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 1gkp_1_A DATA FIRST_RESID 2 DATA SEQUENCE PLLIKNGEII TADSRYKADI YAEGETITRI GQNLEAPPGT EVIDATGKYV DATA SEQUENCE FPGFIDPHVH IYLPFMATFA KDTHETGSKA ALMGGTTTYI EMCCPSRNDD DATA SEQUENCE ALEGYQLWKS KAEGNSYCDY TFHMAVSKFD EKTEGQLREI VADGISSFXI DATA SEQUENCE FLSYKNFFGV DDGEMYQTLR LAKELGVIVT AHCENAELVG RLQQKLLSEG DATA SEQUENCE KTGPEWHEPS RPEAVEAEGT ARFATFLETT GATGYVVHLS CKPALDAAMA DATA SEQUENCE AKARGVPIYI ESVIPHFLLD KTYAERGGVE AMKYIMSPPL RDKRNQKVLW DATA SEQUENCE DALAQGFIDT VGTDHCPFDT EQKLLGKEAF TAIPNGIPAI EDRVNLLYTY DATA SEQUENCE GVSRGRLDIH RFVDAASTKA AKLFGLFPRK GTIAVGSDAD LVVYDPQYRG DATA SEQUENCE TISVKTQHVN NDYNGFEGFE IDGRPSVVTV RGKVAVRDGQ FVGEKGWGKL DATA SEQUENCE LRREPMYF 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.297 177.300 -0.005 0.000 1.155 2 P CA 0.000 63.092 63.100 -0.013 0.000 0.800 2 P CB 0.000 31.785 31.700 0.141 0.000 0.726 3 L N 1.290 122.468 121.223 -0.076 0.000 2.385 3 L HA 0.827 5.167 4.340 -0.000 0.000 0.273 3 L C -1.772 175.128 176.870 0.050 0.000 0.990 3 L CA -0.653 54.172 54.840 -0.025 0.000 0.821 3 L CB 1.876 43.897 42.059 -0.064 0.000 1.279 3 L HN 0.433 nan 8.230 nan 0.000 0.412 4 L N 6.183 127.474 121.223 0.113 0.000 2.376 4 L HA 0.617 4.957 4.340 -0.000 0.000 0.275 4 L C -1.366 175.546 176.870 0.070 0.000 0.987 4 L CA -0.121 54.812 54.840 0.155 0.000 0.828 4 L CB 1.502 43.664 42.059 0.171 0.000 1.249 4 L HN 0.532 nan 8.230 nan 0.000 0.409 5 I N 5.942 126.545 120.570 0.055 0.000 2.330 5 I HA 0.339 4.509 4.170 -0.000 0.000 0.286 5 I C -0.231 175.900 176.117 0.024 0.000 1.025 5 I CA -0.620 60.694 61.300 0.024 0.000 1.197 5 I CB 0.843 38.849 38.000 0.009 0.000 1.358 5 I HN 0.632 nan 8.210 nan 0.000 0.467 6 K N 5.027 125.437 120.400 0.017 0.000 2.166 6 K HA 0.561 4.881 4.320 -0.000 0.000 0.245 6 K C 0.200 176.799 176.600 -0.001 0.000 0.967 6 K CA -0.692 55.604 56.287 0.014 0.000 0.863 6 K CB 1.255 33.764 32.500 0.016 0.000 1.107 6 K HN 0.404 nan 8.250 nan 0.000 0.436 7 N N -1.497 117.202 118.700 -0.000 0.000 2.936 7 N HA -0.143 4.597 4.740 -0.000 0.000 0.236 7 N C 0.025 175.526 175.510 -0.016 0.000 0.930 7 N CA 1.478 54.525 53.050 -0.005 0.000 0.966 7 N CB -1.618 36.866 38.487 -0.006 0.000 1.090 7 N HN 0.920 nan 8.380 nan 0.000 0.592 8 G N 0.264 109.046 108.800 -0.030 0.000 2.537 8 G HA2 0.407 4.367 3.960 -0.000 0.000 0.273 8 G HA3 0.407 4.367 3.960 -0.000 0.000 0.273 8 G C -0.429 174.433 174.900 -0.064 0.000 1.189 8 G CA -0.292 44.782 45.100 -0.045 0.000 0.881 8 G HN 0.230 nan 8.290 nan 0.000 0.535 9 E N 0.611 120.786 120.200 -0.040 0.000 2.055 9 E HA 0.254 4.604 4.350 -0.000 0.000 0.274 9 E C -0.110 176.392 176.600 -0.164 0.000 0.949 9 E CA -0.448 55.914 56.400 -0.062 0.000 0.775 9 E CB 0.500 30.239 29.700 0.066 0.000 1.097 9 E HN 0.290 nan 8.360 nan 0.000 0.404 10 I N 6.279 126.635 120.570 -0.358 0.000 2.452 10 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 10 I C 0.012 175.970 176.117 -0.265 0.000 1.079 10 I CA 0.087 61.136 61.300 -0.419 0.000 1.387 10 I CB 0.456 37.969 38.000 -0.812 0.000 1.404 10 I HN 0.455 nan 8.210 nan 0.000 0.522 11 I N 6.265 126.776 120.570 -0.098 0.000 2.439 11 I HA 0.320 4.490 4.170 -0.000 0.000 0.285 11 I C 0.240 176.509 176.117 0.253 0.000 1.021 11 I CA -0.355 60.998 61.300 0.088 0.000 1.091 11 I CB 1.920 39.932 38.000 0.020 0.000 1.242 11 I HN 0.587 nan 8.210 nan 0.000 0.439 12 T N 1.624 116.343 114.554 0.276 0.000 2.804 12 T HA 0.609 4.959 4.350 -0.000 0.000 0.272 12 T C 1.089 175.979 174.700 0.318 0.000 0.986 12 T CA -0.102 62.144 62.100 0.242 0.000 0.999 12 T CB 1.750 70.733 68.868 0.191 0.000 1.307 12 T HN 0.477 nan 8.240 nan 0.000 0.586 13 A N 0.479 123.425 122.820 0.210 0.000 2.070 13 A HA 0.068 4.388 4.320 -0.000 0.000 0.220 13 A C 1.403 179.063 177.584 0.126 0.000 1.159 13 A CA 1.764 53.923 52.037 0.204 0.000 0.656 13 A CB -0.868 18.192 19.000 0.099 0.000 0.800 13 A HN 0.941 nan 8.150 nan 0.000 0.453 14 D N -1.661 118.788 120.400 0.083 0.000 2.673 14 D HA 0.197 4.837 4.640 -0.000 0.000 0.278 14 D C -0.216 176.081 176.300 -0.004 0.000 1.393 14 D CA 0.505 54.483 54.000 -0.037 0.000 0.805 14 D CB -0.515 40.285 40.800 -0.001 0.000 1.110 14 D HN 0.295 nan 8.370 nan 0.000 0.476 15 S N -0.793 114.973 115.700 0.110 0.000 2.547 15 S HA 0.713 5.183 4.470 -0.000 0.000 0.270 15 S C -0.997 173.828 174.600 0.375 0.000 1.150 15 S CA -1.101 57.233 58.200 0.223 0.000 0.850 15 S CB 2.526 65.895 63.200 0.283 0.000 1.118 15 S HN 0.238 nan 8.310 nan 0.000 0.461 16 R N 1.183 121.928 120.500 0.409 0.000 2.659 16 R HA 0.551 4.891 4.340 -0.000 0.000 0.290 16 R C -2.138 174.369 176.300 0.344 0.000 1.253 16 R CA -0.541 55.745 56.100 0.311 0.000 1.010 16 R CB 0.840 31.310 30.300 0.283 0.000 1.236 16 R HN 0.961 nan 8.270 nan 0.000 0.413 17 Y N -0.160 120.179 120.300 0.065 0.000 2.641 17 Y HA 0.442 4.992 4.550 -0.000 0.000 0.333 17 Y C -1.782 174.146 175.900 0.047 0.000 1.174 17 Y CA -1.390 56.742 58.100 0.052 0.000 1.057 17 Y CB 1.185 39.672 38.460 0.045 0.000 1.322 17 Y HN 0.245 nan 8.280 nan 0.000 0.457 18 K N 2.044 122.509 120.400 0.108 0.000 2.281 18 K HA 0.870 5.190 4.320 -0.000 0.000 0.272 18 K C -0.842 175.816 176.600 0.098 0.000 1.048 18 K CA -0.352 55.948 56.287 0.021 0.000 0.898 18 K CB 1.289 33.817 32.500 0.048 0.000 1.128 18 K HN 0.913 nan 8.250 nan 0.000 0.460 19 A N 2.858 125.695 122.820 0.028 0.000 2.536 19 A HA 0.471 4.791 4.320 -0.000 0.000 0.293 19 A C -1.682 175.932 177.584 0.049 0.000 1.119 19 A CA -0.966 51.139 52.037 0.112 0.000 0.654 19 A CB 1.102 20.284 19.000 0.303 0.000 1.291 19 A HN 0.547 nan 8.150 nan 0.000 0.439 20 D N -0.105 120.341 120.400 0.076 0.000 2.268 20 D HA 0.676 5.316 4.640 -0.000 0.000 0.249 20 D C -0.771 175.582 176.300 0.090 0.000 1.008 20 D CA 0.127 54.164 54.000 0.061 0.000 0.939 20 D CB 1.575 42.411 40.800 0.060 0.000 1.170 20 D HN 0.428 nan 8.370 nan 0.000 0.468 21 I N 1.347 121.967 120.570 0.083 0.000 2.466 21 I HA 0.217 4.387 4.170 -0.000 0.000 0.289 21 I C -1.272 174.928 176.117 0.138 0.000 1.026 21 I CA -0.987 60.371 61.300 0.097 0.000 1.078 21 I CB 1.584 39.614 38.000 0.051 0.000 1.249 21 I HN 0.209 nan 8.210 nan 0.000 0.429 22 Y N 6.330 126.642 120.300 0.020 0.000 2.364 22 Y HA 0.782 5.332 4.550 -0.000 0.000 0.340 22 Y C -0.763 175.146 175.900 0.015 0.000 0.975 22 Y CA -1.116 56.993 58.100 0.014 0.000 1.089 22 Y CB 1.782 40.249 38.460 0.013 0.000 1.192 22 Y HN 0.566 nan 8.280 nan 0.000 0.454 23 A N 5.981 128.350 122.820 -0.752 0.000 2.311 23 A HA 0.362 4.681 4.320 -0.000 0.000 0.306 23 A C 0.761 177.804 177.584 -0.902 0.000 1.189 23 A CA -0.575 51.086 52.037 -0.628 0.000 0.791 23 A CB 0.903 19.735 19.000 -0.280 0.000 1.172 23 A HN 0.868 nan 8.150 nan 0.000 0.481 24 E N 2.536 122.315 120.200 -0.702 0.000 2.077 24 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 24 E C 1.040 177.540 176.600 -0.167 0.000 0.989 24 E CA 2.162 58.363 56.400 -0.332 0.000 0.800 24 E CB 0.197 29.864 29.700 -0.056 0.000 0.746 24 E HN 0.820 nan 8.360 nan 0.000 0.452 25 G N -0.304 108.416 108.800 -0.133 0.000 3.193 25 G HA2 0.085 4.045 3.960 -0.000 0.000 0.186 25 G HA3 0.085 4.045 3.960 -0.000 0.000 0.186 25 G C 0.769 175.658 174.900 -0.018 0.000 1.536 25 G CA 0.064 45.137 45.100 -0.045 0.000 0.943 25 G HN 0.119 nan 8.290 nan 0.000 0.781 26 E N 0.235 120.444 120.200 0.015 0.000 2.385 26 E HA 0.140 4.489 4.350 -0.000 0.000 0.194 26 E C 0.481 177.075 176.600 -0.010 0.000 1.013 26 E CA 0.809 57.234 56.400 0.041 0.000 0.866 26 E CB 0.427 30.153 29.700 0.044 0.000 0.832 26 E HN 0.434 nan 8.360 nan 0.000 0.500 27 T N -1.703 112.826 114.554 -0.042 0.000 2.924 27 T HA 0.510 4.860 4.350 -0.000 0.000 0.291 27 T C 0.099 174.753 174.700 -0.077 0.000 1.045 27 T CA -0.858 61.210 62.100 -0.054 0.000 1.015 27 T CB 1.644 70.481 68.868 -0.052 0.000 1.103 27 T HN -0.112 nan 8.240 nan 0.000 0.496 28 I N 2.231 122.764 120.570 -0.061 0.000 2.618 28 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 28 I C 1.191 177.284 176.117 -0.040 0.000 1.146 28 I CA -0.081 61.185 61.300 -0.057 0.000 1.425 28 I CB 0.885 38.873 38.000 -0.020 0.000 1.383 28 I HN 0.862 nan 8.210 nan 0.000 0.562 29 T N 5.258 119.789 114.554 -0.038 0.000 3.046 29 T HA 0.137 4.487 4.350 -0.000 0.000 0.242 29 T C 0.346 175.101 174.700 0.093 0.000 1.018 29 T CA 0.261 62.379 62.100 0.029 0.000 1.131 29 T CB 0.218 69.115 68.868 0.048 0.000 0.904 29 T HN 0.654 nan 8.240 nan 0.000 0.459 30 R N 0.094 120.677 120.500 0.137 0.000 2.680 30 R HA 0.725 5.065 4.340 -0.000 0.000 0.269 30 R C -2.061 174.316 176.300 0.129 0.000 1.026 30 R CA -0.865 55.312 56.100 0.128 0.000 0.889 30 R CB 1.245 31.628 30.300 0.139 0.000 1.241 30 R HN 0.080 nan 8.270 nan 0.000 0.463 31 I N 0.584 121.216 120.570 0.104 0.000 2.582 31 I HA 0.771 4.941 4.170 -0.000 0.000 0.292 31 I C -0.011 176.169 176.117 0.105 0.000 1.066 31 I CA -0.570 60.804 61.300 0.124 0.000 1.053 31 I CB 2.362 40.454 38.000 0.153 0.000 1.241 31 I HN 1.052 nan 8.210 nan 0.000 0.421 32 G N 4.604 113.472 108.800 0.114 0.000 2.360 32 G HA2 0.238 4.198 3.960 -0.000 0.000 0.276 32 G HA3 0.238 4.198 3.960 -0.000 0.000 0.276 32 G C -2.094 172.853 174.900 0.077 0.000 1.256 32 G CA -0.580 44.571 45.100 0.086 0.000 0.890 32 G HN 0.345 nan 8.290 nan 0.000 0.486 33 Q N 0.841 120.671 119.800 0.052 0.000 2.301 33 Q HA 0.464 4.804 4.340 -0.000 0.000 0.267 33 Q C -0.282 175.729 176.000 0.018 0.000 1.035 33 Q CA -0.936 54.890 55.803 0.038 0.000 0.856 33 Q CB 1.308 30.066 28.738 0.034 0.000 1.337 33 Q HN 0.640 nan 8.270 nan 0.000 0.450 34 N N 1.515 120.220 118.700 0.008 0.000 2.667 34 N HA -0.189 4.551 4.740 -0.000 0.000 0.263 34 N C 0.356 175.849 175.510 -0.028 0.000 1.038 34 N CA 0.312 53.356 53.050 -0.011 0.000 0.749 34 N CB -0.760 37.721 38.487 -0.012 0.000 0.892 34 N HN 0.610 nan 8.380 nan 0.000 0.546 35 L N 0.361 121.562 121.223 -0.037 0.000 2.376 35 L HA -0.044 4.295 4.340 -0.000 0.000 0.219 35 L C 0.636 177.408 176.870 -0.164 0.000 1.133 35 L CA 0.772 55.566 54.840 -0.076 0.000 0.816 35 L CB -0.243 41.790 42.059 -0.043 0.000 0.933 35 L HN 0.396 nan 8.230 nan 0.000 0.449 36 E N -0.524 119.586 120.200 -0.149 0.000 2.264 36 E HA -0.159 4.191 4.350 -0.000 0.000 0.223 36 E C 0.118 176.550 176.600 -0.281 0.000 1.220 36 E CA 0.118 56.420 56.400 -0.163 0.000 0.692 36 E CB -1.202 28.423 29.700 -0.124 0.000 1.203 36 E HN 0.472 nan 8.360 nan 0.000 0.384 37 A N 1.787 124.421 122.820 -0.310 0.000 2.407 37 A HA 0.471 4.791 4.320 -0.000 0.000 0.248 37 A C -1.269 176.211 177.584 -0.173 0.000 1.082 37 A CA -0.823 50.974 52.037 -0.400 0.000 0.785 37 A CB 0.175 19.061 19.000 -0.191 0.000 1.020 37 A HN 0.147 nan 8.150 nan 0.000 0.489 38 P HA 0.333 nan 4.420 nan 0.000 0.274 38 P C -2.750 174.550 177.300 0.000 0.000 1.246 38 P CA -1.493 61.589 63.100 -0.030 0.000 0.795 38 P CB -0.583 31.127 31.700 0.016 0.000 1.006 39 P HA 0.093 nan 4.420 nan 0.000 0.264 39 P C 1.011 178.319 177.300 0.013 0.000 1.183 39 P CA 1.325 64.426 63.100 0.002 0.000 0.763 39 P CB -0.172 31.527 31.700 -0.002 0.000 0.807 40 G N 1.483 110.289 108.800 0.011 0.000 2.234 40 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.235 40 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.235 40 G C 0.407 175.320 174.900 0.021 0.000 0.997 40 G CA 0.012 45.119 45.100 0.011 0.000 0.623 40 G HN 0.614 nan 8.290 nan 0.000 0.514 41 T N 1.444 116.024 114.554 0.043 0.000 2.908 41 T HA 0.338 4.688 4.350 -0.000 0.000 0.301 41 T C 0.432 175.155 174.700 0.038 0.000 1.019 41 T CA 0.801 62.944 62.100 0.071 0.000 1.152 41 T CB 1.208 70.150 68.868 0.122 0.000 0.966 41 T HN 0.484 nan 8.240 nan 0.000 0.540 42 E N 2.923 123.137 120.200 0.023 0.000 2.257 42 E HA 0.287 4.637 4.350 -0.000 0.000 0.278 42 E C -0.961 175.649 176.600 0.017 0.000 1.049 42 E CA -0.529 55.872 56.400 0.002 0.000 0.876 42 E CB 0.458 30.144 29.700 -0.024 0.000 1.035 42 E HN 0.297 nan 8.360 nan 0.000 0.419 43 V N 6.598 126.518 119.914 0.011 0.000 2.398 43 V HA 0.296 4.416 4.120 -0.000 0.000 0.286 43 V C -0.097 175.997 176.094 0.001 0.000 1.026 43 V CA -0.811 61.499 62.300 0.016 0.000 0.868 43 V CB 1.343 33.175 31.823 0.014 0.000 0.982 43 V HN 0.635 nan 8.190 nan 0.000 0.443 44 I N 3.564 124.136 120.570 0.003 0.000 2.362 44 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 44 I C -0.216 175.897 176.117 -0.007 0.000 0.994 44 I CA -0.426 60.869 61.300 -0.008 0.000 1.158 44 I CB 1.567 39.561 38.000 -0.010 0.000 1.315 44 I HN 0.584 nan 8.210 nan 0.000 0.451 45 D N 5.792 126.183 120.400 -0.014 0.000 2.365 45 D HA 0.382 5.022 4.640 -0.000 0.000 0.237 45 D C 0.584 176.870 176.300 -0.024 0.000 1.190 45 D CA -0.142 53.848 54.000 -0.016 0.000 0.867 45 D CB 1.350 42.140 40.800 -0.016 0.000 1.050 45 D HN 0.628 nan 8.370 nan 0.000 0.491 46 A N 3.374 126.179 122.820 -0.025 0.000 2.415 46 A HA 0.152 4.472 4.320 -0.000 0.000 0.248 46 A C 0.925 178.484 177.584 -0.042 0.000 1.299 46 A CA -0.339 51.676 52.037 -0.037 0.000 0.899 46 A CB -0.292 18.686 19.000 -0.036 0.000 0.997 46 A HN 0.474 nan 8.150 nan 0.000 0.506 47 T N 0.645 115.179 114.554 -0.033 0.000 2.891 47 T HA 0.319 4.669 4.350 -0.000 0.000 0.296 47 T C 1.525 176.195 174.700 -0.049 0.000 1.025 47 T CA 1.616 63.697 62.100 -0.032 0.000 1.149 47 T CB 0.240 69.093 68.868 -0.024 0.000 1.007 47 T HN 1.443 nan 8.240 nan 0.000 0.528 48 G N 2.933 111.703 108.800 -0.049 0.000 2.184 48 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.264 48 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.264 48 G C 0.134 174.944 174.900 -0.150 0.000 0.975 48 G CA 0.526 45.581 45.100 -0.076 0.000 0.642 48 G HN 0.676 nan 8.290 nan 0.000 0.536 49 K N -0.923 119.390 120.400 -0.145 0.000 2.306 49 K HA 0.658 4.978 4.320 -0.000 0.000 0.236 49 K C -0.827 175.692 176.600 -0.134 0.000 1.013 49 K CA -1.035 55.115 56.287 -0.228 0.000 0.857 49 K CB 1.275 33.680 32.500 -0.158 0.000 1.214 49 K HN 0.013 nan 8.250 nan 0.000 0.449 50 Y N 0.125 120.319 120.300 -0.176 0.000 2.352 50 Y HA 0.316 4.866 4.550 -0.000 0.000 0.326 50 Y C 0.084 175.740 175.900 -0.405 0.000 1.166 50 Y CA -1.241 56.635 58.100 -0.374 0.000 1.182 50 Y CB 1.283 39.337 38.460 -0.675 0.000 1.216 50 Y HN 0.073 nan 8.280 nan 0.000 0.474 51 V N 4.843 124.617 119.914 -0.233 0.000 2.350 51 V HA 0.380 4.500 4.120 -0.000 0.000 0.285 51 V C -0.799 175.197 176.094 -0.164 0.000 1.014 51 V CA -0.825 61.376 62.300 -0.165 0.000 0.831 51 V CB 0.355 32.119 31.823 -0.099 0.000 1.000 51 V HN 0.431 nan 8.190 nan 0.000 0.433 52 F N 5.214 125.193 119.950 0.048 0.000 2.523 52 F HA 0.687 5.214 4.527 -0.000 0.000 0.329 52 F C -2.151 173.533 175.800 -0.193 0.000 1.061 52 F CA -2.969 54.993 58.000 -0.062 0.000 0.967 52 F CB 1.465 40.436 39.000 -0.050 0.000 1.218 52 F HN 0.273 nan 8.300 nan 0.000 0.480 53 P HA 0.108 nan 4.420 nan 0.000 0.267 53 P C -0.065 176.981 177.300 -0.423 0.000 1.200 53 P CA -0.235 62.747 63.100 -0.197 0.000 0.772 53 P CB 0.292 31.880 31.700 -0.185 0.000 0.855 54 G N 2.239 110.901 108.800 -0.230 0.000 2.321 54 G HA2 0.114 4.074 3.960 -0.000 0.000 0.237 54 G HA3 0.114 4.074 3.960 -0.000 0.000 0.237 54 G C -0.515 174.202 174.900 -0.305 0.000 1.282 54 G CA -0.229 44.756 45.100 -0.191 0.000 0.886 54 G HN 0.251 nan 8.290 nan 0.000 0.528 55 F N 0.411 120.368 119.950 0.011 0.000 2.380 55 F HA 0.554 5.081 4.527 -0.000 0.000 0.325 55 F C 0.924 176.730 175.800 0.010 0.000 1.136 55 F CA -0.262 57.712 58.000 -0.042 0.000 1.171 55 F CB 1.270 40.217 39.000 -0.089 0.000 1.230 55 F HN 0.169 nan 8.300 nan 0.000 0.554 56 I N 1.467 122.149 120.570 0.186 0.000 2.478 56 I HA 0.176 4.346 4.170 -0.000 0.000 0.287 56 I C -1.285 174.926 176.117 0.158 0.000 1.042 56 I CA -0.705 60.680 61.300 0.142 0.000 1.067 56 I CB 1.861 39.922 38.000 0.101 0.000 1.233 56 I HN 0.393 nan 8.210 nan 0.000 0.431 57 D N 8.965 129.465 120.400 0.167 0.000 2.443 57 D HA 0.266 4.906 4.640 -0.000 0.000 0.221 57 D C -1.772 174.640 176.300 0.186 0.000 1.097 57 D CA -2.168 51.938 54.000 0.176 0.000 0.865 57 D CB 1.733 42.627 40.800 0.156 0.000 1.034 57 D HN 0.230 nan 8.370 nan 0.000 0.511 58 P HA -0.022 nan 4.420 nan 0.000 0.249 58 P C -0.441 177.015 177.300 0.259 0.000 1.241 58 P CA 0.296 63.503 63.100 0.178 0.000 0.781 58 P CB -0.111 31.775 31.700 0.310 0.000 