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 2d0p_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 0.000 176.209 176.300 -0.151 0.000 1.140 1 M CA 0.000 55.225 55.300 -0.126 0.000 0.988 1 M CB 0.000 32.522 32.600 -0.130 0.000 1.302 2 R N 2.762 123.163 120.500 -0.165 0.000 2.778 2 R HA 0.748 5.088 4.340 0.000 0.000 0.277 2 R C -1.556 174.603 176.300 -0.235 0.000 0.977 2 R CA -0.779 55.260 56.100 -0.102 0.000 0.950 2 R CB 1.957 32.282 30.300 0.042 0.000 1.165 2 R HN 0.618 nan 8.270 nan 0.000 0.474 3 Y N 1.959 122.270 120.300 0.019 0.000 2.335 3 Y HA 0.395 4.946 4.550 0.000 0.000 0.338 3 Y C 0.005 175.869 175.900 -0.060 0.000 0.977 3 Y CA -0.825 57.270 58.100 -0.009 0.000 1.114 3 Y CB 1.351 39.799 38.460 -0.020 0.000 1.182 3 Y HN 0.202 nan 8.280 nan 0.000 0.463 4 I N 3.115 123.720 120.570 0.058 0.000 2.441 4 I HA 0.622 4.792 4.170 0.000 0.000 0.295 4 I C -0.106 175.954 176.117 -0.095 0.000 0.994 4 I CA -1.058 60.157 61.300 -0.143 0.000 1.144 4 I CB 1.328 39.099 38.000 -0.380 0.000 1.314 4 I HN 0.650 nan 8.210 nan 0.000 0.445 5 A N 4.370 127.110 122.820 -0.134 0.000 2.318 5 A HA 0.791 5.111 4.320 0.000 0.000 0.324 5 A C 0.167 177.684 177.584 -0.111 0.000 1.170 5 A CA -0.519 51.465 52.037 -0.089 0.000 0.810 5 A CB 1.225 20.183 19.000 -0.071 0.000 1.198 5 A HN 0.860 nan 8.150 nan 0.000 0.484 6 G N 1.139 109.898 108.800 -0.070 0.000 2.332 6 G HA2 0.572 4.532 3.960 0.000 0.000 0.310 6 G HA3 0.572 4.532 3.960 0.000 0.000 0.310 6 G C -0.710 174.170 174.900 -0.034 0.000 1.123 6 G CA -0.334 44.732 45.100 -0.055 0.000 0.873 6 G HN 0.656 nan 8.290 nan 0.000 0.460 7 I N 1.601 122.152 120.570 -0.031 0.000 2.499 7 I HA 0.262 4.432 4.170 0.000 0.000 0.288 7 I C -1.480 174.633 176.117 -0.006 0.000 1.048 7 I CA -0.691 60.599 61.300 -0.017 0.000 1.062 7 I CB 2.630 40.617 38.000 -0.023 0.000 1.238 7 I HN 0.539 nan 8.210 nan 0.000 0.426 8 D N 7.652 128.054 120.400 0.003 0.000 2.549 8 D HA 0.421 5.061 4.640 0.000 0.000 0.251 8 D C -0.902 175.408 176.300 0.018 0.000 1.153 8 D CA -0.347 53.660 54.000 0.012 0.000 0.861 8 D CB 1.254 42.062 40.800 0.012 0.000 1.207 8 D HN 0.328 nan 8.370 nan 0.000 0.543 9 I N 4.016 124.599 120.570 0.022 0.000 2.316 9 I HA 0.397 4.567 4.170 0.000 0.000 0.286 9 I C 1.146 177.282 176.117 0.033 0.000 1.107 9 I CA -0.778 60.538 61.300 0.027 0.000 1.219 9 I CB 0.814 38.831 38.000 0.028 0.000 1.455 9 I HN 0.388 nan 8.210 nan 0.000 0.498 10 G N 3.109 111.928 108.800 0.032 0.000 2.588 10 G HA2 0.031 3.991 3.960 0.000 0.000 0.281 10 G HA3 0.031 3.991 3.960 0.000 0.000 0.281 10 G C 0.653 175.575 174.900 0.037 0.000 1.236 10 G CA -0.312 44.810 45.100 0.037 0.000 0.969 10 G HN 0.478 nan 8.290 nan 0.000 0.504 11 N N -1.156 117.568 118.700 0.040 0.000 2.331 11 N HA -0.073 4.668 4.740 0.000 0.000 0.180 11 N C 2.111 177.641 175.510 0.033 0.000 1.019 11 N CA 1.288 54.360 53.050 0.037 0.000 0.881 11 N CB 0.366 38.877 38.487 0.040 0.000 0.972 11 N HN 0.363 nan 8.380 nan 0.000 0.435 12 S N -1.325 114.395 115.700 0.032 0.000 2.620 12 S HA 0.193 4.663 4.470 0.000 0.000 0.234 12 S C 0.178 174.795 174.600 0.029 0.000 1.064 12 S CA -0.202 58.016 58.200 0.029 0.000 0.920 12 S CB -0.147 63.071 63.200 0.030 0.000 0.826 12 S HN 0.289 nan 8.310 nan 0.000 0.557 13 S N 1.407 117.124 115.700 0.028 0.000 2.475 13 S HA 0.617 5.087 4.470 0.000 0.000 0.298 13 S C -0.759 173.857 174.600 0.026 0.000 1.119 13 S CA -0.617 57.599 58.200 0.026 0.000 1.085 13 S CB 1.583 64.797 63.200 0.023 0.000 1.028 13 S HN 0.240 nan 8.310 nan 0.000 0.489 14 T N 3.135 117.704 114.554 0.027 0.000 2.743 14 T HA 0.339 4.690 4.350 0.000 0.000 0.292 14 T C -0.360 174.352 174.700 0.019 0.000 0.972 14 T CA -0.480 61.634 62.100 0.024 0.000 0.967 14 T CB 0.372 69.257 68.868 0.029 0.000 0.926 14 T HN 0.633 nan 8.240 nan 0.000 0.459 15 E N 1.671 121.880 120.200 0.015 0.000 2.191 15 E HA 0.634 4.984 4.350 0.000 0.000 0.274 15 E C -0.995 175.609 176.600 0.007 0.000 0.948 15 E CA -0.856 55.551 56.400 0.012 0.000 0.802 15 E CB 2.599 32.306 29.700 0.012 0.000 1.137 15 E HN 0.295 nan 8.360 nan 0.000 0.397 16 V N 1.179 121.097 119.914 0.006 0.000 2.735 16 V HA 0.784 4.905 4.120 0.000 0.000 0.310 16 V C -1.495 174.603 176.094 0.008 0.000 1.061 16 V CA -0.474 61.827 62.300 0.000 0.000 0.913 16 V CB 1.716 33.535 31.823 -0.006 0.000 1.005 16 V HN 0.771 nan 8.190 nan 0.000 0.428 17 A N 6.155 128.977 122.820 0.003 0.000 2.330 17 A HA 0.836 5.156 4.320 0.000 0.000 0.313 17 A C -1.390 176.206 177.584 0.019 0.000 1.124 17 A CA -0.539 51.508 52.037 0.016 0.000 0.774 17 A CB 1.406 20.412 19.000 0.009 0.000 1.198 17 A HN 1.070 nan 8.150 nan 0.000 0.465 18 L N 2.254 123.511 121.223 0.057 0.000 2.329 18 L HA 0.914 5.254 4.340 0.000 0.000 0.279 18 L C 0.025 176.974 176.870 0.131 0.000 1.014 18 L CA -0.252 54.636 54.840 0.081 0.000 0.814 18 L CB 1.344 43.446 42.059 0.072 0.000 1.257 18 L HN 1.066 nan 8.230 nan 0.000 0.424 19 A N 1.960 124.866 122.820 0.143 0.000 2.566 19 A HA 0.849 5.170 4.320 0.000 0.000 0.292 19 A C -0.866 176.809 177.584 0.151 0.000 1.112 19 A CA -0.137 51.977 52.037 0.128 0.000 0.707 19 A CB 1.609 20.649 19.000 0.066 0.000 1.302 19 A HN 0.759 nan 8.150 nan 0.000 0.409 20 T N -0.843 113.757 114.554 0.077 0.000 2.807 20 T HA 0.585 4.935 4.350 0.000 0.000 0.279 20 T C -0.924 173.771 174.700 -0.007 0.000 0.993 20 T CA -0.430 61.643 62.100 -0.044 0.000 0.970 20 T CB 1.179 69.988 68.868 -0.098 0.000 0.950 20 T HN 0.957 nan 8.240 nan 0.000 0.441 21 L N 3.952 125.167 121.223 -0.013 0.000 2.297 21 L HA 0.434 4.774 4.340 0.000 0.000 0.277 21 L C -0.290 176.581 176.870 0.002 0.000 1.040 21 L CA -0.417 54.466 54.840 0.071 0.000 0.867 21 L CB 0.044 42.217 42.059 0.191 0.000 1.244 21 L HN 0.887 nan 8.230 nan 0.000 0.433 22 D N 1.426 121.828 120.400 0.002 0.000 2.384 22 D HA 0.054 4.694 4.640 0.000 0.000 0.244 22 D C 0.713 177.016 176.300 0.005 0.000 1.251 22 D CA -0.224 53.766 54.000 -0.015 0.000 0.961 22 D CB 0.775 41.571 40.800 -0.007 0.000 1.116 22 D HN 0.456 nan 8.370 nan 0.000 0.484 23 E N -0.171 120.027 120.200 -0.003 0.000 2.160 23 E HA -0.127 4.223 4.350 0.000 0.000 0.195 23 E C 1.988 178.592 176.600 0.007 0.000 0.991 23 E CA 1.635 58.036 56.400 0.002 0.000 0.810 23 E CB -0.529 29.169 29.700 -0.003 0.000 0.742 23 E HN 0.549 nan 8.360 nan 0.000 0.466 24 A N -0.275 122.551 122.820 0.010 0.000 1.969 24 A HA 0.188 4.509 4.320 0.000 0.000 0.218 24 A C 1.916 179.513 177.584 0.020 0.000 1.169 24 A CA 1.482 53.526 52.037 0.011 0.000 0.635 24 A CB -0.414 18.595 19.000 0.014 0.000 0.810 24 A HN 0.381 nan 8.150 nan 0.000 0.445 25 G N -2.985 105.842 108.800 0.045 0.000 2.148 25 G HA2 0.261 4.221 3.960 0.000 0.000 0.157 25 G HA3 0.261 4.221 3.960 0.000 0.000 0.157 25 G C 0.140 175.134 174.900 0.156 0.000 1.012 25 G CA 0.090 45.236 45.100 0.078 0.000 0.677 25 G HN 1.483 nan 8.290 nan 0.000 0.506 26 A N 0.861 123.752 122.820 0.119 0.000 2.274 26 A HA 0.765 5.085 4.320 0.000 0.000 0.309 26 A C 0.119 177.750 177.584 0.077 0.000 1.226 26 A CA -0.505 51.604 52.037 0.120 0.000 0.853 26 A CB 1.035 20.075 19.000 0.066 0.000 1.146 26 A HN 0.797 nan 8.150 nan 0.000 0.518 27 L N 2.518 123.735 121.223 -0.010 0.000 2.312 27 L HA 0.596 4.936 4.340 0.000 0.000 0.281 27 L C -0.243 176.585 176.870 -0.070 0.000 1.070 27 L CA 0.711 55.490 54.840 -0.102 0.000 0.805 27 L CB 1.115 42.904 42.059 -0.450 0.000 1.174 27 L HN 0.743 nan 8.230 nan 0.000 0.434 28 T N 6.015 120.558 114.554 -0.019 0.000 3.050 28 T HA 0.485 4.835 4.350 0.000 0.000 0.310 28 T C -0.015 174.696 174.700 0.018 0.000 0.978 28 T CA -0.327 61.769 62.100 -0.007 0.000 1.013 28 T CB 0.915 69.786 68.868 0.006 0.000 1.000 28 T HN 0.329 nan 8.240 nan 0.000 0.447 29 I N 3.683 124.257 120.570 0.006 0.000 2.322 29 I HA 0.249 4.419 4.170 0.000 0.000 0.292 29 I C 1.497 177.617 176.117 0.006 0.000 1.060 29 I CA -0.355 60.960 61.300 0.024 0.000 1.309 29 I CB 0.994 39.000 38.000 0.010 0.000 1.415 29 I HN 0.761 nan 8.210 nan 0.000 0.492 30 T N 0.374 114.953 114.554 0.042 0.000 3.003 30 T HA 0.272 4.623 4.350 0.000 0.000 0.261 30 T C 0.258 174.715 174.700 -0.405 0.000 1.003 30 T CA 0.011 62.060 62.100 -0.085 0.000 0.917 30 T CB 0.034 68.942 68.868 0.066 0.000 1.084 30 T HN 0.601 nan 8.240 nan 0.000 0.522 31 H N 0.622 119.705 119.070 0.022 0.000 3.017 31 H HA 0.715 5.272 4.556 0.000 0.000 0.346 31 H C -0.842 174.487 175.328 0.002 0.000 1.286 31 H CA -0.433 55.621 56.048 0.009 0.000 1.120 31 H CB 2.042 31.806 29.762 0.004 0.000 1.860 31 H HN 0.328 nan 8.280 nan 0.000 0.542 32 S N 0.561 116.335 115.700 0.123 0.000 2.656 32 S HA 0.982 5.452 4.470 0.000 0.000 0.273 32 S C -1.297 173.336 174.600 0.055 0.000 1.168 32 S CA -0.163 58.075 58.200 0.065 0.000 0.817 32 S CB 2.352 65.570 63.200 0.031 0.000 1.146 32 S HN 1.185 nan 8.310 nan 0.000 0.475 33 A N -0.125 122.714 122.820 0.032 0.000 2.511 33 A HA 0.826 5.146 4.320 0.000 0.000 0.293 33 A C -2.055 175.540 177.584 0.017 0.000 1.098 33 A CA -0.390 51.661 52.037 0.024 0.000 0.643 33 A CB 0.658 19.669 19.000 0.018 0.000 1.302 33 A HN 2.208 nan 8.150 nan 0.000 0.446 34 L N -3.291 117.942 121.223 0.017 0.000 2.518 34 L HA 1.047 5.388 4.340 0.000 0.000 0.257 34 L C -0.506 176.375 176.870 0.019 0.000 0.980 34 L CA -0.273 54.577 54.840 0.017 0.000 0.837 34 L CB 1.341 43.410 42.059 0.017 0.000 1.410 34 L HN 2.033 nan 8.230 nan 0.000 0.410 35 A N 0.763 123.596 122.820 0.022 0.000 2.515 35 A HA 0.714 5.034 4.320 0.000 0.000 0.296 35 A C -0.892 176.710 177.584 0.029 0.000 1.094 35 A CA -0.590 51.462 52.037 0.026 0.000 0.718 35 A CB 1.371 20.389 19.000 0.029 0.000 1.307 35 A HN 0.883 nan 8.150 nan 0.000 0.408 36 E N 1.116 121.334 120.200 0.029 0.000 2.292 36 E HA 0.228 4.578 4.350 0.000 0.000 0.265 36 E C -0.266 176.353 176.600 0.033 0.000 1.093 36 E CA 0.060 56.477 56.400 0.028 0.000 0.922 36 E CB 0.209 29.923 29.700 0.022 0.000 1.001 36 E HN 0.584 nan 8.360 nan 0.000 0.444 37 T N 3.628 118.202 114.554 0.033 0.000 2.946 37 T HA -0.010 4.340 4.350 0.000 0.000 0.312 37 T C 0.047 174.769 174.700 0.035 0.000 1.066 37 T CA 0.372 62.496 62.100 0.039 0.000 1.138 37 T CB 0.373 69.262 68.868 0.035 0.000 1.014 37 T HN 0.547 nan 8.240 nan 0.000 0.544 38 T N 0.593 115.179 114.554 0.053 0.000 2.772 38 T HA 0.670 5.020 4.350 0.000 0.000 0.288 38 T C 0.434 175.160 174.700 0.043 0.000 0.994 38 T CA -0.165 61.955 62.100 0.033 0.000 0.951 38 T CB 1.099 70.002 68.868 0.058 0.000 0.933 38 T HN 1.146 nan 8.240 nan 0.000 0.447 39 G N 2.723 111.530 108.800 0.012 0.000 2.728 39 G HA2 0.003 3.963 3.960 0.000 0.000 0.294 39 G HA3 0.003 3.963 3.960 0.000 0.000 0.294 39 G C -0.818 174.095 174.900 0.023 0.000 1.342 39 G CA -0.699 44.412 45.100 0.019 0.000 0.866 39 G HN 0.899 nan 8.290 nan 0.000 0.534 40 I N 1.153 121.736 120.570 0.021 0.000 2.428 40 I HA 0.308 4.478 4.170 0.000 0.000 0.289 40 I C 1.275 177.407 176.117 0.025 0.000 1.019 40 I CA -0.468 60.844 61.300 0.020 0.000 1.351 40 I CB 1.628 39.635 38.000 0.012 0.000 1.412 40 I HN 0.641 nan 8.210 nan 0.000 0.513 41 K N 5.304 125.720 120.400 0.027 0.000 2.364 41 K HA -0.037 4.284 4.320 0.000 0.000 0.265 41 K C 0.903 177.518 176.600 0.025 0.000 1.189 41 K CA 1.207 57.512 56.287 0.030 0.000 1.224 41 K CB -0.694 31.826 32.500 0.035 0.000 0.813 41 K HN 1.011 nan 8.250 nan 0.000 0.490 42 G N 2.373 111.189 108.800 0.026 0.000 2.192 42 G HA2 -0.258 3.702 3.960 0.000 0.000 0.193 42 G HA3 -0.258 3.702 3.960 0.000 0.000 0.193 42 G C 0.227 175.140 174.900 0.021 0.000 0.999 42 G CA 0.161 45.274 45.100 0.021 0.000 0.659 42 G HN 0.836 nan 8.290 nan 0.000 0.503 43 T N -1.556 113.014 114.554 0.027 0.000 2.771 43 T HA 0.638 4.988 4.350 0.000 0.000 0.290 43 T C 1.362 176.085 174.700 0.039 0.000 1.005 43 T CA 0.234 62.352 62.100 0.029 0.000 0.944 43 T CB 1.317 70.204 68.868 0.032 0.000 1.147 43 T HN 0.562 nan 8.240 nan 0.000 0.534 44 L N -0.068 121.182 121.223 0.045 0.000 2.446 44 L HA 0.299 4.639 4.340 0.000 0.000 0.219 44 L C 2.700 179.626 176.870 0.093 0.000 1.116 44 L CA 0.862 55.731 54.840 0.049 0.000 0.844 44 L CB -0.603 41.478 42.059 0.038 0.000 0.970 44 L HN 0.558 nan 8.230 nan 0.000 0.457 45 R N -0.439 120.141 120.500 0.133 0.000 2.189 45 R HA -0.077 4.263 4.340 0.000 0.000 0.223 45 R C 1.606 178.085 176.300 0.298 0.000 1.092 45 R CA 1.122 57.377 56.100 0.257 0.000 0.989 45 R CB -0.736 29.656 30.300 0.153 0.000 0.876 45 R HN 0.593 nan 8.270 nan 0.000 0.457 46 N N 0.638 119.431 118.700 0.155 0.000 2.322 46 N HA -0.173 4.568 4.740 0.000 0.000 0.189 46 N C 1.657 177.238 175.510 0.118 0.000 1.012 46 N CA 0.990 54.114 53.050 0.122 0.000 0.880 46 N CB -0.152 38.373 38.487 0.064 0.000 0.967 46 N HN 0.016 nan 8.380 nan 0.000 0.439 47 V N 1.003 120.960 119.914 0.071 0.000 2.255 47 V HA -0.276 3.844 4.120 0.000 0.000 0.247 47 V C 1.719 177.773 176.094 -0.066 0.000 1.051 47 V CA 1.818 64.074 62.300 -0.073 0.000 1.018 47 V CB -0.856 30.824 31.823 -0.238 0.000 0.641 47 V HN 0.193 nan 8.190 nan 0.000 0.445 48 F N 1.607 121.555 119.950 -0.004 0.000 2.065 48 F HA -0.133 4.395 4.527 0.000 0.000 0.298 48 F C 2.565 178.363 175.800 -0.004 0.000 1.112 48 F CA 1.681 59.679 58.000 -0.004 0.000 1.212 48 F CB -1.746 37.254 39.000 -0.001 0.000 0.975 48 F HN 0.194 nan 8.300 nan 0.000 0.476 49 G N 0.843 109.785 108.800 0.236 0.000 2.553 49 G HA2 -0.285 3.676 3.960 0.000 0.000 0.218 49 G HA3 -0.285 3.676 3.960 0.000 0.000 0.218 49 G C 1.730 176.672 174.900 0.069 0.000 1.195 49 G CA 1.590 46.762 45.100 0.119 0.000 0.779 49 G HN 0.419 nan 8.290 nan 0.000 0.577 50 I N 0.476 121.075 120.570 0.048 0.000 2.361 50 I HA -0.202 3.968 4.170 0.000 0.000 0.251 50 I C 3.026 179.141 176.117 -0.002 0.000 1.133 50 I CA 1.041 62.349 61.300 0.012 0.000 1.413 50 I CB -0.306 37.691 38.000 -0.005 0.000 1.073 50 I HN 0.266 nan 8.210 nan 0.000 0.424 51 Q N 0.478 120.276 119.800 -0.004 0.000 2.084 51 Q HA -0.260 4.080 4.340 0.000 0.000 0.202 51 Q C 2.094 178.094 176.000 0.000 0.000 0.978 51 Q CA 1.667 57.459 55.803 -0.018 0.000 0.844 51 Q CB -0.177 28.540 28.738 -0.035 0.000 0.898 51 Q HN 0.476 nan 8.270 nan 0.000 0.426 52 E N 1.008 121.224 120.200 0.027 0.000 2.015 52 E HA -0.151 4.199 4.350 0.000 0.000 0.191 52 E C 1.921 178.527 176.600 0.010 0.000 0.991 52 E CA 1.391 57.806 56.400 0.026 0.000 0.802 52 E CB -0.289 29.439 29.700 0.046 0.000 0.759 52 E HN 0.300 nan 8.360 nan 0.000 0.447 53 A N 0.632 123.459 122.820 0.013 0.000 1.903 53 A HA -0.242 4.078 4.320 0.000 0.000 0.219 53 A C 2.340 179.917 177.584 -0.012 0.000 1.191 53 A CA 1.930 53.970 52.037 0.004 0.000 0.638 53 A CB -1.082 17.923 19.000 0.008 0.000 0.823 53 A HN 0.353 nan 8.150 nan 0.000 0.451 54 L N -0.890 120.321 121.223 -0.020 0.000 1.970 54 L HA -0.251 4.089 4.340 0.000 0.000 0.212 54 L C 3.157 179.999 176.870 -0.048 0.000 1.071 54 L CA 1.466 56.282 54.840 -0.039 0.000 0.751 54 L CB -0.660 41.373 42.059 -0.044 0.000 0.889 54 L HN 0.452 nan 8.230 nan 0.000 0.432 55 A N 0.070 122.868 122.820 -0.037 0.000 1.903 55 A HA -0.235 4.085 4.320 0.000 0.000 0.219 55 A C 2.187 179.744 177.584 -0.044 0.000 1.191 55 A CA 2.003 54.016 52.037 -0.040 0.000 0.638 55 A CB -0.966 18.021 19.000 -0.022 0.000 0.823 55 A HN 0.371 nan 8.150 nan 0.000 0.451 56 L N -1.194 120.012 121.223 -0.029 0.000 1.924 56 L HA -0.198 4.142 4.340 0.000 0.000 0.222 56 L C 2.415 179.258 176.870 -0.045 0.000 1.081 56 L CA 1.689 56.513 54.840 -0.025 0.000 0.780 56 L CB -1.285 40.770 42.059 -0.007 0.000 0.891 56 L HN 0.276 nan 8.230 nan 0.000 0.434 57 V N 0.175 120.066 119.914 -0.039 0.000 2.428 57 V HA -0.388 3.732 4.120 0.000 0.000 0.255 57 V C 2.634 178.644 176.094 -0.139 0.000 1.080 57 V CA 1.974 64.243 62.300 -0.051 0.000 1.083 57 V CB -0.550 31.256 31.823 -0.029 0.000 0.665 57 V HN 0.546 nan 8.190 nan 0.000 0.461 58 A N 0.073 122.808 122.820 -0.140 0.000 1.834 58 A HA -0.277 4.043 4.320 0.000 0.000 0.216 58 A C 2.244 179.710 177.584 -0.197 0.000 1.203 58 A CA 2.203 54.124 52.037 -0.194 0.000 0.621 58 A CB -0.766 18.145 19.000 -0.148 0.000 0.841 58 A HN 0.583 nan 8.150 nan 0.000 0.446 59 R N -0.965 119.458 120.500 -0.128 0.000 2.133 59 R HA -0.169 4.172 4.340 0.000 0.000 0.247 59 R C 2.290 178.520 176.300 -0.117 0.000 1.151 59 R CA 1.240 57.279 56.100 -0.102 0.000 0.971 59 R CB -0.855 29.410 30.300 -0.058 0.000 0.866 59 R HN 0.582 nan 8.270 nan 0.000 0.447 60 G N 0.505 109.232 108.800 -0.122 0.000 2.462 60 G HA2 -0.226 3.734 3.960 0.000 0.000 0.220 60 G HA3 -0.226 3.734 3.960 0.000 0.000 0.220 60 G C 1.132 175.823 174.900 -0.348 0.000 1.121 60 G CA 0.852 45.894 45.100 -0.096 0.000 0.758 60 G HN 0.451 nan 8.290 nan 0.000 0.559 61 A N -0.868 121.579 122.820 -0.620 0.000 2.503 61 A HA 0.545 4.865 4.320 0.000 0.000 0.263 61 A C 1.932 179.340 177.584 -0.293 0.000 1.258 61 A CA 0.911 52.499 52.037 -0.749 0.000 0.936 61 A CB -0.241 18.187 19.000 -0.954 0.000 1.070 61 A HN 1.473 nan 8.150 nan 0.000 0.522 62 G N 0.615 109.294 108.800 -0.202 0.000 2.302 62 G HA2 -0.364 3.597 3.960 0.000 0.000 0.263 62 G HA3 -0.364 3.597 3.960 0.000 0.000 0.263 62 G C 0.622 175.444 174.900 -0.130 0.000 0.995 62 G CA 0.754 45.783 45.100 -0.117 0.000 0.622 62 G HN 1.396 nan 8.290 nan 0.000 0.538 63 I N -0.566 119.877 120.570 -0.212 0.000 3.327 63 I HA 0.629 4.799 4.170 0.000 0.000 0.280 63 I C 0.720 176.721 176.117 -0.194 0.000 1.207 63 I CA -0.369 60.788 61.300 -0.239 0.000 1.280 63 I CB 0.682 38.372 38.000 -0.518 0.000 1.417 63 I HN 0.525 nan 8.210 nan 0.000 0.639 64 A N 3.098 125.823 122.820 -0.159 0.000 2.269 64 A HA 0.504 4.824 4.320 0.000 0.000 0.319 64 A C 0.999 178.501 177.584 -0.136 0.000 1.110 64 A CA -0.608 51.358 52.037 -0.117 0.000 0.847 64 A CB 1.213 20.170 19.000 -0.072 0.000 1.161 64 A HN 0.743 nan 8.150 nan 0.000 0.497 65 V N 1.293 121.146 119.914 -0.101 0.000 2.324 65 V HA -0.257 3.863 4.120 0.000 0.000 0.250 65 V C 2.640 178.685 176.094 -0.082 0.000 1.060 65 V CA 2.869 65.112 62.300 -0.094 0.000 1.042 65 V CB -1.000 30.783 31.823 -0.067 0.000 0.650 65 V HN 1.060 nan 8.190 nan 0.000 0.450 66 S N -0.668 114.995 115.700 -0.061 0.000 2.555 66 S HA -0.119 4.351 4.470 0.000 0.000 0.230 66 S C 1.286 175.873 174.600 -0.021 0.000 0.978 66 S CA 0.947 59.125 58.200 -0.037 0.000 0.934 66 S CB -0.343 62.842 63.200 -0.025 0.000 0.766 66 S HN 0.592 nan 8.310 nan 0.000 0.533 67 D N 1.410 121.787 120.400 -0.039 0.000 2.363 67 D HA 0.218 4.859 4.640 0.000 0.000 0.220 67 D C 0.353 176.707 176.300 0.089 0.000 0.994 67 D CA 0.187 54.202 54.000 0.026 0.000 0.890 67 D CB -0.125 40.669 40.800 -0.010 0.000 0.906 67 D HN 0.482 nan 8.370 nan 0.000 0.530 68 I N 1.585 122.160 120.570 0.009 0.000 2.471 68 I HA -0.048 4.122 4.170 0.000 0.000 0.286 68 I C 1.591 177.730 176.117 0.037 0.000 1.079 68 I CA -0.111 61.213 61.300 0.040 0.000 1.398 68 I CB 1.343 39.324 38.000 -0.032 0.000 1.403 68 I HN -0.125 nan 8.210 nan 0.000 0.530 69 S N 6.623 122.357 115.700 0.057 0.000 2.421 69 S HA 0.089 4.559 4.470 0.000 0.000 0.224 69 S C 0.240 174.837 174.600 -0.004 0.000 1.035 69 S CA -0.047 58.174 58.200 0.036 0.000 0.953 69 S CB 0.114 63.350 63.200 0.059 0.000 0.810 69 S HN 0.544 nan 8.310 nan 0.000 0.497 70 L N 0.578 121.769 121.223 -0.054 0.000 2.476 70 L HA 0.642 4.983 4.340 0.000 0.000 0.269 70 L C -1.560 175.212 176.870 -0.164 0.000 0.965 70 L CA -0.716 54.055 54.840 -0.116 0.000 0.845 70 L CB 1.634 43.583 42.059 -0.184 0.000 1.259 70 L HN 0.142 nan 8.230 nan 0.000 0.403 71 I N 4.313 124.809 120.570 -0.123 0.000 2.428 71 I HA 0.498 4.669 4.170 0.000 0.000 0.296 71 I C 0.033 176.067 176.117 -0.138 0.000 0.985 71 I CA -0.510 60.718 61.300 -0.121 0.000 1.260 71 I CB 1.414 39.369 38.000 -0.076 0.000 1.389 71 I HN 0.623 nan 8.210 nan 0.000 0.484 72 R N 5.805 126.220 120.500 -0.141 0.000 2.599 72 R HA 0.659 4.999 4.340 0.000 0.000 0.295 72 R C -1.073 175.192 176.300 -0.058 0.000 0.963 72 R CA -0.693 55.341 56.100 -0.110 0.000 0.883 72 R CB 1.899 32.109 30.300 -0.150 0.000 1.171 72 R HN 0.432 nan 8.270 nan 0.000 0.450 73 I N 2.065 122.617 120.570 -0.031 0.000 2.797 73 I HA 0.312 4.482 4.170 0.000 0.000 0.307 73 I C -0.211 175.907 176.117 0.002 0.000 1.033 73 I CA -1.238 60.054 61.300 -0.013 0.000 1.071 73 I CB 1.634 39.629 38.000 -0.008 0.000 1.255 73 I HN 0.645 nan 8.210 nan 0.000 0.445 74 N N 1.800 120.506 118.700 0.010 0.000 2.509 74 N HA 0.083 4.824 4.740 0.000 0.000 0.287 74 N C -0.477 175.046 175.510 0.022 0.000 1.121 74 N CA -0.475 52.587 53.050 0.021 0.000 0.977 74 N CB 1.124 39.627 38.487 0.026 0.000 1.167 74 N HN 0.495 nan 8.380 nan 0.000 0.476 75 E N 0.546 120.761 120.200 0.026 0.000 2.059 75 E HA 0.224 4.575 4.350 0.000 0.000 0.262 75 E C -0.536 176.079 176.600 0.025 0.000 1.230 75 E CA -0.247 56.167 56.400 0.023 0.000 0.951 75 E CB -0.329 29.385 29.700 0.024 0.000 1.038 75 E HN 0.637 nan 8.360 nan 0.000 0.425 76 A N 4.523 127.356 122.820 0.022 0.000 2.544 76 A HA 0.142 4.462 4.320 0.000 0.000 0.301 76 A C 0.340 177.934 177.584 0.017 0.000 1.368 76 A CA -0.304 51.748 52.037 0.025 0.000 1.045 76 A CB -0.320 18.695 19.000 0.024 0.000 1.129 76 A HN 0.613 nan 8.150 nan 0.000 0.540 77 T N 2.538 117.099 114.554 0.012 0.000 2.743 77 T HA 