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 1dg1_1_G DATA FIRST_RESID 9 DATA SEQUENCE KPHVNVGTIG HVDHGKTTLT AAITTVLAKT YGGAARAFDQ IDNAPEEKAR DATA SEQUENCE GITINTSHVE YDTPTRHYAH VDCPGHADYV KNMITGAAQM DGAILVVAAT DATA SEQUENCE DGPMPQTREH ILLGRQVGVP YIIVFLNKCD MVDDEELLEL VEMEVRELLS DATA SEQUENCE QYDFPGDDTP IVRGSALKAL EGDAEWEAKI LELAGFLDSY IPEPERAIDK DATA SEQUENCE PFLLPIEDVF SISGRGTVVT GRVERGIIKV GEEVEIVGIK ETQKSTCTGV DATA SEQUENCE EMFRKLLDEG RAGENVGVLL RGIKREEIER GQVLAKPGTI KPHTKFESEV DATA SEQUENCE YILSKDEGGR HTPFFKGYRP QFYFRTTDVT GTIELPEGVE MVMPGDNIKM DATA SEQUENCE VVTLIHPIAM DDGLRFAIRE GGRTVGAGVV AKVLS 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.595 176.600 -0.008 0.000 0.988 9 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 9 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 10 P HA 0.031 nan 4.420 nan 0.000 0.269 10 P C -1.216 176.064 177.300 -0.032 0.000 1.209 10 P CA -0.186 62.898 63.100 -0.028 0.000 0.776 10 P CB 0.391 32.054 31.700 -0.061 0.000 0.876 11 H N 2.267 121.287 119.070 -0.084 0.000 2.551 11 H HA 0.416 4.972 4.556 0.000 0.000 0.321 11 H C -1.289 173.974 175.328 -0.107 0.000 1.028 11 H CA -0.465 55.539 56.048 -0.073 0.000 1.215 11 H CB 0.753 30.520 29.762 0.009 0.000 1.414 11 H HN 0.027 nan 8.280 nan 0.000 0.480 12 V N 5.317 124.977 119.914 -0.423 0.000 2.715 12 V HA 0.289 4.409 4.120 0.001 0.000 0.310 12 V C 0.045 176.029 176.094 -0.183 0.000 1.054 12 V CA -1.069 61.108 62.300 -0.205 0.000 0.928 12 V CB 2.008 33.709 31.823 -0.203 0.000 1.007 12 V HN 0.759 nan 8.190 nan 0.000 0.437 13 N N 2.335 121.051 118.700 0.026 0.000 2.392 13 N HA 0.700 5.440 4.740 0.001 0.000 0.283 13 N C -0.646 174.902 175.510 0.063 0.000 1.003 13 N CA -0.176 52.908 53.050 0.057 0.000 0.892 13 N CB 2.536 41.094 38.487 0.118 0.000 1.193 13 N HN 0.628 nan 8.380 nan 0.000 0.487 14 V N -1.463 118.463 119.914 0.019 0.000 3.105 14 V HA 1.040 5.161 4.120 0.001 0.000 0.311 14 V C 0.110 176.060 176.094 -0.240 0.000 1.287 14 V CA -0.874 61.400 62.300 -0.042 0.000 1.066 14 V CB 1.675 33.507 31.823 0.016 0.000 1.105 14 V HN 0.693 nan 8.190 nan 0.000 0.462 15 G N -0.386 108.206 108.800 -0.348 0.000 2.601 15 G HA2 0.649 4.609 3.960 0.001 0.000 0.291 15 G HA3 0.649 4.609 3.960 0.001 0.000 0.291 15 G C -0.854 173.826 174.900 -0.367 0.000 1.456 15 G CA 0.041 44.822 45.100 -0.531 0.000 0.804 15 G HN 1.286 nan 8.290 nan 0.000 0.499 16 T N -0.772 113.639 114.554 -0.240 0.000 2.907 16 T HA 0.747 5.097 4.350 0.001 0.000 0.284 16 T C 0.293 174.875 174.700 -0.197 0.000 1.004 16 T CA -0.466 61.585 62.100 -0.081 0.000 1.063 16 T CB 1.369 70.292 68.868 0.092 0.000 0.992 16 T HN 1.193 nan 8.240 nan 0.000 0.483 17 I N -2.163 118.246 120.570 -0.269 0.000 3.006 17 I HA 0.921 5.092 4.170 0.001 0.000 0.306 17 I C -0.141 175.891 176.117 -0.142 0.000 1.250 17 I CA -1.123 59.855 61.300 -0.537 0.000 0.996 17 I CB 2.022 39.664 38.000 -0.596 0.000 1.261 17 I HN 1.095 nan 8.210 nan 0.000 0.442 18 G N 1.297 110.173 108.800 0.126 0.000 2.368 18 G HA2 0.178 4.138 3.960 0.001 0.000 0.302 18 G HA3 0.178 4.138 3.960 0.001 0.000 0.302 18 G C -1.997 173.080 174.900 0.295 0.000 1.329 18 G CA -0.915 44.332 45.100 0.245 0.000 0.935 18 G HN 1.153 nan 8.290 nan 0.000 0.590 19 H N -0.472 118.762 119.070 0.273 0.000 2.690 19 H HA 0.500 5.056 4.556 0.001 0.000 0.365 19 H C 1.428 176.759 175.328 0.006 0.000 1.142 19 H CA 0.625 56.738 56.048 0.110 0.000 1.417 19 H CB 1.152 30.970 29.762 0.093 0.000 1.446 19 H HN 1.035 nan 8.280 nan 0.000 0.599 20 V N 1.230 120.861 119.914 -0.472 0.000 3.061 20 V HA -0.019 4.102 4.120 0.001 0.000 0.306 20 V C 0.551 176.520 176.094 -0.208 0.000 1.118 20 V CA 0.383 62.521 62.300 -0.269 0.000 1.231 20 V CB 0.190 31.833 31.823 -0.300 0.000 0.956 20 V HN 1.156 nan 8.190 nan 0.000 0.499 21 D N -0.358 120.004 120.400 -0.064 0.000 3.070 21 D HA -0.230 4.410 4.640 0.001 0.000 0.220 21 D C 0.768 177.091 176.300 0.037 0.000 1.176 21 D CA 1.902 55.893 54.000 -0.015 0.000 0.924 21 D CB -1.448 39.329 40.800 -0.038 0.000 1.124 21 D HN 1.013 nan 8.370 nan 0.000 0.411 22 H N -1.509 117.618 119.070 0.096 0.000 2.482 22 H HA 0.274 4.830 4.556 0.000 0.000 0.286 22 H C 1.992 177.375 175.328 0.092 0.000 1.017 22 H CA 0.684 56.791 56.048 0.098 0.000 1.322 22 H CB 0.542 30.371 29.762 0.112 0.000 1.426 22 H HN 0.275 nan 8.280 nan 0.000 0.546 23 G N 0.089 109.012 108.800 0.205 0.000 2.155 23 G HA2 -0.196 3.765 3.960 0.001 0.000 0.130 23 G HA3 -0.196 3.765 3.960 0.001 0.000 0.130 23 G C 0.858 175.817 174.900 0.098 0.000 1.027 23 G CA 0.094 45.282 45.100 0.147 0.000 0.705 23 G HN 0.241 nan 8.290 nan 0.000 0.496 24 K N 0.080 120.543 120.400 0.105 0.000 2.032 24 K HA -0.081 4.239 4.320 0.001 0.000 0.209 24 K C 2.517 179.123 176.600 0.011 0.000 1.048 24 K CA 2.087 58.417 56.287 0.072 0.000 0.927 24 K CB -0.312 32.258 32.500 0.118 0.000 0.712 24 K HN 0.325 nan 8.250 nan 0.000 0.441 25 T N 0.472 115.006 114.554 -0.034 0.000 2.812 25 T HA -0.090 4.260 4.350 0.001 0.000 0.264 25 T C 1.971 176.537 174.700 -0.223 0.000 1.042 25 T CA 1.619 63.589 62.100 -0.217 0.000 1.140 25 T CB -0.361 68.245 68.868 -0.437 0.000 0.870 25 T HN 0.249 nan 8.240 nan 0.000 0.445 26 T N 2.460 117.028 114.554 0.023 0.000 2.788 26 T HA -0.011 4.340 4.350 0.001 0.000 0.268 26 T C 1.894 176.586 174.700 -0.013 0.000 1.044 26 T CA 0.770 62.976 62.100 0.178 0.000 1.139 26 T CB -0.416 68.591 68.868 0.232 0.000 0.867 26 T HN 0.125 nan 8.240 nan 0.000 0.454 27 L N 1.206 122.373 121.223 -0.092 0.000 2.027 27 L HA -0.057 4.284 4.340 0.001 0.000 0.206 27 L C 2.500 179.217 176.870 -0.255 0.000 1.074 27 L CA 1.873 56.571 54.840 -0.237 0.000 0.745 27 L CB -1.307 40.561 42.059 -0.319 0.000 0.898 27 L HN 0.149 nan 8.230 nan 0.000 0.433 28 T N 0.124 114.546 114.554 -0.220 0.000 2.699 28 T HA -0.240 4.111 4.350 0.001 0.000 0.268 28 T C 1.870 176.381 174.700 -0.316 0.000 1.036 28 T CA 1.576 63.465 62.100 -0.351 0.000 1.147 28 T CB -0.622 68.064 68.868 -0.303 0.000 0.862 28 T HN 0.556 nan 8.240 nan 0.000 0.446 29 A N 1.291 123.987 122.820 -0.206 0.000 1.897 29 A HA 0.273 4.594 4.320 0.001 0.000 0.215 29 A C 2.678 180.187 177.584 -0.125 0.000 1.181 29 A CA 1.649 53.609 52.037 -0.128 0.000 0.620 29 A CB -1.114 17.875 19.000 -0.017 0.000 0.821 29 A HN 0.502 nan 8.150 nan 0.000 0.443 30 A N 0.072 122.816 122.820 -0.127 0.000 1.940 30 A HA -0.111 4.209 4.320 0.001 0.000 0.219 30 A C 2.104 179.572 177.584 -0.193 0.000 1.176 30 A CA 1.551 53.513 52.037 -0.126 0.000 0.631 30 A CB -0.643 18.286 19.000 -0.119 0.000 0.814 30 A HN 0.515 nan 8.150 nan 0.000 0.446 31 I N 0.178 120.567 120.570 -0.303 0.000 2.127 31 I HA -0.267 3.903 4.170 0.001 0.000 0.241 31 I C 2.921 178.796 176.117 -0.404 0.000 1.075 31 I CA 1.980 63.019 61.300 -0.435 0.000 1.334 31 I CB -0.781 36.793 38.000 -0.710 0.000 1.040 31 I HN 0.555 nan 8.210 nan 0.000 0.405 32 T N -2.465 111.883 114.554 -0.344 0.000 2.881 32 T HA -0.145 4.205 4.350 0.001 0.000 0.270 32 T C 1.729 176.372 174.700 -0.094 0.000 1.068 32 T CA 1.873 63.870 62.100 -0.172 0.000 1.131 32 T CB -0.715 68.107 68.868 -0.076 0.000 0.871 32 T HN 0.258 nan 8.240 nan 0.000 0.479 33 T N 1.617 116.110 114.554 -0.102 0.000 2.735 33 T HA 0.039 4.389 4.350 0.001 0.000 0.256 33 T C 2.166 176.822 174.700 -0.074 0.000 1.042 33 T CA 1.175 63.237 62.100 -0.064 0.000 1.147 33 T CB -0.581 68.257 68.868 -0.050 0.000 0.865 33 T HN 0.235 nan 8.240 nan 0.000 0.421 34 V N 1.884 121.739 119.914 -0.098 0.000 2.343 34 V HA -0.105 4.015 4.120 0.001 0.000 0.247 34 V C 2.534 178.539 176.094 -0.149 0.000 1.051 34 V CA 1.448 63.681 62.300 -0.112 0.000 1.036 34 V CB -0.738 31.023 31.823 -0.103 0.000 0.654 34 V HN 0.417 nan 8.190 nan 0.000 0.451 35 L N -0.071 121.076 121.223 -0.127 0.000 2.093 35 L HA -0.140 4.200 4.340 0.001 0.000 0.208 35 L C 2.725 179.587 176.870 -0.014 0.000 1.085 35 L CA 1.510 56.316 54.840 -0.057 0.000 0.755 35 L CB -0.813 41.276 42.059 0.050 0.000 0.904 35 L HN 0.382 nan 8.230 nan 0.000 0.435 36 A N 0.089 122.904 122.820 -0.008 0.000 1.898 36 A HA -0.239 4.082 4.320 0.001 0.000 0.216 36 A C 2.406 179.982 177.584 -0.014 0.000 1.181 36 A CA 1.787 53.836 52.037 0.020 0.000 0.620 36 A CB -0.375 18.636 19.000 0.019 0.000 0.819 36 A HN 0.304 nan 8.150 nan 0.000 0.442 37 K N -1.010 119.356 120.400 -0.055 0.000 2.097 37 K HA -0.103 4.217 4.320 0.001 0.000 0.205 37 K C 1.788 178.323 176.600 -0.108 0.000 1.050 37 K CA 1.794 58.041 56.287 -0.066 0.000 0.938 37 K CB -0.109 32.348 32.500 -0.071 0.000 0.718 37 K HN 0.509 nan 8.250 nan 0.000 0.442 38 T N -0.677 113.748 114.554 -0.215 0.000 2.904 38 T HA -0.014 4.336 4.350 0.001 0.000 0.243 38 T C 0.785 175.312 174.700 -0.288 0.000 1.024 38 T CA 0.803 62.677 62.100 -0.377 0.000 1.158 38 T CB -0.168 68.240 68.868 -0.767 0.000 0.867 38 T HN 0.171 nan 8.240 nan 0.000 0.429 39 Y N 1.468 121.785 120.300 0.028 0.000 2.555 39 Y HA 0.543 5.093 4.550 0.001 0.000 0.259 39 Y C 1.260 177.188 175.900 0.047 0.000 1.179 39 Y CA -1.009 57.114 58.100 0.040 0.000 1.230 39 Y CB -0.294 38.199 38.460 0.055 0.000 1.146 39 Y HN 0.373 nan 8.280 nan 0.000 0.526 40 G N -0.225 108.656 108.800 0.136 0.000 2.862 40 G HA2 0.380 4.341 3.960 0.001 0.000 0.686 40 G HA3 0.380 4.341 3.960 0.001 0.000 0.686 40 G C -0.068 174.905 174.900 0.122 0.000 1.134 40 G CA -0.310 44.855 45.100 0.108 0.000 0.791 40 G HN 1.029 nan 8.290 nan 0.000 0.592 41 G N -0.414 108.441 108.800 0.092 0.000 2.352 41 G HA2 0.754 4.714 3.960 0.001 0.000 0.283 41 G HA3 0.754 4.714 3.960 0.001 0.000 0.283 41 G C -0.501 174.442 174.900 0.072 0.000 1.308 41 G CA 0.835 45.995 45.100 0.101 0.000 0.892 41 G HN 2.692 nan 8.290 nan 0.000 0.504 42 A N -0.802 122.063 122.820 0.076 0.000 2.343 42 A HA 0.980 5.300 4.320 0.001 0.000 0.308 42 A C 0.351 177.962 177.584 0.045 0.000 1.092 42 A CA 0.625 52.694 52.037 0.054 0.000 0.751 42 A CB 1.094 20.128 19.000 0.056 0.000 1.203 42 A HN 2.449 nan 8.150 nan 0.000 0.452 43 A N 1.899 124.735 122.820 0.025 0.000 2.407 43 A HA 0.633 4.954 4.320 0.001 0.000 0.248 43 A C 0.387 177.981 177.584 0.017 0.000 1.082 43 A CA -0.066 51.978 52.037 0.010 0.000 0.785 43 A CB 0.157 19.159 19.000 0.003 0.000 1.020 43 A HN 0.810 nan 8.150 nan 0.000 0.489 44 R N 1.112 121.616 120.500 0.008 0.000 2.494 44 R HA 0.597 4.937 4.340 0.001 0.000 0.305 44 R C -0.074 176.234 176.300 0.014 0.000 0.959 44 R CA 0.192 56.299 56.100 0.012 0.000 0.864 44 R CB 1.272 31.575 30.300 0.004 0.000 1.159 44 R HN 0.974 nan 8.270 nan 0.000 0.446 45 A N 4.364 127.203 122.820 0.032 0.000 2.462 45 A HA 0.117 4.438 4.320 0.001 0.000 0.243 45 A C 0.777 178.419 177.584 0.097 0.000 1.076 45 A CA -0.258 51.819 52.037 0.066 0.000 0.773 45 A CB -0.150 18.889 19.000 0.065 0.000 1.010 45 A HN 0.881 nan 8.150 nan 0.000 0.493 46 F N 1.795 121.729 119.950 -0.026 0.000 2.043 46 F HA -0.278 4.249 4.527 0.000 0.000 0.297 46 F C 1.671 177.460 175.800 -0.019 0.000 1.118 46 F CA 2.821 60.804 58.000 -0.028 0.000 1.202 46 F CB -0.188 38.795 39.000 -0.029 0.000 0.965 46 F HN 0.710 nan 8.300 nan 0.000 0.482 47 D N 0.028 120.686 120.400 0.430 0.000 2.133 47 D HA -0.258 4.382 4.640 0.001 0.000 0.192 47 D C 2.226 178.575 176.300 0.082 0.000 1.001 47 D CA 1.893 56.054 54.000 0.270 0.000 0.844 47 D CB -0.699 40.205 40.800 0.173 0.000 0.944 47 D HN 0.460 nan 8.370 nan 0.000 0.447 48 Q N -0.332 119.497 119.800 0.047 0.000 2.226 48 Q HA -0.042 4.298 4.340 0.001 0.000 0.204 48 Q C 2.300 178.279 176.000 -0.035 0.000 0.975 48 Q CA 0.728 56.536 55.803 0.009 0.000 0.866 48 Q CB 0.028 28.776 28.738 0.017 0.000 0.915 48 Q HN 0.394 nan 8.270 nan 0.000 0.440 49 I N -0.394 120.119 120.570 -0.094 0.000 2.333 49 I HA -0.182 3.988 4.170 0.001 0.000 0.246 49 I C 1.846 177.844 176.117 -0.199 0.000 1.106 49 I CA 0.962 62.169 61.300 -0.155 0.000 1.411 49 I CB -0.151 37.705 38.000 -0.241 0.000 1.082 49 I HN 0.178 nan 8.210 nan 0.000 0.420 50 D N 1.381 121.616 120.400 -0.275 0.000 2.092 50 D HA -0.187 4.454 4.640 0.001 0.000 0.193 50 D C 1.201 177.450 176.300 -0.085 0.000 0.994 50 D CA 1.184 55.049 54.000 -0.225 0.000 0.828 50 D CB -0.074 40.642 40.800 -0.140 0.000 0.963 50 D HN 0.096 nan 8.370 nan 0.000 0.450 51 N N 0.746 119.423 118.700 -0.037 0.000 3.050 51 N HA 0.206 4.946 4.740 0.001 0.000 0.289 51 N C -0.859 174.632 175.510 -0.032 0.000 1.209 51 N CA -0.145 52.895 53.050 -0.018 0.000 1.154 51 N CB 0.452 38.944 38.487 0.008 0.000 1.444 51 N HN 0.179 nan 8.380 nan 0.000 0.529 52 A N 2.925 125.712 122.820 -0.054 0.000 2.520 52 A HA 0.187 4.508 4.320 0.001 0.000 0.245 52 A C -1.766 175.796 177.584 -0.036 0.000 1.072 52 A CA -0.752 51.251 52.037 -0.056 0.000 0.761 52 A CB 0.045 18.988 19.000 -0.095 0.000 1.004 52 A HN 0.329 nan 8.150 nan 0.000 0.499 53 P HA 0.237 nan 4.420 nan 0.000 0.276 53 P C -0.560 176.735 177.300 -0.009 0.000 1.244 53 P CA -0.359 62.738 63.100 -0.005 0.000 0.801 53 P CB 0.829 32.535 31.700 0.011 0.000 1.006 54 E N 0.836 121.030 120.200 -0.010 0.000 2.313 54 E HA 0.251 4.602 4.350 0.001 0.000 0.272 54 E C -0.311 176.286 176.600 -0.005 0.000 1.038 54 E CA -0.268 56.123 56.400 -0.015 0.000 0.863 54 E CB 0.848 30.538 29.700 -0.017 0.000 1.060 54 E HN 0.423 nan 8.360 nan 0.000 0.402 55 E N 1.593 121.789 120.200 -0.007 0.000 2.256 55 E HA 0.185 4.535 4.350 0.001 0.000 0.268 55 E C -0.950 175.643 176.600 -0.012 0.000 0.877 55 E CA -0.618 55.781 56.400 -0.001 0.000 0.757 55 E CB 2.038 31.752 29.700 0.022 0.000 1.183 55 E HN 0.123 nan 8.360 nan 0.000 