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 2vvl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVP SLGVISPPTN IXXXXXXXXW DVIVIGGGYC DATA SEQUENCE GLTATRDLTV AGFKTLLLEA RDRIGGRSWS SNIDGYPYEM GGTWVHWHQS DATA SEQUENCE HVWREITRYK MHNALSPSFN FSRGVNHFQL RTNPTTSTYM THEAEDELLR DATA SEQUENCE SALHKFTNVD GTNGRTVLPF PHDMFYVPEF RKYDEMSYSE RIDQIRDELS DATA SEQUENCE LNERSSLEAF ILLCSGGTLE NSSFGEFLHW WAMSGYTYQG CMDCLMSYKF DATA SEQUENCE KDGQSAFARR FWEEAAGTGR LGYVFGCPVR SVVNERDAAR VTARDGREFV DATA SEQUENCE AKRVVCTIPL NVLSTIQFSP ALSTERISAM QAGHVSMCTK VHAEVDNKDM DATA SEQUENCE RSWTGIAYPF NKLCYAIGDG TTPAGNTHLV CFGTDANHIQ PDEDVRETLK DATA SEQUENCE AVGQLAPGTF GVKRLVFHNW VKDEFAKGAW FFSRPGMVSE CLQGLREKHG DATA SEQUENCE GVVFANSDWA LGWRSFIDGA IEEGTRAARV VLEELG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.064 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.093 0.000 1.302 2 T N 0.599 115.122 114.554 -0.052 0.000 2.767 2 T HA 0.518 4.868 4.350 -0.000 0.000 0.288 2 T C -0.121 174.541 174.700 -0.064 0.000 0.963 2 T CA -0.019 62.058 62.100 -0.039 0.000 1.019 2 T CB 0.947 69.797 68.868 -0.030 0.000 0.923 2 T HN 0.660 nan 8.240 nan 0.000 0.468 3 S N 2.897 118.563 115.700 -0.056 0.000 2.652 3 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 3 S C 1.432 175.971 174.600 -0.102 0.000 1.243 3 S CA -0.894 57.231 58.200 -0.125 0.000 0.999 3 S CB 0.609 63.680 63.200 -0.215 0.000 0.973 3 S HN 0.729 nan 8.310 nan 0.000 0.544 4 R N 1.268 121.692 120.500 -0.127 0.000 2.235 4 R HA 0.143 4.483 4.340 -0.000 0.000 0.213 4 R C -0.288 175.953 176.300 -0.098 0.000 1.059 4 R CA 0.470 56.510 56.100 -0.099 0.000 0.997 4 R CB -0.831 29.426 30.300 -0.072 0.000 0.884 4 R HN 0.589 nan 8.270 nan 0.000 0.462 5 D N 0.049 120.383 120.400 -0.109 0.000 2.313 5 D HA 0.410 5.050 4.640 -0.000 0.000 0.247 5 D C 0.696 177.156 176.300 0.267 0.000 1.094 5 D CA 0.769 54.777 54.000 0.014 0.000 0.925 5 D CB 0.874 41.411 40.800 -0.438 0.000 1.188 5 D HN 0.238 nan 8.370 nan 0.000 0.430 6 G N -0.098 109.021 108.800 0.531 0.000 2.758 6 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.686 6 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.686 6 G C -1.546 173.265 174.900 -0.148 0.000 1.389 6 G CA -0.776 44.518 45.100 0.323 0.000 0.845 6 G HN 0.355 nan 8.290 nan 0.000 0.572 7 Y N -0.251 119.928 120.300 -0.202 0.000 2.534 7 Y HA 0.728 5.277 4.550 -0.000 0.000 0.345 7 Y C 0.261 175.876 175.900 -0.475 0.000 1.031 7 Y CA -0.636 57.217 58.100 -0.412 0.000 1.022 7 Y CB 2.544 40.502 38.460 -0.837 0.000 1.292 7 Y HN 0.843 nan 8.280 nan 0.000 0.459 8 Q N 1.773 121.492 119.800 -0.135 0.000 2.389 8 Q HA 0.456 4.796 4.340 -0.000 0.000 0.277 8 Q C -2.202 173.835 176.000 0.062 0.000 1.082 8 Q CA -0.837 54.903 55.803 -0.106 0.000 0.810 8 Q CB 2.672 31.347 28.738 -0.105 0.000 1.374 8 Q HN 0.766 nan 8.270 nan 0.000 0.422 9 W N 2.922 124.175 121.300 -0.078 0.000 2.998 9 W HA 0.606 5.266 4.660 -0.000 0.000 0.335 9 W C -1.486 175.033 176.519 -0.001 0.000 1.110 9 W CA -0.309 57.035 57.345 -0.002 0.000 1.230 9 W CB 1.884 31.385 29.460 0.069 0.000 1.405 9 W HN 0.667 nan 8.180 nan 0.000 0.493 10 T N 2.778 116.764 114.554 -0.947 0.000 2.896 10 T HA 0.487 4.837 4.350 -0.000 0.000 0.297 10 T C -2.238 171.423 174.700 -1.732 0.000 1.108 10 T CA -1.842 59.571 62.100 -1.144 0.000 1.004 10 T CB 2.344 70.915 68.868 -0.494 0.000 1.159 10 T HN 0.262 nan 8.240 nan 0.000 0.499 11 P HA -0.119 nan 4.420 nan 0.000 0.216 11 P C 0.992 178.067 177.300 -0.374 0.000 1.153 11 P CA 1.388 64.083 63.100 -0.674 0.000 0.858 11 P CB 0.156 31.710 31.700 -0.243 0.000 0.789 12 E N -0.492 119.520 120.200 -0.314 0.000 2.153 12 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 12 E C 1.966 178.461 176.600 -0.176 0.000 0.988 12 E CA 2.089 58.377 56.400 -0.188 0.000 0.811 12 E CB -1.013 28.599 29.700 -0.147 0.000 0.746 12 E HN 0.454 nan 8.360 nan 0.000 0.466 13 T N -3.824 110.578 114.554 -0.254 0.000 2.990 13 T HA 0.427 4.776 4.350 -0.000 0.000 0.250 13 T C 1.190 175.809 174.700 -0.135 0.000 1.041 13 T CA 0.115 62.111 62.100 -0.173 0.000 1.010 13 T CB 0.172 68.938 68.868 -0.170 0.000 1.003 13 T HN 0.280 nan 8.240 nan 0.000 0.499 14 G N 1.732 110.402 108.800 -0.216 0.000 2.645 14 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.246 14 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.246 14 G C -0.586 174.373 174.900 0.098 0.000 1.322 14 G CA -0.310 44.793 45.100 0.006 0.000 0.898 14 G HN 0.810 nan 8.290 nan 0.000 0.573 15 L N 1.717 123.140 121.223 0.334 0.000 2.315 15 L HA 0.611 4.951 4.340 -0.000 0.000 0.283 15 L C 1.302 178.279 176.870 0.178 0.000 1.089 15 L CA 0.833 55.869 54.840 0.326 0.000 0.833 15 L CB 0.421 42.689 42.059 0.348 0.000 1.170 15 L HN 1.240 nan 8.230 nan 0.000 0.442 16 T N 1.926 116.548 114.554 0.114 0.000 2.918 16 T HA 0.502 4.852 4.350 -0.000 0.000 0.286 16 T C -0.429 174.267 174.700 -0.006 0.000 1.026 16 T CA -0.781 61.343 62.100 0.041 0.000 1.031 16 T CB 1.477 70.338 68.868 -0.012 0.000 1.046 16 T HN 0.673 nan 8.240 nan 0.000 0.479 17 Q N 0.752 120.497 119.800 -0.092 0.000 2.282 17 Q HA 0.556 4.896 4.340 -0.000 0.000 0.260 17 Q C -0.029 175.845 176.000 -0.210 0.000 0.964 17 Q CA -0.053 55.572 55.803 -0.297 0.000 0.880 17 Q CB 0.885 29.419 28.738 -0.339 0.000 1.286 17 Q HN 1.477 nan 8.270 nan 0.000 0.445 18 G N 1.053 109.720 108.800 -0.222 0.000 3.338 18 G HA2 0.030 3.990 3.960 -0.000 0.000 0.686 18 G HA3 0.030 3.990 3.960 -0.000 0.000 0.686 18 G C -1.010 173.861 174.900 -0.048 0.000 1.053 18 G CA -0.388 44.649 45.100 -0.105 0.000 0.852 18 G HN 1.135 nan 8.290 nan 0.000 0.545 19 V N 0.392 120.323 119.914 0.028 0.000 3.040 19 V HA 0.994 5.114 4.120 -0.000 0.000 0.312 19 V C -2.471 173.677 176.094 0.089 0.000 1.115 19 V CA -2.650 59.676 62.300 0.043 0.000 0.998 19 V CB 2.254 34.095 31.823 0.031 0.000 1.042 19 V HN 0.672 nan 8.190 nan 0.000 0.433 20 P HA 0.476 nan 4.420 nan 0.000 0.272 20 P C -0.597 176.775 177.300 0.119 0.000 1.230 20 P CA 0.089 63.221 63.100 0.053 0.000 0.788 20 P CB 0.939 32.651 31.700 0.020 0.000 0.949 21 S N 0.325 116.078 115.700 0.089 0.000 2.560 21 S HA 0.234 4.704 4.470 -0.000 0.000 0.283 21 S C 0.510 175.115 174.600 0.008 0.000 1.141 21 S CA -0.579 57.695 58.200 0.123 0.000 0.902 21 S CB 0.223 63.623 63.200 0.333 0.000 1.104 21 S HN 0.231 nan 8.310 nan 0.000 0.454 22 L N 3.573 124.791 121.223 -0.008 0.000 2.362 22 L HA 0.128 4.468 4.340 -0.000 0.000 0.219 22 L C 2.524 179.315 176.870 -0.131 0.000 1.134 22 L CA 1.328 56.128 54.840 -0.067 0.000 0.807 22 L CB -0.418 41.608 42.059 -0.054 0.000 0.927 22 L HN 0.872 nan 8.230 nan 0.000 0.447 23 G N -0.371 108.366 108.800 -0.104 0.000 2.471 23 G HA2 -0.084 3.875 3.960 -0.000 0.000 0.219 23 G HA3 -0.084 3.875 3.960 -0.000 0.000 0.219 23 G C 0.772 175.430 174.900 -0.404 0.000 1.125 23 G CA -0.095 44.870 45.100 -0.224 0.000 0.775 23 G HN 0.125 nan 8.290 nan 0.000 0.548 24 V N 1.414 121.125 119.914 -0.339 0.000 2.485 24 V HA 0.211 4.331 4.120 -0.000 0.000 0.287 24 V C 0.050 175.839 176.094 -0.509 0.000 1.022 24 V CA 0.180 62.227 62.300 -0.422 0.000 1.067 24 V CB 0.918 32.575 31.823 -0.276 0.000 0.967 24 V HN 0.124 nan 8.190 nan 0.000 0.479 25 I N 4.523 124.640 120.570 -0.756 0.000 2.404 25 I HA 0.495 4.665 4.170 -0.000 0.000 0.293 25 I C 0.625 176.463 176.117 -0.465 0.000 0.992 25 I CA 0.736 61.578 61.300 -0.764 0.000 1.149 25 I CB 1.928 39.104 38.000 -1.373 0.000 1.315 25 I HN 0.697 nan 8.210 nan 0.000 0.446 26 S N 3.649 119.232 115.700 -0.196 0.000 4.997 26 S HA 0.251 4.721 4.470 -0.000 0.000 0.169 26 S C -2.476 172.110 174.600 -0.023 0.000 1.122 26 S CA 0.111 58.225 58.200 -0.143 0.000 1.305 26 S CB 0.069 63.186 63.200 -0.138 0.000 1.806 26 S HN 0.527 nan 8.310 nan 0.000 0.547 27 P HA 0.469 nan 4.420 nan 0.000 0.301 27 P C -2.486 174.965 177.300 0.252 0.000 1.338 27 P CA -1.379 61.800 63.100 0.132 0.000 0.834 27 P CB 1.546 33.340 31.700 0.156 0.000 0.967 28 P HA -0.010 nan 4.420 nan 0.000 0.233 28 P C 0.252 177.808 177.300 0.426 0.000 1.167 28 P CA 0.970 64.236 63.100 0.276 0.000 0.770 28 P CB 0.652 32.434 31.700 0.137 0.000 0.837 29 T N 0.224 114.894 114.554 0.193 0.000 2.853 29 T HA 0.382 4.731 4.350 -0.000 0.000 0.311 29 T C -0.553 173.933 174.700 -0.356 0.000 1.307 29 T CA -0.616 61.392 62.100 -0.153 0.000 1.019 29 T CB 0.918 69.753 68.868 -0.055 0.000 1.264 29 T HN -0.035 nan 8.240 nan 0.000 0.497 30 N N 2.656 120.984 118.700 -0.620 0.000 2.240 30 N HA 0.238 4.978 4.740 -0.000 0.000 0.240 30 N C -0.037 175.387 175.510 -0.143 0.000 1.277 30 N CA -0.299 52.555 53.050 -0.327 0.000 0.873 30 N CB 0.061 38.340 38.487 -0.347 0.000 1.222 30 N HN 0.513 nan 8.380 nan 0.000 0.507 41 D N 0.576 121.160 120.400 0.307 0.000 2.117 41 D HA -0.003 4.636 4.640 -0.000 0.000 0.198 41 D C 0.329 176.723 176.300 0.156 0.000 0.982 41 D CA 1.602 55.747 54.000 0.242 0.000 0.828 41 D CB 0.406 41.439 40.800 0.388 0.000 0.967 41 D HN -0.002 nan 8.370 nan 0.000 0.464 42 V N 0.855 120.868 119.914 0.164 0.000 2.888 42 V HA 0.365 4.485 4.120 -0.000 0.000 0.309 42 V C -0.293 175.810 176.094 0.016 0.000 1.114 42 V CA -0.800 61.522 62.300 0.036 0.000 0.940 42 V CB 2.801 34.582 31.823 -0.070 0.000 1.021 42 V HN -0.129 nan 8.190 nan 0.000 0.426 43 I N 3.201 123.746 120.570 -0.042 0.000 2.412 43 I HA 0.558 4.727 4.170 -0.000 0.000 0.296 43 I C -0.685 175.355 176.117 -0.130 0.000 0.987 43 I CA -0.873 60.343 61.300 -0.139 0.000 1.180 43 I CB 2.071 39.987 38.000 -0.140 0.000 1.340 43 I HN 0.298 nan 8.210 nan 0.000 0.455 44 V N 7.233 127.048 119.914 -0.165 0.000 2.384 44 V HA 0.405 4.524 4.120 -0.000 0.000 0.287 44 V C 0.044 176.042 176.094 -0.159 0.000 1.020 44 V CA -0.502 61.720 62.300 -0.131 0.000 0.850 44 V CB 1.580 33.340 31.823 -0.105 0.000 0.987 44 V HN 0.452 nan 8.190 nan 0.000 0.436 45 I N 4.816 125.315 120.570 -0.118 0.000 2.297 45 I HA 0.687 4.857 4.170 -0.000 0.000 0.291 45 I C 0.794 176.855 176.117 -0.092 0.000 1.033 45 I CA 0.053 61.282 61.300 -0.118 0.000 1.253 45 I CB 0.981 38.945 38.000 -0.060 0.000 1.396 45 I HN 0.868 nan 8.210 nan 0.000 0.476 46 G N 3.786 112.502 108.800 -0.141 0.000 3.067 46 G HA2 0.029 3.989 3.960 -0.000 0.000 0.686 46 G HA3 0.029 3.989 3.960 -0.000 0.000 0.686 46 G C -0.106 174.721 174.900 -0.121 0.000 1.119 46 G CA -0.491 44.537 45.100 -0.120 0.000 0.790 46 G HN 1.004 nan 8.290 nan 0.000 0.605 47 G N 0.769 109.494 108.800 -0.126 0.000 4.644 47 G HA2 0.714 4.673 3.960 -0.000 0.000 0.307 47 G HA3 0.714 4.673 3.960 -0.000 0.000 0.307 47 G C 0.792 175.594 174.900 -0.163 0.000 1.331 47 G CA 0.927 45.962 45.100 -0.109 0.000 1.059 47 G HN 1.324 nan 8.290 nan 0.000 0.590 48 G N -0.502 108.202 108.800 -0.160 0.000 2.510 48 G HA2 0.331 4.291 3.960 -0.000 0.000 0.280 48 G HA3 0.331 4.291 3.960 -0.000 0.000 0.280 48 G C 0.565 175.292 174.900 -0.289 0.000 1.386 48 G CA -0.514 44.444 45.100 -0.236 0.000 1.047 48 G HN 0.153 nan 8.290 nan 0.000 0.527 49 Y N -1.277 118.929 120.300 -0.158 0.000 2.352 49 Y HA -0.056 4.494 4.550 -0.000 0.000 0.292 49 Y C 2.858 178.595 175.900 -0.272 0.000 1.136 49 Y CA 0.786 58.703 58.100 -0.304 0.000 1.227 49 Y CB -0.547 37.787 38.460 -0.210 0.000 0.991 49 Y HN 0.400 nan 8.280 nan 0.000 0.545 50 C N -0.240 119.043 119.300 -0.028 0.000 2.453 50 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 50 C C 3.014 177.966 174.990 -0.063 0.000 1.262 50 C CA 1.586 60.573 59.018 -0.051 0.000 1.718 50 C CB -1.347 26.350 27.740 -0.072 0.000 2.031 50 C HN 0.663 nan 8.230 nan 0.000 0.480 51 G N 0.208 108.961 108.800 -0.077 0.000 2.408 51 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.217 51 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.217 51 G C 1.625 176.490 174.900 -0.060 0.000 1.150 51 G CA 0.878 45.937 45.100 -0.067 0.000 0.776 51 G HN 0.576 nan 8.290 nan 0.000 0.542 52 L N 0.560 121.712 121.223 -0.118 0.000 2.017 52 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 52 L C 3.206 180.057 176.870 -0.031 0.000 1.073 52 L CA 1.648 56.425 54.840 -0.105 0.000 0.745 52 L CB -0.814 41.043 42.059 -0.337 0.000 0.894 52 L HN 0.174 nan 8.230 nan 0.000 0.432 53 T N -0.155 114.336 114.554 -0.105 0.000 2.737 53 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 53 T C 2.041 176.804 174.700 0.105 0.000 1.038 53 T CA 1.252 63.409 62.100 0.095 0.000 1.144 53 T CB -0.319 68.596 68.868 0.079 0.000 0.866 53 T HN 0.428 nan 8.240 nan 0.000 0.434 54 A N 1.421 124.265 122.820 0.041 0.000 1.908 54 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 54 A C 2.567 180.174 177.584 0.037 0.000 1.181 54 A CA 2.185 54.240 52.037 0.031 0.000 0.627 54 A CB -1.317 17.681 19.000 -0.003 0.000 0.818 54 A HN 0.473 nan 8.150 nan 0.000 0.445 55 T N -0.910 113.663 114.554 0.033 0.000 2.737 55 T HA -0.111 4.239 4.350 -0.000 0.000 0.265 55 T C 2.159 176.896 174.700 0.062 0.000 1.038 55 T CA 1.186 63.303 62.100 0.028 0.000 1.144 55 T CB -0.255 68.617 68.868 0.007 0.000 0.866 55 T HN 0.396 nan 8.240 nan 0.000 0.434 56 R N 1.244 121.813 120.500 0.115 0.000 2.094 56 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 56 R C 1.860 178.236 176.300 0.126 0.000 1.137 56 R CA 1.945 58.134 56.100 0.148 0.000 0.943 56 R CB -0.788 29.689 30.300 0.294 0.000 0.850 56 R HN 0.317 nan 8.270 nan 0.000 0.433 57 D N 0.425 120.904 120.400 0.131 0.000 2.117 57 D HA -0.131 4.509 4.640 -0.000 0.000 0.197 57 D C 2.078 178.455 176.300 0.129 0.000 0.987 57 D CA 1.050 55.120 54.000 0.116 0.000 0.829 57 D CB -0.210 40.655 40.800 0.108 0.000 0.961 57 D HN 0.218 nan 8.370 nan 0.000 0.460 58 L N 0.447 121.744 121.223 0.123 0.000 2.056 58 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 58 L C 2.642 179.666 176.870 0.256 0.000 1.078 58 L CA 1.560 56.513 54.840 0.189 0.000 0.749 58 L CB -0.761 41.338 42.059 0.066 0.000 0.901 58 L HN 0.160 nan 8.230 nan 0.000 0.433 59 T N -3.252 111.394 114.554 0.154 0.000 2.777 59 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 59 T C 1.827 176.582 174.700 0.092 0.000 1.040 59 T CA 1.192 63.366 62.100 0.122 0.000 1.141 59 T CB -0.838 68.065 68.868 0.059 0.000 0.868 59 T HN 0.068 nan 8.240 nan 0.000 0.444 60 V N 2.245 122.208 119.914 0.082 0.000 2.392 60 V HA -0.062 4.057 4.120 -0.000 0.000 0.249 60 V C 3.048 179.175 176.094 0.055 0.000 1.059 60 V CA 1.653 63.988 62.300 0.058 0.000 1.051 60 V CB -1.250 30.607 31.823 0.056 0.000 0.658 60 V HN 0.724 nan 8.190 nan 0.000 0.455 61 A N -0.973 121.906 122.820 0.097 0.000 2.238 61 A HA 0.430 4.750 4.320 -0.000 0.000 0.208 61 A C 1.816 179.371 177.584 -0.048 0.000 1.177 61 A CA 0.993 53.075 52.037 0.075 0.000 0.804 61 A CB -0.331 18.779 19.000 0.183 0.000 0.823 61 A HN 1.169 nan 8.150 nan 0.000 0.482 62 G N -2.218 106.556 108.800 -0.043 0.000 2.163 62 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.213 62 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.213 62 G C -0.136 174.624 174.900 -0.234 0.000 0.991 62 G CA -0.176 44.822 45.100 -0.170 0.000 0.653 62 G HN 0.276 nan 8.290 nan 0.000 0.518 63 F N 1.713 121.686 119.950 0.039 0.000 2.404 63 F HA 0.571 5.098 4.527 -0.000 0.000 0.339 63 F C 0.940 176.790 175.800 0.083 0.000 1.105 63 F CA -0.873 57.161 58.000 0.056 0.000 1.087 63 F CB 1.108 40.143 39.000 0.059 0.000 1.143 63 F HN -0.262 nan 8.300 nan 0.000 0.491 64 K N 2.443 123.022 120.400 0.299 0.000 2.379 64 K HA 0.301 4.621 4.320 -0.000 0.000 0.284 64 K C -0.504 176.355 176.600 0.432 0.000 1.044 64 K CA 0.037 56.517 56.287 0.322 0.000 0.974 64 K CB 0.608 33.239 32.500 0.218 0.000 0.962 64 K HN 0.600 nan 8.250 nan 0.000 0.474 65 T N 2.987 117.764 114.554 0.373 0.000 2.928 65 T HA 0.317 4.667 4.350 -0.000 0.000 0.296 65 T C -0.892 173.737 174.700 -0.118 0.000 1.000 65 T CA -0.710 61.482 62.100 0.153 0.000 0.989 65 T CB 1.302 70.213 68.868 0.071 0.000 1.005 65 T HN 0.312 nan 8.240 nan 0.000 0.442 66 L N 4.109 125.080 121.223 -0.420 0.000 2.280 66 L HA 0.696 5.036 4.340 -0.000 0.000 0.287 66 L C -1.044 175.532 176.870 -0.489 0.000 1.023 66 L CA -0.801 53.550 54.840 -0.815 0.000 0.819 66 L CB 0.966 42.100 42.059 -1.543 0.000 1.212 66 L HN 0.667 nan 8.230 nan 0.000 0.420 67 L N 6.016 127.019 121.223 -0.366 0.000 2.264 67 L HA 0.531 4.870 4.340 -0.000 0.000 0.289 67 L C -1.213 175.403 176.870 -0.423 0.000 1.044 67 L CA -0.114 54.548 54.840 -0.296 0.000 0.807 67 L CB 0.727 42.710 42.059 -0.127 0.000 1.192 67 L HN 0.606 nan 8.230 nan 0.000 0.425 68 L N 4.876 125.836 121.223 -0.437 0.000 2.287 68 L HA 0.585 4.925 4.340 -0.000 0.000 0.287 68 L C -0.636 175.982 176.870 -0.421 0.000 1.022 68 L CA -0.533 54.018 54.840 -0.482 0.000 0.814 68 L CB 1.670 43.449 42.059 -0.466 0.000 1.217 68 L HN 0.550 nan 8.230 nan 0.000 0.420 69 E N 1.951 121.847 120.200 -0.506 0.000 2.272 69 E HA 0.556 4.905 4.350 -0.000 0.000 0.269 69 E C -0.071 176.327 176.600 -0.337 0.000 0.877 69 E CA -0.329 55.822 56.400 -0.414 0.000 0.755 69 E CB 2.153 31.566 29.700 -0.480 0.000 1.192 69 E HN 0.525 nan 8.360 nan 0.000 0.422 70 A N 4.751 127.318 122.820 -0.422 0.000 1.929 70 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 