0.409 4.760 4.350 0.000 0.000 0.290 77 T C -2.224 172.472 174.700 -0.006 0.000 0.908 77 T CA -1.742 60.352 62.100 -0.009 0.000 1.092 77 T CB 0.252 69.095 68.868 -0.043 0.000 0.882 77 T HN 0.458 nan 8.240 nan 0.000 0.531 78 P HA 0.252 nan 4.420 nan 0.000 0.267 78 P C -0.764 176.533 177.300 -0.004 0.000 1.209 78 P CA -0.230 62.871 63.100 0.002 0.000 0.763 78 P CB 0.760 32.460 31.700 0.001 0.000 0.816 79 V N 5.156 125.075 119.914 0.008 0.000 2.841 79 V HA 0.567 4.687 4.120 0.000 0.000 0.310 79 V C 0.386 176.492 176.094 0.018 0.000 1.090 79 V CA -0.777 61.529 62.300 0.010 0.000 0.930 79 V CB 2.100 33.938 31.823 0.025 0.000 1.014 79 V HN 0.539 nan 8.190 nan 0.000 0.425 80 I N 0.678 121.256 120.570 0.014 0.000 2.865 80 I HA 1.072 5.242 4.170 0.000 0.000 0.302 80 I C -0.063 176.068 176.117 0.023 0.000 1.140 80 I CA -0.513 60.797 61.300 0.017 0.000 1.021 80 I CB 2.526 40.528 38.000 0.004 0.000 1.233 80 I HN 0.730 nan 8.210 nan 0.000 0.427 81 G N 1.724 110.541 108.800 0.029 0.000 2.725 81 G HA2 0.661 4.621 3.960 0.000 0.000 0.288 81 G HA3 0.661 4.621 3.960 0.000 0.000 0.288 81 G C -2.330 172.592 174.900 0.036 0.000 1.399 81 G CA -0.318 44.800 45.100 0.030 0.000 0.859 81 G HN 0.834 nan 8.290 nan 0.000 0.479 82 D N -1.966 118.453 120.400 0.031 0.000 2.683 82 D HA 0.493 5.134 4.640 0.000 0.000 0.246 82 D C -0.823 175.482 176.300 0.010 0.000 1.238 82 D CA -0.055 53.962 54.000 0.029 0.000 0.759 82 D CB 1.937 42.777 40.800 0.066 0.000 1.349 82 D HN 0.895 nan 8.370 nan 0.000 0.426 83 V N -1.035 118.875 119.914 -0.006 0.000 2.962 83 V HA 1.098 5.219 4.120 0.000 0.000 0.313 83 V C -0.698 175.383 176.094 -0.022 0.000 1.099 83 V CA -0.463 61.827 62.300 -0.017 0.000 0.971 83 V CB 1.125 32.931 31.823 -0.030 0.000 1.028 83 V HN 0.950 nan 8.190 nan 0.000 0.430 84 A N 3.142 125.950 122.820 -0.021 0.000 2.594 84 A HA 0.976 5.296 4.320 0.000 0.000 0.291 84 A C -0.881 176.691 177.584 -0.020 0.000 1.105 84 A CA -0.667 51.357 52.037 -0.022 0.000 0.694 84 A CB 2.094 21.084 19.000 -0.017 0.000 1.291 84 A HN 1.284 nan 8.150 nan 0.000 0.410 85 M N -0.053 119.536 119.600 -0.019 0.000 2.861 85 M HA 0.835 5.315 4.480 0.000 0.000 0.294 85 M C -1.017 175.277 176.300 -0.010 0.000 1.185 85 M CA -0.100 55.191 55.300 -0.015 0.000 0.809 85 M CB 1.853 34.444 32.600 -0.015 0.000 1.722 85 M HN 0.772 nan 8.290 nan 0.000 0.496 86 E N -0.122 120.073 120.200 -0.007 0.000 2.716 86 E HA 0.210 4.560 4.350 0.000 0.000 0.379 86 E C -1.684 174.916 176.600 -0.001 0.000 0.969 86 E CA -0.042 56.356 56.400 -0.004 0.000 0.735 86 E CB 0.584 30.282 29.700 -0.003 0.000 1.498 86 E HN 0.661 nan 8.360 nan 0.000 0.395 87 T N 4.900 119.455 114.554 0.001 0.000 2.871 87 T HA 0.157 4.507 4.350 0.000 0.000 0.296 87 T C 1.238 175.941 174.700 0.005 0.000 0.998 87 T CA 0.396 62.499 62.100 0.005 0.000 1.162 87 T CB 0.020 68.893 68.868 0.008 0.000 0.947 87 T HN 0.536 nan 8.240 nan 0.000 0.536 88 I N 0.588 121.161 120.570 0.005 0.000 3.936 88 I HA 0.349 4.520 4.170 0.000 0.000 0.330 88 I C 0.329 176.449 176.117 0.006 0.000 1.509 88 I CA -0.657 60.646 61.300 0.005 0.000 1.126 88 I CB 0.212 38.214 38.000 0.003 0.000 1.115 88 I HN 0.594 nan 8.210 nan 0.000 0.424 89 T N -1.590 112.969 114.554 0.008 0.000 2.821 89 T HA 0.659 5.009 4.350 0.000 0.000 0.306 89 T C -0.801 173.906 174.700 0.012 0.000 1.313 89 T CA -0.588 61.517 62.100 0.008 0.000 1.012 89 T CB 2.797 71.669 68.868 0.007 0.000 1.298 89 T HN 0.519 nan 8.240 nan 0.000 0.502 90 E N -0.131 120.076 120.200 0.011 0.000 2.446 90 E HA 0.752 5.102 4.350 0.000 0.000 0.269 90 E C -1.574 175.032 176.600 0.011 0.000 0.977 90 E CA -1.280 55.128 56.400 0.014 0.000 0.854 90 E CB 1.903 31.611 29.700 0.013 0.000 1.545 90 E HN 0.605 nan 8.360 nan 0.000 0.448 91 T N 0.854 115.415 114.554 0.012 0.000 3.293 91 T HA 0.401 4.751 4.350 0.000 0.000 0.320 91 T C -0.964 173.741 174.700 0.008 0.000 0.995 91 T CA -0.515 61.589 62.100 0.006 0.000 1.041 91 T CB 0.334 69.203 68.868 0.001 0.000 1.058 91 T HN 0.375 nan 8.240 nan 0.000 0.453 92 I N 3.194 123.768 120.570 0.007 0.000 2.377 92 I HA 0.502 4.672 4.170 0.000 0.000 0.293 92 I C -0.176 175.946 176.117 0.008 0.000 0.987 92 I CA -0.740 60.565 61.300 0.009 0.000 1.185 92 I CB 1.497 39.503 38.000 0.010 0.000 1.341 92 I HN 0.556 nan 8.210 nan 0.000 0.455 93 I N 5.567 126.143 120.570 0.009 0.000 2.306 93 I HA 0.244 4.415 4.170 0.000 0.000 0.288 93 I C 0.282 176.408 176.117 0.016 0.000 1.036 93 I CA -0.382 60.924 61.300 0.010 0.000 1.221 93 I CB 0.796 38.800 38.000 0.007 0.000 1.385 93 I HN 0.611 nan 8.210 nan 0.000 0.472 94 T N 1.448 116.012 114.554 0.016 0.000 2.875 94 T HA 0.365 4.715 4.350 0.000 0.000 0.284 94 T C 0.441 175.152 174.700 0.018 0.000 0.995 94 T CA -0.407 61.703 62.100 0.017 0.000 1.060 94 T CB 1.656 70.532 68.868 0.013 0.000 0.967 94 T HN 0.757 nan 8.240 nan 0.000 0.476 95 E N 0.505 120.716 120.200 0.019 0.000 3.801 95 E HA -0.225 4.125 4.350 0.000 0.000 0.319 95 E C 0.019 176.633 176.600 0.023 0.000 0.784 95 E CA 0.623 57.034 56.400 0.018 0.000 1.183 95 E CB -2.012 27.695 29.700 0.013 0.000 1.601 95 E HN 0.975 nan 8.360 nan 0.000 0.441 96 S N -0.988 114.728 115.700 0.027 0.000 3.706 96 S HA -0.235 4.235 4.470 0.000 0.000 0.363 96 S C 0.804 175.422 174.600 0.031 0.000 0.999 96 S CA 1.240 59.459 58.200 0.031 0.000 1.143 96 S CB -1.256 61.967 63.200 0.039 0.000 0.902 96 S HN 0.568 nan 8.310 nan 0.000 0.476 97 T N -0.004 114.569 114.554 0.031 0.000 3.081 97 T HA 0.377 4.728 4.350 0.000 0.000 0.255 97 T C 0.383 175.117 174.700 0.057 0.000 1.113 97 T CA 0.875 63.000 62.100 0.042 0.000 1.082 97 T CB -0.171 68.722 68.868 0.041 0.000 0.939 97 T HN 0.677 nan 8.240 nan 0.000 0.506 98 M N 0.731 120.356 119.600 0.041 0.000 2.421 98 M HA 0.470 4.950 4.480 0.000 0.000 0.287 98 M C -2.223 174.091 176.300 0.023 0.000 1.183 98 M CA -0.811 54.514 55.300 0.041 0.000 0.916 98 M CB 2.076 34.696 32.600 0.034 0.000 1.701 98 M HN -0.157 nan 8.290 nan 0.000 0.470 99 I N 2.654 123.241 120.570 0.028 0.000 2.392 99 I HA 0.592 4.762 4.170 0.000 0.000 0.295 99 I C 0.712 176.868 176.117 0.064 0.000 0.985 99 I CA -0.508 60.803 61.300 0.019 0.000 1.221 99 I CB 2.017 40.023 38.000 0.010 0.000 1.366 99 I HN 1.038 nan 8.210 nan 0.000 0.467 100 G N 4.025 112.880 108.800 0.092 0.000 5.253 100 G HA2 0.026 3.987 3.960 0.000 0.000 0.238 100 G HA3 0.026 3.987 3.960 0.000 0.000 0.238 100 G C 0.582 175.556 174.900 0.123 0.000 0.867 100 G CA -0.228 44.925 45.100 0.087 0.000 0.717 100 G HN 0.790 nan 8.290 nan 0.000 0.405 101 H N -0.391 118.660 119.070 -0.032 0.000 2.553 101 H HA 0.127 4.683 4.556 0.000 0.000 0.265 101 H C 0.747 176.062 175.328 -0.021 0.000 0.964 101 H CA -0.138 55.893 56.048 -0.029 0.000 1.156 101 H CB -0.277 29.480 29.762 -0.008 0.000 1.411 101 H HN 0.312 nan 8.280 nan 0.000 0.558 102 N N 1.592 120.078 118.700 -0.356 0.000 2.648 102 N HA -0.105 4.636 4.740 0.000 0.000 0.265 102 N C -2.551 172.748 175.510 -0.351 0.000 1.100 102 N CA 0.462 53.343 53.050 -0.282 0.000 0.715 102 N CB -0.404 37.999 38.487 -0.139 0.000 0.881 102 N HN 0.378 nan 8.380 nan 0.000 0.548 103 P HA 0.075 nan 4.420 nan 0.000 0.272 103 P C 0.273 177.487 177.300 -0.144 0.000 1.223 103 P CA -0.294 62.621 63.100 -0.308 0.000 0.784 103 P CB 0.869 32.401 31.700 -0.280 0.000 0.923 104 K N 0.661 121.013 120.400 -0.080 0.000 2.147 104 K HA -0.031 4.289 4.320 0.000 0.000 0.205 104 K C 1.195 177.771 176.600 -0.039 0.000 1.049 104 K CA 1.588 57.846 56.287 -0.047 0.000 0.936 104 K CB -1.074 31.411 32.500 -0.024 0.000 0.722 104 K HN 0.633 nan 8.250 nan 0.000 0.446 105 T N -0.597 113.935 114.554 -0.037 0.000 3.316 105 T HA 0.327 4.678 4.350 0.000 0.000 0.253 105 T C -2.701 171.985 174.700 -0.023 0.000 0.995 105 T CA -1.932 60.153 62.100 -0.027 0.000 1.031 105 T CB 0.601 69.456 68.868 -0.022 0.000 1.125 105 T HN -0.164 nan 8.240 nan 0.000 0.539 106 P HA 0.311 nan 4.420 nan 0.000 0.269 106 P C 0.656 177.952 177.300 -0.007 0.000 1.211 106 P CA 0.213 63.303 63.100 -0.017 0.000 0.781 106 P CB 0.345 32.030 31.700 -0.025 0.000 0.877 107 G N 0.016 108.819 108.800 0.004 0.000 2.400 107 G HA2 0.546 4.506 3.960 0.000 0.000 0.333 107 G HA3 0.546 4.506 3.960 0.000 0.000 0.333 107 G C 0.174 175.079 174.900 0.008 0.000 1.143 107 G CA -0.014 45.089 45.100 0.006 0.000 0.914 107 G HN 0.794 nan 8.290 nan 0.000 0.480 108 G N -0.010 108.794 108.800 0.007 0.000 2.598 108 G HA2 0.400 4.360 3.960 0.000 0.000 0.269 108 G HA3 0.400 4.360 3.960 0.000 0.000 0.269 108 G C 0.229 175.132 174.900 0.005 0.000 1.289 108 G CA 0.507 45.612 45.100 0.009 0.000 0.926 108 G HN 2.432 nan 8.290 nan 0.000 0.567 109 A N -2.002 120.822 122.820 0.006 0.000 2.597 109 A HA 1.144 5.465 4.320 0.000 0.000 0.292 109 A C 0.557 178.143 177.584 0.004 0.000 1.057 109 A CA 1.155 53.194 52.037 0.003 0.000 0.674 109 A CB 1.017 20.017 19.000 -0.000 0.000 1.278 109 A HN 3.247 nan 8.150 nan 0.000 0.416 110 G N -1.155 107.646 108.800 0.002 0.000 2.347 110 G HA2 0.545 4.505 3.960 0.000 0.000 0.477 110 G HA3 0.545 4.505 3.960 0.000 0.000 0.477 110 G C -1.882 173.018 174.900 -0.000 0.000 1.349 110 G CA -0.155 44.946 45.100 0.001 0.000 1.000 110 G HN 2.033 nan 8.290 nan 0.000 0.605 111 L N 0.620 121.841 121.223 -0.003 0.000 2.322 111 L HA 0.924 5.264 4.340 0.000 0.000 0.279 111 L C 0.602 177.473 176.870 0.001 0.000 1.036 111 L CA 0.319 55.155 54.840 -0.006 0.000 0.807 111 L CB 1.683 43.732 42.059 -0.017 0.000 1.226 111 L HN 1.560 nan 8.230 nan 0.000 0.433 112 G N 2.064 110.867 108.800 0.006 0.000 2.687 112 G HA2 0.579 4.539 3.960 0.000 0.000 0.301 112 G HA3 0.579 4.539 3.960 0.000 0.000 0.301 112 G C -1.304 173.614 174.900 0.029 0.000 1.416 112 G CA -0.382 44.730 45.100 0.019 0.000 1.005 112 G HN 0.564 nan 8.290 nan 0.000 0.509 113 T N 0.505 115.082 114.554 0.038 0.000 2.823 113 T HA 0.843 5.193 4.350 0.000 0.000 0.279 113 T C 0.337 175.081 174.700 0.073 0.000 0.998 113 T CA 0.021 62.167 62.100 0.077 0.000 0.994 113 T CB 1.790 70.709 68.868 0.084 0.000 0.960 113 T HN 1.118 nan 8.240 nan 0.000 0.448 114 G N 1.376 110.239 108.800 0.105 0.000 2.606 114 G HA2 0.657 4.618 3.960 0.000 0.000 0.300 114 G HA3 0.657 4.618 3.960 0.000 0.000 0.300 114 G C -1.697 173.271 174.900 0.113 0.000 1.360 114 G CA -0.811 44.337 45.100 0.080 0.000 0.783 114 G HN 0.712 nan 8.290 nan 0.000 0.484 115 I N 0.838 121.508 120.570 0.167 0.000 2.460 115 I HA 0.298 4.468 4.170 0.000 0.000 0.298 115 I C 0.423 176.674 176.117 0.224 0.000 0.989 115 I CA -0.774 60.658 61.300 0.220 0.000 1.173 115 I CB 2.172 40.373 38.000 0.335 0.000 1.338 115 I HN 0.464 nan 8.210 nan 0.000 0.456 116 T N 5.209 119.835 114.554 0.120 0.000 3.781 116 T HA 0.422 4.772 4.350 0.000 0.000 0.286 116 T C -0.047 174.666 174.700 0.021 0.000 1.277 116 T CA -0.461 61.682 62.100 0.071 0.000 1.136 116 T CB -1.129 67.769 68.868 0.050 0.000 1.202 116 T HN 0.466 nan 8.240 nan 0.000 0.884 117 I N -0.607 119.954 120.570 -0.015 0.000 2.822 117 I HA 0.762 4.932 4.170 0.000 0.000 0.312 117 I C 0.392 176.445 176.117 -0.106 0.000 1.011 117 I CA -1.094 60.133 61.300 -0.121 0.000 1.105 117 I CB 1.928 39.722 38.000 -0.343 0.000 1.291 117 I HN 0.343 nan 8.210 nan 0.000 0.474 118 T N -0.388 114.097 114.554 -0.116 0.000 2.897 118 T HA 0.487 4.837 4.350 0.000 0.000 0.278 118 T C -1.789 172.809 174.700 -0.169 0.000 0.981 118 T CA -1.740 60.299 62.100 -0.101 0.000 0.973 118 T CB 1.110 69.959 68.868 -0.032 0.000 1.092 118 T HN 0.580 nan 8.240 nan 0.000 0.543 119 P HA -0.089 nan 4.420 nan 0.000 0.226 119 P C 1.433 178.628 177.300 -0.176 0.000 1.153 119 P CA 0.881 63.806 63.100 -0.291 0.000 0.777 119 P CB 0.093 31.426 31.700 -0.611 0.000 0.794 120 Q N 0.820 120.571 119.800 -0.082 0.000 2.062 120 Q HA -0.089 4.251 4.340 0.000 0.000 0.196 120 Q C 1.740 177.677 176.000 -0.104 0.000 0.967 120 Q CA 1.193 56.968 55.803 -0.047 0.000 0.832 120 Q CB -1.170 27.578 28.738 0.016 0.000 0.899 120 Q HN 0.302 nan 8.270 nan 0.000 0.442 121 E N 1.114 121.236 120.200 -0.130 0.000 2.448 121 E HA -0.109 4.241 4.350 0.000 0.000 0.203 121 E C 2.021 178.467 176.600 -0.257 0.000 1.046 121 E CA 0.317 56.611 56.400 -0.177 0.000 0.871 121 E CB -0.219 29.354 29.700 -0.210 0.000 0.790 121 E HN 0.304 nan 8.360 nan 0.000 0.545 122 L N -0.012 121.046 121.223 -0.275 0.000 2.017 122 L HA -0.232 4.109 4.340 0.000 0.000 0.208 122 L C 2.026 178.690 176.870 -0.343 0.000 1.073 122 L CA 0.839 55.446 54.840 -0.387 0.000 0.745 122 L CB -0.082 41.773 42.059 -0.341 0.000 0.894 122 L HN 0.215 nan 8.230 nan 0.000 0.432 123 L N -0.741 120.370 121.223 -0.188 0.000 2.156 123 L HA -0.152 4.189 4.340 0.000 0.000 0.208 123 L C 2.725 179.572 176.870 -0.039 0.000 1.095 123 L CA 2.152 56.936 54.840 -0.094 0.000 0.770 123 L CB -1.123 40.904 42.059 -0.052 0.000 0.914 123 L HN 0.424 nan 8.230 nan 0.000 0.439 124 T N -3.161 111.359 114.554 -0.058 0.000 3.014 124 T HA -0.028 4.322 4.350 0.000 0.000 0.263 124 T C 1.328 176.033 174.700 0.008 0.000 1.078 124 T CA -0.064 62.024 62.100 -0.020 0.000 1.135 124 T CB 0.098 68.946 68.868 -0.034 0.000 0.895 124 T HN 0.021 nan 8.240 nan 0.000 0.480 125 R N 2.417 122.903 120.500 -0.024 0.000 2.500 125 R HA 0.486 4.826 4.340 0.000 0.000 0.277 125 R C -2.435 174.021 176.300 0.260 0.000 1.026 125 R CA -2.249 53.868 56.100 0.028 0.000 1.058 125 R CB 0.659 30.837 30.300 -0.204 0.000 1.078 125 R HN 0.205 nan 8.270 nan 0.000 0.509 126 P HA 0.030 nan 4.420 nan 0.000 0.270 126 P C -0.940 176.643 177.300 0.471 0.000 1.223 126 P CA 0.056 63.340 63.100 0.306 0.000 0.785 126 P CB 0.971 32.790 31.700 0.198 0.000 0.923 127 A N 0.763 123.642 122.820 0.099 0.000 2.460 127 A HA 0.080 4.400 4.320 0.000 0.000 0.258 127 A C 1.173 178.683 177.584 -0.122 0.000 1.300 127 A CA 0.181 52.049 52.037 -0.281 0.000 0.913 127 A CB -0.579 17.793 19.000 -1.048 0.000 1.031 127 A HN 0.530 nan 8.150 nan 0.000 0.512 128 D N -0.372 120.010 120.400 -0.030 0.000 2.503 128 D HA 0.370 5.010 4.640 0.000 0.000 0.218 128 D C 0.222 176.461 176.300 -0.102 0.000 1.183 128 D CA 0.363 54.322 54.000 -0.067 0.000 0.827 128 D CB 0.724 41.494 40.800 -0.049 0.000 1.034 128 D HN 0.369 nan 8.370 nan 0.000 0.510 129 A N 1.778 124.487 122.820 -0.184 0.000 2.337 129 A HA 0.640 4.960 4.320 0.000 0.000 0.329 129 A C -2.648 174.505 177.584 -0.718 0.000 1.146 129 A CA -1.271 50.541 52.037 -0.375 0.000 0.800 129 A CB 1.513 20.310 19.000 -0.338 0.000 1.220 129 A HN -0.074 nan 8.150 nan 0.000 0.472 130 P HA 0.430 nan 4.420 nan 0.000 0.285 130 P C -1.497 175.543 177.300 -0.433 0.000 1.259 130 P CA 0.188 63.067 63.100 -0.367 0.000 0.794 130 P CB 0.477 32.091 31.700 -0.143 0.000 0.940 131 Y N 0.969 121.301 120.300 0.052 0.000 2.524 131 Y HA 0.514 5.064 4.550 0.000 0.000 0.344 131 Y C 0.650 176.565 175.900 0.025 0.000 1.012 131 Y CA -1.217 56.903 58.100 0.034 0.000 1.068 131 Y CB 2.010 40.481 38.460 0.018 0.000 1.249 131 Y HN 0.113 nan 8.280 nan 0.000 0.468 132 I N 3.660 124.350 120.570 0.200 0.000 2.307 132 I HA 0.181 4.352 4.170 0.000 0.000 0.289 132 I C -0.449 175.712 176.117 0.074 0.000 1.021 132 I CA -0.293 61.076 61.300 0.114 0.000 1.224 132 I CB 0.595 38.653 38.000 0.096 0.000 1.376 132 I HN 0.387 nan 8.210 nan 0.000 0.470 133 L N 6.769 128.016 121.223 0.039 0.000 2.485 133 L HA 0.134 4.474 4.340 0.000 0.000 0.275 133 L C -0.073 176.784 176.870 -0.022 0.000 1.207 133 L CA 0.092 54.918 54.840 -0.023 0.000 0.855 133 L CB 1.031 43.058 42.059 -0.054 0.000 1.114 133 L HN 0.375 nan 8.230 nan 0.000 0.485 134 V N 4.481 124.366 119.914 -0.048 0.000 2.384 134 V HA 0.116 4.236 4.120 0.000 0.000 0.257 134 V C 0.199 176.278 176.094 -0.024 0.000 0.969 134 V CA -0.532 61.759 62.300 -0.015 0.000 0.910 134 V CB 1.205 33.033 31.823 0.009 0.000 1.150 134 V HN 0.449 nan 8.190 nan 0.000 0.481 135 V N 2.493 122.370 119.914 -0.062 0.000 2.720 135 V HA 0.103 4.224 4.120 0.000 0.000 0.307 135 V C 0.886 177.077 176.094 0.163 0.000 1.071 135 V CA 0.863 63.142 62.300 -0.035 0.000 1.199 135 V CB 1.112 32.911 31.823 -0.040 0.000 0.900 135 V HN 0.820 nan 8.190 nan 0.000 0.494 136 S N 2.689 118.611 115.700 0.371 0.000 2.718 136 S HA 0.269 4.739 4.470 0.000 0.000 0.300 136 S C 1.201 175.947 174.600 0.244 0.000 1.117 136 S CA -0.501 57.849 58.200 0.250 0.000 1.002 136 S CB 1.717 65.028 63.200 0.186 0.000 1.092 136 S HN 0.788 nan 8.310 nan 0.000 0.542 137 S N 1.519 117.293 115.700 0.124 0.000 2.461 137 S HA -0.183 4.287 4.470 0.000 0.000 0.246 137 S C 2.024 176.643 174.600 0.032 0.000 1.007 137 S CA 1.016 59.269 58.200 0.088 0.000 0.976 137 S CB -0.643 62.589 63.200 0.052 0.000 0.763 137 S HN 0.784 nan 8.310 nan 0.000 0.508 138 A N 0.778 123.562 122.820 -0.060 0.000 1.986 138 A HA 0.001 4.321 4.320 0.000 0.000 0.220 138 A C 0.609 177.942 177.584 -0.417 0.000 1.171 138 A CA 1.040 52.886 52.037 -0.320 0.000 0.640 138 A CB -0.495 18.159 19.000 -0.577 0.000 0.811 138 A HN 0.428 nan 8.150 nan 0.000 0.451 139 F N 0.166 120.120 119.950 0.007 0.000 2.397 139 F HA 0.319 4.846 4.527 0.000 0.000 0.331 139 F C 0.596 176.401 175.800 0.008 0.000 1.090 139 F CA -1.270 56.728 58.000 -0.002 0.000 1.065 139 F CB 0.682 39.679 39.000 -0.005 0.000 1.184 139 F HN 0.125 nan 8.300 nan 0.000 0.499 140 D N 2.505 122.989 120.400 0.140 0.000 2.345 140 D HA -0.038 4.603 4.640 0.000 0.000 0.247 140 D C 1.115 177.431 176.300 0.025 0.000 1.108 140 D CA -0.293 53.738 54.000 0.052 0.000 0.894 140 D CB 0.877 41.636 40.800 -0.070 0.000 1.203 140 D HN 0.552 nan 8.370 nan 0.000 0.430 141 F N 2.989 122.985 119.950 0.076 0.000 2.161 141 F HA -0.089 4.438 4.527 0.000 0.000 0.300 141 F C 1.871 177.697 175.800 0.043 0.000 1.089 141 F CA 1.264 59.299 58.000 0.058 0.000 1.282 141 F CB -0.552 38.474 39.000 0.043 0.000 1.010 141 F HN 0.344 nan 8.300 nan 0.000 0.485 142 A N 0.728 122.701 122.820 -1.411 0.000 1.897 142 A HA -0.115 4.205 4.320 0.000 0.000 0.215 142 A C 1.961 179.338 177.584 -0.344 0.000 1.181 142 A CA 1.650 53.078 52.037 -1.015 0.000 0.620 142 A CB -0.997 17.335 19.000 -1.113 0.000 0.821 142 A HN 0.467 nan 8.150 nan 0.000 0.443 143 D N 0.403 120.645 120.400 -0.263 0.000 2.092 143 D HA -0.143 4.497 4.640 0.000 0.000 0.193 143 D C 1.854 178.111 176.300 -0.072 0.000 0.994 143 D CA 1.150 55.084 54.000 -0.110 0.000 0.828 143 D CB -0.382 40.395 40.800 -0.038 0.000 0.963 143 D HN 0.298 nan 8.370 nan 0.000 0.450 144 I N 1.282 121.818 120.570 -0.057 0.000 2.502 144 I HA -0.219 3.951 4.170 0.000 0.000 0.258 144 I C 2.333 178.426 176.117 -0.040 0.000 1.172 144 I CA 0.592 61.847 61.300 -0.076 0.000 1.430 144 I CB -1.142 36.815 38.000 -0.071 0.000 1.086 144 I HN -0.114 nan 8.210 nan 0.000 0.440 145 A N -0.243 122.571 122.820 -0.010 0.000 1.898 145 A HA -0.152 4.169 4.320 0.000 0.000 0.214 145 A C 2.593 180.177 177.584 0.001 0.000 1.183 145 A CA 1.659 53.709 52.037 0.023 0.000 0.622 145 A CB -0.721 18.325 19.000 0.077 0.000 0.824 145 A HN 0.376 nan 8.150 nan 0.000 0.444 146 S N -0.324 115.363 115.700 -0.020 0.000 2.353 146 S HA -0.168 4.303 4.470 0.000 0.000 0.222 146 S C 1.957 176.547 174.600 -0.016 0.000 1.035 146 S CA 1.801 59.991 58.200 -0.017 0.000 1.025 146 S CB -0.666 62.515 63.200 -0.031 0.000 0.902 146 S HN 0.328 nan 8.310 nan 0.000 0.440 147 V N 2.439 122.333 119.914 -0.033 0.000 2.226 147 V HA -0.296 3.824 4.120 0.000 0.000 0.254 147 V C 2.288 178.365 176.094 -0.029 0.000 1.065 147 V CA 2.586 64.859 62.300 -0.044 0.000 1.039 147 V CB -0.811 30.960 31.823 -0.087 0.000 0.653 147 V HN 0.567 nan 8.190 nan 0.000 0.450 148 I N 0.137 120.693 120.570 -0.025 0.000 2.286 148 I HA -0.208 3.962 4.170 0.000 0.000 0.248 148 I C 2.268 178.396 176.117 0.020 0.000 1.115 148 I CA 1.510 62.808 61.300 -0.003 0.000 1.392 148 I CB -0.590 37.411 38.000 0.002 0.000 1.065 148 I HN 0.367 nan 8.210 nan 0.000 0.418 149 N N 1.059 119.770 118.700 0.018 0.000 2.289 149 N HA -0.097 4.643 4.740 0.000 0.000 0.184 149 N C 1.772 177.301 175.510 0.030 0.000 1.016 149 N CA 1.422 54.487 53.050 0.025 0.000 0.872 149 N CB -0.217 38.283 38.487 0.022 0.000 0.973 149 N HN 0.388 nan 8.380 nan 0.000 0.433 150 A N 0.190 123.026 122.820 0.027 0.000 1.850 150 A HA 0.033 4.353 4.320 0.000 0.000 0.212 150 A C 2.366 179.990 177.584 0.068 0.000 1.208 150 A CA 1.253 53.312 52.037 0.037 0.000 0.609 150 A CB -0.766 18.249 19.000 0.025 0.000 0.860 150 A HN 0.210 nan 8.150 nan 0.000 0.448 151 S N -0.036 115.706 115.700 0.071 0.000 2.407 151 S HA -0.144 4.326 4.470 0.000 0.000 0.235 151 S C 1.777 176.489 174.600 0.187 0.000 1.036 151 S CA 1.409 59.697 58.200 0.148 0.000 1.013 151 S CB -0.273 62.966 63.200 0.065 0.000 0.820 151 S HN 0.362 nan 8.310 nan 0.000 0.476 152 L N 1.111 122.401 121.223 0.111 0.000 2.084 152 L HA 0.188 4.528 4.340 0.000 0.000 0.202 152 L C 2.351 179.259 176.870 0.063 0.000 1.074 152 L CA 1.450 56.344 54.840 0.089 0.000 0.757 152 L CB -1.003 41.093 42.059 0.063 0.000 0.918 152 L HN 0.211 nan 8.230 nan 0.000 0.444 153 R N -0.554 119.977 120.500 0.051 0.000 2.328 153 R HA -0.080 4.260 4.340 0.000 0.000 0.207 153 R C 1.790 178.113 176.300 0.038 0.000 1.056 153 R CA 0.874 56.996 56.100 0.037 0.000 1.016 153 R CB 0.221 30.539 30.300 0.030 0.000 0.872 153 R HN 0.381 nan 8.270 nan 