0.418 56 K N 2.041 122.434 120.400 -0.011 0.000 2.180 56 K HA 0.290 4.611 4.320 0.001 0.000 0.250 56 K C -0.692 175.900 176.600 -0.013 0.000 1.135 56 K CA -0.207 56.073 56.287 -0.012 0.000 1.037 56 K CB 0.169 32.664 32.500 -0.008 0.000 1.624 56 K HN 0.528 nan 8.250 nan 0.000 0.382 57 A N 4.418 127.227 122.820 -0.017 0.000 2.906 57 A HA 0.112 4.432 4.320 0.001 0.000 0.289 57 A C -0.254 177.321 177.584 -0.014 0.000 1.675 57 A CA -0.149 51.877 52.037 -0.017 0.000 1.372 57 A CB -0.427 18.558 19.000 -0.025 0.000 1.091 57 A HN 0.974 nan 8.150 nan 0.000 0.579 58 R N 0.628 121.123 120.500 -0.009 0.000 3.144 58 R HA -0.223 4.117 4.340 0.001 0.000 0.255 58 R C 1.179 177.478 176.300 -0.001 0.000 0.949 58 R CA 0.552 56.649 56.100 -0.006 0.000 0.649 58 R CB -2.193 28.104 30.300 -0.006 0.000 1.229 58 R HN 2.133 nan 8.270 nan 0.000 0.440 59 G N -0.054 108.745 108.800 -0.001 0.000 2.550 59 G HA2 -0.373 3.588 3.960 0.001 0.000 0.233 59 G HA3 -0.373 3.588 3.960 0.001 0.000 0.233 59 G C 0.502 175.411 174.900 0.016 0.000 1.170 59 G CA 0.382 45.485 45.100 0.005 0.000 0.693 59 G HN 0.426 nan 8.290 nan 0.000 0.512 60 I N 2.272 122.855 120.570 0.021 0.000 2.634 60 I HA 0.367 4.537 4.170 0.001 0.000 0.284 60 I C 0.335 176.444 176.117 -0.013 0.000 1.124 60 I CA 0.354 61.670 61.300 0.026 0.000 1.417 60 I CB 1.151 39.161 38.000 0.017 0.000 1.396 60 I HN 0.125 nan 8.210 nan 0.000 0.571 61 T N 7.044 121.586 114.554 -0.021 0.000 2.792 61 T HA 0.671 5.021 4.350 0.001 0.000 0.280 61 T C -0.250 174.405 174.700 -0.075 0.000 0.990 61 T CA -0.388 61.691 62.100 -0.035 0.000 0.960 61 T CB 0.998 69.856 68.868 -0.017 0.000 0.939 61 T HN 0.282 nan 8.240 nan 0.000 0.439 62 I N 2.232 122.754 120.570 -0.080 0.000 2.828 62 I HA 0.460 4.630 4.170 0.001 0.000 0.302 62 I C -0.686 175.375 176.117 -0.093 0.000 1.101 62 I CA -1.284 59.947 61.300 -0.115 0.000 1.031 62 I CB 2.359 40.276 38.000 -0.139 0.000 1.231 62 I HN 0.415 nan 8.210 nan 0.000 0.427 63 N N 2.255 120.880 118.700 -0.124 0.000 2.426 63 N HA 0.545 5.285 4.740 0.001 0.000 0.257 63 N C -1.291 174.122 175.510 -0.161 0.000 1.002 63 N CA -0.182 52.800 53.050 -0.113 0.000 0.942 63 N CB 1.512 39.932 38.487 -0.112 0.000 1.112 63 N HN 0.538 nan 8.380 nan 0.000 0.499 64 T N 0.512 114.993 114.554 -0.121 0.000 2.971 64 T HA 0.384 4.734 4.350 0.001 0.000 0.304 64 T C -0.600 174.001 174.700 -0.165 0.000 1.038 64 T CA -0.631 61.349 62.100 -0.200 0.000 1.007 64 T CB 1.271 70.013 68.868 -0.210 0.000 1.055 64 T HN 0.169 nan 8.240 nan 0.000 0.451 65 S N 2.686 118.257 115.700 -0.214 0.000 2.480 65 S HA 0.423 4.894 4.470 0.001 0.000 0.286 65 S C -0.609 173.867 174.600 -0.205 0.000 1.180 65 S CA -0.750 57.380 58.200 -0.117 0.000 1.075 65 S CB 0.310 63.458 63.200 -0.087 0.000 0.996 65 S HN 0.576 nan 8.310 nan 0.000 0.487 66 H N 1.951 121.036 119.070 0.026 0.000 2.511 66 H HA 0.513 5.069 4.556 0.000 0.000 0.328 66 H C -0.194 175.170 175.328 0.060 0.000 1.044 66 H CA -0.522 55.560 56.048 0.056 0.000 1.212 66 H CB 1.369 31.157 29.762 0.044 0.000 1.428 66 H HN 0.477 nan 8.280 nan 0.000 0.483 67 V N 0.881 120.897 119.914 0.169 0.000 2.960 67 V HA 0.633 4.753 4.120 0.001 0.000 0.315 67 V C -0.371 175.787 176.094 0.106 0.000 1.087 67 V CA -0.872 61.503 62.300 0.124 0.000 0.982 67 V CB 2.902 34.767 31.823 0.069 0.000 1.039 67 V HN 0.721 nan 8.190 nan 0.000 0.437 68 E N 1.593 121.844 120.200 0.086 0.000 2.317 68 E HA 0.757 5.107 4.350 0.001 0.000 0.270 68 E C -1.934 174.681 176.600 0.025 0.000 0.885 68 E CA -0.589 55.773 56.400 -0.063 0.000 0.760 68 E CB 2.636 32.394 29.700 0.097 0.000 1.227 68 E HN 0.910 nan 8.360 nan 0.000 0.434 69 Y N -1.518 118.719 120.300 -0.104 0.000 2.641 69 Y HA 0.564 5.114 4.550 0.000 0.000 0.333 69 Y C -1.704 174.226 175.900 0.051 0.000 1.174 69 Y CA -1.325 56.778 58.100 0.005 0.000 1.057 69 Y CB 1.187 39.647 38.460 0.001 0.000 1.322 69 Y HN 0.255 nan 8.280 nan 0.000 0.457 70 D N 0.839 121.449 120.400 0.349 0.000 2.457 70 D HA 0.593 5.233 4.640 0.001 0.000 0.240 70 D C -0.514 175.979 176.300 0.321 0.000 1.041 70 D CA -0.578 53.604 54.000 0.303 0.000 0.861 70 D CB 2.233 43.178 40.800 0.241 0.000 1.394 70 D HN 0.804 nan 8.370 nan 0.000 0.473 71 T N -1.960 112.736 114.554 0.237 0.000 2.922 71 T HA 0.447 4.797 4.350 0.001 0.000 0.281 71 T C -1.969 172.637 174.700 -0.157 0.000 1.005 71 T CA -1.820 60.286 62.100 0.009 0.000 0.982 71 T CB 1.323 70.258 68.868 0.111 0.000 1.158 71 T HN -0.023 nan 8.240 nan 0.000 0.566 72 P HA -0.019 nan 4.420 nan 0.000 0.218 72 P C 1.512 178.751 177.300 -0.102 0.000 1.149 72 P CA 1.211 64.168 63.100 -0.239 0.000 0.817 72 P CB -0.157 31.368 31.700 -0.291 0.000 0.785 73 T N -4.803 109.700 114.554 -0.084 0.000 3.039 73 T HA 0.226 4.577 4.350 0.001 0.000 0.250 73 T C 0.932 175.604 174.700 -0.046 0.000 1.052 73 T CA 0.048 62.119 62.100 -0.048 0.000 1.125 73 T CB 0.158 69.001 68.868 -0.041 0.000 0.908 73 T HN -0.017 nan 8.240 nan 0.000 0.473 74 R N 0.098 120.566 120.500 -0.053 0.000 2.888 74 R HA 0.490 4.831 4.340 0.001 0.000 0.264 74 R C -1.260 174.949 176.300 -0.151 0.000 1.045 74 R CA -0.841 55.160 56.100 -0.165 0.000 0.962 74 R CB 1.387 31.453 30.300 -0.391 0.000 1.210 74 R HN 0.310 nan 8.270 nan 0.000 0.479 75 H N 1.166 120.017 119.070 -0.366 0.000 2.489 75 H HA 0.324 4.880 4.556 0.000 0.000 0.343 75 H C -1.334 173.616 175.328 -0.630 0.000 1.086 75 H CA -0.424 55.449 56.048 -0.292 0.000 1.198 75 H CB 0.945 30.626 29.762 -0.135 0.000 1.490 75 H HN 0.480 nan 8.280 nan 0.000 0.504 76 Y N 1.847 121.578 120.300 -0.949 0.000 2.409 76 Y HA 0.501 5.052 4.550 0.000 0.000 0.339 76 Y C 0.026 175.340 175.900 -0.976 0.000 1.033 76 Y CA -0.805 56.734 58.100 -0.935 0.000 1.094 76 Y CB 2.031 39.908 38.460 -0.971 0.000 1.210 76 Y HN 0.708 nan 8.280 nan 0.000 0.456 77 A N 3.126 125.677 122.820 -0.448 0.000 2.267 77 A HA 0.393 4.713 4.320 0.001 0.000 0.315 77 A C -1.407 176.175 177.584 -0.004 0.000 1.297 77 A CA -0.469 51.496 52.037 -0.121 0.000 0.865 77 A CB 0.103 19.184 19.000 0.136 0.000 1.165 77 A HN 0.776 nan 8.150 nan 0.000 0.513 78 H N 2.957 121.980 119.070 -0.078 0.000 2.481 78 H HA 0.564 5.120 4.556 0.001 0.000 0.333 78 H C -0.865 174.461 175.328 -0.005 0.000 1.066 78 H CA -0.269 55.779 56.048 -0.000 0.000 1.209 78 H CB 1.687 31.509 29.762 0.101 0.000 1.445 78 H HN 0.596 nan 8.280 nan 0.000 0.488 79 V N 2.677 122.563 119.914 -0.046 0.000 2.547 79 V HA 0.519 4.639 4.120 0.001 0.000 0.299 79 V C -0.484 175.611 176.094 0.003 0.000 1.040 79 V CA -0.802 61.437 62.300 -0.101 0.000 0.913 79 V CB 1.791 33.480 31.823 -0.222 0.000 0.992 79 V HN 0.804 nan 8.190 nan 0.000 0.449 80 D N 2.590 122.985 120.400 -0.008 0.000 2.855 80 D HA 0.584 5.224 4.640 0.001 0.000 0.241 80 D C -1.129 175.094 176.300 -0.129 0.000 1.277 80 D CA -0.073 53.964 54.000 0.061 0.000 0.918 80 D CB 1.709 42.566 40.800 0.094 0.000 1.462 80 D HN 0.942 nan 8.370 nan 0.000 0.559 81 C N 5.313 124.440 119.300 -0.287 0.000 2.376 81 C HA 0.540 5.000 4.460 0.001 0.000 0.335 81 C C -0.860 173.917 174.990 -0.356 0.000 1.229 81 C CA -1.180 57.489 59.018 -0.582 0.000 1.867 81 C CB 1.973 28.948 27.740 -1.276 0.000 2.319 81 C HN 0.609 nan 8.230 nan 0.000 0.515 82 P HA 0.056 nan 4.420 nan 0.000 0.217 82 P C 0.469 177.733 177.300 -0.061 0.000 1.151 82 P CA 1.256 64.289 63.100 -0.111 0.000 0.828 82 P CB 0.402 32.044 31.700 -0.097 0.000 0.788 83 G N -1.760 106.972 108.800 -0.114 0.000 2.533 83 G HA2 0.277 4.237 3.960 0.001 0.000 0.304 83 G HA3 0.277 4.237 3.960 0.001 0.000 0.304 83 G C 0.095 175.043 174.900 0.081 0.000 1.263 83 G CA -0.274 44.826 45.100 0.000 0.000 0.964 83 G HN 0.001 nan 8.290 nan 0.000 0.479 84 H N 1.438 120.594 119.070 0.143 0.000 2.394 84 H HA -0.162 4.394 4.556 0.001 0.000 0.297 84 H C 2.468 177.909 175.328 0.189 0.000 1.113 84 H CA 2.998 59.206 56.048 0.267 0.000 1.277 84 H CB 0.170 29.987 29.762 0.091 0.000 1.370 84 H HN 0.489 nan 8.280 nan 0.000 0.506 85 A N 0.172 122.958 122.820 -0.057 0.000 2.015 85 A HA -0.136 4.184 4.320 0.001 0.000 0.219 85 A C 1.996 179.461 177.584 -0.199 0.000 1.163 85 A CA 1.586 53.536 52.037 -0.144 0.000 0.646 85 A CB -0.192 18.785 19.000 -0.039 0.000 0.806 85 A HN 0.625 nan 8.150 nan 0.000 0.448 86 D N -1.576 118.698 120.400 -0.211 0.000 2.194 86 D HA -0.080 4.561 4.640 0.001 0.000 0.204 86 D C 1.440 177.547 176.300 -0.321 0.000 0.964 86 D CA 1.041 54.862 54.000 -0.299 0.000 0.846 86 D CB -0.183 40.392 40.800 -0.376 0.000 0.962 86 D HN 0.681 nan 8.370 nan 0.000 0.490 87 Y N 0.964 121.164 120.300 -0.167 0.000 2.263 87 Y HA -0.136 4.414 4.550 0.001 0.000 0.292 87 Y C 2.578 178.356 175.900 -0.203 0.000 1.130 87 Y CA 0.225 58.207 58.100 -0.197 0.000 1.179 87 Y CB -0.087 38.232 38.460 -0.234 0.000 0.998 87 Y HN -0.207 nan 8.280 nan 0.000 0.532 88 V N 0.424 120.276 119.914 -0.102 0.000 2.261 88 V HA -0.306 3.814 4.120 0.001 0.000 0.246 88 V C 2.080 178.085 176.094 -0.147 0.000 1.047 88 V CA 1.908 64.133 62.300 -0.126 0.000 1.015 88 V CB -0.541 31.166 31.823 -0.194 0.000 0.642 88 V HN 0.345 nan 8.190 nan 0.000 0.446 89 K N 0.064 120.307 120.400 -0.263 0.000 2.032 89 K HA -0.195 4.125 4.320 0.001 0.000 0.209 89 K C 2.149 178.618 176.600 -0.218 0.000 1.048 89 K CA 1.600 57.661 56.287 -0.377 0.000 0.927 89 K CB -0.400 31.776 32.500 -0.540 0.000 0.712 89 K HN 0.384 nan 8.250 nan 0.000 0.441 90 N N 0.836 119.434 118.700 -0.169 0.000 2.104 90 N HA -0.136 4.604 4.740 0.001 0.000 0.190 90 N C 1.797 177.272 175.510 -0.059 0.000 1.024 90 N CA 1.448 54.435 53.050 -0.105 0.000 0.853 90 N CB -0.063 38.366 38.487 -0.096 0.000 1.008 90 N HN 0.235 nan 8.380 nan 0.000 0.424 91 M N -0.060 119.514 119.600 -0.044 0.000 2.156 91 M HA -0.059 4.421 4.480 0.001 0.000 0.264 91 M C 1.803 178.092 176.300 -0.019 0.000 1.067 91 M CA 0.855 56.143 55.300 -0.019 0.000 1.131 91 M CB -0.069 32.526 32.600 -0.007 0.000 1.368 91 M HN 0.031 nan 8.290 nan 0.000 0.416 92 I N 0.535 121.087 120.570 -0.030 0.000 2.202 92 I HA -0.203 3.967 4.170 0.001 0.000 0.242 92 I C 2.740 178.829 176.117 -0.046 0.000 1.091 92 I CA 2.130 63.416 61.300 -0.024 0.000 1.368 92 I CB -1.793 36.205 38.000 -0.003 0.000 1.058 92 I HN 0.396 nan 8.210 nan 0.000 0.410 93 T N -1.504 113.016 114.554 -0.058 0.000 3.055 93 T HA 0.119 4.469 4.350 0.001 0.000 0.265 93 T C 1.628 176.306 174.700 -0.035 0.000 1.111 93 T CA 0.788 62.856 62.100 -0.053 0.000 1.118 93 T CB -0.270 68.563 68.868 -0.058 0.000 0.909 93 T HN 0.532 nan 8.240 nan 0.000 0.501 94 G N 0.876 109.659 108.800 -0.028 0.000 2.179 94 G HA2 -0.188 3.772 3.960 0.001 0.000 0.257 94 G HA3 -0.188 3.772 3.960 0.001 0.000 0.257 94 G C 1.081 175.980 174.900 -0.002 0.000 1.010 94 G CA 0.357 45.452 45.100 -0.008 0.000 0.736 94 G HN 1.079 nan 8.290 nan 0.000 0.513 95 A N -0.546 122.267 122.820 -0.012 0.000 1.902 95 A HA 0.511 4.831 4.320 0.001 0.000 0.217 95 A C 1.801 179.403 177.584 0.032 0.000 1.181 95 A CA 2.249 54.287 52.037 0.001 0.000 0.623 95 A CB -0.190 18.800 19.000 -0.015 0.000 0.818 95 A HN 2.150 nan 8.150 nan 0.000 0.443 96 A N 0.049 122.884 122.820 0.024 0.000 2.276 96 A HA 0.587 4.908 4.320 0.001 0.000 0.316 96 A C -0.291 177.314 177.584 0.036 0.000 1.229 96 A CA -0.552 51.514 52.037 0.048 0.000 0.851 96 A CB 0.384 19.389 19.000 0.008 0.000 1.165 96 A HN 0.527 nan 8.150 nan 0.000 0.513 97 Q N 1.536 121.369 119.800 0.055 0.000 2.245 97 Q HA 0.622 4.962 4.340 0.001 0.000 0.256 97 Q C -1.054 174.976 176.000 0.050 0.000 0.942 97 Q CA -0.113 55.720 55.803 0.051 0.000 0.896 97 Q CB 2.128 30.903 28.738 0.061 0.000 1.272 97 Q HN 0.757 nan 8.270 nan 0.000 0.442 98 M N 2.401 122.029 119.600 0.047 0.000 2.035 98 M HA 0.182 4.662 4.480 0.001 0.000 0.286 98 M C -0.579 175.769 176.300 0.080 0.000 0.907 98 M CA -0.390 54.937 55.300 0.045 0.000 0.935 98 M CB 1.478 34.087 32.600 0.015 0.000 1.557 98 M HN 0.597 nan 8.290 nan 0.000 0.426 99 D N 1.823 122.285 120.400 0.104 0.000 2.264 99 D HA 0.064 4.704 4.640 0.001 0.000 0.208 99 D C 0.914 177.345 176.300 0.218 0.000 0.966 99 D CA 0.867 54.957 54.000 0.150 0.000 0.864 99 D CB 0.604 41.484 40.800 0.134 0.000 0.933 99 D HN 0.758 nan 8.370 nan 0.000 0.499 100 G N -1.052 107.850 108.800 0.170 0.000 2.623 100 G HA2 0.602 4.562 3.960 0.001 0.000 0.290 100 G HA3 0.602 4.562 3.960 0.001 0.000 0.290 100 G C -1.869 173.084 174.900 0.089 0.000 1.437 100 G CA -0.096 45.123 45.100 0.199 0.000 0.798 100 G HN 0.174 nan 8.290 nan 0.000 0.488 101 A N -0.239 122.617 122.820 0.060 0.000 2.475 101 A HA 0.810 5.131 4.320 0.001 0.000 0.301 101 A C -0.979 176.590 177.584 -0.025 0.000 1.059 101 A CA -0.623 51.397 52.037 -0.028 0.000 0.710 101 A CB 1.315 20.265 19.000 -0.083 0.000 1.288 101 A HN 0.741 nan 8.150 nan 0.000 0.408 102 I N 2.345 122.888 120.570 -0.044 0.000 2.337 102 I HA 0.204 4.374 4.170 0.001 0.000 0.285 102 I C -0.583 175.516 176.117 -0.029 0.000 1.041 102 I CA -0.580 60.715 61.300 -0.007 0.000 1.199 102 I CB 1.265 39.282 38.000 0.027 0.000 1.370 102 I HN 0.563 nan 8.210 nan 0.000 0.470 103 L N 8.963 130.159 121.223 -0.044 0.000 2.385 103 L HA 0.279 4.620 4.340 0.001 0.000 0.281 103 L C -0.282 176.594 176.870 0.009 0.000 1.106 103 L CA 0.205 55.015 54.840 -0.050 0.000 0.856 103 L CB 0.791 42.795 42.059 -0.092 0.000 1.186 103 L HN 0.271 nan 8.230 nan 0.000 0.453 104 V N 6.501 126.435 119.914 0.033 0.000 2.406 104 V HA 0.401 4.521 4.120 0.001 0.000 0.272 104 V C -0.058 176.020 176.094 -0.027 0.000 1.043 104 V CA -0.503 61.847 62.300 0.084 0.000 0.915 104 V CB 1.315 33.209 31.823 