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 2xkv_1_A DATA FIRST_RESID 4 DATA SEQUENCE QLSARLQEAI GRLRGRGRIT EEDLKATLRE IRRALMDADV NLEVARDFVE DATA SEQUENCE RVREEALGKQ VLESLTPAEV ILATVYEALK EALGGEARLP VLKDRNLWFL DATA SEQUENCE VGLQGSGKTT TAAKLALYYK GKGRRPLLVA ADTQRPAARE QLRLLGEKVG DATA SEQUENCE VPVLEVMDGE SPESIRRRVE EKARLEARDL ILVDTAGRLQ IDEPLMGELA DATA SEQUENCE RLKEVLGPDE VLLVLDAMTG QEALSVARAF DEKVGVTGLV LTKLDGDARG DATA SEQUENCE GAALSARHVT GKPIYFAGVS EKPEGLEPFY PERLAGRILG M 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.001 176.000 0.001 0.000 1.003 4 Q CA 0.000 55.799 55.803 -0.006 0.000 1.022 4 Q CB 0.000 28.733 28.738 -0.009 0.000 1.108 5 L N 1.596 122.818 121.223 -0.002 0.000 2.456 5 L HA 0.372 4.712 4.340 -0.000 0.000 0.257 5 L C 1.173 178.048 176.870 0.008 0.000 1.162 5 L CA -0.114 54.730 54.840 0.006 0.000 0.808 5 L CB 0.812 42.873 42.059 0.002 0.000 1.136 5 L HN 0.061 nan 8.230 nan 0.000 0.466 6 S N 0.279 115.987 115.700 0.012 0.000 2.641 6 S HA 0.309 4.779 4.470 -0.000 0.000 0.261 6 S C 0.964 175.569 174.600 0.008 0.000 1.257 6 S CA -0.150 58.056 58.200 0.010 0.000 0.983 6 S CB 1.141 64.348 63.200 0.012 0.000 0.990 6 S HN 0.671 nan 8.310 nan 0.000 0.572 7 A N 0.520 123.344 122.820 0.007 0.000 1.898 7 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 7 A C 2.352 179.940 177.584 0.007 0.000 1.181 7 A CA 1.168 53.208 52.037 0.005 0.000 0.620 7 A CB -0.714 18.289 19.000 0.004 0.000 0.819 7 A HN 0.835 nan 8.150 nan 0.000 0.442 8 R N -1.097 119.408 120.500 0.009 0.000 2.148 8 R HA 0.146 4.486 4.340 -0.000 0.000 0.223 8 R C 1.193 177.501 176.300 0.013 0.000 1.088 8 R CA 0.773 56.879 56.100 0.011 0.000 0.985 8 R CB -0.177 30.131 30.300 0.012 0.000 0.880 8 R HN 0.482 nan 8.270 nan 0.000 0.451 9 L N -0.104 121.128 121.223 0.015 0.000 2.628 9 L HA 0.090 4.430 4.340 -0.000 0.000 0.229 9 L C 1.929 178.805 176.870 0.011 0.000 1.137 9 L CA 0.222 55.073 54.840 0.018 0.000 0.909 9 L CB 0.242 42.317 42.059 0.026 0.000 1.137 9 L HN 0.156 nan 8.230 nan 0.000 0.470 10 Q N -0.440 119.364 119.800 0.007 0.000 2.391 10 Q HA -0.106 4.234 4.340 -0.000 0.000 0.211 10 Q C 1.681 177.681 176.000 0.001 0.000 0.908 10 Q CA 0.535 56.339 55.803 0.002 0.000 0.920 10 Q CB 0.640 29.378 28.738 0.001 0.000 1.056 10 Q HN 0.289 nan 8.270 nan 0.000 0.523 11 E N -0.713 119.489 120.200 0.003 0.000 2.340 11 E HA 0.149 4.499 4.350 -0.000 0.000 0.198 11 E C 1.393 177.995 176.600 0.004 0.000 0.961 11 E CA 0.826 57.227 56.400 0.003 0.000 0.905 11 E CB 0.179 29.881 29.700 0.003 0.000 0.884 11 E HN 0.328 nan 8.360 nan 0.000 0.491 12 A N 0.749 123.573 122.820 0.007 0.000 1.929 12 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 12 A C 1.745 179.333 177.584 0.007 0.000 1.176 12 A CA 1.093 53.135 52.037 0.008 0.000 0.628 12 A CB -0.244 18.764 19.000 0.014 0.000 0.816 12 A HN 0.293 nan 8.150 nan 0.000 0.444 13 I N -0.936 119.637 120.570 0.005 0.000 3.462 13 I HA 0.044 4.214 4.170 -0.000 0.000 0.290 13 I C 2.353 178.468 176.117 -0.003 0.000 1.236 13 I CA 1.144 62.445 61.300 0.002 0.000 1.418 13 I CB -1.521 36.480 38.000 0.001 0.000 1.102 13 I HN 0.311 nan 8.210 nan 0.000 0.441 14 G N 1.976 110.775 108.800 -0.002 0.000 2.511 14 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 14 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 14 G C 1.700 176.598 174.900 -0.004 0.000 1.133 14 G CA 0.221 45.318 45.100 -0.004 0.000 0.792 14 G HN 0.472 nan 8.290 nan 0.000 0.539 15 R N -0.152 120.347 120.500 -0.002 0.000 2.240 15 R HA 0.311 4.651 4.340 -0.000 0.000 0.203 15 R C 1.676 177.975 176.300 -0.002 0.000 1.011 15 R CA 0.305 56.404 56.100 -0.002 0.000 1.007 15 R CB -0.402 29.898 30.300 -0.000 0.000 0.911 15 R HN 0.301 nan 8.270 nan 0.000 0.468 16 L N 0.811 122.032 121.223 -0.003 0.000 2.599 16 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 16 L C 0.508 177.375 176.870 -0.005 0.000 1.141 16 L CA 0.069 54.907 54.840 -0.004 0.000 0.877 16 L CB -0.058 41.999 42.059 -0.003 0.000 1.009 16 L HN 0.065 nan 8.230 nan 0.000 0.447 17 R N 0.623 121.120 120.500 -0.006 0.000 2.216 17 R HA 0.353 4.693 4.340 -0.000 0.000 0.332 17 R C 0.881 177.177 176.300 -0.006 0.000 1.056 17 R CA 0.467 56.563 56.100 -0.007 0.000 0.901 17 R CB 0.673 30.968 30.300 -0.008 0.000 1.039 17 R HN 0.212 nan 8.270 nan 0.000 0.456 18 G N 2.473 111.270 108.800 -0.006 0.000 2.137 18 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 18 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 18 G C 0.819 175.717 174.900 -0.004 0.000 1.002 18 G CA -0.272 44.825 45.100 -0.005 0.000 0.702 18 G HN 0.519 nan 8.290 nan 0.000 0.515 19 R N -0.316 120.182 120.500 -0.004 0.000 2.142 19 R HA 0.493 4.833 4.340 -0.000 0.000 0.204 19 R C 1.622 177.920 176.300 -0.004 0.000 1.059 19 R CA 1.786 57.884 56.100 -0.004 0.000 1.055 19 R CB -0.188 30.110 30.300 -0.003 0.000 0.976 19 R HN 1.543 nan 8.270 nan 0.000 0.483 20 G N 0.685 109.482 108.800 -0.004 0.000 2.225 20 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.203 20 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.203 20 G C -1.285 173.613 174.900 -0.004 0.000 1.335 20 G CA -0.863 44.235 45.100 -0.004 0.000 1.183 20 G HN 0.096 nan 8.290 nan 0.000 0.488 21 R N 0.483 120.981 120.500 -0.004 0.000 2.357 21 R HA 0.589 4.929 4.340 -0.000 0.000 0.296 21 R C 0.677 176.974 176.300 -0.004 0.000 1.052 21 R CA -0.069 56.029 56.100 -0.004 0.000 0.988 21 R CB 0.888 31.186 30.300 -0.004 0.000 1.025 21 R HN 0.673 nan 8.270 nan 0.000 0.469 22 I N -1.537 119.030 120.570 -0.004 0.000 2.918 22 I HA 0.520 4.690 4.170 -0.000 0.000 0.316 22 I C 0.548 176.662 176.117 -0.004 0.000 1.001 22 I CA -0.786 60.512 61.300 -0.004 0.000 1.142 22 I CB 1.739 39.737 38.000 -0.004 0.000 1.356 22 I HN 0.549 nan 8.210 nan 0.000 0.524 23 T N -1.661 112.891 114.554 -0.004 0.000 2.864 23 T HA 0.299 4.649 4.350 -0.000 0.000 0.276 23 T C 0.674 175.371 174.700 -0.005 0.000 1.006 23 T CA -0.453 61.645 62.100 -0.004 0.000 0.970 23 T CB 1.302 70.168 68.868 -0.003 0.000 1.420 23 T HN 0.762 nan 8.240 nan 0.000 0.601 24 E N -0.149 120.049 120.200 -0.005 0.000 2.299 24 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 24 E C 1.676 178.273 176.600 -0.005 0.000 0.998 24 E CA 0.471 56.868 56.400 -0.005 0.000 0.851 24 E CB 0.109 29.806 29.700 -0.005 0.000 0.795 24 E HN 0.763 nan 8.360 nan 0.000 0.492 25 E N 0.163 120.361 120.200 -0.003 0.000 2.371 25 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 25 E C 1.242 177.841 176.600 -0.002 0.000 1.012 25 E CA 0.352 56.751 56.400 -0.002 0.000 0.860 25 E CB 0.293 29.993 29.700 -0.002 0.000 0.811 25 E HN 0.206 nan 8.360 nan 0.000 0.502 26 D N 0.232 120.631 120.400 -0.003 0.000 2.249 26 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 26 D C 1.845 178.144 176.300 -0.003 0.000 0.962 26 D CA 0.314 54.313 54.000 -0.002 0.000 0.860 26 D CB 0.333 41.131 40.800 -0.003 0.000 0.955 26 D HN 0.189 nan 8.370 nan 0.000 0.505 27 L N 1.418 122.638 121.223 -0.005 0.000 2.109 27 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 27 L C 2.074 178.941 176.870 -0.007 0.000 1.086 27 L CA 1.558 56.393 54.840 -0.007 0.000 0.760 27 L CB -0.204 41.848 42.059 -0.011 0.000 0.910 27 L HN -0.232 nan 8.230 nan 0.000 0.437 28 K N -1.050 119.348 120.400 -0.005 0.000 2.296 28 K HA -0.001 4.319 4.320 -0.000 0.000 0.200 28 K C 1.823 178.424 176.600 0.002 0.000 1.048 28 K CA 0.842 57.128 56.287 -0.002 0.000 0.966 28 K CB 0.039 32.538 32.500 -0.002 0.000 0.754 28 K HN 0.404 nan 8.250 nan 0.000 0.466 29 A N -0.022 122.799 122.820 0.002 0.000 2.021 29 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 29 A C 1.845 179.432 177.584 0.006 0.000 1.163 29 A CA 1.295 53.334 52.037 0.004 0.000 0.676 29 A CB -0.198 18.804 19.000 0.003 0.000 0.818 29 A HN 0.280 nan 8.150 nan 0.000 0.453 30 T N -0.077 114.481 114.554 0.006 0.000 2.976 30 T HA 0.120 4.470 4.350 -0.000 0.000 0.257 30 T C 1.649 176.358 174.700 0.015 0.000 1.051 30 T CA 0.691 62.796 62.100 0.009 0.000 1.141 30 T CB -0.197 68.674 68.868 0.006 0.000 0.881 30 T HN 0.297 nan 8.240 nan 0.000 0.461 31 L N 0.658 121.887 121.223 0.010 0.000 2.376 31 L HA 0.138 4.478 4.340 -0.000 0.000 0.219 31 L C 2.686 179.571 176.870 0.025 0.000 1.133 31 L CA 0.749 55.598 54.840 0.015 0.000 0.816 31 L CB -0.268 41.789 42.059 -0.003 0.000 0.933 31 L HN 0.115 nan 8.230 nan 0.000 0.449 32 R N -0.264 120.248 120.500 0.020 0.000 2.200 32 R HA -0.077 4.263 4.340 -0.000 0.000 0.208 32 R C 1.947 178.262 176.300 0.024 0.000 1.033 32 R CA 0.593 56.705 56.100 0.021 0.000 1.000 32 R CB 0.258 30.566 30.300 0.014 0.000 0.906 32 R HN 0.238 nan 8.270 nan 0.000 0.462 33 E N 0.318 120.533 120.200 0.024 0.000 2.230 33 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 33 E C 1.788 178.408 176.600 0.035 0.000 0.987 33 E CA 0.738 57.153 56.400 0.025 0.000 0.841 33 E CB 0.224 29.937 29.700 0.020 0.000 0.783 33 E HN 0.428 nan 8.360 nan 0.000 0.481 34 I N 0.240 120.840 120.570 0.049 0.000 2.716 34 I HA -0.105 4.065 4.170 -0.000 0.000 0.259 34 I C 2.630 178.795 176.117 0.080 0.000 1.172 34 I CA 0.421 61.766 61.300 0.074 0.000 1.478 34 I CB -0.130 37.933 38.000 0.105 0.000 1.104 34 I HN -0.062 nan 8.210 nan 0.000 0.439 35 R N 1.440 121.982 120.500 0.069 0.000 2.092 35 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 35 R C 2.201 178.521 176.300 0.033 0.000 1.119 35 R CA 1.199 57.336 56.100 0.061 0.000 0.970 35 R CB 0.064 30.394 30.300 0.051 0.000 0.864 35 R HN 0.272 nan 8.270 nan 0.000 0.440 36 R N -0.695 119.821 120.500 0.026 0.000 2.276 36 R HA 0.128 4.468 4.340 -0.000 0.000 0.196 36 R C 1.816 178.123 176.300 0.012 0.000 0.961 36 R CA 0.608 56.717 56.100 0.016 0.000 1.024 36 R CB 0.305 30.614 30.300 0.014 0.000 0.940 36 R HN 0.163 nan 8.270 nan 0.000 0.480 37 A N 0.862 123.692 122.820 0.017 0.000 2.072 37 A HA 0.032 4.352 4.320 -0.000 0.000 0.216 37 A C 1.951 179.535 177.584 0.001 0.000 1.156 37 A CA 0.607 52.652 52.037 0.013 0.000 0.701 37 A CB -0.088 18.926 19.000 0.023 0.000 0.816 37 A HN 0.144 nan 8.150 nan 0.000 0.458 38 L N -1.333 119.887 121.223 -0.006 0.000 2.209 38 L HA 0.008 4.348 4.340 -0.000 0.000 0.207 38 L C 2.574 179.425 176.870 -0.031 0.000 1.094 38 L CA 0.697 55.516 54.840 -0.035 0.000 0.790 38 L CB -0.300 41.722 42.059 -0.061 0.000 0.932 38 L HN 0.363 nan 8.230 nan 0.000 0.447 39 M N -0.722 118.868 