.200 0.147 0.000 0.921 486 S CB -0.349 62.965 63.200 0.190 0.000 0.772 486 S HN 0.520 nan 8.310 nan 0.000 0.529 487 T N 5.165 119.835 114.554 0.193 0.000 2.795 487 T HA 0.472 4.822 4.350 0.000 0.000 0.282 487 T C -2.794 172.018 174.700 0.187 0.000 0.980 487 T CA -1.516 60.689 62.100 0.176 0.000 1.012 487 T CB 1.490 70.423 68.868 0.109 0.000 0.936 487 T HN 0.162 nan 8.240 nan 0.000 0.457 488 P HA 0.088 nan 4.420 nan 0.000 0.264 488 P C -0.287 176.921 177.300 -0.153 0.000 1.183 488 P CA -0.196 62.866 63.100 -0.063 0.000 0.763 488 P CB 0.546 32.166 31.700 -0.134 0.000 0.807 489 L N 4.958 126.032 121.223 -0.248 0.000 2.452 489 L HA 0.211 4.551 4.340 0.000 0.000 0.267 489 L C -1.378 175.366 176.870 -0.210 0.000 1.188 489 L CA -1.843 52.833 54.840 -0.273 0.000 0.821 489 L CB -0.519 41.354 42.059 -0.309 0.000 1.102 489 L HN 0.319 nan 8.230 nan 0.000 0.470 490 P HA 0.033 nan 4.420 nan 0.000 0.266 490 P C -2.163 175.066 177.300 -0.119 0.000 1.195 490 P CA -1.201 61.817 63.100 -0.137 0.000 0.768 490 P CB 0.060 31.690 31.700 -0.116 0.000 0.838 491 P HA -0.183 nan 4.420 nan 0.000 0.221 491 P C 1.254 178.544 177.300 -0.016 0.000 1.145 491 P CA 1.416 64.455 63.100 -0.102 0.000 0.795 491 P CB -0.290 31.334 31.700 -0.126 0.000 0.775 492 A N 0.476 123.274 122.820 -0.036 0.000 1.972 492 A HA -0.115 4.205 4.320 0.000 0.000 0.219 492 A C 2.140 179.716 177.584 -0.012 0.000 1.169 492 A CA 2.087 54.110 52.037 -0.024 0.000 0.635 492 A CB -1.413 17.561 19.000 -0.042 0.000 0.810 492 A HN 0.251 nan 8.150 nan 0.000 0.446 493 V N -4.610 115.292 119.914 -0.020 0.000 3.647 493 V HA 0.336 4.456 4.120 0.000 0.000 0.279 493 V C 0.725 176.829 176.094 0.016 0.000 1.314 493 V CA -0.625 61.657 62.300 -0.030 0.000 1.125 493 V CB -1.260 30.514 31.823 -0.080 0.000 0.907 493 V HN 0.271 nan 8.190 nan 0.000 0.434 494 F N 2.909 122.785 119.950 -0.123 0.000 2.590 494 F HA 0.462 4.989 4.527 0.000 0.000 0.389 494 F C 1.316 177.053 175.800 -0.106 0.000 1.049 494 F CA 0.132 58.056 58.000 -0.127 0.000 1.199 494 F CB 0.011 38.941 39.000 -0.117 0.000 1.058 494 F HN 0.539 nan 8.300 nan 0.000 0.556 495 A N 3.843 126.369 122.820 -0.489 0.000 2.979 495 A HA -0.257 4.063 4.320 0.000 0.000 0.260 495 A C 0.852 178.290 177.584 -0.244 0.000 1.282 495 A CA 0.921 52.673 52.037 -0.476 0.000 0.971 495 A CB -1.880 16.723 19.000 -0.662 0.000 1.124 495 A HN 0.645 nan 8.150 nan 0.000 0.826 496 R N -0.438 119.965 120.500 -0.162 0.000 2.500 496 R HA 0.509 4.849 4.340 0.000 0.000 0.277 496 R C 0.079 176.324 176.300 -0.091 0.000 1.026 496 R CA -0.379 55.658 56.100 -0.106 0.000 1.058 496 R CB 1.016 31.272 30.300 -0.073 0.000 1.078 496 R HN 0.260 nan 8.270 nan 0.000 0.509 497 V N 2.402 122.277 119.914 -0.066 0.000 2.508 497 V HA 0.102 4.222 4.120 0.000 0.000 0.281 497 V C 0.356 176.428 176.094 -0.036 0.000 1.041 497 V CA -0.106 62.168 62.300 -0.044 0.000 1.016 497 V CB 0.781 32.590 31.823 -0.023 0.000 0.984 497 V HN 0.745 nan 8.190 nan 0.000 0.478 498 C N 4.324 123.603 119.300 -0.035 0.000 2.707 498 C HA 0.603 5.063 4.460 0.000 0.000 0.313 498 C C 0.174 175.159 174.990 -0.008 0.000 1.209 498 C CA -0.868 58.130 59.018 -0.033 0.000 1.635 498 C CB 1.836 29.540 27.740 -0.060 0.000 2.206 498 C HN 0.632 nan 8.230 nan 0.000 0.485 499 V N 2.813 122.724 119.914 -0.005 0.000 2.530 499 V HA 0.212 4.332 4.120 0.000 0.000 0.282 499 V C 0.068 176.137 176.094 -0.041 0.000 1.048 499 V CA -0.035 62.273 62.300 0.013 0.000 0.997 499 V CB 1.362 33.205 31.823 0.033 0.000 0.987 499 V HN 0.665 nan 8.190 nan 0.000 0.477 500 V N 6.750 126.655 119.914 -0.015 0.000 2.270 500 V HA 0.263 4.383 4.120 0.000 0.000 0.263 500 V C 0.491 176.501 176.094 -0.140 0.000 1.066 500 V CA -0.596 61.683 62.300 -0.034 0.000 0.857 500 V CB 0.104 31.973 31.823 0.076 0.000 1.099 500 V HN 0.832 nan 8.190 nan 0.000 0.476 501 K N 2.463 122.666 120.400 -0.329 0.000 2.127 501 K HA 0.594 4.914 4.320 0.000 0.000 0.240 501 K C 1.511 177.973 176.600 -0.230 0.000 1.024 501 K CA -0.006 55.913 56.287 -0.612 0.000 0.918 501 K CB 0.884 32.948 32.500 -0.727 0.000 1.108 501 K HN 0.480 nan 8.250 nan 0.000 0.485 502 A N 0.863 123.593 122.820 -0.149 0.000 1.940 502 A HA -0.165 