70 A C 0.917 178.188 177.584 -0.522 0.000 1.176 70 A CA 0.799 52.443 52.037 -0.655 0.000 0.628 70 A CB -0.199 17.929 19.000 -1.453 0.000 0.816 70 A HN 0.582 nan 8.150 nan 0.000 0.444 71 R N 0.075 120.351 120.500 -0.373 0.000 2.574 71 R HA 0.278 4.618 4.340 -0.000 0.000 0.266 71 R C -0.072 176.189 176.300 -0.066 0.000 1.157 71 R CA 0.154 56.140 56.100 -0.190 0.000 1.187 71 R CB 0.000 30.183 30.300 -0.196 0.000 1.179 71 R HN 0.405 nan 8.270 nan 0.000 0.600 72 D N -0.460 119.852 120.400 -0.146 0.000 2.325 72 D HA 0.005 4.645 4.640 -0.000 0.000 0.225 72 D C 0.022 176.053 176.300 -0.448 0.000 1.096 72 D CA -0.093 53.787 54.000 -0.199 0.000 0.844 72 D CB 0.048 40.738 40.800 -0.183 0.000 0.925 72 D HN 0.449 nan 8.370 nan 0.000 0.513 73 R N -0.373 119.864 120.500 -0.437 0.000 2.734 73 R HA 0.563 4.903 4.340 -0.000 0.000 0.271 73 R C -0.329 175.729 176.300 -0.402 0.000 1.021 73 R CA -1.136 54.619 56.100 -0.575 0.000 0.893 73 R CB 0.915 30.906 30.300 -0.515 0.000 1.244 73 R HN 0.050 nan 8.270 nan 0.000 0.464 74 I N -1.856 118.442 120.570 -0.454 0.000 3.078 74 I HA 0.746 4.916 4.170 -0.000 0.000 0.318 74 I C 0.728 176.673 176.117 -0.286 0.000 1.016 74 I CA 0.103 61.221 61.300 -0.303 0.000 1.130 74 I CB 1.387 39.158 38.000 -0.381 0.000 1.397 74 I HN 0.953 nan 8.210 nan 0.000 0.570 75 G N 0.549 109.159 108.800 -0.318 0.000 2.254 75 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.225 75 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.225 75 G C 1.002 175.799 174.900 -0.171 0.000 1.003 75 G CA 0.233 45.124 45.100 -0.348 0.000 0.622 75 G HN 2.014 nan 8.290 nan 0.000 0.507 76 G N 0.467 109.206 108.800 -0.103 0.000 2.672 76 G HA2 -0.435 3.524 3.960 -0.000 0.000 0.332 76 G HA3 -0.435 3.524 3.960 -0.000 0.000 0.332 76 G C 0.961 175.989 174.900 0.213 0.000 1.213 76 G CA 1.565 46.685 45.100 0.032 0.000 0.980 76 G HN 1.167 nan 8.290 nan 0.000 0.548 77 R N 0.889 121.467 120.500 0.130 0.000 2.313 77 R HA 0.383 4.723 4.340 -0.000 0.000 0.199 77 R C 0.775 177.112 176.300 0.061 0.000 0.958 77 R CA 0.782 56.823 56.100 -0.099 0.000 1.047 77 R CB 0.017 30.186 30.300 -0.218 0.000 0.955 77 R HN 0.302 nan 8.270 nan 0.000 0.481 78 S N 0.771 116.654 115.700 0.304 0.000 2.594 78 S HA 0.581 5.050 4.470 -0.000 0.000 0.296 78 S C -1.738 173.170 174.600 0.514 0.000 1.124 78 S CA -0.789 57.652 58.200 0.402 0.000 1.011 78 S CB 0.815 64.305 63.200 0.484 0.000 1.016 78 S HN 0.373 nan 8.310 nan 0.000 0.485 79 W N 2.179 123.591 121.300 0.187 0.000 3.338 79 W HA 0.506 5.166 4.660 -0.001 0.000 0.299 79 W C -1.882 174.703 176.519 0.110 0.000 1.226 79 W CA -0.704 56.703 57.345 0.103 0.000 1.183 79 W CB 0.071 29.554 29.460 0.039 0.000 1.360 79 W HN 0.770 nan 8.180 nan 0.000 0.569 80 S N 0.804 116.538 115.700 0.056 0.000 2.542 80 S HA 0.727 5.196 4.470 -0.000 0.000 0.293 80 S C -1.315 173.222 174.600 -0.106 0.000 1.089 80 S CA -0.678 57.431 58.200 -0.151 0.000 0.961 80 S CB 2.213 65.363 63.200 -0.083 0.000 1.062 80 S HN 0.835 nan 8.310 nan 0.000 0.483 81 S N 1.757 117.350 115.700 -0.179 0.000 2.596 81 S HA 0.447 4.916 4.470 -0.000 0.000 0.318 81 S C -1.196 173.411 174.600 0.012 0.000 1.097 81 S CA -0.783 57.380 58.200 -0.062 0.000 1.080 81 S CB -0.111 63.016 63.200 -0.122 0.000 0.991 81 S HN 0.675 nan 8.310 nan 0.000 0.471 82 N N 4.631 123.337 118.700 0.010 0.000 2.401 82 N HA 0.347 5.087 4.740 -0.000 0.000 0.255 82 N C -0.890 174.667 175.510 0.078 0.000 1.110 82 N CA 0.150 53.212 53.050 0.020 0.000 0.949 82 N CB 0.403 38.880 38.487 -0.016 0.000 1.110 82 N HN 0.598 nan 8.380 nan 0.000 0.490 83 I N 1.531 122.211 120.570 0.182 0.000 2.410 83 I HA 0.115 4.285 4.170 -0.000 0.000 0.286 83 I C -0.258 175.975 176.117 0.193 0.000 1.009 83 I CA -0.590 60.812 61.300 0.170 0.000 1.111 83 I CB 1.328 39.410 38.000 0.136 0.000 1.262 83 I HN 0.268 nan 8.210 nan 0.000 0.443 84 D N 5.409 125.869 120.400 0.100 0.000 2.708 84 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 84 D C 1.101 177.454 176.300 0.087 0.000 1.146 84 D CA 1.794 55.841 54.000 0.077 0.000 0.662 84 D CB -0.980 39.862 40.800 0.070 0.000 1.059 84 D HN 1.140 nan 8.370 nan 0.000 0.428 85 G N -0.928 107.915 108.800 0.073 0.000 2.159 85 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.256 85 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.256 85 G C -0.087 174.852 174.900 0.065 0.000 0.977 85 G CA 0.370 45.501 45.100 0.052 0.000 0.652 85 G HN 0.552 nan 8.290 nan 0.000 0.531 86 Y N 1.547 121.792 120.300 -0.092 0.000 2.341 86 Y HA 0.596 5.145 4.550 -0.000 0.000 0.338 86 Y C -2.421 173.280 175.900 -0.333 0.000 0.965 86 Y CA -2.738 55.207 58.100 -0.258 0.000 1.108 86 Y CB 2.309 40.521 38.460 -0.413 0.000 1.180 86 Y HN 0.014 nan 8.280 nan 0.000 0.458 87 P HA 0.149 nan 4.420 nan 0.000 0.281 87 P C -1.652 175.168 177.300 -0.799 0.000 1.286 87 P CA 0.269 63.003 63.100 -0.610 0.000 0.772 87 P CB 0.035 31.455 31.700 -0.466 0.000 0.862 88 Y N 1.433 121.483 120.300 -0.416 0.000 2.335 88 Y HA 0.219 4.769 4.550 -0.000 0.000 0.339 88 Y C 1.190 176.810 175.900 -0.467 0.000 0.987 88 Y CA -0.347 57.432 58.100 -0.534 0.000 1.140 88 Y CB 1.163 39.347 38.460 -0.459 0.000 1.173 88 Y HN 0.247 nan 8.280 nan 0.000 0.486 89 E N 4.873 124.900 120.200 -0.289 0.000 2.089 89 E HA 0.121 4.471 4.350 -0.000 0.000 0.284 89 E C 0.334 177.015 176.600 0.135 0.000 1.023 89 E CA -0.135 56.209 56.400 -0.094 0.000 0.819 89 E CB 1.132 30.793 29.700 -0.065 0.000 1.076 89 E HN 0.760 nan 8.360 nan 0.000 0.396 90 M N 1.030 120.554 119.600 -0.127 0.000 2.334 90 M HA 0.072 4.552 4.480 -0.000 0.000 0.266 90 M C 1.222 177.858 176.300 0.559 0.000 1.082 90 M CA 0.757 56.078 55.300 0.034 0.000 1.141 90 M CB -0.354 31.795 32.600 -0.751 0.000 1.380 90 M HN 0.469 nan 8.290 nan 0.000 0.440 91 G N -0.661 108.401 108.800 0.436 0.000 3.259 91 G HA2 0.481 4.441 3.960 -0.000 0.000 0.193 91 G HA3 0.481 4.441 3.960 -0.000 0.000 0.193 91 G C -0.203 174.819 174.900 0.204 0.000 1.457 91 G CA -0.040 45.279 45.100 0.365 0.000 0.771 91 G HN 0.377 nan 8.290 nan 0.000 0.765 92 G N -0.293 108.595 108.800 0.147 0.000 2.340 92 G HA2 0.415 4.374 3.960 -0.000 0.000 0.245 92 G HA3 0.415 4.374 3.960 -0.000 0.000 0.245 92 G C 0.360 175.308 174.900 0.080 0.000 1.294 92 G CA 0.840 46.017 45.100 0.127 0.000 0.896 92 G HN 0.412 nan 8.290 nan 0.000 0.522 93 T N 1.771 116.284 114.554 -0.068 0.000 3.221 93 T HA 0.143 4.493 4.350 -0.000 0.000 0.250 93 T C 0.288 174.825 174.700 -0.272 0.000 0.988 93 T CA 0.031 61.930 62.100 -0.334 0.000 1.163 93 T CB 0.268 68.525 68.868 -1.018 0.000 1.098 93 T HN 0.532 nan 8.240 nan 0.000 0.422 94 W N 3.652 124.983 121.300 0.051 0.000 2.376 94 W HA 0.615 5.274 4.660 -0.001 0.000 0.322 94 W C -0.164 176.298 176.519 -0.095 0.000 1.160 94 W CA -1.051 56.273 57.345 -0.036 0.000 1.218 94 W CB 0.601 30.030 29.460 -0.052 0.000 1.205 94 W HN 0.065 nan 8.180 nan 0.000 0.559 95 V N -0.169 119.791 119.914 0.077 0.000 3.160 95 V HA 0.657 4.777 4.120 -0.000 0.000 0.310 95 V C -0.978 175.097 176.094 -0.032 0.000 1.181 95 V CA -0.767 61.502 62.300 -0.052 0.000 1.047 95 V CB 2.761 34.511 31.823 -0.121 0.000 1.068 95 V HN 0.710 nan 8.190 nan 0.000 0.441 96 H N 0.742 119.650 119.070 -0.270 0.000 3.068 96 H HA 0.231 4.787 4.556 -0.000 0.000 0.342 96 H C -0.526 174.449 175.328 -0.589 0.000 1.284 96 H CA -0.005 55.710 56.048 -0.555 0.000 1.181 96 H CB 1.842 31.137 29.762 -0.779 0.000 1.898 96 H HN 0.995 nan 8.280 nan 0.000 0.540 97 W N 2.361 122.924 121.300 -1.229 0.000 2.611 97 W HA 0.057 4.717 4.660 -0.000 0.000 0.251 97 W C 0.718 177.051 176.519 -0.311 0.000 1.265 97 W CA 0.369 56.907 57.345 -1.346 0.000 1.295 97 W CB -0.640 27.656 29.460 -1.940 0.000 1.129 97 W HN 0.527 nan 8.180 nan 0.000 0.630 98 H N 0.391 119.362 119.070 -0.165 0.000 2.547 98 H HA 0.128 4.683 4.556 -0.000 0.000 0.266 98 H C 0.336 175.661 175.328 -0.006 0.000 0.988 98 H CA 0.148 56.178 56.048 -0.029 0.000 1.147 98 H CB 0.190 29.897 29.762 -0.091 0.000 1.365 98 H HN 0.240 nan 8.280 nan 0.000 0.589 99 Q N 0.648 120.383 119.800 -0.109 0.000 2.398 99 Q HA 0.095 4.435 4.340 -0.000 0.000 0.251 99 Q C 0.789 176.811 176.000 0.037 0.000 0.999 99 Q CA -0.344 55.258 55.803 -0.335 0.000 0.874 99 Q CB 2.041 30.290 28.738 -0.815 0.000 1.215 99 Q HN 0.118 nan 8.270 nan 0.000 0.470 100 S N 2.983 118.774 115.700 0.152 0.000 2.359 100 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 100 S C 1.331 175.931 174.600 -0.001 0.000 1.035 100 S CA 1.484 59.706 58.200 0.036 0.000 1.018 100 S CB 0.041 63.149 63.200 -0.153 0.000 0.876 100 S HN 0.719 nan 8.310 nan 0.000 0.448 101 H N -0.626 118.559 119.070 0.191 0.000 2.384 101 H HA 0.117 4.673 4.556 -0.000 0.000 0.300 101 H C 2.462 177.910 175.328 0.201 0.000 1.057 101 H CA 1.256 57.413 56.048 0.182 0.000 1.370 101 H CB -0.863 29.004 29.762 0.175 0.000 1.417 101 H HN 0.370 nan 8.280 nan 0.000 0.527 102 V N 1.480 121.575 119.914 0.301 0.000 2.343 102 V HA -0.213 3.906 4.120 -0.000 0.000 0.247 102 V C 2.154 178.399 176.094 0.253 0.000 1.051 102 V CA 1.504 63.975 62.300 0.284 0.000 1.036 102 V CB -0.545 31.381 31.823 0.171 0.000 0.654 102 V HN 0.552 nan 8.190 nan 0.000 0.451 103 W N 0.705 122.041 121.300 0.060 0.000 2.374 103 W HA -0.165 4.495 4.660 -0.000 0.000 0.288 103 W C 2.609 179.171 176.519 0.071 0.000 1.218 103 W CA 1.829 59.206 57.345 0.053 0.000 1.245 103 W CB -0.178 29.317 29.460 0.058 0.000 1.126 103 W HN 0.205 nan 8.180 nan 0.000 0.545 104 R N 0.953 121.516 120.500 0.106 0.000 2.092 104 R HA -0.143 4.196 4.340 -0.000 0.000 0.231 104 R C 1.667 177.926 176.300 -0.070 0.000 1.119 104 R CA 1.361 57.464 56.100 0.006 0.000 0.970 104 R CB -0.366 29.962 30.300 0.048 0.000 0.864 104 R HN 0.112 nan 8.270 nan 0.000 0.440 105 E N 0.629 120.852 120.200 0.038 0.000 2.107 105 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 105 E C 2.153 178.789 176.600 0.059 0.000 0.982 105 E CA 0.727 57.143 56.400 0.027 0.000 0.809 105 E CB -0.213 29.715 29.700 0.379 0.000 0.756 105 E HN 0.410 nan 8.360 nan 0.000 0.459 106 I N 1.515 122.071 120.570 -0.022 0.000 2.179 106 I HA -0.267 3.902 4.170 -0.000 0.000 0.242 106 I C 2.639 178.599 176.117 -0.262 0.000 1.088 106 I CA 1.872 63.042 61.300 -0.216 0.000 1.357 106 I CB -0.427 37.200 38.000 -0.623 0.000 1.051 106 I HN 0.185 nan 8.210 nan 0.000 0.409 107 T N -1.596 112.711 114.554 -0.412 0.000 2.896 107 T HA -0.153 4.197 4.350 -0.000 0.000 0.263 107 T C 2.004 176.641 174.700 -0.106 0.000 1.050 107 T CA 0.624 62.591 62.100 -0.221 0.000 1.140 107 T CB -0.332 68.352 68.868 -0.306 0.000 0.877 107 T HN 0.259 nan 8.240 nan 0.000 0.457 108 R N -0.367 120.020 120.500 -0.188 0.000 2.096 108 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 108 R C 1.368 177.553 176.300 -0.192 0.000 1.127 108 R CA 1.148 57.112 56.100 -0.228 0.000 0.968 108 R CB -0.321 29.767 30.300 -0.354 0.000 0.861 108 R HN 0.439 nan 8.270 nan 0.000 0.440 109 Y N 0.845 121.108 120.300 -0.061 0.000 2.502 109 Y HA 0.173 4.723 4.550 -0.000 0.000 0.295 109 Y C 0.101 175.973 175.900 -0.046 0.000 1.193 109 Y CA 0.071 58.136 58.100 -0.060 0.000 1.295 109 Y CB -0.094 38.331 38.460 -0.057 0.000 1.059 109 Y HN -0.005 nan 8.280 nan 0.000 0.514 110 K N -0.290 120.170 120.400 0.099 0.000 3.244 110 K HA -0.246 4.074 4.320 -0.000 0.000 0.270 110 K C 0.277 176.783 176.600 -0.155 0.000 1.016 110 K CA 0.701 57.005 56.287 0.030 0.000 0.754 110 K CB -1.554 30.968 32.500 0.037 0.000 1.326 110 K HN 0.410 nan 8.250 nan 0.000 0.465 111 M N -0.555 118.955 119.600 -0.150 0.000 2.347 111 M HA 0.048 4.527 4.480 -0.000 0.000 0.324 111 M C 1.611 177.760 176.300 -0.251 0.000 1.028 111 M CA -0.260 54.946 55.300 -0.157 0.000 0.988 111 M CB 0.280 32.900 32.600 0.034 0.000 1.528 111 M HN 0.344 nan 8.290 nan 0.000 0.550 112 H N -0.727 118.227 119.070 -0.194 0.000 2.457 112 H HA 0.009 4.565 4.556 -0.000 0.000 0.297 112 H C 0.423 175.731 175.328 -0.034 0.000 1.092 112 H CA 1.006 56.924 56.048 -0.216 0.000 1.309 112 H CB -0.470 29.174 29.762 -0.197 0.000 1.382 112 H HN 0.323 nan 8.280 nan 0.000 0.535 113 N N 0.687 119.156 118.700 -0.385 0.000 2.251 113 N HA 0.224 4.964 4.740 -0.000 0.000 0.217 113 N C 0.470 175.914 175.510 -0.110 0.000 1.124 113 N CA 0.562 53.519 53.050 -0.156 0.000 0.843 113 N CB 0.867 39.266 38.487 -0.146 0.000 1.024 113 N HN 0.470 nan 8.380 nan 0.000 0.501 114 A N 0.415 123.183 122.820 -0.087 0.000 2.708 114 A HA 0.385 4.705 4.320 -0.000 0.000 0.293 114 A C 0.156 177.769 177.584 0.049 0.000 1.303 114 A CA -0.252 51.781 52.037 -0.006 0.000 0.949 114 A CB -0.184 18.827 19.000 0.018 0.000 1.121 114 A HN 0.105 nan 8.150 nan 0.000 0.542 115 L N -0.374 120.852 121.223 0.005 0.000 2.330 115 L HA 0.620 4.960 4.340 -0.000 0.000 0.271 115 L C -0.018 176.871 176.870 0.032 0.000 1.013 115 L CA -0.560 54.279 54.840 -0.002 0.000 0.816 115 L CB 2.108 44.149 42.059 -0.029 0.000 1.287 115 L HN 0.096 nan 8.230 nan 0.000 0.435 116 S N 1.021 116.768 115.700 0.078 0.000 2.513 116 S HA 0.553 5.023 4.470 -0.000 0.000 0.299 116 S C -2.663 172.077 174.600 0.233 0.000 1.087 116 S CA -1.147 57.124 58.200 0.119 0.000 1.012 116 S CB 2.124 65.381 63.200 0.095 0.000 1.044 116 S HN 0.367 nan 8.310 nan 0.000 0.485 117 P HA 0.304 nan 4.420 nan 0.000 0.282 117 P C 0.098 177.478 177.300 0.133 0.000 1.262 117 P CA -0.198 63.078 63.100 0.294 0.000 0.773 117 P CB 1.143 33.002 31.700 0.265 0.000 0.879 118 S N 2.273 118.008 115.700 0.058 0.000 2.383 118 S HA -0.011 4.458 4.470 -0.000 0.000 0.227 118 S C 0.596 175.017 174.600 -0.298 0.000 1.026 118 S CA 0.977 59.127 58.200 -0.084 0.000 0.981 118 S CB -0.563 62.560 63.200 -0.129 0.000 0.818 118 S HN 0.409 nan 8.310 nan 0.000 0.472 119 F N 2.341 122.206 119.950 -0.141 0.000 2.410 119 F HA 0.482 5.009 4.527 -0.000 0.000 0.348 119 F C 0.495 176.065 175.800 -0.384 0.000 1.106 119 F CA -0.871 56.906 58.000 -0.373 0.000 1.163 119 F CB 0.471 39.065 39.000 -0.675 0.000 1.129 119 F HN -0.045 nan 8.300 nan 0.000 0.516 120 N N 3.179 121.771 118.700 -0.180 0.000 2.558 120 N HA 0.244 4.984 4.740 -0.000 0.000 0.285 120 N C -1.038 174.519 175.510 0.078 0.000 1.112 120 N CA -0.470 52.536 53.050 -0.074 0.000 0.857 120 N CB 0.373 38.886 38.487 0.043 0.000 1.376 120 N HN 0.259 nan 8.380 nan 0.000 0.526 121 F N 0.928 120.930 119.950 0.086 0.000 2.647 121 F HA 0.208 4.735 4.527 -0.000 0.000 0.300 121 F C 2.042 177.897 175.800 0.092 0.000 1.106 121 F CA -0.355 57.695 58.000 0.084 0.000 1.313 121 F CB -0.341 38.688 39.000 0.048 0.000 1.007 121 F HN 0.524 nan 8.300 nan 0.000 0.536 122 S N 0.699 116.538 115.700 0.232 0.000 2.603 122 S HA 0.178 4.647 4.470 -0.000 0.000 0.220 122 S C 0.638 175.319 174.600 0.135 0.000 0.967 122 S CA -0.265 58.029 58.200 0.158 0.000 0.920 122 S CB -0.103 63.163 63.200 0.110 0.000 0.773 122 S HN 0.529 nan 8.310 nan 0.000 0.529 123 R N -2.259 118.332 120.500 0.151 0.000 2.752 123 R HA 0.632 4.972 4.340 -0.000 0.000 0.277 123 R C 0.421 176.795 176.300 0.124 0.000 1.024 123 R CA -0.607 55.563 56.100 0.116 0.000 0.866 123 R CB -0.195 30.160 30.300 0.092 0.000 1.278 123 R HN 0.563 nan 8.270 nan 0.000 0.473 124 G N -0.176 108.680 108.800 0.093 0.000 2.553 124 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 124 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 124 G C 0.706 175.644 174.900 0.063 0.000 1.277 124 G CA 0.708 45.858 45.100 0.083 0.000 0.910 124 G HN 1.510 nan 8.290 nan 0.000 0.576 125 V N -1.870 118.061 119.914 0.029 0.000 2.667 125 V HA 0.170 4.289 4.120 -0.000 0.000 0.252 125 V C 1.459 177.472 176.094 -0.134 0.000 1.065 125 V CA 2.136 64.381 62.300 -0.092 0.000 1.083 125 V CB -1.114 30.546 31.823 -0.272 0.000 0.692 125 V HN 2.492 nan 8.190 nan 0.000 0.468 126 N N 1.829 120.522 118.700 -0.012 0.000 2.688 126 N HA -0.225 4.515 4.740 -0.000 0.000 0.258 126 N C -0.329 175.109 175.510 -0.119 0.000 1.016 126 N CA 1.349 54.433 53.050 0.058 0.000 0.747 126 N CB -1.755 36.791 38.487 0.098 0.000 0.895 126 N HN 1.189 nan 8.380 nan 0.000 0.543 127 H N -2.014 116.953 119.070 -0.173 0.000 3.017 127 H HA 0.625 5.181 4.556 -0.000 0.000 0.346 127 H C -1.464 173.603 175.328 -0.435 0.000 1.286 127 H CA -1.210 54.596 56.048 -0.404 0.000 1.120 127 H CB 0.083 29.810 29.762 -0.058 0.000 1.860 127 H HN 0.021 nan 8.280 nan 0.000 0.542 128 F N 1.644 121.402 119.950 -0.321 0.000 2.436 128 F HA 0.441 4.968 4.527 -0.000 0.000 0.340 128 F C -0.491 175.201 175.800 -0.179 0.000 1.113 128 F CA -0.678 57.153 58.000 -0.282 0.000 1.022 128 F CB 1.933 40.767 39.000 -0.278 0.000 1.128 128 F HN 0.788 nan 8.300 nan 0.000 0.466 129 Q N 6.907 126.260 119.800 -0.744 0.000 2.368 129 Q HA 0.491 4.831 4.340 -0.000 0.000 0.263 129 Q C -2.062 173.348 176.000 -0.984 0.000 1.009 129 Q CA -1.005 54.367 55.803 -0.720 0.000 0.818 129 Q CB 1.431 30.107 28.738 -0.102 0.000 1.239 129 Q HN 0.816 nan 8.270 nan 0.000 0.464 130 L N 4.550 125.184 121.223 -0.981 0.000 2.272 130 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 130 L C -1.256 175.436 176.870 -0.297 0.000 1.032 130 L CA -0.018 54.424 54.840 -0.663 0.000 0.810 130 L CB 1.214 42.941 42.059 -0.553 0.000 1.205 130 L HN 0.625 nan 8.230 nan 0.000 0.422 131 R N 2.811 123.264 120.500 -0.078 0.000 2.409 131 R HA 0.419 4.759 4.340 -0.000 0.000 0.313 131 R C 0.289 176.765 176.300 0.293 0.000 0.953 131 R CA 0.222 56.388 56.100 0.110 0.000 0.849 131 R CB 1.467 31.928 30.300 0.268 0.000 1.171 131 R HN 0.790 nan 8.270 nan 0.000 0.458 132 T N -1.614 113.051 114.554 0.185 0.000 3.010 132 T HA 0.098 4.448 4.350 -0.000 0.000 0.257 132 T C 0.250 175.009 174.700 0.098 0.000 1.020 132 T CA -0.149 62.067 62.100 0.192 0.000 0.938 132 T CB -0.193 68.726 68.868 0.085 0.000 1.049 132 T HN 0.650 nan 8.240 nan 0.000 0.522 133 N N -0.382 118.226 118.700 -0.153 0.000 2.708 133 N HA 0.450 5.190 4.740 -0.000 0.000 0.257 133 N C -2.898 171.929 175.510 -1.139 0.000 1.373 133 N CA -1.847 50.815 53.050 -0.647 0.000 0.843 133 N CB 0.871 39.160 38.487 -0.330 0.000 1.503 133 N HN -0.302 nan 8.380 nan 0.000 0.504 134 P HA -0.060 nan 4.420 nan 0.000 0.225 134 P C 0.460 177.543 177.300 -0.362 0.000 1.148 134 P CA 1.211 63.769 63.100 -0.903 0.000 0.779 134 P CB 0.035 31.416 31.700 -0.532 0.000 0.780 135 T N -2.179 112.197 114.554 -0.297 0.000 3.009 135 T HA 0.034 4.384 4.350 -0.000 0.000 0.258 135 T C 1.022 175.655 174.700 -0.111 0.000 1.063 135 T CA 1.047 63.052 62.100 -0.159 0.000 1.139 135 T CB -0.108 68.680 68.868 -0.133 0.000 0.890 135 T HN 0.140 nan 8.240 nan 0.000 0.471 136 T N 0.615 115.092 114.554 -0.129 0.000 2.883 136 T HA 0.619 4.969 4.350 -0.000 0.000 0.296 136 T C -1.504 173.139 174.700 -0.095 0.000 1.117 136 T CA -0.506 61.542 62.100 -0.087 0.000 1.006 136 T CB 1.899 70.714 68.868 -0.088 0.000 1.191 136 T HN -0.019 nan 8.240 nan 0.000 0.508 137 S N 0.929 116.560 115.700 -0.114 0.000 2.540 137 S HA 0.655 5.125 4.470 -0.000 0.000 0.275 137 S C -1.070 173.307 174.600 -0.370 0.000 1.123 137 S CA -0.661 57.375 58.200 -0.273 0.000 0.907 137 S CB 1.986 64.953 63.200 -0.389 0.000 1.081 137 S HN 0.766 nan 8.310 nan 0.000 0.476 138 T N 3.010 117.283 114.554 -0.469 0.000 2.771 138 T HA 0.552 4.901 4.350 -0.000 0.000 0.281 138 T C -1.142 173.159 174.700 -0.665 0.000 0.982 138 T CA -0.294 61.556 62.100 -0.416 0.000 0.978 138 T CB 0.265 68.992 68.868 -0.235 0.000 0.930 138 T HN 0.419 nan 8.240 nan 0.000 0.447 139 Y N 2.013 122.176 120.300 -0.228 0.000 2.419 139 Y HA 0.760 5.310 4.550 -0.000 0.000 0.328 139 Y C 0.291 176.074 175.900 -0.194 0.000 1.162 139 Y CA -1.228 56.687 58.100 -0.309 0.000 1.174 139 Y CB 1.604 39.829 38.460 -0.392 0.000 1.228 139 Y HN 0.461 nan 8.280 nan 0.000 0.473 140 M N 1.319 120.914 119.600 -0.009 0.000 2.490 140 M HA 0.262 4.742 4.480 -0.000 0.000 0.286 140 M C -0.889 175.404 176.300 -0.011 0.000 1.185 140 M CA -0.617 54.695 55.300 0.020 0.000 0.912 140 M CB 2.052 34.712 32.600 0.099 0.000 1.744 140 M HN 0.827 nan 8.290 nan 0.000 0.494 141 T N -1.129 113.406 114.554 -0.032 0.000 2.802 141 T HA 0.193 4.543 4.350 -0.000 0.000 0.305 141 T C 0.938 175.535 174.700 -0.172 0.000 1.053 141 T CA -0.120 61.919 62.100 -0.100 0.000 1.058 141 T CB 0.440 69.284 68.868 -0.041 0.000 0.988 141 T HN 0.696 nan 8.240 nan 0.000 0.539 142 H N 0.571 119.543 119.070 -0.164 0.000 2.491 142 H HA -0.008 4.548 4.556 -0.000 0.000 0.290 142 H C 1.993 177.222 175.328 -0.165 0.000 1.050 142 H CA 1.612 57.493 56.048 -0.278 0.000 1.309 142 H CB 0.057 29.400 29.762 -0.698 0.000 1.392 142 H HN 0.756 nan 8.280 nan 0.000 0.554 143 E N 0.649 120.850 120.200 0.001 0.000 2.046 143 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 143 E C 2.463 179.051 176.600 -0.020 0.000 0.982 143 E CA 1.052 57.453 56.400 0.002 0.000 0.800 143 E CB -0.186 29.520 29.700 0.010 0.000 0.756 143 E HN 0.370 nan 8.360 nan 0.000 0.449 144 A N 1.042 123.849 122.820 -0.022 0.000 1.930 144 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 144 A C 2.157 179.715 177.584 -0.043 0.000 1.175 144 A CA 1.679 53.704 52.037 -0.020 0.000 0.627 144 A CB -0.500 18.500 19.000 -0.000 0.000 0.815 144 A HN 0.318 nan 8.150 nan 0.000 0.443 145 E N -0.048 120.107 120.200 -0.075 0.000 2.051 145 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 145 E C 1.251 177.692 176.600 -0.265 0.000 0.991 145 E CA 1.472 57.721 56.400 -0.251 0.000 0.799 145 E CB -0.234 29.175 29.700 -0.484 0.000 0.748 145 E HN 0.482 nan 8.360 nan 0.000 0.449 146 D N 0.314 120.632 120.400 -0.137 0.000 2.123 146 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 146 D C 1.886 178.109 176.300 -0.128 0.000 0.992 146 D CA 1.393 55.372 54.000 -0.035 0.000 0.833 146 D CB -0.181 40.652 40.800 0.054 0.000 0.954 146 D HN 0.245 nan 8.370 nan 0.000 0.455 147 E N 0.014 120.152 120.200 -0.104 0.000 2.112 147 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 147 E C 1.912 178.429 176.600 -0.139 0.000 0.979 147 E CA 0.204 56.545 56.400 -0.097 0.000 0.814 147 E CB -0.319 29.351 29.700 -0.051 0.000 0.762 147 E HN 0.129 nan 8.360 nan 0.000 0.460 148 L N 0.016 121.149 121.223 -0.151 0.000 2.042 148 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 148 L C 2.003 178.728 176.870 -0.243 0.000 1.076 148 L CA 1.634 56.385 54.840 -0.148 0.000 0.749 148 L CB -0.488 41.516 42.059 -0.091 0.000 0.893 148 L HN 0.253 nan 8.230 nan 0.000 0.432 149 L N -0.894 120.075 121.223 -0.423 0.000 2.072 149 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 149 L C 2.782 179.293 176.870 -0.599 0.000 1.079 149 L CA 1.323 55.770 54.840 -0.655 0.000 0.752 149 L CB -0.627 40.725 42.059 -1.179 0.000 0.906 149 L HN 0.248 nan 8.230 nan 0.000 0.436 150 R N -0.534 119.668 120.500 -0.497 0.000 2.080 150 R HA -0.221 4.118 4.340 -0.000 0.000 0.236 150 R C 2.533 178.814 176.300 -0.032 0.000 1.137 150 R CA 2.030 58.044 56.100 -0.145 0.000 0.943 150 R CB -0.510 29.782 30.300 -0.014 0.000 0.846 150 R HN 0.369 nan 8.270 nan 0.000 0.431 151 S N -0.170 115.490 115.700 -0.067 0.000 2.359 151 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 151 S C 2.052 176.654 174.600 0.004 0.000 1.035 151 S CA 1.511 59.705 58.200 -0.010 0.000 1.018 151 S CB -0.249 62.929 63.200 -0.037 0.000 0.876 151 S HN 0.519 nan 8.310 nan 0.000 0.448 152 A N 1.153 123.924 122.820 -0.081 0.000 1.902 152 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 152 A C 2.285 179.824 177.584 -0.074 0.000 1.181 152 A CA 1.483 53.462 52.037 -0.097 0.000 0.623 152 A CB -0.811 18.084 19.000 -0.175 0.000 0.818 152 A HN 0.581 nan 8.150 nan 0.000 0.443 153 L N -1.457 119.710 121.223 -0.093 0.000 2.156 153 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 153 L C 2.609 179.448 176.870 -0.051 0.000 1.095 153 L CA 1.250 56.043 54.840 -0.078 0.000 0.770 153 L CB -0.555 41.487 42.059 -0.029 0.000 0.914 153 L HN 0.623 nan 8.230 nan 0.000 0.439 154 H N 1.006 120.075 119.070 -0.001 0.000 2.321 154 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 154 H C 2.064 177.396 175.328 0.006 0.000 1.087 154 H CA 1.850 57.925 56.048 0.045 0.000 1.319 154 H CB 0.341 30.146 29.762 0.072 0.000 1.379 154 H HN 0.255 nan 8.280 nan 0.000 0.501 155 K N -0.350 120.019 120.400 -0.053 0.000 2.057 155 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 155 K C 2.132 178.685 176.600 -0.078 0.000 1.050 155 K CA 1.229 57.458 56.287 -0.097 0.000 0.935 155 K CB -0.255 32.243 32.500 -0.003 0.000 0.715 155 K HN 0.123 nan 8.250 nan 0.000 0.439 156 F N 1.747 121.578 119.950 -0.197 0.000 2.134 156 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 156 F C 2.287 178.030 175.800 -0.096 0.000 1.097 156 F CA 1.898 59.788 58.000 -0.183 0.000 1.264 156 F CB -0.442 38.417 39.000 -0.235 0.000 1.001 156 F HN 0.066 nan 8.300 nan 0.000 0.479 157 T N -3.027 111.401 114.554 -0.211 0.000 3.057 157 T HA 0.040 4.390 4.350 -0.000 0.000 0.254 157 T C 1.131 175.699 174.700 -0.219 0.000 1.094 157 T CA 0.238 62.142 62.100 -0.327 0.000 1.088 157 T CB -0.631 67.752 68.868 -0.808 0.000 0.934 157 T HN 0.087 nan 8.240 nan 0.000 0.497 158 N N 2.657 121.209 118.700 -0.245 0.000 3.193 158 N HA 0.093 4.833 4.740 -0.000 0.000 0.312 158 N C 1.229 176.655 175.510 -0.140 0.000 1.261 158 N CA -0.086 52.834 53.050 -0.217 0.000 1.208 158 N CB 0.045 38.280 38.487 -0.420 0.000 1.471 158 N HN 0.467 nan 8.380 nan 0.000 0.548 159 V N -1.897 117.940 119.914 -0.127 0.000 3.306 159 V HA 0.094 4.214 4.120 -0.000 0.000 0.264 159 V C 0.640 176.725 176.094 -0.015 0.000 1.149 159 V CA 1.233 63.472 62.300 -0.101 0.000 1.143 159 V CB -0.247 31.393 31.823 -0.304 0.000 0.767 159 V HN 0.391 nan 8.190 nan 0.000 0.476 160 D N -1.525 118.865 120.400 -0.017 0.000 2.538 160 D HA 0.311 4.951 4.640 -0.000 0.000 0.241 160 D C 1.459 177.776 176.300 0.027 0.000 1.297 160 D CA 0.455 54.475 54.000 0.033 0.000 0.804 160 D CB 0.435 41.266 40.800 0.051 0.000 1.122 160 D HN 0.668 nan 8.370 nan 0.000 0.519 161 G N 0.846 109.653 108.800 0.013 0.000 2.320 161 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.242 161 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.242 161 G C 1.033 175.960 174.900 0.045 0.000 1.033 161 G CA 0.813 45.930 45.100 0.028 0.000 0.620 161 G HN 0.841 nan 8.290 nan 0.000 0.517 162 T N -1.916 112.659 114.554 0.034 0.000 3.228 162 T HA 0.404 4.753 4.350 -0.000 0.000 0.278 162 T C 0.773 175.522 174.700 0.083 0.000 1.014 162 T CA 0.678 62.799 62.100 0.035 0.000 0.904 162 T CB -0.164 68.686 68.868 -0.029 0.000 1.110 162 T HN 0.741 nan 8.240 nan 0.000 0.541 163 N N 1.373 120.146 118.700 0.120 0.000 2.735 163 N HA -0.225 4.515 4.740 -0.000 0.000 0.248 163 N C 1.127 176.851 175.510 0.357 0.000 1.083 163 N CA 1.147 54.344 53.050 0.245 0.000 0.703 163 N CB -1.600 37.189 38.487 0.502 0.000 1.005 163 N HN 1.052 nan 8.380 nan 0.000 0.550 164 G N -0.585 108.317 108.800 0.170 0.000 2.232 164 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.226 164 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.226 164 G C 0.956 175.945 174.900 0.148 0.000 0.996 164 G CA 0.485 45.713 45.100 0.214 0.000 0.626 164 G HN 0.486 nan 8.290 nan 0.000 0.509 165 R N 0.276 120.711 120.500 -0.108 0.000 2.148 165 R HA 0.051 4.391 4.340 -0.000 0.000 0.227 165 R C 2.530 178.729 176.300 -0.168 0.000 1.103 165 R CA 1.759 57.615 56.100 -0.407 0.000 0.983 165 R CB -0.313 29.637 30.300 -0.583 0.000 0.874 165 R HN 0.466 nan 8.270 nan 0.000 0.451 166 T N 0.298 114.822 114.554 -0.049 0.000 2.814 166 T HA -0.063 4.287 4.350 -0.000 0.000 0.254 166 T C 1.986 176.742 174.700 0.094 0.000 1.037 166 T CA 1.362 63.472 62.100 0.015 0.000 1.143 166 T CB -0.072 68.817 68.868 0.034 0.000 0.866 166 T HN 0.207 nan 8.240 nan 0.000 0.431 167 V N -0.882 119.117 119.914 0.141 0.000 2.871 167 V HA 0.281 4.401 4.120 -0.000 0.000 0.256 167 V C 0.943 177.184 176.094 0.245 0.000 1.082 167 V CA 0.760 63.209 62.300 0.248 0.000 1.105 167 V CB -0.492 31.544 31.823 0.354 0.000 0.713 167 V HN 0.286 nan 8.190 nan 0.000 0.473 168 L N 2.086 123.397 121.223 0.146 0.000 2.551 168 L HA 0.541 4.881 4.340 -0.000 0.000 0.248 168 L C -1.626 175.260 176.870 0.028 0.000 1.509 168 L CA -1.365 53.496 54.840 0.035 0.000 0.842 168 L CB 1.474 43.467 42.059 -0.110 0.000 1.087 168 L HN -0.018 nan 8.230 nan 0.000 0.512 169 P HA -0.051 nan 4.420 nan 0.000 0.220 169 P C 0.092 177.092 177.300 -0.501 0.000 1.152 169 P CA 0.986 63.893 63.100 -0.321 0.000 0.812 169 P CB 0.131 31.553 31.700 -0.462 0.000 0.792 170 F N 1.083 120.948 119.950 -0.140 0.000 2.310 170 F HA 0.363 4.890 4.527 -0.000 0.000 0.365 170 F C -1.461 174.252 175.800 -0.145 0.000 1.080 170 F CA -2.648 55.248 58.000 -0.173 0.000 1.187 170 F CB 0.891 39.690 39.000 -0.337 0.000 1.465 170 F HN -0.110 nan 8.300 nan 0.000 0.496 171 P HA -0.186 nan 4.420 nan 0.000 0.221 171 P C 1.013 178.195 177.300 -0.196 0.000 1.145 171 P CA 1.608 64.519 63.100 -0.314 0.000 0.795 171 P CB 0.048 31.333 31.700 -0.693 0.000 0.775 172 H N -1.421 117.613 119.070 -0.060 0.000 2.546 172 H HA 0.052 4.608 4.556 -0.000 0.000 0.277 172 H C 0.247 175.575 175.328 0.001 0.000 1.004 172 H CA 1.016 57.059 56.048 -0.008 0.000 1.231 172 H CB -0.174 29.582 29.762 -0.010 0.000 1.382 172 H HN 0.108 nan 8.280 nan 0.000 0.580 173 D N 0.016 120.471 120.400 0.092 0.000 2.364 173 D HA 0.017 4.657 4.640 -0.000 0.000 0.251 173 D C 1.220 177.539 176.300 0.032 0.000 1.282 173 D CA -0.354 53.690 54.000 0.074 0.000 0.927 173 D CB 0.064 40.936 40.800 0.121 0.000 1.267 173 D HN 0.228 nan 8.370 nan 0.000 0.531 174 M N 0.067 119.571 119.600 -0.160 0.000 2.267 174 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 174 M C 0.059 176.316 176.300 -0.072 0.000 1.063 174 M CA 1.410 56.535 55.300 -0.293 0.000 1.090 174 M CB -0.369 31.974 32.600 -0.427 0.000 1.392 174 M HN 0.063 nan 8.290 nan 0.000 0.422 175 F N -0.799 119.275 119.950 0.207 0.000 2.692 175 F HA 0.190 4.716 4.527 -0.000 0.000 0.303 175 F C 1.754 177.680 175.800 0.209 0.000 1.114 175 F CA -0.773 57.352 58.000 0.208 0.000 1.361 175 F CB -1.307 37.782 39.000 0.148 0.000 1.063 175 F HN 0.127 nan 8.300 nan 0.000 0.550 176 Y N 0.425 120.875 120.300 0.249 0.000 2.165 176 Y HA -0.109 4.441 4.550 -0.000 0.000 0.286 176 Y C 0.736 176.766 175.900 0.217 0.000 1.155 176 Y CA 1.091 59.322 58.100 0.218 0.000 1.164 176 Y CB 0.111 38.723 38.460 0.254 0.000 0.978 176 Y HN -0.229 nan 8.280 nan 0.000 0.513 177 V N 2.062 122.194 119.914 0.363 0.000 2.334 177 V HA 0.176 4.296 4.120 -0.000 0.000 0.281 177 V C -1.683 174.587 176.094 0.293 0.000 1.016 177 V CA -1.423 61.038 62.300 0.270 0.000 0.832 177 V CB 1.378 33.382 31.823 0.301 0.000 0.999 177 V HN 0.030 nan 8.190 nan 0.000 0.439 178 P HA -0.154 nan 4.420 nan 0.000 0.218 178 P C 1.500 178.936 177.300 0.227 0.000 1.148 178 P CA 0.948 64.169 63.100 0.201 0.000 0.822 178 P CB 0.445 32.203 31.700 0.097 0.000 0.784 179 E N -1.256 119.069 120.200 0.208 0.000 2.265 179 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 179 E C 1.630 178.403 176.600 0.289 0.000 0.996 179 E CA 0.428 56.939 56.400 0.186 0.000 0.832 179 E CB -0.586 29.223 29.700 0.182 0.000 0.756 179 E HN 0.136 nan 8.360 nan 0.000 0.491 180 F N 1.672 121.784 119.950 0.271 0.000 2.236 180 F HA -0.201 4.326 4.527 -0.000 0.000 0.302 180 F C 2.211 178.172 175.800 0.268 0.000 1.073 180 F CA 1.502 59.700 58.000 0.330 0.000 1.336 180 F CB -0.098 39.059 39.000 0.261 0.000 1.040 180 F HN -0.085 nan 8.300 nan 0.000 0.507 181 R N 1.118 121.709 120.500 0.151 0.000 2.103 181 R HA -0.256 4.084 4.340 -0.000 0.000 0.242 181 R C 2.464 178.684 176.300 -0.134 0.000 1.142 181 R CA 2.168 58.308 56.100 0.066 0.000 0.960 181 R CB -0.386 30.023 30.300 0.182 0.000 0.858 181 R HN 0.502 nan 8.270 nan 0.000 0.439 182 K N -0.970 119.291 120.400 -0.231 0.000 2.147 182 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 182 K C 1.445 177.818 176.600 -0.378 0.000 1.049 182 K CA 1.520 57.612 56.287 -0.325 0.000 0.936 182 K CB -0.281 31.963 32.500 -0.426 0.000 0.722 182 K HN 0.203 nan 8.250 nan 0.000 0.446 183 Y N 1.932 122.140 120.300 -0.154 0.000 2.263 183 Y HA -0.085 4.465 4.550 -0.000 0.000 0.292 183 Y C 2.089 177.878 175.900 -0.186 0.000 1.130 183 Y CA 1.235 59.274 58.100 -0.102 0.000 1.179 183 Y CB -0.739 37.615 38.460 -0.177 0.000 0.998 183 Y HN 0.293 nan 8.280 nan 0.000 0.532 184 D N 0.325 120.522 120.400 -0.339 0.000 2.144 184 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 184 D C 1.455 177.765 176.300 0.016 0.000 0.984 184 D CA 1.442 55.365 54.000 -0.128 0.000 0.834 184 D CB -0.020 40.738 40.800 -0.071 0.000 0.955 184 D HN 0.405 nan 8.370 nan 0.000 0.465 185 E N -0.734 119.461 120.200 -0.008 0.000 2.478 185 E HA -0.033 4.316 4.350 -0.000 0.000 0.198 185 E C 0.515 177.141 176.600 0.042 0.000 1.046 185 E CA -0.079 56.332 56.400 0.018 0.000 0.870 185 E CB 0.053 29.746 29.700 -0.011 0.000 0.818 185 E HN 0.414 nan 8.360 nan 0.000 0.527 186 M N 1.228 120.884 119.600 0.093 0.000 2.314 186 M HA 0.127 4.607 4.480 -0.000 0.000 0.342 186 M C -0.030 176.387 176.300 0.195 0.000 1.171 186 M CA -0.381 54.995 55.300 0.126 0.000 1.098 186 M CB 1.069 33.769 32.600 0.165 0.000 1.559 186 M HN -0.107 nan 8.290 nan 0.000 0.459 187 S N 3.167 118.952 115.700 0.141 0.000 2.646 187 S HA 0.261 4.731 4.470 -0.000 0.000 0.276 187 S C 0.765 175.539 174.600 0.290 0.000 1.222 187 S CA -0.687 57.615 58.200 0.170 0.000 1.014 187 S CB 0.611 63.864 63.200 0.087 0.000 0.991 187 S HN 0.736 nan 8.310 nan 0.000 0.533 188 Y N 1.456 121.872 120.300 0.193 0.000 2.139 188 Y HA -0.149 4.400 4.550 -0.000 0.000 0.282 188 Y C 3.120 179.091 175.900 0.117 0.000 1.179 188 Y CA 1.268 59.508 58.100 0.233 0.000 1.161 188 Y CB -1.382 37.160 38.460 0.136 0.000 0.970 188 Y HN 0.829 nan 8.280 nan 0.000 0.511 189 S N -0.435 115.408 115.700 0.238 0.000 2.353 189 S HA -0.213 4.257 4.470 -0.000 0.000 0.222 189 S C 1.962 176.597 174.600 0.059 0.000 1.035 189 S CA 1.671 59.944 58.200 0.121 0.000 1.025 189 S CB -0.181 63.069 63.200 0.084 0.000 0.902 189 S HN 0.576 nan 8.310 nan 0.000 0.440 190 E N 0.076 120.297 120.200 0.036 0.000 2.110 190 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 190 E C 2.348 178.897 