119.600 -0.016 0.000 2.374 39 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 39 M C 1.008 177.302 176.300 -0.010 0.000 1.067 39 M CA 1.232 56.524 55.300 -0.013 0.000 1.103 39 M CB -0.179 32.418 32.600 -0.005 0.000 1.402 39 M HN 0.194 nan 8.290 nan 0.000 0.444 40 D N 0.014 120.409 120.400 -0.008 0.000 2.354 40 D HA 0.104 4.744 4.640 -0.000 0.000 0.209 40 D C 1.137 177.432 176.300 -0.008 0.000 1.015 40 D CA 0.477 54.474 54.000 -0.005 0.000 0.867 40 D CB 0.409 41.208 40.800 -0.001 0.000 0.933 40 D HN 0.257 nan 8.370 nan 0.000 0.520 41 A N 0.709 123.520 122.820 -0.014 0.000 2.460 41 A HA 0.096 4.416 4.320 -0.000 0.000 0.258 41 A C -0.105 177.465 177.584 -0.023 0.000 1.300 41 A CA -0.168 51.858 52.037 -0.018 0.000 0.913 41 A CB 0.095 19.081 19.000 -0.023 0.000 1.031 41 A HN -0.016 nan 8.150 nan 0.000 0.512 42 D N -0.217 120.170 120.400 -0.021 0.000 2.760 42 D HA -0.116 4.524 4.640 -0.000 0.000 0.244 42 D C -0.567 175.713 176.300 -0.033 0.000 1.123 42 D CA 0.935 54.922 54.000 -0.022 0.000 0.719 42 D CB -1.436 39.354 40.800 -0.017 0.000 1.045 42 D HN 0.235 nan 8.370 nan 0.000 0.426 43 V N 0.699 120.589 119.914 -0.040 0.000 2.823 43 V HA 0.324 4.444 4.120 -0.000 0.000 0.312 43 V C 0.742 176.813 176.094 -0.039 0.000 1.072 43 V CA -0.975 61.292 62.300 -0.055 0.000 0.937 43 V CB 2.317 34.086 31.823 -0.090 0.000 1.013 43 V HN 0.222 nan 8.190 nan 0.000 0.430 44 N N 1.506 120.185 118.700 -0.035 0.000 2.482 44 N HA 0.174 4.914 4.740 -0.000 0.000 0.260 44 N C 1.154 176.655 175.510 -0.016 0.000 1.236 44 N CA -0.308 52.731 53.050 -0.018 0.000 0.938 44 N CB 1.470 39.952 38.487 -0.008 0.000 1.128 44 N HN 0.774 nan 8.380 nan 0.000 0.448 45 L N 0.345 121.566 121.223 -0.003 0.000 2.291 45 L HA 0.068 4.408 4.340 -0.000 0.000 0.214 45 L C 1.503 178.380 176.870 0.011 0.000 1.120 45 L CA 1.045 55.887 54.840 0.004 0.000 0.799 45 L CB -0.220 41.843 42.059 0.008 0.000 0.925 45 L HN 0.539 nan 8.230 nan 0.000 0.446 46 E N 0.608 120.818 120.200 0.016 0.000 2.230 46 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 46 E C 2.229 178.850 176.600 0.036 0.000 0.987 46 E CA 0.832 57.252 56.400 0.033 0.000 0.841 46 E CB 0.210 29.935 29.700 0.042 0.000 0.783 46 E HN 0.435 nan 8.360 nan 0.000 0.481 47 V N 0.805 120.719 119.914 0.001 0.000 2.725 47 V HA -0.029 4.091 4.120 -0.000 0.000 0.247 47 V C 2.153 178.191 176.094 -0.093 0.000 1.058 47 V CA 1.387 63.639 62.300 -0.080 0.000 1.080 47 V CB -0.075 31.685 31.823 -0.104 0.000 0.713 47 V HN 0.231 nan 8.190 nan 0.000 0.465 48 A N 0.116 122.915 122.820 -0.035 0.000 2.066 48 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 48 A C 2.351 179.976 177.584 0.068 0.000 1.157 48 A CA 1.428 53.474 52.037 0.014 0.000 0.670 48 A CB -0.398 18.604 19.000 0.002 0.000 0.804 48 A HN 0.449 nan 8.150 nan 0.000 0.453 49 R N -0.598 119.929 120.500 0.045 0.000 2.161 49 R HA -0.046 4.294 4.340 -0.000 0.000 0.213 49 R C 0.553 176.888 176.300 0.057 0.000 1.055 49 R CA 1.201 57.330 56.100 0.048 0.000 0.996 49 R CB -0.012 30.310 30.300 0.037 0.000 0.901 49 R HN 0.334 nan 8.270 nan 0.000 0.456 50 D N -0.659 119.779 120.400 0.063 0.000 2.347 50 D HA -0.061 4.579 4.640 -0.000 0.000 0.213 50 D C 0.917 177.269 176.300 0.087 0.000 0.985 50 D CA 0.464 54.518 54.000 0.090 0.000 0.879 50 D CB 0.105 41.016 40.800 0.185 0.000 0.919 50 D HN 0.153 nan 8.370 nan 0.000 0.526 51 F N 0.797 120.686 119.950 -0.102 0.000 2.270 51 F HA -0.046 4.481 4.527 -0.000 0.000 0.295 51 F C 2.010 177.788 175.800 -0.037 0.000 1.087 51 F CA 0.592 58.537 58.000 -0.093 0.000 1.365 51 F CB -0.080 38.849 39.000 -0.118 0.000 1.056 51 F HN -0.084 nan 8.300 nan 0.000 0.506 52 V N -2.366 117.540 119.914 -0.014 0.000 3.041 52 V HA -0.065 4.055 4.120 -0.000 0.000 0.260 52 V C 1.504 177.543 176.094 -0.091 0.000 1.105 52 V CA 1.693 63.942 62.300 -0.084 0.000 1.125 52 V CB -0.813 31.015 31.823 0.008 0.000 0.730 52 V HN 0.359 nan 8.190 nan 0.000 0.479 53 E N 0.239 120.404 120.200 -0.059 0.000 2.442 53 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 53 E C 2.187 178.750 176.600 -0.061 0.000 1.030 53 E CA 0.174 56.550 56.400 -0.040 0.000 0.869 53 E CB 0.097 29.795 29.700 -0.002 0.000 0.857 53 E HN 0.600 nan 8.360 nan 0.000 0.505 54 R N 0.556 120.989 120.500 -0.111 0.000 2.112 54 R HA -0.002 4.338 4.340 -0.000 0.000 0.216 54 R C 1.893 178.092 176.300 -0.169 0.000 1.080 54 R CA 0.546 56.574 56.100 -0.120 0.000 0.996 54 R CB 0.339 30.564 30.300 -0.125 0.000 0.902 54 R HN -0.002 nan 8.270 nan 0.000 0.449 55 V N 0.849 120.608 119.914 -0.260 0.000 2.871 55 V HA -0.052 4.068 4.120 -0.000 0.000 0.256 55 V C 2.334 178.351 176.094 -0.129 0.000 1.082 55 V CA 1.259 63.420 62.300 -0.232 0.000 1.105 55 V CB -0.523 31.102 31.823 -0.331 0.000 0.713 55 V HN 0.309 nan 8.190 nan 0.000 0.473 56 R N 0.219 120.656 120.500 -0.104 0.000 2.115 56 R HA -0.106 4.234 4.340 -0.000 0.000 0.226 56 R C 2.136 178.407 176.300 -0.048 0.000 1.100 56 R CA 1.150 57.212 56.100 -0.063 0.000 0.980 56 R CB 0.079 30.350 30.300 -0.048 0.000 0.875 56 R HN 0.452 nan 8.270 nan 0.000 0.445 57 E N 0.179 120.349 120.200 -0.050 0.000 2.299 57 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 57 E C 1.303 177.882 176.600 -0.034 0.000 0.998 57 E CA 0.789 57.168 56.400 -0.035 0.000 0.851 57 E CB 0.262 29.944 29.700 -0.029 0.000 0.795 57 E HN 0.497 nan 8.360 nan 0.000 0.492 58 E N 0.393 120.565 120.200 -0.047 0.000 2.385 58 E HA 0.080 4.430 4.350 -0.000 0.000 0.194 58 E C 1.763 178.343 176.600 -0.033 0.000 1.013 58 E CA 0.439 56.816 56.400 -0.040 0.000 0.866 58 E CB 0.269 29.938 29.700 -0.052 0.000 0.832 58 E HN 0.116 nan 8.360 nan 0.000 0.500 59 A N 0.743 123.541 122.820 -0.037 0.000 1.975 59 A HA 0.006 4.326 4.320 -0.000 0.000 0.215 59 A C 1.982 179.554 177.584 -0.020 0.000 1.170 59 A CA 0.507 52.527 52.037 -0.028 0.000 0.656 59 A CB -0.160 18.821 19.000 -0.032 0.000 0.821 59 A HN 0.118 nan 8.150 nan 0.000 0.449 60 L N -0.995 120.216 121.223 -0.020 0.000 2.418 60 L HA 0.065 4.405 4.340 -0.000 0.000 0.218 60 L C 2.480 179.343 176.870 -0.012 0.000 1.125 60 L CA 0.642 55.473 54.840 -0.015 0.000 0.835 60 L CB -0.186 41.864 42.059 -0.015 0.000 0.953 60 L HN 0.464 nan 8.230 nan 0.000 0.454 61 G N -0.307 108.485 108.800 -0.013 0.000 2.492 61 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.214 61 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.214 61 G C 1.585 176.480 174.900 -0.008 0.000 1.147 61 G CA -0.012 45.082 45.100 -0.010 0.000 0.809 61 G HN 0.218 nan 8.290 nan 0.000 0.533 62 K N -0.005 120.390 120.400 -0.009 0.000 2.393 62 K HA 0.100 4.420 4.320 -0.000 0.000 0.193 62 K C 0.057 176.653 176.600 -0.006 0.000 1.026 62 K CA -0.094 56.189 56.287 -0.006 0.000 1.064 62 K CB 0.316 32.812 32.500 -0.006 0.000 0.833 62 K HN 0.023 nan 8.250 nan 0.000 0.521 63 Q N 0.338 120.134 119.800 -0.007 0.000 2.420 63 Q HA -0.156 4.184 4.340 -0.000 0.000 0.359 63 Q C 0.329 176.325 176.000 -0.006 0.000 1.403 63 Q CA 0.298 56.097 55.803 -0.006 0.000 0.982 63 Q CB -1.640 27.095 28.738 -0.005 0.000 1.137 63 Q HN 0.199 nan 8.270 nan 0.000 0.317 64 V N 2.218 122.127 119.914 -0.008 0.000 3.354 64 V HA -0.035 4.085 4.120 -0.000 0.000 0.258 64 V C 1.776 177.866 176.094 -0.007 0.000 1.159 64 V CA 1.273 63.569 62.300 -0.008 0.000 1.125 64 V CB 0.172 31.989 31.823 -0.009 0.000 0.774 64 V HN 0.615 nan 8.190 nan 0.000 0.464 65 L N -0.530 120.689 121.223 -0.007 0.000 2.179 65 L HA 0.086 4.426 4.340 -0.000 0.000 0.208 65 L C 2.188 179.055 176.870 -0.005 0.000 1.096 65 L CA 1.021 55.858 54.840 -0.006 0.000 0.779 65 L CB -0.439 41.617 42.059 -0.006 0.000 0.922 65 L HN 0.247 nan 8.230 nan 0.000 0.443 66 E N -0.246 119.951 120.200 -0.005 0.000 2.474 66 E HA 0.100 4.450 4.350 -0.000 0.000 0.195 66 E C 0.596 177.193 176.600 -0.004 0.000 1.039 66 E CA 0.021 56.419 56.400 -0.004 0.000 0.881 66 E CB 0.560 30.257 29.700 -0.004 0.000 0.970 66 E HN 0.140 nan 8.360 nan 0.000 0.486 67 S N 0.329 116.027 115.700 -0.005 0.000 2.601 67 S HA 0.237 4.707 4.470 -0.000 0.000 0.271 67 S C 1.350 175.947 174.600 -0.005 0.000 1.305 67 S CA -0.455 57.742 58.200 -0.005 0.000 1.022 67 S CB 0.690 63.886 63.200 -0.005 0.000 0.940 67 S HN 0.081 nan 8.310 nan 0.000 0.525 68 L N 2.202 123.422 121.223 -0.005 0.000 2.131 68 L HA 0.089 4.429 4.340 -0.000 0.000 0.206 68 L C 1.083 177.950 176.870 -0.006 0.000 1.087 68 L CA 0.681 55.518 54.840 -0.005 0.000 0.767 68 L CB -0.459 41.597 42.059 -0.005 0.000 0.917 68 L HN 0.720 nan 8.230 nan 0.000 0.441 69 T N -3.083 111.467 114.554 -0.006 0.000 2.874 69 T HA 0.308 4.658 4.350 -0.000 0.000 0.321 69 T C -1.800 172.896 174.700 -0.007 0.000 1.075 69 T CA -1.770 60.326 62.100 -0.008 0.000 0.966 69 T CB 1.405 70.268 68.868 -0.009 0.000 1.001 69 T HN -0.060 nan 8.240 nan 0.000 0.476 70 P HA 0.107 nan 4.420 nan 0.000 0.224 70 P C 1.504 178.800 177.300 -0.007 0.000 1.157 70 P CA 0.310 63.406 63.100 -0.006 0.000 0.799 70 P CB 0.091 31.787 31.700 -0.005 0.000 0.809 71 A N 0.524 123.339 122.820 -0.008 0.000 2.014 71 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 71 A C 1.956 179.533 177.584 -0.012 0.000 1.163 71 A CA 1.268 53.300 52.037 -0.009 0.000 0.652 71 A CB -0.825 18.169 19.000 -0.010 0.000 0.808 71 A HN 0.079 nan 8.150 nan 0.000 0.449 72 E N -0.846 119.345 120.200 -0.014 0.000 2.442 72 E HA 0.073 4.423 4.350 -0.000 0.000 0.195 72 E C 1.620 178.212 176.600 -0.013 0.000 1.030 72 E CA 0.522 56.910 56.400 -0.019 0.000 0.869 72 E CB 0.197 29.885 29.700 -0.021 0.000 0.857 72 E HN 0.389 nan 8.360 nan 0.000 0.505 73 V N -0.028 119.881 119.914 -0.007 0.000 2.672 73 V HA -0.025 4.095 4.120 -0.000 0.000 0.242 73 V C 1.926 178.021 176.094 0.002 0.000 1.059 73 V CA 0.731 63.029 62.300 -0.003 0.000 1.081 73 V CB -0.160 31.660 31.823 -0.004 0.000 0.752 73 V HN 0.217 nan 8.190 nan 0.000 0.472 74 I N -0.012 120.558 120.570 0.000 0.000 2.315 74 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 74 I C 2.316 178.444 176.117 0.019 0.000 1.117 74 I CA 1.304 62.606 61.300 0.004 0.000 1.404 74 I CB -0.234 37.767 38.000 0.001 0.000 1.071 74 I HN 0.287 nan 8.210 nan 0.000 0.419 75 L N 0.864 122.096 121.223 0.015 0.000 2.217 75 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 75 L C 2.374 179.270 176.870 0.044 0.000 1.107 75 L CA 1.582 56.435 54.840 0.023 0.000 0.783 75 L CB -0.494 41.557 42.059 -0.014 0.000 0.919 