1.088 59 H N -0.471 118.691 119.070 0.154 0.000 3.059 59 H HA 0.392 4.948 4.556 -0.000 0.000 0.302 59 H C -1.082 174.313 175.328 0.111 0.000 1.264 59 H CA -0.686 55.446 56.048 0.140 0.000 1.615 59 H CB 1.138 31.006 29.762 0.178 0.000 1.795 59 H HN -0.187 nan 8.280 nan 0.000 0.556 60 V N 1.151 121.230 119.914 0.276 0.000 3.130 60 V HA 0.571 4.691 4.120 -0.000 0.000 0.310 60 V C -1.187 174.907 176.094 0.001 0.000 1.158 60 V CA -0.789 61.630 62.300 0.197 0.000 1.029 60 V CB 2.603 34.530 31.823 0.173 0.000 1.057 60 V HN 0.685 nan 8.190 nan 0.000 0.436 61 H N 2.797 122.038 119.070 0.285 0.000 2.727 61 H HA 0.574 5.130 4.556 -0.000 0.000 0.330 61 H C -0.356 175.069 175.328 0.162 0.000 0.986 61 H CA -0.436 55.764 56.048 0.252 0.000 1.251 61 H CB 2.050 31.912 29.762 0.167 0.000 1.493 61 H HN 0.545 nan 8.280 nan 0.000 0.515 62 I N 1.368 122.106 120.570 0.280 0.000 3.904 62 I HA -0.052 4.118 4.170 -0.000 0.000 0.235 62 I C 0.617 176.786 176.117 0.087 0.000 1.062 62 I CA 0.139 61.460 61.300 0.034 0.000 1.574 62 I CB -0.649 37.187 38.000 -0.274 0.000 1.503 62 I HN 0.385 nan 8.210 nan 0.000 0.463 63 Y N 3.399 123.735 120.300 0.060 0.000 2.436 63 Y HA 0.448 4.998 4.550 -0.000 0.000 0.336 63 Y C -0.744 175.292 175.900 0.227 0.000 1.049 63 Y CA -0.711 57.365 58.100 -0.040 0.000 1.294 63 Y CB 0.551 38.738 38.460 -0.455 0.000 1.179 63 Y HN 0.136 nan 8.280 nan 0.000 0.520 64 L N 10.009 131.028 121.223 -0.341 0.000 2.676 64 L HA 0.515 4.855 4.340 -0.000 0.000 0.262 64 L C -2.873 173.917 176.870 -0.133 0.000 0.965 64 L CA -1.857 52.903 54.840 -0.134 0.000 0.920 64 L CB 1.734 43.852 42.059 0.098 0.000 1.260 64 L HN 0.438 nan 8.230 nan 0.000 0.422 65 P HA 0.265 nan 4.420 nan 0.000 0.269 65 P C -1.588 175.663 177.300 -0.082 0.000 1.209 65 P CA 0.213 63.180 63.100 -0.222 0.000 0.776 65 P CB 0.319 31.937 31.700 -0.136 0.000 0.876 66 F N 4.519 124.249 119.950 -0.366 0.000 2.579 66 F HA 0.398 4.925 4.527 -0.000 0.000 0.325 66 F C 0.664 176.278 175.800 -0.310 0.000 1.162 66 F CA -0.770 57.079 58.000 -0.251 0.000 0.946 66 F CB 0.644 39.566 39.000 -0.131 0.000 1.211 66 F HN 0.391 nan 8.300 nan 0.000 0.447 67 M N 2.968 121.800 119.600 -1.280 0.000 7.319 67 M HA -0.387 4.093 4.480 -0.000 0.000 0.329 67 M C 1.169 177.064 176.300 -0.676 0.000 0.480 67 M CA 2.444 57.103 55.300 -1.069 0.000 1.311 67 M CB -1.432 30.320 32.600 -1.414 0.000 0.421 67 M HN 0.765 nan 8.290 nan 0.000 0.874 68 A N -0.734 121.774 122.820 -0.520 0.000 2.337 68 A HA 0.345 4.665 4.320 -0.000 0.000 0.227 68 A C 0.566 178.003 177.584 -0.245 0.000 1.259 68 A CA 1.163 53.023 52.037 -0.295 0.000 0.870 68 A CB -0.105 18.800 19.000 -0.159 0.000 0.927 68 A HN 0.647 nan 8.150 nan 0.000 0.497 69 T N -1.811 112.559 114.554 -0.308 0.000 2.604 69 T HA 0.747 5.096 4.350 -0.000 0.000 0.267 69 T C -1.617 172.657 174.700 -0.711 0.000 0.923 69 T CA -0.418 61.569 62.100 -0.189 0.000 1.077 69 T CB 0.648 69.617 68.868 0.169 0.000 1.392 69 T HN 0.112 nan 8.240 nan 0.000 0.531 70 F N 0.460 120.536 119.950 0.211 0.000 2.601 70 F HA 0.730 5.257 4.527 -0.000 0.000 0.309 70 F C 0.544 176.393 175.800 0.082 0.000 1.089 70 F CA -1.107 56.975 58.000 0.137 0.000 0.940 70 F CB 1.391 40.429 39.000 0.063 0.000 1.273 70 F HN 0.749 nan 8.300 nan 0.000 0.450 71 A N 2.130 124.962 122.820 0.020 0.000 2.504 71 A HA 0.238 4.558 4.320 -0.000 0.000 0.242 71 A C 1.180 178.626 177.584 -0.230 0.000 1.100 71 A CA -0.060 51.663 52.037 -0.523 0.000 0.786 71 A CB 0.379 19.015 19.000 -0.606 0.000 1.050 71 A HN 0.776 nan 8.150 nan 0.000 0.512 72 K N 0.081 120.287 120.400 -0.322 0.000 2.242 72 K HA 0.057 4.377 4.320 -0.000 0.000 0.200 72 K C -0.163 176.376 176.600 -0.102 0.000 1.050 72 K CA 0.425 56.625 56.287 -0.145 0.000 0.981 72 K CB -0.115 32.301 32.500 -0.140 0.000 0.795 72 K HN 0.701 nan 8.250 nan 0.000 0.477 73 D N 1.804 122.133 120.400 -0.117 0.000 2.341 73 D HA 0.035 4.675 4.640 -0.000 0.000 0.245 73 D C 0.578 176.819 176.300 -0.098 0.000 1.106 73 D CA 0.322 54.275 54.000 -0.078 0.000 0.905 73 D CB 1.311 42.094 40.800 -0.029 0.000 1.202 73 D HN 0.150 nan 8.370 nan 0.000 0.426 74 T N -1.252 113.245 114.554 -0.096 0.000 2.910 74 T HA 0.235 4.585 4.350 -0.000 0.000 0.279 74 T C 1.219 175.791 174.700 -0.213 0.000 0.989 74 T CA -0.335 61.696 62.100 -0.115 0.000 0.968 74 T CB 0.625 69.470 68.868 -0.039 0.000 1.135 74 T HN 0.292 nan 8.240 nan 0.000 0.562 75 H N -0.709 118.343 119.070 -0.030 0.000 2.387 75 H HA 0.031 4.587 4.556 -0.000 0.000 0.299 75 H C 2.274 177.583 175.328 -0.030 0.000 1.090 75 H CA 1.957 57.978 56.048 -0.046 0.000 1.332 75 H CB 0.031 29.747 29.762 -0.075 0.000 1.386 75 H HN 0.838 nan 8.280 nan 0.000 0.516 76 E N 0.087 120.319 120.200 0.053 0.000 2.017 76 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 76 E C 2.234 178.918 176.600 0.140 0.000 0.997 76 E CA 2.128 58.571 56.400 0.071 0.000 0.804 76 E CB 0.051 29.775 29.700 0.040 0.000 0.757 76 E HN 0.604 nan 8.360 nan 0.000 0.448 77 T N -2.448 112.127 114.554 0.035 0.000 2.904 77 T HA -0.006 4.344 4.350 -0.000 0.000 0.267 77 T C 1.922 176.581 174.700 -0.069 0.000 1.059 77 T CA 1.028 63.121 62.100 -0.012 0.000 1.137 77 T CB -0.457 68.397 68.868 -0.024 0.000 0.879 77 T HN 0.235 nan 8.240 nan 0.000 0.467 78 G N 1.543 110.278 108.800 -0.109 0.000 2.394 78 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.215 78 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.215 78 G C 1.991 176.736 174.900 -0.258 0.000 1.165 78 G CA 1.085 46.055 45.100 -0.217 0.000 0.784 78 G HN 0.696 nan 8.290 nan 0.000 0.535 79 S N 0.506 116.131 115.700 -0.126 0.000 2.387 79 S HA -0.048 4.422 4.470 -0.000 0.000 0.226 79 S C 2.095 176.741 174.600 0.077 0.000 1.026 79 S CA 1.631 59.862 58.200 0.051 0.000 0.972 79 S CB -0.241 63.155 63.200 0.327 0.000 0.814 79 S HN 0.426 nan 8.310 nan 0.000 0.477 80 K N 1.751 122.133 120.400 -0.030 0.000 2.032 80 K HA -0.045 4.275 4.320 -0.000 0.000 0.209 80 K C 2.315 178.662 176.600 -0.421 0.000 1.048 80 K CA 1.306 57.270 56.287 -0.537 0.000 0.927 80 K CB -0.702 31.279 32.500 -0.866 0.000 0.712 80 K HN 0.443 nan 8.250 nan 0.000 0.441 81 A N 0.958 123.625 122.820 -0.255 0.000 1.933 81 A HA -0.080 4.239 4.320 -0.000 0.000 0.218 81 A C 2.329 179.834 177.584 -0.131 0.000 1.175 81 A CA 1.794 53.733 52.037 -0.163 0.000 0.628 81 A CB -0.819 18.107 19.000 -0.122 0.000 0.814 81 A HN 0.507 nan 8.150 nan 0.000 0.444 82 A N -0.163 122.579 122.820 -0.131 0.000 1.883 82 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 82 A C 2.191 179.795 177.584 0.034 0.000 1.186 82 A CA 1.625 53.631 52.037 -0.053 0.000 0.624 82 A CB -0.665 18.324 19.000 -0.018 0.000 0.822 82 A HN 0.474 nan 8.150 nan 0.000 0.444 83 L N -1.113 120.147 121.223 0.063 0.000 2.046 83 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 83 L C 2.722 179.644 176.870 0.086 0.000 1.077 83 L CA 0.997 55.915 54.840 0.129 0.000 0.747 83 L CB -0.415 41.782 42.059 0.230 0.000 0.896 83 L HN 0.328 nan 8.230 nan 0.000 0.432 84 M N -0.642 118.952 119.600 -0.010 0.000 2.267 84 M HA -0.101 4.379 4.480 -0.000 0.000 0.263 84 M C 2.020 178.327 176.300 0.011 0.000 1.063 84 M CA 1.520 56.788 55.300 -0.053 0.000 1.090 84 M CB -1.490 30.961 32.600 -0.249 0.000 1.392 84 M HN 0.285 nan 8.290 nan 0.000 0.422 85 G N -1.599 107.222 108.800 0.034 0.000 3.042 85 G HA2 0.340 4.300 3.960 -0.000 0.000 0.212 85 G HA3 0.340 4.300 3.960 -0.000 0.000 0.212 85 G C 1.085 176.057 174.900 0.120 0.000 1.166 85 G CA 0.483 45.620 45.100 0.062 0.000 0.767 85 G HN 0.629 nan 8.290 nan 0.000 0.546 86 G N -0.778 108.124 108.800 0.170 0.000 2.157 86 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.239 86 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.239 86 G C 0.262 175.371 174.900 0.349 0.000 0.982 86 G CA 0.282 45.561 45.100 0.299 0.000 0.650 86 G HN 0.532 nan 8.290 nan 0.000 0.527 87 T N 1.459 116.150 114.554 0.229 0.000 2.738 87 T HA 0.506 4.856 4.350 -0.000 0.000 0.298 87 T C 1.482 176.305 174.700 0.206 0.000 0.962 87 T CA 0.525 62.758 62.100 0.223 0.000 0.972 87 T CB 1.241 70.206 68.868 0.161 0.000 0.928 87 T HN 0.572 nan 8.240 nan 0.000 0.474 88 T N -0.234 114.432 114.554 0.187 0.000 3.022 88 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 88 T C 0.720 175.505 174.700 0.142 0.000 1.060 88 T CA -0.081 62.119 62.100 0.165 0.000 1.013 88 T CB 0.323 69.262 68.868 0.118 0.000 0.982 88 T HN 0.458 nan 8.240 nan 0.000 0.508 89 T N 2.283 116.913 114.554 0.126 0.000 2.886 89 T HA 0.610 4.960 4.350 -0.000 0.000 0.292 89 T C -1.648 173.128 174.700 0.126 0.000 1.012 89 T CA -0.817 61.315 62.100 0.054 0.000 0.982 89 T CB 1.490 70.345 68.868 -0.022 0.000 1.018 89 T HN 0.434 nan 8.240 nan 0.000 0.451 90 Y N 0.576 120.903 120.300 0.045 0.000 2.536 90 Y HA 0.864 5.414 4.550 -0.000 0.000 0.347 90 Y C -1.145 174.730 175.900 -0.042 0.000 1.000 90 Y CA -1.748 56.366 58.100 0.023 0.000 1.051 90 Y CB 0.997 39.481 38.460 0.041 0.000 1.259 90 Y HN 0.473 nan 8.280 nan 0.000 0.468 91 I N 2.736 123.321 120.570 0.026 0.000 2.382 91 I HA 0.292 4.462 4.170 -0.000 0.000 0.286 91 I C -0.520 175.566 176.117 -0.052 0.000 1.002 91 I CA -0.721 60.446 61.300 -0.222 0.000 1.135 91 I CB 1.701 39.361 38.000 -0.567 0.000 1.288 91 I HN 0.750 nan 8.210 nan 0.000 0.448 92 E N 6.843 127.073 120.200 0.051 0.000 2.249 92 E HA 0.303 4.653 4.350 -0.000 0.000 0.280 92 E C -0.561 176.160 176.600 0.202 0.000 1.016 92 E CA -0.883 55.672 56.400 0.258 0.000 0.830 92 E CB 0.979 31.029 29.700 0.583 0.000 1.081 92 E HN 0.414 nan 8.360 nan 0.000 0.395 93 M N 3.920 123.572 119.600 0.086 0.000 2.292 93 M HA 0.050 4.530 4.480 -0.000 0.000 0.342 93 M C -0.191 176.070 176.300 -0.066 0.000 1.538 93 M CA -0.205 55.119 55.300 0.040 0.000 1.163 93 M CB -0.320 32.258 32.600 -0.036 0.000 1.823 93 M HN 0.515 nan 8.290 nan 0.000 0.462 94 C N 5.985 125.119 119.300 -0.277 0.000 2.416 94 C HA 0.336 4.796 4.460 -0.000 0.000 0.355 94 C C 0.556 175.065 174.990 -0.802 0.000 1.211 94 C CA -0.365 58.024 59.018 -1.049 0.000 1.699 94 C CB -1.204 26.121 27.740 -0.692 0.000 2.310 94 C HN 0.899 nan 8.230 nan 0.000 0.539 95 C N 8.867 127.472 119.300 -1.158 0.000 2.792 95 C HA 0.299 4.759 4.460 -0.000 0.000 0.306 95 C C -1.892 173.205 174.990 0.177 0.000 1.462 95 C CA -1.009 57.909 59.018 -0.167 0.000 1.640 95 C CB -1.307 26.519 27.740 0.144 0.000 2.434 95 C HN 0.808 nan 8.230 nan 0.000 0.538 96 P HA 0.118 nan 4.420 nan 0.000 0.268 96 P C 0.275 177.648 177.300 0.122 0.000 1.205 96 P CA 1.075 64.316 63.100 0.235 0.000 0.771 96 P CB 0.962 32.768 31.700 0.177 0.000 0.858 97 S N 2.578 118.230 115.700 -0.081 0.000 2.686 97 S HA 0.244 4.714 4.470 -0.000 0.000 0.270 97 S C 1.432 175.861 174.600 -0.285 0.000 1.194 97 S CA -0.658 57.205 58.200 -0.561 0.000 0.990 97 S CB 0.872 63.709 63.200 -0.606 0.000 1.029 97 S HN 0.493 nan 8.310 nan 0.000 0.560 98 R N 0.420 120.729 120.500 -0.317 0.000 2.200 98 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 98 R C 0.773 177.002 176.300 -0.117 0.000 1.127 98 R CA 1.549 57.543 56.100 -0.176 0.000 0.989 98 R CB -0.485 29.701 30.300 -0.190 0.000 0.869 98 R HN 0.663 nan 8.270 nan 0.000 0.459 99 N N 0.462 119.101 118.700 -0.102 0.000 2.398 99 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 99 N C -0.737 174.764 175.510 -0.016 0.000 1.122 99 N CA 0.500 53.522 53.050 -0.047 0.000 0.866 99 N CB 0.347 38.827 38.487 -0.013 0.000 0.970 99 N HN 0.204 nan 8.380 nan 0.000 0.462 100 D N 0.239 120.632 120.400 -0.012 0.000 2.269 100 D HA 0.105 4.744 4.640 -0.000 0.000 0.244 100 D C -0.623 175.691 176.300 0.023 0.000 0.992 100 D CA -0.457 53.563 54.000 0.033 0.000 0.894 100 D CB 1.673 42.525 40.800 0.087 0.000 1.248 100 D HN -0.026 nan 8.370 nan 0.000 0.468 101 D N -0.165 120.257 120.400 0.037 0.000 2.348 101 D HA 0.305 4.945 4.640 -0.000 0.000 0.253 101 D C 0.906 177.233 176.300 0.045 0.000 1.161 101 D CA -0.382 53.633 54.000 0.025 0.000 0.876 101 D CB 1.151 41.969 40.800 0.029 0.000 1.160 101 D HN 0.319 nan 8.370 nan 0.000 0.459 102 A N 3.780 126.607 122.820 0.012 0.000 1.883 102 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 102 A C 1.885 179.510 177.584 0.068 0.000 1.186 102 A CA 1.073 53.121 52.037 0.018 0.000 0.624 102 A CB -0.703 18.265 19.000 -0.054 0.000 0.822 102 A HN 0.672 nan 8.150 nan 0.000 0.444 103 L N 0.091 121.348 121.223 0.057 0.000 2.093 103 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 103 L C 2.147 179.101 176.870 0.140 0.000 1.085 103 L CA 2.275 57.182 54.840 0.111 0.000 0.755 103 L CB -0.668 41.436 42.059 0.075 0.000 0.904 103 L HN 0.523 nan 8.230 nan 0.000 0.435 104 E N -0.561 119.700 120.200 0.102 0.000 2.118 104 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 104 E C 2.058 178.749 176.600 0.152 0.000 0.992 104 E CA 1.033 57.493 56.400 0.100 0.000 0.804 104 E CB -0.489 29.258 29.700 0.079 0.000 0.741 104 E HN 0.699 nan 8.360 nan 0.000 0.458 105 G N 0.656 109.580 108.800 0.207 0.000 2.421 105 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.216 105 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.216 105 G C 1.390 176.510 174.900 0.366 0.000 1.171 105 G CA 0.883 46.192 45.100 0.348 0.000 0.775 105 G HN 0.269 nan 8.290 nan 0.000 0.543 106 Y N 1.443 121.794 120.300 0.085 0.000 2.114 106 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 106 Y C 2.982 178.895 175.900 0.022 0.000 1.165 106 Y CA 2.346 60.441 58.100 -0.008 0.000 1.148 106 Y CB -0.562 37.882 38.460 -0.027 0.000 0.972 106 Y HN 0.328 nan 8.280 nan 0.000 0.504 107 Q N -0.731 119.027 119.800 -0.068 0.000 2.124 107 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 107 Q C 2.215 178.145 176.000 -0.117 0.000 0.977 107 Q CA 1.598 57.300 55.803 -0.169 0.000 0.850 107 Q CB -0.365 28.348 28.738 -0.042 0.000 0.901 107 Q HN 0.518 nan 8.270 nan 0.000 0.429 108 L N -0.223 120.996 121.223 -0.006 0.000 2.005 108 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 108 L C 1.892 178.691 176.870 -0.118 0.000 1.072 108 L CA 1.732 56.534 54.840 -0.063 0.000 0.744 108 L CB -0.655 41.401 42.059 -0.006 0.000 0.895 108 L HN 0.357 nan 8.230 nan 0.000 0.433 109 W N 0.547 121.741 121.300 -0.177 0.000 2.318 109 W HA -0.260 4.400 4.660 -0.000 0.000 0.313 109 W C 2.569 178.931 176.519 -0.262 0.000 1.221 109 W CA 1.898 59.126 57.345 -0.195 0.000 1.266 109 W CB -0.356 28.899 29.460 -0.340 0.000 1.150 109 W HN 0.252 nan 8.180 nan 0.000 0.496 110 K N 0.241 120.517 120.400 -0.206 0.000 2.103 110 K HA -0.181 4.138 4.320 -0.000 0.000 0.207 110 K C 2.122 178.682 176.600 -0.066 0.000 1.048 110 K CA 1.998 58.230 56.287 -0.092 0.000 0.930 110 K CB -0.503 31.832 32.500 -0.276 0.000 0.716 110 K HN 0.083 nan 8.250 nan 0.000 0.444 111 S N 1.001 116.624 115.700 -0.130 0.000 2.423 111 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 111 S C 1.730 176.236 174.600 -0.157 0.000 1.014 111 S CA 0.879 59.002 58.200 -0.128 0.000 0.965 111 S CB -0.026 63.092 63.200 -0.138 0.000 0.785 111 S HN 0.223 nan 8.310 nan 0.000 0.495 112 K N 1.351 121.624 120.400 -0.211 0.000 2.062 112 K HA 0.185 4.505 4.320 -0.000 0.000 0.205 112 K C 2.480 178.910 176.600 -0.284 0.000 1.051 112 K CA 1.117 57.276 56.287 -0.212 0.000 0.941 112 K CB -0.395 31.979 32.500 -0.210 0.000 0.719 112 K HN 0.495 nan 8.250 nan 0.000 0.440 113 A N 1.483 123.982 122.820 -0.534 0.000 1.970 113 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 113 A C 0.912 178.323 177.584 -0.288 0.000 1.170 113 A CA 0.201 51.757 52.037 -0.801 0.000 0.645 113 A CB -0.211 18.188 19.000 -1.002 0.000 0.816 113 A HN 0.314 nan 8.150 nan 0.000 0.447 114 E N 0.047 120.184 120.200 -0.104 0.000 2.498 114 E HA 0.254 4.603 4.350 -0.000 0.000 0.252 114 E C 1.081 177.667 176.600 -0.023 0.000 1.025 114 E CA 0.541 56.942 56.400 0.001 0.000 0.938 114 E CB -0.266 29.432 29.700 -0.003 0.000 0.947 114 E HN 0.722 nan 8.360 nan 0.000 0.478 115 G N 4.731 113.536 108.800 0.008 0.000 2.184 115 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.264 115 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.264 115 G C 0.546 175.422 174.900 -0.040 0.000 0.975 115 G CA 0.372 45.468 45.100 -0.007 0.000 0.642 115 G HN 0.658 nan 8.290 nan 0.000 0.536 116 N N -0.285 118.376 118.700 -0.065 0.000 2.170 116 N HA 0.219 4.959 4.740 -0.000 0.000 0.222 