0.000 0.471 154 A N -1.107 121.749 122.820 0.059 0.000 1.859 154 A HA 0.254 4.574 4.320 0.000 0.000 0.212 154 A C 1.651 179.252 177.584 0.029 0.000 1.238 154 A CA 1.184 53.257 52.037 0.060 0.000 0.613 154 A CB -0.077 18.989 19.000 0.110 0.000 0.904 154 A HN 0.446 nan 8.150 nan 0.000 0.457 155 G N -2.970 105.852 108.800 0.037 0.000 4.167 155 G HA2 0.239 4.199 3.960 0.000 0.000 0.201 155 G HA3 0.239 4.199 3.960 0.000 0.000 0.201 155 G C 0.014 174.874 174.900 -0.067 0.000 1.186 155 G CA -0.047 45.013 45.100 -0.067 0.000 0.979 155 G HN 0.233 nan 8.290 nan 0.000 0.460 156 Y N 2.251 122.573 120.300 0.036 0.000 2.741 156 Y HA 0.269 4.819 4.550 0.000 0.000 0.351 156 Y C 1.119 177.041 175.900 0.036 0.000 1.274 156 Y CA 1.067 59.200 58.100 0.055 0.000 1.482 156 Y CB 0.365 38.880 38.460 0.092 0.000 1.357 156 Y HN 0.367 nan 8.280 nan 0.000 0.657 157 Q N 2.080 121.999 119.800 0.198 0.000 2.320 157 Q HA 0.629 4.969 4.340 0.000 0.000 0.268 157 Q C -1.637 174.427 176.000 0.106 0.000 1.023 157 Q CA -0.516 55.347 55.803 0.099 0.000 0.744 157 Q CB 1.097 29.847 28.738 0.020 0.000 1.246 157 Q HN 0.549 nan 8.270 nan 0.000 0.462 158 I N 1.418 122.050 120.570 0.105 0.000 2.339 158 I HA 0.306 4.476 4.170 0.000 0.000 0.290 158 I C 0.727 176.879 176.117 0.059 0.000 0.994 158 I CA -0.953 60.406 61.300 0.097 0.000 1.191 158 I CB 1.708 39.763 38.000 0.091 0.000 1.343 158 I HN 0.762 nan 8.210 nan 0.000 0.458 159 T N 1.032 115.617 114.554 0.052 0.000 3.107 159 T HA 0.454 4.804 4.350 0.000 0.000 0.249 159 T C 0.714 175.438 174.700 0.039 0.000 1.096 159 T CA 0.068 62.190 62.100 0.037 0.000 1.012 159 T CB 0.157 69.043 68.868 0.030 0.000 0.977 159 T HN 1.032 nan 8.240 nan 0.000 0.527 160 G N -0.090 108.738 108.800 0.047 0.000 2.368 160 G HA2 0.423 4.383 3.960 0.000 0.000 0.303 160 G HA3 0.423 4.383 3.960 0.000 0.000 0.303 160 G C -1.655 173.271 174.900 0.042 0.000 1.590 160 G CA -0.702 44.423 45.100 0.041 0.000 0.938 160 G HN 0.253 nan 8.290 nan 0.000 0.675 161 V N 1.188 121.123 119.914 0.036 0.000 2.994 161 V HA 0.791 4.911 4.120 0.000 0.000 0.318 161 V C 0.088 176.204 176.094 0.037 0.000 1.085 161 V CA -0.869 61.449 62.300 0.028 0.000 0.998 161 V CB 1.999 33.836 31.823 0.022 0.000 1.063 161 V HN 0.716 nan 8.190 nan 0.000 0.447 162 I N 3.380 123.969 120.570 0.033 0.000 2.534 162 I HA 0.403 4.573 4.170 0.000 0.000 0.286 162 I C -1.071 175.076 176.117 0.050 0.000 1.094 162 I CA -0.192 61.136 61.300 0.047 0.000 1.055 162 I CB 1.739 39.766 38.000 0.045 0.000 1.225 162 I HN 0.302 nan 8.210 nan 0.000 0.435 163 L N 4.765 126.028 121.223 0.067 0.000 2.334 163 L HA 0.463 4.804 4.340 0.000 0.000 0.270 163 L C 0.925 177.847 176.870 0.087 0.000 1.018 163 L CA -0.468 54.421 54.840 0.082 0.000 0.811 163 L CB 2.192 44.305 42.059 0.090 0.000 1.271 163 L HN 0.659 nan 8.230 nan 0.000 0.443 164 Q N 0.651 120.509 119.800 0.098 0.000 2.259 164 Q HA 0.101 4.441 4.340 0.000 0.000 0.201 164 Q C 0.357 176.412 176.000 0.092 0.000 0.938 164 Q CA 0.184 56.041 55.803 0.090 0.000 0.872 164 Q CB 0.557 29.352 28.738 0.094 0.000 0.971 164 Q HN 0.535 nan 8.270 nan 0.000 0.494 165 R N 0.914 121.473 120.500 0.099 0.000 2.726 165 R HA 0.073 4.413 4.340 0.000 0.000 0.272 165 R C -0.376 175.972 176.300 0.081 0.000 1.097 165 R CA 0.096 56.251 56.100 0.091 0.000 1.198 165 R CB 0.071 30.435 30.300 0.107 0.000 1.114 165 R HN -0.022 nan 8.270 nan 0.000 0.550 166 D N 0.080 120.516 120.400 0.061 0.000 3.057 166 D HA 0.074 4.714 4.640 0.000 0.000 0.246 166 D C -0.659 175.649 176.300 0.013 0.000 1.238 166 D CA -0.127 53.897 54.000 0.040 0.000 0.949 166 D CB -0.001 40.816 40.800 0.029 0.000 1.086 166 D HN 0.328 nan 8.370 nan 0.000 0.487 167 D N 0.178 120.596 120.400 0.029 0.000 2.479 167 D HA 0.159 4.799 4.640 0.000 0.000 0.218 167 D C 2.041 178.339 176.300 -0.004 0.000 1.177 167 D CA -0.053 53.943 54.000 -0.007 0.000 0.830 167 D CB 0.548 41.406 40.800 0.097 0.000 1.014 167 D HN 0.433 nan 8.370 nan 0.000 0.503 168 G N 0.828 109.636 108.800 0.014 0.000 2.459 168 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 168 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 168 G C 1.684 176.584 174.900 0.001 0.000 1.183 168 G CA 0.873 45.986 45.100 0.022 0.000 0.776 168 G HN 0.256 nan 8.290 nan 0.000 0.552 169 V N 1.102 121.001 119.914 -0.026 0.000 2.295 169 V HA -0.168 3.952 4.120 0.000 0.000 0.246 169 V C 2.947 179.009 176.094 -0.054 0.000 1.049 169 V CA 1.671 63.950 62.300 -0.035 0.000 1.024 169 V CB -0.605 31.189 31.823 -0.048 0.000 0.648 169 V HN 0.344 nan 8.190 nan 0.000 0.447 170 L N -0.414 120.733 121.223 -0.125 0.000 2.013 170 L HA -0.196 4.145 4.340 0.000 0.000 0.212 170 L C 2.482 179.338 176.870 -0.023 0.000 1.073 170 L CA 1.360 56.060 54.840 -0.234 0.000 0.753 170 L CB -0.861 40.796 42.059 -0.671 0.000 0.890 170 L HN 0.180 nan 8.230 nan 0.000 0.432 171 V N -0.978 118.982 119.914 0.076 0.000 2.220 171 V HA -0.361 3.760 4.120 0.000 0.000 0.246 171 V C 2.676 178.824 176.094 0.089 0.000 1.049 171 V CA 2.193 64.586 62.300 0.154 0.000 1.003 171 V CB -0.696 31.200 31.823 0.121 0.000 0.634 171 V HN 0.498 nan 8.190 nan 0.000 0.444 172 S N 0.461 116.190 115.700 0.049 0.000 2.380 172 S HA -0.278 4.193 4.470 0.000 0.000 0.229 172 S C 1.819 176.440 174.600 0.034 0.000 1.043 172 S CA 2.050 60.270 58.200 0.035 0.000 1.038 172 S CB -0.662 62.549 63.200 0.020 0.000 0.872 172 S HN 0.690 nan 8.310 nan 0.000 0.456 173 N N 0.735 119.451 118.700 0.028 0.000 2.430 173 N HA -0.052 4.689 4.740 0.000 0.000 0.186 173 N C 1.489 177.029 175.510 0.049 0.000 1.032 173 N CA 0.833 53.899 53.050 0.027 0.000 0.893 173 N CB -0.256 38.236 38.487 0.009 0.000 0.957 173 N HN 0.526 nan 8.380 nan 0.000 0.442 174 R N -0.515 120.028 120.500 0.072 0.000 2.404 174 R HA 0.302 4.642 4.340 0.000 0.000 0.237 174 R C 0.244 176.580 176.300 0.061 0.000 0.907 174 R CA -0.179 55.971 56.100 0.084 0.000 1.063 174 R CB 0.576 30.960 30.300 0.139 0.000 1.134 174 R HN 0.059 nan 8.270 nan 0.000 0.529 175 L N 0.945 122.199 121.223 0.051 0.000 2.436 175 L HA 0.098 4.438 4.340 0.000 0.000 0.265 175 L C 1.668 178.558 176.870 0.032 0.000 1.168 175 L CA -0.020 54.843 54.840 0.039 0.000 0.815 175 L CB 0.846 42.926 42.059 0.036 0.000 1.109 175 L HN 0.074 nan 8.230 nan 0.000 0.462 176 E N 1.967 122.185 120.200 0.029 0.000 2.051 176 E HA -0.070 4.280 4.350 0.000 0.000 0.189 176 E C 0.560 177.173 176.600 0.022 0.000 0.979 176 E CA 1.055 57.470 56.400 0.025 0.000 0.803 176 E CB 0.300 30.014 29.700 0.023 0.000 0.761 176 E HN 0.438 nan 8.360 nan 0.000 0.451 177 K N 1.217 121.631 120.400 0.023 0.000 2.164 177 K HA 0.300 4.620 4.320 0.000 0.000 0.258 177 K C -2.470 174.143 176.600 0.021 0.000 0.951 177 K CA -2.814 53.485 56.287 0.020 0.000 0.844 177 K CB 1.185 33.697 32.500 0.020 0.000 1.099 177 K HN 0.032 nan 8.250 nan 0.000 0.435 178 P HA 0.159 nan 4.420 nan 0.000 0.276 178 P C -1.026 176.285 177.300 0.018 0.000 1.230 178 P CA -0.117 62.994 63.100 0.018 0.000 0.776 178 P CB 0.797 32.505 31.700 0.013 0.000 0.888 179 L N 4.305 125.540 121.223 0.020 0.000 2.445 179 L HA 0.428 4.769 4.340 0.000 0.000 0.262 179 L C -2.432 174.450 176.870 0.021 0.000 0.974 179 L CA -2.700 52.153 54.840 0.021 0.000 0.822 179 L CB 3.162 45.237 42.059 0.026 0.000 1.339 179 L HN 0.196 nan 8.230 nan 0.000 0.409 180 P HA 0.136 nan 4.420 nan 0.000 0.267 180 P C -1.032 176.283 177.300 0.026 0.000 1.209 180 P CA 0.396 63.507 63.100 0.019 0.000 0.763 180 P CB 0.419 32.130 31.700 0.017 0.000 0.816 181 I N 3.505 124.091 120.570 0.027 0.000 2.439 181 I HA 0.200 4.370 4.170 0.000 0.000 0.283 181 I C -0.040 176.101 176.117 0.041 0.000 1.023 181 I CA -1.194 60.127 61.300 0.036 0.000 1.100 181 I CB 2.253 40.274 38.000 0.036 0.000 1.238 181 I HN -0.031 nan 8.210 nan 0.000 0.445 182 V N 5.868 125.817 119.914 0.058 0.000 2.339 182 V HA 0.088 4.209 4.120 0.000 0.000 0.261 182 V C 0.013 176.174 176.094 0.112 0.000 1.058 182 V CA -0.370 61.983 62.300 0.088 0.000 0.897 182 V CB 0.360 32.254 31.823 0.119 0.000 1.052 182 V HN 0.795 nan 8.190 nan 0.000 0.480 183 D N 2.747 123.209 120.400 0.102 0.000 2.506 183 D HA 0.321 4.961 4.640 0.000 0.000 0.272 183 D C 0.401 176.817 176.300 0.193 0.000 1.214 183 D CA -0.756 53.313 54.000 0.114 0.000 1.067 183 D CB 0.299 41.144 40.800 0.074 0.000 1.117 183 D HN 0.476 nan 8.370 nan 0.000 0.578 184 E N -2.273 118.021 120.200 0.157 0.000 2.722 184 E HA -0.152 4.198 4.350 0.000 0.000 0.265 184 E C -0.726 175.976 176.600 0.169 0.000 1.081 184 E CA 0.154 56.664 56.400 0.184 0.000 0.781 184 E CB -1.283 28.540 29.700 0.205 0.000 1.372 184 E HN 0.273 nan 8.360 nan 0.000 0.423 185 V N 1.343 121.294 119.914 0.062 0.000 2.555 185 V HA 0.030 4.151 4.120 0.000 0.000 0.286 185 V C 1.468 177.553 176.094 -0.016 0.000 1.044 185 V CA 0.239 62.473 62.300 -0.111 0.000 1.026 185 V CB 1.389 33.169 31.823 -0.070 0.000 0.981 185 V HN 0.266 nan 8.190 nan 0.000 0.480 186 L N 4.094 125.295 121.223 -0.036 0.000 2.194 186 L HA 0.167 4.507 4.340 0.000 0.000 0.197 186 L C 0.872 177.901 176.870 0.266 0.000 1.106 186 L CA 0.622 55.513 54.840 0.086 0.000 0.785 186 L CB 0.052 42.118 42.059 0.012 0.000 0.960 186 L HN 0.560 nan 8.230 nan 0.000 0.465 187 Y N 1.524 121.809 120.300 -0.026 0.000 2.990 187 Y HA -0.080 4.470 4.550 0.000 0.000 0.360 187 Y C 1.428 177.320 175.900 -0.014 0.000 1.130 187 Y CA -0.480 57.611 58.100 -0.016 0.000 2.047 187 Y CB -1.286 37.164 38.460 -0.017 0.000 2.189 187 Y HN 0.248 nan 8.280 nan 0.000 0.406 188 I N 1.530 122.184 120.570 0.140 0.000 2.151 188 I HA -0.326 3.844 4.170 0.000 0.000 0.243 188 I C 2.034 178.192 176.117 0.069 0.000 1.080 188 I CA 2.072 63.424 61.300 0.086 0.000 1.339 188 I CB -0.180 37.869 38.000 0.082 0.000 1.039 188 I HN 0.433 nan 8.210 nan 0.000 0.409 189 D N -0.278 120.155 120.400 0.054 0.000 2.224 189 D HA -0.234 4.406 4.640 0.000 0.000 0.205 189 D C 2.205 178.524 176.300 0.033 0.000 0.965 189 D CA 0.903 54.924 54.000 0.035 0.000 0.852 189 D CB -0.888 39.919 40.800 0.011 0.000 0.947 189 D HN 0.381 nan 8.370 nan 0.000 0.494 190 R N 0.120 120.648 120.500 0.047 0.000 2.341 190 R HA 0.051 4.391 4.340 0.000 0.000 0.213 190 R C 0.332 176.660 176.300 0.047 0.000 1.082 190 R CA 0.027 56.157 56.100 0.051 0.000 1.017 190 R CB -0.388 29.972 30.300 0.099 0.000 0.860 190 R HN 0.248 nan 8.270 nan 0.000 0.473 191 I N 4.184 124.781 120.570 0.044 0.000 2.581 191 I HA 0.041 4.211 4.170 0.000 0.000 0.285 191 I C -1.839 174.295 176.117 0.028 0.000 1.129 191 I CA -1.684 59.638 61.300 0.037 0.000 1.397 191 I CB 0.630 38.652 38.000 0.037 0.000 1.399 191 I HN -0.055 nan 8.210 nan 0.000 0.537 192 P HA 0.110 nan 4.420 nan 0.000 0.266 192 P C -0.753 176.556 177.300 0.014 0.000 1.215 192 P CA -0.141 62.968 63.100 0.015 0.000 0.763 192 P CB 0.531 32.237 31.700 0.010 0.000 0.806 193 L N 2.137 123.366 121.223 0.009 0.000 2.469 193 L HA 0.588 4.928 4.340 0.000 0.000 0.253 193 L C 1.978 178.852 176.870 0.007 0.000 1.143 193 L CA 0.395 55.239 54.840 0.008 0.000 0.804 193 L CB -0.703 41.355 42.059 -0.002 0.000 1.214 193 L HN 0.675 nan 8.230 nan 0.000 0.476 194 G N -0.591 108.216 108.800 0.012 0.000 2.196 194 G HA2 -0.310 3.651 3.960 0.000 0.000 0.268 194 G HA3 -0.310 3.651 3.960 0.000 0.000 0.268 194 G C 0.270 175.188 174.900 0.029 0.000 0.975 194 G CA 0.758 45.872 45.100 0.024 0.000 0.648 194 G HN 0.401 nan 8.290 nan 0.000 0.538 195 M N -0.442 119.168 119.600 0.017 0.000 2.513 195 M HA 0.584 5.064 4.480 0.000 0.000 0.291 195 M C 0.637 176.932 176.300 -0.009 0.000 1.190 195 M CA -0.817 54.475 55.300 -0.013 0.000 0.960 195 M CB 1.253 33.833 32.600 -0.033 0.000 1.517 195 M HN 0.023 nan 8.290 nan 0.000 0.499 196 L N 1.401 122.571 121.223 -0.088 0.000 2.331 196 L HA 0.648 4.989 4.340 0.000 0.000 0.278 196 L C -0.659 176.188 176.870 -0.037 0.000 1.106 196 L CA -0.197 54.588 54.840 -0.092 0.000 0.824 196 L CB 0.867 42.771 42.059 -0.258 0.000 1.142 196 L HN 0.858 nan 8.230 nan 0.000 0.443 197 A N 3.943 126.877 122.820 0.190 0.000 2.587 197 A HA 0.879 5.199 4.320 0.000 0.000 0.293 197 A C -1.378 176.407 177.584 0.335 0.000 1.087 197 A CA -0.316 51.924 52.037 0.338 0.000 0.692 197 A CB 1.796 20.905 19.000 0.182 0.000 1.291 197 A HN 0.803 nan 8.150 nan 0.000 0.407 198 A N 0.759 123.723 122.820 0.239 0.000 2.413 198 A HA 0.830 5.150 4.320 0.000 0.000 0.307 198 A C -0.980 176.626 177.584 0.036 0.000 1.087 198 A CA -0.477 51.594 52.037 0.058 0.000 0.750 198 A CB 1.247 20.165 19.000 -0.137 0.000 1.296 198 A HN 1.539 nan 8.150 nan 0.000 0.423 199 I N 1.549 122.132 120.570 0.021 0.000 2.529 199 I HA 0.380 4.551 4.170 0.000 0.000 0.284 199 I C -0.983 175.139 176.117 0.008 0.000 1.088 199 I CA 0.021 61.335 61.300 0.024 0.000 1.062 199 I CB 1.296 39.321 38.000 0.043 0.000 1.218 199 I HN 0.946 nan 8.210 nan 0.000 0.442 200 E N 6.281 126.479 120.200 -0.003 0.000 2.183 200 E HA 0.671 5.021 4.350 0.000 0.000 0.271 200 E C -1.828 174.770 176.600 -0.004 0.000 0.919 200 E CA -0.624 55.771 56.400 -0.009 0.000 0.781 200 E CB 2.281 31.967 29.700 -0.024 0.000 1.140 200 E HN 0.430 nan 8.360 nan 0.000 0.402 201 V N 3.279 123.191 119.914 -0.004 0.000 2.532 201 V HA 0.473 4.593 4.120 0.000 0.000 0.294 201 V C -0.362 175.727 176.094 -0.008 0.000 1.036 201 V CA -0.641 61.656 62.300 -0.006 0.000 0.876 201 V CB 1.377 33.201 31.823 0.001 0.000 1.012 201 V HN 0.853 nan 8.190 nan 0.000 0.432 202 A N 4.632 127.444 122.820 -0.013 0.000 2.322 202 A HA 0.775 5.095 4.320 0.000 0.000 0.269 202 A C 0.251 177.828 177.584 -0.011 0.000 1.094 202 A CA -0.404 51.626 52.037 -0.012 0.000 0.807 202 A CB 0.833 19.824 19.000 -0.015 0.000 1.047 202 A HN 1.190 nan 8.150 nan 0.000 0.487 203 V N 0.452 120.361 119.914 -0.009 0.000 3.032 203 V HA 0.196 4.317 4.120 0.000 0.000 0.307 203 V C -2.018 174.071 176.094 -0.009 0.000 1.097 203 V CA -1.339 60.956 62.300 -0.007 0.000 1.191 203 V CB -0.558 31.262 31.823 -0.005 0.000 0.964 203 V HN 0.834 nan 8.190 nan 0.000 0.494 204 P HA 0.259 nan 4.420 nan 0.000 0.268 204 P C 0.894 178.189 177.300 -0.009 0.000 1.204 204 P CA 1.377 64.471 63.100 -0.010 0.000 0.768 204 P CB 1.006 32.701 31.700 -0.009 0.000 0.842 205 G N 3.017 111.811 108.800 -0.010 0.000 2.475 205 G HA2 -0.195 3.765 3.960 0.000 0.000 0.209 205 G HA3 -0.195 3.765 3.960 0.000 0.000 0.209 205 G C 0.278 175.171 174.900 -0.010 0.000 1.127 205 G CA -0.078 45.017 45.100 -0.009 0.000 0.681 205 G HN 0.583 nan 8.290 nan 0.000 0.517 206 K N 0.373 120.767 120.400 -0.011 0.000 2.627 206 K HA 0.711 5.032 4.320 0.000 0.000 0.269 206 K C 0.249 176.840 176.600 -0.015 0.000 1.029 206 K CA 0.050 56.330 56.287 -0.012 0.000 1.026 206 K CB 1.372 33.866 32.500 -0.010 0.000 1.350 206 K HN 1.051 nan 8.250 nan 0.000 0.506 207 V N -2.076 117.828 119.914 -0.016 0.000 3.114 207 V HA 0.432 4.552 4.120 0.000 0.000 0.308 207 V C -0.221 175.861 176.094 -0.019 0.000 1.168 207 V CA -1.469 60.819 62.300 -0.020 0.000 1.015 207 V CB 1.131 32.941 31.823 -0.021 0.000 1.050 207 V HN 0.743 nan 8.190 nan 0.000 0.433 208 I N 0.770 121.327 120.570 -0.023 0.000 2.775 208 I HA 0.355 4.525 4.170 0.000 0.000 0.290 208 I C 0.848 176.952 176.117 -0.022 0.000 1.203 208 I CA 0.754 62.041 61.300 -0.023 0.000 1.433 208 I CB 0.463 38.447 38.000 -0.026 0.000 1.354 208 I HN 1.012 nan 8.210 nan 0.000 0.579 209 E N 1.651 121.839 120.200 -0.020 0.000 2.601 209 E HA 0.107 4.458 4.350 0.000 0.000 0.219 209 E C 0.626 177.215 176.600 -0.019 0.000 0.964 209 E CA -0.099 56.291 56.400 -0.017 0.000 1.050 209 E CB 0.349 30.042 29.700 -0.011 0.000 1.068 209 E HN 0.781 nan 8.360 nan 0.000 0.496 210 T N 1.118 115.655 114.554 -0.028 0.000 2.988 210 T HA 0.171 4.521 4.350 0.000 0.000 0.240 210 T C 1.660 176.326 174.700 -0.057 0.000 1.014 210 T CA 0.314 62.392 62.100 -0.037 0.000 1.155 210 T CB 0.007 68.848 68.868 -0.045 0.000 0.872 210 T HN 0.059 nan 8.240 nan 0.000 0.440 211 L N 2.195 123.378 121.223 -0.066 0.000 2.478 211 L HA 0.065 4.405 4.340 0.000 0.000 0.223 211 L C 2.257 179.086 176.870 -0.069 0.000 1.140 211 L CA 0.690 55.478 54.840 -0.086 0.000 0.842 211 L CB -0.444 41.568 42.059 -0.077 0.000 0.953 211 L HN 0.346 nan 8.230 nan 0.000 0.452 212 S N -2.076 113.593 115.700 -0.052 0.000 2.556 212 S HA 0.030 4.500 4.470 0.000 0.000 0.216 212 S C 0.725 175.298 174.600 -0.046 0.000 0.970 212 S CA -0.398 57.775 58.200 -0.046 0.000 0.912 212 S CB -0.254 62.924 63.200 -0.036 0.000 0.790 212 S HN 0.329 nan 8.310 nan 0.000 0.504 213 N N 2.849 121.523 118.700 -0.043 0.000 2.437 213 N HA 0.363 5.103 4.740 0.000 0.000 0.259 213 N C -1.753 173.710 175.510 -0.078 0.000 0.983 213 N CA -2.494 50.537 53.050 -0.031 0.000 0.937 213 N CB 1.747 40.248 38.487 0.022 0.000 1.122 213 N HN -0.090 nan 8.380 nan 0.000 0.499 214 P HA -0.195 nan 4.420 nan 0.000 0.216 214 P C 0.783 177.947 177.300 -0.226 0.000 1.153 214 P CA 1.617 64.567 63.100 -0.249 0.000 0.858 214 P CB -0.039 31.421 31.700 -0.400 0.000 0.789 215 Y N -0.068 120.216 120.300 -0.026 0.000 2.403 215 Y HA -0.051 4.499 4.550 0.000 0.000 0.291 215 Y C 2.843 178.718 175.900 -0.042 0.000 1.143 215 Y CA 0.773 58.858 58.100 -0.025 0.000 1.257 215 Y CB -1.120 37.329 38.460 -0.018 0.000 0.984 215 Y HN 0.019 nan 8.280 nan 0.000 0.550 216 G N 0.345 109.182 108.800 0.063 0.000 2.394 216 G HA2 -0.188 3.772 3.960 0.000 0.000 0.214 216 G HA3 -0.188 3.772 3.960 0.000 0.000 0.214 216 G C 1.582 176.429 174.900 -0.088 0.000 1.176 216 G CA 0.936 46.032 45.100 -0.008 0.000 0.786 216 G HN 0.340 nan 8.290 nan 0.000 0.533 217 I N 1.624 122.111 120.570 -0.138 0.000 2.076 217 I HA -0.237 3.934 4.170 0.000 0.000 0.237 217 I C 3.353 179.382 176.117 -0.148 0.000 1.059 217 I CA 1.170 62.313 61.300 -0.261 0.000 1.317 217 I CB -0.501 37.378 38.000 -0.202 0.000 1.037 217 I HN 0.240 nan 8.210 nan 0.000 0.398 218 A N 0.382 123.190 122.820 -0.019 0.000 1.969 218 A HA -0.335 3.985 4.320 0.000 0.000 0.223 218 A C 2.354 179.984 177.584 0.076 0.000 1.218 218 A CA 3.056 55.137 52.037 0.072 0.000 0.667 218 A CB -1.452 17.626 19.000 0.130 0.000 0.826 218 A HN 0.504 nan 8.150 nan 0.000 0.472 219 T N -0.376 114.202 114.554 0.041 0.000 2.701 219 T HA -0.083 4.267 4.350 0.000 0.000 0.263 219 T C 1.919 176.633 174.700 0.024 0.000 1.040 219 T CA 1.977 64.097 62.100 0.034 0.000 1.147 219 T CB -0.719 68.160 68.868 0.019 0.000 0.865 219 T HN 0.677 nan 8.240 nan 0.000 0.426 220 V N -1.286 118.594 119.914 -0.057 0.000 3.078 220 V HA 0.123 4.243 4.120 0.000 0.000 0.265 220 V C 1.519 177.743 176.094 0.215 0.000 1.122 220 V CA 1.403 63.675 62.300 -0.046 0.000 1.141 220 V CB -1.098 30.572 31.823 -0.255 0.000 0.735 220 V HN 0.543 nan 8.190 nan 0.000 0.498 221 F N 0.049 120.009 119.950 0.017 0.000 2.746 221 F HA 0.343 4.870 4.527 0.000 0.000 0.320 221 F C 1.396 177.205 175.800 0.015 0.000 1.097 221 F CA 0.078 58.087 58.000 0.014 0.000 1.195 221 F CB 0.107 39.114 39.000 0.012 0.000 1.056 221 F HN 0.239 nan 8.300 nan 0.000 0.562 222 N N 1.712 120.530 118.700 0.197 0.000 2.678 222 N HA -0.224 4.516 4.740 0.000 0.000 0.250 222 N C -0.005 175.571 175.510 0.111 0.000 1.136 222 N CA -0.427 52.694 53.050 0.119 0.000 0.757 222 N CB -0.433 38.103 38.487 0.082 0.000 1.135 222 N HN 0.138 nan 8.380 nan 0.000 0.565 223 L N 1.296 122.609 121.223 0.151 0.000 2.714 223 L HA -0.124 4.216 4.340 0.000 0.000 0.301 223 L C 1.060 177.978 176.870 0.080 0.000 1.248 223 L CA 1.242 56.153 54.840 0.118 0.000 0.885 223 L CB 0.075 42.211 42.059 0.129 0.000 1.143 223 L HN 0.286 nan 8.230 nan 0.000 0.500 224 S N 5.141 120.876 115.700 0.059 0.000 2.549 224 S HA 0.157 4.627 4.470 0.000 0.000 0.283 224 S C -1.235 173.395 174.600 0.050 0.000 1.320 224 S CA -1.157 57.072 58.200 0.047 0.000 1.058 224 S CB 1.088 64.308 63.200 0.032 0.000 0.882 224 S HN 0.424 nan 8.310 nan 0.000 0.498 225 P HA -0.136 nan 4.420 nan 0.000 0.220 225 P C 0.942 178.269 177.300 0.044 0.000 1.142 225 P CA 1.132 64.269 63.100 0.061 0.000 0.801 225 P CB 0.194 31.928 31.700 0.056 0.000 0.764 226 E N 0.155 120.374 120.200 0.033 0.000 2.075 226 E HA -0.135 4.215 4.350 0.000 0.000 0.190 226 E C 1.990 178.601 176.600 0.019 0.000 0.969 226 E CA 0.909 57.323 56.400 0.023 0.000 0.815 226 E CB -0.454 29.258 29.700 0.019 0.000 0.776 226 E HN 0.330 nan 8.360 nan 0.000 0.457 227 E N -0.711 119.504 120.200 0.024 0.000 2.208 227 E HA -0.098 4.252 4.350 0.000 0.000 0.193 227 E C 1.721 178.336 176.600 0.024 0.000 0.988 227 E CA 1.310 57.725 56.400 0.024 0.000 0.828 227 E CB -0.296 29.421 29.700 0.030 0.000 0.763 227 E HN 0.054 nan 8.360 nan 0.000 0.478 228 T N 1.683 116.252 114.554 0.025 0.000 2.699 228 T HA -0.207 4.143 4.350 0.000 0.000 0.268 228 T C 1.675 176.352 174.700 -0.038 0.000 1.036 228 T CA 1.826 63.925 62.100 -0.002 0.000 1.147 228 T CB -0.221 68.650 68.868 0.005 0.000 0.862 228 T HN 0.207 nan 8.240 nan 0.000 0.446 229 K N 0.779 121.166 120.400 -0.021 0.000 2.442 229 K HA -0.070 4.250 4.320 0.000 0.000 0.199 229 K C 1.861 178.444 176.600 -0.029 0.000 1.044 229 K CA 0.930 57.199 56.287 -0.030 0.000 0.941 229 K CB 0.012 32.507 32.500 -0.008 0.000 0.759 229 K HN 0.329 nan 8.250 nan 0.000 0.472 230 N N 0.371 119.061 118.700 -0.017 0.000 2.432 230 N HA -0.010 4.730 