75 L HN 0.151 nan 8.230 nan 0.000 0.442 76 A N -2.167 120.673 122.820 0.032 0.000 2.072 76 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 76 A C 2.110 179.753 177.584 0.097 0.000 1.156 76 A CA 1.432 53.505 52.037 0.061 0.000 0.701 76 A CB -0.632 18.383 19.000 0.025 0.000 0.816 76 A HN 0.436 nan 8.150 nan 0.000 0.458 77 T N -0.622 113.969 114.554 0.061 0.000 2.937 77 T HA -0.026 4.324 4.350 -0.000 0.000 0.260 77 T C 1.740 176.470 174.700 0.050 0.000 1.051 77 T CA 1.392 63.515 62.100 0.037 0.000 1.141 77 T CB -0.117 68.748 68.868 -0.005 0.000 0.879 77 T HN 0.135 nan 8.240 nan 0.000 0.459 78 V N 0.262 120.227 119.914 0.086 0.000 2.719 78 V HA -0.044 4.076 4.120 -0.000 0.000 0.252 78 V C 1.957 178.188 176.094 0.228 0.000 1.065 78 V CA 1.010 63.396 62.300 0.142 0.000 1.086 78 V CB -0.684 31.235 31.823 0.160 0.000 0.700 78 V HN 0.442 nan 8.190 nan 0.000 0.467 79 Y N 1.175 121.516 120.300 0.069 0.000 2.337 79 Y HA -0.068 4.482 4.550 -0.000 0.000 0.293 79 Y C 2.395 178.331 175.900 0.060 0.000 1.123 79 Y CA 1.556 59.692 58.100 0.059 0.000 1.201 79 Y CB 0.206 38.686 38.460 0.032 0.000 1.011 79 Y HN 0.335 nan 8.280 nan 0.000 0.545 80 E N -1.136 119.141 120.200 0.128 0.000 2.340 80 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 80 E C 2.045 178.672 176.600 0.044 0.000 0.996 80 E CA 0.514 56.947 56.400 0.055 0.000 0.869 80 E CB 0.075 29.822 29.700 0.078 0.000 0.835 80 E HN 0.441 nan 8.360 nan 0.000 0.493 81 A N 0.745 123.611 122.820 0.077 0.000 2.021 81 A HA -0.023 4.297 4.320 -0.000 0.000 0.216 81 A C 1.983 179.708 177.584 0.235 0.000 1.163 81 A CA 0.431 52.529 52.037 0.102 0.000 0.676 81 A CB -0.071 18.921 19.000 -0.013 0.000 0.818 81 A HN 0.174 nan 8.150 nan 0.000 0.453 82 L N -0.454 120.911 121.223 0.237 0.000 2.270 82 L HA 0.116 4.456 4.340 -0.000 0.000 0.210 82 L C 2.103 178.982 176.870 0.015 0.000 1.104 82 L CA 1.810 56.740 54.840 0.149 0.000 0.804 82 L CB -0.295 41.811 42.059 0.077 0.000 0.937 82 L HN 0.380 nan 8.230 nan 0.000 0.450 83 K N -0.770 119.605 120.400 -0.041 0.000 2.103 83 K HA -0.192 4.128 4.320 -0.000 0.000 0.204 83 K C 1.927 178.524 176.600 -0.005 0.000 1.052 83 K CA 1.283 57.525 56.287 -0.076 0.000 0.945 83 K CB 0.169 32.581 32.500 -0.146 0.000 0.722 83 K HN 0.195 nan 8.250 nan 0.000 0.443 84 E N -0.092 120.122 120.200 0.024 0.000 2.230 84 E HA 0.029 4.379 4.350 -0.000 0.000 0.192 84 E C 1.313 177.944 176.600 0.052 0.000 0.987 84 E CA 0.845 57.267 56.400 0.037 0.000 0.841 84 E CB 0.171 29.896 29.700 0.042 0.000 0.783 84 E HN 0.371 nan 8.360 nan 0.000 0.481 85 A N -0.276 122.591 122.820 0.079 0.000 2.123 85 A HA 0.081 4.401 4.320 -0.000 0.000 0.214 85 A C 1.817 179.423 177.584 0.037 0.000 1.152 85 A CA 0.438 52.526 52.037 0.086 0.000 0.728 85 A CB -0.125 18.961 19.000 0.144 0.000 0.814 85 A HN 0.295 nan 8.150 nan 0.000 0.464 86 L N -2.614 118.632 121.223 0.038 0.000 2.463 86 L HA 0.292 4.632 4.340 -0.000 0.000 0.219 86 L C 1.837 178.732 176.870 0.042 0.000 1.088 86 L CA 0.857 55.734 54.840 0.062 0.000 0.849 86 L CB 0.396 42.558 42.059 0.172 0.000 1.012 86 L HN 0.514 nan 8.230 nan 0.000 0.468 87 G N -2.267 106.551 108.800 0.030 0.000 3.758 87 G HA2 0.201 4.161 3.960 -0.000 0.000 0.206 87 G HA3 0.201 4.161 3.960 -0.000 0.000 0.206 87 G C 0.747 175.656 174.900 0.015 0.000 0.946 87 G CA 0.046 45.145 45.100 -0.001 0.000 0.885 87 G HN 0.342 nan 8.290 nan 0.000 0.392 88 G N 0.001 108.820 108.800 0.031 0.000 4.013 88 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.255 88 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.255 88 G C -0.043 174.877 174.900 0.033 0.000 1.765 88 G CA 0.666 45.780 45.100 0.024 0.000 1.396 88 G HN 0.780 nan 8.290 nan 0.000 0.605 89 E N 0.582 120.806 120.200 0.042 0.000 2.334 89 E HA 0.677 5.027 4.350 -0.000 0.000 0.256 89 E C 0.122 176.759 176.600 0.062 0.000 0.958 89 E CA -0.131 56.304 56.400 0.057 0.000 0.821 89 E CB 1.565 31.297 29.700 0.054 0.000 1.269 89 E HN 1.092 nan 8.360 nan 0.000 0.413 90 A N 1.556 124.418 122.820 0.070 0.000 2.539 90 A HA 0.236 4.556 4.320 -0.000 0.000 0.306 90 A C 0.275 177.874 177.584 0.025 0.000 1.392 90 A CA 0.113 52.163 52.037 0.021 0.000 1.060 90 A CB -0.390 18.605 19.000 -0.008 0.000 1.134 90 A HN 0.369 nan 8.150 nan 0.000 0.542 91 R N 2.902 123.424 120.500 0.036 0.000 2.393 91 R HA 0.645 4.985 4.340 -0.000 0.000 0.310 91 R C -1.089 175.277 176.300 0.110 0.000 0.968 91 R CA -0.476 55.673 56.100 0.082 0.000 0.867 91 R CB 0.715 31.081 30.300 0.111 0.000 1.124 91 R HN 0.698 nan 8.270 nan 0.000 0.450 92 L N 5.408 126.665 121.223 0.058 0.000 2.334 92 L HA 0.547 4.887 4.340 -0.000 0.000 0.275 92 L C -1.877 174.957 176.870 -0.061 0.000 1.036 92 L CA -2.322 52.512 54.840 -0.010 0.000 0.807 92 L CB 1.682 43.785 42.059 0.074 0.000 1.231 92 L HN 0.548 nan 8.230 nan 0.000 0.438 93 P HA 0.059 nan 4.420 nan 0.000 0.269 93 P C -0.925 176.386 177.300 0.018 0.000 1.215 93 P CA -0.408 62.528 63.100 -0.274 0.000 0.780 93 P CB 0.531 32.029 31.700 -0.338 0.000 0.898 94 V N 3.548 123.470 119.914 0.013 0.000 2.439 94 V HA 0.058 4.178 4.120 -0.000 0.000 0.271 94 V C 0.477 176.633 176.094 0.103 0.000 1.040 94 V CA -0.028 62.310 62.300 0.064 0.000 1.002 94 V CB -0.310 31.540 31.823 0.046 0.000 1.000 94 V HN 0.333 nan 8.190 nan 0.000 0.477 95 L N 6.659 127.943 121.223 0.103 0.000 2.278 95 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 95 L C 0.567 177.465 176.870 0.048 0.000 1.072 95 L CA -0.048 54.838 54.840 0.078 0.000 0.819 95 L CB 0.541 42.644 42.059 0.073 0.000 1.176 95 L HN 0.650 nan 8.230 nan 0.000 0.435 96 K N 1.570 121.992 120.400 0.037 0.000 2.642 96 K HA 0.274 4.594 4.320 -0.000 0.000 0.273 96 K C 0.301 176.902 176.600 0.002 0.000 1.029 96 K CA -0.898 55.404 56.287 0.025 0.000 1.071 96 K CB 0.881 33.402 32.500 0.035 0.000 1.451 96 K HN 0.465 nan 8.250 nan 0.000 0.559 97 D N 0.365 120.766 120.400 0.002 0.000 2.213 97 D HA -0.060 4.580 4.640 -0.000 0.000 0.205 97 D C 0.218 176.505 176.300 -0.021 0.000 0.961 97 D CA 0.984 54.978 54.000 -0.009 0.000 0.853 97 D CB 0.450 41.249 40.800 -0.003 0.000 0.967 97 D HN 0.195 nan 8.370 nan 0.000 0.496 98 R N 0.975 121.467 120.500 -0.013 0.000 2.500 98 R HA 0.270 4.610 4.340 -0.000 0.000 0.299 98 R C -1.633 174.663 176.300 -0.006 0.000 1.038 98 R CA -0.436 55.653 56.100 -0.019 0.000 0.903 98 R CB 0.773 31.070 30.300 -0.004 0.000 1.177 98 R HN -0.176 nan 8.270 nan 0.000 0.455 99 N N 3.322 121.994 118.700 -0.046 0.000 2.372 99 N HA 0.396 5.136 4.740 -0.000 0.000 0.291 99 N C -1.405 174.097 175.510 -0.013 0.000 1.024 99 N CA -0.536 52.503 53.050 -0.019 0.000 0.873 99 N CB 2.257 40.650 38.487 -0.157 0.000 1.206 99 N HN 0.351 nan 8.380 nan 0.000 0.486 100 L N 2.798 124.116 121.223 0.160 0.000 2.388 100 L HA 0.515 4.855 4.340 -0.000 0.000 0.267 100 L C -1.419 175.713 176.870 0.436 0.000 0.995 100 L CA -0.624 54.336 54.840 0.200 0.000 0.864 100 L CB 0.496 42.665 42.059 0.183 0.000 1.216 100 L HN 0.493 nan 8.230 nan 0.000 0.430 101 W N 3.552 124.878 121.300 0.042 0.000 2.449 101 W HA 0.458 5.118 4.660 -0.000 0.000 0.331 101 W C -0.527 176.051 176.519 0.099 0.000 1.119 101 W CA -0.871 56.520 57.345 0.076 0.000 1.240 101 W CB 1.077 30.532 29.460 -0.008 0.000 1.251 101 W HN 0.157 nan 8.180 nan 0.000 0.576 102 F N 2.269 122.322 119.950 0.172 0.000 2.520 102 F HA 0.481 5.008 4.527 -0.000 0.000 0.322 102 F C -0.633 175.210 175.800 0.071 0.000 1.103 102 F CA -0.906 57.154 58.000 0.101 0.000 0.926 102 F CB 1.305 40.346 39.000 0.069 0.000 1.154 102 F HN -0.196 nan 8.300 nan 0.000 0.453 103 L N 5.748 127.064 121.223 0.156 0.000 2.337 103 L HA 0.539 4.879 4.340 -0.000 0.000 0.269 103 L C -0.548 176.391 176.870 0.115 0.000 1.018 103 L CA -0.500 54.405 54.840 0.107 0.000 0.876 103 L CB 1.081 43.172 42.059 0.052 0.000 1.236 103 L HN 0.374 nan 8.230 nan 0.000 0.436 104 V N -0.336 119.649 119.914 0.118 0.000 2.994 104 V HA 1.134 5.254 4.120 -0.000 0.000 0.318 104 V C 0.317 176.374 176.094 -0.061 0.000 1.085 104 V CA -0.196 62.162 62.300 0.096 0.000 0.998 104 V CB 1.463 33.408 31.823 0.203 0.000 1.063 104 V HN 0.707 nan 8.190 nan 0.000 0.447 105 G N 0.743 109.482 108.800 -0.101 0.000 2.325 105 G HA2 0.434 4.394 3.960 -0.000 0.000 0.295 105 G HA3 0.434 4.394 3.960 -0.000 0.000 0.295 105 G C -1.516 173.320 174.900 -0.107 0.000 1.274 105 G CA -0.784 44.197 45.100 -0.199 0.000 0.857 105 G HN 0.830 nan 8.290 nan 0.000 0.499 106 L N -0.409 120.760 121.223 -0.089 0.000 2.544 106 L HA 0.546 4.886 4.340 -0.000 0.000 0.256 106 L C 0.320 177.193 176.870 0.005 0.000 1.097 106 L CA -0.901 53.929 54.840 -0.017 0.000 0.812 106 L CB 0.841 42.884 42.059 -0.026 0.000 1.440 106 L HN 0.452 nan 8.230 nan 0.000 0.496 107 Q N 0.284 120.094 119.800 0.017 0.000 2.295 107 Q HA 0.406 4.746 4.340 -0.000 0.000 0.259 107 Q C 0.520 176.524 176.000 0.007 0.000 0.976 107 Q CA 0.640 56.453 55.803 0.017 0.000 0.923 107 Q CB 0.993 29.744 28.738 0.023 0.000 1.185 107 Q HN 0.770 nan 8.270 nan 0.000 0.410 108 G N 1.471 110.274 108.800 0.005 0.000 2.137 108 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.237 108 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.237 108 G C 0.768 175.667 174.900 -0.003 0.000 1.002 108 G CA 0.527 45.628 45.100 0.002 0.000 0.702 108 G HN 0.694 nan 8.290 nan 0.000 0.515 109 S N -0.813 114.882 115.700 -0.008 0.000 2.458 109 S HA 0.451 4.921 4.470 -0.000 0.000 0.223 109 S C 1.804 176.397 174.600 -0.011 0.000 1.019 109 S CA 1.101 59.292 58.200 -0.016 0.000 0.937 109 S CB 0.422 63.603 63.200 -0.033 0.000 0.788 109 S HN 2.347 nan 8.310 nan 0.000 0.511 110 G N 1.574 110.370 108.800 -0.007 0.000 2.871 110 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.262 110 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.262 110 G C 0.143 175.041 174.900 -0.004 0.000 1.126 110 G CA 0.033 45.131 45.100 -0.004 0.000 1.130 110 G HN 0.452 nan 8.290 nan 0.000 0.549 111 K N -0.563 119.835 120.400 -0.003 0.000 2.211 111 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 111 K C 2.391 178.991 176.600 -0.001 0.000 1.052 111 K CA 1.392 57.679 56.287 -0.000 0.000 0.973 111 K CB 0.127 32.630 32.500 0.004 0.000 0.766 111 K HN 0.351 nan 8.250 nan 0.000 0.466 112 T N 0.623 115.176 114.554 -0.002 0.000 3.023 112 T HA -0.045 4.305 4.350 -0.000 0.000 0.266 112 T C 1.717 176.414 174.700 -0.005 0.000 1.093 112 T CA 1.185 