0.118 0.000 0.988 104 V HN 0.533 nan 8.190 nan 0.000 0.466 105 V N 4.466 124.320 119.914 -0.099 0.000 2.483 105 V HA 0.641 4.761 4.120 0.001 0.000 0.297 105 V C 0.436 176.363 176.094 -0.279 0.000 1.027 105 V CA -0.733 61.368 62.300 -0.332 0.000 0.855 105 V CB 1.831 33.518 31.823 -0.227 0.000 0.995 105 V HN 0.964 nan 8.190 nan 0.000 0.424 106 A N 3.688 126.253 122.820 -0.424 0.000 2.454 106 A HA 0.624 4.945 4.320 0.001 0.000 0.260 106 A C 1.409 178.959 177.584 -0.057 0.000 1.106 106 A CA 0.390 52.395 52.037 -0.054 0.000 0.780 106 A CB 0.746 19.899 19.000 0.255 0.000 1.044 106 A HN 1.379 nan 8.150 nan 0.000 0.498 107 A N 2.260 125.060 122.820 -0.034 0.000 2.121 107 A HA -0.019 4.302 4.320 0.001 0.000 0.218 107 A C 2.093 179.673 177.584 -0.007 0.000 1.154 107 A CA 2.040 54.058 52.037 -0.032 0.000 0.679 107 A CB -0.843 18.139 19.000 -0.030 0.000 0.795 107 A HN 1.233 nan 8.150 nan 0.000 0.458 108 T N -3.712 110.852 114.554 0.017 0.000 3.023 108 T HA -0.017 4.334 4.350 0.001 0.000 0.266 108 T C 0.971 175.692 174.700 0.036 0.000 1.093 108 T CA 1.335 63.450 62.100 0.025 0.000 1.129 108 T CB -0.010 68.878 68.868 0.033 0.000 0.899 108 T HN 0.419 nan 8.240 nan 0.000 0.491 109 D N 0.295 120.731 120.400 0.059 0.000 2.448 109 D HA 0.308 4.949 4.640 0.001 0.000 0.256 109 D C 1.338 177.660 176.300 0.037 0.000 1.108 109 D CA 0.691 54.732 54.000 0.069 0.000 0.848 109 D CB 0.900 41.785 40.800 0.142 0.000 1.281 109 D HN 0.591 nan 8.370 nan 0.000 0.509 110 G N 2.014 110.811 108.800 -0.004 0.000 2.698 110 G HA2 -0.227 3.734 3.960 0.001 0.000 0.233 110 G HA3 -0.227 3.734 3.960 0.001 0.000 0.233 110 G C -2.649 172.212 174.900 -0.065 0.000 1.352 110 G CA -0.971 44.099 45.100 -0.050 0.000 0.879 110 G HN -0.001 nan 8.290 nan 0.000 0.567 111 P HA 0.380 nan 4.420 nan 0.000 0.265 111 P C 0.135 177.403 177.300 -0.054 0.000 1.193 111 P CA 0.392 63.458 63.100 -0.056 0.000 0.765 111 P CB 0.488 32.169 31.700 -0.032 0.000 0.823 112 M N 4.242 123.792 119.600 -0.082 0.000 2.755 112 M HA 0.336 4.817 4.480 0.001 0.000 0.298 112 M C -1.749 174.404 176.300 -0.245 0.000 1.251 112 M CA -2.702 52.428 55.300 -0.283 0.000 0.817 112 M CB 0.542 32.685 32.600 -0.762 0.000 1.760 112 M HN 0.018 nan 8.290 nan 0.000 0.473 113 P HA -0.205 nan 4.420 nan 0.000 0.219 113 P C 0.940 178.200 177.300 -0.068 0.000 1.158 113 P CA 1.956 64.994 63.100 -0.103 0.000 0.895 113 P CB 0.141 31.803 31.700 -0.063 0.000 0.792 114 Q N -1.966 117.868 119.800 0.057 0.000 2.369 114 Q HA -0.048 4.293 4.340 0.001 0.000 0.206 114 Q C 1.894 177.784 176.000 -0.183 0.000 0.963 114 Q CA 1.164 56.868 55.803 -0.166 0.000 0.894 114 Q CB -0.532 28.051 28.738 -0.258 0.000 0.965 114 Q HN 0.304 nan 8.270 nan 0.000 0.475 115 T N 0.650 115.196 114.554 -0.012 0.000 2.668 115 T HA -0.191 4.159 4.350 0.001 0.000 0.262 115 T C 1.684 176.379 174.700 -0.009 0.000 1.045 115 T CA 1.357 63.468 62.100 0.018 0.000 1.152 115 T CB -0.187 68.689 68.868 0.014 0.000 0.864 115 T HN 0.304 nan 8.240 nan 0.000 0.419 116 R N 1.036 121.527 120.500 -0.016 0.000 2.091 116 R HA -0.124 4.217 4.340 0.001 0.000 0.238 116 R C 2.353 178.584 176.300 -0.116 0.000 1.136 116 R CA 1.829 57.917 56.100 -0.020 0.000 0.959 116 R CB -0.197 30.137 30.300 0.055 0.000 0.856 116 R HN 0.477 nan 8.270 nan 0.000 0.437 117 E N -0.741 119.412 120.200 -0.077 0.000 2.077 117 E HA -0.210 4.140 4.350 0.001 0.000 0.193 117 E C 1.725 178.359 176.600 0.057 0.000 0.989 117 E CA 1.532 57.912 56.400 -0.034 0.000 0.800 117 E CB -0.016 29.666 29.700 -0.031 0.000 0.746 117 E HN 0.608 nan 8.360 nan 0.000 0.452 118 H N -0.602 118.464 119.070 -0.007 0.000 2.428 118 H HA -0.024 4.532 4.556 0.001 0.000 0.296 118 H C 2.125 177.402 175.328 -0.086 0.000 1.062 118 H CA 0.844 56.867 56.048 -0.041 0.000 1.350 118 H CB 0.221 29.933 29.762 -0.084 0.000 1.403 118 H HN 0.187 nan 8.280 nan 0.000 0.533 119 I N 0.292 120.861 120.570 -0.001 0.000 2.252 119 I HA -0.237 3.934 4.170 0.001 0.000 0.245 119 I C 2.332 178.394 176.117 -0.092 0.000 1.102 119 I CA 0.603 61.874 61.300 -0.049 0.000 1.385 119 I CB -0.026 37.950 38.000 -0.041 0.000 1.064 119 I HN 0.212 nan 8.210 nan 0.000 0.414 120 L N 0.714 121.706 121.223 -0.385 0.000 2.017 120 L HA -0.172 4.169 4.340 0.001 0.000 0.208 120 L C 2.244 179.074 176.870 -0.068 0.000 1.073 120 L CA 1.792 56.389 54.840 -0.405 0.000 0.745 120 L CB -0.539 41.248 42.059 -0.453 0.000 0.894 120 L HN 0.137 nan 8.230 nan 0.000 0.432 121 L N -0.777 120.445 121.223 -0.000 0.000 2.131 121 L HA -0.119 4.221 4.340 0.001 0.000 0.210 121 L C 2.358 179.265 176.870 0.062 0.000 1.092 121 L CA 1.135 56.007 54.840 0.054 0.000 0.759 121 L CB -0.967 41.146 42.059 0.089 0.000 0.903 121 L HN 0.508 nan 8.230 nan 0.000 0.435 122 G N -0.564 108.284 108.800 0.080 0.000 2.418 122 G HA2 -0.285 3.676 3.960 0.001 0.000 0.217 122 G HA3 -0.285 3.676 3.960 0.001 0.000 0.217 122 G C 1.677 176.700 174.900 0.206 0.000 1.158 122 G CA 0.647 45.830 45.100 0.138 0.000 0.771 122 G HN 0.271 nan 8.290 nan 0.000 0.545 123 R N -0.161 120.459 120.500 0.201 0.000 2.075 123 R HA -0.109 4.231 4.340 0.001 0.000 0.230 123 R C 2.789 179.116 176.300 0.044 0.000 1.140 123 R CA 1.689 57.830 56.100 0.069 0.000 0.928 123 R CB -0.358 29.970 30.300 0.046 0.000 0.834 123 R HN 0.239 nan 8.270 nan 0.000 0.429 124 Q N 0.019 119.854 119.800 0.058 0.000 2.133 124 Q HA -0.158 4.182 4.340 0.001 0.000 0.208 124 Q C 2.148 178.183 176.000 0.058 0.000 0.991 124 Q CA 1.717 57.558 55.803 0.063 0.000 0.867 124 Q CB -0.357 28.427 28.738 0.077 0.000 0.911 124 Q HN 0.322 nan 8.270 nan 0.000 0.417 125 V N -0.598 119.350 119.914 0.056 0.000 3.129 125 V HA 0.069 4.189 4.120 0.001 0.000 0.259 125 V C 1.250 177.369 176.094 0.041 0.000 1.116 125 V CA 0.975 63.303 62.300 0.047 0.000 1.127 125 V CB -0.345 31.502 31.823 0.040 0.000 0.742 125 V HN 0.563 nan 8.190 nan 0.000 0.474 126 G N 0.625 109.450 108.800 0.042 0.000 2.203 126 G HA2 -0.191 3.769 3.960 0.001 0.000 0.231 126 G HA3 -0.191 3.769 3.960 0.001 0.000 0.231 126 G C -0.024 174.901 174.900 0.042 0.000 1.058 126 G CA 0.015 45.131 45.100 0.026 0.000 0.781 126 G HN 0.341 nan 8.290 nan 0.000 0.496 127 V N 2.173 122.140 119.914 0.088 0.000 2.387 127 V HA 0.191 4.311 4.120 0.001 0.000 0.260 127 V C 0.422 176.589 176.094 0.121 0.000 1.054 127 V CA -0.442 61.920 62.300 0.103 0.000 0.967 127 V CB 1.140 33.027 31.823 0.107 0.000 1.036 127 V HN 0.361 nan 8.190 nan 0.000 0.481 128 P HA -0.119 nan 4.420 nan 0.000 0.214 128 P C -0.145 176.876 177.300 -0.463 0.000 1.162 128 P CA 1.376 64.279 63.100 -0.329 0.000 0.879 128 P CB 0.233 31.647 31.700 -0.477 0.000 0.786 129 Y N -0.996 119.422 120.300 0.197 0.000 2.446 129 Y HA 0.582 5.132 4.550 0.001 0.000 0.345 129 Y C 0.531 176.499 175.900 0.114 0.000 0.984 129 Y CA -1.079 57.150 58.100 0.215 0.000 1.058 129 Y CB 1.787 40.348 38.460 0.169 0.000 1.220 129 Y HN -0.243 nan 8.280 nan 0.000 0.455 130 I N 4.601 125.272 120.570 0.168 0.000 2.478 130 I HA 0.333 4.503 4.170 0.001 0.000 0.287 130 I C -1.057 175.033 176.117 -0.044 0.000 1.042 130 I CA -0.648 60.608 61.300 -0.073 0.000 1.067 130 I CB 1.315 39.041 38.000 -0.457 0.000 1.233 130 I HN 0.440 nan 8.210 nan 0.000 0.431 131 I N 6.547 127.096 120.570 -0.035 0.000 2.437 131 I HA 0.399 4.569 4.170 0.001 0.000 0.298 131 I C 0.038 176.096 176.117 -0.098 0.000 0.984 131 I CA -0.781 60.449 61.300 -0.116 0.000 1.214 131 I CB 1.943 39.933 38.000 -0.016 0.000 1.365 131 I HN 0.125 nan 8.210 nan 0.000 0.469 132 V N 6.171 126.000 119.914 -0.141 0.000 2.398 132 V HA 0.303 4.423 4.120 0.001 0.000 0.286 132 V C -0.606 175.482 176.094 -0.010 0.000 1.026 132 V CA -0.609 61.641 62.300 -0.083 0.000 0.868 132 V CB 1.720 33.462 31.823 -0.135 0.000 0.982 132 V HN 0.469 nan 8.190 nan 0.000 0.443 133 F N 5.746 125.655 119.950 -0.068 0.000 2.325 133 F HA 0.463 4.991 4.527 0.001 0.000 0.369 133 F C -0.039 175.738 175.800 -0.038 0.000 1.095 133 F CA -0.687 57.294 58.000 -0.030 0.000 1.082 133 F CB 0.948 39.945 39.000 -0.006 0.000 1.289 133 F HN 0.284 nan 8.300 nan 0.000 0.462 134 L N 6.516 127.499 121.223 -0.401 0.000 2.454 134 L HA 0.132 4.472 4.340 0.001 0.000 0.284 134 L C -0.200 176.483 176.870 -0.312 0.000 1.139 134 L CA 0.390 55.070 54.840 -0.267 0.000 0.911 134 L CB -0.962 40.960 42.059 -0.230 0.000 1.262 134 L HN 0.653 nan 8.230 nan 0.000 0.453 135 N N 3.885 122.554 118.700 -0.051 0.000 2.463 135 N HA 0.183 4.923 4.740 0.001 0.000 0.270 135 N C 0.355 175.880 175.510 0.023 0.000 1.205 135 N CA -0.049 53.068 53.050 0.111 0.000 0.974 135 N CB 0.765 39.434 38.487 0.304 0.000 1.197 135 N HN 0.414 nan 8.380 nan 0.000 0.504 136 K N -0.232 120.174 120.400 0.009 0.000 3.391 136 K HA -0.193 4.127 4.320 0.001 0.000 0.307 136 K C 0.508 177.050 176.600 -0.097 0.000 1.304 136 K CA 0.626 56.879 56.287 -0.058 0.000 0.904 136 K CB -2.399 30.100 32.500 -0.002 0.000 1.293 136 K HN 0.497 nan 8.250 nan 0.000 0.470 137 C N 1.972 121.209 119.300 -0.104 0.000 2.443 137 C HA -0.099 4.361 4.460 0.001 0.000 0.290 137 C C 2.240 177.207 174.990 -0.038 0.000 1.476 137 C CA 1.097 60.104 59.018 -0.019 0.000 1.772 137 C CB -0.959 26.855 27.740 0.122 0.000 1.714 137 C HN 0.591 nan 8.230 nan 0.000 0.562 138 D N 0.251 120.465 120.400 -0.310 0.000 2.312 138 D HA -0.114 4.526 4.640 0.001 0.000 0.211 138 D C 1.850 178.106 176.300 -0.072 0.000 0.964 138 D CA 0.937 54.784 54.000 -0.256 0.000 0.877 138 D CB -0.271 40.213 40.800 -0.526 0.000 0.924 138 D HN 0.358 nan 8.370 nan 0.000 0.515 139 M N 0.742 120.299 119.600 -0.071 0.000 2.171 139 M HA 0.055 4.536 4.480 0.001 0.000 0.260 139 M C 0.819 177.120 176.300 0.002 0.000 1.087 139 M CA 0.403 55.685 55.300 -0.029 0.000 1.154 139 M CB -0.300 32.282 32.600 -0.030 0.000 1.331 139 M HN -0.195 nan 8.290 nan 0.000 0.431 140 V N 3.762 123.681 119.914 0.008 0.000 2.439 140 V HA -0.017 4.104 4.120 0.001 0.000 0.271 140 V C 0.875 176.995 176.094 0.042 0.000 1.040 140 V CA 0.030 62.342 62.300 0.020 0.000 1.002 140 V CB 0.083 31.914 31.823 0.013 0.000 1.000 140 V HN 0.465 nan 8.190 nan 0.000 0.477 141 D N 1.907 122.330 120.400 0.037 0.000 2.398 141 D HA 0.051 4.692 4.640 0.001 0.000 0.210 141 D C 0.150 176.469 176.300 0.032 0.000 1.094 141 D CA -0.230 53.797 54.000 0.046 0.000 0.839 141 D CB 0.777 41.602 40.800 0.042 0.000 0.963 141 D HN 0.553 nan 8.370 nan 0.000 0.506 142 D N 1.293 121.706 120.400 0.022 0.000 2.280 142 D HA 0.051 4.691 4.640 0.001 0.000 0.236 142 D C 1.131 177.438 176.300 0.011 0.000 1.082 142 D CA -0.397 53.612 54.000 0.014 0.000 0.834 142 D CB 2.077 42.882 40.800 0.009 0.000 1.100 142 D HN -0.209 nan 8.370 nan 0.000 0.486 143 E N 3.133 123.338 120.200 0.009 0.000 2.070 143 E HA -0.255 4.095 4.350 0.001 0.000 0.197 143 E C 1.156 177.755 176.600 -0.001 0.000 1.004 143 E CA 1.783 58.185 56.400 0.003 0.000 0.805 143 E CB 0.029 29.729 29.700 0.000 0.000 0.744 143 E HN 0.670 nan 8.360 nan 0.000 0.451 144 E N 0.017 120.216 120.200 -0.001 0.000 2.114 144 E HA -0.227 4.123 4.350 0.001 0.000 0.199 144 E C 2.240 178.836 176.600 -0.005 0.000 1.008 144 E CA 1.470 57.868 56.400 -0.004 0.000 0.810 144 E CB -0.265 29.433 29.700 -0.002 0.000 0.739 144 E HN 0.360 nan 8.360 nan 0.000 0.456 145 L N 0.473 121.694 121.223 -0.004 0.000 2.027 145 L HA -0.202 4.138 4.340 0.001 0.000 0.206 145 L C 2.536 179.400 176.870 -0.011 0.000 1.074 145 L CA 0.911 55.748 54.840 -0.006 0.000 0.745 145 L CB -0.503 41.555 42.059 -0.002 0.000 0.898 145 L HN 0.200 nan 8.230 nan 0.000 0.433 146 L N -0.371 120.846 121.223 -0.010 0.000 2.012 146 L HA -0.243 4.097 4.340 0.001 0.000 0.210 146 L C 2.572 179.427 176.870 -0.024 0.000 1.073 146 L CA 1.500 56.329 54.840 -0.017 0.000 0.748 146 L CB -0.625 41.428 42.059 -0.011 0.000 0.891 146 L HN 0.327 nan 8.230 nan 0.000 0.431 147 E N 0.109 120.298 120.200 -0.019 0.000 2.110 147 E HA -0.196 4.154 4.350 0.001 0.000 0.193 147 E C 2.375 178.963 176.600 -0.021 0.000 0.988 147 E CA 0.974 57.361 56.400 -0.021 0.000 0.804 147 E CB -0.117 29.574 29.700 -0.015 0.000 0.745 147 E HN 0.474 nan 8.360 nan 0.000 0.458 148 L N 0.464 121.677 121.223 -0.018 0.000 2.017 148 L HA -0.180 4.160 4.340 0.001 0.000 0.208 148 L C 2.491 179.348 176.870 -0.022 0.000 1.073 148 L CA 0.781 55.611 54.840 -0.017 0.000 0.745 148 L CB -0.387 41.664 42.059 -0.013 0.000 0.894 148 L HN 0.034 nan 8.230 nan 0.000 0.432 149 V N -0.303 119.595 119.914 -0.027 0.000 2.358 149 V HA -0.250 3.870 4.120 0.001 0.000 0.246 149 V C 2.384 178.452 176.094 -0.043 0.000 1.047 149 V CA 1.680 63.958 62.300 -0.036 0.000 1.035 149 V CB -0.504 31.294 31.823 -0.043 0.000 0.658 149 V HN 0.450 nan 8.190 nan 0.000 0.452 150 E N -0.306 119.866 120.200 -0.046 0.000 2.058 150 E HA -0.256 4.095 4.350 0.001 0.000 0.194 150 E C 2.273 178.848 176.600 -0.041 0.000 0.997 150 E CA 1.627 57.995 56.400 -0.053 0.000 0.801 150 E CB -0.242 29.425 29.700 -0.054 0.000 0.746 150 E HN 0.523 nan 8.360 nan 0.000 0.450 151 M N 0.471 120.053 119.600 -0.030 0.000 2.080 151 M HA -0.216 4.264 4.480 0.001 0.000 0.260 151 M C 2.400 178.690 176.300 -0.017 0.000 1.068 151 M CA 1.471 56.758 55.300 -0.021 0.000 1.109 151 M CB -0.297 32.293 32.600 -0.016 0.000 1.342 151 M HN 0.099 nan 8.290 nan 0.000 0.405 152 E N -0.047 120.142 120.200 -0.018 0.000 2.085 152 E HA -0.193 4.158 4.350 0.001 0.000 0.194 152 E C 1.871 178.466 176.600 -0.009 0.000 0.994 152 E CA 1.473 57.865 56.400 -0.013 0.000 0.801 152 E CB 0.118 29.808 29.700 -0.017 0.000 0.743 152 E HN 0.274 nan 8.360 nan 0.000 0.453 