116 N C 0.085 175.533 175.510 -0.102 0.000 1.218 116 N CA 0.602 53.596 53.050 -0.093 0.000 0.889 116 N CB 1.103 39.556 38.487 -0.057 0.000 1.083 116 N HN 0.333 nan 8.380 nan 0.000 0.520 117 S N -0.381 115.281 115.700 -0.064 0.000 2.475 117 S HA 0.323 4.793 4.470 -0.000 0.000 0.298 117 S C 0.574 175.225 174.600 0.086 0.000 1.119 117 S CA -0.418 57.807 58.200 0.040 0.000 1.085 117 S CB 0.717 63.946 63.200 0.048 0.000 1.028 117 S HN 0.085 nan 8.310 nan 0.000 0.489 118 Y N 2.243 122.699 120.300 0.259 0.000 2.457 118 Y HA 0.110 4.660 4.550 -0.000 0.000 0.292 118 Y C 1.319 177.418 175.900 0.331 0.000 1.125 118 Y CA 0.084 58.376 58.100 0.321 0.000 1.254 118 Y CB -0.199 38.496 38.460 0.391 0.000 1.012 118 Y HN 0.786 nan 8.280 nan 0.000 0.555 119 C N -2.382 117.180 119.300 0.436 0.000 3.108 119 C HA 0.588 5.048 4.460 -0.000 0.000 0.321 119 C C -0.468 174.647 174.990 0.208 0.000 1.357 119 C CA -1.503 57.702 59.018 0.311 0.000 1.562 119 C CB 1.314 29.248 27.740 0.323 0.000 2.003 119 C HN 0.023 nan 8.230 nan 0.000 0.460 120 D N 0.723 121.153 120.400 0.050 0.000 2.357 120 D HA 0.584 5.224 4.640 -0.000 0.000 0.242 120 D C -0.489 175.680 176.300 -0.218 0.000 1.153 120 D CA 0.759 54.695 54.000 -0.107 0.000 0.918 120 D CB 0.520 41.207 40.800 -0.188 0.000 1.181 120 D HN 0.821 nan 8.370 nan 0.000 0.435 121 Y N -2.525 117.473 120.300 -0.504 0.000 2.689 121 Y HA 0.661 5.211 4.550 -0.000 0.000 0.333 121 Y C -0.613 174.908 175.900 -0.630 0.000 1.208 121 Y CA -0.983 56.627 58.100 -0.816 0.000 1.055 121 Y CB 1.219 38.942 38.460 -1.228 0.000 1.304 121 Y HN 0.336 nan 8.280 nan 0.000 0.455 122 T N 0.091 114.272 114.554 -0.623 0.000 2.648 122 T HA 0.734 5.084 4.350 -0.000 0.000 0.304 122 T C -2.276 171.981 174.700 -0.739 0.000 1.312 122 T CA -0.710 60.999 62.100 -0.653 0.000 1.023 122 T CB 0.881 69.514 68.868 -0.391 0.000 1.612 122 T HN 0.535 nan 8.240 nan 0.000 0.487 123 F N 0.983 120.877 119.950 -0.093 0.000 2.593 123 F HA 0.593 5.120 4.527 -0.000 0.000 0.320 123 F C 0.179 175.821 175.800 -0.263 0.000 1.060 123 F CA -0.958 56.977 58.000 -0.108 0.000 0.940 123 F CB 1.525 40.582 39.000 0.096 0.000 1.268 123 F HN 0.438 nan 8.300 nan 0.000 0.475 124 H N 1.912 121.030 119.070 0.081 0.000 2.467 124 H HA 0.357 4.913 4.556 -0.000 0.000 0.326 124 H C -0.717 174.636 175.328 0.041 0.000 1.094 124 H CA -0.713 55.320 56.048 -0.025 0.000 1.253 124 H CB 1.958 31.614 29.762 -0.177 0.000 1.439 124 H HN 0.470 nan 8.280 nan 0.000 0.479 125 M N 2.766 122.488 119.600 0.204 0.000 2.108 125 M HA 0.352 4.832 4.480 -0.000 0.000 0.347 125 M C -0.244 176.099 176.300 0.072 0.000 1.326 125 M CA -0.422 54.940 55.300 0.103 0.000 1.126 125 M CB 0.151 32.801 32.600 0.083 0.000 1.606 125 M HN 0.629 nan 8.290 nan 0.000 0.462 126 A N 4.892 127.735 122.820 0.039 0.000 2.450 126 A HA 0.514 4.834 4.320 -0.000 0.000 0.255 126 A C -0.567 177.048 177.584 0.051 0.000 1.096 126 A CA -0.549 51.561 52.037 0.121 0.000 0.778 126 A CB 0.049 19.223 19.000 0.289 0.000 1.031 126 A HN 0.707 nan 8.150 nan 0.000 0.494 127 V N 3.795 123.738 119.914 0.048 0.000 2.257 127 V HA 0.176 4.296 4.120 -0.000 0.000 0.269 127 V C 0.929 177.095 176.094 0.121 0.000 1.040 127 V CA 0.403 62.694 62.300 -0.016 0.000 0.813 127 V CB 0.530 32.263 31.823 -0.151 0.000 1.065 127 V HN 1.055 nan 8.190 nan 0.000 0.457 128 S N 2.704 118.475 115.700 0.117 0.000 2.577 128 S HA 0.297 4.767 4.470 -0.000 0.000 0.219 128 S C 0.280 174.911 174.600 0.052 0.000 0.962 128 S CA -0.439 57.841 58.200 0.134 0.000 0.921 128 S CB -0.232 62.993 63.200 0.043 0.000 0.789 128 S HN 0.861 nan 8.310 nan 0.000 0.497 129 K N -0.794 119.636 120.400 0.049 0.000 2.685 129 K HA 0.514 4.834 4.320 -0.000 0.000 0.290 129 K C -2.171 174.486 176.600 0.094 0.000 1.018 129 K CA -0.920 55.399 56.287 0.052 0.000 0.860 129 K CB 0.383 32.878 32.500 -0.008 0.000 1.498 129 K HN -0.005 nan 8.250 nan 0.000 0.390 130 F N 2.655 122.602 119.950 -0.005 0.000 2.716 130 F HA 0.306 4.833 4.527 -0.000 0.000 0.354 130 F C -1.390 174.415 175.800 0.007 0.000 1.168 130 F CA -0.308 57.692 58.000 -0.001 0.000 1.045 130 F CB 1.003 40.014 39.000 0.019 0.000 1.311 130 F HN 0.809 nan 8.300 nan 0.000 0.477 131 D N 1.961 122.340 120.400 -0.034 0.000 2.712 131 D HA 0.273 4.913 4.640 -0.000 0.000 0.252 131 D C 0.698 176.980 176.300 -0.031 0.000 1.123 131 D CA -0.315 53.695 54.000 0.016 0.000 1.109 131 D CB 0.525 41.316 40.800 -0.016 0.000 1.313 131 D HN 0.141 nan 8.370 nan 0.000 0.629 132 E N -0.615 119.583 120.200 -0.003 0.000 2.204 132 E HA -0.040 4.310 4.350 -0.000 0.000 0.194 132 E C 1.421 177.993 176.600 -0.047 0.000 0.989 132 E CA 0.983 57.384 56.400 0.002 0.000 0.824 132 E CB -0.108 29.601 29.700 0.016 0.000 0.756 132 E HN 0.454 nan 8.360 nan 0.000 0.477 133 K N -0.615 119.736 120.400 -0.082 0.000 2.361 133 K HA 0.062 4.382 4.320 -0.000 0.000 0.196 133 K C 1.881 178.380 176.600 -0.169 0.000 1.039 133 K CA 0.729 56.959 56.287 -0.094 0.000 1.001 133 K CB 0.212 32.670 32.500 -0.070 0.000 0.795 133 K HN 0.015 nan 8.250 nan 0.000 0.495 134 T N 1.636 116.000 114.554 -0.318 0.000 2.652 134 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 134 T C 1.768 176.212 174.700 -0.428 0.000 1.039 134 T CA 1.615 63.416 62.100 -0.497 0.000 1.153 134 T CB -0.157 68.122 68.868 -0.982 0.000 0.863 134 T HN 0.398 nan 8.240 nan 0.000 0.428 135 E N 0.591 120.547 120.200 -0.406 0.000 2.058 135 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 135 E C 2.481 179.055 176.600 -0.044 0.000 0.997 135 E CA 1.337 57.656 56.400 -0.135 0.000 0.801 135 E CB -0.567 29.173 29.700 0.066 0.000 0.746 135 E HN 0.508 nan 8.360 nan 0.000 0.450 136 G N 0.197 108.970 108.800 -0.045 0.000 2.418 136 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 136 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 136 G C 1.454 176.343 174.900 -0.019 0.000 1.158 136 G CA 0.874 45.967 45.100 -0.012 0.000 0.771 136 G HN 0.310 nan 8.290 nan 0.000 0.545 137 Q N -0.292 119.476 119.800 -0.054 0.000 2.046 137 Q HA 0.087 4.427 4.340 -0.000 0.000 0.200 137 Q C 2.684 178.655 176.000 -0.049 0.000 0.975 137 Q CA 0.779 56.554 55.803 -0.046 0.000 0.836 137 Q CB -0.247 28.453 28.738 -0.064 0.000 0.896 137 Q HN 0.424 nan 8.270 nan 0.000 0.428 138 L N 0.233 121.410 121.223 -0.077 0.000 2.083 138 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 138 L C 2.489 179.403 176.870 0.074 0.000 1.083 138 L CA 1.133 55.954 54.840 -0.031 0.000 0.752 138 L CB -0.368 41.638 42.059 -0.088 0.000 0.899 138 L HN 0.180 nan 8.230 nan 0.000 0.433 139 R N -0.058 120.483 120.500 0.068 0.000 2.096 139 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 139 R C 2.213 178.543 176.300 0.049 0.000 1.127 139 R CA 1.560 57.708 56.100 0.080 0.000 0.968 139 R CB -0.219 30.125 30.300 0.073 0.000 0.861 139 R HN 0.420 nan 8.270 nan 0.000 0.440 140 E N 1.030 121.248 120.200 0.029 0.000 2.072 140 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 140 E C 1.884 178.487 176.600 0.005 0.000 0.985 140 E CA 1.068 57.486 56.400 0.029 0.000 0.801 140 E CB -0.009 29.713 29.700 0.037 0.000 0.750 140 E HN 0.271 nan 8.360 nan 0.000 0.452 141 I N 0.437 120.966 120.570 -0.068 0.000 2.179 141 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 141 I C 2.387 178.404 176.117 -0.165 0.000 1.088 141 I CA 0.745 61.876 61.300 -0.282 0.000 1.357 141 I CB -0.190 37.539 38.000 -0.451 0.000 1.051 141 I HN 0.072 nan 8.210 nan 0.000 0.409 142 V N 1.051 120.951 119.914 -0.024 0.000 2.343 142 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 142 V C 2.665 178.764 176.094 0.009 0.000 1.051 142 V CA 1.992 64.296 62.300 0.008 0.000 1.036 142 V CB -0.994 30.859 31.823 0.050 0.000 0.654 142 V HN 0.510 nan 8.190 nan 0.000 0.451 143 A N -0.383 122.453 122.820 0.026 0.000 2.125 143 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 143 A C 1.884 179.493 177.584 0.041 0.000 1.156 143 A CA 1.824 53.883 52.037 0.036 0.000 0.671 143 A CB -0.578 18.448 19.000 0.042 0.000 0.794 143 A HN 0.575 nan 8.150 nan 0.000 0.459 144 D N -1.901 118.528 120.400 0.048 0.000 2.363 144 D HA 0.250 4.890 4.640 -0.000 0.000 0.226 144 D C 1.194 177.551 176.300 0.096 0.000 1.020 144 D CA 1.278 55.335 54.000 0.096 0.000 0.892 144 D CB -0.060 40.859 40.800 0.198 0.000 0.900 144 D HN 0.496 nan 8.370 nan 0.000 0.531 145 G N -0.206 108.623 108.800 0.049 0.000 2.192 145 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.193 145 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.193 145 G C -0.019 174.898 174.900 0.030 0.000 0.999 145 G CA -0.206 44.915 45.100 0.036 0.000 0.659 145 G HN 0.189 nan 8.290 nan 0.000 0.503 146 I N 3.097 123.678 120.570 0.018 0.000 2.287 146 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 146 I C 1.381 177.495 176.117 -0.005 0.000 1.069 146 I CA 0.145 61.457 61.300 0.020 0.000 1.237 146 I CB 0.638 38.629 38.000 -0.015 0.000 1.418 146 I HN 0.311 nan 8.210 nan 0.000 0.481 147 S N 3.047 118.745 115.700 -0.004 0.000 2.583 147 S HA 0.236 4.706 4.470 -0.000 0.000 0.239 147 S C 0.398 174.971 174.600 -0.044 0.000 0.966 147 S CA -0.474 57.697 58.200 -0.048 0.000 0.973 147 S CB -0.235 62.948 63.200 -0.029 0.000 0.794 147 S HN 0.599 nan 8.310 nan 0.000 0.463 148 S N 0.362 116.067 115.700 0.009 0.000 2.541 148 S HA 0.828 5.298 4.470 -0.000 0.000 0.280 148 S C -0.961 173.727 174.600 0.148 0.000 1.112 148 S CA -0.736 57.504 58.200 0.066 0.000 0.925 148 S CB 0.876 64.247 63.200 0.286 0.000 1.067 148 S HN 0.104 nan 8.310 nan 0.000 0.479 152 F N 3.675 123.667 119.950 0.070 0.000 2.477 152 F HA 0.578 5.105 4.527 -0.000 0.000 0.335 152 F C -0.189 175.634 175.800 0.039 0.000 1.130 152 F CA -0.573 57.470 58.000 0.072 0.000 0.948 152 F CB 2.049 41.148 39.000 0.165 0.000 1.154 152 F HN 0.259 nan 8.300 nan 0.000 0.439 153 L N 3.586 124.905 121.223 0.161 0.000 2.556 153 L HA 0.488 4.827 4.340 -0.000 0.000 0.245 153 L C 0.047 176.964 176.870 0.077 0.000 1.174 153 L CA 0.002 54.899 54.840 0.095 0.000 1.117 153 L CB -0.070 42.016 42.059 0.044 0.000 1.409 153 L HN 0.699 nan 8.230 nan 0.000 0.411 154 S N -0.462 115.257 115.700 0.032 0.000 2.683 154 S HA 0.398 4.867 4.470 -0.000 0.000 0.264 154 S C -1.561 172.995 174.600 -0.074 0.000 1.066 154 S CA -0.620 57.466 58.200 -0.190 0.000 0.846 154 S CB 0.566 63.388 63.200 -0.631 0.000 1.114 154 S HN 0.336 nan 8.310 nan 0.000 0.476 155 Y N -0.291 120.070 120.300 0.102 0.000 3.018 155 Y HA -0.128 4.422 4.550 -0.000 0.000 0.181 155 Y C 0.339 176.352 175.900 0.189 0.000 1.542 155 Y CA 0.835 59.026 58.100 0.153 0.000 0.975 155 Y CB -1.420 37.116 38.460 0.126 0.000 1.379 155 Y HN 0.580 nan 8.280 nan 0.000 0.423 156 K N 2.078 122.618 120.400 0.234 0.000 2.489 156 K HA 0.012 4.332 4.320 -0.000 0.000 0.278 156 K C 1.026 177.651 176.600 0.040 0.000 1.000 156 K CA 0.767 57.125 56.287 0.119 0.000 1.012 156 K CB 0.184 32.724 32.500 0.066 0.000 0.903 156 K HN 0.624 nan 8.250 nan 0.000 0.485 157 N N 1.723 120.356 118.700 -0.111 0.000 2.900 157 N HA -0.236 4.504 4.740 -0.000 0.000 0.240 157 N C 0.128 175.248 175.510 -0.650 0.000 0.953 157 N CA 1.882 54.700 53.050 -0.388 0.000 0.950 157 N CB -1.023 37.148 38.487 -0.526 0.000 1.102 157 N HN 0.472 nan 8.380 nan 0.000 0.593 158 F N -1.391 118.511 119.950 -0.080 0.000 2.532 158 F HA 0.369 4.896 4.527 -0.000 0.000 0.276 158 F C 1.643 177.110 175.800 -0.556 0.000 0.911 158 F CA 0.300 58.139 58.000 -0.268 0.000 1.196 158 F CB -0.300 38.608 39.000 -0.153 0.000 1.087 158 F HN -0.066 nan 8.300 nan 0.000 0.775 159 F N -0.273 119.740 119.950 0.104 0.000 2.740 159 F HA 0.395 4.922 4.527 -0.000 0.000 0.304 159 F C 1.534 177.399 175.800 0.107 0.000 1.098 159 F CA -0.315 57.661 58.000 -0.040 0.000 1.258 159 F CB -0.479 38.211 39.000 -0.518 0.000 1.061 159 F HN -0.136 nan 8.300 nan 0.000 0.598 160 G N 1.663 110.634 108.800 0.285 0.000 2.441 160 G HA2 0.418 4.378 3.960 -0.000 0.000 0.243 160 G HA3 0.418 4.378 3.960 -0.000 0.000 0.243 160 G C -0.498 174.492 174.900 0.150 0.000 1.281 160 G CA -0.181 45.055 45.100 0.227 0.000 0.854 160 G HN 0.037 nan 8.290 nan 0.000 0.560 161 V N 0.681 120.680 119.914 0.142 0.000 2.547 161 V HA 0.605 4.725 4.120 -0.000 0.000 0.299 161 V C -0.024 176.096 176.094 0.044 0.000 1.040 161 V CA -1.239 61.117 62.300 0.093 0.000 0.913 161 V CB 1.617 33.504 31.823 0.106 0.000 0.992 161 V HN 0.792 nan 8.190 nan 0.000 0.449 162 D N 1.682 122.103 120.400 0.035 0.000 2.411 162 D HA 0.170 4.810 4.640 -0.000 0.000 0.251 162 D C 0.513 176.807 176.300 -0.010 0.000 1.201 162 D CA -0.351 53.657 54.000 0.013 0.000 0.996 162 D CB 0.593 41.407 40.800 0.024 0.000 1.101 162 D HN 0.459 nan 8.370 nan 0.000 0.504 163 D N -0.175 120.217 120.400 -0.013 0.000 2.144 163 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 163 D C 2.113 178.499 176.300 0.145 0.000 0.984 163 D CA 1.734 55.723 54.000 -0.018 0.000 0.834 163 D CB -0.635 40.247 40.800 0.137 0.000 0.955 163 D HN 0.662 nan 8.370 nan 0.000 0.465 164 G N 0.623 109.492 108.800 0.114 0.000 2.418 164 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.217 164 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.217 164 G C 1.514 176.471 174.900 0.095 0.000 1.158 164 G CA 0.532 45.699 45.100 0.112 0.000 0.771 164 G HN 0.291 nan 8.290 nan 0.000 0.545 165 E N -0.439 119.802 120.200 0.069 0.000 2.106 165 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 165 E C 2.321 178.943 176.600 0.038 0.000 0.984 165 E CA 0.894 57.328 56.400 0.058 0.000 0.806 165 E CB -0.196 29.579 29.700 0.125 0.000 0.750 165 E HN 0.508 nan 8.360 nan 0.000 0.458 166 M N 0.041 119.675 119.600 0.056 0.000 2.117 166 M HA -0.220 4.260 4.480 -0.000 0.000 0.262 166 M C 2.198 178.587 176.300 0.148 0.000 1.065 166 M CA 1.505 56.840 55.300 0.058 0.000 1.114 166 M CB -0.156 32.378 32.600 -0.109 0.000 1.361 166 M HN 0.131 nan 8.290 nan 0.000 0.408 167 Y N 1.095 121.483 120.300 0.146 0.000 2.128 167 Y HA -0.318 4.232 4.550 -0.000 0.000 0.284 167 Y C 2.291 178.179 175.900 -0.019 0.000 1.154 167 Y CA 2.426 60.636 58.100 0.182 0.000 1.149 167 Y CB -0.380 38.191 38.460 0.185 0.000 0.976 167 Y HN 0.384 nan 8.280 nan 0.000 0.505 168 Q N -0.943 118.817 119.800 -0.067 0.000 2.084 168 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 168 Q C 2.153 177.861 176.000 -0.486 0.000 0.978 168 Q CA 2.267 57.780 55.803 -0.483 0.000 0.844 168 Q CB -0.308 27.747 28.738 -1.139 0.000 0.898 168 Q HN 0.448 nan 8.270 nan 0.000 0.426 169 T N 1.118 115.514 114.554 -0.263 0.000 2.708 169 T HA -0.136 4.213 4.350 -0.000 0.000 0.266 169 T C 1.722 176.523 174.700 0.168 0.000 1.037 169 T CA 0.995 63.158 62.100 0.105 0.000 1.146 169 T CB -0.170 68.810 68.868 0.186 0.000 0.865 169 T HN 0.045 nan 8.240 nan 0.000 0.435 170 L N 0.767 122.027 121.223 0.063 0.000 2.056 170 L HA 0.027 4.367 4.340 -0.000 0.000 0.207 170 L C 2.653 179.486 176.870 -0.061 0.000 1.078 170 L CA 1.494 56.357 54.840 0.037 0.000 0.749 170 L CB -0.613 41.454 42.059 0.013 0.000 0.901 170 L HN 0.038 nan 8.230 nan 0.000 0.433 171 R N -0.749 119.630 120.500 -0.201 0.000 2.081 171 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 171 R C 2.173 178.463 176.300 -0.016 0.000 1.131 171 R CA 1.086 57.078 56.100 -0.180 0.000 0.960 171 R CB -1.085 29.038 30.300 -0.296 0.000 0.856 171 R HN 0.265 nan 8.270 nan 0.000 0.436 172 L N 0.832 122.093 121.223 0.064 0.000 2.056 172 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 172 L C 2.215 179.192 176.870 0.179 0.000 1.078 172 L CA 1.955 56.905 54.840 0.183 0.000 0.749 172 L CB -0.765 41.495 42.059 0.335 0.000 0.901 172 L HN 0.137 nan 8.230 nan 0.000 0.433 173 A N -0.335 122.600 122.820 0.192 0.000 1.892 173 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 173 A C 2.482 180.023 177.584 -0.072 0.000 1.188 173 A CA 2.256 54.282 52.037 -0.018 0.000 0.631 173 A CB -0.741 18.241 19.000 -0.031 0.000 0.822 173 A HN 0.526 nan 8.150 nan 0.000 0.447 174 K N -0.353 120.033 120.400 -0.024 0.000 2.026 174 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 174 K C 2.107 178.738 176.600 0.052 0.000 1.048 174 K CA 1.761 58.039 56.287 -0.016 0.000 0.929 174 K CB -0.220 32.276 32.500 -0.007 0.000 0.713 174 K HN 0.638 nan 8.250 nan 0.000 0.439 175 E N 0.511 120.762 120.200 0.084 0.000 2.118 175 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 