4.740 0.000 0.000 0.174 230 N C 1.705 177.207 175.510 -0.013 0.000 1.037 230 N CA 0.856 53.900 53.050 -0.010 0.000 0.892 230 N CB 0.178 38.668 38.487 0.004 0.000 1.049 230 N HN 0.315 nan 8.380 nan 0.000 0.442 231 I N -0.865 119.695 120.570 -0.016 0.000 2.916 231 I HA -0.069 4.101 4.170 0.000 0.000 0.267 231 I C 1.891 177.981 176.117 -0.045 0.000 1.263 231 I CA 0.380 61.671 61.300 -0.016 0.000 1.471 231 I CB -0.514 37.481 38.000 -0.008 0.000 1.089 231 I HN -0.246 nan 8.210 nan 0.000 0.468 232 V N 2.861 122.737 119.914 -0.064 0.000 2.231 232 V HA -0.198 3.922 4.120 0.000 0.000 0.250 232 V C 0.147 176.209 176.094 -0.054 0.000 1.058 232 V CA 2.587 64.841 62.300 -0.078 0.000 1.022 232 V CB -2.392 29.385 31.823 -0.076 0.000 0.640 232 V HN 0.444 nan 8.190 nan 0.000 0.445 233 P HA -0.148 nan 4.420 nan 0.000 0.231 233 P C 1.546 178.830 177.300 -0.027 0.000 1.158 233 P CA 1.539 64.621 63.100 -0.029 0.000 0.763 233 P CB 0.006 31.694 31.700 -0.020 0.000 0.805 234 M N -0.851 118.733 119.600 -0.027 0.000 2.412 234 M HA 0.088 4.568 4.480 0.000 0.000 0.263 234 M C 2.105 178.385 176.300 -0.032 0.000 1.122 234 M CA 1.024 56.312 55.300 -0.021 0.000 1.179 234 M CB -0.244 32.353 32.600 -0.005 0.000 1.335 234 M HN -0.097 nan 8.290 nan 0.000 0.465 235 A N 1.028 123.821 122.820 -0.046 0.000 1.892 235 A HA -0.274 4.046 4.320 0.000 0.000 0.218 235 A C 2.041 179.596 177.584 -0.049 0.000 1.188 235 A CA 2.337 54.340 52.037 -0.056 0.000 0.631 235 A CB -0.895 18.058 19.000 -0.077 0.000 0.822 235 A HN 0.592 nan 8.150 nan 0.000 0.447 236 R N -0.228 120.243 120.500 -0.048 0.000 2.115 236 R HA -0.193 4.147 4.340 0.000 0.000 0.239 236 R C 2.229 178.503 176.300 -0.042 0.000 1.133 236 R CA 2.222 58.296 56.100 -0.043 0.000 0.935 236 R CB -0.675 29.602 30.300 -0.039 0.000 0.853 236 R HN 0.431 nan 8.270 nan 0.000 0.433 237 A N 0.477 123.272 122.820 -0.041 0.000 2.024 237 A HA -0.120 4.200 4.320 0.000 0.000 0.220 237 A C 2.117 179.670 177.584 -0.051 0.000 1.164 237 A CA 1.517 53.526 52.037 -0.047 0.000 0.643 237 A CB -0.523 18.453 19.000 -0.041 0.000 0.806 237 A HN 0.425 nan 8.150 nan 0.000 0.451 238 L N -0.415 120.782 121.223 -0.043 0.000 2.554 238 L HA 0.156 4.496 4.340 0.000 0.000 0.226 238 L C 0.228 177.072 176.870 -0.043 0.000 1.137 238 L CA -0.305 54.511 54.840 -0.041 0.000 0.863 238 L CB -0.419 41.619 42.059 -0.036 0.000 0.985 238 L HN 0.280 nan 8.230 nan 0.000 0.451 239 I N 0.986 121.530 120.570 -0.044 0.000 2.741 239 I HA -0.030 4.140 4.170 0.000 0.000 0.288 239 I C 1.397 177.488 176.117 -0.042 0.000 1.192 239 I CA 1.062 62.338 61.300 -0.040 0.000 1.426 239 I CB 0.329 38.307 38.000 -0.036 0.000 1.367 239 I HN 0.349 nan 8.210 nan 0.000 0.563 240 G N 4.229 113.007 108.800 -0.037 0.000 2.176 240 G HA2 -0.228 3.732 3.960 0.000 0.000 0.232 240 G HA3 -0.228 3.732 3.960 0.000 0.000 0.232 240 G C 0.212 175.088 174.900 -0.041 0.000 0.986 240 G CA -0.505 44.573 45.100 -0.037 0.000 0.643 240 G HN 0.632 nan 8.290 nan 0.000 0.522 241 N N -0.262 118.413 118.700 -0.043 0.000 2.445 241 N HA 0.345 5.086 4.740 0.000 0.000 0.264 241 N C 0.994 176.480 175.510 -0.040 0.000 1.227 241 N CA -0.552 52.469 53.050 -0.047 0.000 0.963 241 N CB 0.689 39.149 38.487 -0.046 0.000 1.188 241 N HN -0.036 nan 8.380 nan 0.000 0.491 242 R N -0.036 120.436 120.500 -0.046 0.000 2.189 242 R HA 0.076 4.416 4.340 0.000 0.000 0.203 242 R C -0.015 176.264 176.300 -0.035 0.000 1.012 242 R CA 0.567 56.644 56.100 -0.039 0.000 1.015 242 R CB 0.104 30.378 30.300 -0.044 0.000 0.938 242 R HN 0.687 nan 8.270 nan 0.000 0.472 243 S N -1.252 114.424 115.700 -0.040 0.000 2.541 243 S HA 0.815 5.285 4.470 0.000 0.000 0.271 243 S C -1.154 173.442 174.600 -0.008 0.000 1.133 243 S CA -0.742 57.444 58.200 -0.024 0.000 0.876 243 S CB 2.585 65.768 63.200 -0.029 0.000 1.105 243 S HN 0.197 nan 8.310 nan 0.000 0.470 244 A N 1.088 123.915 122.820 0.012 0.000 2.605 244 A HA 0.795 5.115 4.320 0.000 0.000 0.294 244 A C -1.636 175.969 177.584 0.035 0.000 1.062 244 A CA -0.786 51.268 52.037 0.029 0.000 0.682 244 A CB 1.316 20.318 19.000 0.003 0.000 1.278 244 A HN 1.231 nan 8.150 nan 0.000 0.410 245 V N 0.794 120.737 119.914 0.049 0.000 2.656 245 V HA 0.695 4.815 4.120 0.000 0.000 0.307 245 V C -0.736 175.390 176.094 0.054 0.000 1.051 245 V CA -0.575 61.756 62.300 0.051 0.000 0.893 245 V CB 1.752 33.614 31.823 0.064 0.000 0.999 245 V HN 0.826 nan 8.190 nan 0.000 0.426 246 V N 4.924 124.879 119.914 0.068 0.000 2.638 246 V HA 0.566 4.687 4.120 0.000 0.000 0.306 246 V C -0.615 175.634 176.094 0.259 0.000 1.052 246 V CA -0.502 61.865 62.300 0.112 0.000 0.885 246 V CB 2.363 34.203 31.823 0.028 0.000 0.999 246 V HN 0.620 nan 8.190 nan 0.000 0.424 247 V N 4.773 124.832 119.914 0.241 0.000 2.555 247 V HA 0.466 4.586 4.120 0.000 0.000 0.302 247 V C 0.057 176.224 176.094 0.123 0.000 1.038 247 V CA -0.968 61.452 62.300 0.200 0.000 0.887 247 V CB 1.985 33.863 31.823 0.091 0.000 0.991 247 V HN 0.761 nan 8.190 nan 0.000 0.434 248 K N 3.788 124.086 120.400 -0.170 0.000 2.263 248 K HA 0.419 4.739 4.320 0.000 0.000 0.282 248 K C 0.083 176.564 176.600 -0.199 0.000 1.089 248 K CA -0.128 55.924 56.287 -0.393 0.000 0.907 248 K CB 0.798 32.659 32.500 -1.065 0.000 1.148 248 K HN 0.979 nan 8.250 nan 0.000 0.470 249 T N 0.627 115.124 114.554 -0.095 0.000 2.919 249 T HA 0.454 4.804 4.350 0.000 0.000 0.282 249 T C -1.395 173.274 174.700 -0.052 0.000 1.020 249 T CA -1.407 60.658 62.100 -0.057 0.000 0.994 249 T CB 1.291 70.148 68.868 -0.019 0.000 1.180 249 T HN 0.306 nan 8.240 nan 0.000 0.566 250 P HA 0.069 nan 4.420 nan 0.000 0.213 250 P C 1.163 178.454 177.300 -0.016 0.000 1.170 250 P CA 0.975 64.059 63.100 -0.027 0.000 0.889 250 P CB 0.062 31.750 31.700 -0.019 0.000 0.782 251 S N -0.950 114.745 115.700 -0.008 0.000 2.754 251 S HA 0.390 4.860 4.470 0.000 0.000 0.247 251 S C 0.736 175.338 174.600 0.005 0.000 1.031 251 S CA -0.397 57.802 58.200 -0.001 0.000 1.014 251 S CB -0.903 62.297 63.200 0.000 0.000 0.918 251 S HN 0.264 nan 8.310 nan 0.000 0.519 252 G N 2.053 110.856 108.800 0.006 0.000 2.491 252 G HA2 0.445 4.405 3.960 0.000 0.000 0.238 252 G HA3 0.445 4.405 3.960 0.000 0.000 0.238 252 G C -0.515 174.396 174.900 0.020 0.000 1.277 252 G CA 0.196 45.304 45.100 0.014 0.000 0.851 252 G HN 0.581 nan 8.290 nan 0.000 0.573 253 D N -1.118 119.293 120.400 0.019 0.000 2.755 253 D HA 0.177 4.817 4.640 0.000 0.000 0.277 253 D C -1.642 174.666 176.300 0.013 0.000 1.261 253 D CA -0.542 53.469 54.000 0.018 0.000 0.759 253 D CB 1.148 41.956 40.800 0.013 0.000 1.279 253 D HN 0.377 nan 8.370 nan 0.000 0.420 254 V N 0.611 120.530 119.914 0.008 0.000 2.417 254 V HA 0.583 4.703 4.120 0.000 0.000 0.291 254 V C -0.530 175.563 176.094 -0.001 0.000 1.024 254 V CA -0.424 61.877 62.300 0.002 0.000 0.861 254 V CB 1.304 33.125 31.823 -0.003 0.000 0.985 254 V HN 0.526 nan 8.190 nan 0.000 0.436 255 K N 3.619 124.019 120.400 -0.000 0.000 2.501 255 K HA 0.905 5.225 4.320 0.000 0.000 0.252 255 K C -0.881 175.718 176.600 -0.001 0.000 0.934 255 K CA -0.412 55.874 56.287 -0.002 0.000 0.797 255 K CB 2.512 35.012 32.500 0.000 0.000 1.270 255 K HN 0.746 nan 8.250 nan 0.000 0.431 256 A N 2.307 125.125 122.820 -0.004 0.000 2.380 256 A HA 0.965 5.285 4.320 0.000 0.000 0.315 256 A C -1.102 176.481 177.584 -0.001 0.000 1.101 256 A CA -0.858 51.178 52.037 -0.002 0.000 0.771 256 A CB 0.975 19.972 19.000 -0.004 0.000 1.287 256 A HN 0.888 nan 8.150 nan 0.000 0.436 257 R N -0.229 120.272 120.500 0.001 0.000 3.062 257 R HA 0.619 4.959 4.340 0.000 0.000 0.279 257 R C -0.517 175.784 176.300 0.003 0.000 1.003 257 R CA -0.176 55.925 56.100 0.001 0.000 0.872 257 R CB 0.466 30.767 30.300 0.001 0.000 1.280 257 R HN 1.528 nan 8.270 nan 0.000 0.516 258 A N 2.185 125.006 122.820 0.002 0.000 2.466 258 A HA 0.574 4.895 4.320 0.000 0.000 0.238 258 A C 0.434 178.021 177.584 0.004 0.000 1.074 258 A CA 0.068 52.107 52.037 0.003 0.000 0.774 258 A CB -0.161 18.841 19.000 0.003 0.000 1.015 258 A HN 0.773 nan 8.150 nan 0.000 0.498 259 I N -1.596 118.977 120.570 0.005 0.000 2.969 259 I HA 0.602 4.772 4.170 0.000 0.000 0.307 259 I C -2.622 173.498 176.117 0.005 0.000 1.149 259 I CA -2.815 58.488 61.300 0.005 0.000 1.008 259 I CB 2.121 40.125 38.000 0.006 0.000 1.232 259 I HN 0.404 nan 8.210 nan 0.000 0.435 260 P HA 0.007 nan 4.420 nan 0.000 0.258 260 P C 0.092 177.395 177.300 0.004 0.000 1.172 260 P CA 0.257 63.360 63.100 0.005 0.000 0.762 260 P CB 1.080 32.783 31.700 0.005 0.000 0.764 261 A N 3.319 126.141 122.820 0.004 0.000 1.963 261 A HA 0.562 4.883 4.320 0.000 0.000 0.207 261 A C 1.023 178.609 177.584 0.004 0.000 1.243 261 A CA 1.082 53.121 52.037 0.004 0.000 0.728 261 A CB -0.522 18.480 19.000 0.003 0.000 0.895 261 A HN 0.845 nan 8.150 nan 0.000 0.467 262 G N -1.064 107.739 108.800 0.005 0.000 2.479 262 G HA2 0.060 4.020 3.960 0.000 0.000 0.686 262 G HA3 0.060 4.020 3.960 0.000 0.000 0.686 262 G C -1.392 173.511 174.900 0.006 0.000 1.295 262 G CA -0.338 44.765 45.100 0.005 0.000 0.922 262 G HN 0.549 nan 8.290 nan 0.000 0.582 263 N N -0.699 118.005 118.700 0.007 0.000 2.242 263 N HA 0.574 5.315 4.740 0.000 0.000 0.292 263 N C -0.750 174.766 175.510 0.009 0.000 1.125 263 N CA -0.776 52.278 53.050 0.008 0.000 0.783 263 N CB 2.396 40.887 38.487 0.008 0.000 1.558 263 N HN 0.496 nan 8.380 nan 0.000 0.472 264 L N 1.110 122.338 121.223 0.009 0.000 2.307 264 L HA 0.385 4.725 4.340 0.000 0.000 0.282 264 L C 0.157 177.035 176.870 0.013 0.000 1.051 264 L CA -0.550 54.297 54.840 0.012 0.000 0.804 264 L CB 1.114 43.180 42.059 0.011 0.000 1.197 264 L HN 0.462 nan 8.230 nan 0.000 0.431 265 E N 3.470 123.680 120.200 0.016 0.000 2.133 265 E HA 0.417 4.767 4.350 0.000 0.000 0.274 265 E C -1.237 175.374 176.600 0.018 0.000 0.930 265 E CA -0.281 56.129 56.400 0.016 0.000 0.770 265 E CB 1.074 30.785 29.700 0.018 0.000 1.104 265 E HN 0.402 nan 8.360 nan 0.000 0.403 266 L N 5.858 127.089 121.223 0.013 0.000 2.321 266 L HA 0.344 4.684 4.340 0.000 0.000 0.272 266 L C -0.855 176.019 176.870 0.007 0.000 1.050 266 L CA -1.071 53.777 54.840 0.013 0.000 0.893 266 L CB 0.151 42.216 42.059 0.009 0.000 1.272 266 L HN 0.365 nan 8.230 nan 0.000 0.435 267 L N 3.382 124.610 121.223 0.007 0.000 2.361 267 L HA 0.630 4.971 4.340 0.000 0.000 0.278 267 L C 0.435 177.296 176.870 -0.015 0.000 1.113 267 L CA 0.484 55.320 54.840 -0.006 0.000 0.849 267 L CB 0.702 42.754 42.059 -0.011 0.000 1.155 267 L HN 0.683 nan 8.230 nan 0.000 0.452 268 A N 2.745 125.554 122.820 -0.018 0.000 2.599 268 A HA 0.590 4.910 4.320 0.000 0.000 0.294 268 A C -0.213 177.360 177.584 -0.019 0.000 1.055 268 A CA -0.156 51.870 52.037 -0.019 0.000 0.683 268 A CB 1.030 20.025 19.000 -0.009 0.000 1.278 268 A HN 0.630 nan 8.150 nan 0.000 0.412 269 Q N -0.736 119.052 119.800 -0.021 0.000 1.659 269 Q HA -0.301 4.039 4.340 0.000 0.000 0.347 269 Q C 1.288 177.273 176.000 -0.024 0.000 0.831 269 Q CA 2.662 58.453 55.803 -0.019 0.000 0.873 269 Q CB -1.595 27.136 28.738 -0.013 0.000 3.305 269 Q HN 1.861 nan 8.270 nan 0.000 0.659 270 G N 0.395 109.184 108.800 -0.019 0.000 2.426 270 G HA2 0.021 3.981 3.960 0.000 0.000 0.214 270 G HA3 0.021 3.981 3.960 0.000 0.000 0.214 270 G C 0.698 175.586 174.900 -0.020 0.000 1.156 270 G CA 0.916 46.004 45.100 -0.020 0.000 0.802 270 G HN 0.588 nan 8.290 nan 0.000 0.534 271 R N -0.997 119.494 120.500 -0.016 0.000 2.751 271 R HA 0.739 5.079 4.340 0.000 0.000 0.217 271 R C -0.643 175.650 176.300 -0.011 0.000 1.436 271 R CA -0.269 55.824 56.100 -0.012 0.000 1.006 271 R CB 0.450 30.745 30.300 -0.008 0.000 2.065 271 R HN -0.066 nan 8.270 nan 0.000 0.525 272 S N 0.313 116.009 115.700 -0.006 0.000 2.381 272 S HA 0.214 4.685 4.470 0.000 0.000 0.193 272 S C -1.169 173.432 174.600 0.001 0.000 1.287 272 S CA -0.809 57.390 58.200 -0.002 0.000 1.199 272 S CB 0.793 63.993 63.200 -0.000 0.000 1.214 272 S HN 0.535 nan 8.310 nan 0.000 0.444 273 V N 5.083 124.997 119.914 0.001 0.000 2.732 273 V HA 0.631 4.752 4.120 0.000 0.000 0.297 273 V C 0.288 176.385 176.094 0.005 0.000 1.060 273 V CA -0.287 62.014 62.300 0.002 0.000 1.038 273 V CB 1.304 33.128 31.823 0.002 0.000 1.003 273 V HN 0.902 nan 8.190 nan 0.000 0.481 274 R N 3.731 124.234 120.500 0.005 0.000 2.700 274 R HA 0.860 5.200 4.340 0.000 0.000 0.253 274 R C -1.508 174.796 176.300 0.005 0.000 1.091 274 R CA -0.357 55.747 56.100 0.006 0.000 1.104 274 R CB 1.874 32.177 30.300 0.006 0.000 1.202 274 R HN 0.725 nan 8.270 nan 0.000 0.532 275 V N 1.404 121.321 119.914 0.006 0.000 3.036 275 V HA 0.158 4.278 4.120 0.000 0.000 0.280 275 V C -2.055 174.042 176.094 0.005 0.000 1.497 275 V CA -0.854 61.449 62.300 0.005 0.000 0.982 275 V CB 2.077 33.903 31.823 0.005 0.000 1.171 275 V HN 0.939 nan 8.190 nan 0.000 0.444 276 D N 4.368 124.770 120.400 0.004 0.000 2.280 276 D HA 0.358 4.998 4.640 0.000 0.000 0.243 276 D C 1.063 177.365 176.300 0.004 0.000 1.129 276 D CA 0.282 54.285 54.000 0.004 0.000 0.848 276 D CB 2.009 42.812 40.800 0.004 0.000 1.107 276 D HN 0.327 nan 8.370 nan 0.000 0.471 277 V N 4.041 123.957 119.914 0.004 0.000 2.370 277 V HA -0.274 3.846 4.120 0.000 0.000 0.252 277 V C 2.106 178.201 176.094 0.002 0.000 1.068 277 V CA 2.395 64.696 62.300 0.003 0.000 1.061 277 V CB -0.697 31.128 31.823 0.003 0.000 0.656 277 V HN 0.754 nan 8.190 nan 0.000 0.455 278 A N -0.631 122.190 122.820 0.002 0.000 2.276 278 A HA 0.429 4.749 4.320 0.000 0.000 0.212 278 A C 1.887 179.472 177.584 0.002 0.000 1.230 278 A CA 0.759 52.797 52.037 0.002 0.000 0.844 278 A CB -0.427 18.575 19.000 0.003 0.000 0.860 278 A HN 0.537 nan 8.150 nan 0.000 0.486 279 A N -0.436 122.386 122.820 0.002 0.000 2.291 279 A HA 0.481 4.801 4.320 0.000 0.000 0.220 279 A C 1.242 178.827 177.584 0.001 0.000 1.262 279 A CA 0.707 52.746 52.037 0.002 0.000 0.867 279 A CB -1.218 17.784 19.000 0.002 0.000 0.888 279 A HN 1.997 nan 8.150 nan 0.000 0.487 280 G N -2.626 106.174 108.800 0.001 0.000 2.722 280 G HA2 0.217 4.177 3.960 0.000 0.000 0.686 280 G HA3 0.217 4.177 3.960 0.000 0.000 0.686 280 G C 0.689 175.589 174.900 -0.001 0.000 1.282 280 G CA -0.363 44.737 45.100 -0.000 0.000 0.817 280 G HN 1.324 nan 8.290 nan 0.000 0.605 281 A N 0.461 123.279 122.820 -0.003 0.000 1.968 281 A HA 0.155 4.475 4.320 0.000 0.000 0.217 281 A C 2.036 179.619 177.584 -0.003 0.000 1.169 281 A CA 2.107 54.141 52.037 -0.004 0.000 0.638 281 A CB -0.294 18.702 19.000 -0.008 0.000 0.812 281 A HN 1.051 nan 8.150 nan 0.000 0.446 282 E N 0.247 120.446 120.200 -0.002 0.000 2.038 282 E HA -0.188 4.163 4.350 0.000 0.000 0.195 282 E C 2.168 178.769 176.600 0.001 0.000 1.000 282 E CA 1.203 57.603 56.400 0.000 0.000 0.803 282 E CB -0.283 29.418 29.700 0.002 0.000 0.750 282 E HN 0.517 nan 8.360 nan 0.000 0.448 283 A N 1.187 124.008 122.820 0.001 0.000 1.917 283 A HA -0.219 4.101 4.320 0.000 0.000 0.219 283 A C 2.163 179.749 177.584 0.002 0.000 1.182 283 A CA 1.789 53.828 52.037 0.002 0.000 0.633 283 A CB -0.757 18.244 19.000 0.002 0.000 0.819 283 A HN 0.377 nan 8.150 nan 0.000 0.448 284 I N -1.951 118.619 120.570 0.001 0.000 2.163 284 I HA -0.256 3.915 4.170 0.000 0.000 0.240 284 I C 2.586 178.704 176.117 0.001 0.000 1.081 284 I CA 1.774 63.075 61.300 0.001 0.000 1.353 284 I CB -0.426 37.574 38.000 0.000 0.000 1.054 284 I HN 0.263 nan 8.210 nan 0.000 0.407 285 M N 1.078 120.678 119.600 -0.000 0.000 2.267 285 M HA -0.218 4.262 4.480 0.000 0.000 0.263 285 M C 2.153 178.454 176.300 0.002 0.000 1.063 285 M CA 1.703 57.003 55.300 -0.000 0.000 1.090 285 M CB -0.591 32.008 32.600 -0.002 0.000 1.392 285 M HN 0.108 nan 8.290 nan 0.000 0.422 286 K N -0.580 119.821 120.400 0.002 0.000 2.031 286 K HA -0.084 4.236 4.320 0.000 0.000 0.205 286 K C 1.878 178.480 176.600 0.003 0.000 1.049 286 K CA 1.438 57.726 56.287 0.003 0.000 0.939 286 K CB -0.287 32.215 32.500 0.004 0.000 0.717 286 K HN 0.269 nan 8.250 nan 0.000 0.438 287 A N 1.083 123.905 122.820 0.003 0.000 1.958 287 A HA -0.141 4.179 4.320 0.000 0.000 0.221 287 A C 2.193 179.779 177.584 0.004 0.000 1.178 287 A CA 1.934 53.973 52.037 0.004 0.000 0.642 287 A CB -0.617 18.385 19.000 0.004 0.000 0.816 287 A HN 0.215 nan 8.150 nan 0.000 0.453 288 V N 0.134 120.050 119.914 0.004 0.000 2.278 288 V HA -0.122 3.998 4.120 0.000 0.000 0.238 288 V C 1.713 177.810 176.094 0.005 0.000 1.039 288 V CA 1.854 64.157 62.300 0.005 0.000 1.017 288 V CB -0.784 31.043 31.823 0.006 0.000 0.657 288 V HN 0.453 nan 8.190 nan 0.000 0.462 289 D N 0.534 120.936 120.400 0.004 0.000 2.403 289 D HA -0.027 4.613 4.640 0.000 0.000 0.227 289 D C 1.632 177.934 176.300 0.002 0.000 0.995 289 D CA 1.096 55.098 54.000 0.003 0.000 0.928 289 D CB -0.156 40.645 40.800 0.001 0.000 0.887 289 D HN 0.503 nan 8.370 nan 0.000 0.529 290 G N 0.104 108.905 108.800 0.003 0.000 2.641 290 G HA2 -0.051 3.909 3.960 0.000 0.000 0.211 290 G HA3 -0.051 3.909 3.960 0.000 0.000 0.211 290 G C 0.986 175.886 174.900 0.001 0.000 1.190 290 G CA 0.481 45.582 45.100 0.002 0.000 0.842 290 G HN 0.445 nan 8.290 nan 0.000 0.585 291 C N 0.623 119.924 119.300 0.001 0.000 2.877 291 C HA 0.586 5.046 4.460 0.000 0.000 0.302 291 C C 2.444 177.433 174.990 -0.002 0.000 1.416 291 C CA -0.289 58.729 59.018 -0.001 0.000 2.113 291 C CB -0.255 27.485 27.740 -0.001 0.000 2.271 291 C HN 0.497 nan 8.230 nan 0.000 0.729 292 G N 0.232 109.029 108.800 -0.005 0.000 2.981 292 G HA2 0.127 4.087 3.960 0.000 0.000 0.199 292 G HA3 0.127 4.087 3.960 0.000 0.000 0.199 292 G C 0.381 175.279 174.900 -0.004 0.000 1.434 292 G CA 1.084 46.180 45.100 -0.006 0.000 0.800 292 G HN 0.852 nan 8.290 nan 0.000 0.702 293 R N -1.212 119.284 120.500 -0.006 0.000 2.535 293 R HA 0.281 4.621 4.340 0.000 0.000 0.274 293 R C -0.739 175.559 176.300 -0.003 0.000 1.090 293 R CA -0.764 55.336 56.100 -0.000 0.000 0.930 293 R CB 0.993 31.295 30.300 0.003 0.000 1.223 293 R HN 0.310 nan 8.270 nan 0.000 0.441 294 L N 4.362 125.588 121.223 0.005 0.000 2.838 294 L HA -0.069 4.271 4.340 0.000 0.000 0.287 294 L C 0.526 177.398 176.870 0.003 0.000 1.124 294 L CA 0.287 55.131 54.840 0.007 0.000 1.091 294 L CB -0.001 42.070 42.059 0.019 0.000 1.448 294 L HN 0.407 nan 8.230 nan 0.000 0.455 295 D N 1.621 122.007 120.400 -0.023 0.000 2.378 295 D HA -0.028 4.613 4.640 0.000 0.000 0.227 295 D C 0.494 176.762 176.300 -0.054 0.000 1.012 295 D CA 0.731 54.693 54.000 -0.064 0.000 0.905 295 D CB 0.013 40.747 40.800 -0.111 0.000 0.895 295 D HN 0.604 nan 8.370 nan 0.000 0.532 296 N N -1.698 117.010 118.700 0.013 0.000 3.951 296 N HA 0.173 4.913 4.740 0.000 0.000 0.222 296 N C -2.278 173.273 175.510 0.067 0.000 1.352 296 N CA -0.549 52.555 53.050 0.090 0.000 0.852 296 N CB 0.784 39.355 38.487 0.140 0.000 1.444 296 N HN -0.284 nan 8.380 nan 0.000 0.473 297 V N 0.632 120.594 119.914 0.081 0.000 2.777 297 V HA 0.793 4.913 4.120 0.000 0.000 0.306 297 V C -0.876 175.250 176.094 0.053 0.000 1.112 297 V CA -0.378 61.954 62.300 0.053 0.000 0.917 297 V CB 1.628 33.476 31.823 0.042 0.000 1.018 297 V HN 0.946 nan 8.190 nan 0.000 0.426 298 T N 0.484 115.062 114.554 0.041 0.000 2.894 298 T HA 0.940 5.291 4.350 0.000 0.000 0.309 298 T C -0.301 174.414 174.700 0.026 0.000 1.208 298 T CA -0.344 61.778 62.100 0.036 0.000 1.016 298 T CB 2.259 71.152 68.868 0.042 0.000 1.192 298 T HN 1.311 nan 8.240 nan 0.000 0.491 299 G N 0.129 108.942 108.800 0.022 0.000 2.660 299 G HA2 0.569 4.530 3.960 0.000 0.000 0.290 299 G HA3 0.569 4.530 3.960 0.000 0.000 0.290 299 G C -1.331 173.577 174.900 0.015 0.000 1.432 299 G CA -0.903 44.207 45.100 0.017 0.000 0.807 299 G HN 0.697 nan 8.290 nan 0.000 0.485 300 E N 0.926 121.133 120.200 0.012 0.000 2.493 300 E HA 0.078 4.429 4.350 0.000 0.000 0.255 300 E C 0.713 177.319 176.600 0.010 0.000 0.999 300 E CA 0.183 56.589 56.400 0.010 0.000 0.934 300 E CB 1.181 30.886 29.700 0.008 0.000 0.940 300 E HN 0.398 nan 8.360 nan 0.000 0.473 301 S N 2.220 117.926 115.700 0.010 0.000 2.575 301 S HA 0.183 4.653 4.470 0.000 0.000 0.295 301 S C 1.261 175.866 174.600 0.008 0.000 1.267 301 S CA 0.903 59.109 58.200 0.009 0.000 1.074 301 S CB -0.034 63.172 63.200 0.009 0.000 0.829 301 S HN 0.719 nan 8.310 nan 0.000 0.497 302 G N 3.220 112.024 108.800 0.007 0.000 2.254 302 G HA2 -0.253 3.707 3.960 0.000 0.000 0.225 302 G HA3 -0.253 3.707 3.960 0.000 0.000 0.225 302 G C 0.298 175.200 174.900 0.003 0.000 1.003 302 G CA 0.259 45.362 45.100 0.005 0.000 0.622 302 G HN 1.535 nan 8.290 nan 0.000 0.507 303 T N -0.518 114.038 114.554 0.004 0.000 2.918 303 T HA 0.419 4.770 4.350 0.000 0.000 0.302 303 T C 1.307 176.007 174.700 0.000 0.000 1.045 303 T CA 0.402 62.503 62.100 0.002 0.000 1.114 303 T CB 1.282 70.153 68.868 0.004 0.000 0.965 303 T HN 0.159 nan 8.240 nan 0.000 0.540 304 N N 1.197 119.895 118.700 -0.004 0.000 2.069 304 N HA -0.108 4.633 4.740 0.000 0.000 0.191 304 N C 1.862 177.368 175.510 -0.007 0.000 1.031 304 N CA 1.457 54.502 53.050 -0.009 0.000 0.852 304 N CB -0.279 38.201 38.487 -0.012 0.000 1.018 304 N HN 0.679 nan 8.380 nan 0.000 0.423 305 I N 0.720 121.288 120.570 -0.003 0.000 2.226 305 I HA -0.180 3.991 4.170 0.000 0.000 0.245 305 I C 2.527 178.648 176.117 0.007 0.000 1.100 305 