153 V N 0.923 120.824 119.914 -0.023 0.000 2.295 153 V HA -0.263 3.857 4.120 0.001 0.000 0.246 153 V C 2.398 178.487 176.094 -0.008 0.000 1.049 153 V CA 1.956 64.241 62.300 -0.025 0.000 1.024 153 V CB -0.471 31.319 31.823 -0.056 0.000 0.648 153 V HN 0.262 nan 8.190 nan 0.000 0.447 154 R N -0.282 120.208 120.500 -0.015 0.000 2.091 154 R HA -0.219 4.122 4.340 0.001 0.000 0.238 154 R C 2.388 178.702 176.300 0.024 0.000 1.136 154 R CA 1.828 57.927 56.100 -0.001 0.000 0.959 154 R CB -0.390 29.901 30.300 -0.014 0.000 0.856 154 R HN 0.668 nan 8.270 nan 0.000 0.437 155 E N 0.974 121.182 120.200 0.015 0.000 2.038 155 E HA -0.230 4.121 4.350 0.001 0.000 0.195 155 E C 2.012 178.631 176.600 0.032 0.000 1.000 155 E CA 1.140 57.549 56.400 0.015 0.000 0.803 155 E CB -0.052 29.650 29.700 0.003 0.000 0.750 155 E HN 0.121 nan 8.360 nan 0.000 0.448 156 L N 1.051 122.305 121.223 0.051 0.000 2.042 156 L HA -0.186 4.154 4.340 0.001 0.000 0.210 156 L C 2.265 179.255 176.870 0.200 0.000 1.076 156 L CA 1.580 56.486 54.840 0.109 0.000 0.749 156 L CB -0.447 41.679 42.059 0.110 0.000 0.893 156 L HN 0.242 nan 8.230 nan 0.000 0.432 157 L N -1.370 119.956 121.223 0.172 0.000 2.056 157 L HA -0.184 4.157 4.340 0.001 0.000 0.207 157 L C 2.459 179.509 176.870 0.299 0.000 1.078 157 L CA 1.340 56.341 54.840 0.269 0.000 0.749 157 L CB -0.530 41.617 42.059 0.146 0.000 0.901 157 L HN 0.224 nan 8.230 nan 0.000 0.433 158 S N -0.757 115.034 115.700 0.152 0.000 2.382 158 S HA -0.226 4.244 4.470 0.001 0.000 0.228 158 S C 1.886 176.494 174.600 0.014 0.000 1.027 158 S CA 1.064 59.317 58.200 0.088 0.000 0.991 158 S CB -0.211 63.014 63.200 0.042 0.000 0.823 158 S HN 0.442 nan 8.310 nan 0.000 0.469 159 Q N -0.308 119.463 119.800 -0.049 0.000 2.112 159 Q HA -0.145 4.195 4.340 0.001 0.000 0.206 159 Q C 0.507 176.251 176.000 -0.427 0.000 0.987 159 Q CA 1.431 57.069 55.803 -0.275 0.000 0.858 159 Q CB -0.228 28.260 28.738 -0.418 0.000 0.905 159 Q HN 0.668 nan 8.270 nan 0.000 0.420 160 Y N 0.125 120.473 120.300 0.080 0.000 2.718 160 Y HA 0.068 4.618 4.550 0.001 0.000 0.322 160 Y C -0.380 175.436 175.900 -0.141 0.000 1.122 160 Y CA -0.234 57.885 58.100 0.031 0.000 1.348 160 Y CB 0.330 38.874 38.460 0.140 0.000 1.174 160 Y HN 0.078 nan 8.280 nan 0.000 0.523 161 D N -1.656 118.710 120.400 -0.057 0.000 3.077 161 D HA -0.224 4.417 4.640 0.001 0.000 0.212 161 D C -0.650 175.539 176.300 -0.186 0.000 1.125 161 D CA 0.863 54.780 54.000 -0.139 0.000 0.970 161 D CB -1.693 38.990 40.800 -0.195 0.000 1.110 161 D HN 0.203 nan 8.370 nan 0.000 0.419 162 F N -0.239 119.753 119.950 0.070 0.000 2.384 162 F HA 0.360 4.887 4.527 0.001 0.000 0.338 162 F C -1.440 174.396 175.800 0.060 0.000 1.103 162 F CA -2.288 55.752 58.000 0.068 0.000 1.157 162 F CB 0.617 39.667 39.000 0.085 0.000 1.167 162 F HN -0.329 nan 8.300 nan 0.000 0.529 163 P HA 0.044 nan 4.420 nan 0.000 0.235 163 P C 1.080 178.468 177.300 0.147 0.000 1.720 163 P CA 0.392 63.604 63.100 0.186 0.000 1.003 163 P CB -0.170 31.664 31.700 0.224 0.000 1.968 164 G N 1.335 110.210 108.800 0.126 0.000 2.545 164 G HA2 -0.297 3.663 3.960 0.001 0.000 0.222 164 G HA3 -0.297 3.663 3.960 0.001 0.000 0.222 164 G C 1.166 176.084 174.900 0.031 0.000 1.126 164 G CA 0.757 45.900 45.100 0.070 0.000 0.754 164 G HN 0.299 nan 8.290 nan 0.000 0.583 165 D N 0.829 121.253 120.400 0.040 0.000 2.178 165 D HA -0.061 4.579 4.640 0.001 0.000 0.202 165 D C 1.097 177.409 176.300 0.021 0.000 0.974 165 D CA 1.016 55.031 54.000 0.025 0.000 0.841 165 D CB -0.074 40.745 40.800 0.033 0.000 0.953 165 D HN 0.353 nan 8.370 nan 0.000 0.478 166 D N 0.892 121.322 120.400 0.050 0.000 2.402 166 D HA -0.000 4.640 4.640 0.001 0.000 0.216 166 D C 0.467 176.755 176.300 -0.021 0.000 1.128 166 D CA 0.153 54.190 54.000 0.061 0.000 0.833 166 D CB 0.692 41.584 40.800 0.153 0.000 0.971 166 D HN 0.153 nan 8.370 nan 0.000 0.503 167 T N 0.445 114.936 114.554 -0.105 0.000 2.817 167 T HA 0.342 4.692 4.350 0.001 0.000 0.293 167 T C -2.499 171.938 174.700 -0.438 0.000 0.964 167 T CA -1.654 60.250 62.100 -0.328 0.000 1.085 167 T CB 1.910 70.658 68.868 -0.201 0.000 0.921 167 T HN -0.165 nan 8.240 nan 0.000 0.502 168 P HA 0.380 nan 4.420 nan 0.000 0.282 168 P C -0.753 176.156 177.300 -0.652 0.000 1.274 168 P CA -0.406 62.164 63.100 -0.883 0.000 0.770 168 P CB 0.524 31.134 31.700 -1.816 0.000 0.867 169 I N 4.028 124.352 120.570 -0.411 0.000 2.330 169 I HA 0.214 4.385 4.170 0.001 0.000 0.289 169 I C 0.126 176.127 176.117 -0.193 0.000 1.001 169 I CA -1.023 60.120 61.300 -0.260 0.000 1.193 169 I CB 1.836 39.726 38.000 -0.183 0.000 1.345 169 I HN 0.021 nan 8.210 nan 0.000 0.461 170 V N 7.170 126.982 119.914 -0.170 0.000 2.407 170 V HA 0.385 4.505 4.120 0.001 0.000 0.278 170 V C 0.300 176.177 176.094 -0.362 0.000 1.037 170 V CA -0.696 61.529 62.300 -0.125 0.000 0.900 170 V CB 1.324 33.175 31.823 0.047 0.000 0.983 170 V HN 0.647 nan 8.190 nan 0.000 0.459 171 R N 3.165 123.529 120.500 -0.227 0.000 2.207 171 R HA 0.688 5.029 4.340 0.001 0.000 0.334 171 R C 0.365 176.591 176.300 -0.124 0.000 1.013 171 R CA -0.057 55.912 56.100 -0.218 0.000 0.858 171 R CB 1.564 31.822 30.300 -0.070 0.000 1.094 171 R HN 0.965 nan 8.270 nan 0.000 0.457 172 G N -0.071 108.599 108.800 -0.215 0.000 2.731 172 G HA2 0.349 4.309 3.960 0.001 0.000 0.309 172 G HA3 0.349 4.309 3.960 0.001 0.000 0.309 172 G C -1.476 173.504 174.900 0.134 0.000 1.273 172 G CA -0.374 44.876 45.100 0.251 0.000 0.798 172 G HN 0.345 nan 8.290 nan 0.000 0.509 173 S N -1.039 114.749 115.700 0.146 0.000 2.775 173 S HA 0.554 5.025 4.470 0.001 0.000 0.277 173 S C 0.953 175.564 174.600 0.019 0.000 1.156 173 S CA 0.648 58.720 58.200 -0.213 0.000 1.081 173 S CB 0.968 63.515 63.200 -1.087 0.000 1.054 173 S HN 1.589 nan 8.310 nan 0.000 0.482 174 A N 4.491 127.367 122.820 0.093 0.000 1.969 174 A HA 0.042 4.362 4.320 0.001 0.000 0.218 174 A C 1.851 179.418 177.584 -0.028 0.000 1.169 174 A CA 1.334 53.372 52.037 0.002 0.000 0.635 174 A CB -0.569 18.412 19.000 -0.031 0.000 0.810 174 A HN 0.829 nan 8.150 nan 0.000 0.445 175 L N -0.333 120.852 121.223 -0.064 0.000 2.005 175 L HA -0.110 4.231 4.340 0.001 0.000 0.207 175 L C 2.119 178.930 176.870 -0.098 0.000 1.072 175 L CA 2.013 56.804 54.840 -0.081 0.000 0.744 175 L CB -0.393 41.602 42.059 -0.108 0.000 0.895 175 L HN 0.132 nan 8.230 nan 0.000 0.433 176 K N 0.017 120.306 120.400 -0.185 0.000 2.147 176 K HA -0.022 4.298 4.320 0.001 0.000 0.205 176 K C 2.089 178.701 176.600 0.019 0.000 1.049 176 K CA 1.266 57.468 56.287 -0.142 0.000 0.936 176 K CB -0.831 31.406 32.500 -0.437 0.000 0.722 176 K HN 0.474 nan 8.250 nan 0.000 0.446 177 A N 1.317 124.163 122.820 0.044 0.000 1.877 177 A HA -0.140 4.180 4.320 0.001 0.000 0.216 177 A C 2.216 179.815 177.584 0.026 0.000 1.186 177 A CA 1.135 53.223 52.037 0.084 0.000 0.620 177 A CB -0.560 18.487 19.000 0.078 0.000 0.822 177 A HN 0.187 nan 8.150 nan 0.000 0.443 178 L N 0.237 121.460 121.223 -0.000 0.000 2.083 178 L HA -0.141 4.199 4.340 0.001 0.000 0.209 178 L C 2.152 179.019 176.870 -0.005 0.000 1.083 178 L CA 2.248 57.084 54.840 -0.005 0.000 0.752 178 L CB -0.647 41.414 42.059 0.004 0.000 0.899 178 L HN 0.528 nan 8.230 nan 0.000 0.433 179 E N -0.855 119.340 120.200 -0.008 0.000 2.268 179 E HA 0.031 4.381 4.350 0.001 0.000 0.195 179 E C 1.226 177.832 176.600 0.009 0.000 0.995 179 E CA 0.705 57.102 56.400 -0.007 0.000 0.836 179 E CB -0.136 29.556 29.700 -0.013 0.000 0.763 179 E HN 0.611 nan 8.360 nan 0.000 0.491 180 G N 1.787 110.601 108.800 0.023 0.000 2.141 180 G HA2 -0.183 3.777 3.960 0.001 0.000 0.164 180 G HA3 -0.183 3.777 3.960 0.001 0.000 0.164 180 G C -0.464 174.465 174.900 0.049 0.000 1.009 180 G CA -0.110 45.006 45.100 0.026 0.000 0.677 180 G HN 0.216 nan 8.290 nan 0.000 0.508 181 D N 0.878 121.332 120.400 0.089 0.000 2.336 181 D HA 0.580 5.220 4.640 0.001 0.000 0.249 181 D C 1.621 177.995 176.300 0.123 0.000 1.213 181 D CA 0.474 54.554 54.000 0.133 0.000 0.870 181 D CB 1.115 42.064 40.800 0.248 0.000 1.076 181 D HN 0.349 nan 8.370 nan 0.000 0.483 182 A N 4.595 127.451 122.820 0.061 0.000 1.892 182 A HA -0.238 4.082 4.320 0.001 0.000 0.218 182 A C 1.935 179.521 177.584 0.003 0.000 1.188 182 A CA 1.808 53.859 52.037 0.023 0.000 0.631 182 A CB -0.500 18.499 19.000 -0.002 0.000 0.822 182 A HN 0.796 nan 8.150 nan 0.000 0.447 183 E N -1.439 118.741 120.200 -0.033 0.000 2.085 183 E HA -0.251 4.099 4.350 0.001 0.000 0.194 183 E C 1.731 178.203 176.600 -0.212 0.000 0.994 183 E CA 1.599 57.896 56.400 -0.171 0.000 0.801 183 E CB -0.233 29.299 29.700 -0.280 0.000 0.743 183 E HN 0.835 nan 8.360 nan 0.000 0.453 184 W N 0.779 122.087 121.300 0.012 0.000 2.770 184 W HA 0.085 4.746 4.660 0.000 0.000 0.256 184 W C 2.061 178.601 176.519 0.035 0.000 1.291 184 W CA 0.143 57.507 57.345 0.031 0.000 1.396 184 W CB 0.316 29.798 29.460 0.038 0.000 1.114 184 W HN 0.138 nan 8.180 nan 0.000 0.637 185 E N 0.422 120.736 120.200 0.190 0.000 2.152 185 E HA -0.143 4.207 4.350 0.001 0.000 0.192 185 E C 2.337 178.974 176.600 0.062 0.000 0.983 185 E CA 1.009 57.469 56.400 0.101 0.000 0.818 185 E CB -0.300 29.422 29.700 0.038 0.000 0.758 185 E HN 0.222 nan 8.360 nan 0.000 0.467 186 A N 2.004 124.845 122.820 0.034 0.000 1.917 186 A HA -0.230 4.091 4.320 0.001 0.000 0.219 186 A C 1.940 179.553 177.584 0.048 0.000 1.182 186 A CA 1.358 53.400 52.037 0.007 0.000 0.633 186 A CB -0.247 18.731 19.000 -0.036 0.000 0.819 186 A HN -0.020 nan 8.150 nan 0.000 0.448 187 K N -0.282 120.181 120.400 0.105 0.000 2.280 187 K HA -0.040 4.281 4.320 0.001 0.000 0.202 187 K C 1.641 178.394 176.600 0.255 0.000 1.047 187 K CA 0.740 57.138 56.287 0.184 0.000 0.942 187 K CB -0.403 32.257 32.500 0.267 0.000 0.739 187 K HN 0.513 nan 8.250 nan 0.000 0.457 188 I N 0.589 121.270 120.570 0.185 0.000 2.500 188 I HA -0.121 4.049 4.170 0.001 0.000 0.252 188 I C 2.175 178.328 176.117 0.060 0.000 1.142 188 I CA 0.740 62.101 61.300 0.102 0.000 1.451 188 I CB -0.887 37.109 38.000 -0.006 0.000 1.093 188 I HN 0.035 nan 8.210 nan 0.000 0.430 189 L N 0.430 121.681 121.223 0.047 0.000 2.093 189 L HA -0.186 4.155 4.340 0.001 0.000 0.208 189 L C 2.534 179.433 176.870 0.048 0.000 1.085 189 L CA 1.204 56.076 54.840 0.053 0.000 0.755 189 L CB -0.431 41.641 42.059 0.021 0.000 0.904 189 L HN 0.288 nan 8.230 nan 0.000 0.435 190 E N 0.569 120.792 120.200 0.038 0.000 2.051 190 E HA -0.273 4.077 4.350 0.001 0.000 0.192 190 E C 2.218 178.819 176.600 0.002 0.000 0.991 190 E CA 1.170 57.553 56.400 -0.028 0.000 0.799 190 E CB -0.025 29.698 29.700 0.039 0.000 0.748 190 E HN 0.286 nan 8.360 nan 0.000 0.449 191 L N 0.824 122.156 121.223 0.181 0.000 2.042 191 L HA -0.117 4.223 4.340 0.001 0.000 0.210 191 L C 2.251 179.213 176.870 0.153 0.000 1.076 191 L CA 2.247 57.254 54.840 0.277 0.000 0.749 191 L CB -0.659 41.569 42.059 0.281 0.000 0.893 191 L HN 0.179 nan 8.230 nan 0.000 0.432 192 A N -0.512 122.349 122.820 0.069 0.000 1.933 192 A HA -0.067 4.253 4.320 0.001 0.000 0.218 192 A C 2.339 179.958 177.584 0.058 0.000 1.175 192 A CA 1.482 53.546 52.037 0.045 0.000 0.628 192 A CB -1.588 17.470 19.000 0.097 0.000 0.814 192 A HN 0.552 nan 8.150 nan 0.000 0.444 193 G N -1.050 107.747 108.800 -0.005 0.000 2.446 193 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 193 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 193 G C 1.427 176.287 174.900 -0.067 0.000 1.168 193 G CA 1.087 46.128 45.100 -0.098 0.000 0.771 193 G HN 0.502 nan 8.290 nan 0.000 0.551 194 F N 0.441 120.438 119.950 0.078 0.000 2.216 194 F HA 0.058 4.586 4.527 0.001 0.000 0.300 194 F C 2.620 178.497 175.800 0.128 0.000 1.085 194 F CA 0.257 58.312 58.000 0.091 0.000 1.326 194 F CB -0.109 38.919 39.000 0.047 0.000 1.027 194 F HN 0.038 nan 8.300 nan 0.000 0.497 195 L N -0.225 121.161 121.223 0.273 0.000 1.994 195 L HA -0.257 4.084 4.340 0.001 0.000 0.208 195 L C 2.062 179.097 176.870 0.275 0.000 1.071 195 L CA 1.331 56.304 54.840 0.222 0.000 0.745 195 L CB -0.677 41.388 42.059 0.010 0.000 0.892 195 L HN 0.044 nan 8.230 nan 0.000 0.431 196 D N -0.402 120.145 120.400 0.245 0.000 2.149 196 D HA -0.158 4.482 4.640 0.001 0.000 0.198 196 D C 2.328 178.704 176.300 0.126 0.000 0.990 196 D CA 1.775 55.891 54.000 0.194 0.000 0.839 196 D CB -0.016 40.854 40.800 0.117 0.000 0.948 196 D HN 0.397 nan 8.370 nan 0.000 0.460 197 S N -1.216 114.572 115.700 0.147 0.000 2.444 197 S HA -0.064 4.406 4.470 0.001 0.000 0.223 197 S C 2.102 176.793 174.600 0.151 0.000 1.054 197 S CA -0.115 58.165 58.200 0.134 0.000 0.947 197 S CB -0.854 62.432 63.200 0.142 0.000 0.850 197 S HN 0.293 nan 8.310 nan 0.000 0.527 198 Y N 2.047 122.409 120.300 0.104 0.000 2.439 198 Y HA 0.362 4.912 4.550 0.000 0.000 0.292 198 Y C 0.343 176.144 175.900 -0.166 0.000 1.130 198 Y CA 0.452 58.569 58.100 0.027 0.000 1.254 198 Y CB 0.035 38.553 38.460 0.096 0.000 1.000 198 Y HN 0.191 nan 8.280 nan 0.000 0.554 199 I N 2.638 123.159 120.570 -0.083 0.000 2.328 199 I HA 0.254 4.424 4.170 0.001 0.000 0.287 199 I C -2.309 173.652 176.117 -0.261 0.000 1.012 199 I CA -2.202 58.931 61.300 -0.278 0.000 1.195 199 I CB 1.106 39.119 38.000 0.022 0.000 1.350 199 I HN -0.061 nan 8.210 nan 0.000 0.464 200 P HA 0.062 nan 4.420 nan 0.000 0.272 200 P C -0.435 176.812 177.300 -0.087 0.000 1.223 200 P CA -0.392 62.575 63.100 -0.221 0.000 0.784 200 P CB 0.573 32.137 31.700 -0.227 0.000 0.923 201 E N 3.403 123.575 120.200 -0.046 0.000 2.344 201 E HA 0.101 4.451 4.350 0.001 