175 E C 1.770 178.504 176.600 0.223 0.000 0.992 175 E CA 1.210 57.704 56.400 0.157 0.000 0.804 175 E CB -0.006 29.768 29.700 0.122 0.000 0.741 175 E HN 0.376 nan 8.360 nan 0.000 0.458 176 L N -0.911 120.371 121.223 0.097 0.000 2.558 176 L HA 0.203 4.543 4.340 -0.000 0.000 0.225 176 L C 1.531 178.235 176.870 -0.275 0.000 1.128 176 L CA 0.386 55.254 54.840 0.046 0.000 0.868 176 L CB 0.124 42.189 42.059 0.009 0.000 1.006 176 L HN 0.412 nan 8.230 nan 0.000 0.454 177 G N 0.431 108.839 108.800 -0.653 0.000 2.148 177 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.254 177 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.254 177 G C 0.207 174.786 174.900 -0.535 0.000 0.981 177 G CA 0.089 44.431 45.100 -1.264 0.000 0.670 177 G HN 0.125 nan 8.290 nan 0.000 0.528 178 V N 1.228 120.917 119.914 -0.376 0.000 2.607 178 V HA 0.517 4.637 4.120 -0.000 0.000 0.289 178 V C 1.084 177.053 176.094 -0.209 0.000 1.053 178 V CA -0.433 61.657 62.300 -0.349 0.000 0.996 178 V CB 1.791 33.189 31.823 -0.709 0.000 0.995 178 V HN 0.409 nan 8.190 nan 0.000 0.476 179 I N 5.024 125.543 120.570 -0.084 0.000 2.395 179 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 179 I C -0.430 175.682 176.117 -0.010 0.000 1.023 179 I CA -0.178 61.084 61.300 -0.064 0.000 1.350 179 I CB 1.255 39.201 38.000 -0.090 0.000 1.409 179 I HN 0.342 nan 8.210 nan 0.000 0.507 180 V N 6.689 126.648 119.914 0.076 0.000 2.333 180 V HA 0.231 4.351 4.120 -0.000 0.000 0.274 180 V C 0.480 176.717 176.094 0.240 0.000 1.028 180 V CA -0.526 61.894 62.300 0.201 0.000 0.851 180 V CB 1.016 33.032 31.823 0.321 0.000 1.000 180 V HN 0.846 nan 8.190 nan 0.000 0.456 181 T N 2.474 117.074 114.554 0.078 0.000 2.909 181 T HA 0.794 5.144 4.350 -0.000 0.000 0.289 181 T C -0.203 174.373 174.700 -0.207 0.000 1.005 181 T CA -0.213 61.886 62.100 -0.002 0.000 1.084 181 T CB 1.708 70.409 68.868 -0.278 0.000 0.975 181 T HN 1.116 nan 8.240 nan 0.000 0.509 182 A N 2.074 124.674 122.820 -0.367 0.000 2.459 182 A HA 0.514 4.834 4.320 -0.000 0.000 0.296 182 A C -0.832 176.497 177.584 -0.425 0.000 1.039 182 A CA -0.913 50.754 52.037 -0.617 0.000 0.698 182 A CB 0.747 18.840 19.000 -1.511 0.000 1.261 182 A HN 1.141 nan 8.150 nan 0.000 0.405 183 H N 1.173 119.980 119.070 -0.439 0.000 2.864 183 H HA 0.418 4.974 4.556 -0.000 0.000 0.281 183 H C -0.762 174.525 175.328 -0.068 0.000 1.093 183 H CA -0.191 55.777 56.048 -0.133 0.000 1.453 183 H CB 0.359 30.141 29.762 0.032 0.000 1.462 183 H HN 0.602 nan 8.280 nan 0.000 0.480 184 C N 6.354 125.677 119.300 0.037 0.000 2.206 184 C HA 0.310 4.770 4.460 -0.000 0.000 0.324 184 C C 0.280 175.308 174.990 0.064 0.000 1.120 184 C CA -0.398 58.641 59.018 0.035 0.000 1.546 184 C CB -1.018 26.711 27.740 -0.019 0.000 2.023 184 C HN 0.929 nan 8.230 nan 0.000 0.448 185 E N 1.016 121.299 120.200 0.138 0.000 2.892 185 E HA 0.403 4.753 4.350 -0.000 0.000 0.160 185 E C -0.677 175.953 176.600 0.050 0.000 0.783 185 E CA -0.747 55.698 56.400 0.075 0.000 0.983 185 E CB 0.708 30.463 29.700 0.091 0.000 1.958 185 E HN 0.495 nan 8.360 nan 0.000 0.371 186 N N -0.314 118.403 118.700 0.028 0.000 2.478 186 N HA 0.235 4.975 4.740 -0.000 0.000 0.291 186 N C -0.435 175.081 175.510 0.010 0.000 1.090 186 N CA 0.158 53.221 53.050 0.021 0.000 0.911 186 N CB 1.922 40.422 38.487 0.021 0.000 1.546 186 N HN 0.487 nan 8.380 nan 0.000 0.500 187 A N 3.008 125.836 122.820 0.013 0.000 1.902 187 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 187 A C 1.773 179.374 177.584 0.029 0.000 1.181 187 A CA 1.676 53.724 52.037 0.017 0.000 0.623 187 A CB -0.358 18.666 19.000 0.041 0.000 0.818 187 A HN 0.764 nan 8.150 nan 0.000 0.443 188 E N 0.169 120.385 120.200 0.026 0.000 2.047 188 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 188 E C 1.911 178.528 176.600 0.028 0.000 0.987 188 E CA 1.253 57.669 56.400 0.026 0.000 0.799 188 E CB -0.349 29.364 29.700 0.022 0.000 0.752 188 E HN 0.581 nan 8.360 nan 0.000 0.449 189 L N -0.482 120.756 121.223 0.025 0.000 2.017 189 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 189 L C 2.441 179.331 176.870 0.032 0.000 1.073 189 L CA 0.913 55.768 54.840 0.025 0.000 0.745 189 L CB -0.546 41.526 42.059 0.020 0.000 0.894 189 L HN 0.093 nan 8.230 nan 0.000 0.432 190 V N 0.358 120.290 119.914 0.030 0.000 2.295 190 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 190 V C 2.646 178.781 176.094 0.069 0.000 1.049 190 V CA 2.069 64.395 62.300 0.044 0.000 1.024 190 V CB -1.250 30.586 31.823 0.021 0.000 0.648 190 V HN 0.571 nan 8.190 nan 0.000 0.447 191 G N -0.352 108.486 108.800 0.063 0.000 2.418 191 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 191 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 191 G C 1.740 176.673 174.900 0.056 0.000 1.158 191 G CA 0.406 45.548 45.100 0.070 0.000 0.771 191 G HN 0.306 nan 8.290 nan 0.000 0.545 192 R N -0.016 120.511 120.500 0.045 0.000 2.073 192 R HA 0.151 4.491 4.340 -0.000 0.000 0.229 192 R C 2.669 178.994 176.300 0.042 0.000 1.120 192 R CA 0.478 56.599 56.100 0.035 0.000 0.967 192 R CB -0.869 29.447 30.300 0.026 0.000 0.862 192 R HN 0.395 nan 8.270 nan 0.000 0.436 193 L N 0.771 122.028 121.223 0.056 0.000 2.056 193 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 193 L C 2.619 179.560 176.870 0.118 0.000 1.078 193 L CA 1.289 56.171 54.840 0.070 0.000 0.749 193 L CB -0.471 41.630 42.059 0.070 0.000 0.901 193 L HN 0.196 nan 8.230 nan 0.000 0.433 194 Q N -0.463 119.427 119.800 0.150 0.000 2.045 194 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 194 Q C 2.379 178.429 176.000 0.085 0.000 0.991 194 Q CA 1.600 57.523 55.803 0.200 0.000 0.851 194 Q CB -0.120 28.692 28.738 0.123 0.000 0.911 194 Q HN 0.446 nan 8.270 nan 0.000 0.418 195 Q N 0.586 120.407 119.800 0.037 0.000 2.084 195 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 195 Q C 1.894 177.893 176.000 -0.001 0.000 0.978 195 Q CA 1.345 57.149 55.803 0.001 0.000 0.844 195 Q CB -0.305 28.434 28.738 0.001 0.000 0.898 195 Q HN 0.309 nan 8.270 nan 0.000 0.426 196 K N 0.587 120.992 120.400 0.010 0.000 2.026 196 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 196 K C 2.219 178.797 176.600 -0.036 0.000 1.048 196 K CA 0.841 57.120 56.287 -0.012 0.000 0.929 196 K CB -0.128 32.368 32.500 -0.006 0.000 0.713 196 K HN 0.094 nan 8.250 nan 0.000 0.439 197 L N 0.930 122.147 121.223 -0.011 0.000 2.017 197 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 197 L C 2.450 179.280 176.870 -0.066 0.000 1.073 197 L CA 1.160 55.957 54.840 -0.073 0.000 0.745 197 L CB -0.390 41.705 42.059 0.059 0.000 0.894 197 L HN 0.242 nan 8.230 nan 0.000 0.432 198 L N -0.497 120.727 121.223 0.002 0.000 2.083 198 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 198 L C 2.828 179.666 176.870 -0.054 0.000 1.083 198 L CA 1.530 56.349 54.840 -0.035 0.000 0.752 198 L CB -0.635 41.371 42.059 -0.088 0.000 0.899 198 L HN 0.423 nan 8.230 nan 0.000 0.433 199 S N -0.741 114.928 115.700 -0.052 0.000 2.474 199 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 199 S C 1.439 176.002 174.600 -0.062 0.000 0.997 199 S CA 0.960 59.131 58.200 -0.049 0.000 0.949 199 S CB -0.273 62.903 63.200 -0.039 0.000 0.766 199 S HN 0.521 nan 8.310 nan 0.000 0.517 200 E N 0.491 120.635 120.200 -0.093 0.000 2.463 200 E HA 0.321 4.671 4.350 -0.000 0.000 0.193 200 E C 1.066 177.594 176.600 -0.120 0.000 1.041 200 E CA 0.121 56.452 56.400 -0.115 0.000 0.879 200 E CB 0.060 29.658 29.700 -0.169 0.000 0.997 200 E HN 0.670 nan 8.360 nan 0.000 0.478 201 G N 2.343 111.086 108.800 -0.094 0.000 2.143 201 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.248 201 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.248 201 G C 0.046 174.901 174.900 -0.074 0.000 0.991 201 G CA 0.040 45.105 45.100 -0.058 0.000 0.689 201 G HN 0.165 nan 8.290 nan 0.000 0.522 202 K N 1.101 121.370 120.400 -0.219 0.000 2.206 202 K HA 0.436 4.756 4.320 -0.000 0.000 0.268 202 K C 1.432 178.039 176.600 0.013 0.000 1.111 202 K CA 0.354 56.362 56.287 -0.466 0.000 0.955 202 K CB 0.516 32.104 32.500 -1.520 0.000 1.406 202 K HN 0.365 nan 8.250 nan 0.000 0.427 203 T N -2.214 112.503 114.554 0.272 0.000 2.971 203 T HA 0.100 4.450 4.350 -0.000 0.000 0.252 203 T C 1.131 176.137 174.700 0.509 0.000 1.022 203 T CA -0.276 62.051 62.100 0.379 0.000 0.980 203 T CB 0.377 69.350 68.868 0.174 0.000 1.044 203 T HN 0.375 nan 8.240 nan 0.000 0.501 204 G N 2.270 111.359 108.800 0.483 0.000 2.651 204 G HA2 0.437 4.397 3.960 -0.000 0.000 0.260 204 G HA3 0.437 4.397 3.960 -0.000 0.000 0.260 204 G C -1.627 173.428 174.900 0.259 0.000 1.216 204 G CA -1.279 44.004 45.100 0.304 0.000 0.913 204 G HN 0.034 nan 8.290 nan 0.000 0.535 205 P HA -0.058 nan 4.420 nan 0.000 0.222 205 P C 1.653 178.907 177.300 -0.077 0.000 1.147 205 P CA 1.005 64.138 63.100 0.054 0.000 0.790 205 P CB 0.190 31.898 31.700 0.014 0.000 0.780 206 E N -0.964 119.116 120.200 -0.199 0.000 2.409 206 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 206 E C 1.043 177.302 176.600 -0.567 0.000 1.024 206 E CA 0.889 57.054 56.400 -0.391 0.000 0.861 206 E CB -1.050 28.329 29.700 -0.534 0.000 0.788 206 E HN 0.421 nan 8.360 nan 0.000 0.521 207 W N 0.253 121.362 121.300 -0.318 0.000 3.197 207 W HA 0.123 4.783 4.660 -0.000 0.000 0.274 207 W C 2.108 178.123 176.519 -0.841 0.000 1.297 207 W CA -0.027 56.998 57.345 -0.533 0.000 1.662 207 W CB -0.116 29.000 29.460 -0.575 0.000 1.106 207 W HN 0.230 nan 8.180 nan 0.000 0.663 208 H N 1.206 119.855 119.070 -0.701 0.000 2.267 208 H HA -0.217 4.338 4.556 -0.000 0.000 0.297 208 H C 2.274 177.517 175.328 -0.142 0.000 1.080 208 H CA 2.507 58.316 56.048 -0.398 0.000 1.278 208 H CB -0.126 29.579 29.762 -0.095 0.000 1.365 208 H HN -0.090 nan 8.280 nan 0.000 0.489 209 E N -0.155 119.966 120.200 -0.132 0.000 2.049 209 E HA -0.124 4.226 4.350 -0.000 0.000 0.198 209 E C -0.606 175.924 176.600 -0.117 0.000 1.007 209 E CA 1.698 58.012 56.400 -0.143 0.000 0.809 209 E CB -1.129 28.532 29.700 -0.064 0.000 0.749 209 E HN 0.502 nan 8.360 nan 0.000 0.450 210 P HA -0.072 nan 4.420 nan 0.000 0.226 210 P C 1.431 178.747 177.300 0.027 0.000 1.153 210 P CA 1.526 64.639 63.100 0.022 0.000 0.777 210 P CB -0.285 31.511 31.700 0.160 0.000 0.794 211 S N -0.054 115.640 115.700 -0.009 0.000 2.481 211 S HA -0.079 4.390 4.470 -0.000 0.000 0.231 211 S C 1.049 175.653 174.600 0.008 0.000 0.996 211 S CA -0.027 58.204 58.200 0.052 0.000 0.942 211 S CB -0.673 62.635 63.200 0.179 0.000 0.768 211 S HN 0.242 nan 8.310 nan 0.000 0.520 212 R N 0.184 120.646 120.500 -0.064 0.000 2.837 212 R HA 0.407 4.747 4.340 -0.000 0.000 0.245 212 R C -3.463 172.793 176.300 -0.073 0.000 1.712 212 R CA -1.445 54.617 56.100 -0.064 0.000 1.539 212 R CB 0.267 30.513 30.300 -0.090 0.000 1.490 212 R HN 0.185 nan 8.270 nan 0.000 0.667 213 P HA 0.102 nan 4.420 nan 0.000 0.275 213 P C 0.319 177.592 177.300 -0.045 0.000 1.266 213 P CA -0.184 62.891 63.100 -0.042 0.000 0.793 213 P CB 0.946 32.634 31.700 -0.019 0.000 1.074 214 E N 0.312 120.483 120.200 -0.048 0.000 2.187 214 E HA -0.238 4.111 4.350 -0.000 0.000 0.199 214 E C 1.953 178.530 176.600 -0.038 0.000 1.004 214 E CA 1.805 58.173 56.400 -0.053 0.000 0.813 214 E CB -0.526 29.143 29.700 -0.051 0.000 0.736 214 E HN 0.487 nan 8.360 nan 0.000 0.468 215 A N 0.838 123.644 122.820 -0.024 0.000 1.972 215 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 215 A C 2.464 180.043 177.584 -0.009 0.000 1.169 215 A CA 1.086 53.115 52.037 -0.013 0.000 0.635 215 A CB -0.396 18.600 19.000 -0.006 0.000 0.810 215 A HN 0.124 nan 8.150 nan 0.000 0.446 216 V N -0.225 119.681 119.914 -0.012 0.000 2.379 216 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 216 V C 2.473 178.564 176.094 -0.006 0.000 1.044 216 V CA 2.074 64.372 62.300 -0.004 0.000 1.036 216 V CB -0.588 31.232 31.823 -0.006 0.000 0.664 216 V HN 0.766 nan 8.190 nan 0.000 0.453 217 E N 0.406 120.591 120.200 -0.025 0.000 2.110 217 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 217 E C 2.217 178.807 176.600 -0.016 0.000 0.988 217 E CA 1.314 57.696 56.400 -0.031 0.000 0.804 217 E CB -0.165 29.492 29.700 -0.071 0.000 0.745 217 E HN 0.561 nan 8.360 nan 0.000 0.458 218 A N 1.429 124.239 122.820 -0.017 0.000 1.933 218 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 218 A C 2.130 179.722 177.584 0.013 0.000 1.175 218 A CA 1.504 53.537 52.037 -0.007 0.000 0.628 218 A CB -0.492 18.500 19.000 -0.012 0.000 0.814 218 A HN 0.314 nan 8.150 nan 0.000 0.444 219 E N 0.176 120.387 120.200 0.018 0.000 2.047 219 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 219 E C 2.140 178.770 176.600 0.049 0.000 0.987 219 E CA 1.439 57.859 56.400 0.032 0.000 0.799 219 E CB -0.576 29.141 29.700 0.028 0.000 0.752 219 E HN 0.451 nan 8.360 nan 0.000 0.449 220 G N -0.055 108.772 108.800 0.045 0.000 2.408 220 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 220 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 220 G C 1.679 176.638 174.900 0.098 0.000 1.150 220 G CA 1.288 46.425 45.100 0.062 0.000 0.776 220 G HN 0.295 nan 8.290 nan 0.000 0.542 221 T N 1.653 116.255 114.554 0.080 0.000 2.746 221 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 221 T C 2.826 177.606 174.700 0.133 0.000 1.039 221 T CA 1.452 63.621 62.100 0.114 0.000 1.142 221 T CB -0.334 68.567 68.868 0.054 0.000 0.866 221 T HN 0.353 nan 8.240 nan 0.000 0.444 222 A N 1.623 124.494 122.820 0.085 0.000 1.902 222 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 222 A C 2.304 179.958 177.584 0.117 0.000 1.181 222 A CA 1.660 53.742 52.037 0.074 0.000 0.623 222 A CB -0.573 18.455 19.000 0.047 0.000 0.818 222 A HN 0.400 nan 8.150 nan 0.000 0.443 223 R N -1.647 118.941 120.500 0.147 0.000 2.070 223 R HA -0.169 4.171 4.340 -0.000 0.000 0.233 223 R C 1.998 178.474 176.300 0.292 0.000 1.137 223 R CA 1.897 58.122 56.100 0.209 0.000 0.945 223 R CB -0.529 29.853 30.300 0.138 0.000 0.845 223 R HN 0.466 nan 8.270 nan 0.000 0.430 224 F N 1.367 121.360 119.950 0.072 0.000 2.091 224 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 224 F C 2.108 177.975 175.800 0.111 0.000 1.103 224 F CA 1.580 59.622 58.000 0.070 0.000 1.228 224 F CB -0.836 38.179 39.000 0.024 0.000 0.984 224 F HN 0.148 nan 8.300 nan 0.000 0.477 225 A N -0.600 122.206 122.820 -0.023 0.000 1.908 225 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 225 A C 2.222 179.752 177.584 -0.090 0.000 1.181 225 A CA 2.383 54.325 52.037 -0.158 0.000 0.627 225 A CB -1.477 17.479 19.000 -0.073 0.000 0.818 225 A HN 0.464 nan 8.150 nan 0.000 0.445 226 T N -0.668 113.906 114.554 0.033 0.000 2.746 226 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 226 T C 1.507 176.207 174.700 -0.001 0.000 1.039 226 T CA 1.637 63.752 62.100 0.024 0.000 1.142 226 T CB -0.410 68.502 68.868 0.073 0.000 0.866 226 T HN 0.401 nan 8.240 nan 0.000 0.444 227 F N 0.988 120.909 119.950 -0.049 0.000 2.186 227 F HA 0.136 4.662 4.527 -0.000 0.000 0.299 227 F C 2.093 177.818 175.800 -0.124 0.000 1.090 227 F CA 0.477 58.463 58.000 -0.024 0.000 1.307 227 F CB -0.647 38.388 39.000 0.058 0.000 1.019 227 F HN 0.080 nan 8.300 nan 0.000 0.489 228 L N -0.332 120.820 121.223 -0.118 0.000 2.017 228 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 228 L C 2.469 179.248 176.870 -0.152 0.000 1.073 228 L CA 1.749 56.456 54.840 -0.222 0.000 0.745 228 L CB -0.705 41.105 42.059 -0.415 0.000 0.894 228 L HN 0.157 nan 8.230 nan 0.000 0.432 229 E N -0.302 119.815 120.200 -0.138 0.000 2.085 229 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 229 E C 1.938 178.483 176.600 -0.092 0.000 0.994 229 E CA 1.872 58.206 56.400 -0.110 0.000 0.801 229 E CB 0.123 29.764 29.700 -0.099 0.000 0.743 229 E HN 0.410 nan 8.360 nan 0.000 0.453 230 T N -0.550 113.944 114.554 -0.101 0.000 2.896 230 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 230 T C 1.948 176.618 174.700 -0.051 0.000 1.050 230 T CA 1.584 63.634 62.100 -0.082 0.000 1.140 230 T CB -0.257 68.532 68.868 -0.131 0.000 0.877 230 T HN 0.390 nan 8.240 nan 0.000 0.457 231 T N -1.153 113.347 114.554 -0.091 0.000 3.054 231 T HA 0.353 4.703 4.350 -0.000 0.000 0.259 231 T C 1.951 176.592 174.700 -0.097 0.000 1.092 231 T CA 0.862 62.875 62.100 -0.145 0.000 1.121 231 T