176.600 -0.085 0.000 0.988 190 E CA 1.029 57.418 56.400 -0.019 0.000 0.804 190 E CB -0.125 29.563 29.700 -0.019 0.000 0.745 190 E HN 0.190 nan 8.360 nan 0.000 0.458 191 R N 1.321 121.726 120.500 -0.159 0.000 2.073 191 R HA -0.077 4.262 4.340 -0.000 0.000 0.234 191 R C 1.992 178.202 176.300 -0.150 0.000 1.134 191 R CA 1.340 57.216 56.100 -0.373 0.000 0.952 191 R CB -0.678 29.064 30.300 -0.929 0.000 0.850 191 R HN 0.171 nan 8.270 nan 0.000 0.433 192 I N 0.899 121.478 120.570 0.016 0.000 2.264 192 I HA -0.283 3.886 4.170 -0.000 0.000 0.248 192 I C 1.378 177.493 176.117 -0.004 0.000 1.111 192 I CA 1.603 62.927 61.300 0.041 0.000 1.382 192 I CB -0.372 37.654 38.000 0.044 0.000 1.060 192 I HN 0.193 nan 8.210 nan 0.000 0.418 193 D N 0.452 120.844 120.400 -0.013 0.000 2.218 193 D HA -0.189 4.450 4.640 -0.000 0.000 0.204 193 D C 2.182 178.465 176.300 -0.029 0.000 0.976 193 D CA 1.082 55.072 54.000 -0.016 0.000 0.853 193 D CB -0.172 40.620 40.800 -0.013 0.000 0.939 193 D HN 0.489 nan 8.370 nan 0.000 0.481 194 Q N -0.378 119.391 119.800 -0.052 0.000 2.245 194 Q HA 0.014 4.354 4.340 -0.000 0.000 0.201 194 Q C 2.002 177.973 176.000 -0.048 0.000 0.955 194 Q CA 0.662 56.430 55.803 -0.058 0.000 0.870 194 Q CB 0.275 28.959 28.738 -0.090 0.000 0.945 194 Q HN 0.479 nan 8.270 nan 0.000 0.461 195 I N -4.008 116.537 120.570 -0.042 0.000 4.240 195 I HA 0.207 4.377 4.170 -0.000 0.000 0.331 195 I C 1.878 177.986 176.117 -0.015 0.000 1.381 195 I CA -0.377 60.906 61.300 -0.029 0.000 1.136 195 I CB 0.169 38.151 38.000 -0.029 0.000 1.137 195 I HN -0.122 nan 8.210 nan 0.000 0.411 196 R N 2.142 122.634 120.500 -0.013 0.000 2.132 196 R HA -0.231 4.109 4.340 -0.000 0.000 0.233 196 R C 1.465 177.761 176.300 -0.008 0.000 1.125 196 R CA 2.867 58.962 56.100 -0.009 0.000 0.914 196 R CB -0.396 29.900 30.300 -0.005 0.000 0.845 196 R HN 0.357 nan 8.270 nan 0.000 0.431 197 D N 0.285 120.681 120.400 -0.007 0.000 2.271 197 D HA -0.142 4.498 4.640 -0.000 0.000 0.207 197 D C 1.279 177.577 176.300 -0.005 0.000 0.983 197 D CA 0.988 54.985 54.000 -0.006 0.000 0.878 197 D CB -0.094 40.703 40.800 -0.006 0.000 0.920 197 D HN 0.346 nan 8.370 nan 0.000 0.479 198 E N -0.371 119.825 120.200 -0.006 0.000 2.479 198 E HA 0.135 4.485 4.350 -0.000 0.000 0.193 198 E C 0.224 176.822 176.600 -0.004 0.000 1.049 198 E CA -0.016 56.382 56.400 -0.003 0.000 0.870 198 E CB 0.576 30.276 29.700 -0.001 0.000 0.944 198 E HN 0.323 nan 8.360 nan 0.000 0.492 199 L N 1.150 122.368 121.223 -0.008 0.000 2.341 199 L HA 0.261 4.601 4.340 -0.000 0.000 0.278 199 L C 0.654 177.517 176.870 -0.012 0.000 1.005 199 L CA -0.817 54.014 54.840 -0.014 0.000 0.818 199 L CB 1.768 43.812 42.059 -0.025 0.000 1.259 199 L HN -0.125 nan 8.230 nan 0.000 0.418 200 S N 1.733 117.426 115.700 -0.012 0.000 2.589 200 S HA 0.105 4.575 4.470 -0.000 0.000 0.265 200 S C 0.919 175.515 174.600 -0.005 0.000 1.342 200 S CA -0.559 57.636 58.200 -0.008 0.000 1.005 200 S CB 0.943 64.137 63.200 -0.009 0.000 0.909 200 S HN 0.607 nan 8.310 nan 0.000 0.555 201 L N 1.467 122.691 121.223 0.002 0.000 2.042 201 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 201 L C 1.944 178.825 176.870 0.018 0.000 1.076 201 L CA 1.958 56.807 54.840 0.015 0.000 0.749 201 L CB -1.384 40.685 42.059 0.017 0.000 0.893 201 L HN 0.733 nan 8.230 nan 0.000 0.432 202 N N -0.030 118.675 118.700 0.009 0.000 2.166 202 N HA -0.186 4.554 4.740 -0.000 0.000 0.186 202 N C 1.801 177.310 175.510 -0.002 0.000 1.019 202 N CA 1.609 54.667 53.050 0.013 0.000 0.856 202 N CB -0.177 38.315 38.487 0.009 0.000 0.993 202 N HN 0.544 nan 8.380 nan 0.000 0.426 203 E N 0.262 120.447 120.200 -0.025 0.000 2.047 203 E HA -0.067 4.282 4.350 -0.000 0.000 0.191 203 E C 2.079 178.628 176.600 -0.084 0.000 0.987 203 E CA 0.563 56.928 56.400 -0.059 0.000 0.799 203 E CB 0.055 29.722 29.700 -0.054 0.000 0.752 203 E HN 0.232 nan 8.360 nan 0.000 0.449 204 R N 0.367 120.831 120.500 -0.060 0.000 2.075 204 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 204 R C 2.403 178.646 176.300 -0.095 0.000 1.126 204 R CA 1.515 57.568 56.100 -0.079 0.000 0.963 204 R CB -0.024 30.259 30.300 -0.030 0.000 0.858 204 R HN 0.018 nan 8.270 nan 0.000 0.435 205 S N 0.110 115.800 115.700 -0.016 0.000 2.359 205 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 205 S C 1.986 176.499 174.600 -0.144 0.000 1.035 205 S CA 1.653 59.859 58.200 0.009 0.000 1.018 205 S CB -0.210 63.075 63.200 0.142 0.000 0.876 205 S HN 0.331 nan 8.310 nan 0.000 0.448 206 S N 1.375 117.039 115.700 -0.061 0.000 2.359 206 S HA -0.069 4.401 4.470 -0.000 0.000 0.224 206 S C 1.841 176.354 174.600 -0.145 0.000 1.035 206 S CA 1.162 59.334 58.200 -0.047 0.000 1.018 206 S CB -0.464 62.711 63.200 -0.043 0.000 0.876 206 S HN 0.377 nan 8.310 nan 0.000 0.448 207 L N 1.874 122.956 121.223 -0.236 0.000 2.017 207 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 207 L C 2.069 178.654 176.870 -0.475 0.000 1.073 207 L CA 1.846 56.471 54.840 -0.357 0.000 0.745 207 L CB -0.693 41.119 42.059 -0.411 0.000 0.894 207 L HN 0.247 nan 8.230 nan 0.000 0.432 208 E N -0.317 119.581 120.200 -0.502 0.000 2.051 208 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 208 E C 2.171 178.385 176.600 -0.643 0.000 0.991 208 E CA 1.173 57.217 56.400 -0.593 0.000 0.799 208 E CB -0.347 29.035 29.700 -0.531 0.000 0.748 208 E HN 0.668 nan 8.360 nan 0.000 0.449 209 A N 0.899 123.277 122.820 -0.737 0.000 1.902 209 A HA -0.196 4.123 4.320 -0.000 0.000 0.217 209 A C 1.971 179.459 177.584 -0.162 0.000 1.181 209 A CA 1.132 52.938 52.037 -0.386 0.000 0.623 209 A CB -0.691 18.230 19.000 -0.132 0.000 0.818 209 A HN 0.310 nan 8.150 nan 0.000 0.443 210 F N 1.426 121.220 119.950 -0.260 0.000 2.113 210 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 210 F C 2.105 177.720 175.800 -0.309 0.000 1.103 210 F CA 1.815 59.667 58.000 -0.246 0.000 1.248 210 F CB -0.242 38.671 39.000 -0.145 0.000 0.999 210 F HN 0.347 nan 8.300 nan 0.000 0.475 211 I N -1.625 118.669 120.570 -0.459 0.000 2.394 211 I HA -0.195 3.974 4.170 -0.000 0.000 0.251 211 I C 1.914 177.816 176.117 -0.359 0.000 1.136 211 I CA 1.443 62.314 61.300 -0.716 0.000 1.425 211 I CB -0.812 36.298 38.000 -1.483 0.000 1.079 211 I HN 0.183 nan 8.210 nan 0.000 0.425 212 L N 0.357 121.432 121.223 -0.246 0.000 2.131 212 L HA -0.095 4.244 4.340 -0.000 0.000 0.206 212 L C 2.596 179.387 176.870 -0.132 0.000 1.087 212 L CA 0.691 55.478 54.840 -0.088 0.000 0.767 212 L CB -0.507 41.548 42.059 -0.007 0.000 0.917 212 L HN 0.307 nan 8.230 nan 0.000 0.441 213 L N -0.060 121.029 121.223 -0.224 0.000 2.021 213 L HA -0.307 4.033 4.340 -0.000 0.000 0.215 213 L C 2.453 179.193 176.870 -0.217 0.000 1.074 213 L CA 2.059 56.730 54.840 -0.282 0.000 0.760 213 L CB -0.672 40.988 42.059 -0.665 0.000 0.889 213 L HN 0.282 nan 8.230 nan 0.000 0.433 214 C N -1.017 118.056 119.300 -0.379 0.000 2.457 214 C HA -0.028 4.431 4.460 -0.000 0.000 0.278 214 C C 3.074 177.804 174.990 -0.434 0.000 1.309 214 C CA 0.862 59.625 59.018 -0.425 0.000 1.735 214 C CB -1.251 26.189 27.740 -0.499 0.000 1.992 214 C HN 0.824 nan 8.230 nan 0.000 0.493 215 S N -0.083 115.248 115.700 -0.616 0.000 2.439 215 S HA 0.269 4.739 4.470 -0.000 0.000 0.224 215 S C 1.761 176.159 174.600 -0.336 0.000 1.029 215 S CA 1.382 58.922 58.200 -1.100 0.000 0.946 215 S CB -0.445 61.865 63.200 -1.483 0.000 0.797 215 S HN 1.052 nan 8.310 nan 0.000 0.504 216 G N 0.601 109.327 108.800 -0.122 0.000 2.189 216 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.267 216 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.267 216 G C 0.563 175.375 174.900 -0.147 0.000 0.975 216 G CA 0.480 45.501 45.100 -0.132 0.000 0.644 216 G HN 1.105 nan 8.290 nan 0.000 0.537 217 G N -1.088 107.601 108.800 -0.186 0.000 3.134 217 G HA2 0.806 4.766 3.960 -0.000 0.000 0.158 217 G HA3 0.806 4.766 3.960 -0.000 0.000 0.158 217 G C 0.304 175.141 174.900 -0.105 0.000 1.334 217 G CA 1.009 46.012 45.100 -0.162 0.000 1.001 217 G HN 1.431 nan 8.290 nan 0.000 0.600 218 T N -2.193 112.295 114.554 -0.109 0.000 2.926 218 T HA 0.475 4.825 4.350 -0.000 0.000 0.289 218 T C 1.346 176.024 174.700 -0.037 0.000 1.054 218 T CA -0.689 61.387 62.100 -0.041 0.000 1.015 218 T CB 1.520 70.373 68.868 -0.026 0.000 1.167 218 T HN 0.141 nan 8.240 nan 0.000 0.526 219 L N 0.157 121.415 121.223 0.057 0.000 2.079 219 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 219 L C 2.596 179.508 176.870 0.069 0.000 1.081 219 L CA 1.594 56.511 54.840 0.128 0.000 0.752 219 L CB -0.512 41.633 42.059 0.143 0.000 0.896 219 L HN 0.742 nan 8.230 nan 0.000 0.433 220 E N -0.116 120.097 120.200 0.022 0.000 2.170 220 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 220 E C 1.473 178.058 176.600 -0.024 0.000 0.981 220 E CA 0.903 57.309 56.400 0.009 0.000 0.830 220 E CB -0.092 29.612 29.700 0.006 0.000 0.775 220 E HN 0.548 nan 8.360 nan 0.000 0.470 221 N N -0.714 117.948 118.700 -0.064 0.000 2.236 221 N HA 0.036 4.775 4.740 -0.000 0.000 0.196 221 N C -0.563 174.878 175.510 -0.117 0.000 1.114 221 N CA -0.070 52.937 53.050 -0.072 0.000 0.859 221 N CB 0.483 38.931 38.487 -0.065 0.000 0.982 221 N HN -0.219 nan 8.380 nan 0.000 0.493 222 S N 0.198 115.750 115.700 -0.247 0.000 2.438 222 S HA 0.221 4.691 4.470 -0.000 0.000 0.293 222 S C -0.276 174.173 174.600 -0.252 0.000 1.141 222 S CA -0.824 57.114 58.200 -0.436 0.000 1.080 222 S CB 1.155 63.606 63.200 -1.248 0.000 0.978 222 S HN 0.322 nan 8.310 nan 0.000 0.479 223 S N 3.482 119.217 115.700 0.060 0.000 2.466 223 S HA 0.064 4.534 4.470 -0.000 0.000 0.286 223 S C 1.006 175.869 174.600 0.438 0.000 1.221 223 S CA -0.591 57.728 58.200 0.198 0.000 1.091 223 S CB -0.472 62.800 63.200 0.120 0.000 0.956 223 S HN 0.606 nan 8.310 nan 0.000 0.501 224 F N 5.997 126.165 119.950 0.364 0.000 2.043 224 F HA -0.044 4.482 4.527 -0.000 0.000 0.297 224 F C 2.120 178.153 175.800 0.388 0.000 1.118 224 F CA 2.344 60.618 58.000 0.456 0.000 1.202 224 F CB -1.113 38.017 39.000 0.217 0.000 0.965 224 F HN 0.680 nan 8.300 nan 0.000 0.482 225 G N -0.736 108.120 108.800 0.093 0.000 2.469 225 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.219 225 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.219 225 G C 1.478 176.539 174.900 0.269 0.000 1.150 225 G CA 1.111 46.229 45.100 0.029 0.000 0.763 225 G HN 0.455 nan 8.290 nan 0.000 0.561 226 E N -0.062 120.247 120.200 0.182 0.000 2.085 226 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 226 E C 1.990 178.678 176.600 0.147 0.000 0.994 226 E CA 1.020 57.427 56.400 0.012 0.000 0.801 226 E CB -0.509 28.862 29.700 -0.549 0.000 0.743 226 E HN 0.410 nan 8.360 nan 0.000 0.453 227 F N 0.410 120.528 119.950 0.281 0.000 2.134 227 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 227 F C 1.867 177.800 175.800 0.220 0.000 1.097 227 F CA 1.304 59.495 58.000 0.318 0.000 1.264 227 F CB -0.176 39.100 39.000 0.460 0.000 1.001 227 F HN 0.038 nan 8.300 nan 0.000 0.479 228 L N -0.387 120.886 121.223 0.083 0.000 2.129 228 L HA -0.317 4.023 4.340 -0.000 0.000 0.212 228 L C 2.692 179.594 176.870 0.055 0.000 1.087 228 L CA 1.665 56.496 54.840 -0.015 0.000 0.757 228 L CB -0.997 40.998 42.059 -0.107 0.000 0.896 228 L HN 0.347 nan 8.230 nan 0.000 0.434 229 H N -0.752 118.331 119.070 0.022 0.000 2.293 229 H HA -0.228 4.328 4.556 -0.000 0.000 0.300 229 H C 2.061 177.347 175.328 -0.069 0.000 1.082 229 H CA 2.369 58.381 56.048 -0.061 0.000 1.308 229 H CB -0.097 29.674 29.762 0.015 0.000 1.375 229 H HN 0.289 nan 8.280 nan 0.000 0.495 230 W N 0.906 122.150 121.300 -0.095 0.000 2.318 230 W HA -0.229 4.431 4.660 -0.000 0.000 0.313 230 W C 2.837 179.152 176.519 -0.340 0.000 1.221 230 W CA 0.965 58.212 57.345 -0.162 0.000 1.266 230 W CB -1.402 28.053 29.460 -0.008 0.000 1.150 230 W HN 0.412 nan 8.180 nan 0.000 0.496 231 W N 0.923 122.008 121.300 -0.357 0.000 2.333 231 W HA -0.248 4.412 4.660 -0.000 0.000 0.316 231 W C 2.103 178.292 176.519 -0.550 0.000 1.215 231 W CA 2.821 59.944 57.345 -0.371 0.000 1.278 231 W CB -0.893 28.392 29.460 -0.292 0.000 1.154 231 W HN -0.092 nan 8.180 nan 0.000 0.486 232 A N 0.973 123.434 122.820 -0.599 0.000 1.865 232 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 232 A C 1.963 178.826 177.584 -1.203 0.000 1.191 232 A CA 2.445 53.652 52.037 -1.383 0.000 0.623 232 A CB -1.160 17.307 19.000 -0.888 0.000 0.826 232 A HN 0.279 nan 8.150 nan 0.000 0.444 233 M N 0.259 119.247 119.600 -1.019 0.000 2.144 233 M HA -0.106 4.374 4.480 -0.000 0.000 0.260 233 M C 2.044 177.865 176.300 -0.799 0.000 1.067 233 M CA 1.686 56.279 55.300 -1.178 0.000 1.095 233 M CB -1.644 29.746 32.600 -2.017 0.000 1.365 233 M HN 0.379 nan 8.290 nan 0.000 0.406 234 S N -0.872 114.481 115.700 -0.578 0.000 2.562 234 S HA 0.253 4.723 4.470 -0.000 0.000 0.221 234 S C 1.435 175.841 174.600 -0.324 0.000 0.975 234 S CA 0.767 58.820 58.200 -0.244 0.000 0.918 234 S CB 0.152 63.221 63.200 -0.217 0.000 0.772 234 S HN 0.753 nan 8.310 nan 0.000 0.531 235 G N 0.254 108.776 108.800 -0.464 0.000 2.175 235 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.182 235 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.182 235 G C 0.196 174.935 174.900 -0.268 0.000 1.003 235 G CA -0.332 44.599 45.100 -0.280 0.000 0.666 235 G HN 0.385 nan 8.290 nan 0.000 0.506 236 Y N -0.655 119.179 120.300 -0.776 0.000 3.929 236 Y HA -0.250 4.300 4.550 -0.000 0.000 0.225 236 Y C 1.214 176.367 175.900 -1.244 0.000 1.200 236 Y CA 2.090 59.497 58.100 -1.155 0.000 1.791 236 Y CB -2.337 35.898 38.460 -0.373 0.000 1.561 236 Y HN 1.242 nan 8.280 nan 0.000 0.657 237 T N -5.538 108.290 114.554 -1.209 0.000 2.883 237 T HA 0.450 4.800 4.350 -0.000 0.000 0.301 237 T C 0.230 174.514 174.700 -0.693 0.000 1.158 237 T CA -0.426 61.219 62.100 -0.758 0.000 1.007 237 T CB 1.460 70.168 68.868 -0.266 0.000 1.186 237 T HN 0.040 nan 8.240 nan 0.000 0.499 238 Y N 1.322 121.498 120.300 -0.207 0.000 2.145 238 Y HA -0.062 4.487 4.550 -0.000 0.000 0.286 238 Y C 2.606 178.423 175.900 -0.138 0.000 1.145 238 Y CA 2.111 60.206 58.100 -0.009 0.000 1.148 238 Y CB -0.337 38.156 38.460 0.056 0.000 0.981 238 Y HN 0.741 nan 8.280 nan 0.000 0.507 239 Q N 0.351 119.936 119.800 -0.359 0.000 2.079 239 Q HA -0.027 4.313 4.340 -0.000 0.000 0.200 239 Q C 2.498 178.244 176.000 -0.424 0.000 0.974 239 Q CA 1.937 57.464 55.803 -0.460 0.000 0.840 239 Q CB -1.108 27.480 28.738 -0.250 0.000 0.898 239 Q HN 0.558 nan 8.270 nan 0.000 0.430 240 G N -0.372 108.215 108.800 -0.355 0.000 2.469 240 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 240 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 240 G C 1.605 176.283 174.900 -0.370 0.000 1.150 240 G CA 1.154 46.039 45.100 -0.358 0.000 0.763 240 G HN 0.499 nan 8.290 nan 0.000 0.561 241 C N 0.408 119.524 119.300 -0.307 0.000 2.432 241 C HA 0.010 4.470 4.460 -0.000 0.000 0.277 241 C C 2.991 177.862 174.990 -0.198 0.000 1.249 241 C CA 0.992 59.937 59.018 -0.122 0.000 1.725 241 C CB -0.651 27.209 27.740 0.201 0.000 2.028 241 C HN 0.383 nan 8.230 nan 0.000 0.477 242 M N 0.830 120.206 119.600 -0.374 0.000 2.159 242 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 242 M C 1.622 177.659 176.300 -0.437 0.000 1.063 242 M CA 1.655 56.718 55.300 -0.395 0.000 1.110 242 M CB -1.582 30.659 32.600 -0.598 0.000 1.374 242 M HN 0.356 nan 8.290 nan 0.000 0.411 243 D N -0.312 119.782 120.400 -0.510 0.000 2.117 243 D HA -0.107 4.532 4.640 -0.000 0.000 0.197 243 D C 2.131 177.985 176.300 -0.743 0.000 0.987 243 D CA 1.161 54.786 54.000 -0.625 0.000 0.829 243 D CB -0.167 40.228 40.800 -0.675 0.000 0.961 243 D HN 0.355 nan 8.370 nan 0.000 0.460 244 C N -0.347 118.533 119.300 -0.698 0.000 2.504 244 C HA 0.175 4.634 4.460 -0.000 0.000 0.279 244 C C 2.510 177.234 174.990 -0.443 0.000 1.358 244 C CA -0.048 58.563 59.018 -0.677 0.000 1.747 244 C CB -0.557 26.833 27.740 -0.585 0.000 2.037 244 C HN 0.314 nan 8.230 nan 0.000 0.503 245 L N -1.133 119.910 121.223 -0.301 0.000 2.513 245 L HA 0.276 4.616 4.340 -0.000 0.000 0.222 245 L C 1.729 178.421 176.870 -0.298 0.000 1.096 245 L CA 0.809 55.558 54.840 -0.152 0.000 0.857 245 L CB -0.115 41.940 42.059 -0.006 0.000 1.026 245 L HN 0.247 nan 8.230 nan 0.000 0.469 246 M N -1.916 117.347 119.600 -0.562 0.000 3.052 246 M HA 0.146 4.626 4.480 -0.000 0.000 0.469 246 M C 0.561 176.205 176.300 -1.093 0.000 1.392 246 M CA 0.097 54.641 55.300 -1.261 0.000 0.804 246 M CB 0.797 32.910 32.600 -0.812 0.000 1.610 246 M HN -0.068 nan 8.290 nan 0.000 0.556 247 S N -0.418 114.856 115.700 -0.711 0.000 2.506 247 S HA 0.236 4.706 4.470 -0.000 0.000 0.230 247 S C -0.504 173.773 174.600 -0.538 0.000 1.066 247 S CA 0.548 58.326 58.200 -0.702 0.000 0.940 247 S CB 0.430 62.939 63.200 -1.152 0.000 0.818 247 S HN 0.386 nan 8.310 nan 0.000 0.518 248 Y N 2.374 122.753 120.300 0.131 0.000 2.391 248 Y HA 0.590 5.140 4.550 -0.000 0.000 0.341 248 Y C -0.088 175.925 175.900 0.188 0.000 0.965 248 Y CA -1.688 56.498 58.100 0.143 0.000 1.067 248 Y CB 1.119 39.592 38.460 0.022 