63.283 62.100 -0.005 0.000 1.129 112 T CB -0.053 68.812 68.868 -0.004 0.000 0.899 112 T HN 0.190 nan 8.240 nan 0.000 0.491 113 T N 1.736 116.288 114.554 -0.003 0.000 2.978 113 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 113 T C 2.168 176.864 174.700 -0.007 0.000 1.063 113 T CA 0.995 63.093 62.100 -0.004 0.000 1.140 113 T CB -0.353 68.514 68.868 -0.001 0.000 0.886 113 T HN 0.370 nan 8.240 nan 0.000 0.470 114 T N 1.800 116.350 114.554 -0.006 0.000 3.043 114 T HA 0.232 4.582 4.350 -0.000 0.000 0.263 114 T C 2.322 177.015 174.700 -0.012 0.000 1.094 114 T CA 0.671 62.764 62.100 -0.012 0.000 1.127 114 T CB -0.233 68.633 68.868 -0.003 0.000 0.905 114 T HN 0.392 nan 8.240 nan 0.000 0.490 115 A N 1.138 123.954 122.820 -0.006 0.000 2.066 115 A HA 0.439 4.759 4.320 -0.000 0.000 0.218 115 A C 2.402 179.979 177.584 -0.012 0.000 1.157 115 A CA 1.174 53.208 52.037 -0.006 0.000 0.670 115 A CB -0.545 18.448 19.000 -0.011 0.000 0.804 115 A HN 0.481 nan 8.150 nan 0.000 0.453 116 A N -0.480 122.333 122.820 -0.011 0.000 2.147 116 A HA 0.134 4.454 4.320 -0.000 0.000 0.211 116 A C 1.932 179.513 177.584 -0.005 0.000 1.160 116 A CA 0.955 52.987 52.037 -0.008 0.000 0.781 116 A CB -0.100 18.896 19.000 -0.006 0.000 0.842 116 A HN 0.468 nan 8.150 nan 0.000 0.475 117 K N -0.236 120.154 120.400 -0.017 0.000 2.137 117 K HA 0.180 4.500 4.320 -0.000 0.000 0.202 117 K C 1.270 177.851 176.600 -0.030 0.000 1.052 117 K CA 0.776 57.045 56.287 -0.031 0.000 0.961 117 K CB -0.160 32.301 32.500 -0.066 0.000 0.741 117 K HN 0.393 nan 8.250 nan 0.000 0.452 118 L N 0.357 121.561 121.223 -0.032 0.000 2.554 118 L HA 0.048 4.388 4.340 -0.000 0.000 0.226 118 L C 1.982 178.903 176.870 0.084 0.000 1.137 118 L CA 0.101 54.955 54.840 0.024 0.000 0.863 118 L CB -0.074 41.998 42.059 0.022 0.000 0.985 118 L HN 0.124 nan 8.230 nan 0.000 0.451 119 A N -0.838 122.003 122.820 0.035 0.000 2.238 119 A HA 0.083 4.403 4.320 -0.000 0.000 0.210 119 A C 1.844 179.452 177.584 0.040 0.000 1.179 119 A CA 0.472 52.520 52.037 0.018 0.000 0.827 119 A CB 0.125 19.119 19.000 -0.010 0.000 0.856 119 A HN 0.312 nan 8.150 nan 0.000 0.488 120 L N -3.233 118.030 121.223 0.067 0.000 2.685 120 L HA 0.343 4.683 4.340 -0.000 0.000 0.235 120 L C 1.743 178.663 176.870 0.084 0.000 1.070 120 L CA 0.757 55.633 54.840 0.060 0.000 0.888 120 L CB -0.321 41.769 42.059 0.050 0.000 1.203 120 L HN 0.379 nan 8.230 nan 0.000 0.499 121 Y N -1.010 119.263 120.300 -0.045 0.000 2.263 121 Y HA -0.175 4.375 4.550 -0.000 0.000 0.292 121 Y C 1.543 177.317 175.900 -0.210 0.000 1.130 121 Y CA 1.845 59.865 58.100 -0.133 0.000 1.179 121 Y CB -0.051 38.288 38.460 -0.202 0.000 0.998 121 Y HN 0.253 nan 8.280 nan 0.000 0.532 122 Y N -0.707 119.591 120.300 -0.003 0.000 2.462 122 Y HA 0.117 4.667 4.550 -0.000 0.000 0.261 122 Y C 2.195 178.040 175.900 -0.091 0.000 1.146 122 Y CA 0.275 58.329 58.100 -0.077 0.000 1.283 122 Y CB 0.018 38.428 38.460 -0.083 0.000 1.090 122 Y HN -0.049 nan 8.280 nan 0.000 0.526 123 K N -0.062 120.365 120.400 0.046 0.000 2.167 123 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 123 K C 2.109 178.695 176.600 -0.024 0.000 1.052 123 K CA 1.046 57.338 56.287 0.007 0.000 0.956 123 K CB -0.255 32.247 32.500 0.004 0.000 0.735 123 K HN 0.362 nan 8.250 nan 0.000 0.451 124 G N 0.367 109.131 108.800 -0.059 0.000 2.777 124 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.211 124 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.211 124 G C 1.093 175.940 174.900 -0.089 0.000 1.149 124 G CA 0.043 45.099 45.100 -0.074 0.000 0.785 124 G HN 0.193 nan 8.290 nan 0.000 0.536 125 K N -0.777 119.561 120.400 -0.102 0.000 2.166 125 K HA 0.261 4.581 4.320 -0.000 0.000 0.201 125 K C 1.670 178.251 176.600 -0.032 0.000 1.052 125 K CA 0.778 57.011 56.287 -0.089 0.000 0.969 125 K CB 0.406 32.831 32.500 -0.126 0.000 0.761 125 K HN 0.277 nan 8.250 nan 0.000 0.459 126 G N 0.478 109.272 108.800 -0.010 0.000 3.272 126 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 126 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 126 G C -0.344 174.557 174.900 0.002 0.000 0.952 126 G CA -0.643 44.455 45.100 -0.003 0.000 0.833 126 G HN -0.099 nan 8.290 nan 0.000 0.608 127 R N 0.664 121.176 120.500 0.019 0.000 2.500 127 R HA 0.650 4.990 4.340 -0.000 0.000 0.277 127 R C -0.164 176.119 176.300 -0.029 0.000 1.026 127 R CA -0.559 55.535 56.100 -0.009 0.000 1.058 127 R CB 0.805 31.099 30.300 -0.009 0.000 1.078 127 R HN 0.211 nan 8.270 nan 0.000 0.509 128 R N 2.276 122.739 120.500 -0.061 0.000 2.246 128 R HA 0.350 4.690 4.340 -0.000 0.000 0.332 128 R C -2.235 174.007 176.300 -0.097 0.000 0.974 128 R CA -1.724 54.339 56.100 -0.063 0.000 0.837 128 R CB 1.353 31.622 30.300 -0.053 0.000 1.145 128 R HN 0.318 nan 8.270 nan 0.000 0.467 129 P HA 0.234 nan 4.420 nan 0.000 0.276 129 P C -1.286 175.954 177.300 -0.099 0.000 1.252 129 P CA -0.614 62.414 63.100 -0.121 0.000 0.802 129 P CB 0.756 32.402 31.700 -0.091 0.000 1.035 130 L N 1.038 122.195 121.223 -0.111 0.000 2.543 130 L HA 0.429 4.769 4.340 -0.000 0.000 0.265 130 L C -1.820 174.998 176.870 -0.087 0.000 0.945 130 L CA -0.292 54.496 54.840 -0.087 0.000 0.869 130 L CB 1.368 43.376 42.059 -0.084 0.000 1.294 130 L HN 0.167 nan 8.230 nan 0.000 0.405 131 L N 5.358 126.540 121.223 -0.068 0.000 2.307 131 L HA 0.778 5.118 4.340 -0.000 0.000 0.284 131 L C -0.854 175.978 176.870 -0.063 0.000 1.023 131 L CA -0.857 53.944 54.840 -0.065 0.000 0.810 131 L CB 1.896 43.925 42.059 -0.050 0.000 1.231 131 L HN 0.350 nan 8.230 nan 0.000 0.423 132 V N 2.262 122.130 119.914 -0.077 0.000 2.588 132 V HA 0.672 4.792 4.120 -0.000 0.000 0.304 132 V C -0.119 175.928 176.094 -0.078 0.000 1.042 132 V CA -0.646 61.607 62.300 -0.078 0.000 0.877 132 V CB 1.795 33.558 31.823 -0.100 0.000 0.996 132 V HN 0.808 nan 8.190 nan 0.000 0.425 133 A N 3.177 125.964 122.820 -0.055 0.000 2.267 133 A HA 0.779 5.099 4.320 -0.000 0.000 0.315 133 A C 0.614 178.177 177.584 -0.035 0.000 1.297 133 A CA 0.087 52.097 52.037 -0.044 0.000 0.865 133 A CB 1.192 20.175 19.000 -0.029 0.000 1.165 133 A HN 1.294 nan 8.150 nan 0.000 0.513 134 A N 2.049 124.847 122.820 -0.037 0.000 2.387 134 A HA 0.281 4.601 4.320 -0.000 0.000 0.234 134 A C 0.393 177.979 177.584 0.004 0.000 1.253 134 A CA 0.041 52.069 52.037 -0.015 0.000 0.894 134 A CB -0.042 18.948 19.000 -0.015 0.000 0.963 134 A HN 0.651 nan 8.150 nan 0.000 0.508 135 D N 0.998 121.399 120.400 0.001 0.000 2.336 135 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 135 D C 1.183 177.488 176.300 0.008 0.000 1.213 135 D CA 0.939 54.945 54.000 0.010 0.000 0.870 135 D CB 1.090 41.895 40.800 0.007 0.000 1.076 135 D HN 0.302 nan 8.370 nan 0.000 0.483 136 T N 0.004 114.566 114.554 0.013 0.000 2.955 136 T HA -0.069 4.281 4.350 -0.000 0.000 0.251 136 T C 1.566 176.273 174.700 0.012 0.000 1.002 136 T CA -0.069 62.038 62.100 0.011 0.000 0.970 136 T CB -0.036 68.839 68.868 0.011 0.000 1.091 136 T HN 0.432 nan 8.240 nan 0.000 0.495 137 Q N 1.030 120.839 119.800 0.015 0.000 2.245 137 Q HA 0.124 4.464 4.340 -0.000 0.000 0.201 137 Q C 1.478 177.486 176.000 0.013 0.000 0.955 137 Q CA 0.252 56.063 55.803 0.015 0.000 0.870 137 Q CB -0.030 28.719 28.738 0.019 0.000 0.945 137 Q HN 0.348 nan 8.270 nan 0.000 0.461 138 R N 2.106 122.614 120.500 0.013 0.000 2.254 138 R HA 0.315 4.655 4.340 -0.000 0.000 0.318 138 R C -2.498 173.806 176.300 0.008 0.000 1.031 138 R CA -2.038 54.068 56.100 0.011 0.000 0.905 138 R CB 0.762 31.069 30.300 0.012 0.000 1.050 138 R HN 0.008 nan 8.270 nan 0.000 0.456 139 P HA 0.078 nan 4.420 nan 0.000 0.271 139 P C -0.733 176.569 177.300 0.004 0.000 1.216 139 P CA 0.390 63.493 63.100 0.005 0.000 0.771 139 P CB 1.265 32.968 31.700 0.005 0.000 0.864 140 A N 2.827 125.648 122.820 0.002 0.000 2.872 140 A HA -0.172 4.148 4.320 -0.000 0.000 0.273 140 A C 1.536 179.120 177.584 0.001 0.000 1.442 140 A CA 1.115 53.153 52.037 0.001 0.000 0.801 140 A CB -2.213 16.788 19.000 0.001 0.000 1.031 140 A HN 0.582 nan 8.150 nan 0.000 0.582 141 A N -0.800 122.020 122.820 0.001 0.000 2.030 141 A HA 0.166 4.486 4.320 -0.000 0.000 0.215 141 A C 1.875 179.457 177.584 -0.003 0.000 1.164 141 A CA 1.229 53.267 52.037 0.000 0.000 0.697 141 A CB -0.145 18.857 19.000 0.003 0.000 0.827 141 A HN 0.656 nan 8.150 nan 0.000 0.457 142 R N -0.601 119.897 120.500 -0.004 0.000 2.275 142 R HA 0.052 4.392 4.340 -0.000 0.000 0.199 142 R C 1.740 178.035 176.300 -0.007 0.000 0.989 142 R CA 0.969 57.065 56.100 -0.007 0.000 1.016 142 R CB 0.060 30.356 30.300 -0.006 0.000 0.918 142 R HN 0.670 nan 8.270 nan 0.000 0.473 143 E N 0.570 120.767 120.200 -0.005 0.000 2.340 143 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 143 E C 1.767 178.365 176.600 -0.005 0.000 0.996 143 E CA 0.173 56.570 56.400 -0.005 0.000 0.869 143 E CB 0.403 30.101 29.700 -0.003 0.000 0.835 143 E HN 0.237 nan 8.360 nan 0.000 0.493 144 Q N 0.128 119.925 119.800 -0.004 0.000 2.123 144 Q HA -0.108 4.232 4.340 -0.000 0.000 0.199 144 Q C 1.973 177.969 176.000 -0.006 0.000 0.966 144 Q CA 0.711 56.511 55.803 -0.004 0.000 0.845 144 Q CB 0.195 28.931 28.738 -0.003 0.000 0.907 144 Q HN 0.241 nan 8.270 nan 0.000 0.439 145 L N 0.296 121.514 121.223 -0.009 0.000 2.418 145 L HA 0.035 4.375 4.340 -0.000 0.000 0.218 145 L C 2.093 178.955 176.870 -0.013 0.000 1.125 145 L CA 1.163 55.996 54.840 -0.012 0.000 0.835 145 L CB -0.162 41.887 42.059 -0.016 0.000 0.953 145 L HN 0.040 nan 8.230 nan 0.000 0.454 146 R N -1.300 119.194 120.500 -0.011 0.000 2.153 146 R HA 0.017 4.357 4.340 -0.000 0.000 0.218 146 R C 1.948 178.243 176.300 -0.009 0.000 1.072 146 R CA 0.910 57.004 56.100 -0.011 0.000 0.990 146 R CB -0.002 30.293 30.300 -0.009 0.000 0.889 146 R HN 0.371 nan 8.270 nan 0.000 0.452 147 L N 0.030 121.249 121.223 -0.007 0.000 2.209 147 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 147 L C 1.843 178.710 176.870 -0.005 0.000 1.094 147 L CA 0.602 55.439 54.840 -0.005 0.000 0.790 147 L CB 0.029 42.086 42.059 -0.004 0.000 0.932 147 L HN 0.206 nan 8.230 nan 0.000 0.447 148 L N -0.939 120.281 121.223 -0.006 0.000 2.446 148 L HA 0.075 4.415 4.340 -0.000 0.000 0.219 148 L C 2.300 179.166 176.870 -0.007 0.000 1.116 148 L CA 0.602 55.438 54.840 -0.005 0.000 0.844 148 L CB -0.401 41.654 42.059 -0.006 0.000 0.970 148 L HN 0.232 nan 8.230 nan 0.000 0.457 