4.155 4.320 0.000 0.000 0.219 502 A C 0.886 178.453 177.584 -0.028 0.000 1.176 502 A CA 1.799 53.823 52.037 -0.021 0.000 0.631 502 A CB -0.154 18.866 19.000 0.032 0.000 0.814 502 A HN 0.708 nan 8.150 nan 0.000 0.446 503 D N -1.117 119.245 120.400 -0.064 0.000 2.500 503 D HA 0.158 4.798 4.640 0.000 0.000 0.217 503 D C -0.062 176.200 176.300 -0.064 0.000 1.159 503 D CA 0.433 54.407 54.000 -0.043 0.000 0.828 503 D CB 0.437 41.217 40.800 -0.033 0.000 1.039 503 D HN 0.860 nan 8.370 nan 0.000 0.512 504 E N -0.326 119.815 120.200 -0.099 0.000 2.401 504 E HA 0.405 4.755 4.350 0.000 0.000 0.280 504 E C -1.353 175.172 176.600 -0.125 0.000 1.039 504 E CA -0.808 55.528 56.400 -0.107 0.000 0.814 504 E CB 1.131 30.768 29.700 -0.106 0.000 1.275 504 E HN -0.170 nan 8.360 nan 0.000 0.448 505 L N 1.425 122.577 121.223 -0.118 0.000 2.289 505 L HA 0.531 4.871 4.340 0.000 0.000 0.285 505 L C -0.754 176.056 176.870 -0.100 0.000 1.049 505 L CA -1.265 53.508 54.840 -0.112 0.000 0.804 505 L CB 1.652 43.637 42.059 -0.122 0.000 1.195 505 L HN 0.391 nan 8.230 nan 0.000 0.428 506 V N 4.685 124.545 119.914 -0.090 0.000 2.334 506 V HA 0.320 4.440 4.120 0.000 0.000 0.281 506 V C -2.034 174.033 176.094 -0.045 0.000 1.016 506 V CA -1.714 60.547 62.300 -0.065 0.000 0.832 506 V CB 1.427 33.214 31.823 -0.060 0.000 0.999 506 V HN 0.591 nan 8.190 nan 0.000 0.439 507 P HA 0.243 nan 4.420 nan 0.000 0.271 507 P C -0.920 176.368 177.300 -0.021 0.000 1.216 507 P CA -0.293 62.786 63.100 -0.036 0.000 0.771 507 P CB 1.285 32.963 31.700 -0.038 0.000 0.864 508 L N 5.586 126.799 121.223 -0.017 0.000 2.375 508 L HA 0.509 4.849 4.340 0.000 0.000 0.268 508 L C -1.802 175.060 176.870 -0.014 0.000 1.058 508 L CA -2.094 52.742 54.840 -0.007 0.000 0.803 508 L CB -0.242 41.818 42.059 0.002 0.000 1.212 508 L HN 0.319 nan 8.230 nan 0.000 0.451 509 P HA 0.066 nan 4.420 nan 0.000 0.269 509 P C 0.579 177.867 177.300 -0.020 0.000 1.209 509 P CA -0.132 62.959 63.100 -0.016 0.000 0.776 509 P CB 0.539 32.231 31.700 -0.014 0.000 0.876 510 G N 2.034 110.819 108.800 -0.025 0.000 2.598 510 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 510 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 510 G C 0.761 175.646 174.900 -0.025 0.000 1.131 510 G CA 0.505 45.586 45.100 -0.031 0.000 0.785 510 G HN 0.579 nan 8.290 nan 0.000 0.539 511 D N -0.011 120.377 120.400 -0.020 0.000 2.249 511 D HA -0.011 4.629 4.640 0.000 0.000 0.205 511 D C 1.167 177.463 176.300 -0.005 0.000 0.962 511 D CA 0.022 54.014 54.000 -0.013 0.000 0.860 511 D CB -0.257 40.530 40.800 -0.022 0.000 0.955 511 D HN 0.238 nan 8.370 nan 0.000 0.505 512 L N 1.056 122.275 121.223 -0.007 0.000 2.361 512 L HA 0.423 4.763 4.340 0.000 0.000 0.278 512 L C 0.327 177.201 176.870 0.006 0.000 1.113 512 L CA -0.855 53.987 54.840 0.003 0.000 0.849 512 L CB 0.790 42.852 42.059 0.005 0.000 1.155 512 L HN 0.066 nan 8.230 nan 0.000 0.452 513 A N 3.739 126.568 122.820 0.015 0.000 2.309 513 A HA 0.292 4.612 4.320 0.000 0.000 0.298 513 A C 0.848 178.446 177.584 0.022 0.000 1.165 513 A CA -0.554 51.492 52.037 0.015 0.000 0.821 513 A CB 0.887 19.899 19.000 0.020 0.000 1.102 513 A HN 0.929 nan 8.150 nan 0.000 0.500 514 L N 1.327 122.562 121.223 0.020 0.000 2.043 514 L HA -0.155 4.185 4.340 0.000 0.000 0.212 514 L C 2.020 178.916 176.870 0.043 0.000 1.075 514 L CA 1.895 56.754 54.840 0.032 0.000 0.752 514 L CB -0.108 41.968 42.059 0.027 0.000 0.891 514 L HN 0.809 nan 8.230 nan 0.000 0.432 515 E N -0.084 120.139 120.200 0.038 0.000 2.208 515 E HA -0.187 4.163 4.350 0.000 0.000 0.193 515 E C 2.094 178.719 176.600 0.041 0.000 0.988 515 E CA 0.793 57.218 56.400 0.042 0.000 0.828 515 E CB 0.058 29.779 29.700 0.035 0.000 0.763 515 E HN 0.386 nan 8.360 nan 0.000 0.478 516 K N 0.278 120.701 120.400 0.039 0.000 2.116 516 K HA 0.000 4.320 4.320 0.000 0.000 0.203 516 K C 2.138 178.763 176.600 0.043 0.000 1.052 516 K CA 0.278 56.589 56.287 0.039 0.000 0.952 516 K CB -0.516 32.008 32.500 0.040 0.000 0.729 516 K HN -0.067 nan 8.250 nan 0.000 0.446 517 V N 0.996 120.937 119.914 0.046 0.000 2.307 517 V HA -0.204 3.916 4.120 0.000 0.000 0.245 517 V C 2.457 178.590 176.094 0.065 0.000 