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 3n25_1_C DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHKCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIXXXXXAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKXXDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS SQSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.096 176.117 -0.036 0.000 1.063 12 I CA 0.000 61.265 61.300 -0.058 0.000 1.566 12 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 13 Q N 3.481 123.263 119.800 -0.030 0.000 2.373 13 Q HA 0.348 4.681 4.340 -0.013 0.000 0.255 13 Q C 0.495 176.496 176.000 0.002 0.000 0.980 13 Q CA -0.216 55.584 55.803 -0.004 0.000 0.882 13 Q CB 1.059 29.807 28.738 0.017 0.000 1.249 13 Q HN 0.653 nan 8.270 nan 0.000 0.438 14 T N -0.978 113.580 114.554 0.005 0.000 2.816 14 T HA 0.079 4.421 4.350 -0.013 0.000 0.282 14 T C 0.438 175.145 174.700 0.011 0.000 0.993 14 T CA -0.724 61.379 62.100 0.006 0.000 0.994 14 T CB 1.104 69.978 68.868 0.009 0.000 1.025 14 T HN 0.811 nan 8.240 nan 0.000 0.529 15 Q N 0.241 120.047 119.800 0.010 0.000 2.502 15 Q HA -0.234 4.099 4.340 -0.013 0.000 0.273 15 Q C -0.280 175.735 176.000 0.024 0.000 1.127 15 Q CA 0.560 56.373 55.803 0.017 0.000 0.952 15 Q CB -1.298 27.449 28.738 0.015 0.000 1.333 15 Q HN 0.822 nan 8.270 nan 0.000 0.494 16 Q N -1.914 117.891 119.800 0.007 0.000 2.408 16 Q HA -0.248 4.084 4.340 -0.013 0.000 0.290 16 Q C 0.577 176.579 176.000 0.003 0.000 1.221 16 Q CA 1.567 57.362 55.803 -0.014 0.000 0.895 16 Q CB -1.806 26.903 28.738 -0.049 0.000 1.241 16 Q HN 0.711 nan 8.270 nan 0.000 0.494 17 L N -1.338 119.902 121.223 0.028 0.000 2.291 17 L HA -0.147 4.185 4.340 -0.013 0.000 0.214 17 L C 2.257 179.162 176.870 0.057 0.000 1.120 17 L CA 1.255 56.118 54.840 0.040 0.000 0.799 17 L CB -0.333 41.748 42.059 0.036 0.000 0.925 17 L HN 0.350 nan 8.230 nan 0.000 0.446 18 H N 0.464 119.507 119.070 -0.045 0.000 2.326 18 H HA -0.099 4.453 4.556 -0.008 0.000 0.301 18 H C 2.160 177.437 175.328 -0.085 0.000 1.081 18 H CA 1.519 57.534 56.048 -0.055 0.000 1.334 18 H CB 0.065 29.788 29.762 -0.065 0.000 1.385 18 H HN 0.216 nan 8.280 nan 0.000 0.504 19 A N 0.951 123.620 122.820 -0.251 0.000 1.978 19 A HA -0.090 4.223 4.320 -0.013 0.000 0.220 19 A C 2.611 180.062 177.584 -0.222 0.000 1.170 19 A CA 1.741 53.514 52.037 -0.441 0.000 0.636 19 A CB -1.338 17.256 19.000 -0.676 0.000 0.810 19 A HN 0.629 nan 8.150 nan 0.000 0.448 20 A N -1.322 121.471 122.820 -0.044 0.000 1.978 20 A HA -0.115 4.198 4.320 -0.013 0.000 0.220 20 A C 1.963 179.616 177.584 0.114 0.000 1.170 20 A CA 1.912 54.011 52.037 0.103 0.000 0.636 20 A CB -0.388 18.671 19.000 0.097 0.000 0.810 20 A HN 0.403 nan 8.150 nan 0.000 0.448 21 M N -0.422 119.184 119.600 0.010 0.000 2.595 21 M HA 0.252 4.724 4.480 -0.013 0.000 0.248 21 M C 1.155 177.476 176.300 0.035 0.000 1.119 21 M CA -0.240 55.077 55.300 0.028 0.000 1.079 21 M CB -1.554 31.050 32.600 0.008 0.000 1.472 21 M HN 0.386 nan 8.290 nan 0.000 0.501 22 A N 0.606 123.422 122.820 -0.007 0.000 2.425 22 A HA 0.090 