I CA 1.174 62.474 61.300 0.001 0.000 1.374 305 I CB -0.655 37.346 38.000 0.002 0.000 1.057 305 I HN 0.141 nan 8.210 nan 0.000 0.413 306 G N 0.681 109.486 108.800 0.008 0.000 2.484 306 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 306 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 306 G C 1.775 176.685 174.900 0.017 0.000 1.219 306 G CA 0.816 45.923 45.100 0.013 0.000 0.791 306 G HN 0.465 nan 8.290 nan 0.000 0.550 307 G N 0.475 109.282 108.800 0.013 0.000 2.545 307 G HA2 -0.365 3.595 3.960 0.000 0.000 0.222 307 G HA3 -0.365 3.595 3.960 0.000 0.000 0.222 307 G C 1.746 176.667 174.900 0.035 0.000 1.126 307 G CA 1.508 46.619 45.100 0.018 0.000 0.754 307 G HN 0.367 nan 8.290 nan 0.000 0.583 308 M N 0.152 119.766 119.600 0.023 0.000 2.081 308 M HA 0.096 4.576 4.480 0.000 0.000 0.261 308 M C 2.619 178.960 176.300 0.069 0.000 1.075 308 M CA 1.251 56.574 55.300 0.038 0.000 1.133 308 M CB -0.637 31.968 32.600 0.010 0.000 1.330 308 M HN 0.248 nan 8.290 nan 0.000 0.414 309 L N 0.255 121.503 121.223 0.042 0.000 2.270 309 L HA -0.231 4.109 4.340 0.000 0.000 0.217 309 L C 2.077 178.967 176.870 0.033 0.000 1.107 309 L CA 1.150 56.012 54.840 0.036 0.000 0.772 309 L CB -0.625 41.450 42.059 0.026 0.000 0.902 309 L HN 0.356 nan 8.230 nan 0.000 0.439 310 E N -1.270 118.957 120.200 0.045 0.000 2.251 310 E HA -0.128 4.223 4.350 0.000 0.000 0.194 310 E C 1.895 178.515 176.600 0.035 0.000 0.964 310 E CA 0.532 56.948 56.400 0.027 0.000 0.868 310 E CB 0.039 29.754 29.700 0.025 0.000 0.828 310 E HN 0.435 nan 8.360 nan 0.000 0.481 311 H N -0.304 118.756 119.070 -0.016 0.000 2.353 311 H HA -0.072 4.485 4.556 0.000 0.000 0.300 311 H C 2.008 177.325 175.328 -0.018 0.000 1.090 311 H CA 1.981 58.020 56.048 -0.015 0.000 1.327 311 H CB -0.157 29.598 29.762 -0.011 0.000 1.383 311 H HN 0.089 nan 8.280 nan 0.000 0.508 312 V N 0.527 120.476 119.914 0.058 0.000 2.307 312 V HA -0.189 3.931 4.120 0.000 0.000 0.245 312 V C 2.545 178.598 176.094 -0.070 0.000 1.045 312 V CA 2.353 64.649 62.300 -0.006 0.000 1.024 312 V CB -0.573 31.276 31.823 0.044 0.000 0.651 312 V HN 0.505 nan 8.190 nan 0.000 0.449 313 R N -1.171 119.296 120.500 -0.054 0.000 2.092 313 R HA -0.147 4.194 4.340 0.000 0.000 0.231 313 R C 2.464 178.698 176.300 -0.110 0.000 1.119 313 R CA 1.598 57.648 56.100 -0.082 0.000 0.970 313 R CB -0.248 30.008 30.300 -0.072 0.000 0.864 313 R HN 0.543 nan 8.270 nan 0.000 0.440 314 Q N 0.075 119.806 119.800 -0.115 0.000 1.948 314 Q HA -0.137 4.204 4.340 0.000 0.000 0.205 314 Q C 2.092 178.001 176.000 -0.151 0.000 0.992 314 Q CA 2.345 58.071 55.803 -0.128 0.000 0.849 314 Q CB -0.920 27.736 28.738 -0.135 0.000 0.918 314 Q HN 0.306 nan 8.270 nan 0.000 0.421 315 T N 1.557 115.976 114.554 -0.224 0.000 2.736 315 T HA -0.271 4.079 4.350 0.000 0.000 0.265 315 T C 1.729 176.356 174.700 -0.121 0.000 1.031 315 T CA 2.156 64.131 62.100 -0.207 0.000 1.155 315 T CB -0.264 68.439 68.868 -0.275 0.000 0.849 315 T HN 0.175 nan 8.240 nan 0.000 0.471 316 M N 1.249 120.785 119.600 -0.105 0.000 2.081 316 M HA 0.189 4.670 4.480 0.000 0.000 0.261 316 M C 2.447 178.699 176.300 -0.080 0.000 1.075 316 M CA 1.685 56.938 55.300 -0.079 0.000 1.133 316 M CB -1.108 31.446 32.600 -0.077 0.000 1.330 316 M HN 0.186 nan 8.290 nan 0.000 0.414 317 A N 0.198 122.959 122.820 -0.097 0.000 1.869 317 A HA -0.242 4.078 4.320 0.000 0.000 0.218 317 A C 1.606 179.148 177.584 -0.070 0.000 1.203 317 A CA 2.156 54.139 52.037 -0.090 0.000 0.638 317 A CB -1.434 17.506 19.000 -0.100 0.000 0.831 317 A HN 0.722 nan 8.150 nan 0.000 0.450 318 E N -0.420 119.736 120.200 -0.074 0.000 2.780 318 E HA 0.200 4.551 4.350 0.000 0.000 0.234 318 E C 0.479 177.049 176.600 -0.050 0.000 1.425 318 E CA 0.050 56.414 56.400 -0.060 0.000 1.481 318 E CB -0.101 29.557 29.700 -0.070 0.000 1.357 318 E HN 0.534 nan 8.360 nan 0.000 0.431 319 L N -0.640 120.557 121.223 -0.044 0.000 3.003 319 L HA -0.057 4.283 4.340 0.000 0.000 0.335 319 L C 1.128 177.982 176.870 -0.027 0.000 1.038 319 L CA 1.277 56.097 54.840 -0.033 0.000 1.555 319 L CB -0.054 41.982 42.059 -0.039 0.000 2.586 319 L HN 0.237 nan 8.230 nan 0.000 0.563 320 T N -3.043 111.491 114.554 -0.034 0.000 3.145 320 T HA 0.173 4.523 4.350 0.000 0.000 0.255 320 T C 0.815 175.499 174.700 -0.026 0.000 1.039 320 T CA 0.523 62.607 62.100 -0.027 0.000 0.928 320 T CB -0.659 68.190 68.868 -0.032 0.000 1.029 320 T HN 0.375 nan 8.240 nan 0.000 0.554 321 N N 1.500 120.183 118.700 -0.028 0.000 2.707 321 N HA -0.181 4.559 4.740 0.000 0.000 0.253 321 N C -0.783 174.711 175.510 -0.027 0.000 0.998 321 N CA 0.779 53.814 53.050 -0.025 0.000 0.751 321 N CB -0.588 37.889 38.487 -0.016 0.000 0.920 321 N HN 0.649 nan 8.380 nan 0.000 0.539 322 K N -0.270 120.106 120.400 -0.040 0.000 2.400 322 K HA 0.560 4.880 4.320 0.000 0.000 0.246 322 K C -2.784 173.780 176.600 -0.060 0.000 0.995 322 K CA -1.827 54.434 56.287 -0.045 0.000 0.840 322 K CB 1.859 34.328 32.500 -0.051 0.000 1.293 322 K HN -0.060 nan 8.250 nan 0.000 0.445 323 P HA 0.038 nan 4.420 nan 0.000 0.284 323 P C 0.403 177.639 177.300 -0.107 0.000 1.253 323 P CA -0.264 62.796 63.100 -0.067 0.000 0.800 323 P CB 1.117 32.790 31.700 -0.045 0.000 0.961 324 S N 1.607 117.243 115.700 -0.107 0.000 2.423 324 S HA -0.206 4.264 4.470 0.000 0.000 0.238 324 S C 1.608 176.092 174.600 -0.193 0.000 1.028 324 S CA 1.730 59.844 58.200 -0.144 0.000 1.000 324 S CB -1.651 61.488 63.200 -0.103 0.000 0.797 324 S HN 0.619 nan 8.310 nan 0.000 0.487 325 S N 1.460 117.080 115.700 -0.134 0.000 2.584 325 S HA 0.007 4.477 4.470 0.000 0.000 0.240 325 S C 1.069 175.554 174.600 -0.191 0.000 0.975 325 S CA 0.597 58.731 58.200 -0.111 0.000 0.949 325 S CB -0.383 62.798 63.200 -0.031 0.000 0.761 325 S HN 0.750 nan 8.310 nan 0.000 0.536 326 E N 0.203 120.199 120.200 -0.339 0.000 2.562 326 E HA 0.262 4.612 4.350 0.000 0.000 0.214 326 E C -0.335 175.679 176.600 -0.977 0.000 0.979 326 E CA -0.210 55.928 56.400 -0.436 0.000 1.002 326 E CB 0.496 30.115 29.700 -0.135 0.000 1.048 326 E HN 0.466 nan 8.360 nan 0.000 0.488 327 I N 1.653 121.679 120.570 -0.906 0.000 2.331 327 I HA 0.294 4.464 4.170 0.000 0.000 0.292 327 I C -0.495 175.071 176.117 -0.919 0.000 0.998 327 I CA -0.253 60.621 61.300 -0.711 0.000 1.267 327 I CB 0.091 37.893 38.000 -0.330 0.000 1.386 327 I HN -0.138 nan 8.210 nan 0.000 0.476 328 F N 5.529 125.474 119.950 -0.009 0.000 2.529 328 F HA 0.458 4.985 4.527 0.000 0.000 0.320 328 F C 0.193 175.989 175.800 -0.006 0.000 1.118 328 F CA -1.060 56.936 58.000 -0.007 0.000 0.915 328 F CB 1.316 40.312 39.000 -0.007 0.000 1.161 328 F HN 0.115 nan 8.300 nan 0.000 0.445 329 I N 3.433 124.096 120.570 0.154 0.000 2.517 329 I HA 0.069 4.239 4.170 0.000 0.000 0.285 329 I C 0.961 177.131 176.117 0.088 0.000 1.106 329 I CA 0.285 61.637 61.300 0.087 0.000 1.402 329 I CB 0.843 38.880 38.000 0.061 0.000 1.399 329 I HN 0.762 nan 8.210 nan 0.000 0.535 330 Q N 3.299 123.139 119.800 0.067 0.000 2.408 330 Q HA 0.121 4.461 4.340 0.000 0.000 0.205 330 Q C -0.155 175.871 176.000 0.043 0.000 0.919 330 Q CA 0.392 56.228 55.803 0.055 0.000 0.932 330 Q CB 0.825 29.588 28.738 0.042 0.000 1.058 330 Q HN 0.764 nan 8.270 nan 0.000 0.517 331 D N -0.847 119.577 120.400 0.041 0.000 2.807 331 D HA 0.417 5.057 4.640 0.000 0.000 0.279 331 D C -1.985 174.332 176.300 0.028 0.000 1.247 331 D CA -0.566 53.455 54.000 0.034 0.000 0.749 331 D CB 1.176 42.000 40.800 0.040 0.000 1.264 331 D HN 0.000 nan 8.370 nan 0.000 0.421 332 L N -0.366 120.869 121.223 0.020 0.000 2.622 332 L HA 0.827 5.168 4.340 0.000 0.000 0.258 332 L C -2.214 174.658 176.870 0.002 0.000 0.996 332 L CA -0.980 53.867 54.840 0.011 0.000 0.858 332 L CB 1.486 43.551 42.059 0.011 0.000 1.449 332 L HN 0.512 nan 8.230 nan 0.000 0.411 333 L N 2.137 123.355 121.223 -0.009 0.000 2.342 333 L HA 0.973 5.313 4.340 0.000 0.000 0.271 333 L C -0.479 176.379 176.870 -0.020 0.000 1.008 333 L CA -0.093 54.736 54.840 -0.018 0.000 0.818 333 L CB 1.894 43.931 42.059 -0.036 0.000 1.296 333 L HN 0.921 nan 8.230 nan 0.000 0.427 334 A N 4.127 126.936 122.820 -0.019 0.000 2.342 334 A HA 0.838 5.159 4.320 0.000 0.000 0.323 334 A C -1.479 176.090 177.584 -0.024 0.000 1.125 334 A CA -0.501 51.526 52.037 -0.018 0.000 0.785 334 A CB 1.388 20.381 19.000 -0.010 0.000 1.221 334 A HN 0.524 nan 8.150 nan 0.000 0.463 335 V N 2.355 122.253 119.914 -0.026 0.000 2.760 335 V HA 0.335 4.455 4.120 0.000 0.000 0.309 335 V C -0.827 175.255 176.094 -0.020 0.000 1.077 335 V CA -0.977 61.307 62.300 -0.027 0.000 0.910 335 V CB 2.108 33.907 31.823 -0.041 0.000 1.008 335 V HN 0.935 nan 8.190 nan 0.000 0.424 336 D N 2.727 123.118 120.400 -0.015 0.000 2.304 336 D HA 0.579 5.219 4.640 0.000 0.000 0.247 336 D C 0.018 176.312 176.300 -0.010 0.000 1.089 336 D CA 0.321 54.316 54.000 -0.010 0.000 0.910 336 D CB 2.051 42.847 40.800 -0.006 0.000 1.199 336 D HN 0.831 nan 8.370 nan 0.000 0.426 337 T N -2.207 112.343 114.554 -0.006 0.000 2.923 337 T HA 0.362 4.713 4.350 0.000 0.000 0.311 337 T C -0.622 174.080 174.700 0.003 0.000 1.183 337 T CA -0.965 61.132 62.100 -0.004 0.000 1.020 337 T CB 1.639 70.502 68.868 -0.007 0.000 1.165 337 T HN 0.098 nan 8.240 nan 0.000 0.482 338 S N 1.681 117.386 115.700 0.008 0.000 2.422 338 S HA 0.661 5.131 4.470 0.000 0.000 0.308 338 S C -0.030 174.584 174.600 0.024 0.000 1.097 338 S CA -0.500 57.709 58.200 0.016 0.000 1.099 338 S CB -0.416 62.795 63.200 0.018 0.000 0.976 338 S HN 1.254 nan 8.310 nan 0.000 0.471 339 V N 3.115 123.046 119.914 0.029 0.000 2.864 339 V HA 0.857 4.977 4.120 0.000 0.000 0.314 339 V C -2.813 173.315 176.094 0.058 0.000 1.073 339 V CA -2.774 59.544 62.300 0.031 0.000 0.956 339 V CB 1.715 33.548 31.823 0.017 0.000 1.023 339 V HN 0.706 nan 8.190 nan 0.000 0.435 340 P HA 0.495 nan 4.420 nan 0.000 0.297 340 P C -0.902 176.446 177.300 0.079 0.000 1.319 340 P CA -0.320 62.857 63.100 0.129 0.000 0.810 340 P CB 1.702 33.451 31.700 0.082 0.000 0.947 341 V N 2.542 122.533 119.914 0.129 0.000 2.715 341 V HA 0.323 4.444 4.120 0.000 0.000 0.310 341 V C 0.640 176.819 176.094 0.142 0.000 1.054 341 V CA -0.680 61.671 62.300 0.085 0.000 0.928 341 V CB 1.959 33.819 31.823 0.061 0.000 1.007 341 V HN 0.442 nan 8.190 nan 0.000 0.437 342 S N 2.131 117.886 115.700 0.091 0.000 2.488 342 S HA 0.267 4.737 4.470 0.000 0.000 0.278 342 S C 0.061 174.712 174.600 0.085 0.000 1.259 342 S CA -0.277 57.993 58.200 0.117 0.000 1.061 342 S CB 0.885 64.116 63.200 0.052 0.000 0.910 342 S HN 0.481 nan 8.310 nan 0.000 0.491 343 V N 4.741 124.710 119.914 0.091 0.000 2.694 343 V HA -0.014 4.106 4.120 0.000 0.000 0.306 343 V C 0.864 176.974 176.094 0.026 0.000 1.054 343 V CA 0.378 62.704 62.300 0.043 0.000 1.161 343 V CB 0.674 32.509 31.823 0.021 0.000 0.916 343 V HN 0.865 nan 8.190 nan 0.000 0.490 344 T N 4.946 119.512 114.554 0.021 0.000 2.761 344 T HA 0.498 4.848 4.350 0.000 0.000 0.296 344 T C 1.074 175.784 174.700 0.016 0.000 0.934 344 T CA 0.712 62.824 62.100 0.019 0.000 1.091 344 T CB 0.847 69.728 68.868 0.021 0.000 0.896 344 T HN 1.261 nan 8.240 nan 0.000 0.515 345 G N 3.198 112.009 108.800 0.018 0.000 2.376 345 G HA2 -0.142 3.818 3.960 0.000 0.000 0.208 345 G HA3 -0.142 3.818 3.960 0.000 0.000 0.208 345 G C 0.587 175.489 174.900 0.004 0.000 1.032 345 G CA -0.299 44.816 45.100 0.024 0.000 0.641 345 G HN 1.085 nan 8.290 nan 0.000 0.503 346 G N 0.599 109.384 108.800 -0.025 0.000 2.353 346 G HA2 0.483 4.443 3.960 0.000 0.000 0.239 346 G HA3 0.483 4.443 3.960 0.000 0.000 0.239 346 G C 0.887 175.708 174.900 -0.132 0.000 1.295 346 G CA 0.171 45.238 45.100 -0.054 0.000 0.884 346 G HN 1.119 nan 8.290 nan 0.000 0.537 347 L N 1.336 122.482 121.223 -0.128 0.000 2.851 347 L HA 0.459 4.799 4.340 0.000 0.000 0.237 347 L C 1.545 178.246 176.870 -0.282 0.000 1.257 347 L CA 0.260 54.994 54.840 -0.176 0.000 1.061 347 L CB -0.139 41.917 42.059 -0.005 0.000 1.372 347 L HN 0.618 nan 8.230 nan 0.000 0.493 348 A N -0.468 122.168 122.820 -0.307 0.000 2.533 348 A HA 0.563 4.883 4.320 0.000 0.000 0.180 348 A C 1.313 178.816 177.584 -0.134 0.000 1.566 348 A CA 0.549 52.392 52.037 -0.324 0.000 1.153 348 A CB 0.595 19.189 19.000 -0.675 0.000 1.462 348 A HN 0.432 nan 8.150 nan 0.000 0.523 349 G N -0.144 108.594 108.800 -0.104 0.000 2.205 349 G HA2 -0.122 3.838 3.960 0.000 0.000 0.180 349 G HA3 -0.122 3.838 3.960 0.000 0.000 0.180 349 G C -0.304 174.676 174.900 0.133 0.000 1.004 349 G CA 0.022 45.130 45.100 0.013 0.000 0.670 349 G HN 0.404 nan 8.290 nan 0.000 0.496 350 E N 0.509 120.756 120.200 0.079 0.000 3.250 350 E HA 0.316 4.667 4.350 0.000 0.000 0.244 350 E C 0.299 176.966 176.600 0.112 0.000 0.931 350 E CA 1.129 57.561 56.400 0.054 0.000 0.954 350 E CB -0.437 29.263 29.700 0.001 0.000 0.894 350 E HN 0.804 nan 8.360 nan 0.000 0.560 351 F N 0.420 120.368 119.950 -0.003 0.000 2.603 351 F HA 0.805 5.332 4.527 0.001 0.000 0.317 351 F C -0.260 175.538 175.800 -0.004 0.000 1.066 351 F CA -0.974 57.021 58.000 -0.008 0.000 0.941 351 F CB 1.645 40.640 39.000 -0.009 0.000 1.291 351 F HN 0.248 nan 8.300 nan 0.000 0.472 352 S N 2.040 117.767 115.700 0.045 0.000 2.596 352 S HA 0.644 5.114 4.470 0.000 0.000 0.270 352 S C -1.574 173.084 174.600 0.098 0.000 1.155 352 S CA -1.116 57.039 58.200 -0.075 0.000 0.827 352 S CB 1.372 64.516 63.200 -0.093 0.000 1.130 352 S HN 0.936 nan 8.310 nan 0.000 0.467 353 L N 2.033 123.286 121.223 0.051 0.000 2.367 353 L HA 0.504 4.845 4.340 0.000 0.000 0.275 353 L C 0.086 176.980 176.870 0.040 0.000 1.129 353 L CA -0.219 54.663 54.840 0.070 0.000 0.839 353 L CB 0.459 42.548 42.059 0.050 0.000 1.133 353 L HN 0.696 nan 8.230 nan 0.000 0.453 354 E N 2.944 123.170 120.200 0.043 0.000 2.227 354 E HA 0.350 4.700 4.350 0.000 0.000 0.268 354 E C -0.867 175.744 176.600 0.019 0.000 0.907 354 E CA -0.807 55.609 56.400 0.027 0.000 0.786 354 E CB 2.072 31.790 29.700 0.030 0.000 1.191 354 E HN 0.466 nan 8.360 nan 0.000 0.411 355 Q N 0.262 120.069 119.800 0.012 0.000 2.373 355 Q HA 0.519 4.860 4.340 0.000 0.000 0.255 355 Q C -0.709 175.295 176.000 0.007 0.000 0.980 355 Q CA 0.001 55.809 55.803 0.008 0.000 0.882 355 Q CB 1.066 29.806 28.738 0.004 0.000 1.249 355 Q HN 0.585 nan 8.270 nan 0.000 0.438 356 A N 1.350 124.173 122.820 0.004 0.000 2.601 356 A HA 0.652 4.972 4.320 0.000 0.000 0.291 356 A C -1.692 175.891 177.584 -0.003 0.000 1.075 356 A CA -0.603 51.435 52.037 0.001 0.000 0.671 356 A CB 1.389 20.391 19.000 0.002 0.000 1.277 356 A HN 0.400 nan 8.150 nan 0.000 0.417 357 V N 0.609 120.520 119.914 -0.005 0.000 2.531 357 V HA 0.697 4.817 4.120 0.000 0.000 0.301 357 V C 0.678 176.764 176.094 -0.012 0.000 1.034 357 V CA -0.062 62.233 62.300 -0.008 0.000 0.865 357 V CB 1.716 33.535 31.823 -0.006 0.000 0.995 357 V HN 1.450 nan 8.190 nan 0.000 0.424 358 G N 4.458 113.247 108.800 -0.018 0.000 2.356 358 G HA2 0.754 4.714 3.960 0.000 0.000 0.298 358 G HA3 0.754 4.714 3.960 0.000 0.000 0.298 358 G C -0.869 174.016 174.900 -0.025 0.000 1.145 358 G CA -0.384 44.701 45.100 -0.024 0.000 0.850 358 G HN 0.602 nan 8.290 nan 0.000 0.487 359 I N 1.076 121.632 120.570 -0.023 0.000 2.569 359 I HA 0.545 4.715 4.170 0.000 0.000 0.290 359 I C 0.146 176.250 176.117 -0.022 0.000 1.088 359 I CA -0.916 60.373 61.300 -0.019 0.000 1.047 359 I CB 2.322 40.317 38.000 -0.009 0.000 1.237 359 I HN 0.600 nan 8.210 nan 0.000 0.421 360 A N 4.048 126.854 122.820 -0.024 0.000 2.337 360 A HA 0.920 5.241 4.320 0.000 0.000 0.331 360 A C -0.496 177.086 177.584 -0.003 0.000 1.137 360 A CA -0.494 51.533 52.037 -0.018 0.000 0.807 360 A CB 1.446 20.426 19.000 -0.033 0.000 1.250 360 A HN 0.703 nan 8.150 nan 0.000 0.468 361 S N 1.344 117.049 115.700 0.007 0.000 2.536 361 S HA 0.740 5.210 4.470 0.000 0.000 0.287 361 S C -0.679 173.935 174.600 0.023 0.000 1.101 361 S CA -0.614 57.596 58.200 0.017 0.000 0.950 361 S CB 1.637 64.849 63.200 0.021 0.000 1.056 361 S HN 0.874 nan 8.310 nan 0.000 0.481 362 M N 3.765 123.383 119.600 0.028 0.000 2.093 362 M HA 0.452 4.932 4.480 0.000 0.000 0.297 362 M C -1.808 174.510 176.300 0.030 0.000 0.938 362 M CA -0.731 54.589 55.300 0.033 0.000 0.920 362 M CB 1.489 34.117 32.600 0.047 0.000 1.517 362 M HN 0.776 nan 8.290 nan 0.000 0.427 363 V N 6.831 126.757 119.914 0.021 0.000 2.347 363 V HA 0.486 4.606 4.120 0.000 0.000 0.280 363 V C -0.686 175.410 176.094 0.003 0.000 1.021 363 V CA -0.468 61.840 62.300 0.015 0.000 0.847 363 V CB 1.447 33.270 31.823 -0.001 0.000 0.990 363 V HN 0.946 nan 8.190 nan 0.000 0.444 364 K N 5.227 125.627 120.400 0.000 0.000 2.234 364 K HA 0.479 4.799 4.320 0.000 0.000 0.277 364 K C 0.185 176.777 176.600 -0.014 0.000 1.038 364 K CA -0.203 56.069 56.287 -0.026 0.000 0.888 364 K CB 1.337 33.797 32.500 -0.067 0.000 1.091 364 K HN 0.809 nan 8.250 nan 0.000 0.467 365 S N 2.289 117.978 115.700 -0.020 0.000 2.641 365 S HA 0.117 4.587 4.470 0.000 0.000 0.261 365 S C 0.172 174.767 174.600 -0.009 0.000 1.257 365 S CA -0.176 58.017 58.200 -0.012 0.000 0.983 365 S CB 0.787 63.978 63.200 -0.015 0.000 0.990 365 S HN 0.802 nan 8.310 nan 0.000 0.572 366 D N -0.618 119.782 120.400 0.000 0.000 2.490 366 D HA 0.097 4.737 4.640 0.000 0.000 0.246 366 D C 0.093 176.396 176.300 0.005 0.000 1.196 366 D CA -0.064 53.939 54.000 0.005 0.000 0.812 366 D CB 0.303 41.117 40.800 0.022 0.000 1.191 366 D HN 0.677 nan 8.370 nan 0.000 0.531 367 R N 1.794 122.296 120.500 0.003 0.000 4.164 367 R HA 0.128 4.468 4.340 0.000 0.000 0.195 367 R C -0.102 176.201 176.300 0.004 0.000 1.712 367 R CA -0.421 55.681 56.100 0.004 0.000 1.457 367 R CB -0.427 29.874 30.300 0.002 0.000 1.387 367 R HN -0.154 nan 8.270 nan 0.000 0.785 368 L N 3.785 125.011 121.223 0.004 0.000 3.783 368 L HA -0.100 4.240 4.340 0.000 0.000 0.267 368 L C 0.732 177.606 176.870 0.007 0.000 1.502 368 L CA 1.063 55.906 54.840 0.005 0.000 1.111 368 L CB -1.372 40.691 42.059 0.006 0.000 1.424 368 L HN 0.650 nan 8.230 nan 0.000 0.439 369 Q N -1.510 118.294 119.800 0.007 0.000 2.404 369 Q HA 0.068 4.408 4.340 0.000 0.000 0.272 369 Q C 1.387 177.392 176.000 0.007 0.000 0.939 369 Q CA 0.074 55.881 55.803 0.007 0.000 0.945 369 Q CB 0.336 29.078 28.738 0.006 0.000 1.195 369 Q HN 0.287 nan 8.270 nan 0.000 0.415 370 M N 0.591 120.196 119.600 0.008 0.000 2.080 370 M HA -0.164 4.316 4.480 0.000 0.000 0.260 370 M C 1.997 178.300 176.300 0.005 0.000 1.068 370 M CA 1.909 57.213 55.300 0.008 0.000 1.109 370 M CB -1.175 31.431 32.600 0.010 0.000 1.342 370 M HN 0.664 nan 8.290 nan 0.000 0.405 371 A N 0.071 122.895 122.820 0.006 0.000 1.892 371 A HA -0.277 4.044 4.320 0.000 0.000 0.218 371 A C 2.245 179.830 177.584 0.001 0.000 1.188 371 A CA 2.343 54.382 52.037 0.004 0.000 0.631 371 A CB -0.863 18.141 19.000 0.006 0.000 0.822 371 A HN 0.556 nan 8.150 nan 0.000 0.447 372 M N -0.089 119.512 119.600 0.002 0.000 2.128 372 M HA -0.230 4.251 4.480 0.000 0.000 0.253 372 M C 1.731 178.029 176.300 -0.004 0.000 1.079 372 M CA 2.252 57.552 55.300 0.000 0.000 1.082 372 M CB -0.512 32.089 32.600 0.003 0.000 1.335 372 M HN 0.452 nan 8.290 nan 0.000 0.401 373 I N -0.399 120.169 120.570 -0.003 0.000 2.235 373 I HA -0.140 4.030 4.170 0.000 0.000 0.241 373 I C 2.582 178.689 176.117 -0.016 0.000 1.085 373 I CA 0.906 62.201 61.300 -0.009 0.000 1.378 373 I CB -0.921 37.077 38.000 -0.003 0.000 1.076 373 I HN 0.439 nan 8.210 nan 0.000 0.415 374 A N 0.979 123.793 122.820 -0.011 0.000 1.958 374 A HA -0.278 4.042 4.320 0.000 0.000 0.221 374 A C 2.374 179.947 177.584 -0.018 0.000 1.178 374 A CA 1.961 53.990 52.037 -0.015 0.000 0.642 374 A CB -0.714 18.282 19.000 -0.008 0.000 0.816 374 A HN 0.309 nan 8.150 nan 0.000 0.453 375 R N -0.945 119.546 120.500 -0.014 0.000 2.120 375 R HA -0.139 4.201 4.340 0.000 0.000 0.234 375 R C 2.223 178.508 176.300 -0.025 0.000 1.123 375 R CA 1.591 57.681 56.100 -0.016 0.000 0.975 375 R CB -0.182 30.112 30.300 -0.010 0.000 0.866 375 R HN 0.762 nan 8.270 nan 0.000 0.446 376 E N 0.468 120.650 120.200 -0.030 0.000 2.106 376 E HA -0.131 4.219 4.350 0.000 0.000 0.192 376 E C 1.641 178.205 176.600 -0.060 0.000 0.984 376 E CA 1.099 57.471 56.400 -0.046 0.000 0.806 376 E CB -0.010 29.659 29.700 -0.051 0.000 0.750 376 E HN 0.276 nan 8.360 nan 0.000 0.458 377 I N 0.819 121.357 120.570 -0.054 0.000 2.133 377 I HA -0.249 3.921 4.170 0.000 0.000 0.238 377 I C 2.350 178.438 176.117 -0.049 0.000 1.074 377 I CA 1.464 62.729 61.300 -0.058 0.000 1.342 377 I CB -0.400 37.572 38.000 -0.048 0.000 1.053 377 I HN 0.206 nan 8.210 nan 0.000 0.404 378 E N 0.217 120.395 120.200 -0.036 0.000 2.114 378 E HA -0.347 4.004 4.350 0.000 0.000 0.199 378 E C 2.096 178.678 176.600 -0.029 0.000 1.008 378 E CA 1.690 58.073 56.400 -0.029 0.000 0.810 378 E CB -0.147 29.541 29.700 -0.020 0.000 0.739 378 E HN 0.373 nan 8.360 nan 0.000 0.456 379 Q N 1.084 120.865 119.800 -0.032 0.000 2.123 379 Q HA -0.094 4.246 4.340 0.000 0.000 0.199 379 Q C 1.714 177.691 176.000 -0.039 0.000 0.966 379 Q CA 1.487 57.272 55.803 -0.031 0.000 0.845 379 Q CB 0.124 28.844 28.738 -0.030 0.000 0.907 379 Q HN 0.038 nan 8.270 nan 0.000 0.439 380 K N -0.734 119.634 120.400 -0.053 0.000 2.007 380 K HA 0.041 4.361 