1.045 517 V CA 1.861 64.192 62.300 0.053 0.000 1.024 517 V CB -0.422 31.435 31.823 0.055 0.000 0.651 517 V HN 0.309 nan 8.190 nan 0.000 0.449 518 R N 0.441 120.984 120.500 0.072 0.000 2.083 518 R HA -0.211 4.129 4.340 0.000 0.000 0.237 518 R C 2.285 178.622 176.300 0.061 0.000 1.137 518 R CA 1.948 58.099 56.100 0.084 0.000 0.951 518 R CB -0.499 29.853 30.300 0.087 0.000 0.851 518 R HN 0.474 nan 8.270 nan 0.000 0.434 519 A N 0.958 123.807 122.820 0.048 0.000 1.902 519 A HA -0.128 4.192 4.320 0.000 0.000 0.217 519 A C 2.199 179.801 177.584 0.030 0.000 1.181 519 A CA 1.430 53.489 52.037 0.035 0.000 0.623 519 A CB -0.458 18.562 19.000 0.032 0.000 0.818 519 A HN 0.395 nan 8.150 nan 0.000 0.443 520 I N -1.146 119.444 120.570 0.034 0.000 2.252 520 I HA -0.227 3.943 4.170 0.000 0.000 0.245 520 I C 2.708 178.842 176.117 0.029 0.000 1.102 520 I CA 1.459 62.777 61.300 0.029 0.000 1.385 520 I CB -0.281 37.738 38.000 0.031 0.000 1.064 520 I HN 0.381 nan 8.210 nan 0.000 0.414 521 R N 1.218 121.742 120.500 0.040 0.000 2.080 521 R HA -0.180 4.160 4.340 0.000 0.000 0.236 521 R C 2.468 178.777 176.300 0.014 0.000 1.137 521 R CA 1.664 57.790 56.100 0.042 0.000 0.943 521 R CB -0.118 30.228 30.300 0.076 0.000 0.846 521 R HN 0.273 nan 8.270 nan 0.000 0.431 522 R N -0.032 120.471 120.500 0.004 0.000 2.092 522 R HA -0.067 4.273 4.340 0.000 0.000 0.231 522 R C 2.527 178.824 176.300 -0.004 0.000 1.119 522 R CA 1.668 57.755 56.100 -0.021 0.000 0.970 522 R CB -0.192 30.096 30.300 -0.020 0.000 0.864 522 R HN 0.375 nan 8.270 nan 0.000 0.440 523 S N 0.697 116.400 115.700 0.006 0.000 2.387 523 S HA -0.011 4.459 4.470 0.000 0.000 0.226 523 S C 2.264 176.866 174.600 0.004 0.000 1.026 523 S CA 0.718 58.922 58.200 0.007 0.000 0.972 523 S CB -0.058 63.147 63.200 0.008 0.000 0.814 523 S HN 0.325 nan 8.310 nan 0.000 0.477 524 A N 2.478 125.300 122.820 0.003 0.000 1.908 524 A HA -0.091 4.229 4.320 0.000 0.000 0.218 524 A C 2.266 179.846 177.584 -0.007 0.000 1.181 524 A CA 1.711 53.743 52.037 -0.008 0.000 0.627 524 A CB -0.651 18.347 19.000 -0.003 0.000 0.818 524 A HN 0.601 nan 8.150 nan 0.000 0.445 525 K N -0.798 119.620 120.400 0.031 0.000 2.057 525 K HA -0.166 4.154 4.320 0.000 0.000 0.207 525 K C 2.127 178.792 176.600 0.108 0.000 1.049 525 K CA 1.555 57.908 56.287 0.110 0.000 0.931 525 K CB -0.104 32.453 32.500 0.094 0.000 0.714 525 K HN 0.683 nan 8.250 nan 0.000 0.440 526 E N 1.017 121.247 120.200 0.051 0.000 2.072 526 E HA -0.146 4.204 4.350 0.000 0.000 0.191 526 E C 1.912 178.528 176.600 0.028 0.000 0.985 526 E CA 1.030 57.458 56.400 0.047 0.000 0.801 526 E CB 0.200 29.915 29.700 0.025 0.000 0.750 526 E HN 0.147 nan 8.360 nan 0.000 0.452 527 R N -0.410 120.090 120.500 -0.001 0.000 2.115 527 R HA -0.062 4.278 4.340 0.000 0.000 0.230 527 R C 2.163 178.429 176.300 -0.056 0.000 1.111 527 R CA 1.086 57.174 56.100 -0.021 0.000 0.976 527 R CB 0.124 30.408 30.300 -0.027 0.000 0.870 527 R HN 0.125 nan 8.270 nan 0.000 0.445 528 V N -0.592 119.255 119.914 -0.112 0.000 2.391 528 V HA -0.082 4.038 4.120 0.000 0.000 0.237 528 V C 1.620 177.591 176.094 -0.206 0.000 1.046 528 V CA 1.395 63.545 62.300 -0.249 0.000 1.053 528 V CB -0.356 31.159 31.823 -0.514 0.000 0.704 528 V HN 0.082 nan 8.190 nan 0.000 0.475 529 F N -0.119 119.826 119.950 -0.008 0.000 2.335 529 F HA 0.023 4.550 4.527 0.000 0.000 0.296 529 F C 2.209 178.007 175.800 -0.004 0.000 1.091 529 F CA 0.716 58.711 58.000 -0.009 0.000 1.399 529 F CB -0.693 38.297 39.000 -0.018 0.000 1.067 529 F HN -0.113 nan 8.300 nan 0.000 0.520 530 V N -0.657 119.360 119.914 0.171 0.000 2.358 530 V HA -0.249 3.871 4.120 0.000 0.000 0.246 530 V C 2.253 178.396 176.094 0.081 0.000 1.047 530 V CA 2.335 64.700 62.300 0.108 0.000 1.035 530 V CB -0.984 30.887 31.823 0.080 0.000 0.658 530 V HN 0.329 nan 8.190 nan 0.000 0.452 531 T N 0.333 114.920 114.554 0.055 0.000 2.708 531 T HA -0.180 4.170 4.350 0.000 0.000 0.266 531 T C 1.852 176.574 174.700 0.037 0.000 1.037 531 T CA 1.738 63.859 62.100 0.035 0.000 1.146 531 T CB -0.368 68.504 68.868 0.008 0.000 0.865 531 T HN 0.356 nan 8.240 nan 0.000 0.435 532 N N 1.051 119.774 118.700 0.039 0.000 2.270 532 N