149 G N -1.035 107.759 108.800 -0.010 0.000 2.683 149 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.213 149 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.213 149 G C 1.357 176.250 174.900 -0.011 0.000 1.142 149 G CA -0.031 45.062 45.100 -0.013 0.000 0.793 149 G HN 0.320 nan 8.290 nan 0.000 0.534 150 E N -0.044 120.151 120.200 -0.009 0.000 2.340 150 E HA 0.094 4.444 4.350 -0.000 0.000 0.194 150 E C 2.158 178.755 176.600 -0.005 0.000 0.996 150 E CA 0.135 56.531 56.400 -0.007 0.000 0.869 150 E CB 0.061 29.758 29.700 -0.007 0.000 0.835 150 E HN 0.359 nan 8.360 nan 0.000 0.493 151 K N 0.314 120.712 120.400 -0.004 0.000 2.167 151 K HA -0.075 4.245 4.320 -0.000 0.000 0.203 151 K C 1.944 178.544 176.600 -0.001 0.000 1.052 151 K CA 1.282 57.568 56.287 -0.002 0.000 0.956 151 K CB 0.351 32.851 32.500 -0.000 0.000 0.735 151 K HN 0.126 nan 8.250 nan 0.000 0.451 152 V N -4.062 115.851 119.914 -0.002 0.000 2.949 152 V HA 0.341 4.461 4.120 -0.000 0.000 0.245 152 V C 1.007 177.098 176.094 -0.004 0.000 1.086 152 V CA 0.598 62.897 62.300 -0.001 0.000 1.097 152 V CB 0.225 32.049 31.823 0.001 0.000 0.762 152 V HN 0.327 nan 8.190 nan 0.000 0.470 153 G N 0.229 109.024 108.800 -0.008 0.000 2.167 153 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.194 153 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.194 153 G C -0.261 174.631 174.900 -0.014 0.000 1.027 153 G CA -0.101 44.993 45.100 -0.010 0.000 0.717 153 G HN 0.853 nan 8.290 nan 0.000 0.501 154 V N 2.038 121.942 119.914 -0.017 0.000 2.448 154 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 154 V C -1.524 174.555 176.094 -0.025 0.000 1.025 154 V CA -1.696 60.590 62.300 -0.024 0.000 0.859 154 V CB 2.010 33.816 31.823 -0.028 0.000 0.988 154 V HN 0.274 nan 8.190 nan 0.000 0.431 155 P HA 0.203 nan 4.420 nan 0.000 0.271 155 P C -0.697 176.585 177.300 -0.029 0.000 1.220 155 P CA 0.067 63.152 63.100 -0.025 0.000 0.768 155 P CB 1.244 32.929 31.700 -0.025 0.000 0.848 156 V N 4.696 124.594 119.914 -0.026 0.000 2.532 156 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 156 V C 0.557 176.635 176.094 -0.027 0.000 1.041 156 V CA -0.819 61.464 62.300 -0.028 0.000 0.926 156 V CB 1.565 33.374 31.823 -0.024 0.000 0.992 156 V HN 0.468 nan 8.190 nan 0.000 0.457 157 L N 3.731 124.936 121.223 -0.031 0.000 2.287 157 L HA 0.544 4.884 4.340 -0.000 0.000 0.287 157 L C -0.052 176.803 176.870 -0.026 0.000 1.022 157 L CA -0.148 54.675 54.840 -0.028 0.000 0.814 157 L CB 1.147 43.186 42.059 -0.032 0.000 1.217 157 L HN 0.701 nan 8.230 nan 0.000 0.420 158 E N 4.064 124.253 120.200 -0.019 0.000 2.174 158 E HA 0.360 4.710 4.350 -0.000 0.000 0.282 158 E C -1.034 175.558 176.600 -0.013 0.000 0.992 158 E CA -0.719 55.672 56.400 -0.016 0.000 0.803 158 E CB 2.346 32.039 29.700 -0.012 0.000 1.090 158 E HN 0.337 nan 8.360 nan 0.000 0.396 159 V N 4.436 124.343 119.914 -0.012 0.000 2.481 159 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 159 V C 0.410 176.502 176.094 -0.003 0.000 1.042 159 V CA -0.552 61.744 62.300 -0.007 0.000 0.928 159 V CB 1.220 33.039 31.823 -0.006 0.000 0.986 159 V HN 0.693 nan 8.190 nan 0.000 0.462 160 M N 2.285 121.884 119.600 -0.001 0.000 2.163 160 M HA 0.275 4.755 4.480 -0.000 0.000 0.305 160 M C -0.250 176.052 176.300 0.004 0.000 1.166 160 M CA -0.210 55.091 55.300 0.001 0.000 1.132 160 M CB 0.254 32.855 32.600 0.001 0.000 1.413 160 M HN 0.585 nan 8.290 nan 0.000 0.478 161 D N 1.035 121.437 120.400 0.004 0.000 2.339 161 D HA 0.379 5.019 4.640 -0.000 0.000 0.256 161 D C 0.464 176.768 176.300 0.006 0.000 1.214 161 D CA 0.717 54.721 54.000 0.006 0.000 0.877 161 D CB 0.446 41.249 40.800 0.005 0.000 1.111 161 D HN 0.856 nan 8.370 nan 0.000 0.478 162 G N 2.096 110.901 108.800 0.008 0.000 2.303 162 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 162 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 162 G C -0.100 174.805 174.900 0.009 0.000 1.106 162 G CA -0.462 44.643 45.100 0.008 0.000 0.900 162 G HN 0.551 nan 8.290 nan 0.000 0.495 163 E N 0.293 120.499 120.200 0.010 0.000 2.191 163 E HA 0.628 4.978 4.350 -0.000 0.000 0.274 163 E C 0.879 177.487 176.600 0.015 0.000 0.948 163 E CA -0.166 56.240 56.400 0.011 0.000 0.802 163 E CB 0.938 30.644 29.700 0.010 0.000 1.137 163 E HN 0.505 nan 8.360 nan 0.000 0.397 164 S N 2.984 118.692 115.700 0.014 0.000 2.565 164 S HA 0.198 4.668 4.470 -0.000 0.000 0.276 164 S C -2.005 172.608 174.600 0.021 0.000 1.326 164 S CA -1.148 57.062 58.200 0.016 0.000 1.045 164 S CB 1.314 64.521 63.200 0.012 0.000 0.918 164 S HN 0.405 nan 8.310 nan 0.000 0.505 165 P HA -0.025 nan 4.420 nan 0.000 0.225 165 P C 0.590 177.910 177.300 0.034 0.000 1.148 165 P CA 0.893 64.015 63.100 0.037 0.000 0.779 165 P CB 0.066 31.790 31.700 0.040 0.000 0.780 166 E N -1.776 118.438 120.200 0.024 0.000 2.318 166 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 166 E C 1.937 178.547 176.600 0.017 0.000 0.998 166 E CA 0.558 56.970 56.400 0.020 0.000 0.859 166 E CB -0.575 29.134 29.700 0.015 0.000 0.812 166 E HN 0.046 nan 8.360 nan 0.000 0.492 167 S N -0.501 115.209 115.700 0.016 0.000 2.501 167 S HA 0.111 4.581 4.470 -0.000 0.000 0.220 167 S C 1.601 176.208 174.600 0.012 0.000 0.997 167 S CA 0.108 58.315 58.200 0.012 0.000 0.919 167 S CB 0.022 63.228 63.200 0.010 0.000 0.778 167 S HN 0.159 nan 8.310 nan 0.000 0.523 168 I N 0.675 121.256 120.570 0.017 0.000 2.406 168 I HA 0.043 4.213 4.170 -0.000 0.000 0.249 168 I C 2.625 178.751 176.117 0.016 0.000 1.122 168 I CA 0.678 61.987 61.300 0.016 0.000 1.431 168 I CB -0.266 37.748 38.000 0.023 0.000 1.087 168 I HN 0.185 nan 8.210 nan 0.000 0.424 169 R N 1.141 121.656 120.500 0.024 0.000 2.189 169 R HA -0.100 4.240 4.340 -0.000 0.000 0.223 169 R C 2.359 178.667 176.300 0.015 0.000 1.092 169 R CA 0.876 56.991 56.100 0.025 0.000 0.989 169 R CB -0.047 30.273 30.300 0.032 0.000 0.876 169 R HN 0.228 nan 8.270 nan 0.000 0.457 170 R N -0.112 120.394 120.500 0.011 0.000 2.148 170 R HA -0.005 4.335 4.340 -0.000 0.000 0.223 170 R C 1.700 178.002 176.300 0.002 0.000 1.088 170 R CA 1.027 57.130 56.100 0.006 0.000 0.985 170 R CB 0.203 30.506 30.300 0.006 0.000 0.880 170 R HN 0.147 nan 8.270 nan 0.000 0.451 171 R N -0.950 119.550 120.500 0.001 0.000 2.237 171 R HA 0.088 4.428 4.340 -0.000 0.000 0.195 171 R C 1.904 178.199 176.300 -0.008 0.000 0.956 171 R CA 0.304 56.401 56.100 -0.004 0.000 1.029 171 R CB 0.475 30.772 30.300 -0.005 0.000 0.972 171 R HN 0.053 nan 8.270 nan 0.000 0.493 172 V N 1.197 121.107 119.914 -0.006 0.000 2.488 172 V HA -0.126 3.994 4.120 -0.000 0.000 0.246 172 V C 1.663 177.751 176.094 -0.010 0.000 1.046 172 V CA 1.582 63.875 62.300 -0.011 0.000 1.053 172 V CB -0.193 31.625 31.823 -0.007 0.000 0.679 172 V HN 0.277 nan 8.190 nan 0.000 0.458 173 E N -0.299 119.899 120.200 -0.003 0.000 2.427 173 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 173 E C 1.960 178.556 176.600 -0.006 0.000 1.028 173 E CA 0.492 56.890 56.400 -0.003 0.000 0.864 173 E CB 0.206 29.908 29.700 0.003 0.000 0.813 173 E HN 0.534 nan 8.360 nan 0.000 0.514 174 E N 1.216 121.411 120.200 -0.007 0.000 2.166 174 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 174 E C 1.712 178.305 176.600 -0.012 0.000 0.967 174 E CA 0.766 57.161 56.400 -0.008 0.000 0.840 174 E CB 0.242 29.938 29.700 -0.006 0.000 0.795 174 E HN -0.064 nan 8.360 nan 0.000 0.470 175 K N -0.761 119.630 120.400 -0.015 0.000 2.305 175 K HA 0.160 4.480 4.320 -0.000 0.000 0.199 175 K C 1.321 177.907 176.600 -0.023 0.000 1.047 175 K CA 0.725 57.001 56.287 -0.019 0.000 0.976 175 K CB 0.153 32.640 32.500 -0.022 0.000 0.765 175 K HN 0.122 nan 8.250 nan 0.000 0.474 176 A N 0.403 123.208 122.820 -0.024 0.000 2.275 176 A HA 0.075 4.395 4.320 -0.000 0.000 0.212 176 A C 1.717 179.287 177.584 -0.023 0.000 1.201 176 A CA 0.142 52.162 52.037 -0.028 0.000 0.843 176 A CB -0.035 18.946 19.000 -0.031 0.000 0.873 176 A HN 0.175 nan 8.150 nan 0.000 0.492 177 R N -1.024 119.465 120.500 -0.018 0.000 2.191 177 R HA 0.313 4.653 4.340 -0.000 0.000 0.196 177 R C 1.391 177.683 176.300 -0.014 0.000 0.991 177 R CA 0.268 56.359 56.100 -0.015 0.000 1.075 177 R CB -0.009 30.285 30.300 -0.011 0.000 1.040 177 R HN 0.453 nan 8.270 nan 0.000 0.526 178 L N 0.311 121.526 121.223 -0.014 0.000 2.095 178 L HA 0.028 4.368 4.340 -0.000 0.000 0.204 178 L C 1.540 178.400 176.870 -0.015 0.000 1.080 178 L CA 1.280 56.112 54.840 -0.013 0.000 0.759 178 L CB -0.067 41.985 42.059 -0.012 0.000 0.914 178 L HN 0.174 nan 8.230 nan 0.000 0.439 179 E N -0.057 120.132 120.200 -0.018 0.000 2.474 179 E HA 0.180 4.530 4.350 -0.000 0.000 0.194 179 E C 0.613 177.199 176.600 -0.024 0.000 1.041 179 E CA 0.419 56.806 56.400 -0.021 0.000 0.874 179 E CB 0.389 30.076 29.700 -0.023 0.000 0.914 179 E HN 0.361 nan 8.360 nan 0.000 0.498 180 A N 2.347 125.152 122.820 -0.024 0.000 2.475 180 A HA -0.191 4.129 4.320 -0.000 0.000 0.295 180 A C -0.381 177.181 177.584 -0.036 0.000 1.457 180 A CA 0.499 52.520 52.037 -0.027 0.000 0.734 180 A CB -1.178 17.808 19.000 -0.023 0.000 1.118 180 A HN 0.082 nan 8.150 nan 0.000 0.400 181 R N 0.095 120.569 120.500 -0.043 0.000 2.312 181 R HA 0.422 4.762 4.340 -0.000 0.000 0.311 181 R C 0.757 177.015 176.300 -0.071 0.000 1.004 181 R CA 0.023 56.087 56.100 -0.059 0.000 0.902 181 R CB 0.983 31.246 30.300 -0.062 0.000 1.073 181 R HN 0.781 nan 8.270 nan 0.000 0.457 182 D N 1.042 121.386 120.400 -0.093 0.000 2.431 182 D HA -0.030 4.610 4.640 -0.000 0.000 0.235 182 D C 0.251 176.450 176.300 -0.169 0.000 0.980 182 D CA -0.125 53.809 54.000 -0.109 0.000 0.912 182 D CB 0.106 40.846 40.800 -0.100 0.000 1.056 182 D HN 0.170 nan 8.370 nan 0.000 0.494 183 L N 1.473 122.556 121.223 -0.234 0.000 2.260 183 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 183 L C -1.183 175.515 176.870 -0.286 0.000 1.057 183 L CA -0.452 54.163 54.840 -0.375 0.000 0.811 183 L CB 0.746 42.487 42.059 -0.530 0.000 1.184 183 L HN 0.083 nan 8.230 nan 0.000 0.429 184 I N 6.380 126.801 120.570 -0.248 0.000 2.339 184 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 184 I C -0.704 175.331 176.117 -0.137 0.000 0.994 184 I CA -0.419 60.790 61.300 -0.153 0.000 1.191 184 I CB 1.185 39.136 38.000 -0.082 0.000 1.343 184 I HN 0.415 nan 8.210 nan 0.000 0.458 185 L N 7.259 128.406 121.223 -0.126 0.000 2.280 185 L HA 0.494 