4.402 4.320 -0.013 0.000 0.242 22 A C 0.969 178.702 177.584 0.248 0.000 1.077 22 A CA -0.017 52.026 52.037 0.011 0.000 0.781 22 A CB 0.300 19.214 19.000 -0.142 0.000 1.020 22 A HN 0.318 nan 8.150 nan 0.000 0.494 23 D N -0.471 120.037 120.400 0.181 0.000 2.216 23 D HA 0.025 4.658 4.640 -0.013 0.000 0.208 23 D C 1.104 177.560 176.300 0.260 0.000 0.960 23 D CA 1.932 56.046 54.000 0.189 0.000 0.861 23 D CB -0.005 40.854 40.800 0.098 0.000 0.985 23 D HN 0.755 nan 8.370 nan 0.000 0.493 24 T N -2.950 111.766 114.554 0.270 0.000 2.950 24 T HA 0.271 4.613 4.350 -0.013 0.000 0.288 24 T C 0.820 175.804 174.700 0.475 0.000 1.035 24 T CA -0.848 61.443 62.100 0.317 0.000 1.028 24 T CB 1.531 70.512 68.868 0.188 0.000 1.109 24 T HN -0.142 nan 8.240 nan 0.000 0.514 25 F N 0.711 120.872 119.950 0.351 0.000 2.134 25 F HA 0.039 4.552 4.527 -0.022 0.000 0.299 25 F C 1.940 177.816 175.800 0.127 0.000 1.097 25 F CA 1.188 59.360 58.000 0.286 0.000 1.264 25 F CB -0.386 38.742 39.000 0.213 0.000 1.001 25 F HN 0.539 nan 8.300 nan 0.000 0.479 26 L N 0.820 122.177 121.223 0.223 0.000 1.971 26 L HA -0.242 4.091 4.340 -0.013 0.000 0.215 26 L C 2.340 179.189 176.870 -0.035 0.000 1.072 26 L CA 2.345 57.234 54.840 0.081 0.000 0.758 26 L CB -1.283 40.836 42.059 0.100 0.000 0.889 26 L HN 0.324 nan 8.230 nan 0.000 0.433 27 E N -1.319 118.874 120.200 -0.011 0.000 2.035 27 E HA -0.404 3.938 4.350 -0.013 0.000 0.204 27 E C 2.256 178.741 176.600 -0.192 0.000 1.025 27 E CA 1.795 58.152 56.400 -0.072 0.000 0.835 27 E CB -0.331 29.354 29.700 -0.026 0.000 0.764 27 E HN 0.739 nan 8.360 nan 0.000 0.457 28 H N 0.267 119.099 119.070 -0.397 0.000 2.325 28 H HA -0.195 4.357 4.556 -0.008 0.000 0.293 28 H C 2.076 177.095 175.328 -0.515 0.000 1.106 28 H CA 2.550 58.203 56.048 -0.657 0.000 1.247 28 H CB 0.020 29.050 29.762 -1.220 0.000 1.359 28 H HN 0.003 nan 8.280 nan 0.000 0.488 29 K N -0.823 119.299 120.400 -0.463 0.000 2.031 29 K HA -0.049 4.263 4.320 -0.013 0.000 0.205 29 K C 2.310 178.747 176.600 -0.271 0.000 1.049 29 K CA 1.159 57.211 56.287 -0.392 0.000 0.939 29 K CB -0.186 32.129 32.500 -0.309 0.000 0.717 29 K HN 0.363 nan 8.250 nan 0.000 0.438 30 C N 0.588 119.768 119.300 -0.200 0.000 2.409 30 C HA -0.040 4.413 4.460 -0.013 0.000 0.288 30 C C 2.128 177.033 174.990 -0.141 0.000 1.395 30 C CA 0.645 59.584 59.018 -0.133 0.000 1.792 30 C CB -0.967 26.720 27.740 -0.088 0.000 1.847 30 C HN 0.383 nan 8.230 nan 0.000 0.534 31 R N -0.314 120.052 120.500 -0.224 0.000 2.334 31 R HA 0.247 4.580 4.340 -0.013 0.000 0.216 31 R C 0.084 176.266 176.300 -0.196 0.000 0.905 31 R CA -0.148 55.836 56.100 -0.193 0.000 1.064 31 R CB 0.047 30.145 30.300 -0.337 0.000 1.046 31 R HN 0.484 nan 8.270 nan 0.000 0.508 32 L N 1.689 122.759 121.223 -0.255 0.000 2.455 32 L HA 0.055 4.387 4.340 -0.013 0.000 0.272 32 L C -0.150 176.649 176.870 -0.118 0.000 1.174 32 L CA 0.247 54.956 54.840 -0.218 0.000 0.869 32 L CB 0.288 42.211 42.059 -0.227 0.000 1.130 32 L HN -0.075 nan 8.230 nan 0.000 0.474 33 D N 2.917 123.264 120.400 -0.088 0.000 2.629 33 