HA 0.093 4.833 4.740 0.000 0.000 0.181 532 N C 2.021 177.568 175.510 0.063 0.000 1.016 532 N CA 1.019 54.096 53.050 0.045 0.000 0.870 532 N CB -0.510 38.004 38.487 0.045 0.000 0.979 532 N HN 0.417 nan 8.380 nan 0.000 0.431 533 A N 0.965 123.837 122.820 0.086 0.000 1.883 533 A HA -0.091 4.229 4.320 0.000 0.000 0.217 533 A C 2.301 179.899 177.584 0.024 0.000 1.186 533 A CA 1.032 53.106 52.037 0.060 0.000 0.624 533 A CB -0.728 18.312 19.000 0.066 0.000 0.822 533 A HN 0.241 nan 8.150 nan 0.000 0.444 534 L N -1.330 119.914 121.223 0.035 0.000 2.056 534 L HA -0.156 4.184 4.340 0.000 0.000 0.207 534 L C 2.857 179.733 176.870 0.011 0.000 1.078 534 L CA 1.389 56.244 54.840 0.024 0.000 0.749 534 L CB -0.509 41.587 42.059 0.062 0.000 0.901 534 L HN 0.326 nan 8.230 nan 0.000 0.433 535 R N 0.047 120.558 120.500 0.019 0.000 2.091 535 R HA -0.155 4.185 4.340 0.000 0.000 0.238 535 R C 2.430 178.731 176.300 0.001 0.000 1.136 535 R CA 1.453 57.560 56.100 0.012 0.000 0.959 535 R CB -0.495 29.814 30.300 0.015 0.000 0.856 535 R HN 0.376 nan 8.270 nan 0.000 0.437 536 A N 1.020 123.841 122.820 0.002 0.000 1.872 536 A HA -0.077 4.243 4.320 0.000 0.000 0.214 536 A C 2.167 179.735 177.584 -0.027 0.000 1.187 536 A CA 0.966 52.997 52.037 -0.009 0.000 0.614 536 A CB -0.461 18.539 19.000 0.002 0.000 0.826 536 A HN 0.158 nan 8.150 nan 0.000 0.442 537 L N -1.025 120.175 121.223 -0.039 0.000 2.093 537 L HA -0.150 4.190 4.340 0.000 0.000 0.208 537 L C 2.781 179.610 176.870 -0.067 0.000 1.085 537 L CA 1.216 56.016 54.840 -0.067 0.000 0.755 537 L CB -0.419 41.574 42.059 -0.110 0.000 0.904 537 L HN 0.341 nan 8.230 nan 0.000 0.435 538 R N -0.568 119.901 120.500 -0.053 0.000 2.148 538 R HA -0.121 4.219 4.340 0.000 0.000 0.227 538 R C 2.259 178.544 176.300 -0.025 0.000 1.103 538 R CA 0.821 56.898 56.100 -0.038 0.000 0.983 538 R CB -0.123 30.166 30.300 -0.018 0.000 0.874 538 R HN 0.484 nan 8.270 nan 0.000 0.451 539 Q N 0.072 119.859 119.800 -0.022 0.000 2.123 539 Q HA -0.078 4.262 4.340 0.000 0.000 0.199 539 Q C 2.038 178.024 176.000 -0.022 0.000 0.966 539 Q CA 1.658 57.451 55.803 -0.017 0.000 0.845 539 Q CB 0.343 29.072 28.738 -0.015 0.000 0.907 539 Q HN 0.335 nan 8.270 nan 0.000 0.439 540 V N -2.920 116.976 119.914 -0.031 0.000 3.650 540 V HA 0.160 4.280 4.120 0.000 0.000 0.271 540 V C 0.914 176.991 176.094 -0.028 0.000 1.281 540 V CA -0.178 62.103 62.300 -0.031 0.000 1.120 540 V CB 0.590 32.390 31.823 -0.037 0.000 0.856 540 V HN 0.015 nan 8.190 nan 0.000 0.443 541 S N 2.719 118.398 115.700 -0.034 0.000 2.549 541 S HA 0.212 4.682 4.470 0.000 0.000 0.286 541 S C -0.429 174.159 174.600 -0.021 0.000 1.314 541 S CA -0.294 57.885 58.200 -0.035 0.000 1.062 541 S CB 0.983 64.154 63.200 -0.048 0.000 0.865 541 S HN 0.486 nan 8.310 nan 0.000 0.498 542 P HA -0.059 nan 4.420 nan 0.000 0.222 542 P C 1.071 178.367 177.300 -0.006 0.000 1.147 542 P CA 1.349 64.444 63.100 -0.008 0.000 0.790 542 P CB -0.303 31.395 31.700 -0.004 0.000 0.780 543 T N -6.369 108.180 114.554 -0.008 0.000 3.023 543 T HA 0.411 4.761 4.350 0.000 0.000 0.253 543 T C 1.511 176.209 174.700 -0.003 0.000 1.038 543 T CA 0.602 62.700 62.100 -0.003 0.000 0.962 543 T CB -0.472 68.397 68.868 0.001 0.000 1.018 543 T HN 0.205 nan 8.240 nan 0.000 0.521 544 G N 1.457 110.251 108.800 -0.010 0.000 2.179 544 G HA2 -0.239 3.721 3.960 0.000 0.000 0.260 544 G HA3 -0.239 3.721 3.960 0.000 0.000 0.260 544 G C -0.227 174.667 174.900 -0.010 0.000 0.977 544 G CA 0.008 45.102 45.100 -0.010 0.000 0.641 544 G HN 0.696 nan 8.290 nan 0.000 0.533 545 N N -0.570 118.121 118.700 -0.015 0.000 2.342 545 N HA 0.597 5.337 4.740 0.000 0.000 0.293 545 N C 1.401 176.869 175.510 -0.071 0.000 1.026 545 N CA -0.901 52.142 53.050 -0.013 0.000 0.857 545 N CB 1.617 40.115 38.487 0.019 0.000 1.256 545 N HN 0.005 nan 8.380 nan 0.000 0.484 546 I N 1.613 122.092 120.570 -0.151 0.000 2.361 546 I HA -0.261 3.909 4.170 0.000 0.000 0.251 546 I C 2.565 178.475 176.117 -0.346 0.000 1.133 546 I CA 1.100 62.172 61.300 -0.381 0.000 1.413 546 I CB -0.244 37.252 38.000 -0.839 0.000 1.073 546 I HN 0.596 nan 8.210 nan 0.000 0.424 547 R N 0.589 121.021 120.500 -0.112 0.000 2.303 