0.000 1.199 248 Y HN 0.030 nan 8.280 nan 0.000 0.450 249 K N 0.874 121.413 120.400 0.232 0.000 2.444 249 K HA 0.676 4.996 4.320 -0.000 0.000 0.252 249 K C -1.535 175.002 176.600 -0.105 0.000 0.993 249 K CA -0.891 55.384 56.287 -0.019 0.000 0.847 249 K CB 1.642 34.114 32.500 -0.047 0.000 1.340 249 K HN 0.295 nan 8.250 nan 0.000 0.446 250 F N 2.032 121.968 119.950 -0.023 0.000 2.538 250 F HA 0.157 4.684 4.527 -0.000 0.000 0.371 250 F C 1.728 177.487 175.800 -0.068 0.000 1.087 250 F CA -0.056 57.915 58.000 -0.047 0.000 1.250 250 F CB 0.913 39.880 39.000 -0.054 0.000 1.110 250 F HN 0.626 nan 8.300 nan 0.000 0.570 251 K N 0.812 121.294 120.400 0.137 0.000 2.147 251 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 251 K C 0.589 177.175 176.600 -0.023 0.000 1.049 251 K CA 1.380 57.684 56.287 0.030 0.000 0.936 251 K CB 0.056 32.572 32.500 0.027 0.000 0.722 251 K HN 0.582 nan 8.250 nan 0.000 0.446 252 D N -0.719 119.690 120.400 0.015 0.000 2.395 252 D HA 0.140 4.780 4.640 -0.000 0.000 0.213 252 D C 0.075 176.340 176.300 -0.058 0.000 1.110 252 D CA 0.394 54.368 54.000 -0.043 0.000 0.835 252 D CB 0.931 41.708 40.800 -0.039 0.000 0.965 252 D HN 0.297 nan 8.370 nan 0.000 0.505 253 G N 1.240 110.032 108.800 -0.013 0.000 2.705 253 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.686 253 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.686 253 G C 0.617 175.531 174.900 0.024 0.000 1.285 253 G CA -0.615 44.479 45.100 -0.010 0.000 0.800 253 G HN -0.062 nan 8.290 nan 0.000 0.611 254 Q N 0.214 120.092 119.800 0.130 0.000 2.152 254 Q HA -0.131 4.208 4.340 -0.000 0.000 0.206 254 Q C 2.985 179.100 176.000 0.193 0.000 0.985 254 Q CA 2.095 58.040 55.803 0.238 0.000 0.863 254 Q CB -0.429 28.530 28.738 0.369 0.000 0.904 254 Q HN 0.677 nan 8.270 nan 0.000 0.422 255 S N 0.831 116.604 115.700 0.121 0.000 2.402 255 S HA -0.170 4.299 4.470 -0.000 0.000 0.233 255 S C 1.946 176.551 174.600 0.008 0.000 1.030 255 S CA 1.071 59.312 58.200 0.068 0.000 1.003 255 S CB -0.196 63.042 63.200 0.063 0.000 0.813 255 S HN 0.528 nan 8.310 nan 0.000 0.477 256 A N 0.488 123.289 122.820 -0.031 0.000 1.969 256 A HA -0.017 4.302 4.320 -0.000 0.000 0.218 256 A C 1.830 179.381 177.584 -0.055 0.000 1.169 256 A CA 1.065 53.062 52.037 -0.066 0.000 0.635 256 A CB -0.620 18.326 19.000 -0.091 0.000 0.810 256 A HN 0.505 nan 8.150 nan 0.000 0.445 257 F N 1.002 120.784 119.950 -0.280 0.000 2.128 257 F HA 0.078 4.605 4.527 -0.000 0.000 0.295 257 F C 2.480 178.388 175.800 0.179 0.000 1.100 257 F CA 0.770 58.632 58.000 -0.230 0.000 1.260 257 F CB -0.762 37.896 39.000 -0.570 0.000 1.009 257 F HN 0.230 nan 8.300 nan 0.000 0.476 258 A N 0.943 123.856 122.820 0.155 0.000 1.940 258 A HA -0.193 4.126 4.320 -0.000 0.000 0.219 258 A C 2.289 179.921 177.584 0.080 0.000 1.176 258 A CA 1.462 53.548 52.037 0.082 0.000 0.631 258 A CB -0.646 18.245 19.000 -0.181 0.000 0.814 258 A HN 0.294 nan 8.150 nan 0.000 0.446 259 R N -0.193 120.307 120.500 0.000 0.000 2.117 259 R HA -0.100 4.240 4.340 -0.000 0.000 0.243 259 R C 2.099 178.385 176.300 -0.023 0.000 1.143 259 R CA 1.260 57.364 56.100 0.007 0.000 0.968 259 R CB -0.681 29.593 30.300 -0.042 0.000 0.863 259 R HN 0.529 nan 8.270 nan 0.000 0.444 260 R N -0.429 119.938 120.500 -0.222 0.000 2.096 260 R HA -0.053 4.287 4.340 -0.000 0.000 0.235 260 R C 2.347 178.277 176.300 -0.617 0.000 1.127 260 R CA 1.037 56.773 56.100 -0.606 0.000 0.968 260 R CB -0.719 28.886 30.300 -1.159 0.000 0.861 260 R HN 0.267 nan 8.270 nan 0.000 0.440 261 F N -0.366 119.395 119.950 -0.316 0.000 2.146 261 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 261 F C 2.532 178.346 175.800 0.023 0.000 1.096 261 F CA 0.870 58.855 58.000 -0.026 0.000 1.275 261 F CB -0.482 38.539 39.000 0.034 0.000 1.008 261 F HN 0.140 nan 8.300 nan 0.000 0.480 262 W N 1.655 122.990 121.300 0.057 0.000 2.355 262 W HA -0.181 4.479 4.660 -0.000 0.000 0.309 262 W C 1.928 178.425 176.519 -0.037 0.000 1.206 262 W CA 1.562 58.895 57.345 -0.019 0.000 1.284 262 W CB -0.124 29.286 29.460 -0.084 0.000 1.145 262 W HN -0.006 nan 8.180 nan 0.000 0.502 263 E N 0.448 120.660 120.200 0.021 0.000 2.110 263 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 263 E C 1.797 178.328 176.600 -0.116 0.000 0.988 263 E CA 1.684 58.039 56.400 -0.074 0.000 0.804 263 E CB -0.715 28.964 29.700 -0.035 0.000 0.745 263 E HN 0.553 nan 8.360 nan 0.000 0.458 264 E N 0.598 120.751 120.200 -0.078 0.000 2.031 264 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 264 E C 2.021 178.587 176.600 -0.057 0.000 0.994 264 E CA 1.090 57.475 56.400 -0.024 0.000 0.800 264 E CB -0.048 29.699 29.700 0.078 0.000 0.752 264 E HN 0.166 nan 8.360 nan 0.000 0.447 265 A N 1.199 123.963 122.820 -0.093 0.000 1.908 265 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 265 A C 2.404 179.857 177.584 -0.219 0.000 1.181 265 A CA 1.957 53.911 52.037 -0.138 0.000 0.627 265 A CB -0.861 18.035 19.000 -0.174 0.000 0.818 265 A HN 0.433 nan 8.150 nan 0.000 0.445 266 A N -0.601 121.997 122.820 -0.371 0.000 1.933 266 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 266 A C 2.309 179.814 177.584 -0.132 0.000 1.175 266 A CA 1.755 53.604 52.037 -0.314 0.000 0.628 266 A CB -1.240 17.504 19.000 -0.426 0.000 0.814 266 A HN 0.801 nan 8.150 nan 0.000 0.444 267 G N -0.721 108.018 108.800 -0.103 0.000 2.598 267 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.215 267 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.215 267 G C 1.482 176.365 174.900 -0.029 0.000 1.131 267 G CA 1.637 46.708 45.100 -0.048 0.000 0.785 267 G HN 0.688 nan 8.290 nan 0.000 0.539 268 T N -2.944 111.591 114.554 -0.032 0.000 3.067 268 T HA 0.306 4.655 4.350 -0.000 0.000 0.261 268 T C 2.085 176.784 174.700 -0.001 0.000 1.110 268 T CA 1.020 63.113 62.100 -0.010 0.000 1.113 268 T CB -0.091 68.777 68.868 -0.000 0.000 0.917 268 T HN 1.183 nan 8.240 nan 0.000 0.499 269 G N 1.849 110.648 108.800 -0.003 0.000 2.168 269 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 269 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 269 G C 0.847 175.772 174.900 0.042 0.000 0.977 269 G CA 0.409 45.519 45.100 0.017 0.000 0.659 269 G HN 0.595 nan 8.290 nan 0.000 0.533 270 R N -1.122 119.407 120.500 0.048 0.000 2.468 270 R HA 0.389 4.728 4.340 -0.000 0.000 0.280 270 R C 0.415 176.802 176.300 0.146 0.000 0.963 270 R CA -0.342 55.818 56.100 0.099 0.000 1.083 270 R CB 0.451 30.805 30.300 0.090 0.000 1.200 270 R HN 0.331 nan 8.270 nan 0.000 0.541 271 L N 0.802 122.075 121.223 0.084 0.000 2.264 271 L HA 0.497 4.836 4.340 -0.000 0.000 0.289 271 L C -0.060 176.877 176.870 0.111 0.000 1.044 271 L CA -0.260 54.605 54.840 0.041 0.000 0.807 271 L CB 1.325 43.312 42.059 -0.121 0.000 1.192 271 L HN 0.015 nan 8.230 nan 0.000 0.425 272 G N 4.293 113.105 108.800 0.020 0.000 2.389 272 G HA2 0.558 4.518 3.960 -0.000 0.000 0.328 272 G HA3 0.558 4.518 3.960 -0.000 0.000 0.328 272 G C -1.749 173.045 174.900 -0.177 0.000 1.133 272 G CA -0.341 44.669 45.100 -0.150 0.000 0.891 272 G HN 0.749 nan 8.290 nan 0.000 0.485 273 Y N -0.996 119.199 120.300 -0.176 0.000 2.571 273 Y HA 0.718 5.268 4.550 -0.000 0.000 0.341 273 Y C -1.284 174.502 175.900 -0.191 0.000 1.076 273 Y CA -1.687 56.299 58.100 -0.189 0.000 1.029 273 Y CB 1.624 40.160 38.460 0.126 0.000 1.308 273 Y HN 0.463 nan 8.280 nan 0.000 0.461 274 V N 3.694 123.483 119.914 -0.208 0.000 2.569 274 V HA 0.468 4.588 4.120 -0.000 0.000 0.301 274 V C -0.950 174.947 176.094 -0.328 0.000 1.044 274 V CA -0.768 61.428 62.300 -0.173 0.000 0.874 274 V CB 1.106 32.789 31.823 -0.233 0.000 1.002 274 V HN 0.754 nan 8.190 nan 0.000 0.424 275 F N 1.298 121.267 119.950 0.032 0.000 2.457 275 F HA 0.722 5.249 4.527 -0.001 0.000 0.330 275 F C 1.414 177.172 175.800 -0.070 0.000 1.069 275 F CA 0.327 58.289 58.000 -0.063 0.000 1.009 275 F CB 1.393 40.339 39.000 -0.092 0.000 1.276 275 F HN 0.747 nan 8.300 nan 0.000 0.492 276 G N 0.161 109.015 108.800 0.090 0.000 2.249 276 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.273 276 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.273 276 G C -0.271 174.620 174.900 -0.014 0.000 1.036 276 G CA 0.172 45.282 45.100 0.017 0.000 0.824 276 G HN 0.856 nan 8.290 nan 0.000 0.504 277 C N 2.209 121.459 119.300 -0.083 0.000 3.075 277 C HA 0.550 5.010 4.460 -0.000 0.000 0.262 277 C C -1.717 173.205 174.990 -0.114 0.000 1.371 277 C CA -2.238 56.737 59.018 -0.072 0.000 1.594 277 C CB -0.050 27.622 27.740 -0.112 0.000 1.849 277 C HN 0.440 nan 8.230 nan 0.000 0.475 278 P HA 0.106 nan 4.420 nan 0.000 0.271 278 P C -0.075 177.232 177.300 0.011 0.000 1.226 278 P CA 0.623 63.684 63.100 -0.065 0.000 0.765 278 P CB 0.848 32.619 31.700 0.117 0.000 0.835 279 V N 5.544 125.455 119.914 -0.006 0.000 2.614 279 V HA 0.125 4.245 4.120 -0.000 0.000 0.291 279 V C 1.989 178.095 176.094 0.020 0.000 1.049 279 V CA 0.185 62.490 62.300 0.009 0.000 1.038 279 V CB 0.836 32.648 31.823 -0.018 0.000 0.980 279 V HN 0.651 nan 8.190 nan 0.000 0.481 280 R N 2.502 123.004 120.500 0.003 0.000 2.287 280 R HA 0.277 4.617 4.340 -0.000 0.000 0.197 280 R C 0.515 176.760 176.300 -0.092 0.000 0.900 280 R CA 0.515 56.604 56.100 -0.019 0.000 1.052 280 R CB 0.534 30.838 30.300 0.006 0.000 1.117 280 R HN 0.688 nan 8.270 nan 0.000 0.568 281 S N -0.267 115.370 115.700 -0.105 0.000 2.541 281 S HA 0.613 5.082 4.470 -0.000 0.000 0.271 281 S C -1.004 173.509 174.600 -0.145 0.000 1.133 281 S CA -0.779 57.317 58.200 -0.172 0.000 0.876 281 S CB 2.579 65.726 63.200 -0.088 0.000 1.105 281 S HN -0.043 nan 8.310 nan 0.000 0.470 282 V N 2.007 121.803 119.914 -0.197 0.000 2.482 282 V HA 0.616 4.735 4.120 -0.000 0.000 0.295 282 V C -0.943 175.216 176.094 0.108 0.000 1.026 282 V CA -0.603 61.695 62.300 -0.004 0.000 0.856 282 V CB 1.529 33.417 31.823 0.109 0.000 1.001 282 V HN 0.847 nan 8.190 nan 0.000 0.424 283 V N 4.173 124.150 119.914 0.104 0.000 2.407 283 V HA 0.350 4.469 4.120 -0.000 0.000 0.291 283 V C 0.176 176.338 176.094 0.112 0.000 1.018 283 V CA -0.871 61.499 62.300 0.117 0.000 0.842 283 V CB 1.699 33.566 31.823 0.073 0.000 0.996 283 V HN 0.934 nan 8.190 nan 0.000 0.426 284 N N 3.934 122.711 118.700 0.128 0.000 2.412 284 N HA 0.143 4.883 4.740 -0.000 0.000 0.258 284 N C -0.007 175.539 175.510 0.059 0.000 1.236 284 N CA 0.458 53.559 53.050 0.084 0.000 0.882 284 N CB 0.733 39.256 38.487 0.059 0.000 1.066 284 N HN 0.711 nan 8.380 nan 0.000 0.465 285 E N 1.284 121.514 120.200 0.050 0.000 2.450 285 E HA 0.364 4.714 4.350 -0.000 0.000 0.248 285 E C -0.522 176.096 176.600 0.031 0.000 0.930 285 E CA -1.026 55.398 56.400 0.039 0.000 0.854 285 E CB 1.016 30.741 29.700 0.041 0.000 1.355 285 E HN 0.309 nan 8.360 nan 0.000 0.402 286 R N 1.739 122.255 120.500 0.027 0.000 2.404 286 R HA -0.022 4.318 4.340 -0.000 0.000 0.315 286 R C -0.340 175.975 176.300 0.026 0.000 1.032 286 R CA 0.614 56.727 56.100 0.022 0.000 0.992 286 R CB -0.198 30.113 30.300 0.019 0.000 0.959 286 R HN 0.505 nan 8.270 nan 0.000 0.428 287 D N 0.682 121.096 120.400 0.024 0.000 3.039 287 D HA -0.237 4.403 4.640 -0.000 0.000 0.222 287 D C -1.134 175.187 176.300 0.036 0.000 1.179 287 D CA 1.717 55.734 54.000 0.027 0.000 0.880 287 D CB -0.501 40.315 40.800 0.026 0.000 1.115 287 D HN 0.649 nan 8.370 nan 0.000 0.416 288 A N -1.551 121.293 122.820 0.040 0.000 2.540 288 A HA 0.851 5.170 4.320 -0.000 0.000 0.291 288 A C -1.499 176.118 177.584 0.055 0.000 1.083 288 A CA 0.112 52.180 52.037 0.052 0.000 0.650 288 A CB 1.289 20.324 19.000 0.057 0.000 1.292 288 A HN 0.896 nan 8.150 nan 0.000 0.435 289 A N 0.095 122.956 122.820 0.067 0.000 2.475 289 A HA 0.853 5.172 4.320 -0.000 0.000 0.301 289 A C -0.583 177.053 177.584 0.086 0.000 1.059 289 A CA -0.474 51.606 52.037 0.073 0.000 0.710 289 A CB 1.366 20.408 19.000 0.069 0.000 1.288 289 A HN 1.090 nan 8.150 nan 0.000 0.408 290 R N 1.738 122.288 120.500 0.083 0.000 2.437 290 R HA 0.644 4.984 4.340 -0.000 0.000 0.310 290 R C -1.836 174.515 176.300 0.086 0.000 0.955 290 R CA -0.299 55.853 56.100 0.087 0.000 0.851 290 R CB 1.472 31.810 30.300 0.063 0.000 1.161 290 R HN 0.495 nan 8.270 nan 0.000 0.446 291 V N 3.787 123.773 119.914 0.120 0.000 2.417 291 V HA 0.422 4.541 4.120 -0.000 0.000 0.291 291 V C -0.344 175.850 176.094 0.166 0.000 1.024 291 V CA -0.524 61.847 62.300 0.120 0.000 0.861 291 V CB 1.979 33.871 31.823 0.114 0.000 0.985 291 V HN 0.833 nan 8.190 nan 0.000 0.436 292 T N 3.920 118.531 114.554 0.094 0.000 2.824 292 T HA 0.714 5.064 4.350 -0.000 0.000 0.282 292 T C 0.193 174.941 174.700 0.080 0.000 0.993 292 T CA -0.248 61.894 62.100 0.069 0.000 0.967 292 T CB 1.783 70.659 68.868 0.013 0.000 0.960 292 T HN 0.912 nan 8.240 nan 0.000 0.441 293 A N 2.382 125.269 122.820 0.111 0.000 2.296 293 A HA 0.413 4.733 4.320 -0.000 0.000 0.264 293 A C 1.502 179.117 177.584 0.052 0.000 1.097 293 A CA -0.378 51.716 52.037 0.095 0.000 0.811 293 A CB 0.287 19.370 19.000 0.138 0.000 1.072 293 A HN 0.949 nan 8.150 nan 0.000 0.495 294 R N -0.210 120.323 120.500 0.056 0.000 2.127 294 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 294 R C 0.659 176.980 176.300 0.037 0.000 1.134 294 R CA 1.743 57.872 56.100 0.049 0.000 0.975 294 R CB -0.201 30.140 30.300 0.069 0.000 0.865 294 R HN 0.903 nan 8.270 nan 0.000 0.447 295 D N -1.292 119.131 120.400 0.039 0.000 2.328 295 D HA 0.048 4.688 4.640 -0.000 0.000 0.226 295 D C 1.061 177.366 176.300 0.007 0.000 1.066 295 D CA 0.749 54.765 54.000 0.026 0.000 0.861 295 D CB 0.352 41.171 40.800 0.031 0.000 0.912 295 D HN 0.282 nan 8.370 nan 0.000 0.521 296 G N 0.202 109.003 108.800 0.002 0.000 2.195 296 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.246 296 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.246 296 G C 0.380 175.239 174.900 -0.068 0.000 0.984 296 G CA -0.137 44.949 45.100 -0.024 0.000 0.633 296 G HN 0.459 nan 8.290 nan 0.000 0.525 297 R N 1.122 121.572 120.500 -0.083 0.000 2.640 297 R HA 0.397 4.737 4.340 -0.000 0.000 0.270 297 R C 0.071 176.154 176.300 -0.363 0.000 1.024 297 R CA 0.661 56.612 56.100 -0.248 0.000 1.085 297 R CB 0.301 30.466 30.300 -0.226 0.000 0.963 297 R HN 0.521 nan 8.270 nan 0.000 0.426 298 E N 2.083 121.946 120.200 -0.561 0.000 2.238 298 E HA 0.398 4.748 4.350 -0.000 0.000 0.267 298 E C -1.195 174.993 176.600 -0.686 0.000 0.887 298 E CA -0.545 55.602 56.400 -0.421 0.000 0.769 298 E CB 1.589 31.178 29.700 -0.185 0.000 1.187 298 E HN 0.266 nan 8.360 nan 0.000 0.416 299 F N 0.479 120.445 119.950 0.028 0.000 2.588 299 F HA 0.551 5.077 4.527 -0.001 0.000 0.310 299 F C -0.536 175.310 175.800 0.076 0.000 1.082 299 F CA -1.030 57.006 58.000 0.060 0.000 0.929 299 F CB 1.587 40.585 39.000 -0.003 0.000 1.254 299 F HN 0.112 nan 8.300 nan 0.000 0.455 300 V N 1.621 121.732 119.914 0.328 0.000 2.789 300 V HA 0.951 5.071 4.120 -0.000 0.000 0.311 300 V C -0.777 175.482 176.094 0.275 0.000 1.073 300 V CA -0.673 61.763 62.300 0.227 0.000 0.921 300 V CB 1.762 33.675 31.823 0.150 0.000 1.009 300 V HN 1.042 nan 8.190 nan 0.000 0.426 301 A N 3.347 126.283 122.820 0.192 0.000 2.612 301 A HA 0.619 4.938 4.320 -0.000 0.000 0.293 301 A C 0.386 178.040 177.584 0.116 0.000 1.075 301 A CA -0.625 51.527 52.037 0.191 0.000 0.680 301 A CB 1.564 20.676 19.000 0.187 0.000 1.279 301 A HN 0.664 nan 8.150 nan 0.000 0.411 302 K N -0.134 120.327 120.400 0.103 0.000 2.057 302 K HA -0.051 4.269 4.320 -0.000 0.000 0.207 302 K C 0.198 176.820 176.600 0.038 0.000 1.049 302 K CA 1.061 57.388 56.287 0.067 0.000 0.931 302 K CB -0.050 32.492 32.500 0.070 0.000 0.714 302 K HN 0.472 nan 8.250 nan 0.000 0.440 303 R N 0.258 120.769 120.500 0.018 0.000 2.744 303 R HA 0.422 4.762 4.340 -0.000 0.000 0.279 303 R C -1.024 175.263 176.300 -0.022 0.000 0.977 303 R CA -0.747 55.343 56.100 -0.015 0.000 0.906 303 R CB 2.167 32.430 30.300 -0.061 0.000 1.197 303 R HN -0.189 nan 8.270 nan 0.000 0.463 304 V N 2.074 121.966 119.914 -0.036 0.000 2.487 304 V HA 0.384 4.504 4.120 -0.000 0.000 0.298 304 V C -0.252 175.785 176.094 -0.095 0.000 1.028 304 V CA -0.883 61.384 62.300 -0.056 0.000 0.860 304 V CB 2.248 34.048 31.823 -0.037 0.000 0.991 304 V HN 0.395 nan 8.190 nan 0.000 0.427 305 V N 4.284 124.143 119.914 -0.092 0.000 2.333 305 V HA 0.269 4.389 4.120 -0.000 0.000 0.274 305 V C 0.074 176.119 176.094 -0.082 0.000 1.028 305 V CA -0.373 61.876 62.300 -0.086 0.000 0.851 305 V CB 1.271 33.058 31.823 -0.060 0.000 1.000 305 V HN 1.019 nan 8.190 nan 0.000 0.456 306 C N 5.267 124.496 119.300 -0.118 0.000 2.255 306 C HA 0.585 5.045 4.460 -0.000 0.000 0.326 306 C C 1.488 176.554 174.990 0.125 0.000 1.258 306 C CA 0.240 59.236 59.018 -0.037 0.000 1.676 306 C CB 0.301 27.961 27.740 -0.134 0.000 2.314 306 C HN 1.004 nan 8.230 nan 0.000 0.509 307 T N 3.479 118.098 114.554 0.109 0.000 3.129 307 T HA 0.306 4.655 4.350 -0.000 0.000 0.267 307 T C 0.421 175.200 174.700 0.131 0.000 1.018 307 T CA -0.198 61.963 62.100 0.102 0.000 0.903 307 T CB -0.450 68.420 68.868 0.003 0.000 1.067 307 T HN 0.659 nan 8.240 nan 0.000 