D HA 0.261 4.894 4.640 -0.013 0.000 0.250 33 D C 0.719 176.991 176.300 -0.047 0.000 1.126 33 D CA -0.553 53.414 54.000 -0.055 0.000 0.852 33 D CB 1.705 42.483 40.800 -0.036 0.000 1.335 33 D HN 0.436 nan 8.370 nan 0.000 0.518 34 I N -0.299 120.246 120.570 -0.041 0.000 2.928 34 I HA 0.079 4.241 4.170 -0.013 0.000 0.266 34 I C 0.313 176.414 176.117 -0.027 0.000 1.234 34 I CA 0.517 61.797 61.300 -0.034 0.000 1.483 34 I CB 0.185 38.166 38.000 -0.031 0.000 1.097 34 I HN 0.048 nan 8.210 nan 0.000 0.455 35 D N 1.310 121.694 120.400 -0.028 0.000 2.342 35 D HA 0.073 4.705 4.640 -0.013 0.000 0.221 35 D C 0.544 176.831 176.300 -0.022 0.000 1.101 35 D CA 0.342 54.328 54.000 -0.024 0.000 0.837 35 D CB 0.544 41.329 40.800 -0.025 0.000 0.938 35 D HN 0.209 nan 8.370 nan 0.000 0.508 36 S N 0.927 116.613 115.700 -0.023 0.000 2.434 36 S HA 0.494 4.956 4.470 -0.013 0.000 0.318 36 S C 0.072 174.664 174.600 -0.013 0.000 1.062 36 S CA -0.666 57.524 58.200 -0.018 0.000 1.116 36 S CB 0.225 63.414 63.200 -0.020 0.000 0.977 36 S HN 0.191 nan 8.310 nan 0.000 0.480 37 A N 7.417 130.233 122.820 -0.008 0.000 2.511 37 A HA 0.479 4.791 4.320 -0.013 0.000 0.242 37 A C -1.947 175.636 177.584 -0.001 0.000 1.069 37 A CA -1.026 51.008 52.037 -0.004 0.000 0.763 37 A CB -0.211 18.789 19.000 0.001 0.000 1.001 37 A HN 0.688 nan 8.150 nan 0.000 0.498 38 P HA 0.230 nan 4.420 nan 0.000 0.273 38 P C 0.138 177.441 177.300 0.006 0.000 1.250 38 P CA -0.145 62.954 63.100 -0.001 0.000 0.793 38 P CB 0.345 32.037 31.700 -0.014 0.000 1.011 39 I N -2.587 117.987 120.570 0.007 0.000 3.322 39 I HA 0.186 4.348 4.170 -0.013 0.000 0.296 39 I C 1.284 177.417 176.117 0.027 0.000 1.101 39 I CA -0.491 60.818 61.300 0.016 0.000 1.166 39 I CB -0.569 37.433 38.000 0.004 0.000 1.475 39 I HN 0.146 nan 8.210 nan 0.000 0.665 40 T N 1.599 116.194 114.554 0.068 0.000 2.857 40 T HA 0.097 4.439 4.350 -0.013 0.000 0.266 40 T C 1.008 175.811 174.700 0.171 0.000 1.048 40 T CA 0.953 63.132 62.100 0.131 0.000 1.139 40 T CB -0.239 68.738 68.868 0.181 0.000 0.874 40 T HN 0.737 nan 8.240 nan 0.000 0.455 41 A N 1.908 124.747 122.820 0.031 0.000 2.445 41 A HA 0.447 4.759 4.320 -0.013 0.000 0.242 41 A C 0.549 178.099 177.584 -0.056 0.000 1.075 41 A CA -0.146 51.764 52.037 -0.211 0.000 0.777 41 A CB 0.218 18.749 19.000 -0.781 0.000 1.013 41 A HN 0.251 nan 8.150 nan 0.000 0.493 42 R N 2.152 122.678 120.500 0.043 0.000 2.388 42 R HA 0.206 4.538 4.340 -0.013 0.000 0.314 42 R C -0.655 175.710 176.300 0.110 0.000 0.959 42 R CA -0.587 55.555 56.100 0.069 0.000 0.851 42 R CB 0.724 31.101 30.300 0.128 0.000 1.168 42 R HN 0.880 nan 8.270 nan 0.000 0.472 43 N N 1.104 119.848 118.700 0.073 0.000 2.376 43 N HA -0.021 4.711 4.740 -0.013 0.000 0.177 43 N C -0.219 175.365 175.510 0.123 0.000 1.024 43 N CA 0.779 53.892 53.050 0.104 0.000 0.893 43 N CB 0.373 38.917 38.487 0.095 0.000 0.980 43 N HN 0.433 nan 8.380 nan 0.000 0.439 44 T N 0.851 115.465 114.554 0.100 0.000 2.761 44 T HA 0.385 4.727 4.350 -0.013 0.000 0.296 44 T C 0.746 175.504 174.700 0.097 0.000 0.934 44 