4.834 4.340 -0.000 0.000 0.287 185 L C -0.560 176.235 176.870 -0.126 0.000 1.023 185 L CA -0.803 53.988 54.840 -0.080 0.000 0.819 185 L CB 1.526 43.543 42.059 -0.069 0.000 1.212 185 L HN 0.302 nan 8.230 nan 0.000 0.420 186 V N 1.821 121.606 119.914 -0.215 0.000 2.370 186 V HA 0.224 4.344 4.120 -0.000 0.000 0.279 186 V C -0.446 175.476 176.094 -0.288 0.000 1.029 186 V CA -0.466 61.608 62.300 -0.377 0.000 0.870 186 V CB 1.724 33.014 31.823 -0.888 0.000 0.984 186 V HN 0.626 nan 8.190 nan 0.000 0.451 187 D N 3.568 123.863 120.400 -0.175 0.000 2.392 187 D HA 0.503 5.143 4.640 -0.000 0.000 0.228 187 D C 0.416 176.679 176.300 -0.062 0.000 1.074 187 D CA -0.121 53.826 54.000 -0.087 0.000 0.838 187 D CB 1.261 42.031 40.800 -0.051 0.000 1.067 187 D HN 0.735 nan 8.370 nan 0.000 0.511 188 T N 0.433 114.979 114.554 -0.013 0.000 2.849 188 T HA 0.764 5.114 4.350 -0.000 0.000 0.276 188 T C 0.488 175.219 174.700 0.051 0.000 0.971 188 T CA -0.930 61.196 62.100 0.044 0.000 0.949 188 T CB 1.301 70.252 68.868 0.139 0.000 1.093 188 T HN 0.321 nan 8.240 nan 0.000 0.545 189 A N -0.261 122.599 122.820 0.067 0.000 2.271 189 A HA 0.706 5.026 4.320 -0.000 0.000 0.288 189 A C 0.775 178.405 177.584 0.076 0.000 1.094 189 A CA -0.444 51.629 52.037 0.059 0.000 0.828 189 A CB -0.240 18.791 19.000 0.052 0.000 1.091 189 A HN 1.243 nan 8.150 nan 0.000 0.493 190 G N 0.431 109.268 108.800 0.061 0.000 2.351 190 G HA2 0.518 4.478 3.960 -0.000 0.000 0.287 190 G HA3 0.518 4.478 3.960 -0.000 0.000 0.287 190 G C 0.061 175.011 174.900 0.084 0.000 1.159 190 G CA -0.528 44.612 45.100 0.067 0.000 0.929 190 G HN 0.933 nan 8.290 nan 0.000 0.435 191 R N 2.248 122.826 120.500 0.130 0.000 2.808 191 R HA 0.640 4.980 4.340 -0.000 0.000 0.272 191 R C -0.994 175.414 176.300 0.181 0.000 0.995 191 R CA -1.036 55.146 56.100 0.137 0.000 0.917 191 R CB 1.390 31.769 30.300 0.133 0.000 1.217 191 R HN 0.338 nan 8.270 nan 0.000 0.471 192 L N 1.097 122.395 121.223 0.126 0.000 2.469 192 L HA 0.171 4.511 4.340 -0.000 0.000 0.253 192 L C 1.812 178.767 176.870 0.142 0.000 1.143 192 L CA -0.737 54.180 54.840 0.128 0.000 0.804 192 L CB 1.034 43.135 42.059 0.070 0.000 1.214 192 L HN 0.781 nan 8.230 nan 0.000 0.476 193 Q N 1.248 121.132 119.800 0.140 0.000 2.302 193 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 193 Q C 1.388 177.391 176.000 0.005 0.000 0.936 193 Q CA 1.346 57.209 55.803 0.099 0.000 0.886 193 Q CB -0.047 28.780 28.738 0.149 0.000 0.986 193 Q HN 0.849 nan 8.270 nan 0.000 0.487 194 I N -1.462 119.117 120.570 0.015 0.000 3.603 194 I HA 0.288 4.458 4.170 -0.000 0.000 0.297 194 I C -0.091 176.018 176.117 -0.014 0.000 1.269 194 I CA -0.317 60.981 61.300 -0.003 0.000 1.361 194 I CB 0.073 38.078 38.000 0.007 0.000 1.063 194 I HN -0.190 nan 8.210 nan 0.000 0.448 195 D N 2.453 122.846 120.400 -0.012 0.000 2.338 195 D HA 0.047 4.687 4.640 -0.000 0.000 0.255 195 D C 1.190 177.467 176.300 -0.038 0.000 1.237 195 D CA 0.017 54.008 54.000 -0.015 0.000 0.883 195 D CB 0.840 41.640 40.800 0.001 0.000 1.087 195 D HN 0.111 nan 8.370 nan 0.000 0.485 196 E N 3.393 123.572 120.200 -0.035 0.000 2.158 196 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 196 E C -0.770 175.806 176.600 -0.039 0.000 0.982 196 E CA 0.656 57.029 56.400 -0.045 0.000 0.823 196 E CB -0.931 28.747 29.700 -0.037 0.000 0.766 196 E HN 0.542 nan 8.360 nan 0.000 0.468 197 P HA -0.032 nan 4.420 nan 0.000 0.221 197 P C 1.411 178.700 177.300 -0.017 0.000 1.150 197 P CA 0.835 63.924 63.100 -0.018 0.000 0.800 197 P CB 0.061 31.756 31.700 -0.009 0.000 0.787 198 L N -2.275 118.937 121.223 -0.018 0.000 2.307 198 L HA 0.065 4.405 4.340 -0.000 0.000 0.211 198 L C 2.122 178.972 176.870 -0.033 0.000 1.099 198 L CA 0.633 55.468 54.840 -0.010 0.000 0.816 198 L CB -0.438 41.626 42.059 0.009 0.000 0.952 198 L HN -0.040 nan 8.230 nan 0.000 0.455 199 M N -0.692 118.862 119.600 -0.076 0.000 2.506 199 M HA 0.077 4.557 4.480 -0.000 0.000 0.260 199 M C 2.070 178.305 176.300 -0.108 0.000 1.104 199 M CA 0.891 56.106 55.300 -0.142 0.000 1.112 199 M CB -0.857 31.614 32.600 -0.215 0.000 1.401 199 M HN 0.225 nan 8.290 nan 0.000 0.473 200 G N -0.736 108.022 108.800 -0.069 0.000 2.683 200 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.213 200 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.213 200 G C 1.465 176.345 174.900 -0.034 0.000 1.142 200 G CA 0.098 45.167 45.100 -0.053 0.000 0.793 200 G HN 0.497 nan 8.290 nan 0.000 0.534 201 E N -0.552 119.635 120.200 -0.022 0.000 2.250 201 E HA 0.086 4.436 4.350 -0.000 0.000 0.192 201 E C 2.100 178.708 176.600 0.013 0.000 0.986 201 E CA -0.070 56.330 56.400 0.001 0.000 0.849 201 E CB 0.072 29.779 29.700 0.012 0.000 0.797 201 E HN 0.295 nan 8.360 nan 0.000 0.482 202 L N 0.260 121.482 121.223 -0.001 0.000 2.240 202 L HA 0.132 4.472 4.340 -0.000 0.000 0.211 202 L C 2.022 178.865 176.870 -0.045 0.000 1.106 202 L CA 1.437 56.284 54.840 0.012 0.000 0.793 202 L CB -0.096 41.968 42.059 0.009 0.000 0.927 202 L HN 0.096 nan 8.230 nan 0.000 0.446 203 A N -1.010 121.772 122.820 -0.064 0.000 2.067 203 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 203 A C 2.315 179.863 177.584 -0.059 0.000 1.156 203 A CA 1.004 52.994 52.037 -0.079 0.000 0.683 203 A CB -0.353 18.600 19.000 -0.079 0.000 0.808 203 A HN 0.368 nan 8.150 nan 0.000 0.455 204 R N -0.996 119.484 120.500 -0.033 0.000 2.173 204 R HA 0.180 4.520 4.340 -0.000 0.000 0.208 204 R C 1.559 177.860 176.300 0.001 0.000 1.035 204 R CA 0.689 56.780 56.100 -0.015 0.000 1.004 204 R CB -0.551 29.746 30.300 -0.004 0.000 0.917 204 R HN 0.366 nan 8.270 nan 0.000 0.462 205 L N 0.530 121.762 121.223 0.017 0.000 2.395 205 L HA 0.118 4.458 4.340 -0.000 0.000 0.218 205 L C 1.832 178.716 176.870 0.023 0.000 1.130 205 L CA 1.511 56.397 54.840 0.077 0.000 0.826 205 L CB -0.170 41.992 42.059 0.171 0.000 0.941 205 L HN 0.098 nan 8.230 nan 0.000 0.451 206 K N -0.854 119.479 120.400 -0.112 0.000 2.211 206 K HA -0.111 4.209 4.320 -0.000 0.000 0.201 206 K C 1.906 178.447 176.600 -0.100 0.000 1.052 206 K CA 0.731 56.885 56.287 -0.222 0.000 0.973 206 K CB 0.225 32.558 32.500 -0.278 0.000 0.766 206 K HN 0.360 nan 8.250 nan 0.000 0.466 207 E N 0.057 120.224 120.200 -0.056 0.000 2.112 207 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 207 E C 1.694 178.290 176.600 -0.006 0.000 0.979 207 E CA 0.682 57.064 56.400 -0.030 0.000 0.814 207 E CB 0.385 30.069 29.700 -0.026 0.000 0.762 207 E HN 0.071 nan 8.360 nan 0.000 0.460 208 V N 0.868 120.788 119.914 0.011 0.000 2.346 208 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 208 V C 2.312 178.431 176.094 0.042 0.000 1.037 208 V CA 1.114 63.430 62.300 0.026 0.000 1.029 208 V CB -0.344 31.500 31.823 0.034 0.000 0.663 208 V HN 0.258 nan 8.190 nan 0.000 0.454 209 L N 0.499 121.763 121.223 0.069 0.000 2.044 209 L HA 0.231 4.571 4.340 -0.000 0.000 0.205 209 L C 1.479 178.397 176.870 0.080 0.000 1.075 209 L CA 1.336 56.236 54.840 0.100 0.000 0.747 209 L CB -0.715 41.465 42.059 0.201 0.000 0.903 209 L HN 0.582 nan 8.230 nan 0.000 0.435 210 G N 1.110 109.941 108.800 0.052 0.000 2.623 210 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.281 210 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.281 210 G C -2.140 172.795 174.900 0.059 0.000 1.087 210 G CA -0.322 44.797 45.100 0.031 0.000 1.244 210 G HN 0.199 nan 8.290 nan 0.000 0.544 211 P HA 0.385 nan 4.420 nan 0.000 0.277 211 P C 0.297 177.642 177.300 0.074 0.000 1.271 211 P CA 0.101 63.272 63.100 0.119 0.000 0.795 211 P CB 1.123 32.919 31.700 0.160 0.000 1.101 212 D N -1.184 119.282 120.400 0.111 0.000 2.716 212 D HA 0.038 4.678 4.640 -0.000 0.000 0.273 212 D C -0.187 176.125 176.300 0.020 0.000 1.024 212 D CA 0.456 54.498 54.000 0.070 0.000 0.944 212 D CB 0.327 41.187 40.800 0.100 0.000 1.186 212 D HN 0.261 nan 8.370 nan 0.000 0.485 213 E N 1.375 121.569 120.200 -0.008 0.000 2.182 213 E HA 0.394 4.744 4.350 -0.000 0.000 0.258 213 E C -0.956 175.553 176.600 -0.152 0.000 0.879 213 E CA -0.631 55.654 56.400 -0.192 0.000 0.754 213 E CB 3.010 32.371 29.700 -0.565 0.000 1.162 213 E HN -0.016 nan 8.360 nan 0.000 0.419 214 V N 5.060 124.931 119.914 -0.072 0.000 2.333 214 V HA 0.317 4.437 4.120 -0.000 0.000 0.274 214 V C 0.294 176.377 176.094 -0.019 0.000 1.028 214 V CA -0.571 61.732 62.300 0.005 0.000 0.851 214 V CB 0.696 32.511 31.823 -0.013 0.000 1.000 214 V HN 0.480 nan 8.190 nan 0.000 0.456 215 L N 5.566 126.784 121.223 -0.007 0.000 2.289 215 L HA 0.529 4.869 4.340 -0.000 0.000 0.285 215 L C -0.448 176.421 176.870 -0.001 0.000 1.049 215 L CA -0.598 54.231 54.840 -0.019 0.000 0.804 215 L CB 1.560 43.599 42.059 -0.033 0.000 1.195 215 L HN 0.453 nan 8.230 nan 0.000 0.428 216 L N 4.560 125.755 121.223 -0.046 0.000 2.280 216 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 216 L C -0.430 176.379 176.870 -0.101 0.000 1.023 216 L CA -0.237 54.541 54.840 -0.103 0.000 0.819 216 L CB 1.598 43.562 42.059 -0.158 0.000 1.212 216 L HN 0.243 nan 8.230 nan 0.000 0.420 217 V N 6.537 126.395 119.914 -0.093 0.000 2.372 217 V HA 0.292 4.412 4.120 -0.000 0.000 0.261 217 V C -0.019 176.016 176.094 -0.098 0.000 1.055 217 V CA -0.307 61.951 62.300 -0.070 0.000 0.930 217 V CB 0.754 32.554 31.823 -0.038 0.000 1.031 217 V HN 0.594 nan 8.190 nan 0.000 0.479 218 L N 4.506 125.677 121.223 -0.088 0.000 2.346 218 L HA 0.628 4.968 4.340 -0.000 0.000 0.274 218 L C -0.094 176.746 176.870 -0.050 0.000 1.007 218 L CA 0.085 54.874 54.840 -0.086 0.000 0.818 218 L CB 1.778 43.776 42.059 -0.101 0.000 1.284 218 L HN 0.564 nan 8.230 nan 0.000 0.424 219 D N 2.129 122.505 120.400 -0.041 0.000 2.354 219 D HA 0.318 4.958 4.640 -0.000 0.000 0.247 219 D C 0.239 176.531 176.300 -0.014 0.000 1.138 219 D CA 0.351 54.339 54.000 -0.020 0.000 0.958 219 D CB 2.269 43.059 40.800 -0.017 0.000 1.144 219 D HN 0.733 nan 8.370 nan 0.000 0.458 220 A N 1.990 124.808 122.820 -0.002 0.000 2.123 220 A HA -0.050 4.270 4.320 -0.000 0.000 0.214 220 A C 1.742 179.325 177.584 -0.002 0.000 1.152 220 A CA 0.452 52.491 52.037 0.003 0.000 0.728 220 A CB -0.364 18.645 19.000 0.015 0.000 0.814 220 A HN 0.669 nan 8.150 nan 0.000 0.464 221 M N -1.134 118.464 119.600 -0.004 0.000 2.493 221 M HA 0.224 4.704 4.480 -0.000 0.000 0.244 221 M C -0.549 175.747 176.300 -0.007 0.000 1.182 221 M CA 0.126 55.423 55.300 -0.004 