547 R HA -0.151 4.189 4.340 0.000 0.000 0.225 547 R C 0.387 176.683 176.300 -0.006 0.000 1.114 547 R CA 1.375 57.508 56.100 0.055 0.000 1.007 547 R CB -0.507 29.891 30.300 0.164 0.000 0.861 547 R HN 0.337 nan 8.270 nan 0.000 0.471 548 D N 0.866 121.242 120.400 -0.040 0.000 2.368 548 D HA 0.226 4.867 4.640 0.000 0.000 0.218 548 D C -0.039 176.240 176.300 -0.035 0.000 1.112 548 D CA 0.108 54.093 54.000 -0.024 0.000 0.834 548 D CB 0.376 41.169 40.800 -0.013 0.000 0.953 548 D HN 0.278 nan 8.370 nan 0.000 0.505 549 I N 2.380 122.907 120.570 -0.071 0.000 2.355 549 I HA 0.152 4.322 4.170 0.000 0.000 0.288 549 I C -1.447 174.637 176.117 -0.055 0.000 0.999 549 I CA -1.878 59.390 61.300 -0.053 0.000 1.163 549 I CB 2.514 40.463 38.000 -0.085 0.000 1.316 549 I HN -0.299 nan 8.210 nan 0.000 0.454 550 P HA 0.038 nan 4.420 nan 0.000 0.221 550 P C -0.023 177.123 177.300 -0.257 0.000 1.155 550 P CA 1.054 64.108 63.100 -0.077 0.000 0.812 550 P CB 0.390 32.143 31.700 0.087 0.000 0.801 551 F N -0.654 119.276 119.950 -0.033 0.000 2.547 551 F HA 0.394 4.921 4.527 0.000 0.000 0.316 551 F C -0.344 175.433 175.800 -0.038 0.000 1.121 551 F CA -1.035 56.948 58.000 -0.029 0.000 0.911 551 F CB 2.370 41.358 39.000 -0.020 0.000 1.179 551 F HN -0.431 nan 8.300 nan 0.000 0.443 552 V N 3.938 123.923 119.914 0.119 0.000 2.638 552 V HA 0.588 4.708 4.120 0.000 0.000 0.306 552 V C -0.931 175.200 176.094 0.061 0.000 1.052 552 V CA -0.851 61.482 62.300 0.056 0.000 0.885 552 V CB 2.046 33.864 31.823 -0.009 0.000 0.999 552 V HN 0.481 nan 8.190 nan 0.000 0.424 553 V N 5.741 125.681 119.914 0.044 0.000 2.448 553 V HA 0.482 4.602 4.120 0.000 0.000 0.295 553 V C -0.221 175.874 176.094 0.002 0.000 1.025 553 V CA -0.583 61.734 62.300 0.029 0.000 0.859 553 V CB 1.845 33.685 31.823 0.029 0.000 0.988 553 V HN 0.652 nan 8.190 nan 0.000 0.431 554 L N 6.276 127.492 121.223 -0.011 0.000 2.260 554 L HA 0.647 4.987 4.340 0.000 0.000 0.289 554 L C 0.053 176.902 176.870 -0.034 0.000 1.057 554 L CA -0.342 54.478 54.840 -0.035 0.000 0.811 554 L CB 1.204 43.228 42.059 -0.059 0.000 1.184 554 L HN 0.638 nan 8.230 nan 0.000 0.429 555 V N 0.275 120.170 119.914 -0.031 0.000 3.182 555 V HA 1.078 5.198 4.120 0.000 0.000 0.311 555 V C 0.227 176.303 176.094 -0.030 0.000 1.221 555 V CA -0.168 62.118 62.300 -0.023 0.000 1.060 555 V CB 1.360 33.179 31.823 -0.006 0.000 1.164 555 V HN 0.945 nan 8.190 nan 0.000 0.466 556 G N -0.720 108.071 108.800 -0.015 0.000 2.699 556 G HA2 0.266 4.226 3.960 0.000 0.000 0.686 556 G HA3 0.266 4.226 3.960 0.000 0.000 0.686 556 G C 0.545 175.431 174.900 -0.023 0.000 1.301 556 G CA -0.139 44.955 45.100 -0.010 0.000 0.816 556 G HN 1.966 nan 8.290 nan 0.000 0.595 557 G N -0.525 108.271 108.800 -0.006 0.000 2.422 557 G HA2 0.085 4.045 3.960 0.000 0.000 0.218 557 G HA3 0.085 4.045 3.960 0.000 0.000 0.218 557 G C 2.007 176.884 174.900 -0.038 0.000 1.140 557 G CA 1.980 47.076 45.100 -0.008 0.000 0.775 557 G HN 1.348 nan 8.290 nan 0.000 0.545 558 S N 0.682 116.343 115.700 -0.066 0.000 2.474 558 S HA -0.021 4.449 4.470 0.000 0.000 0.235 558 S C 2.447 176.889 174.600 -0.263 0.000 0.997 558 S CA 0.890 58.990 58.200 -0.167 0.000 0.949 558 S CB -0.025 63.020 63.200 -0.259 0.000 0.766 558 S HN 0.320 nan 8.310 nan 0.000 0.517 559 S N 1.362 116.945 115.700 -0.194 0.000 2.561 559 S HA 0.222 4.692 4.470 0.000 0.000 0.225 559 S C 1.453 175.994 174.600 -0.099 0.000 0.977 559 S CA 0.191 58.291 58.200 -0.167 0.000 0.926 559 S CB -0.153 62.976 63.200 -0.118 0.000 0.769 559 S HN 0.419 nan 8.310 nan 0.000 0.533 560 L N 1.117 122.296 121.223 -0.073 0.000 2.376 560 L HA 0.010 4.350 4.340 0.000 0.000 0.219 560 L C 0.807 177.663 176.870 -0.024 0.000 1.133 560 L CA 0.297 55.116 54.840 -0.035 0.000 0.816 560 L CB -0.390 41.656 42.059 -0.021 0.000 0.933 560 L HN 0.237 nan 8.230 nan 0.000 0.449 561 D N -0.154 120.210 120.400 -0.060 0.000 2.472 561 D HA -0.146 4.494 4.640 0.000 0.000 0.237 561 D C 1.239 177.546 176.300 0.011 0.000 1.141 561 D CA 0.018 53.999 54.000 -0.032 0.000 0.875 561 D CB 0.566 41.293 40.800 -0.122 0.000 1.192 561 D HN 0.205 nan 8.370 nan 0.000 0.450 562 F N 1.169 121.069 119.950 -0.083 0.000 