0.000 0.270 201 E C -1.638 174.972 176.600 0.016 0.000 1.021 201 E CA -1.713 54.678 56.400 -0.015 0.000 0.887 201 E CB 0.058 29.748 29.700 -0.017 0.000 0.997 201 E HN 0.331 nan 8.360 nan 0.000 0.429 202 P HA -0.019 nan 4.420 nan 0.000 0.270 202 P C -0.753 176.575 177.300 0.046 0.000 1.223 202 P CA 0.169 63.305 63.100 0.060 0.000 0.785 202 P CB 0.625 32.367 31.700 0.070 0.000 0.923 203 E N 1.060 121.290 120.200 0.050 0.000 2.338 203 E HA 0.090 4.440 4.350 0.001 0.000 0.272 203 E C 0.491 177.112 176.600 0.035 0.000 1.029 203 E CA -0.332 56.092 56.400 0.040 0.000 0.872 203 E CB 0.845 30.570 29.700 0.042 0.000 1.015 203 E HN 0.305 nan 8.360 nan 0.000 0.417 204 R N 1.831 122.348 120.500 0.029 0.000 2.490 204 R HA 0.123 4.463 4.340 0.001 0.000 0.280 204 R C 0.920 177.236 176.300 0.028 0.000 1.077 204 R CA 0.281 56.396 56.100 0.025 0.000 1.065 204 R CB 0.722 31.034 30.300 0.020 0.000 1.003 204 R HN 0.672 nan 8.270 nan 0.000 0.470 205 A N 5.556 128.391 122.820 0.026 0.000 1.948 205 A HA -0.208 4.112 4.320 0.001 0.000 0.220 205 A C 1.927 179.533 177.584 0.037 0.000 1.177 205 A CA 1.893 53.947 52.037 0.028 0.000 0.636 205 A CB -0.856 18.158 19.000 0.023 0.000 0.815 205 A HN 0.882 nan 8.150 nan 0.000 0.449 206 I N -3.827 116.766 120.570 0.038 0.000 3.083 206 I HA -0.063 4.107 4.170 0.001 0.000 0.273 206 I C 0.559 176.705 176.117 0.048 0.000 1.297 206 I CA 1.504 62.833 61.300 0.048 0.000 1.452 206 I CB -0.208 37.816 38.000 0.040 0.000 1.078 206 I HN -0.002 nan 8.210 nan 0.000 0.484 207 D N 1.542 121.966 120.400 0.040 0.000 2.350 207 D HA 0.111 4.751 4.640 0.001 0.000 0.213 207 D C 0.412 176.737 176.300 0.042 0.000 1.031 207 D CA 0.405 54.428 54.000 0.038 0.000 0.861 207 D CB 0.325 41.143 40.800 0.031 0.000 0.926 207 D HN 0.506 nan 8.370 nan 0.000 0.520 208 K N 1.237 121.665 120.400 0.046 0.000 2.087 208 K HA 0.366 4.686 4.320 0.001 0.000 0.255 208 K C -2.560 174.078 176.600 0.063 0.000 0.988 208 K CA -1.776 54.538 56.287 0.045 0.000 0.915 208 K CB 0.645 33.165 32.500 0.034 0.000 1.043 208 K HN -0.227 nan 8.250 nan 0.000 0.457 209 P HA -0.112 nan 4.420 nan 0.000 0.264 209 P C -0.544 176.829 177.300 0.122 0.000 1.183 209 P CA 0.015 63.168 63.100 0.089 0.000 0.763 209 P CB 0.211 31.948 31.700 0.061 0.000 0.807 210 F N 4.756 124.710 119.950 0.007 0.000 2.646 210 F HA 0.203 4.731 4.527 0.001 0.000 0.363 210 F C -0.129 175.674 175.800 0.006 0.000 1.143 210 F CA 0.573 58.578 58.000 0.007 0.000 1.356 210 F CB 0.054 39.057 39.000 0.006 0.000 1.055 210 F HN 0.167 nan 8.300 nan 0.000 0.606 211 L N 7.599 128.308 121.223 -0.857 0.000 2.676 211 L HA 0.480 4.820 4.340 0.001 0.000 0.262 211 L C -2.222 174.158 176.870 -0.817 0.000 0.932 211 L CA -0.410 54.024 54.840 -0.676 0.000 0.932 211 L CB 1.624 43.515 42.059 -0.279 0.000 1.355 211 L HN 0.716 nan 8.230 nan 0.000 0.421 212 L N 7.480 128.279 121.223 -0.707 0.000 2.457 212 L HA 0.720 5.060 4.340 0.001 0.000 0.266 212 L C -2.552 174.213 176.870 -0.176 0.000 0.979 212 L CA -1.288 53.315 54.840 -0.395 0.000 0.857 212 L CB 2.310 44.193 42.059 -0.294 0.000 1.213 212 L HN 0.415 nan 8.230 nan 0.000 0.418 213 P HA 0.150 nan 4.420 nan 0.000 0.276 213 P C -0.257 177.023 177.300 -0.033 0.000 1.253 213 P CA 0.182 63.242 63.100 -0.066 0.000 0.766 213 P CB 0.687 32.357 31.700 -0.051 0.000 0.845 214 I N 3.541 124.095 120.570 -0.027 0.000 2.581 214 I HA -0.026 4.145 4.170 0.001 0.000 0.285 214 I C 1.525 177.638 176.117 -0.007 0.000 1.129 214 I CA 0.516 61.811 61.300 -0.008 0.000 1.397 214 I CB 0.051 38.042 38.000 -0.015 0.000 1.399 214 I HN 0.377 nan 8.210 nan 0.000 0.537 215 E N 2.959 123.166 120.200 0.013 0.000 2.276 215 E HA 0.022 4.373 4.350 0.001 0.000 0.193 215 E C -0.004 176.593 176.600 -0.005 0.000 0.983 215 E CA 0.509 56.919 56.400 0.018 0.000 0.861 215 E CB 0.472 30.200 29.700 0.047 0.000 0.817 215 E HN 0.577 nan 8.360 nan 0.000 0.485 216 D N -1.004 119.383 120.400 -0.021 0.000 2.653 216 D HA 0.211 4.851 4.640 0.001 0.000 0.258 216 D C -1.713 174.483 176.300 -0.173 0.000 1.252 216 D CA -0.526 53.391 54.000 -0.138 0.000 0.777 216 D CB 2.331 43.037 40.800 -0.156 0.000 1.339 216 D HN -0.117 nan 8.370 nan 0.000 0.422 217 V N -0.828 118.849 119.914 -0.395 0.000 2.841 217 V HA 0.881 5.001 4.120 0.001 0.000 0.310 217 V C -0.915 174.864 176.094 -0.526 0.000 1.090 217 V CA -0.694 61.444 62.300 -0.270 0.000 0.930 217 V CB 1.570 33.305 31.823 -0.147 0.000 1.014 217 V HN 0.454 nan 8.190 nan 0.000 0.425 218 F N 0.869 120.816 119.950 -0.005 0.000 2.726 218 F HA 0.853 5.380 4.527 0.001 0.000 0.324 218 F C 0.224 176.019 175.800 -0.009 0.000 1.140 218 F CA -0.528 57.466 58.000 -0.009 0.000 0.964 218 F CB 2.376 41.367 39.000 -0.016 0.000 1.399 218 F HN 0.680 nan 8.300 nan 0.000 0.491 219 S N 1.053 116.875 115.700 0.202 0.000 2.774 219 S HA 0.615 5.085 4.470 0.001 0.000 0.297 219 S C -1.018 173.626 174.600 0.074 0.000 1.143 219 S CA -0.653 57.608 58.200 0.101 0.000 1.090 219 S CB 0.033 63.269 63.200 0.060 0.000 1.019 219 S HN 0.522 nan 8.310 nan 0.000 0.482 220 I N 3.656 124.256 120.570 0.049 0.000 2.556 220 I HA 0.099 4.270 4.170 0.001 0.000 0.284 220 I C 0.916 177.038 176.117 0.008 0.000 1.114 220 I CA -0.298 61.009 61.300 0.012 0.000 1.418 220 I CB 0.724 38.720 38.000 -0.007 0.000 1.394 220 I HN 0.810 nan 8.210 nan 0.000 0.552 221 S N 4.618 120.318 115.700 0.001 0.000 2.546 221 S HA 0.212 4.682 4.470 0.001 0.000 0.290 221 S C 1.286 175.884 174.600 -0.002 0.000 1.262 221 S CA -0.141 58.059 58.200 0.000 0.000 1.083 221 S CB 0.726 63.924 63.200 -0.004 0.000 0.859 221 S HN 1.169 nan 8.310 nan 0.000 0.495 222 G N 3.912 112.713 108.800 0.000 0.000 2.284 222 G HA2 -0.338 3.622 3.960 0.001 0.000 0.261 222 G HA3 -0.338 3.622 3.960 0.001 0.000 0.261 222 G C 0.998 175.898 174.900 -0.001 0.000 0.997 222 G CA 0.616 45.715 45.100 -0.001 0.000 0.621 222 G HN 0.701 nan 8.290 nan 0.000 0.534 223 R N -0.163 120.337 120.500 -0.000 0.000 2.084 223 R HA 0.523 4.863 4.340 0.001 0.000 0.209 223 R C 1.487 177.790 176.300 0.005 0.000 1.173 223 R CA 1.037 57.137 56.100 0.000 0.000 1.053 223 R CB 0.136 30.434 30.300 -0.003 0.000 0.948 223 R HN 1.283 nan 8.270 nan 0.000 0.460 224 G N -0.377 108.430 108.800 0.011 0.000 2.302 224 G HA2 -0.087 3.873 3.960 0.001 0.000 0.264 224 G HA3 -0.087 3.873 3.960 0.001 0.000 0.264 224 G C -1.191 173.727 174.900 0.029 0.000 1.335 224 G CA -0.907 44.203 45.100 0.016 0.000 0.982 224 G HN 0.036 nan 8.290 nan 0.000 0.473 225 T N 0.909 115.481 114.554 0.030 0.000 2.794 225 T HA 0.532 4.883 4.350 0.001 0.000 0.296 225 T C 0.440 175.173 174.700 0.055 0.000 0.949 225 T CA 0.465 62.591 62.100 0.044 0.000 1.101 225 T CB 0.908 69.793 68.868 0.028 0.000 0.905 225 T HN 1.687 nan 8.240 nan 0.000 0.516 226 V N 1.932 121.900 119.914 0.090 0.000 2.604 226 V HA 0.885 5.006 4.120 0.001 0.000 0.305 226 V C -0.220 175.953 176.094 0.131 0.000 1.043 226 V CA -1.150 61.213 62.300 0.105 0.000 0.888 226 V CB 1.498 33.389 31.823 0.112 0.000 0.995 226 V HN 0.709 nan 8.190 nan 0.000 0.429 227 V N 1.911 121.888 119.914 0.105 0.000 2.448 227 V HA 0.865 4.985 4.120 0.001 0.000 0.295 227 V C 0.286 176.450 176.094 0.116 0.000 1.025 227 V CA 0.280 62.636 62.300 0.093 0.000 0.859 227 V CB 0.934 32.793 31.823 0.060 0.000 0.988 227 V HN 1.254 nan 8.190 nan 0.000 0.431 228 T N 1.816 116.451 114.554 0.136 0.000 2.918 228 T HA 0.945 5.295 4.350 0.001 0.000 0.283 228 T C 0.328 175.085 174.700 0.095 0.000 1.001 228 T CA 0.026 62.207 62.100 0.135 0.000 1.041 228 T CB 1.395 70.377 68.868 0.192 0.000 1.028 228 T HN 2.174 nan 8.240 nan 0.000 0.511 229 G N 0.418 109.271 108.800 0.089 0.000 2.321 229 G HA2 0.402 4.362 3.960 0.001 0.000 0.298 229 G HA3 0.402 4.362 3.960 0.001 0.000 0.298 229 G C -1.687 173.251 174.900 0.064 0.000 1.385 229 G CA -1.240 43.899 45.100 0.065 0.000 0.856 229 G HN 0.843 nan 8.290 nan 0.000 0.584 230 R N 0.297 120.823 120.500 0.044 0.000 2.294 230 R HA 0.574 4.914 4.340 0.001 0.000 0.319 230 R C -0.134 176.178 176.300 0.020 0.000 0.984 230 R CA -0.569 55.557 56.100 0.043 0.000 0.861 230 R CB 1.361 31.683 30.300 0.037 0.000 1.104 230 R HN 0.366 nan 8.270 nan 0.000 0.451 231 V N 5.191 125.133 119.914 0.047 0.000 2.434 231 V HA -0.076 4.044 4.120 0.001 0.000 0.281 231 V C 1.573 177.654 176.094 -0.021 0.000 1.005 231 V CA 0.638 62.953 62.300 0.025 0.000 1.089 231 V CB 0.792 32.707 31.823 0.152 0.000 0.978 231 V HN 0.956 nan 8.190 nan 0.000 0.474 232 E N 5.321 125.464 120.200 -0.095 0.000 2.072 232 E HA -0.073 4.278 4.350 0.001 0.000 0.190 232 E C 0.938 177.513 176.600 -0.041 0.000 0.982 232 E CA 0.809 57.171 56.400 -0.064 0.000 0.803 232 E CB 0.365 30.012 29.700 -0.088 0.000 0.755 232 E HN 0.829 nan 8.360 nan 0.000 0.453 233 R N -2.371 118.093 120.500 -0.060 0.000 2.733 233 R HA 0.509 4.850 4.340 0.001 0.000 0.272 233 R C -0.014 176.323 176.300 0.063 0.000 1.029 233 R CA -0.542 55.558 56.100 -0.000 0.000 0.888 233 R CB 0.594 30.889 30.300 -0.008 0.000 1.251 233 R HN 0.110 nan 8.270 nan 0.000 0.464 234 G N 0.590 109.453 108.800 0.105 0.000 2.697 234 G HA2 -0.161 3.799 3.960 0.001 0.000 0.240 234 G HA3 -0.161 3.799 3.960 0.001 0.000 0.240 234 G C -0.667 174.374 174.900 0.236 0.000 1.346 234 G CA -0.011 45.194 45.100 0.175 0.000 0.887 234 G HN 0.673 nan 8.290 nan 0.000 0.569 235 I N -0.489 120.206 120.570 0.208 0.000 2.730 235 I HA 0.621 4.791 4.170 0.001 0.000 0.298 235 I C -0.418 175.626 176.117 -0.122 0.000 1.089 235 I CA -0.921 60.437 61.300 0.096 0.000 1.041 235 I CB 1.940 39.956 38.000 0.027 0.000 1.235 235 I HN 0.625 nan 8.210 nan 0.000 0.423 236 I N 5.064 125.442 120.570 -0.320 0.000 2.530 236 I HA 0.501 4.671 4.170 0.001 0.000 0.297 236 I C -1.005 174.941 176.117 -0.284 0.000 1.011 236 I CA -0.292 60.619 61.300 -0.649 0.000 1.107 236 I CB 1.454 38.769 38.000 -1.142 0.000 1.285 236 I HN 0.490 nan 8.210 nan 0.000 0.436 237 K N 4.964 125.223 120.400 -0.234 0.000 2.469 237 K HA 0.579 4.899 4.320 0.001 0.000 0.254 237 K C -1.330 175.202 176.600 -0.113 0.000 0.939 237 K CA -0.963 55.246 56.287 -0.130 0.000 0.812 237 K CB 2.291 34.735 32.500 -0.094 0.000 1.301 237 K HN 0.336 nan 8.250 nan 0.000 0.433 238 V N 1.712 121.581 119.914 -0.075 0.000 2.788 238 V HA 0.067 4.187 4.120 0.001 0.000 0.307 238 V C 1.445 177.507 176.094 -0.053 0.000 1.069 238 V CA 1.961 64.227 62.300 -0.057 0.000 1.173 238 V CB 0.572 32.372 31.823 -0.037 0.000 0.925 238 V HN 1.131 nan 8.190 nan 0.000 0.492 239 G N 3.023 111.796 108.800 -0.046 0.000 2.225 239 G HA2 -0.218 3.743 3.960 0.001 0.000 0.254 239 G HA3 -0.218 3.743 3.960 0.001 0.000 0.254 239 G C 0.124 174.997 174.900 -0.045 0.000 0.988 239 G CA 0.275 45.352 45.100 -0.039 0.000 0.625 239 G HN 0.693 nan 8.290 nan 0.000 0.527 240 E N 0.950 121.110 120.200 -0.067 0.000 2.349 240 E HA 0.435 4.785 4.350 0.001 0.000 0.265 240 E C 0.017 176.579 176.600 -0.063 0.000 1.064 240 E CA -0.268 56.087 56.400 -0.074 0.000 0.886 240 E CB 0.860 30.488 29.700 -0.119 0.000 1.036 240 E HN 0.521 nan 8.360 nan 0.000 0.413 241 E N 0.976 121.151 120.200 -0.042 0.000 2.266 241 E HA 0.334 4.685 4.350 0.001 0.000 0.277 241 E C -0.684 175.910 176.600 -0.009 0.000 1.018 241 E CA -0.608 55.779 56.400 -0.022 0.000 0.840 241 E CB 1.663 31.357 29.700 -0.010 0.000 1.082 241 E HN 0.254 nan 8.360 nan 0.000 0.395 242 V N -0.774 119.147 119.914 0.012 0.000 3.007 242 V HA 0.537 4.657 4.120 0.001 0.000 0.311 242 V C -0.698 175.425 176.094 0.049 0.000 1.120 242 V CA -1.001 61.332 62.300 0.056 0.000 0.980 242 V CB 2.036 33.917 31.823 0.096 0.000 1.033 242 V HN 0.604 nan 8.190 nan 0.000 0.429 243 E N 1.837 122.072 120.200 0.058 0.000 2.183 243 E HA 0.616 4.967 4.350 0.001 0.000 0.271 243 E C -1.520 175.095 176.600 0.026 0.000 0.919 243 E CA -0.847 55.570 56.400 0.028 0.000 0.781 243 E CB 2.411 32.119 29.700 0.014 0.000 1.140 243 E HN 0.657 nan 8.360 nan 0.000 0.402 244 I N 3.184 123.758 120.570 0.006 0.000 2.291 244 I HA 0.113 4.284 4.170 0.001 0.000 0.290 244 I C -0.564 175.536 176.117 -0.029 0.000 1.050 244 I CA -0.345 60.952 61.300 -0.006 0.000 1.245 244 I CB 0.845 38.839 38.000 -0.009 0.000 1.405 244 I HN 0.158 nan 8.210 nan 0.000 0.478 245 V N 4.999 124.889 119.914 -0.040 0.000 2.483 245 V HA 0.989 5.109 4.120 0.001 0.000 0.295 245 V C 0.496 176.543 176.094 -0.079 0.000 1.035 245 V CA -0.655 61.607 62.300 -0.064 0.000 0.896 245 V CB 1.008 32.790 31.823 -0.070 0.000 0.986 245 V HN 1.007 nan 8.190 nan 0.000 0.447 246 G N 3.253 111.997 108.800 -0.093 0.000 2.627 246 G HA2 0.295 4.256 3.960 0.001 0.000 0.680 246 G HA3 0.295 4.256 3.960 0.001 0.000 0.680 246 G C -0.462 174.381 174.900 -0.095 0.000 1.341 246 G CA -0.377 44.662 45.100 -0.101 0.000 0.835 246 G HN 0.974 nan 8.290 nan 0.000 0.643 247 I N -1.348 119.164 120.570 -0.096 0.000 4.773 247 I HA -0.333 3.837 4.170 0.001 0.000 0.042 247 I C 1.771 177.818 176.117 -0.116 0.000 0.630 247 I CA 2.670 63.900 61.300 -0.117 0.000 0.606 247 I CB -2.037 35.870 38.000 -0.156 0.000 0.584 247 I HN 0.900 nan 8.210 nan 0.000 0.154 248 K N 1.229 121.565 120.400 -0.105 0.000 2.617 248 K HA 0.415 4.736 4.320 0.001 0.000 0.298 248 K C 0.357 176.915 176.600 -0.070 0.000 0.984 248 K CA -0.600 55.635 56.287 -0.087 0.000 1.299 248 K CB 0.321 32.772 32.500 -0.081 0.000 1.608 248 K HN 0.369 nan 8.250 nan 0.000 0.730 249 E N 1.437 121.602 120.200 -0.058 0.000 2.338 249 E HA 0.037 4.387 4.350 0.001 0.000 0.272 249 E C -0.944 175.626 176.600 -0.050 0.000 1.029 249 E CA -0.293 56.076 56.400 -0.051 0.000 