4.320 0.000 0.000 0.206 380 K C 1.746 178.313 176.600 -0.055 0.000 1.047 380 K CA 1.181 57.429 56.287 -0.065 0.000 0.937 380 K CB 0.012 32.454 32.500 -0.097 0.000 0.718 380 K HN 0.206 nan 8.250 nan 0.000 0.438 381 L N 0.424 121.616 121.223 -0.052 0.000 2.446 381 L HA 0.020 4.360 4.340 0.000 0.000 0.219 381 L C 0.383 177.233 176.870 -0.034 0.000 1.116 381 L CA -0.078 54.735 54.840 -0.045 0.000 0.844 381 L CB -0.177 41.853 42.059 -0.047 0.000 0.970 381 L HN 0.384 nan 8.230 nan 0.000 0.457 382 N N 1.239 119.922 118.700 -0.030 0.000 2.738 382 N HA -0.227 4.514 4.740 0.000 0.000 0.249 382 N C -0.806 174.694 175.510 -0.017 0.000 1.047 382 N CA 0.629 53.667 53.050 -0.020 0.000 0.707 382 N CB -1.279 37.197 38.487 -0.017 0.000 0.937 382 N HN 0.356 nan 8.380 nan 0.000 0.545 383 I N -0.527 120.031 120.570 -0.021 0.000 2.828 383 I HA 0.270 4.440 4.170 0.000 0.000 0.302 383 I C -0.113 175.992 176.117 -0.019 0.000 1.101 383 I CA -1.061 60.228 61.300 -0.019 0.000 1.031 383 I CB 1.464 39.448 38.000 -0.027 0.000 1.231 383 I HN -0.130 nan 8.210 nan 0.000 0.427 384 D N 3.838 124.230 120.400 -0.013 0.000 2.363 384 D HA 0.187 4.827 4.640 0.000 0.000 0.263 384 D C -0.443 175.842 176.300 -0.026 0.000 1.258 384 D CA 0.271 54.265 54.000 -0.011 0.000 0.907 384 D CB 0.987 41.789 40.800 0.004 0.000 1.107 384 D HN 0.016 nan 8.370 nan 0.000 0.495 385 V N 3.539 123.439 119.914 -0.023 0.000 2.465 385 V HA 0.225 4.346 4.120 0.000 0.000 0.279 385 V C 0.412 176.495 176.094 -0.018 0.000 1.045 385 V CA -0.410 61.872 62.300 -0.030 0.000 0.938 385 V CB 1.410 33.218 31.823 -0.026 0.000 0.986 385 V HN 0.440 nan 8.190 nan 0.000 0.467 386 Q N 3.634 123.418 119.800 -0.027 0.000 2.359 386 Q HA 0.694 5.034 4.340 0.000 0.000 0.275 386 Q C -1.322 174.676 176.000 -0.002 0.000 1.082 386 Q CA -0.810 54.992 55.803 -0.003 0.000 0.849 386 Q CB 2.237 30.977 28.738 0.004 0.000 1.377 386 Q HN 0.710 nan 8.270 nan 0.000 0.452 387 I N 2.704 123.286 120.570 0.019 0.000 2.563 387 I HA 0.342 4.512 4.170 0.000 0.000 0.276 387 I C 0.503 176.642 176.117 0.037 0.000 1.074 387 I CA -0.716 60.596 61.300 0.020 0.000 1.124 387 I CB 1.250 39.261 38.000 0.018 0.000 1.225 387 I HN 0.751 nan 8.210 nan 0.000 0.482 388 G N 3.628 112.453 108.800 0.042 0.000 2.661 388 G HA2 0.322 4.282 3.960 0.000 0.000 0.272 388 G HA3 0.322 4.282 3.960 0.000 0.000 0.272 388 G C 0.734 175.665 174.900 0.051 0.000 1.296 388 G CA 0.181 45.319 45.100 0.063 0.000 0.998 388 G HN 0.615 nan 8.290 nan 0.000 0.553 389 G N -0.682 108.150 108.800 0.054 0.000 2.393 389 G HA2 0.500 4.460 3.960 0.000 0.000 0.268 389 G HA3 0.500 4.460 3.960 0.000 0.000 0.268 389 G C 0.681 175.604 174.900 0.038 0.000 1.472 389 G CA 0.358 45.484 45.100 0.043 0.000 1.059 389 G HN 1.259 nan 8.290 nan 0.000 0.555 390 A N -1.139 121.702 122.820 0.035 0.000 2.477 390 A HA 0.335 4.655 4.320 0.000 0.000 0.246 390 A C 1.268 178.876 177.584 0.040 0.000 1.078 390 A CA 0.675 52.734 52.037 0.036 0.000 0.770 390 A CB 0.243 19.264 19.000 0.035 0.000 1.011 390 A HN 0.819 nan 8.150 nan 0.000 0.494 391 E N 2.419 122.647 120.200 0.047 0.000 2.273 391 E HA -0.192 4.158 4.350 0.000 0.000 0.198 391 E C 1.682 178.309 176.600 0.046 0.000 1.002 391 E CA 1.596 58.026 56.400 0.049 0.000 0.828 391 E CB -0.131 29.608 29.700 0.065 0.000 0.747 391 E HN 0.804 nan 8.360 nan 0.000 0.491 392 A N 0.249 123.097 122.820 0.048 0.000 2.209 392 A HA -0.106 4.214 4.320 0.000 0.000 0.212 392 A C 1.834 179.434 177.584 0.027 0.000 1.158 392 A CA 0.793 52.853 52.037 0.039 0.000 0.742 392 A CB -0.161 18.865 19.000 0.044 0.000 0.790 392 A HN 0.232 nan 8.150 nan 0.000 0.472 393 E N -0.299 119.917 120.200 0.028 0.000 2.065 393 E HA 0.051 4.401 4.350 0.000 0.000 0.191 393 E C 2.483 179.095 176.600 0.021 0.000 0.960 393 E CA 0.843 57.256 56.400 0.022 0.000 0.824 393 E CB -0.345 29.371 29.700 0.026 0.000 0.793 393 E HN 0.472 nan 8.360 nan 0.000 0.459 394 A N 2.143 124.979 122.820 0.027 0.000 1.884 394 A HA -0.256 4.064 4.320 0.000 0.000 0.219 394 A C 2.413 180.007 177.584 0.016 0.000 1.197 394 A CA 2.647 54.699 52.037 0.025 0.000 0.637 394 A CB -0.988 18.029 19.000 0.028 0.000 0.827 394 A HN 0.312 nan 8.150 nan 0.000 0.450 395 A N 0.154 122.983 122.820 0.015 0.000 1.863 395 A HA -0.250 4.071 4.320 0.000 0.000 0.218 395 A C 2.127 179.712 177.584 0.002 0.000 1.233 395 A CA 2.023 54.064 52.037 0.007 0.000 0.655 395 A CB -1.001 18.002 19.000 0.005 0.000 0.839 395 A HN 0.558 nan 8.150 nan 0.000 0.454 396 I N -0.282 120.290 120.570 0.003 0.000 2.194 396 I HA -0.305 3.865 4.170 0.000 0.000 0.246 396 I C 2.519 178.632 176.117 -0.007 0.000 1.093 396 I CA 1.471 62.769 61.300 -0.002 0.000 1.355 396 I CB -0.633 37.367 38.000 0.001 0.000 1.046 396 I HN 0.366 nan 8.210 nan 0.000 0.413 397 L N 0.503 121.725 121.223 -0.002 0.000 1.970 397 L HA -0.166 4.174 4.340 0.000 0.000 0.212 397 L C 2.779 179.643 176.870 -0.010 0.000 1.071 397 L CA 1.942 56.779 54.840 -0.005 0.000 0.751 397 L CB -1.440 40.623 42.059 0.007 0.000 0.889 397 L HN 0.307 nan 8.230 nan 0.000 0.432 398 G N -0.589 108.209 108.800 -0.005 0.000 2.450 398 G HA2 -0.245 3.716 3.960 0.000 0.000 0.220 398 G HA3 -0.245 3.716 3.960 0.000 0.000 0.220 398 G C 1.755 176.644 174.900 -0.018 0.000 1.130 398 G CA 0.848 45.943 45.100 -0.009 0.000 0.760 398 G HN 0.493 nan 8.290 nan 0.000 0.557 399 A N 0.548 123.358 122.820 -0.018 0.000 1.940 399 A HA 0.043 4.364 4.320 0.000 0.000 0.219 399 A C 2.298 179.856 177.584 -0.042 0.000 1.176 399 A CA 1.293 53.315 52.037 -0.024 0.000 0.631 399 A CB -0.348 18.641 19.000 -0.018 0.000 0.814 399 A HN 0.367 nan 8.150 nan 0.000 0.446 400 L N 0.190 121.385 121.223 -0.047 0.000 2.552 400 L HA -0.054 4.286 4.340 0.000 0.000 0.227 400 L C 2.345 179.173 176.870 -0.069 0.000 1.146 400 L CA 1.279 56.075 54.840 -0.073 0.000 0.858 400 L CB -0.328 41.692 42.059 -0.065 0.000 0.969 400 L HN 0.584 nan 8.230 nan 0.000 0.451 401 T N -4.885 109.640 114.554 -0.049 0.000 3.160 401 T HA -0.009 4.342 4.350 0.000 0.000 0.257 401 T C 0.834 175.507 174.700 -0.046 0.000 1.147 401 T CA 0.001 62.076 62.100 -0.043 0.000 1.064 401 T CB -0.665 68.185 68.868 -0.030 0.000 0.949 401 T HN 0.053 nan 8.240 nan 0.000 0.526 402 T N 5.541 120.061 114.554 -0.056 0.000 2.761 402 T HA 0.329 4.679 4.350 0.000 0.000 0.296 402 T C -2.552 172.105 174.700 -0.071 0.000 0.934 402 T CA -1.231 60.837 62.100 -0.054 0.000 1.091 402 T CB 1.069 69.907 68.868 -0.050 0.000 0.896 402 T HN 0.220 nan 8.240 nan 0.000 0.515 403 P HA 0.098 nan 4.420 nan 0.000 0.258 403 P C 0.861 178.125 177.300 -0.060 0.000 1.172 403 P CA 0.579 63.650 63.100 -0.048 0.000 0.762 403 P CB 0.113 31.798 31.700 -0.025 0.000 0.764 404 G N 1.891 110.636 108.800 -0.092 0.000 2.131 404 G HA2 -0.185 3.776 3.960 0.000 0.000 0.223 404 G HA3 -0.185 3.776 3.960 0.000 0.000 0.223 404 G C 0.203 174.905 174.900 -0.330 0.000 0.990 404 G CA 0.214 45.252 45.100 -0.102 0.000 0.671 404 G HN 0.875 nan 8.290 nan 0.000 0.521 405 T N -2.424 111.868 114.554 -0.437 0.000 2.944 405 T HA 0.839 5.189 4.350 0.000 0.000 0.284 405 T C -0.143 174.153 174.700 -0.674 0.000 1.010 405 T CA 0.429 62.030 62.100 -0.832 0.000 1.025 405 T CB 3.051 71.656 68.868 -0.437 0.000 1.079 405 T HN 1.412 nan 8.240 nan 0.000 0.516 406 T N -0.354 113.753 114.554 -0.746 0.000 2.686 406 T HA 0.391 4.742 4.350 0.000 0.000 0.308 406 T C -1.366 173.263 174.700 -0.119 0.000 1.667 406 T CA -0.916 61.005 62.100 -0.299 0.000 0.987 406 T CB 1.153 69.910 68.868 -0.184 0.000 1.652 406 T HN 0.823 nan 8.240 nan 0.000 0.496 407 R N 1.914 122.396 120.500 -0.030 0.000 2.539 407 R HA 0.476 4.817 4.340 0.000 0.000 0.275 407 R C -2.080 174.269 176.300 0.082 0.000 1.077 407 R CA -1.340 54.777 56.100 0.027 0.000 1.097 407 R CB 0.291 30.598 30.300 0.011 0.000 1.018 407 R HN 0.434 nan 8.270 nan 0.000 0.483 408 P HA 0.179 nan 4.420 nan 0.000 0.285 408 P C -1.144 176.227 177.300 0.119 0.000 1.259 408 P CA -0.325 62.822 63.100 0.077 0.000 0.794 408 P CB 1.057 32.791 31.700 0.058 0.000 0.940 409 L N 2.241 123.512 121.223 0.081 0.000 2.354 409 L HA 0.822 5.162 4.340 0.000 0.000 0.269 409 L C -0.975 175.933 176.870 0.063 0.000 1.005 409 L CA -0.733 54.167 54.840 0.099 0.000 0.819 409 L CB 1.963 44.043 42.059 0.034 0.000 1.311 409 L HN 0.489 nan 8.230 nan 0.000 0.423 410 A N 4.118 126.981 122.820 0.071 0.000 2.401 410 A HA 0.821 5.141 4.320 0.000 0.000 0.310 410 A C -1.233 176.369 177.584 0.029 0.000 1.075 410 A CA -0.517 51.542 52.037 0.037 0.000 0.746 410 A CB 1.485 20.501 19.000 0.027 0.000 1.277 410 A HN 0.625 nan 8.150 nan 0.000 0.425 411 I N -0.703 119.871 120.570 0.008 0.000 2.608 411 I HA 0.690 4.861 4.170 0.000 0.000 0.295 411 I C -1.008 175.099 176.117 -0.017 0.000 1.049 411 I CA -0.673 60.626 61.300 -0.001 0.000 1.063 411 I CB 1.607 39.603 38.000 -0.006 0.000 1.248 411 I HN 0.435 nan 8.210 nan 0.000 0.424 412 L N 4.279 125.492 121.223 -0.017 0.000 2.322 412 L HA 0.494 4.835 4.340 0.000 0.000 0.281 412 L C -0.444 176.409 176.870 -0.028 0.000 1.014 412 L CA -0.542 54.285 54.840 -0.022 0.000 0.815 412 L CB 1.558 43.613 42.059 -0.007 0.000 1.247 412 L HN 0.733 nan 8.230 nan 0.000 0.421 413 D N 5.203 125.586 120.400 -0.029 0.000 2.313 413 D HA 0.248 4.888 4.640 0.000 0.000 0.239 413 D C -0.719 175.586 176.300 0.009 0.000 1.142 413 D CA -0.376 53.613 54.000 -0.018 0.000 0.847 413 D CB 1.158 41.949 40.800 -0.015 0.000 1.082 413 D HN 0.407 nan 8.370 nan 0.000 0.480 414 L N 4.479 125.690 121.223 -0.019 0.000 2.288 414 L HA 0.440 4.780 4.340 0.000 0.000 0.283 414 L C 1.095 177.994 176.870 0.049 0.000 1.072 414 L CA -0.740 54.104 54.840 0.006 0.000 0.862 414 L CB 1.158 43.030 42.059 -0.311 0.000 1.245 414 L HN 0.360 nan 8.230 nan 0.000 0.432 415 G N 1.184 110.059 108.800 0.126 0.000 2.890 415 G HA2 0.583 4.544 3.960 0.000 0.000 0.189 415 G HA3 0.583 4.544 3.960 0.000 0.000 0.189 415 G C 0.588 175.579 174.900 0.152 0.000 1.342 415 G CA 0.348 45.511 45.100 0.105 0.000 1.026 415 G HN 0.513 nan 8.290 nan 0.000 0.579 416 A N -1.407 121.472 122.820 0.099 0.000 1.963 416 A HA 0.406 4.726 4.320 0.000 0.000 0.207 416 A C 2.344 179.960 177.584 0.053 0.000 1.243 416 A CA 1.622 53.708 52.037 0.081 0.000 0.728 416 A CB -0.705 18.324 19.000 0.049 0.000 0.895 416 A HN 0.917 nan 8.150 nan 0.000 0.467 417 G N 0.040 108.871 108.800 0.051 0.000 2.414 417 G HA2 0.195 4.155 3.960 0.000 0.000 0.215 417 G HA3 0.195 4.155 3.960 0.000 0.000 0.215 417 G C 0.850 175.776 174.900 0.043 0.000 1.188 417 G CA 1.531 46.655 45.100 0.041 0.000 0.783 417 G HN 1.093 nan 8.290 nan 0.000 0.537 418 S N -1.856 113.883 115.700 0.066 0.000 2.638 418 S HA 0.575 5.045 4.470 0.000 0.000 0.274 418 S C -1.024 173.630 174.600 0.090 0.000 1.157 418 S CA -0.584 57.658 58.200 0.069 0.000 0.826 418 S CB 1.866 65.120 63.200 0.090 0.000 1.139 418 S HN 0.169 nan 8.310 nan 0.000 0.474 419 T N 1.571 116.172 114.554 0.078 0.000 2.947 419 T HA 0.468 4.819 4.350 0.000 0.000 0.337 419 T C -1.269 173.432 174.700 0.002 0.000 1.139 419 T CA -0.709 61.443 62.100 0.086 0.000 0.992 419 T CB 0.060 69.007 68.868 0.131 0.000 1.043 419 T HN 0.528 nan 8.240 nan 0.000 0.498 420 D N 2.557 122.920 120.400 -0.061 0.000 2.302 420 D HA 0.525 5.166 4.640 0.000 0.000 0.248 420 D C -0.178 176.005 176.300 -0.194 0.000 1.094 420 D CA -0.288 53.559 54.000 -0.256 0.000 0.897 420 D CB 1.307 41.912 40.800 -0.326 0.000 1.200 420 D HN 0.668 nan 8.370 nan 0.000 0.429 421 A N 1.267 123.942 122.820 -0.241 0.000 2.343 421 A HA 0.566 4.886 4.320 0.000 0.000 0.308 421 A C -0.494 177.021 177.584 -0.116 0.000 1.092 421 A CA -0.652 51.310 52.037 -0.123 0.000 0.751 421 A CB 1.042 20.002 19.000 -0.068 0.000 1.203 421 A HN 0.330 nan 8.150 nan 0.000 0.452 422 S N 1.122 116.782 115.700 -0.067 0.000 2.473 422 S HA 0.733 5.204 4.470 0.000 0.000 0.307 422 S C -0.795 173.799 174.600 -0.011 0.000 1.094 422 S CA -0.363 57.819 58.200 -0.030 0.000 1.070 422 S CB 1.244 64.433 63.200 -0.019 0.000 1.019 422 S HN 1.080 nan 8.310 nan 0.000 0.480 423 I N 2.832 123.402 120.570 0.001 0.000 2.644 423 I HA 0.575 4.745 4.170 0.000 0.000 0.291 423 I C -1.547 174.578 176.117 0.013 0.000 1.180 423 I CA -0.806 60.498 61.300 0.008 0.000 1.040 423 I CB 1.419 39.423 38.000 0.006 0.000 1.255 423 I HN 0.745 nan 8.210 nan 0.000 0.422 424 I N 7.180 127.759 120.570 0.016 0.000 2.339 424 I HA 0.454 4.624 4.170 0.000 0.000 0.290 424 I C -0.086 176.043 176.117 0.019 0.000 0.994 424 I CA -0.407 60.902 61.300 0.016 0.000 1.191 424 I CB 0.604 38.612 38.000 0.012 0.000 1.343 424 I HN 0.656 nan 8.210 nan 0.000 0.458 425 N N 9.032 127.742 118.700 0.016 0.000 2.294 425 N HA 0.227 4.967 4.740 0.000 0.000 0.248 425 N C -1.682 173.839 175.510 0.019 0.000 1.300 425 N CA -1.398 51.661 53.050 0.016 0.000 0.925 425 N CB 0.485 38.979 38.487 0.012 0.000 1.188 425 N HN 0.430 nan 8.380 nan 0.000 0.512 426 P HA -0.096 nan 4.420 nan 0.000 0.221 426 P C 0.057 177.368 177.300 0.017 0.000 1.145 426 P CA 1.844 64.955 63.100 0.019 0.000 0.795 426 P CB 0.413 32.122 31.700 0.015 0.000 0.775 427 K N -1.436 118.973 120.400 0.013 0.000 2.262 427 K HA 0.402 4.722 4.320 0.000 0.000 0.200 427 K C 1.518 178.124 176.600 0.010 0.000 1.058 427 K CA 0.973 57.266 56.287 0.011 0.000 0.974 427 K CB -0.110 32.395 32.500 0.009 0.000 0.910 427 K HN 0.128 nan 8.250 nan 0.000 0.484 428 G N 0.725 109.531 108.800 0.010 0.000 3.136 428 G HA2 -0.104 3.856 3.960 0.000 0.000 0.221 428 G HA3 -0.104 3.856 3.960 0.000 0.000 0.221 428 G C -1.378 173.527 174.900 0.009 0.000 0.961 428 G CA -0.648 44.457 45.100 0.009 0.000 0.983 428 G HN 0.082 nan 8.290 nan 0.000 0.648 429 D N 1.723 122.130 120.400 0.011 0.000 2.336 429 D HA 0.257 4.897 4.640 0.000 0.000 0.249 429 D C 0.477 176.785 176.300 0.013 0.000 1.213 429 D CA -0.018 53.989 54.000 0.011 0.000 0.870 429 D CB 0.804 41.611 40.800 0.011 0.000 1.076 429 D HN 0.025 nan 8.370 nan 0.000 0.483 430 I N 5.479 126.058 120.570 0.014 0.000 2.363 430 I HA 0.173 4.343 4.170 0.000 0.000 0.292 430 I C 0.309 176.439 176.117 0.022 0.000 1.075 430 I CA -0.271 61.039 61.300 0.017 0.000 1.333 430 I CB 0.221 38.231 38.000 0.018 0.000 1.415 430 I HN 0.145 nan 8.210 nan 0.000 0.502 431 I N 5.402 125.986 120.570 0.022 0.000 2.498 431 I HA 0.599 4.770 4.170 0.000 0.000 0.290 431 I C 0.273 176.410 176.117 0.033 0.000 1.032 431 I CA -0.786 60.531 61.300 0.029 0.000 1.073 431 I CB 1.675 39.688 38.000 0.023 0.000 1.251 431 I HN 0.527 nan 8.210 nan 0.000 0.426 432 A N 4.407 127.262 122.820 0.058 0.000 2.355 432 A HA 0.958 5.278 4.320 0.000 0.000 0.324 432 A C -0.170 177.487 177.584 0.121 0.000 1.117 432 A CA -0.405 51.676 52.037 0.074 0.000 0.785 432 A CB 1.604 20.689 19.000 0.142 0.000 1.254 432 A HN 0.809 nan 8.150 nan 0.000 0.453 433 T N -0.992 113.597 114.554 0.058 0.000 2.868 433 T HA 0.727 5.077 4.350 0.000 0.000 0.306 433 T C -1.326 173.378 174.700 0.007 0.000 1.224 433 T CA -0.687 61.509 62.100 0.159 0.000 1.012 433 T CB 1.352 70.258 68.868 0.064 0.000 1.221 433 T HN 0.696 nan 8.240 nan 0.000 0.499 434 H N 0.377 119.460 119.070 0.020 0.000 2.782 434 H HA 0.728 5.284 4.556 0.000 0.000 0.347 434 H C -1.189 174.151 175.328 0.021 0.000 1.038 434 H CA -0.752 55.311 56.048 0.024 0.000 1.255 434 H CB 1.226 31.003 29.762 0.024 0.000 1.623 434 H HN 0.491 nan 8.280 nan 0.000 0.525 435 L N 1.643 122.923 121.223 0.096 0.000 2.346 435 L HA 0.738 5.078 4.340 0.000 0.000 0.274 435 L C 0.445 177.344 176.870 0.048 0.000 1.007 435 L CA -0.846 54.030 54.840 0.060 0.000 0.818 435 L CB 1.684 43.762 42.059 0.031 0.000 1.284 435 L HN 0.798 nan 8.230 nan 0.000 0.424 436 A N 1.412 124.252 122.820 0.032 0.000 2.407 436 A HA 0.678 4.998 4.320 0.000 0.000 0.248 436 A C 0.559 178.131 177.584 -0.019 0.000 1.082 436 A CA 0.417 52.462 52.037 0.015 0.000 0.785 436 A CB -0.062 18.945 19.000 0.012 0.000 1.020 436 A HN 1.310 nan 8.150 nan 0.000 0.489 437 G N -0.257 108.520 108.800 -0.038 0.000 3.445 437 G HA2 0.548 4.508 3.960 0.000 0.000 0.686 437 G HA3 0.548 4.508 3.960 0.000 0.000 0.686 437 G C -0.351 174.445 174.900 -0.173 0.000 1.113 437 G CA 0.051 45.088 45.100 -0.105 0.000 0.974 437 G HN 2.373 nan 8.290 nan 0.000 0.492 438 A N 1.392 124.090 122.820 -0.203 0.000 5.168 438 A HA 0.988 5.308 4.320 0.000 0.000 0.202 438 A C 1.959 179.425 177.584 -0.196 0.000 0.857 438 A CA 0.914 52.801 52.037 -0.250 0.000 0.757 438 A CB -0.564 18.502 19.000 0.111 0.000 1.957 438 A HN 2.261 nan 8.150 nan 0.000 0.959 439 G N -0.018 108.886 108.800 0.173 0.000 2.517 439 G HA2 -0.206 3.755 3.960 0.000 0.000 0.222 439 G HA3 -0.206 3.755 3.960 0.000 0.000 0.222 439 G C 0.638 175.560 174.900 0.036 0.000 1.109 439 G CA 1.937 47.148 45.100 0.185 0.000 0.746 439 G HN 0.551 nan 8.290 nan 0.000 0.576 440 D N -0.105 120.292 120.400 -0.006 0.000 2.120 440 D HA 0.018 4.659 4.640 0.000 0.000 0.202 440 D C 2.637 178.904 176.300 -0.054 0.000 0.972 440 D CA 0.289 54.273 54.000 -0.027 0.000 0.837 440 D CB -0.275 40.512 40.800 -0.021 0.000 0.989 440 D HN 0.140 nan 8.370 nan 0.000 0.469 441 M N 0.561 120.109 119.600 -0.087 0.000 2.088 441 M HA -0.178 4.302 4.480 0.000 0.000 0.256 441 M C 2.280 178.522 176.300 -0.097 0.000 1.071 441 M CA 1.126 56.364 55.300 -0.103 0.000 1.097 441 M CB -0.469 32.037 32.600 -0.156 0.000 1.315 441 M HN -0.065 nan 8.290 nan 0.000 0.406 442 V N 0.193 120.034 119.914 -0.122 0.000 2.252 442 V HA -0.313 3.807 4.120 0.000 0.000 0.249 442 V C 2.349 178.424 176.094 -0.030 0.000 1.056 442 V CA 2.500 64.755 62.300 -0.075 0.000 1.022 442 V CB -1.355 30.444 31.823 -0.040 0.000 0.641 442 V HN 0.538 nan 8.190 nan 0.000 0.445 443 T N -0.083 114.460 114.554 -0.019 0.000 2.699 443 T HA -0.327 4.023 4.350 0.000 0.000 0.268 443 T C 1.797 176.486 174.700 -0.019 0.000 1.036 443 T CA 2.333 64.426 62.100 -0.011 0.000 1.147 443 T CB -0.352 68.502 68.868 -0.023 0.000 0.862 443 T HN 0.491 nan 8.240 nan 0.000 0.446 444 M N 0.689 120.271 119.600 -0.030 0.000 2.067 444 M HA -0.072 4.408 4.480 0.000 0.000 0.260 444 M C 2.113 178.399 176.300 -0.023 0.000 1.069 444 M CA 1.799 57.083 55.300 -0.028 0.000 1.117 444 M CB -0.350 32.230 32.600 -0.034 0.000 1.334 444 M HN 0.193 nan 8.290 nan 0.000 0.407 445 I N 0.498 121.051 120.570 -0.029 0.000 2.151 445 I HA -0.356 3.814 4.170 0.000 0.000 0.243 445 I C 2.375 178.485 176.117 -0.012 0.000 1.080 445 I CA 1.614 62.900 61.300 -0.024 0.000 1.339 445 I CB -0.612 37.368 38.000 -0.033 0.000 1.039 445 I HN 0.399 nan 8.210 nan 0.000 0.409 446 I N 0.826 121.391 120.570 -0.007 0.000 2.127 446 I HA -0.331 3.839 4.170 0.000 0.000 0.241 446 I C 2.865 178.984 176.117 0.003 0.000 1.075 446 I CA 1.552 62.855 61.300 0.005 0.000 1.334 446 I CB -0.528 37.482 38.000 0.017 0.000 1.040 446 I HN 0.221 nan 8.210 nan 0.000 0.405 447 A N 0.469 123.288 122.820 -0.001 0.000 1.883 447 A HA -0.279 4.041 4.320 0.000 0.000 0.217 447 A C 2.348 179.927 177.584 -0.008 0.000 1.186 447 A CA 2.134 54.169 52.037 -0.003 0.000 0.624 447 A CB -0.565 18.432 19.000 -0.005 0.000 0.822 447 A HN 0.272 nan 8.150 nan 0.000 0.444 448 R N -0.563 119.930 120.500 -0.010 0.000 2.073 448 R HA -0.003 4.338 4.340 0.000 0.000 0.229 448 R C 2.081 178.376 176.300 -0.008 0.000 1.120 448 R CA 1.684 57.777 56.100 -0.012 0.000 0.967 448 R CB -0.407 29.885 30.300 -0.013 0.000 0.862 448 R HN 0.671 nan 8.270 nan 0.000 0.436 449 E N -0.414 119.785 120.200 -0.003 0.000 2.204 449 E HA -0.080 4.270 4.350 0.000 0.000 0.194 449 E C 1.243 177.847 176.600 0.006 0.000 0.989 449 E CA 0.752 57.155 56.400 0.005 0.000 0.824 449 E CB 0.078 29.781 29.700 0.006 0.000 0.756 449 E HN 0.293 nan 8.360 nan 0.000 0.477 450 L N -0.712 120.510 121.223 -0.001 0.000 2.558 450 L HA 0.163 4.503 4.340 0.000 0.000 0.225 450 L C 0.905 177.759 176.870 -0.028 0.000 1.128 450 L CA 0.254 55.090 54.840 -0.006 0.000 0.868 450 L CB 0.065 42.123 42.059 -0.002 0.000 1.006 450 L HN 0.254 nan 8.230 nan 0.000 0.454 451 G N 1.737 110.518 108.800 -0.031 0.000 2.385 451 G HA2 -0.262 3.698 3.960 0.000 0.000 0.294 451 G HA3 -0.262 3.698 3.960 0.000 0.000 0.294 451 G C -0.769 174.100 174.900 -0.051 0.000 1.070 451 G CA -0.135 44.932 45.100 -0.055 0.000 1.172 451 G HN 0.131 nan 8.290 nan 0.000 0.516 452 L N -0.479 120.725 121.223 -0.032 0.000 2.406 452 L HA 0.695 5.035 4.340 0.000 0.000 0.272 452 L C 0.972 177.834 176.870 -0.015 0.000 0.980 452 L CA -0.677 54.150 54.840 -0.023 0.000 0.831 452 L CB 1.799 43.852 42.059 -0.011 0.000 1.253 452 L HN 0.223 nan 8.230 nan 0.000 0.406 453 E N 1.405 121.596 120.200 -0.014 0.000 2.014 453 E HA -0.082 4.268 4.350 0.000 0.000 0.190 453 E C -0.078 176.529 176.600 0.011 0.000 0.980 453 E CA 0.847 57.243 56.400 -0.007 0.000 0.807 453 E CB 0.065 29.758 29.700 -0.012 0.000 0.770 453 E HN 0.687 nan 8.360 nan 0.000 0.451 454 D N -0.270 120.141 120.400 0.019 0.000 2.520 454 D HA -0.079 4.561 4.640 0.000 0.000 0.243 454 D C 0.498 176.841 176.300 0.072 0.000 1.160 454 D CA 0.344 54.375 54.000 0.053 0.000 0.877 454 D CB 0.613 41.437 40.800 0.040 0.000 1.150 454 D HN -0.086 nan 8.370 nan 0.000 0.494 455 R N 2.524 123.091 120.500 0.112 0.000 2.254 455 R HA 0.094 4.434 4.340 0.000 0.000 0.195 455 R C 1.153 177.479 176.300 