2.604 562 F HA 0.138 4.665 4.527 0.000 0.000 0.298 562 F C 1.266 177.047 175.800 -0.031 0.000 1.131 562 F CA 0.390 58.361 58.000 -0.048 0.000 1.457 562 F CB -0.028 38.951 39.000 -0.034 0.000 1.095 562 F HN 0.362 nan 8.300 nan 0.000 0.574 563 E N 0.284 120.138 120.200 -0.576 0.000 2.391 563 E HA 0.049 4.399 4.350 0.000 0.000 0.206 563 E C 2.221 178.673 176.600 -0.247 0.000 0.851 563 E CA 0.356 56.465 56.400 -0.485 0.000 1.059 563 E CB 0.162 29.433 29.700 -0.715 0.000 1.065 563 E HN 0.242 nan 8.360 nan 0.000 0.512 564 V N 2.907 122.685 119.914 -0.226 0.000 2.287 564 V HA -0.187 3.933 4.120 0.000 0.000 0.248 564 V C -0.811 175.199 176.094 -0.140 0.000 1.053 564 V CA 2.146 64.337 62.300 -0.181 0.000 1.027 564 V CB -1.328 30.304 31.823 -0.318 0.000 0.646 564 V HN 0.213 nan 8.190 nan 0.000 0.447 565 P HA -0.215 nan 4.420 nan 0.000 0.217 565 P C 1.713 178.982 177.300 -0.051 0.000 1.150 565 P CA 1.513 64.563 63.100 -0.084 0.000 0.832 565 P CB -0.168 31.492 31.700 -0.067 0.000 0.787 566 Q N 0.341 120.110 119.800 -0.052 0.000 2.061 566 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 566 Q C 2.279 178.266 176.000 -0.022 0.000 0.984 566 Q CA 1.509 57.294 55.803 -0.031 0.000 0.846 566 Q CB -0.793 27.924 28.738 -0.035 0.000 0.902 566 Q HN 0.252 nan 8.270 nan 0.000 0.421 567 L N 0.023 121.226 121.223 -0.035 0.000 2.046 567 L HA -0.191 4.149 4.340 0.000 0.000 0.208 567 L C 2.622 179.501 176.870 0.015 0.000 1.077 567 L CA 1.012 55.847 54.840 -0.009 0.000 0.747 567 L CB -0.479 41.574 42.059 -0.011 0.000 0.896 567 L HN 0.058 nan 8.230 nan 0.000 0.432 568 V N -0.926 118.991 119.914 0.006 0.000 2.307 568 V HA -0.252 3.868 4.120 0.000 0.000 0.245 568 V C 2.536 178.647 176.094 0.028 0.000 1.045 568 V CA 2.241 64.554 62.300 0.022 0.000 1.024 568 V CB -0.647 31.174 31.823 -0.003 0.000 0.651 568 V HN 0.441 nan 8.190 nan 0.000 0.449 569 T N -0.284 114.276 114.554 0.011 0.000 2.759 569 T HA -0.205 4.145 4.350 0.000 0.000 0.269 569 T C 1.623 176.346 174.700 0.038 0.000 1.042 569 T CA 1.784 63.894 62.100 0.016 0.000 1.140 569 T CB -0.354 68.516 68.868 0.004 0.000 0.864 569 T HN 0.454 nan 8.240 nan 0.000 0.455 570 D N 0.934 121.357 120.400 0.039 0.000 2.183 570 D HA 0.099 4.739 4.640 0.000 0.000 0.203 570 D C 2.231 178.588 176.300 0.095 0.000 0.969 570 D CA 0.835 54.867 54.000 0.053 0.000 0.842 570 D CB -0.356 40.464 40.800 0.034 0.000 0.957 570 D HN 0.392 nan 8.370 nan 0.000 0.484 571 A N 0.130 123.011 122.820 0.102 0.000 2.067 571 A HA -0.040 4.280 4.320 0.000 0.000 0.219 571 A C 1.990 179.725 177.584 0.250 0.000 1.158 571 A CA 0.734 52.867 52.037 0.159 0.000 0.661 571 A CB -0.350 18.727 19.000 0.129 0.000 0.801 571 A HN 0.241 nan 8.150 nan 0.000 0.452 572 L N -1.440 119.887 121.223 0.173 0.000 2.640 572 L HA 0.193 4.533 4.340 0.000 0.000 0.230 572 L C 2.447 179.368 176.870 0.086 0.000 1.123 572 L CA 0.399 55.350 54.840 0.185 0.000 0.900 572 L CB -0.051 42.067 42.059 0.098 0.000 1.146 572 L HN 0.345 nan 8.230 nan 0.000 0.484 573 A N 0.620 123.505 122.820 0.109 0.000 2.019 573 A HA -0.230 4.090 4.320 0.000 0.000 0.219 573 A C 1.950 179.555 177.584 0.036 0.000 1.164 573 A CA 1.874 53.953 52.037 0.069 0.000 0.644 573 A CB -0.800 18.249 19.000 0.080 0.000 0.805 573 A HN 0.723 nan 8.150 nan 0.000 0.449 574 H N -4.202 114.809 119.070 -0.099 0.000 2.548 574 H HA 0.249 4.805 4.556 0.000 0.000 0.268 574 H C -0.036 175.150 175.328 -0.237 0.000 0.975 574 H CA 0.072 56.005 56.048 -0.191 0.000 1.195 574 H CB -0.425 29.172 29.762 -0.275 0.000 1.397 574 H HN 0.475 nan 8.280 nan 0.000 0.572 575 Y N 1.211 121.287 120.300 -0.373 0.000 2.301 575 Y HA 0.216 4.766 4.550 -0.000 0.000 0.328 575 Y C 0.964 176.777 175.900 -0.145 0.000 1.242 575 Y CA -1.152 56.800 58.100 -0.248 0.000 1.323 575 Y CB 0.636 38.927 38.460 -0.282 0.000 1.266 575 Y HN 0.052 nan 8.280 nan 0.000 0.527 576 R N 3.579 124.112 120.500 0.054 0.000 3.701 576 R HA 0.333 4.673 4.340 0.000 0.000 0.210 576 R C -2.022 174.236 176.300 -0.070 0.000 1.598 576 R CA -0.091 55.998 56.100 -0.018 0.000 1.427 576 R CB -1.728 28.559 30.300 -0.023 0.000 1.339 576 R HN 0.696 nan 8.270 nan 0.000 0.720 577 L N 1.225 122.395 121.223 -0.088 0.000 2.388 577 L HA 0.590 4.930 4.340 0.000 0.000 0.264 577 L C -0.412 176.331 176.870 -0.211 0.000 0.998 577 L CA -1.708 53.024 54.840 -0.180 0.000 0.817 577 L CB 2.163 44.139 42.059 -0.138 0.000 1.338 577 L HN -0.205 nan 8.230 nan 0.000 0.414 578 V N 1.676 121.369 119.914 -0.368 0.000 2.455 578 V HA 0.640 4.760 4.120 0.000 0.000 0.273 578 V C 0.458 176.490 176.094 -0.104 0.000 1.045 578 V CA -0.054 62.093 62.300 -0.256 0.000 0.976 578 V CB 0.831 32.424 31.823 -0.383 0.000 0.993 578 V HN 0.877 nan 8.190 nan 0.000 0.475 579 A N 3.992 126.784 122.820 -0.046 0.000 2.393 579 A HA 1.011 5.331 4.320 0.000 0.000 0.306 579 A C -0.002 177.583 177.584 0.001 0.000 1.050 579 A CA 0.046 52.074 52.037 -0.014 0.000 0.724 579 A CB 2.001 20.988 19.000 -0.022 0.000 1.248 579 A HN 1.370 nan 8.150 nan 0.000 0.424 580 G N 0.445 109.251 108.800 0.009 0.000 2.368 580 G HA2 0.474 4.434 3.960 0.000 0.000 0.293 580 G HA3 0.474 4.434 3.960 0.000 0.000 0.293 580 G C -1.048 173.854 174.900 0.003 0.000 1.467 580 G CA -0.999 44.105 45.100 0.007 0.000 0.804 580 G HN 0.824 nan 8.290 nan 0.000 0.535 581 R N -0.195 120.302 120.500 -0.005 0.000 2.623 581 R HA 0.408 4.748 4.340 0.000 0.000 0.271 581 R C 1.195 177.495 176.300 0.001 0.000 1.043 581 R CA 0.663 56.755 56.100 -0.012 0.000 1.083 581 R CB 0.194 30.485 30.300 -0.013 0.000 0.974 581 R HN 0.807 nan 8.270 nan 0.000 0.436 582 G N 1.738 110.536 108.800 -0.002 0.000 2.614 582 G HA2 -0.074 3.886 3.960 0.000 0.000 0.239 582 G HA3 -0.074 3.886 3.960 0.000 0.000 0.239 582 G C -0.277 174.626 174.900 0.004 0.000 1.240 582 G CA -0.256 44.846 45.100 0.004 0.000 0.842 582 G HN 0.638 nan 8.290 nan 0.000 0.584 583 N N 0.216 118.919 118.700 0.005 0.000 2.790 583 N HA 0.190 4.930 4.740 0.000 0.000 0.256 583 N C -0.488 175.023 175.510 0.001 0.000 1.409 583 N CA -0.632 52.420 53.050 0.004 0.000 0.799 583 N CB 0.234 38.724 38.487 0.006 0.000 1.170 583 N HN 0.217 nan 8.380 nan 0.000 0.507 584 I N 2.017 122.587 120.570 0.001 0.000 2.752 584 I HA -0.011 4.159 4.170 0.000 0.000 0.289 584 I C 1.446 177.561 176.117 -0.003 0.000 1.197 584 I CA 0.755 62.055 61.300 0.000 0.000 1.432 584 I CB 0.264 38.266 38.000 0.004 0.000 1.359 584 I HN 0.523 nan 8.210 nan 0.000 0.571 585 R N 4.002 124.499 120.500 -0.005 0.000 4.000 585 R HA -0.258 4.082 4.340 0.000 0.000 0.348 585 R C 1.191 177.485 176.300 -0.010 0.000 1.204 585 R CA 0.798 56.893 56.100 -0.009 0.000 0.987 585 R CB -2.005 28.289 30.300 -0.010 0.000 1.446 585 R HN 1.190 nan 8.270 nan 0.000 0.555 586 G N -1.276 107.520 108.800 -0.007 0.000 2.143 586 G HA2 -0.349 3.611 3.960 0.000 0.000 0.249 586 G HA3 -0.349 3.611 3.960 0.000 0.000 0.249 586 G C 0.441 175.338 174.900 -0.006 0.000 0.981 586 G CA 0.926 46.023 45.100 -0.006 0.000 0.665 586 G HN 0.954 nan 8.290 nan 0.000 0.528 587 S N -2.416 113.280 115.700 -0.007 0.000 2.483 587 S HA 0.241 4.711 4.470 0.000 0.000 0.280 587 S C 0.962 175.560 174.600 -0.004 0.000 1.059 587 S CA 0.678 58.873 58.200 -0.008 0.000 1.359 587 S CB 0.251 63.440 63.200 -0.018 0.000 1.171 587 S HN 0.110 nan 8.310 nan 0.000 0.625 588 E N 2.101 122.299 120.200 -0.002 0.000 2.474 588 E HA 0.375 4.725 4.350 0.000 0.000 0.195 588 E C 1.417 178.020 176.600 0.005 0.000 1.039 588 E CA 0.618 57.019 56.400 0.002 0.000 0.881 588 E CB 0.268 29.970 29.700 0.003 0.000 0.970 588 E HN 0.670 nan 8.360 nan 0.000 0.486 589 G N 2.669 111.471 108.800 0.004 0.000 2.575 589 G HA2 -0.275 3.685 3.960 0.000 0.000 0.267 589 G HA3 -0.275 3.685 3.960 0.000 0.000 0.267 589 G C -1.725 173.175 174.900 0.001 0.000 1.264 589 G CA 0.189 45.291 45.100 0.003 0.000 0.935 589 G HN 0.138 nan 8.290 nan 0.000 0.568 590 P HA 0.051 nan 4.420 nan 0.000 0.237 590 P C 0.754 178.052 177.300 -0.002 0.000 1.178 590 P CA 0.715 63.810 63.100 -0.008 0.000 0.766 590 P CB 0.108 31.795 31.700 -0.022 0.000 0.876 591 R N 0.629 121.131 120.500 0.003 0.000 2.577 591 R HA 0.163 4.503 4.340 0.000 0.000 0.269 591 R C 1.086 177.394 176.300 0.012 0.000 1.084 591 R CA -0.392 55.714 56.100 0.010 0.000 1.163 591 R CB -0.738 29.571 30.300 0.014 0.000 1.100 591 R HN 0.154 nan 8.270 nan 0.000 0.547 592 N N -0.712 117.998 118.700 0.016 0.000 