0.872 249 E CB 0.832 30.508 29.700 -0.040 0.000 1.015 249 E HN 0.250 nan 8.360 nan 0.000 0.417 250 T N 4.606 119.129 114.554 -0.051 0.000 2.853 250 T HA 0.052 4.402 4.350 0.001 0.000 0.298 250 T C -0.189 174.492 174.700 -0.032 0.000 0.978 250 T CA 0.067 62.139 62.100 -0.045 0.000 1.152 250 T CB 0.650 69.489 68.868 -0.047 0.000 0.914 250 T HN 0.437 nan 8.240 nan 0.000 0.539 251 Q N 1.964 121.748 119.800 -0.026 0.000 2.248 251 Q HA 0.550 4.890 4.340 0.001 0.000 0.263 251 Q C -0.303 175.691 176.000 -0.009 0.000 1.007 251 Q CA -0.904 54.888 55.803 -0.018 0.000 0.877 251 Q CB 2.081 30.808 28.738 -0.017 0.000 1.315 251 Q HN 0.440 nan 8.270 nan 0.000 0.454 252 K N 0.728 121.124 120.400 -0.006 0.000 2.378 252 K HA 0.548 4.869 4.320 0.001 0.000 0.252 252 K C -1.306 175.294 176.600 0.000 0.000 0.931 252 K CA -0.226 56.061 56.287 -0.000 0.000 0.794 252 K CB 1.546 34.044 32.500 -0.002 0.000 1.181 252 K HN 0.827 nan 8.250 nan 0.000 0.425 253 S N 0.781 116.484 115.700 0.004 0.000 2.752 253 S HA 0.529 4.999 4.470 0.001 0.000 0.284 253 S C -1.087 173.512 174.600 -0.001 0.000 1.189 253 S CA -0.778 57.423 58.200 0.002 0.000 0.835 253 S CB 1.746 64.949 63.200 0.005 0.000 1.192 253 S HN 0.417 nan 8.310 nan 0.000 0.506 254 T N 0.977 115.528 114.554 -0.005 0.000 2.824 254 T HA 0.489 4.839 4.350 0.001 0.000 0.282 254 T C -0.454 174.236 174.700 -0.018 0.000 0.993 254 T CA -0.433 61.658 62.100 -0.015 0.000 0.967 254 T CB 1.117 69.976 68.868 -0.015 0.000 0.960 254 T HN 0.928 nan 8.240 nan 0.000 0.441 255 C N 4.445 123.725 119.300 -0.034 0.000 2.627 255 C HA 0.407 4.867 4.460 0.001 0.000 0.404 255 C C 1.784 176.754 174.990 -0.033 0.000 1.340 255 C CA 0.075 59.069 59.018 -0.040 0.000 1.758 255 C CB -1.438 26.252 27.740 -0.083 0.000 2.501 255 C HN 1.040 nan 8.230 nan 0.000 0.588 256 T N 2.124 116.666 114.554 -0.020 0.000 3.174 256 T HA 0.526 4.877 4.350 0.001 0.000 0.269 256 T C 0.355 175.046 174.700 -0.015 0.000 1.017 256 T CA 0.317 62.406 62.100 -0.017 0.000 0.899 256 T CB -0.019 68.842 68.868 -0.011 0.000 1.077 256 T HN 1.534 nan 8.240 nan 0.000 0.552 257 G N -0.008 108.782 108.800 -0.017 0.000 2.402 257 G HA2 0.442 4.402 3.960 0.001 0.000 0.301 257 G HA3 0.442 4.402 3.960 0.001 0.000 0.301 257 G C -1.780 173.115 174.900 -0.007 0.000 1.615 257 G CA -0.660 44.433 45.100 -0.012 0.000 0.889 257 G HN 0.248 nan 8.290 nan 0.000 0.647 258 V N 1.950 121.862 119.914 -0.004 0.000 2.320 258 V HA 0.353 4.473 4.120 0.001 0.000 0.268 258 V C 0.455 176.560 176.094 0.018 0.000 1.021 258 V CA -0.523 61.781 62.300 0.007 0.000 0.813 258 V CB 0.864 32.684 31.823 -0.004 0.000 1.054 258 V HN 0.823 nan 8.190 nan 0.000 0.444 259 E N 3.360 123.573 120.200 0.021 0.000 2.371 259 E HA 0.553 4.903 4.350 0.001 0.000 0.257 259 E C -0.367 176.257 176.600 0.041 0.000 1.134 259 E CA -0.498 55.915 56.400 0.023 0.000 0.919 259 E CB 1.136 30.838 29.700 0.004 0.000 1.025 259 E HN 0.560 nan 8.360 nan 0.000 0.438 260 M N 4.851 124.486 119.600 0.058 0.000 2.291 260 M HA 0.173 4.654 4.480 0.001 0.000 0.202 260 M C -1.577 174.832 176.300 0.182 0.000 0.985 260 M CA -0.271 55.087 55.300 0.097 0.000 0.993 260 M CB 0.229 32.879 32.600 0.083 0.000 2.723 260 M HN 0.793 nan 8.290 nan 0.000 0.402 261 F N 4.944 124.886 119.950 -0.013 0.000 2.572 261 F HA -0.356 4.171 4.527 0.001 0.000 0.282 261 F C 0.556 176.343 175.800 -0.021 0.000 1.047 261 F CA 1.846 59.833 58.000 -0.022 0.000 1.022 261 F CB -0.334 38.657 39.000 -0.015 0.000 1.226 261 F HN 0.933 nan 8.300 nan 0.000 0.827 262 R N -0.707 119.823 120.500 0.050 0.000 3.986 262 R HA -0.287 4.054 4.340 0.001 0.000 0.379 262 R C 0.143 176.488 176.300 0.076 0.000 0.669 262 R CA 2.092 58.229 56.100 0.062 0.000 1.661 262 R CB -0.937 29.438 30.300 0.125 0.000 2.089 262 R HN 0.555 nan 8.270 nan 0.000 0.432 263 K N 1.677 122.141 120.400 0.106 0.000 2.339 263 K HA 0.225 4.545 4.320 0.001 0.000 0.286 263 K C -0.395 176.231 176.600 0.044 0.000 1.050 263 K CA -0.348 55.978 56.287 0.065 0.000 0.956 263 K CB 0.712 33.249 32.500 0.063 0.000 0.990 263 K HN -0.073 nan 8.250 nan 0.000 0.475 264 L N 5.546 126.784 121.223 0.027 0.000 2.275 264 L HA 0.348 4.688 4.340 0.001 0.000 0.288 264 L C -0.943 175.935 176.870 0.014 0.000 1.046 264 L CA -0.063 54.787 54.840 0.016 0.000 0.805 264 L CB 0.459 42.523 42.059 0.008 0.000 1.193 264 L HN 0.512 nan 8.230 nan 0.000 0.426 265 L N 3.567 124.798 121.223 0.012 0.000 2.298 265 L HA 0.548 4.888 4.340 0.001 0.000 0.268 265 L C 0.177 177.046 176.870 -0.002 0.000 1.010 265 L CA -0.825 54.020 54.840 0.008 0.000 0.812 265 L CB 1.118 43.185 42.059 0.013 0.000 1.331 265 L HN 0.455 nan 8.230 nan 0.000 0.450 266 D N -0.356 120.040 120.400 -0.007 0.000 2.398 266 D HA 0.094 4.735 4.640 0.001 0.000 0.210 266 D C -0.140 176.143 176.300 -0.028 0.000 1.094 266 D CA 0.361 54.351 54.000 -0.017 0.000 0.839 266 D CB 0.912 41.703 40.800 -0.015 0.000 0.963 266 D HN 0.662 nan 8.370 nan 0.000 0.506 267 E N -1.073 119.114 120.200 -0.022 0.000 2.423 267 E HA 0.608 4.959 4.350 0.001 0.000 0.280 267 E C -0.876 175.717 176.600 -0.010 0.000 1.030 267 E CA -1.266 55.114 56.400 -0.033 0.000 0.812 267 E CB 1.463 31.145 29.700 -0.030 0.000 1.313 267 E HN -0.111 nan 8.360 nan 0.000 0.456 268 G N 0.996 109.790 108.800 -0.010 0.000 2.617 268 G HA2 0.650 4.610 3.960 0.001 0.000 0.306 268 G HA3 0.650 4.610 3.960 0.001 0.000 0.306 268 G C -1.039 173.909 174.900 0.080 0.000 1.360 268 G CA -0.969 44.159 45.100 0.047 0.000 0.983 268 G HN 0.608 nan 8.290 nan 0.000 0.496 269 R N 0.942 121.497 120.500 0.092 0.000 2.867 269 R HA 0.796 5.137 4.340 0.001 0.000 0.268 269 R C 0.011 176.375 176.300 0.106 0.000 1.014 269 R CA -0.909 55.253 56.100 0.105 0.000 0.946 269 R CB 1.421 31.758 30.300 0.063 0.000 1.208 269 R HN 0.768 nan 8.270 nan 0.000 0.477 270 A N 0.511 123.392 122.820 0.101 0.000 2.581 270 A HA 0.298 4.618 4.320 0.001 0.000 0.257 270 A C 1.348 178.961 177.584 0.049 0.000 1.022 270 A CA 1.323 53.401 52.037 0.068 0.000 0.812 270 A CB -1.224 17.808 19.000 0.053 0.000 0.918 270 A HN 1.290 nan 8.150 nan 0.000 0.516 271 G N 1.974 110.800 108.800 0.043 0.000 2.278 271 G HA2 -0.163 3.797 3.960 0.001 0.000 0.210 271 G HA3 -0.163 3.797 3.960 0.001 0.000 0.210 271 G C 0.023 174.946 174.900 0.039 0.000 1.000 271 G CA 0.205 45.326 45.100 0.034 0.000 0.635 271 G HN 0.825 nan 8.290 nan 0.000 0.495 272 E N 0.951 121.182 120.200 0.053 0.000 2.319 272 E HA 0.399 4.750 4.350 0.001 0.000 0.268 272 E C -0.487 176.152 176.600 0.065 0.000 1.050 272 E CA -0.647 55.786 56.400 0.056 0.000 0.878 272 E CB 0.734 30.469 29.700 0.059 0.000 1.066 272 E HN 0.277 nan 8.360 nan 0.000 0.406 273 N N 1.993 120.732 118.700 0.064 0.000 2.439 273 N HA 0.179 4.919 4.740 0.001 0.000 0.249 273 N C -0.430 175.129 175.510 0.082 0.000 1.003 273 N CA -0.092 53.001 53.050 0.072 0.000 0.942 273 N CB 1.338 39.867 38.487 0.071 0.000 1.115 273 N HN 0.243 nan 8.380 nan 0.000 0.505 274 V N -0.609 119.359 119.914 0.090 0.000 3.139 274 V HA 0.912 5.033 4.120 0.001 0.000 0.310 274 V C 0.322 176.469 176.094 0.089 0.000 1.260 274 V CA -0.974 61.379 62.300 0.089 0.000 1.064 274 V CB 1.469 33.348 31.823 0.093 0.000 1.160 274 V HN 0.469 nan 8.190 nan 0.000 0.470 275 G N -0.219 108.627 108.800 0.077 0.000 2.730 275 G HA2 0.592 4.553 3.960 0.001 0.000 0.291 275 G HA3 0.592 4.553 3.960 0.001 0.000 0.291 275 G C -1.274 173.666 174.900 0.067 0.000 1.456 275 G CA -0.423 44.721 45.100 0.074 0.000 0.996 275 G HN 0.842 nan 8.290 nan 0.000 0.528 276 V N 4.390 124.354 119.914 0.082 0.000 2.364 276 V HA 0.279 4.400 4.120 0.001 0.000 0.272 276 V C 0.156 176.281 176.094 0.052 0.000 1.036 276 V CA -0.930 61.410 62.300 0.066 0.000 0.880 276 V CB 1.294 33.178 31.823 0.102 0.000 0.991 276 V HN 0.520 nan 8.190 nan 0.000 0.460 277 L N 6.536 127.777 121.223 0.029 0.000 2.360 277 L HA 0.437 4.777 4.340 0.001 0.000 0.276 277 L C -0.100 176.779 176.870 0.017 0.000 1.121 277 L CA 0.414 55.269 54.840 0.023 0.000 0.845 277 L CB 0.920 42.986 42.059 0.011 0.000 1.143 277 L HN 0.499 nan 8.230 nan 0.000 0.452 278 L N 4.280 125.515 121.223 0.021 0.000 2.334 278 L HA 0.545 4.886 4.340 0.001 0.000 0.276 278 L C 0.262 177.138 176.870 0.009 0.000 1.014 278 L CA -0.705 54.143 54.840 0.014 0.000 0.815 278 L CB 2.261 44.332 42.059 0.021 0.000 1.268 278 L HN 0.549 nan 8.230 nan 0.000 0.428 279 R N 1.233 121.735 120.500 0.003 0.000 2.265 279 R HA 0.568 4.908 4.340 0.001 0.000 0.319 279 R C 0.609 176.909 176.300 0.000 0.000 1.006 279 R CA 0.797 56.898 56.100 0.000 0.000 0.880 279 R CB 1.026 31.324 30.300 -0.004 0.000 1.077 279 R HN 0.873 nan 8.270 nan 0.000 0.454 280 G N 4.712 113.513 108.800 0.001 0.000 2.850 280 G HA2 -0.243 3.717 3.960 0.001 0.000 0.207 280 G HA3 -0.243 3.717 3.960 0.001 0.000 0.207 280 G C 0.156 175.055 174.900 -0.001 0.000 1.302 280 G CA -0.127 44.972 45.100 -0.001 0.000 0.832 280 G HN 0.548 nan 8.290 nan 0.000 0.543 281 I N 2.646 123.216 120.570 0.000 0.000 2.648 281 I HA 0.241 4.411 4.170 0.001 0.000 0.284 281 I C 0.776 176.893 176.117 -0.000 0.000 1.153 281 I CA 0.169 61.468 61.300 -0.002 0.000 1.426 281 I CB 0.874 38.873 38.000 -0.002 0.000 1.381 281 I HN 0.171 nan 8.210 nan 0.000 0.571 282 K N 5.199 125.596 120.400 -0.004 0.000 2.087 282 K HA 0.275 4.595 4.320 0.001 0.000 0.255 282 K C 1.006 177.601 176.600 -0.008 0.000 0.988 282 K CA -0.702 55.583 56.287 -0.003 0.000 0.915 282 K CB 1.315 33.812 32.500 -0.006 0.000 1.043 282 K HN 0.462 nan 8.250 nan 0.000 0.457 283 R N 1.535 122.031 120.500 -0.006 0.000 2.113 283 R HA -0.245 4.096 4.340 0.001 0.000 0.244 283 R C 0.965 177.246 176.300 -0.033 0.000 1.142 283 R CA 2.159 58.248 56.100 -0.020 0.000 0.953 283 R CB -0.026 30.264 30.300 -0.018 0.000 0.860 283 R HN 0.590 nan 8.270 nan 0.000 0.438 284 E N 0.294 120.478 120.200 -0.027 0.000 2.455 284 E HA -0.160 4.190 4.350 0.001 0.000 0.202 284 E C 1.104 177.684 176.600 -0.033 0.000 1.045 284 E CA 1.193 57.575 56.400 -0.031 0.000 0.872 284 E CB 0.031 29.717 29.700 -0.023 0.000 0.792 284 E HN 0.576 nan 8.360 nan 0.000 0.542 285 E N -0.074 120.108 120.200 -0.030 0.000 2.479 285 E HA 0.043 4.393 4.350 0.001 0.000 0.193 285 E C -0.025 176.553 176.600 -0.037 0.000 1.049 285 E CA -0.060 56.322 56.400 -0.031 0.000 0.870 285 E CB 0.465 30.151 29.700 -0.023 0.000 0.944 285 E HN 0.159 nan 8.360 nan 0.000 0.492 286 I N 1.919 122.464 120.570 -0.040 0.000 2.392 286 I HA 0.245 4.415 4.170 0.001 0.000 0.295 286 I C 0.400 176.484 176.117 -0.055 0.000 0.985 286 I CA -0.479 60.794 61.300 -0.045 0.000 1.221 286 I CB 1.175 39.149 38.000 -0.042 0.000 1.366 286 I HN -0.114 nan 8.210 nan 0.000 0.467 287 E N 4.859 125.025 120.200 -0.057 0.000 2.277 287 E HA 0.451 4.801 4.350 0.001 0.000 0.266 287 E C -0.499 176.069 176.600 -0.054 0.000 0.901 287 E CA -1.046 55.318 56.400 -0.061 0.000 0.782 287 E CB 2.004 31.657 29.700 -0.077 0.000 1.228 287 E HN 0.347 nan 8.360 nan 0.000 0.424 288 R N -0.215 120.257 120.500 -0.046 0.000 2.489 288 R HA 0.320 4.660 4.340 0.001 0.000 0.287 288 R C 1.034 177.314 176.300 -0.033 0.000 1.053 288 R CA 1.301 57.381 56.100 -0.033 0.000 1.036 288 R CB 0.207 30.498 30.300 -0.014 0.000 0.966 288 R HN 0.862 nan 8.270 nan 0.000 0.432 289 G N 1.652 110.429 108.800 -0.038 0.000 2.238 289 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 289 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 289 G C 0.010 174.875 174.900 -0.058 0.000 0.996 289 G CA -0.477 44.597 45.100 -0.044 0.000 0.632 289 G HN 0.551 nan 8.290 nan 0.000 0.503 290 Q N 0.469 120.235 119.800 -0.056 0.000 2.299 290 Q HA 0.550 4.890 4.340 0.001 0.000 0.246 290 Q C 0.363 176.330 176.000 -0.055 0.000 0.935 290 Q CA 0.123 55.890 55.803 -0.059 0.000 0.887 290 Q CB 2.379 31.086 28.738 -0.053 0.000 1.223 290 Q HN 0.893 nan 8.270 nan 0.000 0.439 291 V N -0.369 119.509 119.914 -0.060 0.000 2.715 291 V HA 0.553 4.673 4.120 0.001 0.000 0.310 291 V C -0.933 175.133 176.094 -0.047 0.000 1.054 291 V CA -1.198 61.062 62.300 -0.068 0.000 0.928 291 V CB 1.531 33.300 31.823 -0.089 0.000 1.007 291 V HN 0.519 nan 8.190 nan 0.000 0.437 292 L N 3.663 124.859 121.223 -0.044 0.000 2.292 292 L HA 0.909 5.249 4.340 0.001 0.000 0.284 292 L C 0.350 177.218 176.870 -0.002 0.000 1.065 292 L CA 0.520 55.387 54.840 0.046 0.000 0.806 292 L CB 0.752 42.909 42.059 0.164 0.000 1.175 292 L HN 1.262 nan 8.230 nan 0.000 0.431 293 A N 4.141 127.018 122.820 0.095 0.000 2.566 293 A HA 0.530 4.850 4.320 0.001 0.000 0.292 293 A C -0.974 176.732 177.584 0.203 0.000 1.112 293 A CA -0.833 51.264 52.037 0.100 0.000 0.707 293 A CB 1.075 20.077 19.000 0.004 0.000 1.302 293 A HN 0.548 nan 8.150 nan 0.000 0.409 294 K N 1.131 121.657 120.400 0.211 0.000 2.416 294 K HA 0.293 4.614 4.320 0.001 0.000 0.283 294 K C -2.412 174.235 176.600 0.079 0.000 1.037 294 K CA -1.360 55.020 56.287 0.155 0.000 0.995 294 K CB 0.151 32.737 32.500 0.142 0.000 0.938 294 K HN 0.282 nan 8.250 nan 0.000 0.475 295 P HA -0.118 nan 4.420 nan 0.000 0.259 295 P C 0.044 177.357 177.300 0.021 0.000 1.163 295 P CA 1.283 64.401 63.100 0.029 0.000 0.760 295 P CB 0.340 32.051 31.700 0.019 0.000 0.762 296 G N 2.616 111.422 108.800 0.011 0.000 2.198 296 G HA2 -0.298 3.663 3.960 0.001 0.000 0.260 296 G HA3 -0.298 3.663 3.960 0.001 0.000 0.260 296 G C 0.765 175.672 174.900 0.011 0.000 1.025 296 G CA 0.695 45.798 45.100 0.006 0.000 0.769 296 G HN 0.616 nan 8.290 nan 0.000 0.507 297 T N -2.976 111.587 114.554 0.015 0.000 2.990 297 T HA 0.616 4.966 4.350 0.001 