T CA -0.584 61.569 62.100 0.088 0.000 1.091 44 T CB 1.299 70.203 68.868 0.061 0.000 0.896 44 T HN 0.096 nan 8.240 nan 0.000 0.515 45 G N 2.580 111.435 108.800 0.092 0.000 2.483 45 G HA2 0.506 4.458 3.960 -0.013 0.000 0.248 45 G HA3 0.506 4.458 3.960 -0.013 0.000 0.248 45 G C -0.443 174.486 174.900 0.048 0.000 1.248 45 G CA -0.515 44.633 45.100 0.080 0.000 0.838 45 G HN 0.752 nan 8.290 nan 0.000 0.566 46 I N 1.502 122.087 120.570 0.024 0.000 2.418 46 I HA 0.321 4.483 4.170 -0.013 0.000 0.287 46 I C -0.347 175.775 176.117 0.008 0.000 1.008 46 I CA -0.453 60.861 61.300 0.022 0.000 1.104 46 I CB 1.903 39.925 38.000 0.036 0.000 1.264 46 I HN 0.209 nan 8.210 nan 0.000 0.438 47 I N 5.705 126.296 120.570 0.034 0.000 2.378 47 I HA 0.380 4.542 4.170 -0.013 0.000 0.291 47 I C -0.753 175.408 176.117 0.073 0.000 0.992 47 I CA -0.401 60.940 61.300 0.069 0.000 1.154 47 I CB 1.498 39.569 38.000 0.119 0.000 1.315 47 I HN 0.514 nan 8.210 nan 0.000 0.448 48 C N 3.955 123.299 119.300 0.073 0.000 2.340 48 C HA 0.403 4.856 4.460 -0.013 0.000 0.323 48 C C 0.585 175.629 174.990 0.090 0.000 1.260 48 C CA -0.644 58.416 59.018 0.069 0.000 1.464 48 C CB 1.098 28.865 27.740 0.046 0.000 2.156 48 C HN 0.680 nan 8.230 nan 0.000 0.476 49 T N 5.087 119.701 114.554 0.100 0.000 2.834 49 T HA 0.290 4.632 4.350 -0.013 0.000 0.298 49 T C 0.256 175.014 174.700 0.098 0.000 0.966 49 T CA 0.037 62.206 62.100 0.115 0.000 1.141 49 T CB 0.049 68.989 68.868 0.121 0.000 0.905 49 T HN 0.349 nan 8.240 nan 0.000 0.535 50 I N 2.922 123.555 120.570 0.105 0.000 2.428 50 I HA 0.714 4.877 4.170 -0.013 0.000 0.296 50 I C 0.910 177.093 176.117 0.110 0.000 0.985 50 I CA -0.245 61.108 61.300 0.088 0.000 1.260 50 I CB 0.970 39.012 38.000 0.070 0.000 1.389 50 I HN 0.845 nan 8.210 nan 0.000 0.484 51 G N 6.232 115.087 108.800 0.092 0.000 2.578 51 G HA2 0.393 4.345 3.960 -0.013 0.000 0.302 51 G HA3 0.393 4.345 3.960 -0.013 0.000 0.302 51 G C -2.617 172.337 174.900 0.090 0.000 1.243 51 G CA -0.256 44.915 45.100 0.118 0.000 0.843 51 G HN 0.260 nan 8.290 nan 0.000 0.486 52 P HA 0.007 nan 4.420 nan 0.000 0.223 52 P C 1.423 178.740 177.300 0.029 0.000 1.144 52 P CA 1.754 64.892 63.100 0.064 0.000 0.783 52 P CB 0.150 31.874 31.700 0.041 0.000 0.771 53 A N -0.081 122.752 122.820 0.023 0.000 2.132 53 A HA 0.073 4.385 4.320 -0.013 0.000 0.213 53 A C 1.800 179.392 177.584 0.014 0.000 1.154 53 A CA 1.228 53.269 52.037 0.007 0.000 0.753 53 A CB -0.438 18.562 19.000 0.000 0.000 0.826 53 A HN 0.320 nan 8.150 nan 0.000 0.469 54 S N -1.150 114.565 115.700 0.025 0.000 2.893 54 S HA 0.103 4.566 4.470 -0.013 0.000 0.258 54 S C 1.106 175.718 174.600 0.020 0.000 1.034 54 S CA 0.020 58.235 58.200 0.026 0.000 1.167 54 S CB -0.204 63.017 63.200 0.035 0.000 1.137 54 S HN 0.693 nan 8.310 nan 0.000 0.650 55 R N 2.033 122.540 120.500 0.013 0.000 2.334 55 R HA 0.232 4.565 4.340 -0.013 0.000 0.220 55 R C 0.214 176.501 176.300 -0.022 0.000 0.917 55 R CA 0.277 56.369 56.100 -0.013 0.000 1.073 55 R CB -0.248 30.024 30.300 -0.046 0.000 1.056 55 R HN 0.355 nan 