0.549 308 I N 3.200 123.902 120.570 0.219 0.000 2.845 308 I HA 0.144 4.314 4.170 -0.000 0.000 0.296 308 I C -2.024 174.267 176.117 0.291 0.000 1.216 308 I CA -1.757 59.691 61.300 0.248 0.000 1.438 308 I CB 0.352 38.532 38.000 0.299 0.000 1.342 308 I HN 0.099 nan 8.210 nan 0.000 0.577 309 P HA -0.037 nan 4.420 nan 0.000 0.269 309 P C 0.538 178.055 177.300 0.361 0.000 1.215 309 P CA -0.362 62.886 63.100 0.246 0.000 0.780 309 P CB 0.604 32.454 31.700 0.250 0.000 0.898 310 L N 3.215 124.710 121.223 0.453 0.000 2.010 310 L HA -0.280 4.060 4.340 -0.000 0.000 0.219 310 L C 1.426 178.489 176.870 0.323 0.000 1.077 310 L CA 2.214 57.339 54.840 0.475 0.000 0.773 310 L CB -1.283 41.116 42.059 0.565 0.000 0.892 310 L HN 0.308 nan 8.230 nan 0.000 0.436 311 N N -1.360 117.525 118.700 0.308 0.000 2.609 311 N HA -0.054 4.685 4.740 -0.000 0.000 0.190 311 N C 1.202 176.805 175.510 0.156 0.000 1.157 311 N CA 1.006 54.157 53.050 0.169 0.000 0.918 311 N CB 0.107 38.633 38.487 0.064 0.000 0.978 311 N HN 0.357 nan 8.380 nan 0.000 0.448 312 V N -0.603 119.436 119.914 0.209 0.000 3.612 312 V HA 0.147 4.267 4.120 -0.000 0.000 0.268 312 V C 1.932 178.155 176.094 0.215 0.000 1.365 312 V CA 0.054 62.475 62.300 0.201 0.000 1.044 312 V CB 0.157 32.126 31.823 0.244 0.000 0.820 312 V HN 0.159 nan 8.190 nan 0.000 0.444 313 L N 1.428 122.800 121.223 0.247 0.000 2.129 313 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 313 L C 2.594 179.621 176.870 0.261 0.000 1.087 313 L CA 2.066 57.082 54.840 0.293 0.000 0.757 313 L CB -0.410 41.788 42.059 0.233 0.000 0.896 313 L HN 0.596 nan 8.230 nan 0.000 0.434 314 S N -1.950 113.852 115.700 0.169 0.000 2.555 314 S HA -0.115 4.355 4.470 -0.000 0.000 0.230 314 S C 1.787 176.453 174.600 0.110 0.000 0.978 314 S CA 0.946 59.225 58.200 0.130 0.000 0.934 314 S CB -0.637 62.614 63.200 0.085 0.000 0.766 314 S HN 0.579 nan 8.310 nan 0.000 0.533 315 T N -0.476 114.146 114.554 0.113 0.000 3.113 315 T HA 0.329 4.679 4.350 -0.000 0.000 0.256 315 T C 0.599 175.326 174.700 0.045 0.000 1.131 315 T CA -0.245 61.901 62.100 0.077 0.000 1.074 315 T CB -0.426 68.492 68.868 0.083 0.000 0.944 315 T HN 0.283 nan 8.240 nan 0.000 0.516 316 I N 2.113 122.702 120.570 0.032 0.000 2.437 316 I HA 0.374 4.544 4.170 -0.000 0.000 0.298 316 I C -0.033 175.940 176.117 -0.241 0.000 0.984 316 I CA -1.004 60.196 61.300 -0.167 0.000 1.214 316 I CB 1.445 39.221 38.000 -0.373 0.000 1.365 316 I HN 0.286 nan 8.210 nan 0.000 0.469 317 Q N 4.892 124.524 119.800 -0.280 0.000 2.296 317 Q HA 0.510 4.850 4.340 -0.000 0.000 0.257 317 Q C -1.470 174.335 176.000 -0.325 0.000 0.942 317 Q CA -0.097 55.602 55.803 -0.173 0.000 0.939 317 Q CB 1.086 29.784 28.738 -0.067 0.000 1.198 317 Q HN 0.323 nan 8.270 nan 0.000 0.429 318 F N 0.686 120.695 119.950 0.099 0.000 2.508 318 F HA 0.464 4.991 4.527 -0.000 0.000 0.325 318 F C 0.232 176.120 175.800 0.145 0.000 1.090 318 F CA -0.789 57.293 58.000 0.137 0.000 0.945 318 F CB 2.257 41.349 39.000 0.155 0.000 1.156 318 F HN 0.364 nan 8.300 nan 0.000 0.463 319 S N 4.764 120.673 115.700 0.348 0.000 2.733 319 S HA 0.601 5.070 4.470 -0.000 0.000 0.294 319 S C -2.922 171.815 174.600 0.229 0.000 1.149 319 S CA -1.615 56.727 58.200 0.236 0.000 1.034 319 S CB 1.241 64.525 63.200 0.139 0.000 1.015 319 S HN 0.272 nan 8.310 nan 0.000 0.486 320 P HA 0.290 nan 4.420 nan 0.000 0.273 320 P C -0.226 177.242 177.300 0.280 0.000 1.250 320 P CA -0.361 62.829 63.100 0.150 0.000 0.793 320 P CB 0.261 31.979 31.700 0.029 0.000 1.011 321 A N 1.385 124.326 122.820 0.203 0.000 2.520 321 A HA 0.158 4.478 4.320 -0.000 0.000 0.235 321 A C 0.625 178.344 177.584 0.225 0.000 1.065 321 A CA -0.141 52.017 52.037 0.201 0.000 0.764 321 A CB -0.835 18.237 19.000 0.119 0.000 1.002 321 A HN 0.496 nan 8.150 nan 0.000 0.502 322 L N 1.758 123.040 121.223 0.098 0.000 2.473 322 L HA 0.211 4.550 4.340 -0.000 0.000 0.268 322 L C 1.417 178.270 176.870 -0.029 0.000 1.215 322 L CA -0.150 54.645 54.840 -0.075 0.000 0.823 322 L CB 0.422 42.269 42.059 -0.353 0.000 1.099 322 L HN 0.967 nan 8.230 nan 0.000 0.483 323 S N 0.106 115.771 115.700 -0.058 0.000 2.587 323 S HA 0.004 4.474 4.470 -0.000 0.000 0.260 323 S C 1.089 175.649 174.600 -0.067 0.000 1.353 323 S CA -0.172 58.001 58.200 -0.045 0.000 0.995 323 S CB 0.876 64.043 63.200 -0.054 0.000 0.912 323 S HN 0.655 nan 8.310 nan 0.000 0.568 324 T N 1.678 116.207 114.554 -0.042 0.000 2.720 324 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 324 T C 1.598 176.267 174.700 -0.051 0.000 1.037 324 T CA 2.113 64.192 62.100 -0.036 0.000 1.144 324 T CB -0.600 68.257 68.868 -0.020 0.000 0.864 324 T HN 0.766 nan 8.240 nan 0.000 0.444 325 E N 0.726 120.887 120.200 -0.065 0.000 2.072 325 E HA 0.004 4.353 4.350 -0.000 0.000 0.191 325 E C 2.439 178.968 176.600 -0.117 0.000 0.985 325 E CA 0.743 57.099 56.400 -0.073 0.000 0.801 325 E CB -0.125 29.535 29.700 -0.068 0.000 0.750 325 E HN 0.310 nan 8.360 nan 0.000 0.452 326 R N 0.321 120.708 120.500 -0.187 0.000 2.081 326 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 326 R C 2.179 178.371 176.300 -0.179 0.000 1.131 326 R CA 1.182 57.117 56.100 -0.275 0.000 0.960 326 R CB -0.326 29.697 30.300 -0.462 0.000 0.856 326 R HN 0.207 nan 8.270 nan 0.000 0.436 327 I N 0.694 121.191 120.570 -0.121 0.000 2.163 327 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 327 I C 2.163 178.260 176.117 -0.034 0.000 1.085 327 I CA 1.518 62.781 61.300 -0.062 0.000 1.347 327 I CB -1.285 36.696 38.000 -0.032 0.000 1.044 327 I HN 0.098 nan 8.210 nan 0.000 0.408 328 S N 1.448 117.130 115.700 -0.030 0.000 2.368 328 S HA -0.106 4.364 4.470 -0.000 0.000 0.225 328 S C 2.328 176.934 174.600 0.009 0.000 1.030 328 S CA 1.247 59.443 58.200 -0.006 0.000 0.999 328 S CB -0.523 62.677 63.200 -0.001 0.000 0.844 328 S HN 0.545 nan 8.310 nan 0.000 0.459 329 A N 3.117 125.939 122.820 0.003 0.000 1.865 329 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 329 A C 2.324 179.948 177.584 0.067 0.000 1.191 329 A CA 2.124 54.190 52.037 0.047 0.000 0.623 329 A CB -0.881 18.132 19.000 0.021 0.000 0.826 329 A HN 0.688 nan 8.150 nan 0.000 0.444 330 M N -1.754 117.863 119.600 0.029 0.000 2.319 330 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 330 M C 1.748 178.074 176.300 0.045 0.000 1.068 330 M CA 1.745 57.078 55.300 0.054 0.000 1.118 330 M CB -0.514 32.107 32.600 0.036 0.000 1.395 330 M HN 0.320 nan 8.290 nan 0.000 0.435 331 Q N 1.318 121.135 119.800 0.027 0.000 2.083 331 Q HA 0.039 4.379 4.340 -0.000 0.000 0.198 331 Q C 2.470 178.480 176.000 0.015 0.000 0.969 331 Q CA 1.820 57.635 55.803 0.020 0.000 0.838 331 Q CB -0.566 28.180 28.738 0.014 0.000 0.900 331 Q HN 0.734 nan 8.270 nan 0.000 0.436 332 A N 0.972 123.805 122.820 0.021 0.000 1.902 332 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 332 A C 1.190 178.778 177.584 0.007 0.000 1.181 332 A CA 1.450 53.496 52.037 0.016 0.000 0.623 332 A CB -0.959 18.058 19.000 0.029 0.000 0.818 332 A HN 0.476 nan 8.150 nan 0.000 0.443 333 G N -0.841 107.978 108.800 0.032 0.000 2.757 333 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 333 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 333 G C -0.118 174.792 174.900 0.016 0.000 1.452 333 G CA -0.035 45.070 45.100 0.009 0.000 0.922 333 G HN 1.513 nan 8.290 nan 0.000 0.588 334 H N -0.114 118.981 119.070 0.041 0.000 2.607 334 H HA 0.465 5.021 4.556 -0.000 0.000 0.367 334 H C 1.564 176.821 175.328 -0.117 0.000 1.181 334 H CA 0.022 56.011 56.048 -0.100 0.000 1.402 334 H CB 1.382 31.022 29.762 -0.203 0.000 1.474 334 H HN 1.254 nan 8.280 nan 0.000 0.596 335 V N -0.242 119.676 119.914 0.008 0.000 3.647 335 V HA 0.095 4.215 4.120 -0.000 0.000 0.279 335 V C 0.938 176.972 176.094 -0.101 0.000 1.314 335 V CA 0.217 62.467 62.300 -0.084 0.000 1.125 335 V CB -0.148 31.625 31.823 -0.083 0.000 0.907 335 V HN 0.614 nan 8.190 nan 0.000 0.434 336 S N 2.203 117.925 115.700 0.037 0.000 2.443 336 S HA 0.376 4.846 4.470 -0.000 0.000 0.284 336 S C 0.373 174.828 174.600 -0.242 0.000 1.206 336 S CA -0.200 57.846 58.200 -0.258 0.000 1.074 336 S CB 0.025 62.789 63.200 -0.726 0.000 0.963 336 S HN 0.471 nan 8.310 nan 0.000 0.501 337 M N 4.668 124.135 119.600 -0.221 0.000 2.959 337 M HA 0.195 4.675 4.480 -0.000 0.000 0.337 337 M C 0.129 176.445 176.300 0.026 0.000 1.220 337 M CA -0.505 54.708 55.300 -0.145 0.000 0.893 337 M CB -0.632 31.785 32.600 -0.304 0.000 1.322 337 M HN 0.667 nan 8.290 nan 0.000 0.519 338 C N 2.168 121.432 119.300 -0.061 0.000 2.648 338 C HA 0.337 4.797 4.460 -0.000 0.000 0.415 338 C C 0.770 175.935 174.990 0.292 0.000 1.366 338 C CA 0.668 59.754 59.018 0.113 0.000 1.756 338 C CB -0.327 27.428 27.740 0.024 0.000 2.549 338 C HN 0.600 nan 8.230 nan 0.000 0.597 339 T N 6.625 121.347 114.554 0.279 0.000 2.749 339 T HA 0.311 4.661 4.350 -0.000 0.000 0.287 339 T C -0.410 174.403 174.700 0.188 0.000 0.970 339 T CA -0.136 62.072 62.100 0.181 0.000 0.980 339 T CB 0.570 69.412 68.868 -0.043 0.000 0.924 339 T HN 0.779 nan 8.240 nan 0.000 0.456 340 K N 3.609 124.117 120.400 0.180 0.000 2.450 340 K HA 0.605 4.925 4.320 -0.000 0.000 0.257 340 K C -1.519 175.033 176.600 -0.079 0.000 0.953 340 K CA -0.574 55.721 56.287 0.014 0.000 0.844 340 K CB 0.966 33.571 32.500 0.176 0.000 1.103 340 K HN 0.343 nan 8.250 nan 0.000 0.429 341 V N 4.917 124.711 119.914 -0.199 0.000 2.487 341 V HA 0.302 4.422 4.120 -0.000 0.000 0.298 341 V C -0.525 175.492 176.094 -0.127 0.000 1.028 341 V CA -0.926 61.325 62.300 -0.083 0.000 0.860 341 V CB 1.508 33.273 31.823 -0.097 0.000 0.991 341 V HN 0.781 nan 8.190 nan 0.000 0.427 342 H N 3.156 122.377 119.070 0.252 0.000 2.487 342 H HA 0.737 5.293 4.556 -0.000 0.000 0.333 342 H C -0.005 175.496 175.328 0.287 0.000 1.114 342 H CA -0.224 56.029 56.048 0.341 0.000 1.310 342 H CB 2.037 32.108 29.762 0.514 0.000 1.462 342 H HN 0.756 nan 8.280 nan 0.000 0.516 343 A N 3.050 126.106 122.820 0.393 0.000 2.357 343 A HA 0.229 4.548 4.320 -0.000 0.000 0.295 343 A C -0.127 177.600 177.584 0.238 0.000 1.121 343 A CA -0.747 51.443 52.037 0.255 0.000 0.742 343 A CB 1.052 20.125 19.000 0.122 0.000 1.181 343 A HN 0.785 nan 8.150 nan 0.000 0.454 344 E N 2.203 122.539 120.200 0.227 0.000 2.152 344 E HA 0.457 4.807 4.350 -0.000 0.000 0.285 344 E C -0.314 176.332 176.600 0.076 0.000 1.043 344 E CA -0.374 56.114 56.400 0.146 0.000 0.839 344 E CB 0.754 30.541 29.700 0.145 0.000 1.069 344 E HN 0.699 nan 8.360 nan 0.000 0.399 345 V N 1.756 121.660 119.914 -0.017 0.000 2.919 345 V HA 0.404 4.524 4.120 -0.000 0.000 0.316 345 V C 0.151 176.243 176.094 -0.003 0.000 1.077 345 V CA -0.668 61.598 62.300 -0.057 0.000 0.977 345 V CB 1.891 33.445 31.823 -0.449 0.000 1.039 345 V HN 0.733 nan 8.190 nan 0.000 0.441 346 D N 0.393 120.837 120.400 0.073 0.000 2.328 346 D HA 0.054 4.694 4.640 -0.000 0.000 0.221 346 D C 0.305 176.641 176.300 0.060 0.000 1.072 346 D CA 0.094 54.134 54.000 0.068 0.000 0.850 346 D CB -0.345 40.508 40.800 0.087 0.000 0.922 346 D HN 0.512 nan 8.370 nan 0.000 0.516 347 N N 1.482 120.210 118.700 0.046 0.000 2.500 347 N HA 0.082 4.822 4.740 -0.000 0.000 0.236 347 N C 0.580 176.093 175.510 0.006 0.000 1.022 347 N CA -0.186 52.888 53.050 0.040 0.000 0.935 347 N CB 0.931 39.460 38.487 0.069 0.000 1.147 347 N HN 0.015 nan 8.380 nan 0.000 0.512 348 K N 1.383 121.796 120.400 0.022 0.000 2.209 348 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 348 K C 0.128 176.752 176.600 0.039 0.000 1.048 348 K CA 0.899 57.201 56.287 0.025 0.000 0.940 348 K CB 0.382 32.899 32.500 0.029 0.000 0.729 348 K HN 0.468 nan 8.250 nan 0.000 0.451 349 D N 0.496 120.922 120.400 0.043 0.000 2.363 349 D HA -0.018 4.622 4.640 -0.000 0.000 0.226 349 D C 1.259 177.607 176.300 0.079 0.000 1.020 349 D CA 0.754 54.789 54.000 0.059 0.000 0.892 349 D CB 0.152 40.984 40.800 0.053 0.000 0.900 349 D HN 0.224 nan 8.370 nan 0.000 0.531 350 M N -0.252 119.382 119.600 0.057 0.000 2.495 350 M HA 0.067 4.547 4.480 -0.000 0.000 0.237 350 M C 1.708 178.115 176.300 0.179 0.000 1.131 350 M CA -0.091 55.264 55.300 0.091 0.000 1.032 350 M CB 0.409 32.941 32.600 -0.114 0.000 1.513 350 M HN -0.214 nan 8.290 nan 0.000 0.488 351 R N 1.590 122.176 120.500 0.144 0.000 2.139 351 R HA -0.130 4.210 4.340 -0.000 0.000 0.243 351 R C 1.582 178.044 176.300 0.271 0.000 1.145 351 R CA 2.134 58.335 56.100 0.168 0.000 0.976 351 R CB -0.434 29.944 30.300 0.129 0.000 0.866 351 R HN 0.374 nan 8.270 nan 0.000 0.449 352 S N -2.280 113.617 115.700 0.328 0.000 2.602 352 S HA 0.136 4.606 4.470 -0.000 0.000 0.240 352 S C -0.226 174.690 174.600 0.526 0.000 0.992 352 S CA -0.912 57.574 58.200 0.477 0.000 0.971 352 S CB -0.374 63.076 63.200 0.417 0.000 0.855 352 S HN 0.407 nan 8.310 nan 0.000 0.481 353 W N 3.395 124.841 121.300 0.243 0.000 2.376 353 W HA 0.591 5.250 4.660 -0.001 0.000 0.322 353 W C -0.227 176.510 176.519 0.363 0.000 1.160 353 W CA -0.162 57.322 57.345 0.232 0.000 1.218 353 W CB 1.242 30.780 29.460 0.129 0.000 1.205 353 W HN 0.193 nan 8.180 nan 0.000 0.559 354 T N 2.755 117.111 114.554 -0.329 0.000 2.916 354 T HA 0.880 5.230 4.350 -0.000 0.000 0.292 354 T C -0.478 173.432 174.700 -1.317 0.000 1.055 354 T CA -0.680 61.057 62.100 -0.604 0.000 1.009 354 T CB 1.619 70.522 68.868 0.057 0.000 1.118 354 T HN 0.975 nan 8.240 nan 0.000 0.497 355 G N 0.558 108.711 108.800 -1.079 0.000 2.759 355 G HA2 0.632 4.592 3.960 -0.000 0.000 0.297 355 G HA3 0.632 4.592 3.960 -0.000 0.000 0.297 355 G C -1.683 173.116 174.900 -0.168 0.000 1.434 355 G CA -0.832 43.885 45.100 -0.639 0.000 0.980 355 G HN 0.903 nan 8.290 nan 0.000 0.531 356 I N 1.080 121.632 120.570 -0.030 0.000 2.465 356 I HA 0.627 4.797 4.170 -0.000 0.000 0.291 356 I C 0.007 176.173 176.117 0.083 0.000 1.014 356 I CA -1.003 60.361 61.300 0.106 0.000 1.093 356 I CB 2.276 40.432 38.000 0.261 0.000 1.267 356 I HN 0.634 nan 8.210 nan 0.000 0.431 357 A N 6.722 129.610 122.820 0.112 0.000 2.363 357 A HA 0.689 5.009 4.320 -0.000 0.000 0.296 357 A C -1.646 175.905 177.584 -0.055 0.000 1.237 357 A CA -0.347 51.693 52.037 0.004 0.000 0.773 357 A CB 0.660 19.581 19.000 -0.131 0.000 1.153 357 A HN 0.651 nan 8.150 nan 0.000 0.473 358 Y N 4.583 124.841 120.300 -0.071 0.000 2.482 358 Y HA 0.590 5.140 4.550 0.000 0.000 0.334 358 Y C -2.477 173.512 175.900 0.148 0.000 1.091 358 Y CA -1.463 56.629 58.100 -0.013 0.000 1.027 358 Y CB 2.953 41.437 38.460 0.040 0.000 1.306 358 Y HN 0.439 nan 8.280 nan 0.000 0.446 359 P HA 0.062 nan 4.420 nan 0.000 0.267 359 P C 0.789 177.878 177.300 -0.353 0.000 1.289 359 P CA 0.233 62.774 63.100 -0.932 0.000 0.866 359 P CB -0.231 30.855 31.700 -1.023 0.000 1.309 360 F N -0.862 118.974 119.950 -0.189 0.000 2.502 360 F HA 0.190 4.716 4.527 -0.001 0.000 0.298 360 F C 0.475 176.240 175.800 -0.059 0.000 1.111 360 F CA -0.268 57.669 58.000 -0.106 0.000 1.445 360 F CB -1.102 37.855 39.000 -0.072 0.000 1.081 360 F HN -0.218 nan 8.300 nan 0.000 0.558 361 N N 0.787 119.038 118.700 -0.749 0.000 2.466 361 N HA 0.237 4.976 4.740 -0.000 0.000 0.294 361 N C 0.302 175.679 175.510 -0.222 0.000 1.129 361 N CA -0.652 52.099 53.050 -0.498 0.000 0.931 361 N CB 1.392 39.462 38.487 -0.696 0.000 1.193 361 N HN 0.042 nan 8.380 nan 0.000 0.500 362 K N 0.742 121.062 120.400 -0.134 0.000 2.418 362 K HA 0.203 4.522 4.320 -0.000 0.000 0.195 362 K C -0.247 176.319 176.600 -0.057 0.000 1.035 362 K CA 0.603 56.835 56.287 -0.092 0.000 1.003 362 K CB 0.157 32.590 32.500 -0.112 0.000 0.793 362 K HN 0.357 nan 8.250 nan 0.000 0.494 363 L N 0.650 121.850 121.223 -0.038 0.000 2.356 363 L HA 0.221 4.560 4.340 -0.000 0.000 0.277 363 L C 0.651 177.570 176.870 0.082 0.000 0.996 363 L CA -0.861 54.008 54.840 0.049 0.000 0.822 363 L CB 1.720 43.810 42.059 0.051 0.000 1.256 363 L HN 0.158 nan 8.230 nan 0.000 0.413 364 C N 0.981 120.395 119.300 0.190 0.000 3.403 364 C HA 0.344 4.804 4.460 -0.000 0.000 0.317 364 C C 0.002 175.201 174.990 0.349 0.000 1.346 364 C CA -0.543 58.609 59.018 0.224 0.000 1.743 364 C CB -0.712 27.200 27.740 0.286 0.000 2.308 364 C HN 0.689 nan 8.230 nan 0.000 0.675 365 Y N 1.204 121.663 120.300 0.265 0.000 2.401 365 Y HA 0.659 5.209 4.550 -0.001 0.000 0.330 365 Y C -0.569 175.580 175.900 0.414 0.000 1.071 365 Y CA -0.036 58.254 58.100 0.315 0.000 1.049 365 Y CB 1.311 39.946 38.460 0.292 0.000 1.239 365 Y HN 0.454 nan 8.280 nan 0.000 0.437 366 A N 6.144 129.144 122.820 0.300 0.000 2.572 366 A HA 0.870 5.190 4.320 -0.000 0.000 0.295 366 A C -1.749 176.006 177.584 0.284 0.000 1.072 366 A CA -0.641 51.648 52.037 0.421 0.000 0.691 366 A CB 1.354 20.680 19.000 0.544 0.000 1.291 366 A HN 0.932 nan 8.150 nan 0.000 0.404 367 I N -0.869 119.934 120.570 0.387 0.000 2.686 367 I HA 0.800 4.970 4.170 -0.000 0.000 0.295 367 I C 0.242 176.547 176.117 0.314 0.000 1.114 367 I CA -0.950 60.539 61.300 0.316 0.000 1.038 367 I CB 2.160 40.280 38.000 0.200 0.000 1.238 367 I HN 0.802 nan 8.210 nan 0.000 0.420 368 G N 2.462 111.493 108.800 0.385 0.000 2.299 368 G HA2 0.162 4.122 3.960 -0.000 0.000 0.256 368 G HA3 0.162 4.122 3.960 -0.000 0.000 0.256 368 G C -0.211 174.731 174.900 0.071 0.000 1.259 368 G CA 0.157 45.381 45.100 0.208 0.000 0.943 368 G HN 0.950 nan 8.290 nan 0.000 0.479 369 D N 0.581 120.976 120.400 -0.009 0.000 2.500 369 D HA 0.361 5.001 4.640 -0.000 0.000 0.218 369 D C 0.960 177.377 176.300 0.196 0.000 1.140 369 D CA 0.833 54.852 54.000 0.032 0.000 0.830 369 D CB 0.537 41.330 40.800 -0.012 0.000 1.055 369 D HN 0.810 nan 8.370 nan 0.000 0.512 370 G N -1.384 107.532 108.800 0.193 0.000 2.313 370 G HA2 0.370 4.329 3.960 -0.000 0.000 0.296 370 G HA3 0.370 4.329 3.960 -0.000 0.000 0.296 370 G C -1.312 173.649 174.900 0.102 0.000 1.356 370 G CA -0.669 44.573 45.100 0.236 0.000 0.833 370 G HN -0.089 nan 8.290 nan 0.000 0.552 371 T N 0.982 115.563 114.554 0.045 0.000 2.879 371 T HA 0.657 5.007 4.350 -0.000 0.000 0.290 371 T C 0.526 175.126 174.700 -0.167 0.000 0.993 371 T CA 0.108 62.176 62.100 -0.054 0.000 0.975 371 T CB 1.362 70.238 68.868 0.013 0.000 0.981 371 T HN 1.123 nan 8.240 nan 0.000 0.439 372 T N 1.284 115.652 114.554 -0.311 0.000 2.828 372 T HA 0.276 4.626 4.350 -0.000 0.000 0.290 372 T C -1.657 173.001 174.700 -0.071 0.000 1.019 372 T CA -1.529 60.375 62.100 -0.327 0.000 1.031 372 T CB 0.438 69.098 68.868 -0.346 0.000 1.001 372 T HN 0.131 nan 8.240 nan 0.000 0.531 373 P HA -0.076 nan 4.420 nan 0.000 0.216 373 P C 1.547 178.850 177.300 0.006 0.000 1.150 373 P CA 1.506 64.621 63.100 0.023 0.000 0.843 373 P CB -0.336 31.389 31.700 0.042 0.000 0.787 374 A N -1.105 121.712 122.820 -0.006 0.000 2.178 374 A HA 0.218 4.538 4.320 -0.000 0.000 0.218 374 A C 1.747 179.326 177.584 -0.007 0.000 1.157 374 A CA 1.339 53.373 52.037 -0.005 0.000 0.689 374 A CB -1.415 17.582 19.000 -0.004 0.000 0.787 374 A HN 0.293 nan 8.150 nan 0.000 0.465 375 G N -1.270 107.520 108.800 -0.016 0.000 2.131 375 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.223 375 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.223 375 G C -0.285 174.605 174.900 -0.016 0.000 0.990 375 G CA 0.036 45.131 45.100 -0.009 0.000 0.671 375 G HN 0.507 nan 8.290 nan 0.000 0.521 376 N N 0.747 119.424 118.700 -0.038 0.000 2.473 376 N HA 0.458 5.198 4.740 -0.000 0.000 0.291 376 N C 0.145 175.620 175.510 -0.058 0.000 1.083 376 N CA -0.066 52.962 53.050 -0.036 0.000 0.951 376 N CB 1.111 39.581 38.487 -0.028 0.000 1.164 376 N HN 0.094 nan 8.380 nan 0.000 0.480 377 T N 1.172 115.704 114.554 -0.037 0.000 2.853 377 T HA -0.037 4.313 4.350 -0.000 0.000 0.298 377 T C 0.266 174.957 174.700 -0.015 0.000 0.978 377 T CA 0.216 62.298 62.100 -0.030 0.000 1.152 377 T CB -0.100 68.739 68.868 -0.048 0.000 0.914 377 T HN 0.332 nan 8.240 nan 0.000 0.539 378 H N 4.191 123.192 119.070 -0.114 0.000 2.489 378 H HA 0.482 5.037 4.556 -0.000 0.000 0.322 378 H C -0.941 174.413 175.328 0.043 0.000 1.091 378 H CA -0.914 55.094 56.048 -0.066 0.000 1.291 378 H CB 0.524 30.180 29.762 -0.178 0.000 1.436 378 H HN 0.420 nan 8.280 nan 0.000 0.480 379 L N 5.844 126.977 121.223 -0.150 0.000 2.329 379 L HA 0.346 4.686 4.340 -0.000 0.000 0.279 379 L C -0.340 176.427 176.870 -0.172 0.000 1.014 379 L CA -1.066 53.667 54.840 -0.177 0.000 0.814 379 L CB 2.092 44.082 42.059 -0.114 0.000 1.257 379 L HN 0.363 nan 8.230 nan 0.000 0.424 380 V N 2.633 122.482 119.914 -0.109 0.000 2.435 380 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 380 V C -0.627 175.446 176.094 -0.035 0.000 1.030 380 V CA -0.250 62.017 62.300 -0.054 0.000 0.881 380 V CB 1.397 33.245 31.823 0.041 0.000 0.983 380 V HN 0.929 nan 8.190 nan 0.000 0.445 381 C N 6.671 125.854 119.300 -0.196 0.000 2.455 381 C HA 0.716 5.175 4.460 -0.000 0.000 0.320 381 C C -0.577 174.269 174.990 -0.240 0.000 1.226 381 C CA -0.973 58.019 59.018 -0.043 0.000 1.569 381 C CB 0.694 28.462 27.740 0.047 0.000 2.200 381 C HN 0.776 nan 8.230 nan 0.000 0.491 382 F N 1.082 121.185 119.950 0.256 0.000 2.508 382 F HA 0.741 5.268 4.527 -0.000 0.000 0.325 382 F C 0.755 176.666 175.800 0.186 0.000 1.090 382 F CA -0.078 58.064 58.000 0.237 0.000 0.945 382 F CB 1.877 41.047 39.000 0.283 0.000 1.156 382 F HN 0.805 nan 8.300 nan 0.000 0.463 383 G N 0.104 109.102 108.800 0.330 0.000 2.574 383 G HA2 0.653 4.612 3.960 -0.000 0.000 0.299 383 G HA3 0.653 4.612 3.960 -0.000 0.000 0.299 383 G C -1.183 173.854 174.900 0.228 0.000 1.298 383 G CA -0.758 44.467 45.100 0.208 0.000 0.952 383 G HN 0.705 nan 8.290 nan 0.000 0.477 384 T N -2.412 112.259 114.554 0.194 0.000 2.888 384 T HA 0.412 4.761 4.350 -0.000 0.000 0.288 384 T C 0.304 175.126 174.700 0.203 0.000 1.063 384 T CA -0.376 61.828 62.100 0.172 0.000 1.010 384 T CB 2.110 71.049 68.868 0.118 0.000 1.214 384 T HN 0.222 nan 8.240 nan 0.000 0.533 385 D N -0.021 120.429 120.400 0.084 0.000 2.310 385 D HA 0.030 4.670 4.640 -0.000 0.000 0.212 385 D C 2.166 178.490 176.300 0.040 0.000 0.965 385 D CA 1.231 55.233 54.000 0.003 0.000 0.879 385 D CB -0.467 40.257 40.800 -0.126 0.000 0.921 385 D HN 0.688 nan 8.370 nan 0.000 0.510 386 A N 0.100 122.955 122.820 0.059 0.000 1.917 386 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 386 A C 1.311 178.918 177.584 0.038 0.000 1.182 386 A CA 1.295 53.367 52.037 0.058 0.000 0.633 386 A CB -0.097 18.973 19.000 0.117 0.000 0.819 386 A HN 0.223 nan 8.150 nan 0.000 0.448 387 N N -1.026 117.708 118.700 0.056 0.000 2.675 387 N HA 0.219 4.959 4.740 -0.000 0.000 0.254 387 N C -1.560 173.984 175.510 0.057 0.000 1.224 387 N CA -0.422 52.644 53.050 0.027 0.000 0.777 387 N CB 0.331 38.797 38.487 -0.034 0.000 1.256 387 N HN 0.390 nan 8.380 nan 0.000 0.531 388 H N 2.289 121.342 119.070 -0.028 0.000 2.525 388 H HA 0.595 5.150 4.556 -0.001 0.000 0.339 388 H C -0.454 174.846 175.328 -0.046 0.000 1.109 388 H CA -0.067 55.963 56.048 -0.030 0.000 1.352 388 H CB 0.931 30.675 29.762 -0.030 0.000 1.461 388 H HN 0.504 nan 8.280 nan 0.000 0.533 389 I N 3.414 123.565 120.570 -0.699 0.000 2.689 389 I HA 0.245 4.415 4.170 -0.000 0.000 0.299 389 I C -1.113 174.572 176.117 -0.720 0.000 1.059 389 I CA -0.937 60.039 61.300 -0.540 0.000 1.055 389 I CB 1.804 39.605 38.000 -0.330 0.000 1.243 389 I HN 0.577 nan 8.210 nan 0.000 0.425 390 Q N 7.967 127.534 119.800 -0.388 0.000 2.430 390 Q HA 0.405 4.744 4.340 -0.000 0.000 0.245 390 Q C -1.933 173.865 176.000 -0.338 0.000 1.021 390 Q CA -1.957 53.683 55.803 -0.272 0.000 0.867 390 Q CB 1.399 30.070 28.738 -0.112 0.000 1.210 390 Q HN 0.326 nan 8.270 nan 0.000 0.487 391 P HA -0.148 nan 4.420 nan 0.000 0.226 391 P C 0.070 176.955 177.300 -0.692 0.000 1.153 391 P CA 1.065 63.708 63.100 -0.761 0.000 0.777 391 P CB 0.421 31.332 31.700 -1.315 0.000 0.794 392 D N -0.139 119.985 120.400 -0.460 0.000 2.333 392 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 392 D C 1.453 177.649 176.300 -0.173 0.000 0.984 392 D CA 0.419 54.233 54.000 -0.310 0.000 0.873 392 D CB -0.319 40.128 40.800 -0.589 0.000 0.935 392 D HN 0.208 nan 8.370 nan 0.000 0.521 393 E N 0.215 120.317 120.200 -0.163 0.000 2.072 393 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 393 E C 0.137 176.690 176.600 -0.077 0.000 0.982 393 E CA 0.855 57.199 56.400 -0.093 0.000 0.803 393 E CB 0.243 29.893 29.700 -0.084 0.000 0.755 393 E HN 0.097 nan 8.360 nan 0.000 0.453 394 D N -0.332 120.003 120.400 -0.108 0.000 2.330 394 D HA 0.070 4.710 4.640 -0.000 0.000 0.249 394 D C 0.687 176.906 176.300 -0.135 0.000 1.306 394 D CA -0.210 53.735 54.000 -0.092 0.000 0.956 394 D CB 1.325 42.078 40.800 -0.079 0.000 1.261 394 D HN -0.211 nan 8.370 nan 0.000 0.544 395 V N 3.719 123.552 119.914 -0.135 0.000 2.317 395 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 395 V C 2.425 178.362 176.094 -0.262 0.000 1.065 395 V CA 1.520 63.678 62.300 -0.236 0.000 1.049 395 V CB -0.338 31.320 31.823 -0.276 0.000 0.651 395 V HN 0.426 nan 8.190 nan 0.000 0.450 396 R N 0.292 120.690 120.500 -0.170 0.000 2.103 396 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 396 R C 2.181 178.397 176.300 -0.140 0.000 1.142 396 R CA 1.349 57.364 56.100 -0.142 0.000 0.960 396 R CB -0.820 29.433 30.300 -0.079 0.000 0.858 396 R HN 0.572 nan 8.270 nan 0.000 0.439 397 E N -0.466 119.655 120.200 -0.131 0.000 2.152 397 E HA -0.041 4.308 4.350 -0.000 0.000 0.192 397 E C 1.873 178.382 176.600 -0.152 0.000 0.983 397 E CA 1.243 57.570 56.400 -0.121 0.000 0.818 397 E CB -0.321 29.314 29.700 -0.107 0.000 0.758 397 E HN 0.318 nan 8.360 nan 0.000 0.467 398 T N 2.171 116.603 114.554 -0.203 0.000 2.708 398 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 398 T C 2.189 176.770 174.700 -0.198 0.000 1.037 398 T CA 0.853 62.810 62.100 -0.238 0.000 1.146 398 T CB -0.285 68.387 68.868 -0.327 0.000 0.865 398 T HN 0.068 nan 8.240 nan 0.000 0.435 399 L N 0.300 121.383 121.223 -0.233 0.000 2.046 399 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 399 L C 2.665 179.467 176.870 -0.114 0.000 1.077 399 L CA 1.422 56.143 54.840 -0.198 0.000 0.747 399 L CB -0.398 41.487 42.059 -0.290 0.000 0.896 399 L HN 0.190 nan 8.230 nan 0.000 0.432 400 K N -0.237 120.097 120.400 -0.110 0.000 2.097 400 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 400 K C 2.182 178.754 176.600 -0.047 0.000 1.049 400 K CA 1.367 57.611 56.287 -0.073 0.000 0.933 400 K CB -0.250 32.213 32.500 -0.062 0.000 0.717 400 K HN 0.313 nan 8.250 nan 0.000 0.442 401 A N 0.573 123.357 122.820 -0.059 0.000 1.898 401 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 401 A C 2.298 179.884 177.584 0.004 0.000 1.181 401 A CA 1.280 53.291 52.037 -0.044 0.000 0.620 401 A CB -0.546 18.406 19.000 -0.080 0.000 0.819 401 A HN 0.069 nan 8.150 nan 0.000 0.442 402 V N -0.047 119.877 119.914 0.015 0.000 2.343 402 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 402 V C 2.753 178.952 176.094 0.174 0.000 1.051 402 V CA 1.987 64.357 62.300 0.117 0.000 1.036 402 V CB -1.350 30.556 31.823 0.138 0.000 0.654 402 V HN 0.607 nan 8.190 nan 0.000 0.451 403 G N -1.224 107.595 108.800 0.030 0.000 2.509 403 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 403 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 403 G C 1.464 176.318 174.900 -0.078 0.000 1.124 403 G CA 0.738 45.745 45.100 -0.154 0.000 0.776 403 G HN 0.533 nan 8.290 nan 0.000 0.547 404 Q N -0.423 119.394 119.800 0.028 0.000 2.425 404 Q HA 0.290 4.630 4.340 -0.000 0.000 0.204 404 Q C 2.170 178.263 176.000 0.155 0.000 0.933 404 Q CA 0.103 55.960 55.803 0.090 0.000 0.939 404 Q CB -0.184 28.618 28.738 0.107 0.000 1.044 404 Q HN 0.453 nan 8.270 nan 0.000 0.513 405 L N -0.444 120.890 121.223 0.184 0.000 2.201 405 L HA 0.056 4.395 4.340 -0.000 0.000 0.212 405 L C 0.469 177.581 176.870 0.403 0.000 1.105 405 L CA 0.865 55.901 54.840 0.327 0.000 0.775 405 L CB 0.078 42.393 42.059 0.427 0.000 0.913 405 L HN 0.199 nan 8.230 nan 0.000 0.440 406 A N -0.722 122.234 122.820 0.227 0.000 3.124 406 A HA 0.450 4.770 4.320 -0.000 0.000 0.295 406 A C -2.625 174.953 177.584 -0.009 0.000 1.199 406 A CA -0.912 51.235 52.037 0.183 0.000 0.845 406 A CB -0.083 18.993 19.000 0.126 0.000 1.381 406 A HN -0.161 nan 8.150 nan 0.000 0.537 407 P HA 0.300 nan 4.420 nan 0.000 0.262 407 P C 1.176 178.428 177.300 -0.079 0.000 1.182 407 P CA 2.110 65.171 63.100 -0.065 0.000 0.761 407 P CB 0.725 32.425 31.700 -0.001 0.000 0.795 408 G N 2.379 111.085 108.800 -0.158 0.000 2.153 408 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.252 408 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.252 408 G C 0.692 175.537 174.900 -0.092 0.000 0.994 408 G CA 0.676 45.709 45.100 -0.112 0.000 0.698 408 G HN 0.676 nan 8.290 nan 0.000 0.521 409 T N -2.759 111.704 114.554 -0.151 0.000 2.971 409 T HA 0.597 4.947 4.350 -0.000 0.000 0.252 409 T C 0.455 175.203 174.700 0.080 0.000 1.022 409 T CA 0.957 63.054 62.100 -0.005 0.000 0.980 409 T CB 0.232 69.154 68.868 0.090 0.000 1.044 409 T HN 1.609 nan 8.240 nan 0.000 0.501 410 F N -0.734 119.191 119.950 -0.043 0.000 2.693 410 F HA 0.821 5.348 4.527 -0.000 0.000 0.309 410 F C -0.468 175.326 175.800 -0.010 0.000 1.129 410 F CA -1.728 56.250 58.000 -0.037 0.000 0.948 410 F CB 0.866 39.820 39.000 -0.076 0.000 1.315 410 F HN 0.098 nan 8.300 nan 0.000 0.447 411 G N 0.795 109.759 108.800 0.273 0.000 2.441 411 G HA2 0.596 4.555 3.960 -0.000 0.000 0.334 411 G HA3 0.596 4.555 3.960 -0.000 0.000 0.334 411 G C -1.762 173.365 174.900 0.377 0.000 1.161 411 G CA -1.140 44.100 45.100 0.233 0.000 0.935 411 G HN 0.683 nan 8.290 nan 0.000 0.488 412 V N 1.644 121.764 119.914 0.344 0.000 2.407 412 V HA 0.248 4.368 4.120 -0.000 0.000 0.278 412 V C 0.849 177.144 176.094 0.336 0.000 1.037 412 V CA -0.413 62.103 62.300 0.361 0.000 0.900 412 V CB 1.566 33.611 31.823 0.371 0.000 0.983 412 V HN 0.853 nan 8.190 nan 0.000 0.459 413 K N 3.415 123.956 120.400 0.234 0.000 2.284 413 K HA 0.226 4.546 4.320 -0.000 0.000 0.198 413 K C 0.759 177.432 176.600 0.121 0.000 1.048 413 K CA 0.311 56.680 56.287 0.137 0.000 0.987 413 K CB 0.620 33.167 32.500 0.077 0.000 0.800 413 K HN 0.577 nan 8.250 nan 0.000 0.486 414 R N 0.431 121.070 120.500 0.232 0.000 2.644 414 R HA 0.278 4.618 4.340 -0.000 0.000 0.257 414 R C -1.944 174.542 176.300 0.310 0.000 1.082 414 R CA -0.409 55.818 56.100 0.212 0.000 0.927 414 R CB 0.950 31.283 30.300 0.054 0.000 1.258 414 R HN -0.069 nan 8.270 nan 0.000 0.459 415 L N 3.499 124.956 121.223 0.390 0.000 2.342 415 L HA 0.764 5.104 4.340 -0.000 0.000 0.271 415 L C -0.832 176.121 176.870 0.138 0.000 1.008 415 L CA -1.243 53.793 54.840 0.328 0.000 0.818 415 L CB 2.318 44.641 42.059 0.441 0.000 1.296 415 L HN 0.337 nan 8.230 nan 0.000 0.427 416 V N 2.878 122.864 119.914 0.120 0.000 2.733 416 V HA 0.614 4.734 4.120 -0.000 0.000 0.306 416 V C -0.993 175.233 176.094 0.220 0.000 1.084 416 V CA -0.576 61.672 62.300 -0.088 0.000 0.905 416 V CB 1.816 33.373 31.823 -0.443 0.000 1.010 416 V HN 0.670 nan 8.190 nan 0.000 0.424 417 F N 1.682 121.735 119.950 0.171 0.000 2.741 417 F HA 0.794 5.321 4.527 -0.000 0.000 0.311 417 F C -1.212 174.737 175.800 0.247 0.000 1.149 417 F CA -1.040 57.072 58.000 0.188 0.000 0.930 417 F CB 1.561 40.610 39.000 0.080 0.000 1.312 417 F HN 0.574 nan 8.300 nan 0.000 0.450 418 H N 0.844 120.116 119.070 0.337 0.000 2.600 418 H HA 0.428 4.984 4.556 -0.000 0.000 0.357 418 H C -1.405 173.927 175.328 0.008 0.000 1.106 418 H CA -0.793 55.346 56.048 0.151 0.000 1.193 418 H CB 1.415 31.126 29.762 -0.085 0.000 1.594 418 H HN 0.766 nan 8.280 nan 0.000 0.526 419 N N 4.585 123.053 118.700 -0.388 0.000 2.439 419 N HA -0.020 4.720 4.740 -0.000 0.000 0.243 419 N C -0.044 175.229 175.510 -0.395 0.000 1.088 419 N CA -0.102 52.783 53.050 -0.276 0.000 0.940 419 N CB 0.177 38.597 38.487 -0.111 0.000 1.180 419 N HN 0.727 nan 8.380 nan 0.000 0.505 420 W N 2.835 124.219 121.300 0.141 0.000 2.476 420 W HA -0.038 4.622 4.660 -0.000 0.000 0.281 420 W C 2.047 178.641 176.519 0.125 0.000 1.230 420 W CA 0.008 57.483 57.345 0.217 0.000 1.287 420 W CB -0.009 29.618 29.460 0.279 0.000 1.108 420 W HN 0.337 nan 8.180 nan 0.000 0.567 421 V N 0.815 120.890 119.914 0.269 0.000 2.270 421 V HA -0.273 3.846 4.120 -0.000 0.000 0.245 421 V C 1.881 178.025 176.094 0.083 0.000 1.043 421 V CA 1.847 64.235 62.300 0.146 0.000 1.014 421 V CB -0.719 31.176 31.823 0.120 0.000 0.645 421 V HN 0.109 nan 8.190 nan 0.000 0.447 422 K N -0.137 120.295 120.400 0.053 0.000 2.459 422 K HA -0.015 4.305 4.320 -0.000 0.000 0.193 422 K C 0.557 177.153 176.600 -0.006 0.000 1.030 422 K CA 0.044 56.339 56.287 0.013 0.000 1.026 422 K CB -0.048 32.456 32.500 0.006 0.000 0.809 422 K HN 0.400 nan 8.250 nan 0.000 0.504 423 D N 1.823 122.235 120.400 0.019 0.000 2.343 423 D HA -0.063 4.577 4.640 -0.000 0.000 0.255 423 D C 0.804 177.102 176.300 -0.003 0.000 1.187 423 D CA -0.003 54.012 54.000 0.024 0.000 0.875 423 D CB 1.011 41.897 40.800 0.144 0.000 1.136 423 D HN 0.295 nan 8.370 nan 0.000 0.469 424 E N 2.858 122.929 120.200 -0.215 0.000 2.338 424 E HA -0.160 4.190 4.350 -0.000 0.000 0.197 424 E C 0.413 176.801 176.600 -0.353 0.000 1.007 424 E CA 0.790 56.968 56.400 -0.370 0.000 0.849 424 E CB -0.249 29.089 29.700 -0.604 0.000 0.774 424 E HN 0.372 nan 8.360 nan 0.000 0.506 425 F N -0.065 119.974 119.950 0.147 0.000 2.639 425 F HA 0.514 5.041 4.527 0.000 0.000 0.302 425 F C 1.308 177.238 175.800 0.217 0.000 1.097 425 F CA 0.015 58.107 58.000 0.154 0.000 1.294 425 F CB 0.974 40.044 39.000 0.117 0.000 1.027 425 F HN 0.199 nan 8.300 nan 0.000 0.550 426 A N -0.395 122.645 122.820 0.367 0.000 1.786 426 A HA 0.242 4.562 4.320 -0.000 0.000 0.208 426 A C 1.018 178.774 177.584 0.287 0.000 1.787 426 A CA -0.207 52.066 52.037 0.394 0.000 1.125 426 A CB 0.287 19.666 19.000 0.631 0.000 1.082 426 A HN 0.025 nan 8.150 nan 0.000 0.534 427 K N -0.012 120.526 120.400 0.229 0.000 3.244 427 K HA -0.068 4.251 4.320 -0.000 0.000 0.270 427 K C 0.224 176.871 176.600 0.078 0.000 1.016 427 K CA 0.537 56.895 56.287 0.119 0.000 0.754 427 K CB -2.152 30.388 32.500 0.066 0.000 1.326 427 K HN 1.932 nan 8.250 nan 0.000 0.465 428 G N -1.777 107.123 