0.045 0.000 0.957 455 R CA 0.513 56.646 56.100 0.054 0.000 1.024 455 R CB -0.119 30.184 30.300 0.006 0.000 0.952 455 R HN 0.543 nan 8.270 nan 0.000 0.484 456 Y N -0.621 119.673 120.300 -0.011 0.000 2.314 456 Y HA -0.089 4.461 4.550 0.000 0.000 0.293 456 Y C 1.749 177.636 175.900 -0.021 0.000 1.129 456 Y CA 0.842 58.934 58.100 -0.013 0.000 1.201 456 Y CB -0.162 38.286 38.460 -0.021 0.000 0.999 456 Y HN 0.022 nan 8.280 nan 0.000 0.541 457 L N -0.105 121.201 121.223 0.138 0.000 2.093 457 L HA -0.087 4.254 4.340 0.000 0.000 0.208 457 L C 2.324 179.220 176.870 0.043 0.000 1.085 457 L CA 1.776 56.651 54.840 0.059 0.000 0.755 457 L CB -0.858 41.221 42.059 0.033 0.000 0.904 457 L HN 0.119 nan 8.230 nan 0.000 0.435 458 A N -0.559 122.286 122.820 0.041 0.000 1.858 458 A HA -0.251 4.070 4.320 0.000 0.000 0.216 458 A C 2.221 179.827 177.584 0.037 0.000 1.190 458 A CA 1.623 53.678 52.037 0.029 0.000 0.617 458 A CB -0.846 18.161 19.000 0.013 0.000 0.827 458 A HN 0.512 nan 8.150 nan 0.000 0.443 459 E N 0.251 120.460 120.200 0.015 0.000 2.108 459 E HA -0.256 4.094 4.350 0.000 0.000 0.203 459 E C 1.850 178.499 176.600 0.081 0.000 1.022 459 E CA 2.296 58.707 56.400 0.017 0.000 0.823 459 E CB -0.291 29.370 29.700 -0.065 0.000 0.744 459 E HN 0.743 nan 8.360 nan 0.000 0.456 460 E N -0.340 119.893 120.200 0.055 0.000 2.046 460 E HA -0.084 4.267 4.350 0.000 0.000 0.190 460 E C 2.264 178.938 176.600 0.125 0.000 0.982 460 E CA 1.072 57.483 56.400 0.019 0.000 0.800 460 E CB -0.187 29.438 29.700 -0.126 0.000 0.756 460 E HN 0.347 nan 8.360 nan 0.000 0.449 461 I N 1.526 122.153 120.570 0.095 0.000 2.479 461 I HA -0.333 3.838 4.170 0.000 0.000 0.258 461 I C 2.488 178.712 176.117 0.177 0.000 1.165 461 I CA 1.244 62.619 61.300 0.125 0.000 1.422 461 I CB -0.258 37.787 38.000 0.075 0.000 1.087 461 I HN 0.088 nan 8.210 nan 0.000 0.441 462 K N 1.641 122.146 120.400 0.176 0.000 2.166 462 K HA -0.064 4.257 4.320 0.000 0.000 0.201 462 K C 1.628 178.375 176.600 0.246 0.000 1.052 462 K CA 0.902 57.286 56.287 0.162 0.000 0.969 462 K CB 0.212 32.781 32.500 0.116 0.000 0.761 462 K HN 0.200 nan 8.250 nan 0.000 0.459 463 K N -0.516 120.115 120.400 0.386 0.000 2.358 463 K HA 0.127 4.447 4.320 0.000 0.000 0.200 463 K C -0.654 176.232 176.600 0.476 0.000 1.030 463 K CA -0.056 56.489 56.287 0.430 0.000 1.097 463 K CB 0.632 33.360 32.500 0.379 0.000 0.862 463 K HN 0.056 nan 8.250 nan 0.000 0.534 464 Y N 0.871 121.386 120.300 0.358 0.000 2.524 464 Y HA 0.297 4.847 4.550 0.000 0.000 0.347 464 Y C -2.487 173.521 175.900 0.180 0.000 1.005 464 Y CA -2.712 55.469 58.100 0.135 0.000 1.025 464 Y CB 2.088 40.583 38.460 0.059 0.000 1.275 464 Y HN -0.120 nan 8.280 nan 0.000 0.460 465 P HA 0.356 nan 4.420 nan 0.000 0.278 465 P C -1.177 176.223 177.300 0.166 0.000 1.266 465 P CA -0.338 62.858 63.100 0.161 0.000 0.807 465 P CB 1.526 33.195 31.700 -0.051 0.000 1.094 466 L N -0.344 120.969 121.223 0.150 0.000 2.322 466 L HA 0.875 5.215 4.340 0.000 0.000 0.269 466 L C 0.392 177.300 176.870 0.063 0.000 1.012 466 L CA -1.088 53.811 54.840 0.098 0.000 0.815 466 L CB 1.478 43.584 42.059 0.078 0.000 1.295 466 L HN 0.385 nan 8.230 nan 0.000 0.438 467 A N 1.255 124.067 122.820 -0.014 0.000 2.437 467 A HA 0.848 5.168 4.320 0.000 0.000 0.292 467 A C -1.164 176.356 177.584 -0.105 0.000 1.173 467 A CA -0.547 51.419 52.037 -0.117 0.000 0.785 467 A CB 1.869 20.708 19.000 -0.268 0.000 1.351 467 A HN 0.592 nan 8.150 nan 0.000 0.431 468 K N 0.623 120.938 120.400 -0.142 0.000 2.616 468 K HA 0.495 4.815 4.320 0.000 0.000 0.241 468 K C -1.365 175.106 176.600 -0.213 0.000 0.961 468 K CA -0.309 55.891 56.287 -0.146 0.000 0.942 468 K CB 0.805 33.238 32.500 -0.110 0.000 1.153 468 K HN 0.467 nan 8.250 nan 0.000 0.452 469 V N 4.910 124.680 119.914 -0.240 0.000 2.694 469 V HA -0.002 4.118 4.120 0.000 0.000 0.306 469 V C 0.931 176.763 176.094 -0.438 0.000 1.054 469 V CA 0.717 62.823 62.300 -0.323 0.000 1.161 469 V CB 0.821 32.461 31.823 -0.305 0.000 0.916 469 V HN 0.871 nan 8.190 nan 0.000 0.490 470 E N 1.932 121.774 120.200 -0.597 0.000 2.421 470 E HA 0.145 4.496 4.350 0.000 0.000 0.209 470 E C 0.599 176.871 176.600 -0.547 0.000 0.871 470 E CA 0.576 56.615 56.400 -0.601 0.000 1.064 470 E CB 1.167 30.489 29.700 -0.630 0.000 1.075 470 E HN 0.785 nan 8.360 nan 0.000 0.513 471 S N -0.821 114.552 115.700 -0.544 0.000 2.705 471 S HA 0.308 4.778 4.470 0.000 0.000 0.280 471 S C 0.621 175.198 174.600 -0.038 0.000 1.174 471 S CA -0.721 57.407 58.200 -0.120 0.000 0.823 471 S CB 0.647 63.968 63.200 0.202 0.000 1.162 471 S HN 0.047 nan 8.310 nan 0.000 0.487 472 L N -0.306 120.981 121.223 0.107 0.000 2.353 472 L HA 0.062 4.402 4.340 0.000 0.000 0.220 472 L C 0.898 177.571 176.870 -0.330 0.000 1.133 472 L CA 1.343 56.095 54.840 -0.147 0.000 0.798 472 L CB -0.562 41.275 42.059 -0.369 0.000 0.922 472 L HN 0.612 nan 8.230 nan 0.000 0.445 473 F N -2.144 117.923 119.950 0.194 0.000 2.706 473 F HA 0.187 4.714 4.527 0.000 0.000 0.313 473 F C 0.950 176.990 175.800 0.400 0.000 1.096 473 F CA -0.595 57.587 58.000 0.303 0.000 1.219 473 F CB 0.256 39.439 39.000 0.305 0.000 1.051 473 F HN 0.109 nan 8.300 nan 0.000 0.568 474 H N -0.634 118.560 119.070 0.206 0.000 3.008 474 H HA 0.694 5.250 4.556 0.000 0.000 0.354 474 H C -1.479 173.831 175.328 -0.031 0.000 1.252 474 H CA -1.294 54.736 56.048 -0.029 0.000 1.117 474 H CB 1.654 31.020 29.762 -0.661 0.000 1.857 474 H HN 0.036 nan 8.280 nan 0.000 0.547 475 L N -0.855 120.313 121.223 -0.093 0.000 2.301 475 L HA 0.752 5.092 4.340 0.000 0.000 0.249 475 L C -0.685 176.094 176.870 -0.153 0.000 1.069 475 L CA -1.182 53.537 54.840 -0.202 0.000 0.865 475 L CB 2.038 44.027 42.059 -0.117 0.000 1.467 475 L HN 0.762 nan 8.230 nan 0.000 0.419 476 R N 0.140 120.533 120.500 -0.179 0.000 2.575 476 R HA 0.387 4.727 4.340 0.000 0.000 0.292 476 R C -1.087 175.160 176.300 -0.088 0.000 1.246 476 R CA -0.514 55.538 56.100 -0.080 0.000 0.973 476 R CB 0.490 30.774 30.300 -0.027 0.000 1.187 476 R HN 0.829 nan 8.270 nan 0.000 0.478 477 H N 2.575 121.652 119.070 0.013 0.000 2.929 477 H HA -0.064 4.492 4.556 0.000 0.000 0.358 477 H C 0.792 176.133 175.328 0.020 0.000 1.111 477 H CA 1.064 57.123 56.048 0.018 0.000 1.409 477 H CB 1.040 30.812 29.762 0.017 0.000 1.373 477 H HN 0.674 nan 8.280 nan 0.000 0.610 478 E N 0.935 121.224 120.200 0.149 0.000 2.455 478 E HA -0.176 4.174 4.350 0.000 0.000 0.202 478 E C 0.249 176.905 176.600 0.093 0.000 1.045 478 E CA 1.202 57.662 56.400 0.100 0.000 0.872 478 E CB -0.069 29.693 29.700 0.103 0.000 0.792 478 E HN 0.585 nan 8.360 nan 0.000 0.542 479 D N -0.356 120.109 120.400 0.107 0.000 2.342 479 D HA 0.106 4.747 4.640 0.000 0.000 0.221 479 D C 1.329 177.670 176.300 0.068 0.000 1.101 479 D CA 0.364 54.408 54.000 0.073 0.000 0.837 479 D CB 0.406 41.235 40.800 0.048 0.000 0.938 479 D HN 0.281 nan 8.370 nan 0.000 0.508 480 G N 0.187 109.037 108.800 0.083 0.000 2.268 480 G HA2 -0.306 3.654 3.960 0.000 0.000 0.240 480 G HA3 -0.306 3.654 3.960 0.000 0.000 0.240 480 G C 0.432 175.383 174.900 0.085 0.000 1.010 480 G CA 0.284 45.426 45.100 0.069 0.000 0.618 480 G HN 0.678 nan 8.290 nan 0.000 0.516 481 S N 0.525 116.286 115.700 0.103 0.000 2.544 481 S HA 0.440 4.911 4.470 0.000 0.000 0.290 481 S C 0.777 175.484 174.600 0.179 0.000 1.276 481 S CA 0.274 58.542 58.200 0.114 0.000 1.075 481 S CB 0.685 63.923 63.200 0.062 0.000 0.849 481 S HN 0.977 nan 8.310 nan 0.000 0.494 482 V N 5.192 125.191 119.914 0.142 0.000 2.863 482 V HA 0.553 4.673 4.120 0.000 0.000 0.307 482 V C 0.215 176.386 176.094 0.127 0.000 1.061 482 V CA -0.525 61.844 62.300 0.115 0.000 1.024 482 V CB 1.632 33.511 31.823 0.093 0.000 1.049 482 V HN 0.933 nan 8.190 nan 0.000 0.471 483 Q N 1.320 121.111 119.800 -0.014 0.000 2.340 483 Q HA 0.572 4.912 4.340 0.000 0.000 0.276 483 Q C -2.112 173.710 176.000 -0.297 0.000 1.048 483 Q CA -0.483 55.294 55.803 -0.043 0.000 0.832 483 Q CB 2.113 30.824 28.738 -0.045 0.000 1.373 483 Q HN 0.574 nan 8.270 nan 0.000 0.409 484 F N 1.423 121.233 119.950 -0.234 0.000 2.594 484 F HA 0.697 5.224 4.527 0.000 0.000 0.335 484 F C -0.615 174.933 175.800 -0.419 0.000 1.058 484 F CA -0.852 57.075 58.000 -0.122 0.000 0.981 484 F CB 1.461 40.448 39.000 -0.022 0.000 1.289 484 F HN 0.423 nan 8.300 nan 0.000 0.490 485 F N -0.379 119.797 119.950 0.378 0.000 2.565 485 F HA 0.252 4.779 4.527 0.000 0.000 0.313 485 F C 0.950 176.904 175.800 0.257 0.000 1.091 485 F CA -0.636 57.539 58.000 0.291 0.000 0.915 485 F CB 2.052 41.222 39.000 0.284 0.000 1.208 485 F HN 0.433 nan 8.300 nan 0.000 0.453 486 S N 0.628 116.533 115.700 0.342 0.000 2.400 486 S HA -0.066 4.405 4.470 0.000 0.000 0.232 486 S C 0.616 175.381 174.600 0.275 0.000 1.025 486 S CA 1.735 60.059 58.200 0.207 0.000 0.993 486 S CB -0.290 63.004 63.200 0.157 0.000 0.808 486 S HN 0.741 nan 8.310 nan 0.000 0.478 487 T N 1.175 115.985 114.554 0.426 0.000 2.883 487 T HA 0.557 4.908 4.350 0.000 0.000 0.296 487 T C -3.151 171.820 174.700 0.452 0.000 1.117 487 T CA -1.728 60.652 62.100 0.468 0.000 1.006 487 T CB 1.660 70.667 68.868 0.231 0.000 1.191 487 T HN -0.010 nan 8.240 nan 0.000 0.508 488 P HA 0.246 nan 4.420 nan 0.000 0.268 488 P C -0.637 176.521 177.300 -0.237 0.000 1.205 488 P CA -0.382 62.488 63.100 -0.384 0.000 0.771 488 P CB 0.505 31.973 31.700 -0.387 0.000 0.858 489 L N 4.147 125.186 121.223 -0.307 0.000 2.456 489 L HA 0.399 4.739 4.340 0.000 0.000 0.257 489 L C -1.878 174.887 176.870 -0.176 0.000 1.162 489 L CA -2.352 52.325 54.840 -0.273 0.000 0.808 489 L CB -0.577 41.285 42.059 -0.327 0.000 1.136 489 L HN 0.229 nan 8.230 nan 0.000 0.466 490 P HA 0.082 nan 4.420 nan 0.000 0.267 490 P C -2.139 175.117 177.300 -0.072 0.000 1.209 490 P CA -0.976 62.065 63.100 -0.099 0.000 0.763 490 P CB 0.140 31.788 31.700 -0.087 0.000 0.816 491 P HA -0.232 nan 4.420 nan 0.000 0.218 491 P C 1.115 178.412 177.300 -0.006 0.000 1.146 491 P CA 1.630 64.692 63.100 -0.063 0.000 0.820 491 P CB -0.259 31.374 31.700 -0.111 0.000 0.778 492 A N -0.808 121.997 122.820 -0.026 0.000 2.172 492 A HA -0.077 4.243 4.320 0.000 0.000 0.216 492 A C 1.944 179.523 177.584 -0.009 0.000 1.154 492 A CA 1.727 53.753 52.037 -0.018 0.000 0.701 492 A CB -1.189 17.790 19.000 -0.035 0.000 0.789 492 A HN 0.258 nan 8.150 nan 0.000 0.465 493 V N -5.183 114.725 119.914 -0.010 0.000 3.621 493 V HA 0.325 4.445 4.120 0.000 0.000 0.263 493 V C 0.958 177.042 176.094 -0.017 0.000 1.272 493 V CA -0.406 61.872 62.300 -0.037 0.000 1.080 493 V CB -1.321 30.450 31.823 -0.087 0.000 0.816 493 V HN 0.295 nan 8.190 nan 0.000 0.451 494 F N 2.966 122.839 119.950 -0.128 0.000 2.579 494 F HA 0.313 4.840 4.527 0.000 0.000 0.397 494 F C 1.379 177.115 175.800 -0.107 0.000 1.027 494 F CA 1.000 58.922 58.000 -0.130 0.000 1.217 494 F CB 0.184 39.112 39.000 -0.120 0.000 0.986 494 F HN 0.567 nan 8.300 nan 0.000 0.551 495 A N 3.510 125.875 122.820 -0.758 0.000 3.420 495 A HA -0.309 4.012 4.320 0.000 0.000 0.269 495 A C 0.989 178.414 177.584 -0.265 0.000 1.122 495 A CA 1.496 53.164 52.037 -0.616 0.000 1.023 495 A CB -2.010 16.590 19.000 -0.666 0.000 1.099 495 A HN 0.791 nan 8.150 nan 0.000 0.860 496 R N -0.764 119.630 120.500 -0.176 0.000 2.543 496 R HA 0.524 4.865 4.340 0.000 0.000 0.268 496 R C -0.055 176.179 176.300 -0.110 0.000 1.067 496 R CA -0.433 55.605 56.100 -0.103 0.000 1.142 496 R CB 0.889 31.152 30.300 -0.061 0.000 1.110 496 R HN 0.162 nan 8.270 nan 0.000 0.549 497 V N 2.152 122.021 119.914 -0.076 0.000 2.455 497 V HA 0.061 4.181 4.120 0.000 0.000 0.273 497 V C 0.078 176.142 176.094 -0.050 0.000 1.045 497 V CA -0.047 62.216 62.300 -0.062 0.000 0.976 497 V CB 0.722 32.523 31.823 -0.037 0.000 0.993 497 V HN 0.774 nan 8.190 nan 0.000 0.475 498 C N 4.749 124.016 119.300 -0.054 0.000 2.454 498 C HA 0.584 5.044 4.460 0.000 0.000 0.336 498 C C 0.247 175.231 174.990 -0.010 0.000 1.189 498 C CA -0.941 58.052 59.018 -0.042 0.000 1.877 498 C CB 1.659 29.361 27.740 -0.063 0.000 2.348 498 C HN 0.592 nan 8.230 nan 0.000 0.508 499 V N 3.147 123.060 119.914 -0.001 0.000 2.432 499 V HA 0.154 4.275 4.120 0.000 0.000 0.271 499 V C 0.108 176.224 176.094 0.037 0.000 1.046 499 V CA -0.036 62.283 62.300 0.032 0.000 0.945 499 V CB 1.149 32.970 31.823 -0.003 0.000 0.992 499 V HN 0.690 nan 8.190 nan 0.000 0.471 500 V N 7.186 127.161 119.914 0.102 0.000 2.326 500 V HA 0.200 4.320 4.120 0.000 0.000 0.249 500 V C 0.801 177.018 176.094 0.206 0.000 1.114 500 V CA -0.478 61.902 62.300 0.134 0.000 1.028 500 V CB -0.152 31.786 31.823 0.192 0.000 1.170 500 V HN 0.726 nan 8.190 nan 0.000 0.494 501 K N 2.870 123.333 120.400 0.104 0.000 2.273 501 K HA 0.451 4.771 4.320 0.000 0.000 0.240 501 K C 1.617 178.333 176.600 0.193 0.000 1.056 501 K CA 0.298 56.656 56.287 0.119 0.000 0.910 501 K CB 0.642 33.079 32.500 -0.106 0.000 1.196 501 K HN 0.475 nan 8.250 nan 0.000 0.509 502 A N 0.859 123.808 122.820 0.215 0.000 1.933 502 A HA -0.200 4.120 4.320 0.000 0.000 0.218 502 A C 1.040 178.689 177.584 0.107 0.000 1.175 502 A CA 2.460 54.587 52.037 0.150 0.000 0.628 502 A CB -0.338 18.744 19.000 0.136 0.000 0.814 502 A HN 0.776 nan 8.150 nan 0.000 0.444 503 D N -2.025 118.428 120.400 0.088 0.000 2.448 503 D HA 0.128 4.768 4.640 0.000 0.000 0.256 503 D C 0.444 176.781 176.300 0.061 0.000 1.108 503 D CA 0.481 54.524 54.000 0.072 0.000 0.848 503 D CB -0.219 40.613 40.800 0.053 0.000 1.281 503 D HN 0.692 nan 8.370 nan 0.000 0.509 504 E N 0.412 120.636 120.200 0.041 0.000 2.369 504 E HA 0.556 4.907 4.350 0.000 0.000 0.270 504 E C -0.991 175.608 176.600 -0.002 0.000 0.909 504 E CA -1.063 55.341 56.400 0.006 0.000 0.775 504 E CB 2.124 31.813 29.700 -0.019 0.000 1.270 504 E HN -0.082 nan 8.360 nan 0.000 0.445 505 L N 1.968 123.171 121.223 -0.033 0.000 2.265 505 L HA 0.346 4.687 4.340 0.000 0.000 0.288 505 L C -0.753 176.082 176.870 -0.058 0.000 1.058 505 L CA -1.170 53.643 54.840 -0.045 0.000 0.809 505 L CB 1.422 43.431 42.059 -0.083 0.000 1.179 505 L HN 0.437 nan 8.230 nan 0.000 0.429 506 V N 5.995 125.877 119.914 -0.054 0.000 2.304 506 V HA 0.235 4.356 4.120 0.000 0.000 0.269 506 V C -1.839 174.226 176.094 -0.047 0.000 1.036 506 V CA -1.623 60.642 62.300 -0.058 0.000 0.840 506 V CB 0.919 32.698 31.823 -0.073 0.000 1.036 506 V HN 0.583 nan 8.190 nan 0.000 0.466 507 P HA 0.178 nan 4.420 nan 0.000 0.271 507 P C -0.729 176.551 177.300 -0.033 0.000 1.218 507 P CA -0.330 62.744 63.100 -0.044 0.000 0.780 507 P CB 1.172 32.844 31.700 -0.046 0.000 0.901 508 L N 5.028 126.234 121.223 -0.029 0.000 2.360 508 L HA 0.551 4.891 4.340 0.000 0.000 0.271 508 L C -1.768 175.087 176.870 -0.025 0.000 1.057 508 L CA -1.652 53.175 54.840 -0.022 0.000 0.803 508 L CB 0.322 42.371 42.059 -0.015 0.000 1.207 508 L HN 0.363 nan 8.230 nan 0.000 0.445 509 P HA 0.615 nan 4.420 nan 0.000 0.285 509 P C -0.318 176.964 177.300 -0.031 0.000 1.269 509 P CA -0.250 62.833 63.100 -0.029 0.000 0.844 509 P CB 1.798 33.478 31.700 -0.032 0.000 1.094 510 G N 1.868 110.648 108.800 -0.033 0.000 2.526 510 G HA2 -0.015 3.945 3.960 0.000 0.000 0.250 510 G HA3 -0.015 3.945 3.960 0.000 0.000 0.250 510 G C -0.925 173.965 174.900 -0.017 0.000 1.289 510 G CA 0.148 45.229 45.100 -0.032 0.000 0.947 510 G HN 0.722 nan 8.290 nan 0.000 0.517 511 D N -1.326 119.071 120.400 -0.006 0.000 2.785 511 D HA 0.413 5.053 4.640 0.000 0.000 0.324 511 D C 0.376 176.679 176.300 0.005 0.000 1.523 511 D CA -0.442 53.556 54.000 -0.003 0.000 0.789 511 D CB 0.161 40.963 40.800 0.003 0.000 1.171 511 D HN 0.649 nan 8.370 nan 0.000 0.447 512 L N 1.554 122.781 121.223 0.007 0.000 2.483 512 L HA 0.533 4.873 4.340 0.000 0.000 0.276 512 L C 0.222 177.095 176.870 0.004 0.000 1.213 512 L CA -0.245 54.603 54.840 0.015 0.000 0.843 512 L CB 0.553 42.622 42.059 0.017 0.000 1.107 512 L HN 0.249 nan 8.230 nan 0.000 0.487 513 A N 4.995 127.819 122.820 0.007 0.000 2.340 513 A HA 0.248 4.568 4.320 0.000 0.000 0.268 513 A C 1.077 178.663 177.584 0.004 0.000 1.100 513 A CA -0.141 51.896 52.037 0.000 0.000 0.803 513 A CB 0.184 19.185 19.000 0.002 0.000 1.043 513 A HN 1.055 nan 8.150 nan 0.000 0.488 514 L N 0.854 122.076 121.223 -0.002 0.000 1.997 514 L HA -0.230 4.111 4.340 0.000 0.000 0.216 514 L C 2.385 179.267 176.870 0.020 0.000 1.074 514 L CA 2.253 57.097 54.840 0.008 0.000 0.763 514 L CB -0.293 41.767 42.059 0.002 0.000 0.890 514 L HN 0.868 nan 8.230 nan 0.000 0.434 515 E N 0.214 120.424 120.200 0.017 0.000 2.070 515 E HA -0.289 4.062 4.350 0.000 0.000 0.197 515 E C 2.104 178.716 176.600 0.021 0.000 1.004 515 E CA 1.682 58.095 56.400 0.021 0.000 0.805 515 E CB -0.469 29.240 29.700 0.015 0.000 0.744 515 E HN 0.441 nan 8.360 nan 0.000 0.451 516 K N 0.708 121.119 120.400 0.018 0.000 2.057 516 K HA -0.037 4.284 4.320 0.000 0.000 0.206 516 K C 2.312 178.926 176.600 0.022 0.000 1.050 516 K CA 0.716 57.015 56.287 0.019 0.000 0.935 516 K CB -0.579 31.933 32.500 0.020 0.000 0.715 516 K HN -0.031 nan 8.250 nan 0.000 0.439 517 V N 1.185 121.113 119.914 0.024 0.000 2.255 517 V HA -0.277 3.843 4.120 0.000 0.000 0.247 517 V C 2.450 178.566 176.094 0.036 0.000 1.051 517 V CA 2.047 64.364 62.300 0.029 0.000 1.018 517 V CB -0.490 31.351 31.823 0.030 0.000 0.641 517 V HN 0.344 nan 8.190 nan 0.000 0.445 518 R N 0.415 120.941 120.500 0.042 0.000 2.096 518 R HA -0.232 4.109 4.340 0.000 0.000 0.240 518 R C 2.323 178.642 176.300 0.033 0.000 1.139 518 R CA 1.981 58.111 56.100 0.050 0.000 0.952 518 R CB -0.594 29.739 30.300 0.056 0.000 0.854 518 R HN 0.474 nan 8.270 nan 0.000 0.436 519 A N 1.420 124.256 122.820 0.025 0.000 1.903 519 A HA -0.212 4.108 4.320 0.000 0.000 0.219 519 A C 2.252 179.844 177.584 0.014 0.000 1.191 519 A CA 1.961 54.008 52.037 0.017 0.000 0.638 519 A CB -0.651 18.358 19.000 0.015 0.000 0.823 519 A HN 0.430 nan 8.150 nan 0.000 0.451 520 I N -1.288 119.292 120.570 0.017 0.000 2.179 520 I HA -0.250 3.920 4.170 0.000 0.000 0.242 520 I C 2.711 178.835 176.117 0.013 0.000 1.088 520 I CA 1.678 62.986 61.300 0.014 0.000 1.357 520 I CB -0.406 37.604 38.000 0.017 0.000 1.051 520 I HN 0.408 nan 8.210 nan 0.000 0.409 521 R N 1.384 121.896 120.500 0.020 0.000 2.096 521 R HA -0.207 4.133 4.340 0.000 0.000 0.240 521 R C 2.458 178.757 176.300 -0.002 0.000 1.139 521 R CA 1.797 57.909 56.100 0.019 0.000 0.952 521 R CB -0.108 30.214 30.300 0.037 0.000 0.854 521 R HN 0.317 nan 8.270 nan 0.000 0.436 522 R N -0.178 120.318 120.500 -0.008 0.000 2.075 522 R HA -0.047 4.293 4.340 0.000 0.000 0.226 522 R C 2.621 178.917 176.300 -0.006 0.000 1.114 522 R CA 1.451 57.538 56.100 -0.021 0.000 0.972 522 R CB -0.316 29.972 30.300 -0.020 0.000 0.869 522 R HN 0.338 nan 8.270 nan 0.000 0.437 523 S N 1.302 117.001 115.700 -0.002 0.000 2.370 523 S HA -0.159 4.312 4.470 0.000 0.000 0.226 523 S C 2.296 176.893 174.600 -0.004 0.000 1.033 523 S CA 1.112 59.312 58.200 -0.001 0.000 1.011 523 S CB -0.264 62.935 63.200 -0.001 0.000 0.852 523 S HN 0.354 nan 8.310 nan 0.000 0.457 524 A N 2.460 125.277 122.820 -0.005 0.000 1.884 524 A HA -0.185 4.135 4.320 0.000 0.000 0.219 524 A C 2.299 179.871 177.584 -0.020 0.000 1.197 524 A CA 2.027 54.054 52.037 -0.016 0.000 0.637 524 A CB -0.832 18.162 19.000 -0.009 0.000 0.827 524 A HN 0.696 nan 8.150 nan 0.000 0.450 525 K N -0.554 119.857 120.400 0.017 0.000 2.057 525 K HA -0.134 4.187 4.320 0.000 0.000 0.206 525 K C 2.035 178.690 176.600 0.093 0.000 1.050 525 K CA 1.505 57.846 56.287 0.089 0.000 0.935 525 K CB -0.209 32.368 32.500 0.127 0.000 0.715 525 K HN 0.650 nan 8.250 nan 0.000 0.439 526 E N 0.767 120.997 120.200 0.050 0.000 2.051 526 E HA -0.170 4.181 4.350 0.000 0.000 0.192 526 E C 2.083 178.696 176.600 0.021 0.000 0.991 526 E CA 1.027 57.456 56.400 0.047 0.000 0.799 526 E CB -0.057 29.657 29.700 0.022 0.000 0.748 526 E HN 0.222 nan 8.360 nan 0.000 0.449 527 R N 0.389 120.884 120.500 -0.009 0.000 2.159 527 R HA -0.119 4.222 4.340 0.000 0.000 0.237 527 R C 2.190 178.453 176.300 -0.062 0.000 1.131 527 R CA 0.920 57.004 56.100 -0.028 0.000 0.982 527 R CB -0.072 30.208 30.300 -0.033 0.000 0.868 527 R HN 0.077 nan 8.270 nan 0.000 0.453 528 V N -0.579 119.265 119.914 -0.117 0.000 2.398 528 V HA -0.077 4.043 4.120 0.000 0.000 0.236 528 V C 1.705 177.660 176.094 -0.231 0.000 1.054 528 V CA 1.256 63.408 62.300 -0.247 0.000 1.060 528 V CB -0.427 31.114 31.823 -0.469 0.000 0.707 528 V HN 0.037 nan 8.190 nan 0.000 0.480 529 F N 0.546 120.487 119.950 -0.015 0.000 2.098 529 F HA -0.079 4.449 4.527 0.000 0.000 0.294 529 F C 2.344 178.137 175.800 -0.012 0.000 1.107 529 F CA 1.355 59.346 58.000 -0.015 0.000 1.234 529 F CB -1.088 37.900 39.000 -0.020 0.000 1.002 529 F HN -0.096 nan 8.300 nan 0.000 0.472 530 V N -0.692 119.332 119.914 0.183 0.000 2.594 530 V HA -0.277 3.844 4.120 0.000 0.000 0.253 530 V C 2.146 178.280 176.094 0.066 0.000 1.069 530 V CA 2.215 64.579 62.300 0.107 0.000 1.082 530 V CB -1.283 30.589 31.823 0.081 0.000 0.680 530 V HN 0.394 nan 8.190 nan 0.000 0.469 531 T N 0.036 114.616 114.554 0.043 0.000 2.698 531 T HA -0.128 4.222 4.350 0.000 0.000 0.260 531 T C 1.929 176.638 174.700 0.015 0.000 1.044 531 T CA 1.450 63.560 62.100 