0.000 0.250 297 T C 0.759 175.465 174.700 0.009 0.000 1.041 297 T CA 0.767 62.877 62.100 0.017 0.000 1.010 297 T CB 0.794 69.679 68.868 0.028 0.000 1.003 297 T HN 0.911 nan 8.240 nan 0.000 0.499 298 I N 0.554 121.123 120.570 -0.002 0.000 2.692 298 I HA 0.491 4.661 4.170 0.001 0.000 0.293 298 I C -1.723 174.369 176.117 -0.042 0.000 1.200 298 I CA -0.969 60.324 61.300 -0.012 0.000 1.036 298 I CB 2.313 40.298 38.000 -0.025 0.000 1.258 298 I HN -0.064 nan 8.210 nan 0.000 0.421 299 K N 7.596 127.961 120.400 -0.058 0.000 2.267 299 K HA 0.596 4.916 4.320 0.001 0.000 0.246 299 K C -2.651 173.728 176.600 -0.368 0.000 0.954 299 K CA -1.680 54.493 56.287 -0.191 0.000 0.824 299 K CB 1.811 34.184 32.500 -0.212 0.000 1.167 299 K HN 0.293 nan 8.250 nan 0.000 0.431 300 P HA 0.206 nan 4.420 nan 0.000 0.279 300 P C -1.234 175.693 177.300 -0.622 0.000 1.239 300 P CA -0.128 62.749 63.100 -0.372 0.000 0.789 300 P CB 0.930 32.494 31.700 -0.227 0.000 0.933 301 H N -0.463 118.537 119.070 -0.118 0.000 2.977 301 H HA 0.478 5.034 4.556 0.001 0.000 0.350 301 H C 0.763 176.038 175.328 -0.088 0.000 1.238 301 H CA -0.425 55.569 56.048 -0.089 0.000 1.124 301 H CB 1.985 31.695 29.762 -0.087 0.000 1.866 301 H HN 0.333 nan 8.280 nan 0.000 0.550 302 T N -2.692 111.927 114.554 0.110 0.000 2.980 302 T HA 0.215 4.566 4.350 0.001 0.000 0.252 302 T C 0.376 175.108 174.700 0.053 0.000 0.962 302 T CA -0.276 61.848 62.100 0.040 0.000 0.932 302 T CB 0.642 69.511 68.868 0.002 0.000 1.188 302 T HN 0.297 nan 8.240 nan 0.000 0.500 303 K N 0.957 121.406 120.400 0.082 0.000 2.345 303 K HA 0.632 4.952 4.320 0.001 0.000 0.255 303 K C -1.706 174.968 176.600 0.123 0.000 0.934 303 K CA -1.184 55.106 56.287 0.005 0.000 0.801 303 K CB 1.428 33.906 32.500 -0.036 0.000 1.137 303 K HN 0.352 nan 8.250 nan 0.000 0.424 304 F N -0.185 119.698 119.950 -0.111 0.000 2.668 304 F HA 0.413 4.940 4.527 0.001 0.000 0.309 304 F C -1.183 174.598 175.800 -0.032 0.000 1.117 304 F CA -1.100 56.851 58.000 -0.082 0.000 0.951 304 F CB 1.232 40.179 39.000 -0.088 0.000 1.323 304 F HN 0.422 nan 8.300 nan 0.000 0.451 305 E N 1.880 122.195 120.200 0.192 0.000 2.156 305 E HA 0.608 4.958 4.350 0.001 0.000 0.279 305 E C -1.128 175.643 176.600 0.286 0.000 0.965 305 E CA -0.495 55.985 56.400 0.134 0.000 0.789 305 E CB 1.557 31.320 29.700 0.104 0.000 1.098 305 E HN 0.876 nan 8.360 nan 0.000 0.397 306 S N 3.424 119.296 115.700 0.287 0.000 2.704 306 S HA 0.520 4.990 4.470 0.001 0.000 0.296 306 S C -0.763 174.015 174.600 0.295 0.000 1.138 306 S CA -1.028 57.416 58.200 0.408 0.000 0.875 306 S CB 1.847 65.495 63.200 0.746 0.000 1.151 306 S HN 0.460 nan 8.310 nan 0.000 0.500 307 E N 0.672 121.037 120.200 0.274 0.000 2.165 307 E HA 0.626 4.977 4.350 0.001 0.000 0.266 307 E C -1.233 175.478 176.600 0.184 0.000 0.889 307 E CA -0.575 55.941 56.400 0.194 0.000 0.756 307 E CB 1.996 31.780 29.700 0.140 0.000 1.131 307 E HN 0.529 nan 8.360 nan 0.000 0.411 308 V N 2.959 122.988 119.914 0.192 0.000 2.914 308 V HA 0.392 4.513 4.120 0.001 0.000 0.314 308 V C -1.052 175.143 176.094 0.169 0.000 1.084 308 V CA -1.050 61.354 62.300 0.173 0.000 0.963 308 V CB 2.026 34.001 31.823 0.253 0.000 1.025 308 V HN 0.637 nan 8.190 nan 0.000 0.432 309 Y N 3.954 124.270 120.300 0.027 0.000 2.332 309 Y HA 0.629 5.179 4.550 0.001 0.000 0.326 309 Y C -0.636 175.274 175.900 0.017 0.000 0.978 309 Y CA -0.997 57.108 58.100 0.009 0.000 1.205 309 Y CB 1.136 39.583 38.460 -0.022 0.000 1.131 309 Y HN 0.472 nan 8.280 nan 0.000 0.462 310 I N 7.410 127.587 120.570 -0.654 0.000 2.396 310 I HA 0.108 4.279 4.170 0.001 0.000 0.289 310 I C 0.467 176.052 176.117 -0.887 0.000 1.056 310 I CA -0.298 60.696 61.300 -0.510 0.000 1.365 310 I CB 0.365 38.206 38.000 -0.265 0.000 1.407 310 I HN 0.681 nan 8.210 nan 0.000 0.509 311 L N 5.066 125.969 121.223 -0.534 0.000 2.456 311 L HA 0.086 4.427 4.340 0.001 0.000 0.266 311 L C 1.026 177.742 176.870 -0.257 0.000 1.258 311 L CA 0.116 54.761 54.840 -0.325 0.000 0.823 311 L CB 0.086 42.083 42.059 -0.103 0.000 1.100 311 L HN 0.763 nan 8.230 nan 0.000 0.531 312 S N -0.931 114.695 115.700 -0.123 0.000 2.704 312 S HA 0.343 4.813 4.470 0.001 0.000 0.305 312 S C 0.517 175.018 174.600 -0.164 0.000 1.107 312 S CA -1.001 57.124 58.200 -0.125 0.000 0.993 312 S CB 1.981 65.156 63.200 -0.040 0.000 1.110 312 S HN 0.520 nan 8.310 nan 0.000 0.534 313 K N 0.732 121.014 120.400 -0.197 0.000 2.059 313 K HA -0.170 4.151 4.320 0.001 0.000 0.212 313 K C 1.156 177.702 176.600 -0.089 0.000 1.050 313 K CA 2.073 58.201 56.287 -0.265 0.000 0.927 313 K CB -0.427 32.033 32.500 -0.066 0.000 0.714 313 K HN 0.602 nan 8.250 nan 0.000 0.447 314 D N 0.883 121.266 120.400 -0.028 0.000 2.219 314 D HA -0.126 4.515 4.640 0.001 0.000 0.205 314 D C 1.198 177.500 176.300 0.003 0.000 0.970 314 D CA 0.984 54.989 54.000 0.008 0.000 0.851 314 D CB -0.002 40.804 40.800 0.010 0.000 0.943 314 D HN 0.373 nan 8.370 nan 0.000 0.488 315 E N -0.168 120.024 120.200 -0.012 0.000 2.494 315 E HA 0.166 4.516 4.350 0.001 0.000 0.193 315 E C 0.970 177.562 176.600 -0.014 0.000 1.074 315 E CA 0.040 56.440 56.400 0.001 0.000 0.867 315 E CB 0.224 29.941 29.700 0.028 0.000 0.924 315 E HN 0.269 nan 8.360 nan 0.000 0.502 316 G N 0.626 109.410 108.800 -0.027 0.000 2.136 316 G HA2 -0.251 3.709 3.960 0.001 0.000 0.242 316 G HA3 -0.251 3.709 3.960 0.001 0.000 0.242 316 G C 0.472 175.332 174.900 -0.066 0.000 0.989 316 G CA -0.086 45.008 45.100 -0.010 0.000 0.682 316 G HN 0.492 nan 8.290 nan 0.000 0.522 317 G N -0.792 107.908 108.800 -0.168 0.000 2.773 317 G HA2 0.593 4.553 3.960 0.001 0.000 0.186 317 G HA3 0.593 4.553 3.960 0.001 0.000 0.186 317 G C 0.293 174.976 174.900 -0.362 0.000 1.411 317 G CA -0.774 44.211 45.100 -0.193 0.000 1.054 317 G HN 0.470 nan 8.290 nan 0.000 0.579 318 R N -0.685 119.655 120.500 -0.267 0.000 2.491 318 R HA 0.231 4.571 4.340 0.001 0.000 0.283 318 R C 0.195 176.264 176.300 -0.385 0.000 1.072 318 R CA 0.054 56.018 56.100 -0.226 0.000 1.048 318 R CB 0.388 30.632 30.300 -0.093 0.000 0.983 318 R HN 0.610 nan 8.270 nan 0.000 0.450 319 H N -1.014 118.034 119.070 -0.036 0.000 2.586 319 H HA 0.094 4.651 4.556 0.001 0.000 0.273 319 H C -0.025 175.277 175.328 -0.043 0.000 0.997 319 H CA 0.156 56.183 56.048 -0.035 0.000 1.177 319 H CB 0.715 30.464 29.762 -0.021 0.000 1.471 319 H HN 0.556 nan 8.280 nan 0.000 0.538 320 T N -1.190 113.376 114.554 0.019 0.000 2.912 320 T HA 0.383 4.733 4.350 0.001 0.000 0.299 320 T C -3.125 171.504 174.700 -0.119 0.000 1.052 320 T CA -2.254 59.834 62.100 -0.020 0.000 0.996 320 T CB 3.195 72.079 68.868 0.026 0.000 1.070 320 T HN -0.189 nan 8.240 nan 0.000 0.465 321 P HA 0.421 nan 4.420 nan 0.000 0.274 321 P C -0.885 176.063 177.300 -0.587 0.000 1.237 321 P CA -0.517 62.311 63.100 -0.453 0.000 0.793 321 P CB 0.458 31.850 31.700 -0.513 0.000 0.977 322 F N -0.405 119.092 119.950 -0.754 0.000 2.556 322 F HA 0.771 5.298 4.527 0.001 0.000 0.327 322 F C -0.895 174.382 175.800 -0.871 0.000 1.059 322 F CA -1.369 56.164 58.000 -0.778 0.000 0.953 322 F CB 0.714 39.185 39.000 -0.881 0.000 1.227 322 F HN 0.090 nan 8.300 nan 0.000 0.478 323 F N -0.402 119.673 119.950 0.208 0.000 2.661 323 F HA 0.560 5.087 4.527 0.001 0.000 0.347 323 F C 0.116 176.069 175.800 0.255 0.000 1.086 323 F CA -1.553 56.535 58.000 0.148 0.000 1.016 323 F CB 0.947 39.989 39.000 0.071 0.000 1.368 323 F HN 0.347 nan 8.300 nan 0.000 0.505 324 K N 0.215 120.843 120.400 0.380 0.000 2.494 324 K HA 0.316 4.636 4.320 0.001 0.000 0.273 324 K C 0.818 177.575 176.600 0.261 0.000 0.970 324 K CA 0.999 57.453 56.287 0.277 0.000 0.963 324 K CB -0.292 32.320 32.500 0.188 0.000 0.913 324 K HN 0.944 nan 8.250 nan 0.000 0.502 325 G N 0.771 109.694 108.800 0.206 0.000 2.175 325 G HA2 -0.293 3.667 3.960 0.001 0.000 0.244 325 G HA3 -0.293 3.667 3.960 0.001 0.000 0.244 325 G C -0.453 174.563 174.900 0.193 0.000 0.982 325 G CA 0.051 45.249 45.100 0.163 0.000 0.641 325 G HN 0.599 nan 8.290 nan 0.000 0.527 326 Y N 2.161 122.491 120.300 0.050 0.000 2.402 326 Y HA 0.607 5.158 4.550 0.001 0.000 0.333 326 Y C 0.761 176.610 175.900 -0.084 0.000 1.076 326 Y CA -1.018 57.038 58.100 -0.072 0.000 1.299 326 Y CB 0.449 38.740 38.460 -0.281 0.000 1.197 326 Y HN 0.181 nan 8.280 nan 0.000 0.517 327 R N 8.219 128.532 120.500 -0.313 0.000 2.335 327 R HA 0.328 4.668 4.340 0.001 0.000 0.302 327 R C -2.576 173.383 176.300 -0.568 0.000 1.147 327 R CA -1.738 54.173 56.100 -0.315 0.000 1.111 327 R CB 0.785 31.011 30.300 -0.123 0.000 1.122 327 R HN 0.502 nan 8.270 nan 0.000 0.557 328 P HA 0.168 nan 4.420 nan 0.000 0.283 328 P C -1.014 176.004 177.300 -0.470 0.000 1.271 328 P CA -0.727 61.865 63.100 -0.847 0.000 0.841 328 P CB 1.208 32.167 31.700 -1.235 0.000 1.122 329 Q N 1.163 120.736 119.800 -0.378 0.000 2.349 329 Q HA 0.327 4.667 4.340 0.001 0.000 0.254 329 Q C -0.735 175.135 176.000 -0.217 0.000 0.980 329 Q CA -0.011 55.707 55.803 -0.143 0.000 0.924 329 Q CB -0.007 28.695 28.738 -0.060 0.000 1.209 329 Q HN 0.378 nan 8.270 nan 0.000 0.445 330 F N 2.341 122.309 119.950 0.030 0.000 2.404 330 F HA 0.136 4.663 4.527 0.001 0.000 0.358 330 F C 0.183 176.009 175.800 0.043 0.000 1.120 330 F CA -0.867 57.131 58.000 -0.003 0.000 1.144 330 F CB 0.422 39.405 39.000 -0.029 0.000 1.133 330 F HN 0.382 nan 8.300 nan 0.000 0.495 331 Y N 4.670 124.959 120.300 -0.018 0.000 2.425 331 Y HA 0.408 4.958 4.550 0.001 0.000 0.347 331 Y C -1.259 174.588 175.900 -0.089 0.000 0.976 331 Y CA -1.063 57.043 58.100 0.010 0.000 1.190 331 Y CB 0.082 38.546 38.460 0.007 0.000 1.136 331 Y HN 0.424 nan 8.280 nan 0.000 0.517 332 F N 7.011 126.856 119.950 -0.175 0.000 2.325 332 F HA 0.416 4.943 4.527 0.001 0.000 0.369 332 F C 0.751 176.356 175.800 -0.325 0.000 1.095 332 F CA -0.616 57.304 58.000 -0.133 0.000 1.082 332 F CB 0.937 39.890 39.000 -0.079 0.000 1.289 332 F HN 0.666 nan 8.300 nan 0.000 0.462 333 R N -0.478 119.934 120.500 -0.147 0.000 1.247 333 R HA -0.276 4.064 4.340 0.001 0.000 0.031 333 R C 1.308 177.437 176.300 -0.286 0.000 0.958 333 R CA 2.240 58.258 56.100 -0.137 0.000 1.979 333 R CB -1.628 28.644 30.300 -0.047 0.000 0.185 333 R HN 0.644 nan 8.270 nan 0.000 0.728 334 T N -3.221 111.093 114.554 -0.400 0.000 3.009 334 T HA 0.189 4.539 4.350 0.001 0.000 0.267 334 T C 0.353 174.896 174.700 -0.261 0.000 0.942 334 T CA 0.506 62.457 62.100 -0.250 0.000 0.883 334 T CB 0.939 69.767 68.868 -0.067 0.000 1.192 334 T HN 0.588 nan 8.240 nan 0.000 0.524 335 T N -0.798 113.501 114.554 -0.424 0.000 2.816 335 T HA 0.598 4.948 4.350 0.001 0.000 0.299 335 T C -2.135 172.569 174.700 0.006 0.000 1.230 335 T CA -0.818 61.231 62.100 -0.085 0.000 1.007 335 T CB 2.063 70.943 68.868 0.019 0.000 1.289 335 T HN -0.068 nan 8.240 nan 0.000 0.508 336 D N 0.766 121.296 120.400 0.217 0.000 2.210 336 D HA 0.571 5.212 4.640 0.001 0.000 0.249 336 D C -0.666 175.751 176.300 0.196 0.000 1.078 336 D CA -0.179 53.971 54.000 0.250 0.000 0.875 336 D CB 1.929 42.855 40.800 0.211 0.000 1.175 336 D HN 0.430 nan 8.370 nan 0.000 0.440 337 V N 2.282 122.345 119.914 0.248 0.000 2.525 337 V HA 0.191 4.311 4.120 0.001 0.000 0.299 337 V C 0.380 176.614 176.094 0.233 0.000 1.034 337 V CA -0.761 61.666 62.300 0.211 0.000 0.863 337 V CB 2.068 34.024 31.823 0.222 0.000 0.999 337 V HN 0.501 nan 8.190 nan 0.000 0.423 338 T N 3.699 118.322 114.554 0.114 0.000 2.926 338 T HA 0.533 4.884 4.350 0.001 0.000 0.307 338 T C 0.472 175.238 174.700 0.110 0.000 1.059 338 T CA 0.481 62.638 62.100 0.094 0.000 1.122 338 T CB 1.030 69.896 68.868 -0.004 0.000 0.972 338 T HN 1.063 nan 8.240 nan 0.000 0.545 339 G N 0.844 109.753 108.800 0.182 0.000 2.690 339 G HA2 0.632 4.592 3.960 0.001 0.000 0.291 339 G HA3 0.632 4.592 3.960 0.001 0.000 0.291 339 G C -0.798 174.135 174.900 0.054 0.000 1.403 339 G CA -0.868 44.265 45.100 0.056 0.000 0.864 339 G HN 0.793 nan 8.290 nan 0.000 0.480 340 T N -0.686 113.838 114.554 -0.049 0.000 2.779 340 T HA 0.647 4.998 4.350 0.001 0.000 0.280 340 T C -0.000 174.678 174.700 -0.036 0.000 0.987 340 T CA -0.734 61.346 62.100 -0.034 0.000 0.966 340 T CB 1.325 70.169 68.868 -0.041 0.000 0.933 340 T HN 0.325 nan 8.240 nan 0.000 0.442 341 I N 2.364 122.948 120.570 0.024 0.000 2.612 341 I HA 0.405 4.575 4.170 0.001 0.000 0.295 341 I C 0.658 176.811 176.117 0.061 0.000 1.011 341 I CA -0.525 60.815 61.300 0.068 0.000 1.326 341 I CB 1.109 39.204 38.000 0.159 0.000 1.427 341 I HN 0.911 nan 8.210 nan 0.000 0.537 342 E N 5.683 125.916 120.200 0.055 0.000 2.580 342 E HA 0.371 4.722 4.350 0.001 0.000 0.248 342 E C -1.172 175.474 176.600 0.077 0.000 1.018 342 E CA -0.411 56.020 56.400 0.053 0.000 0.775 342 E CB 0.899 30.605 29.700 0.009 0.000 1.378 342 E HN 0.445 nan 8.360 nan 0.000 0.401 343 L N 3.534 124.822 121.223 0.110 0.000 2.472 343 L HA 0.352 4.693 4.340 0.001 0.000 0.260 343 L C -1.868 175.049 176.870 0.078 0.000 1.209 343 L CA -1.696 53.210 54.840 0.110 0.000 0.817 343 L CB -0.145 41.989 42.059 0.125 0.000 1.106 343 L HN 0.410 nan 8.230 nan 0.000 0.479 344 P HA 0.055 nan 4.420 nan 0.000 0.274 344 P C -0.787 176.543 177.300 0.051 0.000 1.237 344 P CA -0.584 62.550 63.100 0.057 0.000 0.793 344 P CB 0.430 32.165 31.700 0.057 0.000 0.977 345 E N 0.722 120.948 120.200 0.043 0.000 2.529 345 E HA 0.098 4.449 4.350 0.001 0.000 0.259 345 E C 1.051 177.673 176.600 0.037 0.000 0.966 345 E CA 1.089 57.512 56.400 0.038 0.000 0.937 345 E CB -0.485 29.234 29.700 0.032 0.000 0.923 345 E HN 0.721 nan 8.360 