8.270 nan 0.000 0.506 56 S N -0.428 115.270 115.700 -0.005 0.000 2.562 56 S HA 0.185 4.648 4.470 -0.013 0.000 0.275 56 S C 1.433 176.034 174.600 0.003 0.000 1.281 56 S CA -0.876 57.321 58.200 -0.005 0.000 1.045 56 S CB 2.058 65.259 63.200 0.001 0.000 0.962 56 S HN -0.052 nan 8.310 nan 0.000 0.503 57 V N 2.261 122.174 119.914 -0.001 0.000 2.250 57 V HA -0.282 3.831 4.120 -0.013 0.000 0.253 57 V C 2.819 178.923 176.094 0.018 0.000 1.065 57 V CA 2.589 64.892 62.300 0.006 0.000 1.039 57 V CB -1.102 30.716 31.823 -0.007 0.000 0.647 57 V HN 1.093 nan 8.190 nan 0.000 0.446 58 E N -0.309 119.898 120.200 0.012 0.000 2.070 58 E HA -0.256 4.086 4.350 -0.013 0.000 0.197 58 E C 2.178 178.799 176.600 0.035 0.000 1.004 58 E CA 2.130 58.542 56.400 0.020 0.000 0.805 58 E CB -0.163 29.544 29.700 0.011 0.000 0.744 58 E HN 0.686 nan 8.360 nan 0.000 0.451 59 T N 1.186 115.758 114.554 0.029 0.000 2.904 59 T HA -0.035 4.307 4.350 -0.013 0.000 0.267 59 T C 1.921 176.647 174.700 0.044 0.000 1.059 59 T CA 0.651 62.771 62.100 0.033 0.000 1.137 59 T CB -0.049 68.833 68.868 0.023 0.000 0.879 59 T HN 0.131 nan 8.240 nan 0.000 0.467 60 L N 0.496 121.748 121.223 0.048 0.000 2.109 60 L HA -0.028 4.304 4.340 -0.013 0.000 0.207 60 L C 2.612 179.541 176.870 0.099 0.000 1.086 60 L CA 1.170 56.045 54.840 0.059 0.000 0.760 60 L CB -0.414 41.677 42.059 0.053 0.000 0.910 60 L HN 0.168 nan 8.230 nan 0.000 0.437 61 K N -0.097 120.385 120.400 0.137 0.000 2.034 61 K HA -0.219 4.093 4.320 -0.013 0.000 0.214 61 K C 2.041 178.749 176.600 0.179 0.000 1.051 61 K CA 1.510 57.953 56.287 0.260 0.000 0.931 61 K CB -0.194 32.442 32.500 0.225 0.000 0.715 61 K HN 0.246 nan 8.250 nan 0.000 0.446 62 E N 0.528 120.792 120.200 0.106 0.000 2.150 62 E HA -0.112 4.230 4.350 -0.013 0.000 0.193 62 E C 2.009 178.624 176.600 0.025 0.000 0.985 62 E CA 1.094 57.530 56.400 0.060 0.000 0.814 62 E CB -0.125 29.605 29.700 0.050 0.000 0.752 62 E HN 0.396 nan 8.360 nan 0.000 0.466 63 M N -0.004 119.613 119.600 0.029 0.000 2.175 63 M HA -0.101 4.371 4.480 -0.013 0.000 0.264 63 M C 2.352 178.637 176.300 -0.025 0.000 1.063 63 M CA 1.153 56.458 55.300 0.009 0.000 1.119 63 M CB -0.297 32.315 32.600 0.019 0.000 1.377 63 M HN 0.045 nan 8.290 nan 0.000 0.415 64 I N 0.168 120.723 120.570 -0.025 0.000 2.179 64 I HA -0.297 3.865 4.170 -0.013 0.000 0.242 64 I C 2.321 178.343 176.117 -0.157 0.000 1.088 64 I CA 1.467 62.711 61.300 -0.092 0.000 1.357 64 I CB -0.343 37.611 38.000 -0.077 0.000 1.051 64 I HN 0.227 nan 8.210 nan 0.000 0.409 65 K N 0.270 120.581 120.400 -0.148 0.000 2.147 65 K HA -0.110 4.203 4.320 -0.013 0.000 0.205 65 K C 2.211 178.727 176.600 -0.140 0.000 1.049 65 K CA 1.451 57.639 56.287 -0.165 0.000 0.936 65 K CB -0.080 32.362 32.500 -0.096 0.000 0.722 65 K HN 0.149 nan 8.250 nan 0.000 0.446 66 S N -1.246 114.393 115.700 -0.102 0.000 2.436 66 S HA 0.010 4.472 4.470 -0.013 0.000 0.228 66 S C 1.340 175.842 174.600 -0.163 0.000 1.014 66 S CA 1.115 59.251 58.200 -0.107 0.000 0.950 66 S CB 0.523 63.699 63.200 -0.040 0.000 0.784 66 S HN 0.627 