0.000 0.981 221 M CB -0.443 32.156 32.600 -0.001 0.000 1.551 221 M HN -0.030 nan 8.290 nan 0.000 0.476 222 T N 1.587 116.134 114.554 -0.011 0.000 2.794 222 T HA 0.477 4.827 4.350 -0.000 0.000 0.296 222 T C 1.110 175.803 174.700 -0.013 0.000 0.949 222 T CA -0.221 61.871 62.100 -0.013 0.000 1.101 222 T CB 1.550 70.406 68.868 -0.021 0.000 0.905 222 T HN 0.505 nan 8.240 nan 0.000 0.516 223 G N 1.636 110.431 108.800 -0.009 0.000 3.107 223 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.155 223 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.155 223 G C 0.973 175.868 174.900 -0.010 0.000 1.875 223 G CA -0.137 44.958 45.100 -0.008 0.000 1.004 223 G HN 0.575 nan 8.290 nan 0.000 0.480 224 Q N 0.280 120.077 119.800 -0.005 0.000 2.435 224 Q HA 0.031 4.371 4.340 -0.000 0.000 0.207 224 Q C 1.478 177.478 176.000 0.000 0.000 0.956 224 Q CA 0.441 56.242 55.803 -0.004 0.000 0.917 224 Q CB 0.277 29.014 28.738 -0.001 0.000 0.997 224 Q HN 0.501 nan 8.270 nan 0.000 0.497 225 E N 0.408 120.609 120.200 0.002 0.000 2.359 225 E HA 0.131 4.481 4.350 -0.000 0.000 0.187 225 E C 0.895 177.498 176.600 0.005 0.000 1.081 225 E CA -0.016 56.389 56.400 0.008 0.000 0.929 225 E CB 0.250 29.956 29.700 0.011 0.000 1.086 225 E HN 0.225 nan 8.360 nan 0.000 0.462 226 A N 0.242 123.060 122.820 -0.003 0.000 2.123 226 A HA -0.020 4.300 4.320 -0.000 0.000 0.214 226 A C 1.955 179.537 177.584 -0.004 0.000 1.152 226 A CA 0.277 52.306 52.037 -0.012 0.000 0.728 226 A CB 0.003 18.988 19.000 -0.024 0.000 0.814 226 A HN 0.233 nan 8.150 nan 0.000 0.464 227 L N -1.224 120.004 121.223 0.008 0.000 2.249 227 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 227 L C 2.369 179.258 176.870 0.031 0.000 1.090 227 L CA 1.897 56.748 54.840 0.019 0.000 0.802 227 L CB -0.273 41.799 42.059 0.023 0.000 0.947 227 L HN 0.256 nan 8.230 nan 0.000 0.453 228 S N -1.695 114.025 115.700 0.034 0.000 2.453 228 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 228 S C 1.736 176.385 174.600 0.083 0.000 1.005 228 S CA 1.137 59.366 58.200 0.048 0.000 0.949 228 S CB -0.094 63.130 63.200 0.040 0.000 0.774 228 S HN 0.284 nan 8.310 nan 0.000 0.510 229 V N 1.378 121.342 119.914 0.082 0.000 2.446 229 V HA 0.141 4.261 4.120 -0.000 0.000 0.244 229 V C 2.712 178.905 176.094 0.165 0.000 1.039 229 V CA 1.342 63.725 62.300 0.137 0.000 1.045 229 V CB -1.002 30.834 31.823 0.021 0.000 0.681 229 V HN 0.516 nan 8.190 nan 0.000 0.459 230 A N -0.183 122.677 122.820 0.067 0.000 2.066 230 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 230 A C 2.357 179.989 177.584 0.081 0.000 1.157 230 A CA 1.452 53.521 52.037 0.052 0.000 0.670 230 A CB -0.412 18.590 19.000 0.002 0.000 0.804 230 A HN 0.442 nan 8.150 nan 0.000 0.453 231 R N -0.917 119.630 120.500 0.079 0.000 2.140 231 R HA 0.148 4.488 4.340 -0.000 0.000 0.213 231 R C 2.117 178.452 176.300 0.058 0.000 1.059 231 R CA 0.962 57.094 56.100 0.054 0.000 1.000 231 R CB -0.141 30.180 30.300 0.035 0.000 0.910 231 R HN 0.417 nan 8.270 nan 0.000 0.455 232 A N -0.360 122.516 122.820 0.092 0.000 2.016 232 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 232 A C 1.459 179.025 177.584 -0.031 0.000 1.162 232 A CA 0.648 52.701 52.037 0.027 0.000 0.662 232 A CB -0.252 18.762 19.000 0.024 0.000 0.812 232 A HN 0.321 nan 8.150 nan 0.000 0.450 233 F N -0.779 119.159 119.950 -0.020 0.000 2.789 233 F HA 0.084 4.611 4.527 -0.000 0.000 0.300 233 F C 1.778 177.558 175.800 -0.034 0.000 1.132 233 F CA 0.929 58.915 58.000 -0.024 0.000 1.404 233 F CB 0.258 39.246 39.000 -0.019 0.000 1.114 233 F HN 0.313 nan 8.300 nan 0.000 0.584 234 D N -0.412 120.053 120.400 0.108 0.000 2.431 234 D HA -0.041 4.599 4.640 -0.000 0.000 0.235 234 D C 1.890 178.191 176.300 0.002 0.000 0.980 234 D CA 0.747 54.774 54.000 0.045 0.000 0.912 234 D CB 0.218 41.038 40.800 0.032 0.000 1.056 234 D HN 0.154 nan 8.370 nan 0.000 0.494 235 E N -0.001 120.193 120.200 -0.010 0.000 2.158 235 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 235 E C 1.769 178.340 176.600 -0.047 0.000 0.982 235 E CA 0.665 57.049 56.400 -0.027 0.000 0.823 235 E CB 0.280 29.965 29.700 -0.025 0.000 0.766 235 E HN 0.187 nan 8.360 nan 0.000 0.468 236 K N 0.105 120.462 120.400 -0.072 0.000 2.099 236 K HA 0.022 4.342 4.320 -0.000 0.000 0.203 236 K C 1.944 178.483 176.600 -0.102 0.000 1.047 236 K CA 0.677 56.904 56.287 -0.100 0.000 0.963 236 K CB 0.400 32.809 32.500 -0.152 0.000 0.759 236 K HN -0.083 nan 8.250 nan 0.000 0.451 237 V N -0.530 119.322 119.914 -0.104 0.000 2.693 237 V HA 0.290 4.410 4.120 -0.000 0.000 0.223 237 V C 0.618 176.677 176.094 -0.059 0.000 1.131 237 V CA 0.540 62.788 62.300 -0.088 0.000 1.177 237 V CB 0.205 31.985 31.823 -0.071 0.000 0.852 237 V HN 0.471 nan 8.190 nan 0.000 0.507 238 G N 0.281 109.070 108.800 -0.018 0.000 2.372 238 G HA2 0.136 4.096 3.960 -0.000 0.000 0.207 238 G HA3 0.136 4.096 3.960 -0.000 0.000 0.207 238 G C -1.155 173.741 174.900 -0.006 0.000 1.473 238 G CA -0.545 44.544 45.100 -0.019 0.000 1.183 238 G HN 0.289 nan 8.290 nan 0.000 0.607 239 V N 2.156 122.081 119.914 0.019 0.000 2.465 239 V HA 0.635 4.755 4.120 -0.000 0.000 0.279 239 V C 1.401 177.487 176.094 -0.012 0.000 1.045 239 V CA 0.682 62.988 62.300 0.011 0.000 0.938 239 V CB 1.439 33.274 31.823 0.020 0.000 0.986 239 V HN 1.057 nan 8.190 nan 0.000 0.467 240 T N 0.149 114.694 114.554 -0.014 0.000 3.040 240 T HA 0.454 4.804 4.350 -0.000 0.000 0.266 240 T C 0.520 175.238 174.700 0.030 0.000 1.005 240 T CA 0.355 62.453 62.100 -0.002 0.000 0.906 240 T CB 0.607 69.475 68.868 0.000 0.000 1.082 240 T HN 0.946 nan 8.240 nan 0.000 0.531 241 G N 0.562 109.365 108.800 0.005 0.000 2.698 241 G HA2 0.642 4.602 3.960 -0.000 0.000 0.293 241 G HA3 0.642 4.602 3.960 -0.000 0.000 0.293 241 G C -2.175 172.685 174.900 -0.067 0.000 1.437 241 G CA -0.854 44.259 45.100 0.021 0.000 0.852 241 G HN 0.285 nan 8.290 nan 0.000 0.499 242 L N 0.263 121.397 121.223 -0.149 0.000 2.401 242 L HA 0.754 5.094 4.340 -0.000 0.000 0.266 242 L C -0.608 176.171 176.870 -0.152 0.000 0.991 242 L CA -1.075 53.663 54.840 -0.170 0.000 0.818 242 L CB 2.669 44.581 42.059 -0.246 0.000 1.321 242 L HN 0.355 nan 8.230 nan 0.000 0.413 243 V N 3.342 123.197 119.914 -0.097 0.000 2.588 243 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 243 V C -0.901 175.159 176.094 -0.056 0.000 1.042 243 V CA -0.559 61.720 62.300 -0.035 0.000 0.877 243 V CB 2.189 34.039 31.823 0.045 0.000 0.996 243 V HN 0.436 nan 8.190 nan 0.000 0.425 244 L N 5.640 126.847 121.223 -0.027 0.000 2.295 244 L HA 0.681 5.021 4.340 -0.000 0.000 0.281 244 L C 0.503 177.408 176.870 0.059 0.000 1.018 244 L CA 0.372 55.220 54.840 0.012 0.000 0.841 244 L CB 1.463 43.553 42.059 0.052 0.000 1.218 244 L HN 0.921 nan 8.230 nan 0.000 0.424 245 T N 0.669 115.241 114.554 0.031 0.000 2.912 245 T HA 0.490 4.840 4.350 -0.000 0.000 0.280 245 T C -0.105 174.612 174.700 0.028 0.000 0.989 245 T CA -0.870 61.249 62.100 0.032 0.000 0.995 245 T CB 0.937 69.814 68.868 0.015 0.000 1.077 245 T HN 0.521 nan 8.240 nan 0.000 0.531 246 K N 0.442 120.857 120.400 0.026 0.000 3.939 246 K HA -0.117 4.203 4.320 -0.000 0.000 0.281 246 K C -0.322 176.293 176.600 0.026 0.000 0.981 246 K CA 0.145 56.445 56.287 0.021 0.000 0.833 246 K CB -1.773 30.735 32.500 0.013 0.000 1.501 246 K HN 0.565 nan 8.250 nan 0.000 0.445 247 L N 0.827 122.069 121.223 0.032 0.000 3.017 247 L HA 0.063 4.403 4.340 -0.000 0.000 0.255 247 L C 1.587 178.472 176.870 0.025 0.000 1.247 247 L CA -0.217 54.642 54.840 0.032 0.000 1.038 247 L CB 0.083 42.169 42.059 0.045 0.000 1.380 247 L HN 0.433 nan 8.230 nan 0.000 0.548 248 D N -0.866 119.546 120.400 0.021 0.000 2.301 248 D HA 0.008 4.648 4.640 -0.000 0.000 0.206 248 D C 1.129 177.436 176.300 0.013 0.000 0.979 248 D CA 0.376 54.386 54.000 0.017 0.000 0.874 248 D CB 0.617 41.427 40.800 0.016 0.000 0.968 248 D HN 0.204 nan 8.370 nan 0.000 0.510 249 G N 1.765 110.572 108.800 0.012 0.000 2.666 249 G HA2 0.032 3.992 3.960 -0.000 0.000 0.207 249 G HA3 0.032 3.992 3.960 -0.000 0.000 0.207 249 G C 0.544 175.449 174.900 0.008 0.000 1.481 249 G CA 0.223 45.328 45.100 0.009 0.000 1.071 249 G HN 0.197 nan 8.290 nan 0.000 0.572 250 D N -0.137 120.267 120.400 0.007 0.000 2.325 250 D HA 0.278 4.918 4.640 -0.000 0.000 0.225 250 D C 0.982 177.285 176.300 0.005 0.000 1.096 250 D CA 0.048 54.051 54.000 0.006 0.000 0.844 250 D CB 0.036 40.839 40.800 0.005 0.000 0.925 250 D HN 0.368 nan 8.370 nan 0.000 0.513 251 A N 1.018 123.842 122.820 0.007 0.000 2.388 251 A HA 0.257 4.577 4.320 -0.000 0.000 0.257 251 A C 1.326 178.914 177.584 0.007 0.000 1.095 251 A CA -0.560 51.481 52.037 0.006 0.000 0.791 251 A CB 0.911 19.916 19.000 0.008 0.000 1.029 251 A HN -0.034 nan 8.150 nan 0.000 0.489 252 R N 1.794 122.297 120.500 0.004 0.000 2.080 252 R HA 0.114 4.454 4.340 -0.000 0.000 0.222 252 R C 1.191 177.495 176.300 0.007 0.000 1.107 252 R CA 1.003 57.105 56.100 0.003 0.000 0.980 252 R CB -0.715 29.583 30.300 -0.003 0.000 0.879 252 R HN 1.776 nan 8.270 nan 0.000 0.439 253 G N 0.290 109.095 108.800 0.008 0.000 2.370 253 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.268 253 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.268 253 G C 0.549 175.455 174.900 0.010 0.000 1.122 253 G CA 0.188 45.300 45.100 0.019 0.000 0.963 253 G HN 0.513 nan 8.290 nan 0.000 0.500 254 G N -0.795 107.997 108.800 -0.013 0.000 3.189 254 G HA2 0.509 4.469 3.960 -0.000 0.000 0.225 254 G HA3 0.509 4.469 3.960 -0.000 0.000 0.225 254 G C 1.405 176.277 174.900 -0.046 0.000 1.159 254 G CA 1.282 46.360 45.100 -0.038 0.000 0.763 254 G HN 1.509 nan 8.290 nan 0.000 0.549 255 A N 0.399 123.200 122.820 -0.032 0.000 2.206 255 A HA 0.540 4.860 4.320 -0.000 0.000 0.211 255 A C 2.400 179.953 177.584 -0.053 0.000 1.158 255 A CA 1.329 53.342 52.037 -0.040 0.000 0.761 255 A CB -0.075 18.904 19.000 -0.034 0.000 0.801 255 A HN 0.487 nan 8.150 nan 0.000 0.473 256 A N -0.908 121.884 122.820 -0.047 0.000 2.123 256 A HA 0.232 4.552 4.320 -0.000 0.000 0.214 256 A C 1.868 179.405 177.584 -0.078 0.000 1.152 256 A CA 1.116 53.110 52.037 -0.073 0.000 0.728 256 A CB -0.277 18.700 19.000 -0.039 0.000 0.814 256 A HN 0.503 nan 8.150 nan 0.000 0.464 257 L N -0.752 120.424 121.223 -0.078 0.000 2.209 257 L HA 0.112 4.452 4.340 -0.000 0.000 0.207 257 L C 2.094 178.916 176.870 -0.080 