nan 0.000 0.468 346 G N 2.944 111.766 108.800 0.037 0.000 2.383 346 G HA2 -0.308 3.653 3.960 0.001 0.000 0.229 346 G HA3 -0.308 3.653 3.960 0.001 0.000 0.229 346 G C 0.210 175.132 174.900 0.037 0.000 1.089 346 G CA 0.067 45.188 45.100 0.034 0.000 0.640 346 G HN 0.587 nan 8.290 nan 0.000 0.510 347 V N 2.840 122.777 119.914 0.038 0.000 2.403 347 V HA 0.394 4.515 4.120 0.001 0.000 0.265 347 V C 1.119 177.245 176.094 0.054 0.000 1.034 347 V CA 1.333 63.653 62.300 0.033 0.000 1.036 347 V CB 0.765 32.605 31.823 0.029 0.000 1.032 347 V HN 0.730 nan 8.190 nan 0.000 0.478 348 E N 4.432 124.670 120.200 0.064 0.000 2.660 348 E HA 0.439 4.790 4.350 0.001 0.000 0.216 348 E C 0.029 176.741 176.600 0.187 0.000 0.986 348 E CA -0.266 56.207 56.400 0.121 0.000 1.037 348 E CB 0.992 30.760 29.700 0.113 0.000 1.041 348 E HN 0.628 nan 8.360 nan 0.000 0.480 349 M N 0.885 120.505 119.600 0.034 0.000 2.562 349 M HA 0.332 4.812 4.480 0.001 0.000 0.281 349 M C -2.266 173.816 176.300 -0.364 0.000 1.195 349 M CA -0.796 54.399 55.300 -0.175 0.000 0.888 349 M CB 2.528 35.087 32.600 -0.068 0.000 1.731 349 M HN -0.073 nan 8.290 nan 0.000 0.493 350 V N 4.546 124.030 119.914 -0.716 0.000 2.482 350 V HA 0.477 4.597 4.120 0.001 0.000 0.295 350 V C -0.447 175.179 176.094 -0.780 0.000 1.026 350 V CA -0.734 61.085 62.300 -0.803 0.000 0.856 350 V CB 1.782 32.813 31.823 -1.321 0.000 1.001 350 V HN 0.818 nan 8.190 nan 0.000 0.424 351 M N 6.832 126.153 119.600 -0.465 0.000 2.274 351 M HA 0.441 4.921 4.480 0.001 0.000 0.344 351 M C -2.399 173.712 176.300 -0.314 0.000 1.161 351 M CA -2.519 52.572 55.300 -0.348 0.000 1.126 351 M CB 1.294 33.766 32.600 -0.215 0.000 1.522 351 M HN 0.280 nan 8.290 nan 0.000 0.461 352 P HA 0.142 nan 4.420 nan 0.000 0.269 352 P C 0.656 177.830 177.300 -0.209 0.000 1.209 352 P CA 0.509 63.464 63.100 -0.242 0.000 0.776 352 P CB 0.541 32.115 31.700 -0.209 0.000 0.876 353 G N 0.853 109.488 108.800 -0.275 0.000 2.159 353 G HA2 -0.191 3.770 3.960 0.001 0.000 0.256 353 G HA3 -0.191 3.770 3.960 0.001 0.000 0.256 353 G C -0.073 174.776 174.900 -0.085 0.000 0.977 353 G CA 0.149 45.156 45.100 -0.156 0.000 0.652 353 G HN 0.663 nan 8.290 nan 0.000 0.531 354 D N 0.843 121.123 120.400 -0.201 0.000 2.198 354 D HA 0.504 5.144 4.640 0.001 0.000 0.247 354 D C 0.177 176.435 176.300 -0.070 0.000 1.010 354 D CA -0.519 53.427 54.000 -0.091 0.000 0.880 354 D CB 0.673 41.388 40.800 -0.140 0.000 1.209 354 D HN 0.343 nan 8.370 nan 0.000 0.451 355 N N 2.382 121.129 118.700 0.078 0.000 2.370 355 N HA 0.556 5.296 4.740 0.001 0.000 0.303 355 N C -1.149 174.411 175.510 0.084 0.000 1.103 355 N CA -0.584 52.546 53.050 0.133 0.000 0.848 355 N CB 2.442 41.068 38.487 0.231 0.000 1.235 355 N HN 0.390 nan 8.380 nan 0.000 0.496 356 I N -1.017 119.612 120.570 0.098 0.000 3.004 356 I HA 0.351 4.521 4.170 0.001 0.000 0.305 356 I C -1.304 174.894 176.117 0.134 0.000 1.312 356 I CA -0.729 60.628 61.300 0.095 0.000 0.992 356 I CB 2.285 40.323 38.000 0.062 0.000 1.282 356 I HN 0.637 nan 8.210 nan 0.000 0.449 357 K N 7.029 127.504 120.400 0.124 0.000 2.156 357 K HA 0.784 5.105 4.320 0.001 0.000 0.271 357 K C -1.386 175.297 176.600 0.139 0.000 0.995 357 K CA -0.618 55.752 56.287 0.138 0.000 0.890 357 K CB 0.913 33.482 32.500 0.116 0.000 1.073 357 K HN 0.758 nan 8.250 nan 0.000 0.454 358 M N 1.621 121.314 119.600 0.155 0.000 2.322 358 M HA 0.288 4.768 4.480 0.001 0.000 0.285 358 M C -1.439 174.888 176.300 0.044 0.000 1.119 358 M CA -1.094 54.281 55.300 0.124 0.000 0.953 358 M CB 1.799 34.512 32.600 0.188 0.000 1.701 358 M HN 0.047 nan 8.290 nan 0.000 0.479 359 V N 3.527 123.431 119.914 -0.018 0.000 2.530 359 V HA 0.512 4.633 4.120 0.001 0.000 0.282 359 V C -0.025 175.911 176.094 -0.264 0.000 1.048 359 V CA -0.421 61.803 62.300 -0.128 0.000 0.997 359 V CB 1.313 33.091 31.823 -0.076 0.000 0.987 359 V HN 0.736 nan 8.190 nan 0.000 0.477 360 V N 3.834 123.392 119.914 -0.594 0.000 2.715 360 V HA 0.605 4.726 4.120 0.001 0.000 0.310 360 V C -0.003 175.682 176.094 -0.681 0.000 1.054 360 V CA -0.451 61.377 62.300 -0.788 0.000 0.928 360 V CB 2.442 33.375 31.823 -1.484 0.000 1.007 360 V HN 0.919 nan 8.190 nan 0.000 0.437 361 T N 4.954 119.239 114.554 -0.449 0.000 2.906 361 T HA 0.558 4.908 4.350 0.001 0.000 0.302 361 T C -0.480 174.080 174.700 -0.233 0.000 1.002 361 T CA -0.333 61.605 62.100 -0.271 0.000 0.988 361 T CB 0.778 69.547 68.868 -0.164 0.000 0.972 361 T HN 0.354 nan 8.240 nan 0.000 0.447 362 L N 3.064 124.179 121.223 -0.180 0.000 2.418 362 L HA 0.420 4.760 4.340 0.001 0.000 0.265 362 L C 1.296 178.101 176.870 -0.109 0.000 1.143 362 L CA -0.753 54.011 54.840 -0.128 0.000 0.809 362 L CB 0.505 42.519 42.059 -0.076 0.000 1.124 362 L HN 0.532 nan 8.230 nan 0.000 0.456 363 I N 0.153 120.635 120.570 -0.147 0.000 2.676 363 I HA -0.089 4.081 4.170 0.001 0.000 0.259 363 I C 0.469 176.380 176.117 -0.343 0.000 1.194 363 I CA 0.944 62.078 61.300 -0.277 0.000 1.473 363 I CB -0.267 37.508 38.000 -0.376 0.000 1.096 363 I HN 0.482 nan 8.210 nan 0.000 0.443 364 H N -1.372 117.681 119.070 -0.029 0.000 2.865 364 H HA 0.339 4.895 4.556 0.001 0.000 0.362 364 H C -2.385 172.901 175.328 -0.071 0.000 1.114 364 H CA -2.283 53.740 56.048 -0.042 0.000 1.208 364 H CB 1.450 31.193 29.762 -0.033 0.000 1.727 364 H HN -0.231 nan 8.280 nan 0.000 0.534 365 P HA 0.031 nan 4.420 nan 0.000 0.267 365 P C -0.636 176.602 177.300 -0.103 0.000 1.205 365 P CA 0.182 63.252 63.100 -0.048 0.000 0.765 365 P CB 0.671 32.331 31.700 -0.066 0.000 0.828 366 I N 1.912 122.369 120.570 -0.189 0.000 2.509 366 I HA 0.361 4.531 4.170 0.001 0.000 0.293 366 I C 0.342 176.305 176.117 -0.257 0.000 1.020 366 I CA -1.313 59.829 61.300 -0.264 0.000 1.088 366 I CB 1.774 39.480 38.000 -0.489 0.000 1.267 366 I HN 0.312 nan 8.210 nan 0.000 0.430 367 A N 8.548 131.250 122.820 -0.197 0.000 2.515 367 A HA 0.477 4.797 4.320 0.001 0.000 0.263 367 A C 0.088 177.584 177.584 -0.147 0.000 1.096 367 A CA 0.176 52.122 52.037 -0.150 0.000 0.769 367 A CB -0.146 18.785 19.000 -0.113 0.000 1.040 367 A HN 0.777 nan 8.150 nan 0.000 0.505 368 M N 1.213 120.765 119.600 -0.080 0.000 2.721 368 M HA 0.871 5.351 4.480 0.001 0.000 0.271 368 M C -1.696 174.605 176.300 0.002 0.000 1.259 368 M CA -0.809 54.440 55.300 -0.085 0.000 0.835 368 M CB 2.141 34.586 32.600 -0.257 0.000 1.689 368 M HN 0.437 nan 8.290 nan 0.000 0.470 369 D N -0.247 120.132 120.400 -0.035 0.000 2.615 369 D HA 0.402 5.043 4.640 0.001 0.000 0.267 369 D C -1.735 174.543 176.300 -0.036 0.000 1.236 369 D CA 0.014 53.996 54.000 -0.029 0.000 0.839 369 D CB 2.071 42.871 40.800 -0.001 0.000 1.380 369 D HN 0.716 nan 8.370 nan 0.000 0.433 370 D N -0.027 120.353 120.400 -0.033 0.000 2.548 370 D HA 0.377 5.017 4.640 0.001 0.000 0.231 370 D C 1.406 177.714 176.300 0.013 0.000 1.142 370 D CA 2.051 56.046 54.000 -0.009 0.000 0.866 370 D CB 0.512 41.306 40.800 -0.010 0.000 1.190 370 D HN 0.703 nan 8.370 nan 0.000 0.469 371 G N 0.721 109.543 108.800 0.037 0.000 2.179 371 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 371 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 371 G C 0.276 175.210 174.900 0.057 0.000 0.977 371 G CA 0.252 45.379 45.100 0.044 0.000 0.641 371 G HN 0.526 nan 8.290 nan 0.000 0.533 372 L N 1.633 122.898 121.223 0.070 0.000 2.455 372 L HA 0.613 4.953 4.340 0.001 0.000 0.272 372 L C 0.802 177.772 176.870 0.167 0.000 1.174 372 L CA -0.156 54.749 54.840 0.108 0.000 0.869 372 L CB 0.337 42.465 42.059 0.114 0.000 1.130 372 L HN 0.279 nan 8.230 nan 0.000 0.474 373 R N 4.956 125.528 120.500 0.120 0.000 2.428 373 R HA 0.644 4.984 4.340 0.001 0.000 0.294 373 R C -0.983 175.373 176.300 0.094 0.000 1.000 373 R CA -0.393 55.727 56.100 0.033 0.000 0.960 373 R CB 1.207 31.492 30.300 -0.026 0.000 1.076 373 R HN 0.693 nan 8.270 nan 0.000 0.475 374 F N -0.858 119.057 119.950 -0.058 0.000 2.726 374 F HA 0.874 5.402 4.527 0.001 0.000 0.324 374 F C -1.348 174.402 175.800 -0.084 0.000 1.140 374 F CA -1.398 56.466 58.000 -0.227 0.000 0.964 374 F CB 1.213 39.744 39.000 -0.782 0.000 1.399 374 F HN 0.489 nan 8.300 nan 0.000 0.491 375 A N 0.936 123.863 122.820 0.180 0.000 2.413 375 A HA 0.826 5.147 4.320 0.001 0.000 0.307 375 A C -1.399 176.278 177.584 0.156 0.000 1.087 375 A CA -0.877 51.221 52.037 0.101 0.000 0.750 375 A CB 1.285 20.324 19.000 0.064 0.000 1.296 375 A HN 0.759 nan 8.150 nan 0.000 0.423 376 I N 1.554 122.139 120.570 0.025 0.000 2.354 376 I HA 0.435 4.605 4.170 0.001 0.000 0.292 376 I C 0.110 176.158 176.117 -0.114 0.000 0.989 376 I CA -0.315 60.898 61.300 -0.145 0.000 1.188 376 I CB 1.529 39.429 38.000 -0.166 0.000 1.342 376 I HN 0.725 nan 8.210 nan 0.000 0.457 377 R N 4.742 125.158 120.500 -0.139 0.000 2.892 377 R HA 0.655 4.996 4.340 0.001 0.000 0.265 377 R C -1.009 175.242 176.300 -0.082 0.000 1.025 377 R CA -0.962 55.081 56.100 -0.095 0.000 0.982 377 R CB 2.104 32.349 30.300 -0.092 0.000 1.185 377 R HN 0.488 nan 8.270 nan 0.000 0.484 378 E N 0.483 120.655 120.200 -0.046 0.000 2.502 378 E HA 0.226 4.576 4.350 0.001 0.000 0.261 378 E C -0.647 175.945 176.600 -0.013 0.000 0.974 378 E CA -0.342 56.047 56.400 -0.017 0.000 0.795 378 E CB 1.756 31.467 29.700 0.018 0.000 1.385 378 E HN 0.915 nan 8.360 nan 0.000 0.400 379 G N 1.939 110.731 108.800 -0.014 0.000 2.314 379 G HA2 -0.240 3.720 3.960 0.001 0.000 0.292 379 G HA3 -0.240 3.720 3.960 0.001 0.000 0.292 379 G C 0.901 175.788 174.900 -0.021 0.000 1.059 379 G CA 0.497 45.592 45.100 -0.008 0.000 0.982 379 G HN 1.109 nan 8.290 nan 0.000 0.505 380 G N -0.993 107.782 108.800 -0.041 0.000 2.267 380 G HA2 -0.319 3.642 3.960 0.001 0.000 0.257 380 G HA3 -0.319 3.642 3.960 0.001 0.000 0.257 380 G C 0.683 175.527 174.900 -0.094 0.000 0.998 380 G CA 1.239 46.294 45.100 -0.074 0.000 0.620 380 G HN 1.350 nan 8.290 nan 0.000 0.529 381 R N 1.516 121.979 120.500 -0.062 0.000 2.297 381 R HA 0.469 4.809 4.340 0.001 0.000 0.308 381 R C -0.534 175.726 176.300 -0.065 0.000 1.029 381 R CA 0.060 56.128 56.100 -0.054 0.000 0.929 381 R CB 0.325 30.614 30.300 -0.019 0.000 1.046 381 R HN 0.114 nan 8.270 nan 0.000 0.461 382 T N 4.417 118.927 114.554 -0.073 0.000 2.752 382 T HA 0.095 4.445 4.350 0.001 0.000 0.295 382 T C 1.160 175.831 174.700 -0.048 0.000 0.923 382 T CA -0.324 61.734 62.100 -0.069 0.000 1.112 382 T CB 0.828 69.655 68.868 -0.068 0.000 0.884 382 T HN 0.587 nan 8.240 nan 0.000 0.525 383 V N 0.978 120.865 119.914 -0.045 0.000 3.528 383 V HA 0.668 4.788 4.120 0.001 0.000 0.294 383 V C 0.658 176.724 176.094 -0.046 0.000 1.404 383 V CA 0.291 62.566 62.300 -0.043 0.000 1.065 383 V CB -0.084 31.730 31.823 -0.016 0.000 0.904 383 V HN 0.857 nan 8.190 nan 0.000 0.435 384 G N -0.724 108.054 108.800 -0.037 0.000 2.677 384 G HA2 0.798 4.758 3.960 0.001 0.000 0.291 384 G HA3 0.798 4.758 3.960 0.001 0.000 0.291 384 G C -1.508 173.381 174.900 -0.017 0.000 1.435 384 G CA -0.240 44.843 45.100 -0.028 0.000 0.826 384 G HN 1.053 nan 8.290 nan 0.000 0.491 385 A N -0.644 122.169 122.820 -0.012 0.000 2.427 385 A HA 0.977 5.297 4.320 0.001 0.000 0.298 385 A C 0.009 177.476 177.584 -0.196 0.000 1.036 385 A CA 0.130 52.113 52.037 -0.090 0.000 0.701 385 A CB 1.744 20.745 19.000 0.003 0.000 1.250 385 A HN 2.082 nan 8.150 nan 0.000 0.412 386 G N -0.712 107.712 108.800 -0.627 0.000 2.766 386 G HA2 0.731 4.692 3.960 0.001 0.000 0.288 386 G HA3 0.731 4.692 3.960 0.001 0.000 0.288 386 G C -1.649 172.757 174.900 -0.823 0.000 1.408 386 G CA -0.294 44.382 45.100 -0.707 0.000 0.852 386 G HN 1.779 nan 8.290 nan 0.000 0.487 387 V N -0.160 119.589 119.914 -0.274 0.000 2.760 387 V HA 0.568 4.689 4.120 0.001 0.000 0.309 387 V C -0.624 175.651 176.094 0.301 0.000 1.077 387 V CA -0.696 61.603 62.300 -0.002 0.000 0.910 387 V CB 1.932 33.763 31.823 0.013 0.000 1.008 387 V HN 0.664 nan 8.190 nan 0.000 0.424 388 V N 7.735 127.855 119.914 0.343 0.000 2.403 388 V HA 0.276 4.396 4.120 0.001 0.000 0.265 388 V C 1.347 177.554 176.094 0.188 0.000 1.034 388 V CA 1.004 63.475 62.300 0.285 0.000 1.036 388 V CB 0.385 32.222 31.823 0.024 0.000 1.032 388 V HN 1.141 nan 8.190 nan 0.000 0.478 389 A N 5.314 128.266 122.820 0.220 0.000 1.878 389 A HA 0.110 4.430 4.320 0.001 0.000 0.213 389 A C 1.151 178.795 177.584 0.099 0.000 1.192 389 A CA 0.801 52.923 52.037 0.143 0.000 0.619 389 A CB 0.162 19.252 19.000 0.150 0.000 0.837 389 A HN 0.632 nan 8.150 nan 0.000 0.446 390 K N -0.109 120.360 120.400 0.115 0.000 2.565 390 K HA 0.502 4.822 4.320 0.001 0.000 0.249 390 K C -1.774 174.860 176.600 0.057 0.000 0.958 390 K CA -0.505 55.818 56.287 0.060 0.000 0.806 390 K CB 2.108 34.641 32.500 0.054 0.000 1.194 390 K HN 0.010 nan 8.250 nan 0.000 0.434 391 V N 6.586 126.481 119.914 -0.032 0.000 2.508 391 V HA 0.107 4.227 4.120 0.001 0.000 0.281 391 V C 1.081 177.109 176.094 -0.109 0.000 1.041 391 V CA 0.031 62.258 62.300 -0.122 0.000 1.016 391 V CB 1.029 32.629 31.823 -0.372 0.000 0.984 391 V HN 0.809 nan 8.190 nan 0.000 0.478 392 L N 3.544 124.735 121.223 -0.055 0.000 2.347 392 L HA 0.432 4.772 4.340 0.001 0.000 0.196 392 L C 1.207 178.065 176.870 -0.019 0.000 1.072 392 L CA 1.036 55.859 54.840 -0.029 0.000 0.817 392 L CB -0.184 41.873 42.059 -0.003 0.000 1.029 392 L HN 0.789 nan 8.230 nan 0.000 0.478 393 S N 0.000 115.709 115.700 0.015 0.000 2.498 393 S HA 0.000 4.470 4.470 0.001 0.000 0.327 393 S CA 0.000 58.252 58.200 0.087 0.000 1.107 393 S CB 0.000 nan 63.200 nan 0.000 0.593 393 S HN 0.000 nan 8.310 nan 0.000 0.517