nan 8.310 nan 0.000 0.504 67 G N 0.114 108.836 108.800 -0.131 0.000 3.578 67 G HA2 -0.081 3.871 3.960 -0.013 0.000 0.220 67 G HA3 -0.081 3.871 3.960 -0.013 0.000 0.220 67 G C 0.139 174.997 174.900 -0.069 0.000 0.933 67 G CA -0.338 44.698 45.100 -0.107 0.000 0.847 67 G HN 0.327 nan 8.290 nan 0.000 0.612 68 M N 1.649 121.205 119.600 -0.072 0.000 2.255 68 M HA 0.185 4.658 4.480 -0.013 0.000 0.356 68 M C 0.932 177.129 176.300 -0.172 0.000 1.338 68 M CA 1.212 56.462 55.300 -0.082 0.000 0.962 68 M CB 0.137 32.706 32.600 -0.052 0.000 1.877 68 M HN 0.314 nan 8.290 nan 0.000 0.463 69 N N 2.452 121.010 118.700 -0.237 0.000 2.445 69 N HA 0.194 4.927 4.740 -0.013 0.000 0.204 69 N C -1.070 174.186 175.510 -0.422 0.000 1.098 69 N CA -0.277 52.440 53.050 -0.556 0.000 0.859 69 N CB 1.011 39.071 38.487 -0.711 0.000 1.249 69 N HN 0.390 nan 8.380 nan 0.000 0.462 70 V N 0.862 120.676 119.914 -0.166 0.000 2.709 70 V HA 0.710 4.822 4.120 -0.013 0.000 0.308 70 V C -1.022 175.074 176.094 0.004 0.000 1.062 70 V CA -1.126 61.149 62.300 -0.041 0.000 0.901 70 V CB 1.684 33.539 31.823 0.054 0.000 1.003 70 V HN 0.100 nan 8.190 nan 0.000 0.425 71 A N 4.452 127.278 122.820 0.010 0.000 2.271 71 A HA 0.751 5.063 4.320 -0.013 0.000 0.317 71 A C -0.101 177.503 177.584 0.033 0.000 1.245 71 A CA -0.585 51.471 52.037 0.032 0.000 0.857 71 A CB 0.543 19.560 19.000 0.028 0.000 1.175 71 A HN 0.857 nan 8.150 nan 0.000 0.512 72 R N 3.585 124.133 120.500 0.080 0.000 2.265 72 R HA 0.496 4.828 4.340 -0.013 0.000 0.319 72 R C -0.938 175.433 176.300 0.119 0.000 1.006 72 R CA -0.568 55.587 56.100 0.091 0.000 0.880 72 R CB 0.503 30.942 30.300 0.232 0.000 1.077 72 R HN 0.620 nan 8.270 nan 0.000 0.454 73 M N 3.778 123.449 119.600 0.118 0.000 2.061 73 M HA 0.195 4.668 4.480 -0.013 0.000 0.346 73 M C -0.407 176.021 176.300 0.213 0.000 1.112 73 M CA -1.040 54.376 55.300 0.193 0.000 1.021 73 M CB 0.635 33.387 32.600 0.253 0.000 1.530 73 M HN 0.436 nan 8.290 nan 0.000 0.437 74 N N 2.662 121.489 118.700 0.212 0.000 2.439 74 N HA 0.169 4.901 4.740 -0.013 0.000 0.243 74 N C -0.416 175.177 175.510 0.138 0.000 1.088 74 N CA -0.074 53.103 53.050 0.212 0.000 0.940 74 N CB 0.156 38.780 38.487 0.228 0.000 1.180 74 N HN 0.399 nan 8.380 nan 0.000 0.505 75 F N 1.144 121.059 119.950 -0.059 0.000 2.731 75 F HA 0.117 4.636 4.527 -0.013 0.000 0.304 75 F C 2.002 177.791 175.800 -0.019 0.000 1.133 75 F CA 0.086 58.023 58.000 -0.106 0.000 1.380 75 F CB 0.162 39.066 39.000 -0.161 0.000 1.079 75 F HN 0.438 nan 8.300 nan 0.000 0.550 76 S N -1.393 114.336 115.700 0.049 0.000 2.481 76 S HA -0.054 4.409 4.470 -0.013 0.000 0.231 76 S C -0.000 174.295 174.600 -0.509 0.000 0.996 76 S CA 0.792 58.870 58.200 -0.204 0.000 0.942 76 S CB -0.392 62.631 63.200 -0.295 0.000 0.768 76 S HN 0.431 nan 8.310 nan 0.000 0.520 77 H N -1.406 117.733 119.070 0.115 0.000 2.977 77 H HA 0.596 5.144 4.556 -0.013 0.000 0.350 77 H C 0.148 175.518 175.328 0.069 0.000 1.238 77 H CA -0.354 55.728 56.048 0.055 0.000 1.124 77 H CB 0.998 30.760 29.762 -0.001 0.000 1.866 77 H HN 