CB -0.233 68.484 68.868 -0.252 0.000 0.912 231 T HN 0.496 nan 8.240 nan 0.000 0.489 232 G N 1.428 110.181 108.800 -0.078 0.000 2.179 232 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.260 232 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.260 232 G C 0.318 175.183 174.900 -0.059 0.000 0.977 232 G CA 0.033 45.099 45.100 -0.057 0.000 0.641 232 G HN 1.172 nan 8.290 nan 0.000 0.533 233 A N -0.228 122.542 122.820 -0.082 0.000 2.332 233 A HA 0.708 5.028 4.320 -0.000 0.000 0.258 233 A C 0.697 178.212 177.584 -0.115 0.000 1.087 233 A CA 1.037 53.027 52.037 -0.079 0.000 0.802 233 A CB 0.470 19.431 19.000 -0.065 0.000 1.042 233 A HN 0.720 nan 8.150 nan 0.000 0.489 234 T N 0.794 115.273 114.554 -0.124 0.000 2.837 234 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 234 T C 0.463 175.081 174.700 -0.138 0.000 0.984 234 T CA 0.406 62.388 62.100 -0.197 0.000 1.049 234 T CB 1.409 70.051 68.868 -0.378 0.000 0.947 234 T HN 1.069 nan 8.240 nan 0.000 0.472 235 G N 0.918 109.663 108.800 -0.092 0.000 2.730 235 G HA2 0.651 4.611 3.960 -0.000 0.000 0.289 235 G HA3 0.651 4.611 3.960 -0.000 0.000 0.289 235 G C -2.201 172.881 174.900 0.302 0.000 1.341 235 G CA -0.696 44.487 45.100 0.138 0.000 0.932 235 G HN 0.618 nan 8.290 nan 0.000 0.481 236 Y N 0.455 120.934 120.300 0.298 0.000 2.323 236 Y HA 0.465 5.015 4.550 -0.000 0.000 0.322 236 Y C -0.907 175.094 175.900 0.168 0.000 1.133 236 Y CA -0.831 57.400 58.100 0.218 0.000 1.093 236 Y CB 1.766 40.332 38.460 0.176 0.000 1.203 236 Y HN 0.432 nan 8.280 nan 0.000 0.427 237 V N 7.593 127.508 119.914 0.000 0.000 2.427 237 V HA 0.285 4.405 4.120 -0.000 0.000 0.268 237 V C 0.302 176.240 176.094 -0.260 0.000 1.046 237 V CA -0.421 61.827 62.300 -0.086 0.000 0.970 237 V CB 0.501 32.314 31.823 -0.017 0.000 1.001 237 V HN 0.648 nan 8.190 nan 0.000 0.476 238 V N 3.311 123.091 119.914 -0.223 0.000 2.881 238 V HA 0.400 4.520 4.120 -0.000 0.000 0.303 238 V C 0.696 176.651 176.094 -0.231 0.000 1.070 238 V CA -0.469 61.687 62.300 -0.241 0.000 1.074 238 V CB 0.306 31.920 31.823 -0.348 0.000 1.012 238 V HN 1.285 nan 8.190 nan 0.000 0.482 239 H N 0.237 119.396 119.070 0.150 0.000 2.284 239 H HA -0.221 4.335 4.556 -0.000 0.000 0.322 239 H C -0.750 174.566 175.328 -0.020 0.000 0.973 239 H CA 0.795 56.911 56.048 0.113 0.000 1.076 239 H CB -2.296 27.564 29.762 0.164 0.000 1.596 239 H HN 0.968 nan 8.280 nan 0.000 0.361 240 L N 1.051 122.321 121.223 0.077 0.000 2.367 240 L HA 0.265 4.605 4.340 -0.000 0.000 0.275 240 L C 1.195 177.948 176.870 -0.196 0.000 1.129 240 L CA 0.640 55.450 54.840 -0.050 0.000 0.839 240 L CB 0.677 42.699 42.059 -0.062 0.000 1.133 240 L HN 0.711 nan 8.230 nan 0.000 0.453 241 S N 3.046 118.550 115.700 -0.327 0.000 2.559 241 S HA 0.184 4.654 4.470 -0.000 0.000 0.226 241 S C 0.265 174.625 174.600 -0.400 0.000 1.030 241 S CA 0.111 57.931 58.200 -0.632 0.000 0.956 241 S CB -0.206 62.376 63.200 -1.030 0.000 0.900 241 S HN 0.813 nan 8.310 nan 0.000 0.510 242 C N -0.488 118.664 119.300 -0.246 0.000 3.318 242 C HA 0.669 5.129 4.460 -0.000 0.000 0.322 242 C C 1.050 175.977 174.990 -0.104 0.000 1.398 242 C CA -0.656 58.264 59.018 -0.164 0.000 1.339 242 C CB 1.152 28.806 27.740 -0.142 0.000 1.668 242 C HN 0.326 nan 8.230 nan 0.000 0.462 243 K N 0.884 121.243 120.400 -0.069 0.000 2.026 243 K HA -0.014 4.306 4.320 -0.000 0.000 0.208 243 K C -0.857 175.721 176.600 -0.037 0.000 1.048 243 K CA 2.294 58.558 56.287 -0.040 0.000 0.929 243 K CB -0.943 31.545 32.500 -0.019 0.000 0.713 243 K HN 0.647 nan 8.250 nan 0.000 0.439 244 P HA -0.138 nan 4.420 nan 0.000 0.215 244 P C 0.856 178.136 177.300 -0.033 0.000 1.153 244 P CA 1.811 64.893 63.100 -0.031 0.000 0.853 244 P CB -0.044 31.638 31.700 -0.029 0.000 0.788 245 A N -0.648 122.145 122.820 -0.046 0.000 1.898 245 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 245 A C 2.148 179.708 177.584 -0.040 0.000 1.181 245 A CA 1.393 53.405 52.037 -0.042 0.000 0.620 245 A CB -1.659 17.304 19.000 -0.061 0.000 0.819 245 A HN 0.160 nan 8.150 nan 0.000 0.442 246 L N 0.225 121.420 121.223 -0.047 0.000 2.046 246 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 246 L C 1.630 178.474 176.870 -0.043 0.000 1.077 246 L CA 2.546 57.363 54.840 -0.039 0.000 0.747 246 L CB -0.702 41.342 42.059 -0.024 0.000 0.896 246 L HN 0.331 nan 8.230 nan 0.000 0.432 247 D N 0.042 120.419 120.400 -0.038 0.000 2.133 247 D HA -0.206 4.434 4.640 -0.000 0.000 0.195 247 D C 2.192 178.463 176.300 -0.048 0.000 0.997 247 D CA 1.657 55.631 54.000 -0.044 0.000 0.840 247 D CB -0.287 40.495 40.800 -0.030 0.000 0.947 247 D HN 0.530 nan 8.370 nan 0.000 0.452 248 A N 0.900 123.699 122.820 -0.035 0.000 1.873 248 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 248 A C 2.315 179.877 177.584 -0.038 0.000 1.186 248 A CA 2.240 54.261 52.037 -0.027 0.000 0.616 248 A CB -0.722 18.275 19.000 -0.006 0.000 0.823 248 A HN 0.241 nan 8.150 nan 0.000 0.442 249 A N -0.998 121.798 122.820 -0.039 0.000 1.898 249 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 249 A C 2.181 179.708 177.584 -0.095 0.000 1.181 249 A CA 1.813 53.818 52.037 -0.054 0.000 0.620 249 A CB -0.457 18.520 19.000 -0.039 0.000 0.819 249 A HN 0.423 nan 8.150 nan 0.000 0.442 250 M N -0.405 119.129 119.600 -0.110 0.000 2.175 250 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 250 M C 2.501 178.710 176.300 -0.151 0.000 1.063 250 M CA 1.526 56.726 55.300 -0.168 0.000 1.119 250 M CB -1.359 31.113 32.600 -0.213 0.000 1.377 250 M HN 0.496 nan 8.290 nan 0.000 0.415 251 A N 0.197 122.950 122.820 -0.111 0.000 1.933 251 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 251 A C 2.418 179.945 177.584 -0.094 0.000 1.175 251 A CA 1.984 53.966 52.037 -0.092 0.000 0.628 251 A CB -0.792 18.169 19.000 -0.065 0.000 0.814 251 A HN 0.474 nan 8.150 nan 0.000 0.444 252 A N -0.218 122.544 122.820 -0.096 0.000 1.898 252 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 252 A C 2.113 179.617 177.584 -0.135 0.000 1.181 252 A CA 1.694 53.666 52.037 -0.108 0.000 0.620 252 A CB -0.420 18.513 19.000 -0.111 0.000 0.819 252 A HN 0.513 nan 8.150 nan 0.000 0.442 253 K N -0.317 119.990 120.400 -0.155 0.000 2.032 253 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 253 K C 2.300 178.815 176.600 -0.141 0.000 1.048 253 K CA 1.321 57.504 56.287 -0.174 0.000 0.927 253 K CB -0.376 32.013 32.500 -0.185 0.000 0.712 253 K HN 0.441 nan 8.250 nan 0.000 0.441 254 A N 2.090 124.831 122.820 -0.133 0.000 1.972 254 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 254 A C 1.921 179.454 177.584 -0.084 0.000 1.169 254 A CA 1.510 53.482 52.037 -0.109 0.000 0.635 254 A CB -0.516 18.416 19.000 -0.112 0.000 0.810 254 A HN 0.417 nan 8.150 nan 0.000 0.446 255 R N -1.119 119.330 120.500 -0.085 0.000 2.320 255 R HA 0.298 4.637 4.340 -0.000 0.000 0.211 255 R C 1.003 177.259 176.300 -0.073 0.000 0.931 255 R CA 0.871 56.928 56.100 -0.070 0.000 1.071 255 R CB -0.526 29.735 30.300 -0.065 0.000 1.025 255 R HN 0.799 nan 8.270 nan 0.000 0.495 256 G N 0.658 109.406 108.800 -0.086 0.000 2.159 256 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.227 256 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.227 256 G C 0.011 174.847 174.900 -0.106 0.000 0.986 256 G CA -0.025 45.024 45.100 -0.085 0.000 0.651 256 G HN 0.168 nan 8.290 nan 0.000 0.523 257 V N 2.507 122.342 119.914 -0.131 0.000 2.572 257 V HA 0.364 4.484 4.120 -0.000 0.000 0.291 257 V C -1.099 174.865 176.094 -0.216 0.000 1.039 257 V CA -0.643 61.560 62.300 -0.160 0.000 1.055 257 V CB 1.176 32.897 31.823 -0.171 0.000 0.969 257 V HN 0.251 nan 8.190 nan 0.000 0.482 258 P HA 0.329 nan 4.420 nan 0.000 0.252 258 P C -0.590 176.469 177.300 -0.401 0.000 1.727 258 P CA 0.333 63.261 63.100 -0.287 0.000 1.134 258 P CB 0.371 31.981 31.700 -0.150 0.000 1.876 259 I N 3.186 123.427 120.570 -0.549 0.000 2.545 259 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 259 I C -1.226 174.480 176.117 -0.684 0.000 1.040 259 I CA -1.272 59.765 61.300 -0.437 0.000 1.068 259 I CB 1.852 39.691 38.000 -0.269 0.000 1.251 259 I HN 0.015 nan 8.210 nan 0.000 0.424 260 Y N 6.093 126.372 120.300 -0.034 0.000 2.598 260 Y HA 0.651 5.201 4.550 -0.000 0.000 0.340 260 Y C -0.409 175.405 175.900 -0.143 0.000 1.038 260 Y CA -0.777 57.297 58.100 -0.043 0.000 1.100 260 Y CB 1.881 40.363 38.460 0.037 0.000 1.281 260 Y HN 0.268 nan 8.280 nan 0.000 0.488 261 I N 1.309 121.865 120.570 -0.022 0.000 2.499 261 I HA 0.302 4.472 4.170 -0.000 0.000 0.288 261 I C -0.809 175.183 176.117 -0.207 0.000 1.048 261 I CA -0.718 60.492 61.300 -0.149 0.000 1.062 261 I CB 2.056 40.034 38.000 -0.037 0.000 1.238 261 I HN 0.570 nan 8.210 nan 0.000 0.426 262 E N 4.736 124.721 120.200 -0.359 0.000 2.191 262 E HA 0.603 4.952 4.350 -0.000 0.000 0.274 262 E C -1.278 175.324 176.600 0.004 0.000 0.948 262 E CA -0.379 55.932 56.400 -0.147 0.000 0.802 262 E CB 1.704 31.288 29.700 -0.194 0.000 1.137 262 E HN 0.576 nan 8.360 nan 0.000 0.397 263 S N 1.677 117.450 115.700 0.121 0.000 2.600 263 S HA 0.519 4.989 4.470 -0.000 0.000 0.300 263 S C -0.714 174.063 174.600 0.295 0.000 1.087 263 S CA -0.802 57.495 58.200 0.161 0.000 0.965 263 S CB 1.701 64.901 63.200 0.001 0.000 1.089 263 S HN 0.493 nan 8.310 nan 0.000 0.496 264 V N 0.414 120.504 119.914 0.293 0.000 2.667 264 V HA 0.598 4.718 4.120 -0.000 0.000 0.308 264 V C 1.060 177.322 176.094 0.280 0.000 1.048 264 V CA -0.666 61.783 62.300 0.248 0.000 0.928 264 V CB 1.048 32.962 31.823 0.151 0.000 1.004 264 V HN 0.819 nan 8.190 nan 0.000 0.444 265 I N 3.855 124.550 120.570 0.208 0.000 2.248 265 I HA -0.024 4.146 4.170 -0.000 0.000 0.248 265 I C -0.480 175.775 176.117 0.229 0.000 1.107 265 I CA 1.881 63.295 61.300 0.192 0.000 1.373 265 I CB -0.750 37.231 38.000 -0.032 0.000 1.055 265 I HN 0.720 nan 8.210 nan 0.000 0.418 266 P HA -0.178 nan 4.420 nan 0.000 0.218 266 P C 1.255 178.570 177.300 0.024 0.000 1.149 266 P CA 1.788 64.975 63.100 0.145 0.000 0.817 266 P CB -0.418 31.233 31.700 -0.081 0.000 0.785 267 H N -2.570 116.536 119.070 0.060 0.000 2.546 267 H HA 0.082 4.638 4.556 -0.000 0.000 0.277 267 H C 1.467 176.694 175.328 -0.168 0.000 1.004 267 H CA 0.290 56.287 56.048 -0.086 0.000 1.231 267 H CB -0.505 29.144 29.762 -0.190 0.000 1.382 267 H HN 0.119 nan 8.280 nan 0.000 0.580 268 F N -0.667 119.286 119.950 0.004 0.000 2.416 268 F HA 0.047 4.574 4.527 -0.000 0.000 0.296 268 F C 1.576 177.515 175.800 0.230 0.000 1.099 268 F CA 0.766 58.701 58.000 -0.110 0.000 1.427 268 F CB 0.416 39.109 39.000 -0.513 0.000 1.079 268 F HN 0.079 nan 8.300 nan 0.000 0.536 269 L N -1.182 120.265 121.223 0.374 0.000 2.948 269 L HA 0.281 4.621 4.340 -0.000 0.000 0.259 269 L C -0.201 176.826 176.870 0.262 0.000 1.136 269 L CA 0.116 55.178 54.840 0.370 0.000 0.959 269 L CB 0.607 42.864 42.059 0.331 0.000 1.370 269 L HN -0.117 nan 8.230 nan 0.000 0.552 270 L N -0.323 120.961 121.223 0.101 0.000 2.303 270 L HA 0.542 4.882 4.340 -0.000 0.000 0.266 270 L C -1.133 175.723 176.870 -0.023 0.000 1.011 270 L CA -0.761 53.973 54.840 -0.176 0.000 0.818 270 L CB 1.855 43.624 42.059 -0.483 0.000 1.326 270 L HN 0.006 nan 8.230 nan 0.000 0.435 271 D N -2.016 118.399 120.400 0.025 0.000 2.610 271 D HA 0.250 4.890 4.640 -0.000 0.000 0.271 271 D C 0.154 176.534 176.300 0.134 0.000 1.174 271 D CA -0.914 53.159 54.000 0.122 0.000 0.949 271 D CB 1.324 42.215 40.800 0.152 0.000 1.430 271 D HN 0.551 nan 8.370 nan 0.000 0.467 272 K N -0.964 119.487 120.400 0.085 0.000 2.280 272 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 272 K C 1.470 178.088 176.600 0.030 0.000 1.047 272 K CA 1.747 58.066 56.287 0.052 0.000 0.942 272 K CB -0.696 31.810 32.500 0.010 0.000 0.739 272 K HN 0.539 nan 8.250 nan 0.000 0.457 273 T N -1.786 112.785 114.554 0.027 0.000 2.929 273 T HA -0.149 4.201 4.350 -0.000 0.000 0.271 273 T C 1.551 176.196 174.700 -0.092 0.000 1.085 273 T CA 0.668 62.736 62.100 -0.053 0.000 1.125 273 T CB -0.486 68.326 68.868 -0.092 0.000 0.874 273 T HN 0.267 nan 8.240 nan 0.000 0.494 274 Y N 1.985 122.170 120.300 -0.192 0.000 2.224 274 Y HA 0.241 4.791 4.550 -0.000 0.000 0.289 274 Y C 2.845 178.643 175.900 -0.170 0.000 1.146 274 Y CA 0.623 58.518 58.100 -0.342 0.000 1.182 274 Y CB -0.639 37.367 38.460 -0.757 0.000 0.983 274 Y HN 0.374 nan 8.280 nan 0.000 0.524 275 A N -0.519 122.343 122.820 0.071 0.000 2.238 275 A HA 0.025 4.345 4.320 -0.000 0.000 0.208 275 A C 1.505 179.073 177.584 -0.027 0.000 1.177 275 A CA 0.487 52.562 52.037 0.064 0.000 0.804 275 A CB -0.393 18.658 19.000 0.085 0.000 0.823 275 A HN 0.477 nan 8.150 nan 0.000 0.482 276 E N -0.617 119.543 120.200 -0.067 0.000 2.481 276 E HA 0.084 4.434 4.350 -0.000 0.000 0.198 276 E C 1.282 177.821 176.600 -0.102 0.000 1.027 276 E CA -0.256 56.074 56.400 -0.118 0.000 0.900 276 E CB 0.196 29.812 29.700 -0.140 0.000 0.993 276 E HN 0.478 nan 8.360 nan 0.000 0.482 277 R N 0.786 121.240 120.500 -0.077 0.000 2.316 277 R HA 0.056 4.396 4.340 -0.000 0.000 0.202 277 R C 0.701 176.972 176.300 -0.049 0.000 1.029 277 R CA 0.480 56.537 56.100 -0.072 0.000 1.018 277 R CB 0.099 30.363 30.300 -0.060 0.000 0.888 277 R HN 0.119 nan 8.270 nan 0.000 0.471 278 G N 0.077 108.851 108.800 -0.043 0.000 2.731 278 G HA2 0.033 3.993 3.960 -0.000 0.000 0.686 278 G HA3 0.033 3.993 3.960 -0.000 0.000 0.686 278 G C 0.279 175.168 174.900 -0.018 0.000 1.395 278 G CA -0.461 44.621 45.100 -0.029 0.000 0.870 278 G HN 0.580 nan 8.290 nan 0.000 0.591 279 G N -0.695 108.098 108.800 -0.012 0.000 2.645 279 G HA2 0.062 4.022 3.960 -0.000 0.000 0.246 279 G HA3 0.062 4.022 3.960 -0.000 0.000 0.246 279 G C 1.431 176.309 174.900 -0.035 0.000 1.322 279 G CA 1.393 46.483 45.100 -0.017 0.000 0.898 279 G HN 2.300 nan 8.290 nan 0.000 0.573 280 V N 0.460 120.343 119.914 -0.051 0.000 2.594 280 V HA -0.047 4.073 4.120 -0.000 0.000 0.253 280 V C 2.631 178.651 176.094 -0.123 0.000 1.069 280 V CA 3.262 65.506 62.300 -0.094 0.000 1.082 280 V CB -0.296 31.472 31.823 -0.091 0.000 0.680 280 V HN 0.894 nan 8.190 nan 0.000 0.469 281 E N 0.941 121.100 120.200 -0.068 0.000 2.077 281 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 281 E C 2.071 178.704 176.600 0.055 0.000 0.989 281 E CA 1.964 58.348 56.400 -0.026 0.000 0.800 281 E CB -0.588 29.123 29.700 0.018 0.000 0.746 281 E HN 0.622 nan 8.360 nan 0.000 0.452 282 A N 0.272 123.117 122.820 0.041 0.000 1.930 282 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 282 A C 2.284 179.888 177.584 0.033 0.000 1.175 282 A CA 1.648 53.737 52.037 0.087 0.000 0.627 282 A CB -0.538 18.473 19.000 0.019 0.000 0.815 282 A HN 0.366 nan 8.150 nan 0.000 0.443 283 M N -0.537 119.021 119.600 -0.069 0.000 2.279 283 M HA -0.156 4.324 4.480 -0.000 0.000 0.264 283 M C 1.875 178.032 176.300 -0.238 0.000 1.062 283 M CA 1.361 56.581 55.300 -0.135 0.000 1.099 283 M CB -0.313 32.200 32.600 -0.144 0.000 1.394 283 M HN 0.321 nan 8.290 nan 0.000 0.426 284 K N -0.374 119.779 120.400 -0.413 0.000 2.152 284 K HA -0.169 4.150 4.320 -0.000 0.000 0.206 284 K C 0.776 177.023 176.600 -0.590 0.000 1.048 284 K CA 1.282 57.076 56.287 -0.822 0.000 0.933 284 K CB -0.065 31.630 32.500 -1.343 0.000 0.721 284 K HN 0.370 nan 8.250 nan 0.000 0.447 285 Y N 0.070 120.302 120.300 -0.114 0.000 2.524 285 Y HA 0.175 4.725 4.550 -0.000 0.000 0.266 285 Y C 0.250 176.115 175.900 -0.059 0.000 1.180 285 Y CA -0.474 57.586 58.100 -0.066 0.000 1.244 285 Y CB 0.463 38.914 38.460 -0.014 0.000 1.125 285 Y HN -0.123 nan 8.280 nan 0.000 0.524 286 I N 3.547 124.107 120.570 -0.017 0.000 2.379 286 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 286 I C 0.135 176.200 176.117 -0.087 0.000 1.063 286 I CA 0.102 61.332 61.300 -0.117 0.000 1.351 286 I CB -0.307 37.526 38.000 -0.278 0.000 1.410 286 I HN 0.287 nan 8.210 nan 0.000 0.505 287 M N 4.311 123.931 119.600 0.032 0.000 2.716 287 M HA 0.664 5.144 4.480 -0.000 0.000 0.278 287 M C -1.116 175.344 176.300 0.267 0.000 1.281 287 M CA -0.714 54.639 55.300 0.089 0.000 0.814 287 M CB 2.565 35.186 32.600 0.036 0.000 1.719 287 M HN 0.156 nan 8.290 nan 0.000 0.457 288 S N 1.217 117.056 115.700 0.232 0.000 2.594 288 S HA 0.694 5.164 4.470 -0.000 0.000 0.296 288 S C -2.756 171.806 174.600 -0.063 0.000 1.124 288 S CA -1.060 