108.800 0.167 0.000 2.351 428 G HA2 0.376 4.336 3.960 -0.000 0.000 0.353 428 G HA3 0.376 4.336 3.960 -0.000 0.000 0.353 428 G C -0.840 174.201 174.900 0.234 0.000 1.358 428 G CA -0.332 44.836 45.100 0.113 0.000 0.995 428 G HN 0.485 nan 8.290 nan 0.000 0.611 429 A N -0.610 122.259 122.820 0.081 0.000 3.068 429 A HA 0.885 5.205 4.320 -0.000 0.000 0.229 429 A C 0.401 177.928 177.584 -0.095 0.000 1.561 429 A CA 0.198 52.168 52.037 -0.111 0.000 0.876 429 A CB -0.265 18.496 19.000 -0.398 0.000 1.700 429 A HN 2.236 nan 8.150 nan 0.000 0.535 430 W N -1.322 119.973 121.300 -0.009 0.000 2.470 430 W HA 0.239 4.899 4.660 0.000 0.000 0.341 430 W C -0.339 176.090 176.519 -0.150 0.000 1.199 430 W CA -0.696 56.623 57.345 -0.043 0.000 1.339 430 W CB -0.369 29.070 29.460 -0.036 0.000 1.178 430 W HN 0.446 nan 8.180 nan 0.000 0.578 431 F N 4.987 124.837 119.950 -0.167 0.000 2.602 431 F HA 0.225 4.752 4.527 -0.000 0.000 0.385 431 F C -0.696 175.183 175.800 0.132 0.000 1.063 431 F CA -0.012 57.731 58.000 -0.429 0.000 1.233 431 F CB -0.062 38.848 39.000 -0.151 0.000 1.067 431 F HN 0.352 nan 8.300 nan 0.000 0.564 432 F N 5.158 124.618 119.950 -0.816 0.000 2.581 432 F HA 0.409 4.936 4.527 -0.000 0.000 0.311 432 F C -0.560 174.779 175.800 -0.769 0.000 1.113 432 F CA -0.644 57.010 58.000 -0.577 0.000 0.935 432 F CB 1.541 40.452 39.000 -0.148 0.000 1.232 432 F HN 0.527 nan 8.300 nan 0.000 0.445 433 S N 4.411 119.714 115.700 -0.661 0.000 2.672 433 S HA 0.672 5.142 4.470 -0.000 0.000 0.276 433 S C -0.190 174.385 174.600 -0.041 0.000 1.207 433 S CA -0.968 57.024 58.200 -0.346 0.000 1.002 433 S CB 1.414 64.522 63.200 -0.154 0.000 0.998 433 S HN 0.715 nan 8.310 nan 0.000 0.542 434 R N 0.700 121.192 120.500 -0.013 0.000 2.615 434 R HA 0.344 4.684 4.340 -0.000 0.000 0.270 434 R C -2.645 173.677 176.300 0.037 0.000 1.081 434 R CA -1.867 54.241 56.100 0.013 0.000 1.154 434 R CB -0.374 29.934 30.300 0.014 0.000 1.063 434 R HN 0.424 nan 8.270 nan 0.000 0.519 435 P HA -0.075 nan 4.420 nan 0.000 0.260 435 P C 0.577 177.909 177.300 0.054 0.000 1.185 435 P CA 1.147 64.283 63.100 0.060 0.000 0.763 435 P CB 0.439 32.172 31.700 0.055 0.000 0.776 436 G N 3.394 112.232 108.800 0.064 0.000 2.241 436 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.244 436 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.244 436 G C 0.973 175.926 174.900 0.089 0.000 0.998 436 G CA 0.407 45.549 45.100 0.070 0.000 0.621 436 G HN 0.538 nan 8.290 nan 0.000 0.519 437 M N 0.754 120.409 119.600 0.092 0.000 2.086 437 M HA -0.016 4.464 4.480 -0.000 0.000 0.261 437 M C 2.478 178.868 176.300 0.151 0.000 1.067 437 M CA 2.713 58.083 55.300 0.117 0.000 1.116 437 M CB -0.235 32.441 32.600 0.128 0.000 1.348 437 M HN 0.215 nan 8.290 nan 0.000 0.407 438 V N -0.076 119.938 119.914 0.166 0.000 2.261 438 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 438 V C 2.450 178.630 176.094 0.143 0.000 1.047 438 V CA 2.083 64.476 62.300 0.155 0.000 1.015 438 V CB -0.992 30.909 31.823 0.129 0.000 0.642 438 V HN 0.559 nan 8.190 nan 0.000 0.446 439 S N -0.800 115.008 115.700 0.180 0.000 2.369 439 S HA -0.335 4.135 4.470 -0.000 0.000 0.225 439 S C 2.047 176.834 174.600 0.311 0.000 1.043 439 S CA 2.360 60.748 58.200 0.312 0.000 1.074 439 S CB -0.332 63.034 63.200 0.276 0.000 0.962 439 S HN 0.750 nan 8.310 nan 0.000 0.433 440 E N -0.644 119.667 120.200 0.186 0.000 2.012 440 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 440 E C 1.769 178.430 176.600 0.102 0.000 1.007 440 E CA 1.758 58.230 56.400 0.120 0.000 0.816 440 E CB -0.114 29.634 29.700 0.080 0.000 0.762 440 E HN 0.572 nan 8.360 nan 0.000 0.451 441 C N 0.339 119.694 119.300 0.092 0.000 2.926 441 C HA 0.206 4.666 4.460 -0.000 0.000 0.272 441 C C 2.208 177.203 174.990 0.008 0.000 1.249 441 C CA -0.633 58.409 59.018 0.040 0.000 1.691 441 C CB -0.657 27.102 27.740 0.032 0.000 1.983 441 C HN 0.495 nan 8.230 nan 0.000 0.615 442 L N 1.508 122.758 121.223 0.045 0.000 2.017 442 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 442 L C 2.625 179.490 176.870 -0.008 0.000 1.073 442 L CA 1.966 56.816 54.840 0.016 0.000 0.745 442 L CB -0.785 41.290 42.059 0.027 0.000 0.894 442 L HN 0.381 nan 8.230 nan 0.000 0.432 443 Q N -0.910 118.912 119.800 0.037 0.000 2.061 443 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 443 Q C 2.026 177.998 176.000 -0.046 0.000 0.984 443 Q CA 1.769 57.589 55.803 0.028 0.000 0.846 443 Q CB -0.472 28.313 28.738 0.079 0.000 0.902 443 Q HN 0.659 nan 8.270 nan 0.000 0.421 444 G N 0.761 109.517 108.800 -0.073 0.000 2.418 444 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.217 444 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.217 444 G C 1.323 176.052 174.900 -0.286 0.000 1.158 444 G CA 0.602 45.618 45.100 -0.140 0.000 0.771 444 G HN 0.320 nan 8.290 nan 0.000 0.545 445 L N -0.525 120.477 121.223 -0.368 0.000 2.353 445 L HA 0.041 4.380 4.340 -0.000 0.000 0.220 445 L C 2.823 179.117 176.870 -0.960 0.000 1.133 445 L CA 0.797 55.185 54.840 -0.753 0.000 0.798 445 L CB 0.000 41.665 42.059 -0.657 0.000 0.922 445 L HN 0.153 nan 8.230 nan 0.000 0.445 446 R N -1.479 118.752 120.500 -0.448 0.000 2.373 446 R HA 0.090 4.429 4.340 -0.000 0.000 0.221 446 R C 0.494 176.759 176.300 -0.059 0.000 0.893 446 R CA -0.238 55.755 56.100 -0.178 0.000 1.049 446 R CB 0.463 30.763 30.300 0.001 0.000 1.119 446 R HN 0.060 nan 8.270 nan 0.000 0.535 447 E N 2.073 122.220 120.200 -0.089 0.000 2.374 447 E HA 0.072 4.421 4.350 -0.000 0.000 0.260 447 E C -0.507 176.126 176.600 0.055 0.000 1.101 447 E CA -0.030 56.363 56.400 -0.012 0.000 0.907 447 E CB 0.657 30.341 29.700 -0.026 0.000 1.014 447 E HN -0.145 nan 8.360 nan 0.000 0.427 448 K N 1.480 121.924 120.400 0.075 0.000 2.455 448 K HA -0.039 4.281 4.320 -0.000 0.000 0.269 448 K C -0.327 176.385 176.600 0.185 0.000 0.972 448 K CA 0.681 57.034 56.287 0.110 0.000 0.938 448 K CB 0.089 32.627 32.500 0.063 0.000 0.931 448 K HN 0.496 nan 8.250 nan 0.000 0.507 449 H N 0.028 119.143 119.070 0.075 0.000 2.600 449 H HA 0.188 4.744 4.556 -0.000 0.000 0.224 449 H C 0.379 175.733 175.328 0.044 0.000 1.413 449 H CA 0.688 56.788 56.048 0.086 0.000 1.401 449 H CB -0.055 29.839 29.762 0.220 0.000 1.772 449 H HN 0.862 nan 8.280 nan 0.000 0.528 450 G N 1.342 110.105 108.800 -0.062 0.000 2.685 450 G HA2 -0.426 3.533 3.960 -0.000 0.000 0.329 450 G HA3 -0.426 3.533 3.960 -0.000 0.000 0.329 450 G C 1.460 176.364 174.900 0.006 0.000 1.271 450 G CA 0.392 45.466 45.100 -0.044 0.000 1.003 450 G HN 0.905 nan 8.290 nan 0.000 0.549 451 G N -0.532 108.276 108.800 0.013 0.000 2.920 451 G HA2 0.421 4.381 3.960 -0.000 0.000 0.208 451 G HA3 0.421 4.381 3.960 -0.000 0.000 0.208 451 G C 0.352 175.253 174.900 0.003 0.000 1.159 451 G CA 1.115 46.223 45.100 0.014 0.000 0.784 451 G HN 1.109 nan 8.290 nan 0.000 0.535 452 V N 1.029 120.951 119.914 0.013 0.000 2.394 452 V HA 0.386 4.505 4.120 -0.000 0.000 0.282 452 V C -0.326 175.678 176.094 -0.151 0.000 1.031 452 V CA -0.776 61.457 62.300 -0.112 0.000 0.881 452 V CB 1.887 33.579 31.823 -0.218 0.000 0.982 452 V HN -0.088 nan 8.190 nan 0.000 0.451 453 V N 5.512 125.315 119.914 -0.186 0.000 2.334 453 V HA 0.417 4.537 4.120 -0.000 0.000 0.281 453 V C -0.452 175.579 176.094 -0.105 0.000 1.016 453 V CA -0.400 61.858 62.300 -0.069 0.000 0.832 453 V CB 0.903 32.718 31.823 -0.013 0.000 0.999 453 V HN 0.650 nan 8.190 nan 0.000 0.439 454 F N 3.620 123.632 119.950 0.103 0.000 2.445 454 F HA 0.648 5.175 4.527 -0.000 0.000 0.359 454 F C 0.675 176.772 175.800 0.495 0.000 1.101 454 F CA -0.067 58.070 58.000 0.229 0.000 1.177 454 F CB 1.166 40.161 39.000 -0.007 0.000 1.110 454 F HN 0.540 nan 8.300 nan 0.000 0.522 455 A N 4.643 127.817 122.820 0.590 0.000 2.381 455 A HA 0.663 4.983 4.320 -0.000 0.000 0.299 455 A C -1.049 176.460 177.584 -0.124 0.000 1.049 455 A CA -0.558 51.653 52.037 0.290 0.000 0.715 455 A CB 1.355 20.427 19.000 0.121 0.000 1.222 455 A HN 0.698 nan 8.150 nan 0.000 0.428 456 N N 1.022 119.273 118.700 -0.749 0.000 2.745 456 N HA 0.124 4.864 4.740 -0.000 0.000 0.256 456 N C 0.641 175.639 175.510 -0.853 0.000 1.268 456 N CA 0.192 52.699 53.050 -0.905 0.000 0.887 456 N CB 2.173 39.845 38.487 -1.358 0.000 1.575 456 N HN 0.412 nan 8.380 nan 0.000 0.496 457 S N 0.949 116.376 115.700 -0.454 0.000 2.387 457 S HA -0.153 4.316 4.470 -0.000 0.000 0.230 457 S C 0.720 175.094 174.600 -0.376 0.000 1.035 457 S CA 1.734 59.762 58.200 -0.286 0.000 1.014 457 S CB -0.216 62.928 63.200 -0.094 0.000 0.836 457 S HN 0.585 nan 8.310 nan 0.000 0.466 458 D N 0.248 120.336 120.400 -0.520 0.000 2.271 458 D HA -0.135 4.505 4.640 -0.000 0.000 0.207 458 D C 0.878 176.729 176.300 -0.748 0.000 0.983 458 D CA 1.196 54.850 54.000 -0.576 0.000 0.878 458 D CB -0.246 40.377 40.800 -0.295 0.000 0.920 458 D HN 0.915 nan 8.370 nan 0.000 0.479 459 W N -0.411 120.661 121.300 -0.381 0.000 1.887 459 W HA 0.730 5.389 4.660 -0.001 0.000 0.324 459 W C -0.202 176.212 176.519 -0.175 0.000 0.892 459 W CA -1.293 55.853 57.345 -0.333 0.000 2.330 459 W CB -0.623 28.690 29.460 -0.245 0.000 1.197 459 W HN -0.148 nan 8.180 nan 0.000 0.547 460 A N 1.297 124.026 122.820 -0.151 0.000 2.429 460 A HA 0.287 4.607 4.320 -0.000 0.000 0.242 460 A C 1.015 178.589 177.584 -0.016 0.000 1.088 460 A CA 0.153 52.156 52.037 -0.057 0.000 0.784 460 A CB 0.615 19.584 19.000 -0.051 0.000 1.038 460 A HN 0.584 nan 8.150 nan 0.000 0.501 461 L N 0.763 122.000 121.223 0.024 0.000 2.168 461 L HA 0.076 4.416 4.340 -0.000 0.000 0.203 461 L C 2.302 179.143 176.870 -0.048 0.000 1.078 461 L CA 1.241 56.097 54.840 0.027 0.000 0.780 461 L CB -0.626 41.506 42.059 0.122 0.000 0.939 461 L HN 0.893 nan 8.230 nan 0.000 0.451 462 G N -1.195 107.570 108.800 -0.059 0.000 2.548 462 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.221 462 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.221 462 G C -0.415 174.348 174.900 -0.229 0.000 1.796 462 G CA -0.381 44.502 45.100 -0.361 0.000 0.889 462 G HN 0.223 nan 8.290 nan 0.000 0.599 463 W N 2.725 124.008 121.300 -0.028 0.000 1.564 463 W HA 0.491 5.150 4.660 -0.001 0.000 0.448 463 W C 0.982 177.619 176.519 0.196 0.000 0.601 463 W CA -0.924 56.395 57.345 -0.044 0.000 2.326 463 W CB -0.192 29.133 29.460 -0.225 0.000 1.355 463 W HN 0.075 nan 8.180 nan 0.000 0.382 464 R N 1.876 122.545 120.500 0.281 0.000 2.537 464 R HA 0.036 4.375 4.340 -0.000 0.000 0.281 464 R C 1.406 177.878 176.300 0.287 0.000 0.988 464 R CA 1.631 57.839 56.100 0.180 0.000 1.077 464 R CB 0.455 30.778 30.300 0.037 0.000 0.932 464 R HN 0.453 nan 8.270 nan 0.000 0.409 465 S N 1.580 117.374 115.700 0.157 0.000 2.765 465 S HA -0.186 4.284 4.470 -0.000 0.000 0.266 465 S C -0.314 174.209 174.600 -0.128 0.000 1.302 465 S CA 0.845 59.114 58.200 0.115 0.000 1.274 465 S CB -1.964 61.441 63.200 0.342 0.000 1.559 465 S HN 0.489 nan 8.310 nan 0.000 0.658 466 F N 0.910 120.877 119.950 0.029 0.000 2.450 466 F HA 0.668 5.195 4.527 -0.000 0.000 0.328 466 F C 1.980 177.788 175.800 0.013 0.000 1.068 466 F CA -0.612 57.370 58.000 -0.029 0.000 1.007 466 F CB 0.394 39.345 39.000 -0.081 0.000 1.251 466 F HN -0.012 nan 8.300 nan 0.000 0.492 467 I N 0.503 121.196 120.570 0.206 0.000 2.185 467 I HA -0.352 3.818 4.170 -0.000 0.000 0.246 467 I C 1.957 178.140 176.117 0.109 0.000 1.088 467 I CA 1.962 63.340 61.300 0.130 0.000 1.347 467 I CB -0.322 37.710 38.000 0.054 0.000 1.041 467 I HN 0.735 nan 8.210 nan 0.000 0.415 468 D N 0.698 121.173 120.400 0.123 0.000 2.106 468 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 468 D C 2.219 178.609 176.300 0.151 0.000 0.997 468 D CA 1.817 55.904 54.000 0.144 0.000 0.834 468 D CB -0.259 40.560 40.800 0.033 0.000 0.956 468 D HN 0.329 nan 8.370 nan 0.000 0.448 469 G N -0.327 108.583 108.800 0.184 0.000 2.432 469 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 469 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 469 G C 1.644 176.529 174.900 -0.024 0.000 1.135 469 G CA 0.911 46.058 45.100 0.079 0.000 0.767 469 G HN 0.431 nan 8.290 nan 0.000 0.550 470 A N 0.873 123.703 122.820 0.016 0.000 1.877 470 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 470 A C 2.371 179.946 177.584 -0.014 0.000 1.186 470 A CA 1.315 53.344 52.037 -0.013 0.000 0.620 470 A CB -0.340 18.704 19.000 0.073 0.000 0.822 470 A HN 0.370 nan 8.150 nan 0.000 0.443 471 I N -0.356 120.230 120.570 0.027 0.000 2.315 471 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 471 I C 2.541 178.654 176.117 -0.007 0.000 1.117 471 I CA 1.614 62.951 61.300 0.061 0.000 1.404 471 I CB -0.313 37.799 38.000 0.186 0.000 1.071 471 I HN 0.616 nan 8.210 nan 0.000 0.419 472 E N 1.325 121.398 120.200 -0.212 0.000 2.058 472 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 472 E C 1.974 178.479 176.600 -0.157 0.000 0.997 472 E CA 1.384 57.501 56.400 -0.471 0.000 0.801 472 E CB -0.028 29.186 29.700 -0.811 0.000 0.746 472 E HN 0.374 nan 8.360 nan 0.000 0.450 473 E N 0.162 120.295 120.200 -0.112 0.000 2.072 473 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 473 E C 2.091 178.683 176.600 -0.013 0.000 0.985 473 E CA 1.011 57.378 56.400 -0.055 0.000 0.801 473 E CB -0.529 29.098 29.700 -0.122 0.000 0.750 473 E HN 0.492 nan 8.360 nan 0.000 0.452 474 G N 0.760 109.549 108.800 -0.020 0.000 2.476 474 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 474 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 474 G C 1.717 176.639 174.900 0.037 0.000 1.164 474 G CA 1.685 46.788 45.100 0.005 0.000 0.768 474 G HN 0.254 nan 8.290 nan 0.000 0.560 475 T N 0.116 114.703 114.554 0.056 0.000 2.708 475 T HA -0.097 4.253 4.350 -0.000 0.000 0.266 475 T C 2.305 177.045 174.700 0.066 0.000 1.037 475 T CA 1.315 63.464 62.100 0.082 0.000 1.146 475 T CB -0.145 68.795 68.868 0.120 0.000 0.865 475 T HN 0.337 nan 8.240 nan 0.000 0.435 476 R N 0.990 121.523 120.500 0.055 0.000 2.096 476 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 476 R C 2.548 178.879 176.300 0.052 0.000 1.127 476 R CA 1.410 57.545 56.100 0.059 0.000 0.968 476 R CB -0.423 29.914 30.300 0.063 0.000 0.861 476 R HN 0.378 nan 8.270 nan 0.000 0.440 477 A N 0.683 123.530 122.820 0.044 0.000 1.898 477 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 477 A C 2.352 179.938 177.584 0.003 0.000 1.181 477 A CA 1.539 53.594 52.037 0.031 0.000 0.620 477 A CB -0.712 18.304 19.000 0.026 0.000 0.819 477 A HN 0.535 nan 8.150 nan 0.000 0.442 478 A N -0.234 122.592 122.820 0.010 0.000 1.877 478 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 478 A C 2.218 179.804 177.584 0.003 0.000 1.186 478 A CA 1.868 53.903 52.037 -0.004 0.000 0.620 478 A CB -0.481 18.540 19.000 0.035 0.000 0.822 478 A HN 0.527 nan 8.150 nan 0.000 0.443 479 R N -0.558 119.962 120.500 0.034 0.000 2.091 479 R HA -0.099 4.241 4.340 -0.000 0.000 0.238 479 R C 1.902 178.220 176.300 0.029 0.000 1.136 479 R CA 1.731 57.857 56.100 0.044 0.000 0.959 479 R CB -0.505 29.829 30.300 0.057 0.000 0.856 479 R HN 0.277 nan 8.270 nan 0.000 0.437 480 V N -0.278 119.648 119.914 0.021 0.000 2.295 480 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 480 V C 2.236 178.321 176.094 -0.015 0.000 1.049 480 V CA 1.749 64.058 62.300 0.014 0.000 1.024 480 V CB -0.199 31.638 31.823 0.023 0.000 0.648 480 V HN 0.214 nan 8.190 nan 0.000 0.447 481 V N -0.468 119.410 119.914 -0.060 0.000 2.295 481 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 481 V C 2.296 178.294 176.094 -0.161 0.000 1.049 481 V CA 2.274 64.488 62.300 -0.144 0.000 1.024 481 V CB -0.471 31.209 31.823 -0.237 0.000 0.648 481 V HN 0.495 nan 8.190 nan 0.000 0.447 482 L N -0.192 120.970 121.223 -0.102 0.000 2.017 482 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 482 L C 2.681 179.622 176.870 0.118 0.000 1.073 482 L CA 2.076 56.957 54.840 0.069 0.000 0.745 482 L CB -0.376 41.779 42.059 0.160 0.000 0.894 482 L HN 0.399 nan 8.230 nan 0.000 0.432 483 E N -0.208 120.032 120.200 0.067 0.000 2.110 483 E HA -0.272 4.077 4.350 -0.000 0.000 0.193 483 E C 1.908 178.542 176.600 0.057 0.000 0.988 483 E CA 1.597 58.035 56.400 0.064 0.000 0.804 483 E CB 0.020 29.748 29.700 0.047 0.000 0.745 483 E HN 0.628 nan 8.360 nan 0.000 0.458 484 E N -0.213 120.009 120.200 0.037 0.000 2.152 484 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 484 E C 1.118 177.750 176.600 0.055 0.000 0.983 484 E CA 0.386 56.806 56.400 0.033 0.000 0.818 484 E CB 0.299 30.006 29.700 0.011 0.000 0.758 484 E HN 0.212 nan 8.360 nan 0.000 0.467 485 L N -1.388 119.886 121.223 0.085 0.000 2.849 485 L HA 0.639 4.979 4.340 -0.000 0.000 0.230 485 L C 0.688 177.685 176.870 0.211 0.000 1.589 485 L CA -0.471 54.463 54.840 0.157 0.000 1.664 485 L CB 0.829 43.022 42.059 0.223 0.000 2.392 485 L HN 0.125 nan 8.230 nan 0.000 0.586 486 G N 0.000 108.962 108.800 0.269 0.000 5.446 486 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 486 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 486 G CA 0.000 45.204 45.100 0.174 0.000 0.502 486 G HN 0.000 nan 8.290 nan 0.000 0.925