0.178 nan 8.280 nan 0.000 0.550 78 G N 0.673 109.491 108.800 0.030 0.000 2.767 78 G HA2 -0.015 3.937 3.960 -0.013 0.000 0.686 78 G HA3 -0.015 3.937 3.960 -0.013 0.000 0.686 78 G C 0.003 174.870 174.900 -0.056 0.000 1.213 78 G CA -0.455 44.504 45.100 -0.235 0.000 0.803 78 G HN 0.934 nan 8.290 nan 0.000 0.603 79 T N -0.702 113.813 114.554 -0.065 0.000 2.816 79 T HA 0.491 4.833 4.350 -0.013 0.000 0.282 79 T C 1.444 176.223 174.700 0.133 0.000 0.993 79 T CA 0.533 62.660 62.100 0.045 0.000 0.994 79 T CB 1.054 69.931 68.868 0.016 0.000 1.025 79 T HN 0.682 nan 8.240 nan 0.000 0.529 80 H N 0.465 119.466 119.070 -0.114 0.000 2.357 80 H HA -0.150 4.399 4.556 -0.013 0.000 0.296 80 H C 2.147 177.461 175.328 -0.023 0.000 1.108 80 H CA 1.849 57.699 56.048 -0.330 0.000 1.273 80 H CB 0.131 29.621 29.762 -0.454 0.000 1.367 80 H HN 0.707 nan 8.280 nan 0.000 0.498 81 E N 0.397 120.700 120.200 0.171 0.000 2.049 81 E HA -0.227 4.115 4.350 -0.013 0.000 0.198 81 E C 2.002 178.680 176.600 0.129 0.000 1.007 81 E CA 1.402 57.895 56.400 0.156 0.000 0.809 81 E CB -0.540 29.228 29.700 0.112 0.000 0.749 81 E HN 0.521 nan 8.360 nan 0.000 0.450 82 Y N 0.559 120.830 120.300 -0.048 0.000 2.181 82 Y HA -0.241 4.302 4.550 -0.013 0.000 0.288 82 Y C 2.250 178.052 175.900 -0.164 0.000 1.146 82 Y CA 1.840 59.854 58.100 -0.143 0.000 1.164 82 Y CB -0.026 38.279 38.460 -0.259 0.000 0.982 82 Y HN 0.192 nan 8.280 nan 0.000 0.515 83 H N -0.706 118.379 119.070 0.025 0.000 2.428 83 H HA 0.004 4.552 4.556 -0.013 0.000 0.296 83 H C 2.319 177.711 175.328 0.107 0.000 1.062 83 H CA 1.071 57.100 56.048 -0.031 0.000 1.350 83 H CB -0.494 29.153 29.762 -0.192 0.000 1.403 83 H HN 0.513 nan 8.280 nan 0.000 0.533 84 A N 1.072 124.098 122.820 0.344 0.000 1.902 84 A HA -0.195 4.117 4.320 -0.013 0.000 0.217 84 A C 2.375 180.018 177.584 0.100 0.000 1.181 84 A CA 1.738 53.956 52.037 0.302 0.000 0.623 84 A CB -0.379 18.839 19.000 0.363 0.000 0.818 84 A HN 0.505 nan 8.150 nan 0.000 0.443 85 E N -0.646 119.560 120.200 0.010 0.000 2.077 85 E HA -0.154 4.189 4.350 -0.013 0.000 0.193 85 E C 1.941 178.482 176.600 -0.097 0.000 0.989 85 E CA 1.685 58.049 56.400 -0.060 0.000 0.800 85 E CB -0.207 29.422 29.700 -0.119 0.000 0.746 85 E HN 0.533 nan 8.360 nan 0.000 0.452 86 T N 1.248 115.699 114.554 -0.171 0.000 2.652 86 T HA -0.168 4.174 4.350 -0.013 0.000 0.267 86 T C 1.903 176.588 174.700 -0.025 0.000 1.039 86 T CA 1.564 63.581 62.100 -0.138 0.000 1.153 86 T CB -0.312 68.453 68.868 -0.172 0.000 0.863 86 T HN 0.175 nan 8.240 nan 0.000 0.428 87 I N 0.946 121.534 120.570 0.030 0.000 2.113 87 I HA -0.269 3.893 4.170 -0.013 0.000 0.242 87 I C 2.717 178.848 176.117 0.023 0.000 1.064 87 I CA 1.542 62.869 61.300 0.046 0.000 1.320 87 I CB -0.327 37.716 38.000 0.072 0.000 1.028 87 I HN 0.187 nan 8.210 nan 0.000 0.406 88 K N 0.708 121.117 120.400 0.015 0.000 2.057 88 K HA -0.217 4.095 4.320 -0.013 0.000 0.207 88 K C 1.865 178.468 176.600 0.005 0.000 1.049 88 K CA 1.716 58.008 56.287 0.009 0.000 0.931 88 K CB -0.108 32.396 32.500 0.006 0.000 0.714 88 K