57.272 58.200 0.220 0.000 1.011 288 S CB 1.777 65.209 63.200 0.387 0.000 1.016 288 S HN 0.511 nan 8.310 nan 0.000 0.485 289 P HA 0.280 nan 4.420 nan 0.000 0.269 289 P C -2.653 174.707 177.300 0.101 0.000 1.215 289 P CA -1.286 61.743 63.100 -0.119 0.000 0.780 289 P CB -0.545 30.998 31.700 -0.263 0.000 0.898 290 P HA 0.052 nan 4.420 nan 0.000 0.270 290 P C -0.044 177.390 177.300 0.222 0.000 1.223 290 P CA 0.105 63.305 63.100 0.168 0.000 0.785 290 P CB 0.277 32.003 31.700 0.043 0.000 0.923 291 L N 2.015 123.363 121.223 0.208 0.000 2.506 291 L HA 0.045 4.385 4.340 -0.000 0.000 0.281 291 L C 1.395 178.327 176.870 0.104 0.000 1.228 291 L CA 0.434 55.385 54.840 0.186 0.000 0.850 291 L CB -0.138 41.982 42.059 0.102 0.000 1.110 291 L HN 0.335 nan 8.230 nan 0.000 0.496 292 R N 1.015 121.564 120.500 0.083 0.000 2.923 292 R HA 0.261 4.601 4.340 -0.000 0.000 0.252 292 R C -0.705 175.609 176.300 0.022 0.000 1.130 292 R CA -1.023 55.084 56.100 0.013 0.000 1.043 292 R CB 0.566 30.836 30.300 -0.049 0.000 1.205 292 R HN 0.576 nan 8.270 nan 0.000 0.495 293 D N 2.008 122.409 120.400 0.002 0.000 2.525 293 D HA -0.090 4.550 4.640 -0.000 0.000 0.235 293 D C 0.907 177.223 176.300 0.027 0.000 1.137 293 D CA 0.403 54.408 54.000 0.009 0.000 0.868 293 D CB 0.974 41.773 40.800 -0.003 0.000 1.180 293 D HN 0.433 nan 8.370 nan 0.000 0.465 294 K N 4.464 124.891 120.400 0.045 0.000 2.286 294 K HA -0.229 4.091 4.320 -0.000 0.000 0.203 294 K C 1.775 178.414 176.600 0.065 0.000 1.045 294 K CA 1.082 57.411 56.287 0.069 0.000 0.935 294 K CB -0.269 32.278 32.500 0.077 0.000 0.737 294 K HN 0.470 nan 8.250 nan 0.000 0.460 295 R N 0.950 121.475 120.500 0.042 0.000 2.211 295 R HA -0.098 4.242 4.340 -0.000 0.000 0.240 295 R C 1.314 177.639 176.300 0.042 0.000 1.144 295 R CA 1.585 57.709 56.100 0.041 0.000 0.992 295 R CB -0.697 29.617 30.300 0.024 0.000 0.869 295 R HN 0.286 nan 8.270 nan 0.000 0.462 296 N N 1.170 119.884 118.700 0.023 0.000 2.396 296 N HA -0.106 4.634 4.740 -0.000 0.000 0.180 296 N C 1.599 177.114 175.510 0.008 0.000 1.028 296 N CA 1.051 54.097 53.050 -0.008 0.000 0.893 296 N CB -0.039 38.415 38.487 -0.054 0.000 0.967 296 N HN 0.515 nan 8.380 nan 0.000 0.440 297 Q N 1.111 120.959 119.800 0.079 0.000 2.061 297 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 297 Q C 2.040 178.232 176.000 0.320 0.000 0.984 297 Q CA 1.374 57.288 55.803 0.184 0.000 0.846 297 Q CB -0.109 28.812 28.738 0.306 0.000 0.902 297 Q HN 0.303 nan 8.270 nan 0.000 0.421 298 K N 0.585 121.142 120.400 0.261 0.000 2.097 298 K HA -0.143 4.176 4.320 -0.000 0.000 0.206 298 K C 1.993 178.724 176.600 0.218 0.000 1.049 298 K CA 1.094 57.541 56.287 0.266 0.000 0.933 298 K CB 0.043 32.636 32.500 0.155 0.000 0.717 298 K HN 0.024 nan 8.250 nan 0.000 0.442 299 V N 1.864 121.854 119.914 0.128 0.000 2.287 299 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 299 V C 2.329 178.468 176.094 0.074 0.000 1.053 299 V CA 1.693 64.045 62.300 0.087 0.000 1.027 299 V CB -0.359 31.485 31.823 0.034 0.000 0.646 299 V HN 0.335 nan 8.190 nan 0.000 0.447 300 L N -2.010 119.199 121.223 -0.023 0.000 2.027 300 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 300 L C 2.454 179.394 176.870 0.118 0.000 1.074 300 L CA 1.912 56.655 54.840 -0.161 0.000 0.745 300 L CB -0.594 41.026 42.059 -0.731 0.000 0.898 300 L HN 0.372 nan 8.230 nan 0.000 0.433 301 W N 0.835 122.295 121.300 0.266 0.000 2.335 301 W HA -0.214 4.446 4.660 -0.000 0.000 0.311 301 W C 2.431 179.046 176.519 0.160 0.000 1.213 301 W CA 0.923 58.454 57.345 0.309 0.000 1.274 301 W CB -0.312 29.290 29.460 0.237 0.000 1.148 301 W HN 0.165 nan 8.180 nan 0.000 0.498 302 D N -0.204 120.392 120.400 0.326 0.000 2.117 302 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 302 D C 2.198 178.535 176.300 0.062 0.000 0.987 302 D CA 1.872 55.972 54.000 0.167 0.000 0.829 302 D CB -0.910 39.969 40.800 0.131 0.000 0.961 302 D HN 0.122 nan 8.370 nan 0.000 0.460 303 A N 0.458 123.345 122.820 0.113 0.000 1.930 303 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 303 A C 2.154 179.762 177.584 0.039 0.000 1.175 303 A CA 0.797 52.888 52.037 0.090 0.000 0.627 303 A CB -0.600 18.539 19.000 0.231 0.000 0.815 303 A HN 0.223 nan 8.150 nan 0.000 0.443 304 L N -0.223 121.086 121.223 0.143 0.000 2.027 304 L HA -0.040 4.299 4.340 -0.000 0.000 0.206 304 L C 2.712 179.629 176.870 0.078 0.000 1.074 304 L CA 2.094 57.023 54.840 0.148 0.000 0.745 304 L CB -0.672 41.515 42.059 0.213 0.000 0.898 304 L HN 0.330 nan 8.230 nan 0.000 0.433 305 A N -1.443 121.429 122.820 0.086 0.000 1.978 305 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 305 A C 2.081 179.627 177.584 -0.063 0.000 1.170 305 A CA 1.609 53.672 52.037 0.043 0.000 0.636 305 A CB -0.448 18.588 19.000 0.059 0.000 0.810 305 A HN 0.616 nan 8.150 nan 0.000 0.448 306 Q N -1.751 117.909 119.800 -0.233 0.000 2.360 306 Q HA 0.176 4.515 4.340 -0.000 0.000 0.202 306 Q C 1.173 176.996 176.000 -0.294 0.000 0.915 306 Q CA 0.713 56.265 55.803 -0.419 0.000 0.943 306 Q CB 0.342 28.481 28.738 -0.999 0.000 1.064 306 Q HN 0.956 nan 8.270 nan 0.000 0.511 307 G N 0.666 109.402 108.800 -0.107 0.000 2.148 307 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 307 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 307 G C 0.488 175.518 174.900 0.216 0.000 0.981 307 G CA 0.323 45.459 45.100 0.059 0.000 0.670 307 G HN 0.307 nan 8.290 nan 0.000 0.528 308 F N 0.270 120.259 119.950 0.064 0.000 2.186 308 F HA 0.303 4.830 4.527 -0.000 0.000 0.299 308 F C 1.982 177.809 175.800 0.044 0.000 1.090 308 F CA -0.152 57.875 58.000 0.046 0.000 1.307 308 F CB -0.373 38.649 39.000 0.036 0.000 1.019 308 F HN 0.205 nan 8.300 nan 0.000 0.489 309 I N 1.114 121.834 120.570 0.251 0.000 2.325 309 I HA 0.045 4.215 4.170 -0.000 0.000 0.291 309 I C 0.996 177.202 176.117 0.149 0.000 1.019 309 I CA -0.189 61.210 61.300 0.164 0.000 1.302 309 I CB 1.035 39.134 38.000 0.165 0.000 1.401 309 I HN -0.006 nan 8.210 nan 0.000 0.485 310 D N 3.470 123.951 120.400 0.134 0.000 2.120 310 D HA -0.030 4.610 4.640 -0.000 0.000 0.202 310 D C 0.845 177.217 176.300 0.119 0.000 0.972 310 D CA 1.366 55.447 54.000 0.134 0.000 0.837 310 D CB 0.377 41.280 40.800 0.171 0.000 0.989 310 D HN 0.625 nan 8.370 nan 0.000 0.469 311 T N -1.915 112.721 114.554 0.137 0.000 2.906 311 T HA 0.582 4.931 4.350 -0.000 0.000 0.295 311 T C -0.547 174.248 174.700 0.158 0.000 1.075 311 T CA -0.871 61.328 62.100 0.164 0.000 1.005 311 T CB 2.665 71.707 68.868 0.291 0.000 1.136 311 T HN -0.240 nan 8.240 nan 0.000 0.498 312 V N 1.612 121.603 119.914 0.129 0.000 2.407 312 V HA 0.754 4.874 4.120 -0.000 0.000 0.291 312 V C 0.772 176.948 176.094 0.138 0.000 1.018 312 V CA -0.231 62.137 62.300 0.114 0.000 0.842 312 V CB 0.990 32.792 31.823 -0.036 0.000 0.996 312 V HN 1.294 nan 8.190 nan 0.000 0.426 313 G N 2.698 111.611 108.800 0.189 0.000 2.971 313 G HA2 0.589 4.549 3.960 -0.000 0.000 0.235 313 G HA3 0.589 4.549 3.960 -0.000 0.000 0.235 313 G C 0.693 175.674 174.900 0.135 0.000 1.351 313 G CA 0.413 45.627 45.100 0.189 0.000 1.039 313 G HN 0.652 nan 8.290 nan 0.000 0.563 314 T N -4.150 110.474 114.554 0.116 0.000 2.964 314 T HA 0.151 4.501 4.350 -0.000 0.000 0.250 314 T C 0.805 175.524 174.700 0.032 0.000 0.982 314 T CA 1.162 63.316 62.100 0.091 0.000 0.959 314 T CB 0.145 69.087 68.868 0.123 0.000 1.141 314 T HN 0.557 nan 8.240 nan 0.000 0.494 315 D N 1.627 121.954 120.400 -0.123 0.000 2.751 315 D HA -0.228 4.412 4.640 -0.000 0.000 0.233 315 D C -0.112 176.264 176.300 0.127 0.000 1.149 315 D CA 0.620 54.489 54.000 -0.218 0.000 0.682 315 D CB -2.351 38.329 40.800 -0.199 0.000 1.068 315 D HN 0.855 nan 8.370 nan 0.000 0.429 316 H N 0.050 119.161 119.070 0.068 0.000 3.167 316 H HA 0.191 4.747 4.556 -0.000 0.000 0.306 316 H C -0.298 175.093 175.328 0.105 0.000 0.965 316 H CA 1.222 57.304 56.048 0.057 0.000 1.408 316 H CB 0.243 30.015 29.762 0.018 0.000 1.406 316 H HN 0.260 nan 8.280 nan 0.000 0.576 317 C N 9.949 129.002 119.300 -0.411 0.000 3.354 317 C HA 0.297 4.757 4.460 -0.000 0.000 0.314 317 C C -2.987 171.695 174.990 -0.513 0.000 1.019 317 C CA -1.125 57.694 59.018 -0.331 0.000 1.293 317 C CB -0.126 27.565 27.740 -0.081 0.000 1.747 317 C HN 0.776 nan 8.230 nan 0.000 0.580 318 P HA 0.574 nan 4.420 nan 0.000 0.290 318 P C -1.086 175.763 177.300 -0.751 0.000 1.276 318 P CA -0.035 62.703 63.100 -0.604 0.000 0.808 318 P CB 1.068 32.458 31.700 -0.517 0.000 0.966 319 F N 0.453 120.304 119.950 -0.165 0.000 2.578 319 F HA 0.286 4.813 4.527 -0.000 0.000 0.311 319 F C 0.644 176.453 175.800 0.015 0.000 1.094 319 F CA -0.657 57.290 58.000 -0.088 0.000 0.923 319 F CB 1.426 40.346 39.000 -0.134 0.000 1.230 319 F HN 0.129 nan 8.300 nan 0.000 0.450 320 D N 0.471 120.988 120.400 0.195 0.000 2.368 320 D HA 0.068 4.707 4.640 -0.000 0.000 0.240 320 D C 1.406 177.800 176.300 0.156 0.000 1.169 320 D CA 0.423 54.520 54.000 0.162 0.000 0.906 320 D CB 1.277 42.137 40.800 0.099 0.000 1.187 320 D HN 0.753 nan 8.370 nan 0.000 0.435 321 T N -1.476 113.149 114.554 0.118 0.000 2.759 321 T HA -0.251 4.098 4.350 -0.000 0.000 0.269 321 T C 1.459 176.153 174.700 -0.011 0.000 1.042 321 T CA 1.454 63.553 62.100 -0.001 0.000 1.140 321 T CB -0.125 68.718 68.868 -0.042 0.000 0.864 321 T HN 0.572 nan 8.240 nan 0.000 0.455 322 E N 1.126 121.338 120.200 0.020 0.000 2.153 322 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 322 E C 2.363 178.967 176.600 0.008 0.000 0.988 322 E CA 1.079 57.487 56.400 0.013 0.000 0.811 322 E CB -0.194 29.522 29.700 0.027 0.000 0.746 322 E HN 0.722 nan 8.360 nan 0.000 0.466 323 Q N 0.040 119.856 119.800 0.026 0.000 2.079 323 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 323 Q C 2.254 178.173 176.000 -0.135 0.000 0.974 323 Q CA 0.931 56.728 55.803 -0.009 0.000 0.840 323 Q CB -0.002 28.786 28.738 0.082 0.000 0.898 323 Q HN 0.060 nan 8.270 nan 0.000 0.430 324 K N 1.007 121.325 120.400 -0.137 0.000 2.089 324 K HA -0.158 4.161 4.320 -0.000 0.000 0.210 324 K C 1.958 178.470 176.600 -0.146 0.000 1.048 324 K CA 1.147 57.314 56.287 -0.200 0.000 0.926 324 K CB -0.471 31.922 32.500 -0.179 0.000 0.714 324 K HN 0.269 nan 8.250 nan 0.000 0.448 325 L N 1.042 122.211 121.223 -0.089 0.000 2.549 325 L HA -0.085 4.255 4.340 -0.000 0.000 0.229 325 L C 2.067 178.914 176.870 -0.038 0.000 1.158 325 L CA 0.130 54.937 54.840 -0.055 0.000 0.842 325 L CB -0.336 41.702 42.059 -0.036 0.000 0.952 325 L HN 0.100 nan 8.230 nan 0.000 0.452 326 L N -0.384 120.815 121.223 -0.041 0.000 2.265 326 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 326 L C 2.075 178.940 176.870 -0.010 0.000 1.117 326 L CA 1.006 55.842 54.840 -0.007 0.000 0.782 326 L CB -0.612 41.474 42.059 0.045 0.000 0.914 326 L HN 0.333 nan 8.230 nan 0.000 0.441 327 G N -0.092 108.687 108.800 -0.035 0.000 3.383 327 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.251 327 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.251 327 G C 1.399 176.299 174.900 0.001 0.000 1.203 327 G CA -0.204 44.884 45.100 -0.020 0.000 0.852 327 G HN 0.444 nan 8.290 nan 0.000 0.531 328 K N 0.183 120.581 120.400 -0.003 0.000 2.147 328 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 328 K C 1.357 177.972 176.600 0.025 0.000 1.049 328 K CA 1.009 57.302 56.287 0.010 0.000 0.936 328 K CB 0.067 32.567 32.500 0.001 0.000 0.722 328 K HN 0.088 nan 8.250 nan 0.000 0.446 329 E N 0.621 120.829 120.200 0.014 0.000 2.340 329 E HA 0.167 4.517 4.350 -0.000 0.000 0.194 329 E C 0.063 176.672 176.600 0.015 0.000 0.996 329 E CA 0.511 56.920 56.400 0.014 0.000 0.869 329 E CB 0.901 30.599 29.700 -0.003 0.000 0.835 329 E HN 0.432 nan 8.360 nan 0.000 0.493 330 A N 0.423 123.242 122.820 -0.001 0.000 2.488 330 A HA 0.394 4.714 4.320 -0.000 0.000 0.295 330 A C 0.107 177.654 177.584 -0.061 0.000 1.045 330 A CA -0.742 51.260 52.037 -0.059 0.000 0.703 330 A CB 0.141 19.057 19.000 -0.139 0.000 1.271 330 A HN 0.092 nan 8.150 nan 0.000 0.400 331 F N 1.421 121.414 119.950 0.072 0.000 2.365 331 F HA -0.038 4.489 4.527 -0.000 0.000 0.300 331 F C 1.931 177.769 175.800 0.064 0.000 1.090 331 F CA 1.674 59.716 58.000 0.070 0.000 1.408 331 F CB -1.031 38.055 39.000 0.143 0.000 1.060 331 F HN 0.449 nan 8.300 nan 0.000 0.534 332 T N -1.898 112.356 114.554 -0.499 0.000 3.007 332 T HA 0.161 4.511 4.350 -0.000 0.000 0.270 332 T C 1.683 176.349 174.700 -0.058 0.000 1.107 332 T CA 0.702 62.660 62.100 -0.236 0.000 1.118 332 T CB -0.476 68.193 68.868 -0.331 0.000 0.889 332 T HN 0.421 nan 8.240 nan 0.000 0.506 333 A N 0.631 123.418 122.820 -0.055 0.000 2.348 333 A HA 0.505 4.825 4.320 -0.000 0.000 0.224 333 A C 0.780 178.397 177.584 0.056 0.000 1.227 333 A CA -0.536 51.518 52.037 0.028 0.000 0.885 333 A CB -0.337 18.653 19.000 -0.016 0.000 0.933 333 A HN 0.588 nan 8.150 nan 0.000 0.506 334 I N 2.865 123.412 120.570 -0.039 0.000 2.517 334 I HA 0.133 4.303 4.170 -0.000 0.000 0.285 334 I C -2.065 173.803 176.117 -0.414 0.000 1.106 334 I CA -1.803 59.384 61.300 -0.188 0.000 1.402 334 I CB 0.865 38.768 38.000 -0.161 0.000 1.399 334 I HN 0.102 nan 8.210 nan 0.000 0.535 335 P HA -0.005 nan 4.420 nan 0.000 0.267 335 P C -0.860 175.888 177.300 -0.919 0.000 1.209 335 P CA 0.134 62.242 63.100 -1.653 0.000 0.763 335 P CB 0.343 30.275 31.700 -2.948 0.000 0.816 336 N N 1.594 119.978 118.700 -0.528 0.000 2.514 336 N HA 0.488 5.228 4.740 -0.000 0.000 0.277 336 N C 0.382 175.873 175.510 -0.032 0.000 1.126 336 N CA 0.216 53.147 53.050 -0.199 0.000 0.978 336 N CB 0.892 39.366 38.487 -0.021 0.000 1.106 336 N HN 0.614 nan 8.380 nan 0.000 0.461 337 G N 1.306 110.120 108.800 0.024 0.000 2.329 337 G HA2 0.171 4.131 3.960 -0.000 0.000 0.308 337 G HA3 0.171 4.131 3.960 -0.000 0.000 0.308 337 G C -1.555 173.370 174.900 0.042 0.000 1.587 337 G CA -0.853 44.291 45.100 0.073 0.000 0.978 337 G HN 0.420 nan 8.290 nan 0.000 0.685 338 I N 1.807 122.362 120.570 -0.025 0.000 2.582 338 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 338 I C -2.288 173.745 176.117 -0.140 0.000 1.066 338 I CA -2.435 58.819 61.300 -0.077 0.000 1.053 338 I CB 3.211 41.156 38.000 -0.092 0.000 1.241 338 I HN 0.267 nan 8.210 nan 0.000 0.421 339 P HA 0.297 nan 4.420 nan 0.000 0.278 339 P C -0.242 177.145 177.300 0.146 0.000 1.238 339 P CA -0.201 62.810 63.100 -0.147 0.000 0.794 339 P CB 1.670 33.214 31.700 -0.260 0.000 0.955 340 A N 2.330 125.394 122.820 0.406 0.000 2.654 340 A HA 0.101 4.421 4.320 -0.000 0.000 0.203 340 A C 1.412 179.061 177.584 0.109 0.000 1.306 340 A CA -0.109 52.093 52.037 0.276 0.000 1.041 340 A CB -1.046 18.127 19.000 0.288 0.000 1.217 340 A HN 0.476 nan 8.150 nan 0.000 0.510 341 I N 0.373 120.914 120.570 -0.048 0.000 2.264 341 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 341 I C 2.004 178.035 176.117 -0.144 0.000 1.111 341 I CA 2.218 63.356 61.300 -0.271 0.000 1.382 341 I CB 0.164 37.704 38.000 -0.765 0.000 1.060 341 I HN 0.596 nan 8.210 nan 0.000 0.418 342 E N -0.087 120.054 120.200 -0.098 0.000 2.371 342 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 342 E C 0.900 177.502 176.600 0.004 0.000 1.012 342 E CA 0.861 57.244 56.400 -0.029 0.000 0.860 342 E CB 0.226 29.932 29.700 0.011 0.000 0.811 342 E HN 0.519 nan 8.360 nan 0.000 0.502 343 D N -0.478 119.916 120.400 -0.010 0.000 2.441 343 D HA 0.002 4.642 4.640 -0.000 0.000 0.210 343 D C 1.539 177.779 176.300 -0.101 0.000 1.102 343 D CA -0.098 53.880 54.000 -0.037 0.000 0.840 343 D CB 0.085 40.849 40.800 -0.060 0.000 0.990 343 D HN 0.104 nan 8.370 nan 0.000 0.505 344 R N 1.296 121.743 120.500 -0.089 0.000 2.080 344 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 344 R C 1.834 178.084 176.300 -0.084 0.000 1.137 344 R CA 1.410 57.449 56.100 -0.102 0.000 0.943 344 R CB -0.238 30.027 30.300 -0.057 0.000 0.846 344 R HN -0.073 nan 8.270 nan 0.000 0.431 345 V N 1.982 121.836 119.914 -0.099 0.000 2.261 345 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 345 V C 2.002 178.108 176.094 0.020 0.000 1.047 345 V CA 2.095 64.292 62.300 -0.171 0.000 1.015 345 V CB -0.726 30.847 31.823 -0.416 0.000 0.642 345 V HN 0.441 nan 8.190 nan 0.000 0.446 346 N N 0.289 119.042 118.700 0.088 0.000 2.104 346 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 346 N C 