0.017 0.000 1.149 531 T CB -0.383 68.482 68.868 -0.005 0.000 0.864 531 T HN 0.372 nan 8.240 nan 0.000 0.419 532 N N 1.365 120.074 118.700 0.015 0.000 2.149 532 N HA -0.064 4.676 4.740 0.000 0.000 0.188 532 N C 2.072 177.602 175.510 0.033 0.000 1.019 532 N CA 1.285 54.346 53.050 0.019 0.000 0.857 532 N CB -0.496 38.003 38.487 0.020 0.000 0.997 532 N HN 0.407 nan 8.380 nan 0.000 0.426 533 A N 1.689 124.543 122.820 0.058 0.000 1.859 533 A HA -0.142 4.178 4.320 0.000 0.000 0.217 533 A C 2.163 179.746 177.584 -0.002 0.000 1.198 533 A CA 1.094 53.154 52.037 0.039 0.000 0.629 533 A CB -0.755 18.278 19.000 0.055 0.000 0.830 533 A HN 0.171 nan 8.150 nan 0.000 0.446 534 L N -0.529 120.687 121.223 -0.011 0.000 2.079 534 L HA -0.157 4.183 4.340 0.000 0.000 0.210 534 L C 2.658 179.500 176.870 -0.046 0.000 1.081 534 L CA 1.798 56.605 54.840 -0.054 0.000 0.752 534 L CB -1.410 40.622 42.059 -0.045 0.000 0.896 534 L HN 0.459 nan 8.230 nan 0.000 0.433 535 R N -0.501 119.987 120.500 -0.020 0.000 2.088 535 R HA -0.194 4.146 4.340 0.000 0.000 0.232 535 R C 2.277 178.567 176.300 -0.016 0.000 1.136 535 R CA 1.666 57.758 56.100 -0.015 0.000 0.926 535 R CB -0.524 29.774 30.300 -0.004 0.000 0.837 535 R HN 0.365 nan 8.270 nan 0.000 0.429 536 A N 1.390 124.204 122.820 -0.010 0.000 1.849 536 A HA -0.217 4.103 4.320 0.000 0.000 0.217 536 A C 2.262 179.833 177.584 -0.021 0.000 1.202 536 A CA 1.569 53.600 52.037 -0.010 0.000 0.629 536 A CB -0.983 18.012 19.000 -0.010 0.000 0.834 536 A HN 0.279 nan 8.150 nan 0.000 0.447 537 L N -1.330 119.874 121.223 -0.032 0.000 2.137 537 L HA -0.253 4.087 4.340 0.000 0.000 0.213 537 L C 2.859 179.697 176.870 -0.052 0.000 1.085 537 L CA 1.931 56.744 54.840 -0.045 0.000 0.760 537 L CB -0.268 41.750 42.059 -0.069 0.000 0.893 537 L HN 0.437 nan 8.230 nan 0.000 0.434 538 R N -1.331 119.136 120.500 -0.056 0.000 2.093 538 R HA -0.096 4.245 4.340 0.000 0.000 0.224 538 R C 2.358 178.640 176.300 -0.030 0.000 1.101 538 R CA 0.687 56.754 56.100 -0.055 0.000 0.979 538 R CB 0.060 30.325 30.300 -0.057 0.000 0.877 538 R HN 0.398 nan 8.270 nan 0.000 0.441 539 Q N 0.121 119.909 119.800 -0.020 0.000 1.948 539 Q HA -0.144 4.196 4.340 0.000 0.000 0.205 539 Q C 1.857 177.853 176.000 -0.006 0.000 0.992 539 Q CA 2.097 57.895 55.803 -0.008 0.000 0.849 539 Q CB -0.411 28.327 28.738 0.000 0.000 0.918 539 Q HN 0.341 nan 8.270 nan 0.000 0.421 540 V N -0.854 119.057 119.914 -0.005 0.000 3.559 540 V HA 0.036 4.156 4.120 0.000 0.000 0.272 540 V C 0.760 176.852 176.094 -0.005 0.000 1.235 540 V CA 0.802 63.101 62.300 -0.001 0.000 1.192 540 V CB -0.390 31.434 31.823 0.002 0.000 0.930 540 V HN 0.100 nan 8.190 nan 0.000 0.492 541 S N 1.489 117.182 115.700 -0.011 0.000 2.468 541 S HA 0.467 4.938 4.470 0.000 0.000 0.190 541 S C -0.801 173.794 174.600 -0.009 0.000 1.445 541 S CA -1.181 57.011 58.200 -0.013 0.000 1.084 541 S CB 0.746 63.932 63.200 -0.025 0.000 1.175 541 S HN 0.388 nan 8.310 nan 0.000 0.484 542 P HA -0.228 nan 4.420 nan 0.000 0.222 542 P C 1.600 178.899 177.300 -0.003 0.000 1.159 542 P CA 2.080 65.178 63.100 -0.002 0.000 0.920 542 P CB -0.597 31.103 31.700 0.001 0.000 0.793 543 T N -5.254 109.298 114.554 -0.003 0.000 3.155 543 T HA 0.187 4.538 4.350 0.000 0.000 0.264 543 T C 1.590 176.288 174.700 -0.004 0.000 1.160 543 T CA 1.021 63.119 62.100 -0.002 0.000 1.075 543 T CB -1.003 67.864 68.868 -0.001 0.000 0.921 543 T HN 0.368 nan 8.240 nan 0.000 0.533 544 G N 1.257 110.052 108.800 -0.007 0.000 2.217 544 G HA2 -0.253 3.707 3.960 0.000 0.000 0.246 544 G HA3 -0.253 3.707 3.960 0.000 0.000 0.246 544 G C -0.099 174.791 174.900 -0.017 0.000 0.990 544 G CA -0.145 44.949 45.100 -0.010 0.000 0.627 544 G HN 0.654 nan 8.290 nan 0.000 0.522 545 N N 0.468 119.158 118.700 -0.016 0.000 2.420 545 N HA 0.510 5.250 4.740 0.000 0.000 0.249 545 N C 0.969 176.453 175.510 -0.043 0.000 1.033 545 N CA -0.574 52.464 53.050 -0.020 0.000 0.944 545 N CB 1.419 39.902 38.487 -0.006 0.000 1.113 545 N HN 0.172 nan 8.380 nan 0.000 0.502 546 I N 2.226 122.746 120.570 -0.083 0.000 3.055 546 I HA -0.206 3.965 4.170 0.000 0.000 0.277 546 I C 1.040 177.084 176.117 -0.121 0.000 1.306 546 I CA 1.164 62.371 61.300 -0.154 0.000 1.426 546 I CB -0.192 37.606 38.000 -0.336 0.000 1.081 546 I HN 0.468 nan 8.210 nan 0.000 0.502 547 R N -0.598 119.869 120.500 -0.054 0.000 2.334 547 R HA 0.169 4.509 4.340 0.000 0.000 0.212 547 R C 0.474 176.763 176.300 -0.018 0.000 0.897 547 R CA 0.239 56.329 56.100 -0.017 0.000 1.056 547 R CB 0.062 30.370 30.300 0.013 0.000 1.046 547 R HN 0.389 nan 8.270 nan 0.000 0.513 548 D N 0.949 121.336 120.400 -0.022 0.000 2.369 548 D HA 0.118 4.758 4.640 0.000 0.000 0.211 548 D C -0.148 176.149 176.300 -0.004 0.000 1.077 548 D CA 0.332 54.326 54.000 -0.010 0.000 0.842 548 D CB 0.614 41.410 40.800 -0.006 0.000 0.947 548 D HN 0.094 nan 8.370 nan 0.000 0.509 549 I N 2.075 122.638 120.570 -0.012 0.000 2.405 549 I HA 0.172 4.342 4.170 0.000 0.000 0.280 549 I C -1.623 174.480 176.117 -0.022 0.000 1.027 549 I CA -1.935 59.369 61.300 0.007 0.000 1.161 549 I CB 1.723 39.730 38.000 0.013 0.000 1.300 549 I HN -0.326 nan 8.210 nan 0.000 0.463 550 P HA -0.085 nan 4.420 nan 0.000 0.222 550 P C 0.019 177.057 177.300 -0.437 0.000 1.147 550 P CA 1.266 64.221 63.100 -0.242 0.000 0.790 550 P CB 0.127 31.674 31.700 -0.256 0.000 0.780 551 F N -0.462 119.489 119.950 0.002 0.000 2.507 551 F HA 0.316 4.843 4.527 0.001 0.000 0.328 551 F C -0.090 175.708 175.800 -0.004 0.000 1.136 551 F CA -1.085 56.916 58.000 0.001 0.000 0.930 551 F CB 2.118 41.117 39.000 -0.001 0.000 1.166 551 F HN -0.437 nan 8.300 nan 0.000 0.436 552 V N 4.660 124.675 119.914 0.167 0.000 2.495 552 V HA 0.580 4.701 4.120 0.000 0.000 0.298 552 V C -0.639 175.515 176.094 0.100 0.000 1.031 552 V CA -0.833 61.525 62.300 0.097 0.000 0.871 552 V CB 1.933 33.782 31.823 0.044 0.000 0.988 552 V HN 0.444 nan 8.190 nan 0.000 0.432 553 V N 6.105 126.056 119.914 0.063 0.000 2.444 553 V HA 0.474 4.594 4.120 0.000 0.000 0.294 553 V C -0.304 175.794 176.094 0.007 0.000 1.022 553 V CA -0.514 61.809 62.300 0.038 0.000 0.850 553 V CB 1.813 33.651 31.823 0.025 0.000 0.992 553 V HN 0.643 nan 8.190 nan 0.000 0.426 554 L N 6.195 127.413 121.223 -0.008 0.000 2.275 554 L HA 0.769 5.110 4.340 0.000 0.000 0.288 554 L C -0.109 176.737 176.870 -0.040 0.000 1.046 554 L CA -0.493 54.326 54.840 -0.036 0.000 0.805 554 L CB 1.522 43.545 42.059 -0.060 0.000 1.193 554 L HN 0.616 nan 8.230 nan 0.000 0.426 555 V N -0.193 119.694 119.914 -0.044 0.000 3.156 555 V HA 1.069 5.189 4.120 0.000 0.000 0.311 555 V C 0.063 176.130 176.094 -0.046 0.000 1.208 555 V CA -0.328 61.949 62.300 -0.039 0.000 1.063 555 V CB 1.330 33.139 31.823 -0.023 0.000 1.098 555 V HN 0.977 nan 8.190 nan 0.000 0.452 556 G N -0.595 108.186 108.800 -0.033 0.000 2.662 556 G HA2 0.326 4.287 3.960 0.000 0.000 0.686 556 G HA3 0.326 4.287 3.960 0.000 0.000 0.686 556 G C 0.573 175.452 174.900 -0.035 0.000 1.271 556 G CA -0.184 44.901 45.100 -0.024 0.000 0.816 556 G HN 1.999 nan 8.290 nan 0.000 0.608 557 G N -0.115 108.678 108.800 -0.012 0.000 2.476 557 G HA2 -0.075 3.886 3.960 0.000 0.000 0.218 557 G HA3 -0.075 3.886 3.960 0.000 0.000 0.218 557 G C 2.116 176.995 174.900 -0.034 0.000 1.164 557 G CA 2.183 47.279 45.100 -0.006 0.000 0.768 557 G HN 1.527 nan 8.290 nan 0.000 0.560 558 S N 0.618 116.279 115.700 -0.064 0.000 2.474 558 S HA -0.029 4.442 4.470 0.000 0.000 0.235 558 S C 2.493 176.939 174.600 -0.256 0.000 0.997 558 S CA 0.954 59.056 58.200 -0.162 0.000 0.949 558 S CB -0.086 62.951 63.200 -0.271 0.000 0.766 558 S HN 0.334 nan 8.310 nan 0.000 0.517 559 S N 1.258 116.843 115.700 -0.192 0.000 2.507 559 S HA 0.140 4.610 4.470 0.000 0.000 0.235 559 S C 1.195 175.734 174.600 -0.102 0.000 0.988 559 S CA 0.588 58.691 58.200 -0.161 0.000 0.944 559 S CB -0.152 62.983 63.200 -0.108 0.000 0.762 559 S HN 0.427 nan 8.310 nan 0.000 0.526 560 L N 0.935 122.113 121.223 -0.074 0.000 2.667 560 L HA 0.250 4.591 4.340 0.000 0.000 0.232 560 L C 0.337 177.200 176.870 -0.012 0.000 1.138 560 L CA -0.228 54.592 54.840 -0.034 0.000 0.921 560 L CB -0.049 42.000 42.059 -0.017 0.000 1.180 560 L HN 0.090 nan 8.230 nan 0.000 0.487 561 D N 0.174 120.547 120.400 -0.045 0.000 2.399 561 D HA -0.084 4.556 4.640 0.000 0.000 0.241 561 D C 1.095 177.402 176.300 0.012 0.000 1.133 561 D CA -0.199 53.790 54.000 -0.020 0.000 0.890 561 D CB 0.693 41.425 40.800 -0.114 0.000 1.201 561 D HN 0.216 nan 8.370 nan 0.000 0.432 562 F N 0.534 120.442 119.950 -0.068 0.000 2.816 562 F HA 0.294 4.821 4.527 0.001 0.000 0.302 562 F C 1.112 176.891 175.800 -0.036 0.000 1.178 562 F CA -0.022 57.942 58.000 -0.059 0.000 1.421 562 F CB 0.032 38.990 39.000 -0.070 0.000 1.114 562 F HN 0.350 nan 8.300 nan 0.000 0.573 563 E N -0.182 119.767 120.200 -0.418 0.000 2.717 563 E HA 0.063 4.414 4.350 0.000 0.000 0.204 563 E C 2.025 178.508 176.600 -0.195 0.000 0.911 563 E CA 0.218 56.405 56.400 -0.356 0.000 1.370 563 E CB 0.017 29.393 29.700 -0.539 0.000 1.315 563 E HN 0.129 nan 8.360 nan 0.000 0.643 564 V N 3.303 123.096 119.914 -0.202 0.000 2.282 564 V HA -0.221 3.900 4.120 0.000 0.000 0.249 564 V C -0.925 175.077 176.094 -0.153 0.000 1.057 564 V CA 2.492 64.682 62.300 -0.183 0.000 1.032 564 V CB -1.323 30.281 31.823 -0.364 0.000 0.645 564 V HN 0.265 nan 8.190 nan 0.000 0.447 565 P HA -0.192 nan 4.420 nan 0.000 0.213 565 P C 1.585 178.854 177.300 -0.051 0.000 1.170 565 P CA 1.557 64.602 63.100 -0.091 0.000 0.893 565 P CB -0.105 31.552 31.700 -0.072 0.000 0.784 566 Q N -0.292 119.483 119.800 -0.043 0.000 2.152 566 Q HA -0.127 4.213 4.340 0.000 0.000 0.206 566 Q C 2.447 178.436 176.000 -0.018 0.000 0.985 566 Q CA 1.369 57.159 55.803 -0.022 0.000 0.863 566 Q CB -1.057 27.671 28.738 -0.017 0.000 0.904 566 Q HN 0.231 nan 8.270 nan 0.000 0.422 567 L N -0.666 120.538 121.223 -0.032 0.000 2.131 567 L HA -0.165 4.175 4.340 0.000 0.000 0.210 567 L C 1.984 178.860 176.870 0.010 0.000 1.092 567 L CA 0.734 55.566 54.840 -0.013 0.000 0.759 567 L CB -0.236 41.814 42.059 -0.015 0.000 0.903 567 L HN 0.164 nan 8.230 nan 0.000 0.435 568 V N -1.441 118.475 119.914 0.004 0.000 2.446 568 V HA -0.183 3.937 4.120 0.000 0.000 0.244 568 V C 2.464 178.578 176.094 0.033 0.000 1.039 568 V CA 1.762 64.076 62.300 0.024 0.000 1.045 568 V CB -0.304 31.520 31.823 0.002 0.000 0.681 568 V HN 0.378 nan 8.190 nan 0.000 0.459 569 T N -0.050 114.514 114.554 0.018 0.000 2.597 569 T HA -0.293 4.057 4.350 0.000 0.000 0.267 569 T C 1.865 176.588 174.700 0.038 0.000 1.053 569 T CA 2.152 64.268 62.100 0.025 0.000 1.165 569 T CB -0.482 68.395 68.868 0.014 0.000 0.863 569 T HN 0.547 nan 8.240 nan 0.000 0.427 570 D N 0.641 121.058 120.400 0.029 0.000 2.133 570 D HA -0.123 4.518 4.640 0.000 0.000 0.195 570 D C 2.219 178.549 176.300 0.051 0.000 0.997 570 D CA 1.544 55.562 54.000 0.029 0.000 0.840 570 D CB -0.139 40.669 40.800 0.014 0.000 0.947 570 D HN 0.419 nan 8.370 nan 0.000 0.452 571 A N 0.811 123.670 122.820 0.066 0.000 1.840 571 A HA -0.019 4.301 4.320 0.000 0.000 0.214 571 A C 2.602 180.315 177.584 0.214 0.000 1.198 571 A CA 0.662 52.762 52.037 0.105 0.000 0.608 571 A CB -0.890 18.166 19.000 0.094 0.000 0.839 571 A HN 0.315 nan 8.150 nan 0.000 0.443 572 L N -0.310 121.027 121.223 0.191 0.000 2.349 572 L HA -0.180 4.160 4.340 0.000 0.000 0.220 572 L C 2.723 179.749 176.870 0.260 0.000 1.130 572 L CA 0.724 55.715 54.840 0.252 0.000 0.791 572 L CB -0.467 41.659 42.059 0.111 0.000 0.918 572 L HN 0.473 nan 8.230 nan 0.000 0.444 573 A N -1.221 121.688 122.820 0.150 0.000 2.209 573 A HA -0.217 4.103 4.320 0.000 0.000 0.212 573 A C 1.895 179.514 177.584 0.058 0.000 1.158 573 A CA 0.892 52.979 52.037 0.083 0.000 0.742 573 A CB -0.693 18.335 19.000 0.047 0.000 0.790 573 A HN 0.444 nan 8.150 nan 0.000 0.472 574 H N -1.534 117.485 119.070 -0.084 0.000 2.547 574 H HA 0.187 4.743 4.556 0.000 0.000 0.272 574 H C -0.449 174.483 175.328 -0.660 0.000 0.989 574 H CA 0.455 56.278 56.048 -0.376 0.000 1.214 574 H CB -0.171 29.283 29.762 -0.512 0.000 1.389 574 H HN 0.537 nan 8.280 nan 0.000 0.577 575 Y N -1.657 118.612 120.300 -0.051 0.000 2.567 575 Y HA 0.348 4.898 4.550 0.000 0.000 0.333 575 Y C 1.553 177.399 175.900 -0.091 0.000 1.106 575 Y CA -1.296 56.741 58.100 -0.105 0.000 1.157 575 Y CB 0.695 39.121 38.460 -0.056 0.000 1.277 575 Y HN -0.280 nan 8.280 nan 0.000 0.490 576 R N 0.888 121.412 120.500 0.040 0.000 2.355 576 R HA -0.058 4.283 4.340 0.000 0.000 0.219 576 R C -0.283 175.985 176.300 -0.054 0.000 1.107 576 R CA 0.469 56.551 56.100 -0.031 0.000 1.021 576 R CB -1.217 29.057 30.300 -0.043 0.000 0.852 576 R HN 0.661 nan 8.270 nan 0.000 0.475 577 L N -0.845 120.369 121.223 -0.015 0.000 2.466 577 L HA 0.281 4.621 4.340 0.000 0.000 0.257 577 L C 0.264 177.064 176.870 -0.117 0.000 1.189 577 L CA -0.651 54.134 54.840 -0.092 0.000 0.813 577 L CB 0.392 42.426 42.059 -0.042 0.000 1.118 577 L HN -0.389 nan 8.230 nan 0.000 0.471 578 V N 1.065 120.845 119.914 -0.224 0.000 2.347 578 V HA 0.759 4.879 4.120 0.000 0.000 0.280 578 V C 0.270 176.355 176.094 -0.016 0.000 1.021 578 V CA -0.163 62.042 62.300 -0.158 0.000 0.847 578 V CB 0.758 32.381 31.823 -0.333 0.000 0.990 578 V HN 0.951 nan 8.190 nan 0.000 0.444 579 A N 3.709 126.542 122.820 0.022 0.000 2.498 579 A HA 1.072 5.392 4.320 0.000 0.000 0.298 579 A C -0.013 177.594 177.584 0.038 0.000 1.075 579 A CA -0.047 52.015 52.037 0.041 0.000 0.714 579 A CB 2.206 21.224 19.000 0.030 0.000 1.299 579 A HN 1.554 nan 8.150 nan 0.000 0.407 580 G N 0.233 109.051 108.800 0.031 0.000 2.320 580 G HA2 0.401 4.361 3.960 0.000 0.000 0.297 580 G HA3 0.401 4.361 3.960 0.000 0.000 0.297 580 G C -1.235 173.667 174.900 0.003 0.000 1.344 580 G CA -1.116 43.993 45.100 0.015 0.000 0.851 580 G HN 0.726 nan 8.290 nan 0.000 0.567 581 R N -0.165 120.330 120.500 -0.009 0.000 2.585 581 R HA 0.348 4.689 4.340 0.000 0.000 0.275 581 R C 1.072 177.369 176.300 -0.005 0.000 1.018 581 R CA 0.893 56.983 56.100 -0.017 0.000 1.072 581 R CB 0.525 30.814 30.300 -0.017 0.000 0.953 581 R HN 0.767 nan 8.270 nan 0.000 0.419 582 G N 0.998 109.792 108.800 -0.010 0.000 2.562 582 G HA2 0.059 4.020 3.960 0.000 0.000 0.275 582 G HA3 0.059 4.020 3.960 0.000 0.000 0.275 582 G C -0.178 174.715 174.900 -0.010 0.000 1.196 582 G CA -0.294 44.802 45.100 -0.007 0.000 0.908 582 G HN 0.560 nan 8.290 nan 0.000 0.524 583 N N -0.155 118.537 118.700 -0.013 0.000 2.726 583 N HA 0.177 4.917 4.740 0.000 0.000 0.253 583 N C -0.643 174.855 175.510 -0.018 0.000 1.530 583 N CA -0.573 52.469 53.050 -0.014 0.000 0.772 583 N CB 0.129 38.609 38.487 -0.011 0.000 1.220 583 N HN 0.174 nan 8.380 nan 0.000 0.508 584 I N 1.877 122.437 120.570 -0.018 0.000 2.775 584 I HA 0.065 4.235 4.170 0.000 0.000 0.290 584 I C 1.455 177.559 176.117 -0.021 0.000 1.203 584 I CA 0.659 61.948 61.300 -0.020 0.000 1.433 584 I CB 0.188 38.179 38.000 -0.015 0.000 1.354 584 I HN 0.471 nan 8.210 nan 0.000 0.579 585 R N 4.044 124.529 120.500 -0.024 0.000 3.826 585 R HA -0.276 4.065 4.340 0.000 0.000 0.295 585 R C 1.267 177.552 176.300 -0.026 0.000 1.200 585 R CA 0.628 56.712 56.100 -0.025 0.000 0.818 585 R CB -2.265 28.020 30.300 -0.024 0.000 1.216 585 R HN 1.179 nan 8.270 nan 0.000 0.513 586 G N -0.986 107.800 108.800 -0.024 0.000 2.205 586 G HA2 -0.422 3.538 3.960 0.000 0.000 0.269 586 G HA3 -0.422 3.538 3.960 0.000 0.000 0.269 586 G C 0.626 175.514 174.900 -0.020 0.000 0.977 586 G CA 1.179 46.266 45.100 -0.021 0.000 0.652 586 G HN 0.774 nan 8.290 nan 0.000 0.539 587 S N -1.962 113.725 115.700 -0.022 0.000 2.589 587 S HA 0.328 4.798 4.470 0.000 0.000 0.235 587 S C 1.325 175.914 174.600 -0.018 0.000 1.051 587 S CA 0.665 58.852 58.200 -0.022 0.000 0.978 587 S CB 0.393 63.575 63.200 -0.030 0.000 0.929 587 S HN 0.228 nan 8.310 nan 0.000 0.523 588 E N 1.626 121.816 120.200 -0.017 0.000 2.340 588 E HA 0.370 4.720 4.350 0.000 0.000 0.198 588 E C 1.314 177.908 176.600 -0.010 0.000 0.961 588 E CA 0.788 57.180 56.400 -0.013 0.000 0.905 588 E CB 0.311 30.004 29.700 -0.012 0.000 0.884 588 E HN 0.617 nan 8.360 nan 0.000 0.491 589 G N 2.174 110.967 108.800 -0.012 0.000 2.698 589 G HA2 -0.188 3.772 3.960 0.000 0.000 0.225 589 G HA3 -0.188 3.772 3.960 0.000 0.000 0.225 589 G C -2.294 172.598 174.900 -0.013 0.000 1.345 589 G CA -0.221 44.872 45.100 -0.012 0.000 0.871 589 G HN -0.010 nan 8.290 nan 0.000 0.540 590 P HA 0.105 nan 4.420 nan 0.000 0.269 590 P C 0.349 177.639 177.300 -0.016 0.000 1.461 590 P CA 0.539 63.627 63.100 -0.020 0.000 0.809 590 P CB -0.208 31.474 31.700 -0.030 0.000 1.503 591 R N 0.059 120.553 120.500 -0.011 0.000 2.787 591 R HA 0.347 4.688 4.340 0.000 0.000 0.271 591 R C 0.774 177.071 176.300 -0.004 0.000 0.993 591 R CA -0.847 55.249 56.100 -0.006 0.000 0.993 591 R CB 0.709 31.008 30.300 -0.002 0.000 1.155 591 R HN -0.031 nan 8.270 nan 0.000 0.486 592 N N -0.651 118.048 118.700 -0.000 0.000 2.994 592 N HA -0.208 4.533 4.740 0.000 0.000 0.221 592 N C 0.733 176.243 175.510 0.000 0.000 0.900 592 N CA 0.712 53.763 53.050 0.002 0.000 1.008 592 N CB -0.492 37.996 38.487 0.001 0.000 1.053 592 N HN 0.756 nan 8.380 nan 0.000 0.580 593 A N 0.619 123.438 122.820 -0.002 0.000 1.873 593 A HA -0.123 4.197 4.320 0.000 0.000 0.218 593 A C 2.194 179.779 177.584 0.002 0.000 1.193 593 A CA 2.342 54.377 52.037 -0.003 0.000 0.629 593 A CB -0.788 18.209 19.000 -0.006 0.000 0.826 593 A HN 0.197 nan 8.150 nan 0.000 0.447 594 V N -0.386 119.532 119.914 0.006 0.000 2.427 594 V HA -0.181 3.939 4.120 0.000 0.000 0.248 594 V C 3.041 179.142 176.094 0.011 0.000 1.051 594 V CA 1.797 64.104 62.300 0.011 0.000 1.048 594 V CB -1.129 30.703 31.823 0.016 0.000 0.666 594 V HN 0.648 nan 8.190 nan 0.000 0.456 595 A N -0.279 122.545 122.820 0.008 0.000 1.908 595 A HA -0.236 4.085 4.320 0.000 0.000 0.218 595 A C 2.395 179.982 177.584 0.005 0.000 1.181 595 A CA 2.584 54.624 52.037 0.004 0.000 0.627 595 A CB -0.920 18.082 19.000 0.004 0.000 0.818 595 A HN 0.500 nan 8.150 nan 0.000 0.445 596 T N -0.374 114.184 114.554 0.007 0.000 2.821 596 T HA 0.010 4.361 4.350 0.000 0.000 0.267 596 T C 1.988 176.698 174.700 0.017 0.000 1.046 596 T CA 1.253 63.358 62.100 0.008 0.000 1.139 596 T CB -0.608 68.261 68.868 0.002 0.000 0.871 596 T HN 0.590 nan 8.240 nan 0.000 0.454 597 G N 1.886 110.696 108.800 0.016 0.000 2.476 597 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 597 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 597 G C 1.474 176.400 174.900 0.042 0.000 1.164 597 G CA 0.634 45.749 45.100 0.024 0.000 0.768 597 G HN 0.450 nan 8.290 nan 0.000 0.560 598 L N 0.000 121.245 121.223 0.037 0.000 2.042 598 L HA -0.073 4.267 4.340 0.000 0.000 0.210 598 L C 2.812 179.738 176.870 0.092 0.000 1.076 598 L CA 0.930 55.800 54.840 0.049 0.000 0.749 598 L CB -0.395 41.672 42.059 0.013 0.000 0.893 598 L HN 0.226 nan 8.230 nan 0.000 0.432 599 I N -0.888 119.726 120.570 0.074 0.000 2.761 599 I HA -0.206 3.964 4.170 0.000 0.000 0.261 599 I C 2.243 178.489 176.117 0.215 0.000 1.198 599 I CA 0.349 61.728 61.300 0.132 0.000 1.482 599 I CB 0.033 38.064 38.000 0.051 0.000 1.100 599 I HN 0.232 nan 8.210 nan 0.000 0.445 600 L N -0.171 121.127 121.223 0.125 0.000 2.068 600 L HA -0.112 4.229 4.340 0.000 0.000 0.204 600 L C 2.639 179.581 176.870 0.120 0.000 1.076 600 L CA 1.589 56.488 54.840 0.098 0.000 0.753 600 L CB -1.263 40.820 42.059 0.041 0.000 0.910 600 L HN 0.210 nan 8.230 nan 0.000 0.439 601 S N -1.091 114.677 115.700 0.113 0.000 2.442 601 S HA -0.235 4.235 4.470 0.000 0.000 0.236 601 S C 1.730 176.413 174.600 0.138 0.000 1.007 601 S CA 0.993 59.247 58.200 0.089 0.000 0.965 601 S CB -0.320 62.928 63.200 0.081 0.000 0.773 601 S HN 0.544 nan 8.310 nan 0.000 0.504 602 W N 0.825 122.131 121.300 0.010 0.000 2.576 602 W HA 0.152 4.813 4.660 0.000 0.000 0.275 602 W C 2.082 178.623 176.519 0.036 0.000 1.241 602 W CA 1.206 58.567 57.345 0.026 0.000 1.328 602 W CB -0.642 28.847 29.460 0.049 0.000 1.092 602 W HN 0.415 nan 8.180 nan 0.000 0.586 603 H N 0.155 119.150 119.070 -0.124 0.000 2.423 603 H HA -0.107 4.450 4.556 0.000 0.000 0.297 603 H C 2.098 177.044 175.328 -0.637 0.000 1.075 603 H CA 1.180 56.985 56.048 -0.404 0.000 1.342 603 H CB 0.263 29.937 29.762 -0.147 0.000 1.395 603 H HN -0.023 nan 8.280 nan 0.000 0.530 604 K N 1.154 121.348 120.400 -0.343 0.000 2.001 604 K HA -0.110 4.210 4.320 0.000 0.000 0.208 604 K C 1.009 177.284 176.600 -0.542 0.000 1.048 604 K CA 1.240 57.261 56.287 -0.443 0.000 0.932 604 K CB -0.105 32.282 32.500 -0.188 0.000 0.715 604 K HN 0.620 nan 8.250 nan 0.000 0.437 605 E N 0.985 120.989 120.200 -0.325 0.000 2.354 605 E HA 0.053 4.404 4.350 0.000 0.000 0.260 605 E C -0.357 176.103 176.600 -0.234 0.000 1.405 605 E CA -0.530 55.741 56.400 -0.215 0.000 1.728 605 E CB -0.763 28.892 29.700 -0.075 0.000 1.471 605 E HN -0.106 nan 8.360 nan 0.000 0.441 606 F N 0.000 119.755 119.950 -0.325 0.000 2.286 606 F HA 0.000 4.527 4.527 0.000 0.000 0.279 606 F CA 0.000 57.710 58.000 -0.483 0.000 1.383 606 F CB 0.000 38.793 39.000 -0.345 0.000 1.145 606 F HN 0.000 nan 8.300 nan 0.000 0.574