0.000 1.094 257 L CA 1.987 56.762 54.840 -0.107 0.000 0.790 257 L CB -0.216 41.729 42.059 -0.189 0.000 0.932 257 L HN 0.194 nan 8.230 nan 0.000 0.447 258 S N -0.542 115.118 115.700 -0.066 0.000 2.561 258 S HA 0.147 4.617 4.470 -0.000 0.000 0.225 258 S C 1.783 176.380 174.600 -0.005 0.000 0.977 258 S CA 0.649 58.831 58.200 -0.030 0.000 0.926 258 S CB -0.046 63.134 63.200 -0.034 0.000 0.769 258 S HN 0.573 nan 8.310 nan 0.000 0.533 259 A N 1.231 124.034 122.820 -0.029 0.000 2.063 259 A HA 0.247 4.567 4.320 -0.000 0.000 0.211 259 A C 1.909 179.471 177.584 -0.038 0.000 1.177 259 A CA 0.229 52.242 52.037 -0.040 0.000 0.759 259 A CB -0.118 18.836 19.000 -0.077 0.000 0.857 259 A HN 0.352 nan 8.150 nan 0.000 0.468 260 R N -1.630 118.850 120.500 -0.033 0.000 2.210 260 R HA -0.008 4.332 4.340 -0.000 0.000 0.203 260 R C 1.770 178.087 176.300 0.029 0.000 1.010 260 R CA 0.833 56.913 56.100 -0.034 0.000 1.008 260 R CB -0.271 29.990 30.300 -0.064 0.000 0.923 260 R HN 0.595 nan 8.270 nan 0.000 0.469 261 H N -0.654 118.392 119.070 -0.040 0.000 2.462 261 H HA -0.019 4.537 4.556 -0.000 0.000 0.292 261 H C 1.571 176.892 175.328 -0.011 0.000 1.049 261 H CA 1.496 57.535 56.048 -0.015 0.000 1.334 261 H CB 0.358 30.118 29.762 -0.004 0.000 1.404 261 H HN 0.061 nan 8.280 nan 0.000 0.544 262 V N -0.506 119.404 119.914 -0.006 0.000 2.949 262 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 262 V C 2.137 178.201 176.094 -0.050 0.000 1.086 262 V CA 1.704 63.978 62.300 -0.044 0.000 1.097 262 V CB -0.113 31.713 31.823 0.004 0.000 0.762 262 V HN 0.758 nan 8.190 nan 0.000 0.470 263 T N -3.112 111.418 114.554 -0.040 0.000 2.925 263 T HA 0.269 4.619 4.350 -0.000 0.000 0.245 263 T C 1.692 176.360 174.700 -0.054 0.000 1.025 263 T CA 1.198 63.272 62.100 -0.042 0.000 1.149 263 T CB 0.047 68.890 68.868 -0.041 0.000 0.866 263 T HN 1.349 nan 8.240 nan 0.000 0.437 264 G N 1.537 110.301 108.800 -0.060 0.000 2.141 264 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.231 264 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.231 264 G C -0.128 174.730 174.900 -0.069 0.000 0.984 264 G CA -0.122 44.942 45.100 -0.060 0.000 0.660 264 G HN 0.628 nan 8.290 nan 0.000 0.525 265 K N 1.312 121.658 120.400 -0.090 0.000 2.185 265 K HA 0.491 4.811 4.320 -0.000 0.000 0.269 265 K C -2.161 174.309 176.600 -0.217 0.000 0.987 265 K CA -1.937 54.276 56.287 -0.124 0.000 0.865 265 K CB 2.272 34.711 32.500 -0.101 0.000 1.090 265 K HN 0.201 nan 8.250 nan 0.000 0.450 266 P HA 0.209 nan 4.420 nan 0.000 0.272 266 P C -0.188 176.650 177.300 -0.770 0.000 1.230 266 P CA -0.249 62.567 63.100 -0.474 0.000 0.788 266 P CB 0.671 32.098 31.700 -0.455 0.000 0.949 267 I N 1.845 121.990 120.570 -0.709 0.000 2.365 267 I HA 0.129 4.299 4.170 -0.000 0.000 0.291 267 I C 0.979 176.623 176.117 -0.790 0.000 1.004 267 I CA -0.315 60.504 61.300 -0.801 0.000 1.311 267 I CB 0.516 37.866 38.000 -1.082 0.000 1.401 267 I HN 0.342 nan 8.210 nan 0.000 0.491 268 Y N 4.290 124.372 120.300 -0.363 0.000 2.447 268 Y HA 0.319 4.869 4.550 -0.000 0.000 0.286 268 Y C 0.449 176.049 175.900 -0.499 0.000 1.153 268 Y CA 0.177 58.038 58.100 -0.397 0.000 1.241 268 Y CB -0.076 38.164 38.460 -0.366 0.000 1.284 268 Y HN 0.268 nan 8.280 nan 0.000 0.520 269 F N -0.660 119.329 119.950 0.065 0.000 2.557 269 F HA 0.726 5.253 4.527 -0.000 0.000 0.336 269 F C -0.097 175.737 175.800 0.057 0.000 1.058 269 F CA -1.414 56.611 58.000 0.042 0.000 0.988 269 F CB 1.407 40.421 39.000 0.024 0.000 1.275 269 F HN -0.160 nan 8.300 nan 0.000 0.488 270 A N 0.262 123.269 122.820 0.312 0.000 2.488 270 A HA 0.719 5.039 4.320 -0.000 0.000 0.298 270 A C -0.827 176.838 177.584 0.134 0.000 1.044 270 A CA -0.493 51.683 52.037 0.232 0.000 0.693 270 A CB 1.175 20.350 19.000 0.292 0.000 1.272 270 A HN 0.959 nan 8.150 nan 0.000 0.402 271 G N 0.178 109.035 108.800 0.095 0.000 2.368 271 G HA2 0.551 4.511 3.960 -0.000 0.000 0.320 271 G HA3 0.551 4.511 3.960 -0.000 0.000 0.320 271 G C 0.425 175.354 174.900 0.048 0.000 1.158 271 G CA 0.126 45.257 45.100 0.052 0.000 0.912 271 G HN 1.655 nan 8.290 nan 0.000 0.456 272 V N -0.490 119.447 119.914 0.039 0.000 3.645 272 V HA 0.459 4.579 4.120 -0.000 0.000 0.275 272 V C 0.849 176.959 176.094 0.027 0.000 1.356 272 V CA 0.661 62.983 62.300 0.036 0.000 1.051 272 V CB 0.087 31.935 31.823 0.042 0.000 0.828 272 V HN 0.613 nan 8.190 nan 0.000 0.441 273 S N 0.385 116.098 115.700 0.022 0.000 2.651 273 S HA 0.449 4.919 4.470 -0.000 0.000 0.279 273 S C 0.374 174.982 174.600 0.013 0.000 1.148 273 S CA 0.220 58.431 58.200 0.017 0.000 0.837 273 S CB 2.201 65.412 63.200 0.018 0.000 1.138 273 S HN 0.564 nan 8.310 nan 0.000 0.478 274 E N 0.907 121.113 120.200 0.011 0.000 2.442 274 E HA 0.241 4.591 4.350 -0.000 0.000 0.195 274 E C -0.001 176.603 176.600 0.007 0.000 1.030 274 E CA 0.407 56.811 56.400 0.008 0.000 0.869 274 E CB 0.006 29.710 29.700 0.007 0.000 0.857 274 E HN 0.279 nan 8.360 nan 0.000 0.505 275 K N 1.193 121.599 120.400 0.009 0.000 2.185 275 K HA 0.143 4.463 4.320 -0.000 0.000 0.271 275 K C -1.888 174.718 176.600 0.009 0.000 1.013 275 K CA -1.989 54.303 56.287 0.009 0.000 0.943 275 K CB 0.807 33.314 32.500 0.013 0.000 0.998 275 K HN -0.144 nan 8.250 nan 0.000 0.468 276 P HA -0.109 nan 4.420 nan 0.000 0.228 276 P C -0.070 177.241 177.300 0.019 0.000 1.151 276 P CA 1.044 64.150 63.100 0.009 0.000 0.770 276 P CB 0.339 32.045 31.700 0.009 0.000 0.786 277 E N -1.117 119.098 120.200 0.025 0.000 2.385 277 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 277 E C 1.456 178.081 176.600 0.041 0.000 1.013 277 E CA 0.255 56.679 56.400 0.040 0.000 0.866 277 E CB -0.622 29.100 29.700 0.037 0.000 0.832 277 E HN 0.075 nan 8.360 nan 0.000 0.500 278 G N 1.318 110.132 108.800 0.024 0.000 2.985 278 G HA2 0.389 4.349 3.960 -0.000 0.000 0.282 278 G HA3 0.389 4.349 3.960 -0.000 0.000 0.282 278 G C -0.871 174.030 174.900 0.001 0.000 0.791 278 G CA -0.145 44.967 45.100 0.021 0.000 1.934 278 G HN 0.021 nan 8.290 nan 0.000 0.563 279 L N 1.408 122.620 121.223 -0.018 0.000 2.516 279 L HA 0.587 4.927 4.340 -0.000 0.000 0.267 279 L C -0.706 176.092 176.870 -0.120 0.000 0.957 279 L CA -0.701 54.082 54.840 -0.096 0.000 0.860 279 L CB 2.016 43.938 42.059 -0.228 0.000 1.265 279 L HN 0.627 nan 8.230 nan 0.000 0.403 280 E N 4.362 124.533 120.200 -0.047 0.000 2.340 280 E HA 0.695 5.045 4.350 -0.000 0.000 0.273 280 E C -2.877 173.699 176.600 -0.040 0.000 0.891 280 E CA -2.325 54.069 56.400 -0.011 0.000 0.757 280 E CB 1.716 31.473 29.700 0.095 0.000 1.231 280 E HN 0.244 nan 8.360 nan 0.000 0.439 281 P HA 0.002 nan 4.420 nan 0.000 0.269 281 P C -1.061 175.929 177.300 -0.515 0.000 1.215 281 P CA -0.207 62.694 63.100 -0.331 0.000 0.780 281 P CB 0.261 31.738 31.700 -0.372 0.000 0.898 282 F N 2.726 122.393 119.950 -0.473 0.000 2.506 282 F HA 0.182 4.709 4.527 -0.000 0.000 0.371 282 F C -0.349 175.215 175.800 -0.393 0.000 1.078 282 F CA 0.396 58.190 58.000 -0.344 0.000 1.195 282 F CB -0.162 38.708 39.000 -0.217 0.000 1.099 282 F HN 0.212 nan 8.300 nan 0.000 0.548 283 Y N 7.388 127.410 120.300 -0.464 0.000 2.356 283 Y HA 0.327 4.877 4.550 -0.000 0.000 0.334 283 Y C -1.727 173.867 175.900 -0.510 0.000 0.958 283 Y CA -2.678 55.220 58.100 -0.335 0.000 1.196 283 Y CB 0.879 39.208 38.460 -0.219 0.000 1.137 283 Y HN 0.475 nan 8.280 nan 0.000 0.485 284 P HA -0.064 nan 4.420 nan 0.000 0.242 284 P C 1.015 178.217 177.300 -0.164 0.000 1.197 284 P CA 0.953 63.962 63.100 -0.151 0.000 0.765 284 P CB 0.455 32.155 31.700 -0.001 0.000 0.936 285 E N -0.554 119.570 120.200 -0.127 0.000 2.307 285 E HA -0.006 4.344 4.350 -0.000 0.000 0.195 285 E C 2.052 178.587 176.600 -0.108 0.000 0.975 285 E CA 0.070 56.385 56.400 -0.141 0.000 0.878 285 E CB 0.114 29.773 29.700 -0.068 0.000 0.845 285 E HN -0.015 nan 8.360 nan 0.000 0.488 286 R N 0.109 120.545 120.500 -0.107 0.000 2.093 286 R HA -0.006 4.334 4.340 -0.000 0.000 0.224 286 R C 2.066 178.309 176.300 -0.096 0.000 1.101 286 R CA 0.535 56.584 56.100 -0.085 0.000 0.979 286 R CB 0.056 30.313 30.300 -0.071 0.000 0.877 286 R HN 0.158 nan 8.270 nan 0.000 0.441 287 L N 0.267 121.387 121.223 -0.172 0.000 2.492 287 L HA 0.146 4.486 4.340 -0.000 0.000 0.223 287 L C 1.874 178.691 176.870 -0.088 0.000 1.132 287 L CA 0.836 55.595 54.840 -0.136 0.000 0.850 287 L CB 0.162 42.104 42.059 -0.195 0.000 0.966 287 L HN 0.164 nan 8.230 nan 0.000 0.454 288 A N -1.137 121.610 122.820 -0.120 0.000 2.119 288 A HA 0.142 4.462 4.320 -0.000 0.000 0.216 288 A C 1.970 179.578 177.584 0.040 0.000 1.152 288 A CA 1.026 52.981 52.037 -0.137 0.000 0.708 288 A CB -0.599 18.137 19.000 -0.439 0.000 0.805 288 A HN 0.410 nan 8.150 nan 0.000 0.460 289 G N -1.713 107.136 108.800 0.081 0.000 3.324 289 G HA2 0.223 4.183 3.960 -0.000 0.000 0.251 289 G HA3 0.223 4.183 3.960 -0.000 0.000 0.251 289 G C 1.218 176.153 174.900 0.059 0.000 1.072 289 G CA 0.302 45.485 45.100 0.138 0.000 0.787 289 G HN 0.418 nan 8.290 nan 0.000 0.537 290 R N -0.393 120.121 120.500 0.024 0.000 2.167 290 R HA 0.331 4.671 4.340 -0.000 0.000 0.201 290 R C 1.958 178.263 176.300 0.008 0.000 1.024 290 R CA 0.072 56.178 56.100 0.010 0.000 1.053 290 R CB 0.055 30.352 30.300 -0.005 0.000 0.987 290 R HN 0.324 nan 8.270 nan 0.000 0.493 291 I N 0.825 121.396 120.570 0.001 0.000 2.406 291 I HA -0.181 3.989 4.170 -0.000 0.000 0.249 291 I C 1.640 177.761 176.117 0.006 0.000 1.122 291 I CA 1.013 62.307 61.300 -0.009 0.000 1.431 291 I CB 0.071 38.048 38.000 -0.037 0.000 1.087 291 I HN 0.149 nan 8.210 nan 0.000 0.424 292 L N 0.222 121.463 121.223 0.030 0.000 2.509 292 L HA 0.189 4.529 4.340 -0.000 0.000 0.222 292 L C 1.313 178.208 176.870 0.041 0.000 1.123 292 L CA -0.081 54.789 54.840 0.050 0.000 0.856 292 L CB -0.512 41.604 42.059 0.095 0.000 0.985 292 L HN 0.216 nan 8.230 nan 0.000 0.456 293 G N -0.755 108.065 108.800 0.034 0.000 2.938 293 G HA2 0.818 4.778 3.960 -0.000 0.000 0.258 293 G HA3 0.818 4.778 3.960 -0.000 0.000 0.258 293 G C -0.722 174.186 174.900 0.014 0.000 1.356 293 G CA 0.464 45.578 45.100 0.024 0.000 1.052 293 G HN -0.019 nan 8.290 nan 0.000 0.550 294 M N 0.000 119.606 119.600 0.011 0.000 2.572 294 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 294 M CA 0.000 nan 55.300 nan 0.000 0.988 294 M CB 0.000 nan 32.600 nan 0.000 1.302 294 M HN 0.000 nan 8.290 nan 0.000 0.411