1.798 177.418 175.510 0.184 0.000 1.024 346 N CA 1.402 54.574 53.050 0.203 0.000 0.853 346 N CB -0.477 38.123 38.487 0.188 0.000 1.008 346 N HN 0.404 nan 8.380 nan 0.000 0.424 347 L N 0.022 121.309 121.223 0.106 0.000 2.056 347 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 347 L C 2.210 179.227 176.870 0.246 0.000 1.078 347 L CA 0.591 55.540 54.840 0.181 0.000 0.749 347 L CB -0.385 41.629 42.059 -0.076 0.000 0.901 347 L HN 0.101 nan 8.230 nan 0.000 0.433 348 L N -1.081 120.227 121.223 0.141 0.000 2.046 348 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 348 L C 2.439 179.334 176.870 0.041 0.000 1.077 348 L CA 1.716 56.663 54.840 0.177 0.000 0.747 348 L CB -0.705 41.447 42.059 0.155 0.000 0.896 348 L HN 0.183 nan 8.230 nan 0.000 0.432 349 Y N -0.325 119.833 120.300 -0.235 0.000 2.145 349 Y HA -0.274 4.276 4.550 -0.000 0.000 0.286 349 Y C 2.416 178.128 175.900 -0.314 0.000 1.145 349 Y CA 2.393 60.127 58.100 -0.610 0.000 1.148 349 Y CB -0.588 37.554 38.460 -0.530 0.000 0.981 349 Y HN 0.169 nan 8.280 nan 0.000 0.507 350 T N -0.528 113.909 114.554 -0.195 0.000 2.701 350 T HA -0.183 4.167 4.350 -0.000 0.000 0.263 350 T C 1.404 175.736 174.700 -0.614 0.000 1.040 350 T CA 1.982 63.832 62.100 -0.417 0.000 1.147 350 T CB -0.601 68.016 68.868 -0.418 0.000 0.865 350 T HN 0.375 nan 8.240 nan 0.000 0.426 351 Y N 0.787 121.026 120.300 -0.102 0.000 2.519 351 Y HA 0.287 4.837 4.550 -0.000 0.000 0.287 351 Y C 2.429 178.035 175.900 -0.491 0.000 1.128 351 Y CA 0.150 58.124 58.100 -0.210 0.000 1.282 351 Y CB -0.450 37.988 38.460 -0.037 0.000 1.027 351 Y HN 0.252 nan 8.280 nan 0.000 0.551 352 G N -0.746 107.905 108.800 -0.247 0.000 2.615 352 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.213 352 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.213 352 G C 1.560 176.287 174.900 -0.289 0.000 1.215 352 G CA 0.845 45.807 45.100 -0.230 0.000 0.843 352 G HN 0.129 nan 8.290 nan 0.000 0.571 353 V N 0.785 120.437 119.914 -0.438 0.000 2.273 353 V HA -0.093 4.027 4.120 -0.000 0.000 0.242 353 V C 2.983 178.781 176.094 -0.493 0.000 1.035 353 V CA 2.212 64.209 62.300 -0.504 0.000 1.013 353 V CB -0.445 30.931 31.823 -0.745 0.000 0.652 353 V HN 0.441 nan 8.190 nan 0.000 0.452 354 S N -0.131 115.158 115.700 -0.686 0.000 2.368 354 S HA -0.157 4.313 4.470 -0.000 0.000 0.225 354 S C 1.985 176.407 174.600 -0.297 0.000 1.030 354 S CA 1.629 59.552 58.200 -0.461 0.000 0.999 354 S CB -0.130 62.788 63.200 -0.470 0.000 0.844 354 S HN 0.588 nan 8.310 nan 0.000 0.459 355 R N -0.271 120.036 120.500 -0.322 0.000 2.437 355 R HA 0.310 4.650 4.340 -0.000 0.000 0.257 355 R C 0.990 177.161 176.300 -0.215 0.000 0.927 355 R CA 0.281 56.241 56.100 -0.234 0.000 1.078 355 R CB 0.881 31.037 30.300 -0.240 0.000 1.161 355 R HN 0.405 nan 8.270 nan 0.000 0.529 356 G N -0.066 108.579 108.800 -0.258 0.000 3.212 356 G HA2 0.266 4.226 3.960 -0.000 0.000 0.188 356 G HA3 0.266 4.226 3.960 -0.000 0.000 0.188 356 G C 0.084 174.877 174.900 -0.178 0.000 1.254 356 G CA -0.548 44.398 45.100 -0.258 0.000 0.957 356 G HN 0.013 nan 8.290 nan 0.000 0.596 357 R N -1.141 119.272 120.500 -0.144 0.000 2.437 357 R HA 0.230 4.570 4.340 -0.000 0.000 0.257 357 R C 0.013 176.296 176.300 -0.028 0.000 0.927 357 R CA -0.448 55.609 56.100 -0.070 0.000 1.078 357 R CB 0.346 30.623 30.300 -0.038 0.000 1.161 357 R HN 0.245 nan 8.270 nan 0.000 0.529 358 L N 2.263 123.471 121.223 -0.025 0.000 2.410 358 L HA 0.071 4.411 4.340 -0.000 0.000 0.273 358 L C 0.160 177.033 176.870 0.004 0.000 1.144 358 L CA 0.377 55.243 54.840 0.044 0.000 0.863 358 L CB 0.439 42.567 42.059 0.115 0.000 1.140 358 L HN 0.003 nan 8.230 nan 0.000 0.463 359 D N 3.614 124.040 120.400 0.044 0.000 2.372 359 D HA -0.053 4.587 4.640 -0.000 0.000 0.243 359 D C 1.277 177.607 176.300 0.051 0.000 1.121 359 D CA 0.023 54.048 54.000 0.042 0.000 0.898 359 D CB 1.080 41.938 40.800 0.097 0.000 1.202 359 D HN 0.754 nan 8.370 nan 0.000 0.428 360 I N 3.615 124.165 120.570 -0.032 0.000 2.361 360 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 360 I C 1.902 178.047 176.117 0.046 0.000 1.133 360 I CA 1.001 62.292 61.300 -0.014 0.000 1.413 360 I CB 0.022 37.944 38.000 -0.131 0.000 1.073 360 I HN 0.469 nan 8.210 nan 0.000 0.424 361 H N -0.087 119.075 119.070 0.154 0.000 2.357 361 H HA -0.140 4.416 4.556 -0.000 0.000 0.301 361 H C 2.204 177.595 175.328 0.105 0.000 1.082 361 H CA 1.393 57.516 56.048 0.124 0.000 1.342 361 H CB -0.302 29.514 29.762 0.090 0.000 1.389 361 H HN 0.219 nan 8.280 nan 0.000 0.511 362 R N 0.933 121.561 120.500 0.213 0.000 2.120 362 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 362 R C 2.201 178.589 176.300 0.146 0.000 1.123 362 R CA 0.844 57.034 56.100 0.149 0.000 0.975 362 R CB -0.867 29.509 30.300 0.127 0.000 0.866 362 R HN 0.228 nan 8.270 nan 0.000 0.446 363 F N -0.222 119.733 119.950 0.008 0.000 2.075 363 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 363 F C 1.720 177.518 175.800 -0.004 0.000 1.113 363 F CA 1.650 59.631 58.000 -0.033 0.000 1.218 363 F CB -0.667 38.284 39.000 -0.082 0.000 0.984 363 F HN -0.143 nan 8.300 nan 0.000 0.472 364 V N 0.753 120.527 119.914 -0.234 0.000 2.343 364 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 364 V C 2.146 178.156 176.094 -0.140 0.000 1.051 364 V CA 2.334 64.460 62.300 -0.290 0.000 1.036 364 V CB -0.891 30.884 31.823 -0.079 0.000 0.654 364 V HN 0.399 nan 8.190 nan 0.000 0.451 365 D N 0.236 120.615 120.400 -0.034 0.000 2.097 365 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 365 D C 2.100 178.390 176.300 -0.016 0.000 0.989 365 D CA 1.549 55.543 54.000 -0.010 0.000 0.827 365 D CB -0.170 40.647 40.800 0.029 0.000 0.966 365 D HN 0.370 nan 8.370 nan 0.000 0.456 366 A N -0.201 122.609 122.820 -0.018 0.000 2.014 366 A HA 0.214 4.534 4.320 -0.000 0.000 0.218 366 A C 2.097 179.669 177.584 -0.019 0.000 1.163 366 A CA 1.705 53.743 52.037 0.001 0.000 0.652 366 A CB -0.383 18.625 19.000 0.013 0.000 0.808 366 A HN 0.295 nan 8.150 nan 0.000 0.449 367 A N -2.268 120.493 122.820 -0.098 0.000 2.303 367 A HA 0.485 4.805 4.320 -0.000 0.000 0.217 367 A C 1.681 179.323 177.584 0.097 0.000 1.205 367 A CA 1.260 53.262 52.037 -0.058 0.000 0.875 367 A CB -0.046 18.766 19.000 -0.313 0.000 0.910 367 A HN 0.465 nan 8.150 nan 0.000 0.501 368 S N -2.237 113.479 115.700 0.028 0.000 4.098 368 S HA 0.019 4.489 4.470 -0.000 0.000 0.193 368 S C 1.790 176.395 174.600 0.009 0.000 1.049 368 S CA 1.111 59.309 58.200 -0.003 0.000 1.034 368 S CB -0.471 62.620 63.200 -0.181 0.000 1.380 368 S HN 0.326 nan 8.310 nan 0.000 0.629 369 T N 2.321 116.867 114.554 -0.014 0.000 2.708 369 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 369 T C 1.809 176.482 174.700 -0.046 0.000 1.037 369 T CA 1.763 63.864 62.100 0.001 0.000 1.146 369 T CB -0.348 68.520 68.868 0.000 0.000 0.865 369 T HN 0.261 nan 8.240 nan 0.000 0.435 370 K N 1.807 122.181 120.400 -0.043 0.000 2.097 370 K HA 0.153 4.473 4.320 -0.000 0.000 0.205 370 K C 2.232 178.794 176.600 -0.064 0.000 1.050 370 K CA 1.283 57.524 56.287 -0.077 0.000 0.938 370 K CB -0.777 31.708 32.500 -0.025 0.000 0.718 370 K HN 0.273 nan 8.250 nan 0.000 0.442 371 A N 0.427 123.274 122.820 0.045 0.000 1.898 371 A HA 0.008 4.328 4.320 -0.000 0.000 0.216 371 A C 2.360 180.019 177.584 0.125 0.000 1.181 371 A CA 1.835 53.962 52.037 0.150 0.000 0.620 371 A CB -1.025 18.129 19.000 0.258 0.000 0.819 371 A HN 0.381 nan 8.150 nan 0.000 0.442 372 A N 0.084 122.958 122.820 0.089 0.000 1.883 372 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 372 A C 2.121 179.736 177.584 0.051 0.000 1.186 372 A CA 2.005 54.108 52.037 0.109 0.000 0.624 372 A CB -0.521 18.575 19.000 0.159 0.000 0.822 372 A HN 0.548 nan 8.150 nan 0.000 0.444 373 K N -0.502 119.837 120.400 -0.102 0.000 2.009 373 K HA -0.081 4.239 4.320 -0.000 0.000 0.210 373 K C 1.890 178.357 176.600 -0.221 0.000 1.049 373 K CA 1.593 57.738 56.287 -0.237 0.000 0.929 373 K CB -0.443 31.790 32.500 -0.445 0.000 0.714 373 K HN 0.467 nan 8.250 nan 0.000 0.440 374 L N -0.413 120.599 121.223 -0.351 0.000 2.131 374 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 374 L C 1.390 177.899 176.870 -0.602 0.000 1.092 374 L CA 0.983 55.471 54.840 -0.586 0.000 0.759 374 L CB -0.094 41.368 42.059 -0.994 0.000 0.903 374 L HN 0.114 nan 8.230 nan 0.000 0.435 375 F N -0.672 119.255 119.950 -0.038 0.000 2.639 375 F HA 0.346 4.873 4.527 -0.000 0.000 0.302 375 F C 1.550 177.328 175.800 -0.037 0.000 1.097 375 F CA 0.042 58.021 58.000 -0.034 0.000 1.294 375 F CB 0.043 39.012 39.000 -0.051 0.000 1.027 375 F HN 0.063 nan 8.300 nan 0.000 0.550 376 G N 0.646 109.478 108.800 0.053 0.000 2.143 376 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.248 376 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.248 376 G C 0.889 175.815 174.900 0.044 0.000 0.991 376 G CA 0.548 45.665 45.100 0.028 0.000 0.689 376 G HN 0.440 nan 8.290 nan 0.000 0.522 377 L N -1.315 119.954 121.223 0.076 0.000 2.529 377 L HA 0.436 4.776 4.340 -0.000 0.000 0.223 377 L C 1.388 178.306 176.870 0.080 0.000 1.113 377 L CA -0.272 54.596 54.840 0.048 0.000 0.861 377 L CB 0.063 42.147 42.059 0.042 0.000 1.012 377 L HN 0.284 nan 8.230 nan 0.000 0.461 378 F N 3.306 123.230 119.950 -0.044 0.000 2.375 378 F HA 0.309 4.836 4.527 -0.000 0.000 0.333 378 F C -1.450 174.321 175.800 -0.048 0.000 1.104 378 F CA -1.901 56.072 58.000 -0.045 0.000 1.149 378 F CB 0.908 39.880 39.000 -0.047 0.000 1.190 378 F HN -0.182 nan 8.300 nan 0.000 0.533 379 P HA 0.166 nan 4.420 nan 0.000 0.262 379 P C 0.849 177.894 177.300 -0.426 0.000 1.304 379 P CA 0.389 62.872 63.100 -1.028 0.000 0.859 379 P CB 0.160 31.248 31.700 -1.019 0.000 1.310 380 R N 0.187 120.550 120.500 -0.229 0.000 2.091 380 R HA -0.038 4.302 4.340 -0.000 0.000 0.238 380 R C 0.591 176.822 176.300 -0.115 0.000 1.136 380 R CA 1.137 57.148 56.100 -0.148 0.000 0.959 380 R CB -0.037 30.198 30.300 -0.110 0.000 0.856 380 R HN 0.162 nan 8.270 nan 0.000 0.437 381 K N -1.446 118.909 120.400 -0.076 0.000 2.295 381 K HA 0.359 4.679 4.320 -0.000 0.000 0.239 381 K C 0.514 177.136 176.600 0.036 0.000 0.991 381 K CA -0.100 56.171 56.287 -0.028 0.000 0.845 381 K CB 1.769 34.263 32.500 -0.010 0.000 1.197 381 K HN 0.249 nan 8.250 nan 0.000 0.441 382 G N -0.297 108.522 108.800 0.031 0.000 2.176 382 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.232 382 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.232 382 G C 0.331 175.281 174.900 0.084 0.000 0.986 382 G CA 0.701 45.848 45.100 0.078 0.000 0.643 382 G HN 0.765 nan 8.290 nan 0.000 0.522 383 T N -1.004 113.575 114.554 0.043 0.000 2.645 383 T HA 0.674 5.024 4.350 -0.000 0.000 0.300 383 T C -1.546 173.163 174.700 0.015 0.000 1.210 383 T CA -0.255 61.879 62.100 0.056 0.000 1.034 383 T CB 1.255 70.211 68.868 0.145 0.000 1.537 383 T HN 0.600 nan 8.240 nan 0.000 0.492 384 I N 1.855 122.453 120.570 0.047 0.000 2.439 384 I HA 0.713 4.883 4.170 -0.000 0.000 0.283 384 I C -0.403 175.753 176.117 0.064 0.000 1.023 384 I CA -0.581 60.748 61.300 0.048 0.000 1.100 384 I CB 1.296 39.339 38.000 0.070 0.000 1.238 384 I HN 0.768 nan 8.210 nan 0.000 0.445 385 A N 4.855 127.690 122.820 0.024 0.000 2.605 385 A HA 0.642 4.962 4.320 -0.000 0.000 0.294 385 A C -0.942 176.639 177.584 -0.006 0.000 1.062 385 A CA -0.558 51.488 52.037 0.014 0.000 0.682 385 A CB 1.383 20.370 19.000 -0.021 0.000 1.278 385 A HN 0.241 nan 8.150 nan 0.000 0.410 386 V N 1.544 121.459 119.914 0.002 0.000 2.644 386 V HA 0.368 4.488 4.120 -0.000 0.000 0.305 386 V C 1.674 177.748 176.094 -0.034 0.000 1.053 386 V CA 2.384 64.680 62.300 -0.006 0.000 1.186 386 V CB 0.343 32.168 31.823 0.004 0.000 0.895 386 V HN 2.455 nan 8.190 nan 0.000 0.490 387 G N 3.844 112.620 108.800 -0.040 0.000 2.241 387 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.244 387 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.244 387 G C 0.421 175.274 174.900 -0.077 0.000 0.998 387 G CA 0.182 45.248 45.100 -0.057 0.000 0.621 387 G HN 0.749 nan 8.290 nan 0.000 0.519 388 S N 1.184 116.836 115.700 -0.080 0.000 2.617 388 S HA 0.499 4.969 4.470 -0.000 0.000 0.269 388 S C -0.011 174.546 174.600 -0.071 0.000 1.292 388 S CA -0.528 57.614 58.200 -0.097 0.000 1.010 388 S CB 0.942 64.076 63.200 -0.110 0.000 0.944 388 S HN 0.335 nan 8.310 nan 0.000 0.536 389 D N 1.705 122.061 120.400 -0.073 0.000 2.488 389 D HA 0.208 4.848 4.640 -0.000 0.000 0.238 389 D C 0.087 176.367 176.300 -0.032 0.000 1.138 389 D CA 0.228 54.197 54.000 -0.052 0.000 0.873 389 D CB 0.423 41.188 40.800 -0.058 0.000 1.183 389 D HN 0.553 nan 8.370 nan 0.000 0.458 390 A N 2.719 125.530 122.820 -0.015 0.000 3.077 390 A HA 0.119 4.439 4.320 -0.000 0.000 0.255 390 A C -0.467 177.129 177.584 0.021 0.000 1.728 390 A CA -0.407 51.626 52.037 -0.006 0.000 1.383 390 A CB -0.360 18.630 19.000 -0.017 0.000 1.097 390 A HN 0.252 nan 8.150 nan 0.000 0.634 391 D N 1.026 121.433 120.400 0.012 0.000 2.412 391 D HA 0.593 5.233 4.640 -0.000 0.000 0.224 391 D C -0.423 175.882 176.300 0.009 0.000 1.093 391 D CA 0.403 54.419 54.000 0.026 0.000 0.850 391 D CB 1.008 41.816 40.800 0.013 0.000 1.046 391 D HN 0.362 nan 8.370 nan 0.000 0.507 392 L N 1.227 122.468 121.223 0.030 0.000 2.434 392 L HA 0.613 4.953 4.340 -0.000 0.000 0.260 392 L C -0.882 176.032 176.870 0.072 0.000 0.983 392 L CA -1.172 53.686 54.840 0.030 0.000 0.820 392 L CB 2.533 44.605 42.059 0.022 0.000 1.361 392 L HN -0.049 nan 8.230 nan 0.000 0.410 393 V N 2.559 122.543 119.914 0.116 0.000 2.444 393 V HA 0.353 4.473 4.120 -0.000 0.000 0.294 393 V C -0.303 175.913 176.094 0.202 0.000 1.022 393 V CA -0.650 61.783 62.300 0.222 0.000 0.850 393 V CB 2.198 34.268 31.823 0.412 0.000 0.992 393 V HN 0.410 nan 8.190 nan 0.000 0.426 394 V N 5.902 125.894 119.914 0.131 0.000 2.368 394 V HA 0.307 4.427 4.120 -0.000 0.000 0.266 394 V C -0.637 175.519 176.094 0.104 0.000 1.045 394 V CA -0.447 61.892 62.300 0.066 0.000 0.899 394 V CB 0.687 32.513 31.823 0.005 0.000 1.006 394 V HN 0.749 nan 8.190 nan 0.000 0.470 395 Y N 3.473 123.754 120.300 -0.031 0.000 2.341 395 Y HA 0.469 5.019 4.550 -0.000 0.000 0.337 395 Y C 0.120 175.919 175.900 -0.168 0.000 1.014 395 Y CA -0.897 57.195 58.100 -0.014 0.000 1.111 395 Y CB 1.516 40.100 38.460 0.207 0.000 1.194 395 Y HN 0.654 nan 8.280 nan 0.000 0.462 396 D N 7.897 127.991 120.400 -0.509 0.000 2.380 396 D HA 0.236 4.876 4.640 -0.000 0.000 0.230 396 D C -2.040 174.054 176.300 -0.344 0.000 1.154 396 D CA -2.503 51.279 54.000 -0.363 0.000 0.859 396 D CB 1.531 42.174 40.800 -0.263 0.000 1.045 396 D HN 0.329 nan 8.370 nan 0.000 0.495 397 P HA -0.013 nan 4.420 nan 0.000 0.249 397 P C 0.467 177.748 177.300 -0.032 0.000 1.229 397 P CA 0.377 63.397 63.100 -0.133 0.000 0.788 397 P CB 0.612 32.122 31.700 -0.317 0.000 1.072 398 Q N -1.581 118.181 119.800 -0.064 0.000 2.282 398 Q HA 0.068 4.408 4.340 -0.000 0.000 0.206 398 Q C 0.275 176.268 176.000 -0.012 0.000 0.878 398 Q CA -0.367 55.418 55.803 -0.031 0.000 0.944 398 Q CB -0.362 28.347 28.738 -0.048 0.000 1.100 398 Q HN 0.354 nan 8.270 nan 0.000 0.509 399 Y N 2.489 122.723 120.300 -0.110 0.000 2.442 399 Y HA 0.094 4.644 4.550 -0.000 0.000 0.330 399 Y C -0.116 175.757 175.900 -0.045 0.000 1.129 399 Y CA 0.186 58.228 58.100 -0.095 0.000 1.365 399 Y CB 0.461 38.828 38.460 -0.156 0.000 1.233 399 Y HN -0.190 nan 8.280 nan 0.000 0.529 400 R N 4.375 124.461 120.500 -0.691 0.000 2.561 400 R HA 0.692 5.032 4.340 -0.000 0.000 0.297 400 R C -0.408 175.535 176.300 -0.595 0.000 0.969 400 R CA -0.510 55.347 56.100 -0.406 0.000 0.879 400 R CB 1.510 31.674 30.300 -0.226 0.000 1.178 400 R HN 0.963 nan 8.270 nan 0.000 0.445 401 G N 0.036 108.705 108.800 -0.218 0.000 2.570 401 G HA2 0.496 4.456 3.960 -0.000 0.000 0.310 401 G HA3 0.496 4.456 3.960 -0.000 0.000 0.310 401 G C -1.270 173.686 174.900 0.094 0.000 1.266 401 G CA -0.273 44.792 45.100 -0.058 0.000 0.825 401 G HN 0.555 nan 8.290 nan 0.000 0.483 402 T N -2.030 112.612 114.554 0.147 0.000 2.896 402 T HA 0.716 5.066 4.350 -0.000 0.000 0.297 402 T C -0.687 174.135 174.700 0.205 0.000 1.108 402 T CA -0.612 61.598 62.100 0.183 0.000 1.004 402 T CB 1.728 70.690 68.868 0.156 0.000 1.159 402 T HN 0.523 nan 8.240 nan 0.000 0.499 403 