2.850 592 N HA -0.229 4.511 4.740 0.000 0.000 0.249 592 N C 0.572 176.092 175.510 0.018 0.000 1.060 592 N CA 0.655 53.716 53.050 0.018 0.000 0.825 592 N CB -0.301 38.197 38.487 0.017 0.000 1.132 592 N HN 0.688 nan 8.380 nan 0.000 0.564 593 A N 0.118 122.948 122.820 0.017 0.000 1.877 593 A HA -0.041 4.279 4.320 0.000 0.000 0.216 593 A C 2.158 179.756 177.584 0.023 0.000 1.186 593 A CA 2.005 54.052 52.037 0.017 0.000 0.620 593 A CB -0.499 18.509 19.000 0.014 0.000 0.822 593 A HN 0.187 nan 8.150 nan 0.000 0.443 594 V N -0.188 119.742 119.914 0.026 0.000 2.307 594 V HA -0.185 3.935 4.120 0.000 0.000 0.245 594 V C 3.064 179.176 176.094 0.030 0.000 1.045 594 V CA 1.794 64.113 62.300 0.031 0.000 1.024 594 V CB -1.287 30.557 31.823 0.034 0.000 0.651 594 V HN 0.610 nan 8.190 nan 0.000 0.449 595 A N -0.180 122.655 122.820 0.025 0.000 1.908 595 A HA -0.258 4.062 4.320 0.000 0.000 0.218 595 A C 2.405 180.004 177.584 0.025 0.000 1.181 595 A CA 2.730 54.779 52.037 0.021 0.000 0.627 595 A CB -1.028 17.983 19.000 0.018 0.000 0.818 595 A HN 0.500 nan 8.150 nan 0.000 0.445 596 T N -0.441 114.129 114.554 0.027 0.000 2.737 596 T HA -0.006 4.344 4.350 0.000 0.000 0.265 596 T C 1.998 176.725 174.700 0.044 0.000 1.038 596 T CA 1.425 63.544 62.100 0.031 0.000 1.144 596 T CB -0.690 68.192 68.868 0.023 0.000 0.866 596 T HN 0.596 nan 8.240 nan 0.000 0.434 597 G N 1.333 110.158 108.800 0.043 0.000 2.450 597 G HA2 -0.151 3.809 3.960 0.000 0.000 0.220 597 G HA3 -0.151 3.809 3.960 0.000 0.000 0.220 597 G C 1.497 176.442 174.900 0.076 0.000 1.130 597 G CA 0.507 45.639 45.100 0.054 0.000 0.760 597 G HN 0.437 nan 8.290 nan 0.000 0.557 598 L N -0.087 121.177 121.223 0.069 0.000 2.046 598 L HA -0.035 4.305 4.340 0.000 0.000 0.208 598 L C 2.819 179.769 176.870 0.132 0.000 1.077 598 L CA 0.853 55.743 54.840 0.083 0.000 0.747 598 L CB -0.306 41.779 42.059 0.043 0.000 0.896 598 L HN 0.223 nan 8.230 nan 0.000 0.432 599 I N -0.609 120.029 120.570 0.113 0.000 2.353 599 I HA -0.250 3.920 4.170 0.000 0.000 0.248 599 I C 2.349 178.636 176.117 0.283 0.000 1.119 599 I CA 0.974 62.378 61.300 0.174 0.000 1.417 599 I CB -0.137 37.916 38.000 0.089 0.000 1.078 599 I HN 0.212 nan 8.210 nan 0.000 0.421 600 L N -0.226 121.105 121.223 0.179 0.000 2.093 600 L HA -0.184 4.156 4.340 0.000 0.000 0.208 600 L C 2.702 179.687 176.870 0.192 0.000 1.085 600 L CA 1.235 56.173 54.840 0.164 0.000 0.755 600 L CB -0.545 41.569 42.059 0.092 0.000 0.904 600 L HN 0.223 nan 8.230 nan 0.000 0.435 601 S N -0.737 115.071 115.700 0.180 0.000 2.387 601 S HA -0.212 4.258 4.470 0.000 0.000 0.226 601 S C 1.725 176.441 174.600 0.193 0.000 1.026 601 S CA 0.780 59.071 58.200 0.152 0.000 0.972 601 S CB -0.327 62.949 63.200 0.126 0.000 0.814 601 S HN 0.551 nan 8.310 nan 0.000 0.477 602 W N 1.873 123.216 121.300 0.071 0.000 2.358 602 W HA -0.116 4.544 4.660 -0.000 0.000 0.303 602 W C 2.280 178.872 176.519 0.120 0.000 1.208 602 W CA 1.882 59.266 57.345 0.064 0.000 1.274 602 W CB -0.835 28.634 29.460 0.014 0.000 1.138 602 W HN 0.485 nan 8.180 nan 0.000 0.515 603 H N 0.730 119.792 119.070 -0.013 0.000 2.428 603 H HA -0.113 4.443 4.556 -0.000 0.000 0.296 603 H C 2.124 177.363 175.328 -0.148 0.000 1.062 603 H CA 1.723 57.623 56.048 -0.246 0.000 1.350 603 H CB -0.152 29.644 29.762 0.056 0.000 1.403 603 H HN 0.133 nan 8.280 nan 0.000 0.533 604 K N 1.744 122.147 120.400 0.006 0.000 2.155 604 K HA -0.122 4.198 4.320 0.000 0.000 0.203 604 K C 1.716 178.254 176.600 -0.104 0.000 1.052 604 K CA 1.633 57.904 56.287 -0.026 0.000 0.948 604 K CB 0.011 32.535 32.500 0.040 0.000 0.728 604 K HN 0.665 nan 8.250 nan 0.000 0.448 605 E N -1.043 119.091 120.200 -0.111 0.000 2.385 605 E HA -0.012 4.338 4.350 0.000 0.000 0.194 605 E C 0.729 177.233 176.600 -0.161 0.000 1.013 605 E CA -0.280 56.058 56.400 -0.103 0.000 0.866 605 E CB -0.184 29.492 29.700 -0.041 0.000 0.832 605 E HN 0.084 nan 8.360 nan 0.000 0.500 606 F N 0.000 119.641 119.950 -0.516 0.000 2.286 606 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 606 F CA 0.000 57.635 58.000 -0.608 0.000 1.383 606 F CB 0.000 38.324 39.000 -1.127 0.000 1.145 606 F HN 0.000 nan 8.300 nan 0.000 0.574