I N 2.197 122.914 120.570 0.245 0.000 2.396 403 I HA 0.587 4.756 4.170 -0.000 0.000 0.292 403 I C 0.402 176.641 176.117 0.202 0.000 0.999 403 I CA -0.089 61.344 61.300 0.221 0.000 1.310 403 I CB 1.545 39.701 38.000 0.260 0.000 1.404 403 I HN 0.797 nan 8.210 nan 0.000 0.496 404 S N 3.707 119.493 115.700 0.144 0.000 2.547 404 S HA 0.197 4.666 4.470 -0.000 0.000 0.270 404 S C 0.310 174.950 174.600 0.066 0.000 1.150 404 S CA -0.607 57.663 58.200 0.118 0.000 0.850 404 S CB 1.832 65.091 63.200 0.099 0.000 1.118 404 S HN 0.458 nan 8.310 nan 0.000 0.461 405 V N 4.415 124.365 119.914 0.060 0.000 2.568 405 V HA -0.099 4.021 4.120 -0.000 0.000 0.253 405 V C 2.009 178.098 176.094 -0.009 0.000 1.072 405 V CA 2.378 64.689 62.300 0.019 0.000 1.084 405 V CB -0.620 31.226 31.823 0.039 0.000 0.676 405 V HN 0.893 nan 8.190 nan 0.000 0.469 406 K N 0.091 120.496 120.400 0.010 0.000 2.280 406 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 406 K C 1.518 178.095 176.600 -0.040 0.000 1.047 406 K CA 1.733 58.017 56.287 -0.006 0.000 0.942 406 K CB -0.201 32.309 32.500 0.017 0.000 0.739 406 K HN 0.750 nan 8.250 nan 0.000 0.457 407 T N -2.201 112.323 114.554 -0.050 0.000 3.091 407 T HA 0.039 4.389 4.350 -0.000 0.000 0.277 407 T C 0.306 174.865 174.700 -0.234 0.000 0.996 407 T CA -0.713 61.329 62.100 -0.096 0.000 0.897 407 T CB 0.054 68.919 68.868 -0.005 0.000 1.109 407 T HN 0.174 nan 8.240 nan 0.000 0.534 408 Q N 0.343 120.013 119.800 -0.217 0.000 2.256 408 Q HA 0.394 4.734 4.340 -0.000 0.000 0.232 408 Q C -0.137 175.575 176.000 -0.480 0.000 0.965 408 Q CA -0.461 55.200 55.803 -0.236 0.000 0.908 408 Q CB 0.675 29.365 28.738 -0.080 0.000 1.209 408 Q HN 0.465 nan 8.270 nan 0.000 0.489 409 H N -0.123 118.910 119.070 -0.062 0.000 2.750 409 H HA 0.244 4.800 4.556 -0.000 0.000 0.263 409 H C -0.115 175.156 175.328 -0.096 0.000 0.964 409 H CA -0.012 55.976 56.048 -0.100 0.000 1.205 409 H CB 0.835 30.501 29.762 -0.160 0.000 1.454 409 H HN 0.258 nan 8.280 nan 0.000 0.503 410 V N 2.158 122.074 119.914 0.003 0.000 2.788 410 V HA -0.144 3.976 4.120 -0.000 0.000 0.307 410 V C 1.017 177.087 176.094 -0.039 0.000 1.069 410 V CA 0.367 62.662 62.300 -0.009 0.000 1.173 410 V CB 0.436 32.274 31.823 0.025 0.000 0.925 410 V HN 0.465 nan 8.190 nan 0.000 0.492 411 N N 4.090 122.767 118.700 -0.039 0.000 2.623 411 N HA 0.031 4.771 4.740 -0.000 0.000 0.263 411 N C 0.050 175.524 175.510 -0.059 0.000 1.218 411 N CA -0.231 52.792 53.050 -0.045 0.000 0.949 411 N CB -0.378 38.087 38.487 -0.037 0.000 1.270 411 N HN 0.884 nan 8.380 nan 0.000 0.507 412 N N -0.977 117.674 118.700 -0.080 0.000 3.201 412 N HA 0.180 4.920 4.740 -0.000 0.000 0.344 412 N C -0.471 175.008 175.510 -0.050 0.000 1.465 412 N CA -0.468 52.535 53.050 -0.079 0.000 0.731 412 N CB 0.404 38.800 38.487 -0.152 0.000 1.677 412 N HN 0.022 nan 8.380 nan 0.000 0.631 413 D N -2.456 117.945 120.400 0.001 0.000 2.501 413 D HA 0.143 4.782 4.640 -0.000 0.000 0.224 413 D C -0.482 175.898 176.300 0.134 0.000 1.202 413 D CA -0.218 53.815 54.000 0.054 0.000 0.829 413 D CB -0.558 40.283 40.800 0.067 0.000 1.023 413 D HN 0.572 nan 8.370 nan 0.000 0.499 414 Y N -1.877 118.394 120.300 -0.048 0.000 2.609 414 Y HA 0.558 5.108 4.550 -0.000 0.000 0.336 414 Y C -1.765 174.096 175.900 -0.064 0.000 1.129 414 Y CA -1.388 56.677 58.100 -0.058 0.000 1.040 414 Y CB 0.950 39.353 38.460 -0.095 0.000 1.310 414 Y HN -0.178 nan 8.280 nan 0.000 0.460 415 N N 0.655 119.358 118.700 0.005 0.000 2.342 415 N HA 0.309 5.049 4.740 -0.000 0.000 0.293 415 N C 0.416 175.922 175.510 -0.006 0.000 1.026 415 N CA 0.095 53.104 53.050 -0.068 0.000 0.857 415 N CB 2.258 40.775 38.487 0.050 0.000 1.256 415 N HN 1.141 nan 8.380 nan 0.000 0.484 416 G N 1.539 110.208 108.800 -0.218 0.000 2.776 416 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.209 416 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.209 416 G C 0.049 174.454 174.900 -0.825 0.000 1.145 416 G CA 0.421 45.232 45.100 -0.482 0.000 0.791 416 G HN 0.548 nan 8.290 nan 0.000 0.530 417 F N 0.008 119.939 119.950 -0.031 0.000 2.790 417 F HA 0.346 4.873 4.527 -0.000 0.000 0.371 417 F C 0.228 176.151 175.800 0.206 0.000 1.293 417 F CA -1.636 56.207 58.000 -0.262 0.000 1.205 417 F CB 0.417 39.085 39.000 -0.552 0.000 1.047 417 F HN -0.074 nan 8.300 nan 0.000 0.510 418 E N 0.966 121.374 120.200 0.346 0.000 2.585 418 E HA 0.342 4.692 4.350 -0.000 0.000 0.252 418 E C 1.389 178.231 176.600 0.403 0.000 0.981 418 E CA 1.361 57.959 56.400 0.329 0.000 0.943 418 E CB 0.177 30.032 29.700 0.258 0.000 0.923 418 E HN 0.608 nan 8.360 nan 0.000 0.486 419 G N 3.760 112.759 108.800 0.332 0.000 2.176 419 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.253 419 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.253 419 G C 0.037 175.132 174.900 0.325 0.000 0.979 419 G CA -0.007 45.257 45.100 0.273 0.000 0.641 419 G HN 0.455 nan 8.290 nan 0.000 0.530 420 F N 2.489 122.576 119.950 0.228 0.000 2.538 420 F HA 0.387 4.914 4.527 -0.000 0.000 0.371 420 F C 1.278 177.234 175.800 0.261 0.000 1.087 420 F CA -0.111 58.047 58.000 0.264 0.000 1.250 420 F CB 0.491 39.677 39.000 0.310 0.000 1.110 420 F HN 0.199 nan 8.300 nan 0.000 0.570 421 E N 4.104 124.523 120.200 0.365 0.000 2.383 421 E HA 0.356 4.706 4.350 -0.000 0.000 0.264 421 E C -0.403 176.351 176.600 0.256 0.000 1.050 421 E CA -0.235 56.313 56.400 0.247 0.000 0.896 421 E CB 0.882 30.663 29.700 0.135 0.000 0.982 421 E HN 0.511 nan 8.360 nan 0.000 0.424 422 I N -1.554 119.120 120.570 0.173 0.000 2.689 422 I HA 0.411 4.581 4.170 -0.000 0.000 0.299 422 I C -0.544 175.648 176.117 0.126 0.000 1.059 422 I CA -0.847 60.549 61.300 0.160 0.000 1.055 422 I CB 2.076 40.221 38.000 0.241 0.000 1.243 422 I HN 0.183 nan 8.210 nan 0.000 0.425 423 D N 3.399 123.893 120.400 0.157 0.000 2.501 423 D HA 0.432 5.072 4.640 -0.000 0.000 0.224 423 D C 0.267 176.762 176.300 0.325 0.000 1.202 423 D CA 0.158 54.265 54.000 0.179 0.000 0.829 423 D CB 1.402 42.261 40.800 0.099 0.000 1.023 423 D HN 0.918 nan 8.370 nan 0.000 0.499 424 G N 0.386 109.369 108.800 0.305 0.000 2.506 424 G HA2 0.587 4.547 3.960 -0.000 0.000 0.292 424 G HA3 0.587 4.547 3.960 -0.000 0.000 0.292 424 G C -1.426 173.347 174.900 -0.212 0.000 1.425 424 G CA -0.982 44.128 45.100 0.017 0.000 0.788 424 G HN 0.122 nan 8.290 nan 0.000 0.490 425 R N -0.900 119.076 120.500 -0.874 0.000 2.692 425 R HA 0.626 4.966 4.340 -0.000 0.000 0.269 425 R C -3.328 172.417 176.300 -0.924 0.000 1.030 425 R CA -1.603 54.031 56.100 -0.778 0.000 0.882 425 R CB 1.728 31.560 30.300 -0.779 0.000 1.250 425 R HN 0.338 nan 8.270 nan 0.000 0.465 426 P HA 0.084 nan 4.420 nan 0.000 0.276 426 P C -0.311 176.889 177.300 -0.168 0.000 1.253 426 P CA -0.077 62.971 63.100 -0.086 0.000 0.766 426 P CB 1.702 33.478 31.700 0.126 0.000 0.845 427 S N 2.859 118.470 115.700 -0.149 0.000 2.387 427 S HA 0.091 4.561 4.470 -0.000 0.000 0.221 427 S C 0.542 175.104 174.600 -0.064 0.000 1.041 427 S CA 0.590 58.712 58.200 -0.130 0.000 0.959 427 S CB 0.146 63.269 63.200 -0.127 0.000 0.843 427 S HN 0.206 nan 8.310 nan 0.000 0.488 428 V N 1.617 121.517 119.914 -0.023 0.000 2.789 428 V HA 0.680 4.800 4.120 -0.000 0.000 0.311 428 V C -1.119 174.997 176.094 0.037 0.000 1.073 428 V CA -0.715 61.581 62.300 -0.008 0.000 0.921 428 V CB 1.911 33.725 31.823 -0.014 0.000 1.009 428 V HN 0.138 nan 8.190 nan 0.000 0.426 429 V N 2.738 122.672 119.914 0.033 0.000 2.760 429 V HA 0.757 4.877 4.120 -0.000 0.000 0.309 429 V C -0.140 175.982 176.094 0.046 0.000 1.077 429 V CA -0.423 61.919 62.300 0.071 0.000 0.910 429 V CB 2.443 34.325 31.823 0.100 0.000 1.008 429 V HN 1.056 nan 8.190 nan 0.000 0.424 430 T N 0.993 115.585 114.554 0.063 0.000 2.893 430 T HA 0.820 5.170 4.350 -0.000 0.000 0.291 430 T C -1.034 173.735 174.700 0.115 0.000 1.028 430 T CA -0.778 61.359 62.100 0.062 0.000 0.995 430 T CB 1.917 70.807 68.868 0.038 0.000 1.051 430 T HN 0.357 nan 8.240 nan 0.000 0.470 431 V N 3.730 123.756 119.914 0.185 0.000 2.376 431 V HA 0.545 4.665 4.120 -0.000 0.000 0.287 431 V C 0.560 176.885 176.094 0.385 0.000 1.015 431 V CA -1.019 61.447 62.300 0.277 0.000 0.834 431 V CB 0.757 32.822 31.823 0.403 0.000 1.001 431 V HN 1.057 nan 8.190 nan 0.000 0.428 432 R N 3.685 124.308 120.500 0.204 0.000 3.251 432 R HA -0.235 4.105 4.340 -0.000 0.000 0.249 432 R C 1.293 177.746 176.300 0.254 0.000 0.949 432 R CA 0.749 56.958 56.100 0.183 0.000 0.645 432 R CB -1.358 29.003 30.300 0.102 0.000 1.065 432 R HN 1.546 nan 8.270 nan 0.000 0.452 433 G N -0.448 108.431 108.800 0.133 0.000 2.179 433 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.260 433 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.260 433 G C 0.065 174.974 174.900 0.015 0.000 0.977 433 G CA 0.711 45.843 45.100 0.053 0.000 0.641 433 G HN 0.423 nan 8.290 nan 0.000 0.533 434 K N 0.749 121.170 120.400 0.034 0.000 2.235 434 K HA 0.598 4.918 4.320 -0.000 0.000 0.266 434 K C 0.366 176.901 176.600 -0.108 0.000 0.980 434 K CA -0.761 55.435 56.287 -0.151 0.000 0.849 434 K CB 1.553 33.752 32.500 -0.502 0.000 1.098 434 K HN 0.002 nan 8.250 nan 0.000 0.445 435 V N 4.298 124.131 119.914 -0.134 0.000 2.485 435 V HA 0.046 4.166 4.120 -0.000 0.000 0.287 435 V C 0.910 176.902 176.094 -0.170 0.000 1.022 435 V CA 0.547 62.779 62.300 -0.115 0.000 1.067 435 V CB 0.715 32.474 31.823 -0.108 0.000 0.967 435 V HN 1.014 nan 8.190 nan 0.000 0.479 436 A N 4.985 127.722 122.820 -0.139 0.000 2.167 436 A HA 0.496 4.816 4.320 -0.000 0.000 0.208 436 A C 0.463 177.849 177.584 -0.329 0.000 1.198 436 A CA 0.207 52.095 52.037 -0.249 0.000 0.863 436 A CB 0.590 19.550 19.000 -0.066 0.000 0.904 436 A HN 0.576 nan 8.150 nan 0.000 0.484 437 V N 0.273 120.098 119.914 -0.149 0.000 2.623 437 V HA 0.534 4.654 4.120 -0.000 0.000 0.304 437 V C -0.536 175.507 176.094 -0.084 0.000 1.054 437 V CA -0.673 61.565 62.300 -0.102 0.000 0.882 437 V CB 1.770 33.589 31.823 -0.007 0.000 1.002 437 V HN 0.445 nan 8.190 nan 0.000 0.424 438 R N 2.909 123.355 120.500 -0.089 0.000 2.574 438 R HA 0.393 4.733 4.340 -0.000 0.000 0.288 438 R C -0.769 175.496 176.300 -0.059 0.000 1.004 438 R CA -0.418 55.639 56.100 -0.072 0.000 0.895 438 R CB 1.337 31.588 30.300 -0.081 0.000 1.191 438 R HN 0.852 nan 8.270 nan 0.000 0.444 439 D N 3.219 123.586 120.400 -0.055 0.000 2.751 439 D HA -0.195 4.445 4.640 -0.000 0.000 0.233 439 D C 0.637 176.904 176.300 -0.056 0.000 1.149 439 D CA 1.801 55.771 54.000 -0.051 0.000 0.682 439 D CB -0.841 39.938 40.800 -0.035 0.000 1.068 439 D HN 1.092 nan 8.370 nan 0.000 0.429 440 G N -0.845 107.911 108.800 -0.073 0.000 2.168 440 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.263 440 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.263 440 G C 0.150 175.030 174.900 -0.033 0.000 0.977 440 G CA 0.574 45.626 45.100 -0.080 0.000 0.659 440 G HN 0.407 nan 8.290 nan 0.000 0.533 441 Q N -0.929 118.858 119.800 -0.023 0.000 2.306 441 Q HA 0.628 4.968 4.340 -0.000 0.000 0.265 441 Q C -0.629 175.373 176.000 0.003 0.000 1.022 441 Q CA -1.187 54.620 55.803 0.008 0.000 0.853 441 Q CB 1.647 30.387 28.738 0.002 0.000 1.327 441 Q HN 0.225 nan 8.270 nan 0.000 0.449 442 F N 2.388 122.258 119.950 -0.134 0.000 2.445 442 F HA 0.196 4.722 4.527 -0.000 0.000 0.359 442 F C 0.643 176.358 175.800 -0.142 0.000 1.101 442 F CA -0.356 57.534 58.000 -0.183 0.000 1.177 442 F CB 0.504 39.346 39.000 -0.262 0.000 1.110 442 F HN 0.267 nan 8.300 nan 0.000 0.522 443 V N 3.911 123.316 119.914 -0.849 0.000 3.017 443 V HA 0.507 4.627 4.120 -0.000 0.000 0.354 443 V C 0.714 176.349 176.094 -0.765 0.000 1.389 443 V CA 0.018 61.957 62.300 -0.603 0.000 1.163 443 V CB -0.382 31.251 31.823 -0.316 0.000 1.178 443 V HN 0.835 nan 8.190 nan 0.000 0.547 444 G N 0.645 108.544 108.800 -1.502 0.000 2.636 444 G HA2 0.379 4.339 3.960 -0.000 0.000 0.246 444 G HA3 0.379 4.339 3.960 -0.000 0.000 0.246 444 G C -0.434 174.408 174.900 -0.096 0.000 1.216 444 G CA -0.141 44.502 45.100 -0.762 0.000 0.854 444 G HN 0.656 nan 8.290 nan 0.000 0.572 445 E N 0.179 120.496 120.200 0.195 0.000 2.145 445 E HA 0.241 4.591 4.350 -0.000 0.000 0.270 445 E C -0.162 176.648 176.600 0.350 0.000 0.906 445 E CA -0.695 55.832 56.400 0.211 0.000 0.761 445 E CB 0.698 30.389 29.700 -0.016 0.000 1.116 445 E HN 0.299 nan 8.360 nan 0.000 0.408 446 K N 2.446 122.975 120.400 0.216 0.000 2.491 446 K HA 0.043 4.363 4.320 -0.000 0.000 0.279 446 K C 0.768 177.363 176.600 -0.009 0.000 1.026 446 K CA 1.214 57.446 56.287 -0.092 0.000 1.070 446 K CB 0.326 32.798 32.500 -0.047 0.000 0.887 446 K HN 0.906 nan 8.250 nan 0.000 0.481 447 G N 3.210 111.958 108.800 -0.085 0.000 2.168 447 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.263 447 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.263 447 G C 0.590 175.588 174.900 0.163 0.000 0.977 447 G CA 0.397 45.514 45.100 0.030 0.000 0.659 447 G HN 0.966 nan 8.290 nan 0.000 0.533 448 W N 1.284 122.601 121.300 0.028 0.000 2.402 448 W HA 0.119 4.779 4.660 -0.000 0.000 0.286 448 W C 1.337 177.898 176.519 0.070 0.000 1.221 448 W CA 0.783 58.162 57.345 0.057 0.000 1.257 448 W CB -0.173 29.338 29.460 0.085 0.000 1.120 448 W HN 0.463 nan 8.180 nan 0.000 0.551 449 G N 2.370 111.215 108.800 0.075 0.000 2.544 449 G HA2 0.207 4.167 3.960 -0.000 0.000 0.242 449 G HA3 0.207 4.167 3.960 -0.000 0.000 0.242 449 G C -0.744 174.132 174.900 -0.039 0.000 1.247 449 G CA -0.134 44.959 45.100 -0.012 0.000 0.840 449 G HN -0.083 nan 8.290 nan 0.000 0.578 450 K N 0.075 120.378 120.400 -0.161 0.000 2.435 450 K HA 0.333 4.653 4.320 -0.000 0.000 0.251 450 K C -0.839 175.375 176.600 -0.643 0.000 0.954 450 K CA -1.173 54.958 56.287 -0.261 0.000 0.820 450 K CB 2.489 34.805 32.500 -0.306 0.000 1.292 450 K HN 0.362 nan 8.250 nan 0.000 0.436 451 L N 2.390 123.154 121.223 -0.765 0.000 2.455 451 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 451 L C -0.771 175.770 176.870 -0.549 0.000 1.174 451 L CA 0.330 54.575 54.840 -0.991 0.000 0.869 451 L CB -0.078 41.689 42.059 -0.486 0.000 1.130 451 L HN 0.432 nan 8.230 nan 0.000 0.474 452 L N 6.665 127.576 121.223 -0.521 0.000 2.264 452 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 452 L C 0.321 177.073 176.870 -0.197 0.000 1.044 452 L CA -0.389 54.268 54.840 -0.306 0.000 0.807 452 L CB 0.619 42.508 42.059 -0.283 0.000 1.192 452 L HN 0.622 nan 8.230 nan 0.000 0.425 453 R N 3.242 123.666 120.500 -0.126 0.000 2.428 453 R HA 0.680 5.020 4.340 -0.000 0.000 0.294 453 R C -0.753 175.516 176.300 -0.052 0.000 1.000 453 R CA -0.874 55.191 56.100 -0.059 0.000 0.960 453 R CB 1.701 31.982 30.300 -0.032 0.000 1.076 453 R HN 0.531 nan 8.270 nan 0.000 0.475 454 R N 0.630 121.113 120.500 -0.028 0.000 2.854 454 R HA 0.305 4.645 4.340 -0.000 0.000 0.271 454 R C -0.835 175.456 176.300 -0.016 0.000 0.994 454 R CA -0.894 55.191 56.100 -0.024 0.000 0.945 454 R CB 1.638 31.931 30.300 -0.012 0.000 1.194 454 R HN 0.394 nan 8.270 nan 0.000 0.476 455 E N 2.142 122.331 120.200 -0.019 0.000 2.156 455 E HA 0.292 4.642 4.350 -0.000 0.000 0.279 455 E C -2.221 174.356 176.600 -0.038 0.000 0.965 455 E CA -1.954 54.441 56.400 -0.009 0.000 0.789 455 E CB 1.486 31.186 29.700 0.001 0.000 1.098 455 E HN 0.291 nan 8.360 nan 0.000 0.397 456 P HA 0.091 nan 4.420 nan 0.000 0.269 456 P C 0.140 177.317 177.300 -0.204 0.000 1.209 456 P CA 0.334 63.336 63.100 -0.164 0.000 0.776 456 P CB 0.564 32.129 31.700 -0.225 0.000 0.876 457 M N -0.060 119.297 119.600 -0.405 0.000 2.296 457 M HA 0.165 4.645 4.480 -0.000 0.000 0.291 457 M C -0.299 175.666 176.300 -0.559 0.000 1.013 457 M CA 0.409 55.429 55.300 -0.466 0.000 1.089 457 M CB 0.579 32.683 32.600 -0.826 0.000 1.677 457 M HN 0.217 nan 8.290 nan 0.000 0.584 458 Y N 0.620 120.677 120.300 -0.406 0.000 2.836 458 Y HA 0.453 5.003 4.550 -0.000 0.000 0.359 458 Y C -0.309 175.383 175.900 -0.346 0.000 1.060 458 Y CA -0.987 56.958 58.100 -0.259 0.000 1.161 458 Y CB 0.060 38.408 38.460 -0.187 0.000 1.225 458 Y HN -0.063 nan 8.280 nan 0.000 0.621 459 F N 0.000 119.996 119.950 0.077 0.000 2.286 459 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 459 F CA 0.000 58.024 58.000 0.041 0.000 1.383 459 F CB 0.000 39.006 39.000 0.010 0.000 1.145 459 F HN 0.000 nan 8.300 nan 0.000 0.574