HN 0.281 nan 8.250 nan 0.000 0.440 89 N N 0.583 119.278 118.700 -0.008 0.000 2.166 89 N HA -0.133 4.599 4.740 -0.013 0.000 0.186 89 N C 1.746 177.263 175.510 0.013 0.000 1.019 89 N CA 0.923 53.969 53.050 -0.008 0.000 0.856 89 N CB -0.324 38.146 38.487 -0.029 0.000 0.993 89 N HN -0.014 nan 8.380 nan 0.000 0.426 90 V N 1.202 121.128 119.914 0.020 0.000 2.427 90 V HA -0.149 3.964 4.120 -0.013 0.000 0.248 90 V C 2.216 178.345 176.094 0.057 0.000 1.051 90 V CA 1.464 63.787 62.300 0.039 0.000 1.048 90 V CB -0.268 31.577 31.823 0.037 0.000 0.666 90 V HN 0.293 nan 8.190 nan 0.000 0.456 91 R N -0.534 119.997 120.500 0.051 0.000 2.093 91 R HA -0.078 4.255 4.340 -0.013 0.000 0.224 91 R C 2.377 178.716 176.300 0.064 0.000 1.101 91 R CA 1.643 57.784 56.100 0.068 0.000 0.979 91 R CB -0.686 29.645 30.300 0.052 0.000 0.877 91 R HN 0.460 nan 8.270 nan 0.000 0.441 92 T N 1.172 115.748 114.554 0.035 0.000 2.720 92 T HA -0.158 4.184 4.350 -0.013 0.000 0.268 92 T C 1.935 176.642 174.700 0.011 0.000 1.037 92 T CA 1.584 63.693 62.100 0.015 0.000 1.144 92 T CB -0.158 68.709 68.868 -0.001 0.000 0.864 92 T HN 0.370 nan 8.240 nan 0.000 0.444 93 A N 0.959 123.801 122.820 0.036 0.000 1.930 93 A HA -0.025 4.287 4.320 -0.013 0.000 0.215 93 A C 2.540 180.218 177.584 0.157 0.000 1.176 93 A CA 1.618 53.688 52.037 0.055 0.000 0.632 93 A CB -0.936 18.117 19.000 0.088 0.000 0.819 93 A HN 0.446 nan 8.150 nan 0.000 0.445 94 T N 0.101 114.772 114.554 0.194 0.000 2.777 94 T HA -0.074 4.268 4.350 -0.013 0.000 0.266 94 T C 1.639 176.584 174.700 0.409 0.000 1.040 94 T CA 1.405 63.691 62.100 0.310 0.000 1.141 94 T CB -0.154 68.844 68.868 0.218 0.000 0.868 94 T HN 0.421 nan 8.240 nan 0.000 0.444 95 E N 1.550 121.884 120.200 0.224 0.000 2.358 95 E HA -0.013 4.330 4.350 -0.013 0.000 0.195 95 E C 2.424 179.035 176.600 0.020 0.000 1.010 95 E CA 0.546 57.029 56.400 0.138 0.000 0.856 95 E CB -0.407 29.330 29.700 0.061 0.000 0.795 95 E HN 0.620 nan 8.360 nan 0.000 0.504 96 S N -0.147 115.490 115.700 -0.105 0.000 2.493 96 S HA -0.112 4.350 4.470 -0.013 0.000 0.243 96 S C 1.208 175.498 174.600 -0.515 0.000 0.991 96 S CA 0.637 58.619 58.200 -0.364 0.000 0.957 96 S CB -0.398 62.468 63.200 -0.557 0.000 0.756 96 S HN 0.144 nan 8.310 nan 0.000 0.521 97 F N 0.375 120.395 119.950 0.118 0.000 2.688 97 F HA 0.626 5.145 4.527 -0.012 0.000 0.310 97 F C 2.095 177.987 175.800 0.153 0.000 1.098 97 F CA -0.448 57.643 58.000 0.152 0.000 1.228 97 F CB -0.272 38.847 39.000 0.199 0.000 1.042 97 F HN 0.235 nan 8.300 nan 0.000 0.557 98 A N -0.353 122.534 122.820 0.111 0.000 1.972 98 A HA -0.133 4.179 4.320 -0.013 0.000 0.219 98 A C 2.321 179.821 177.584 -0.140 0.000 1.169 98 A CA 2.012 53.906 52.037 -0.238 0.000 0.635 98 A CB -0.744 18.083 19.000 -0.289 0.000 0.810 98 A HN 0.258 nan 8.150 nan 0.000 0.446 99 S N -0.339 115.341 115.700 -0.033 0.000 2.423 99 S HA -0.075 4.388 4.470 -0.013 0.000 0.231 99 S C 0.674 175.280 174.600 0.009 0.000 1.014 99 S CA 0.835 59.022 58.200 -0.021 0.000 0.965 99 S CB -0.183 63.011 63.200 -0.009 0.000 0.785 99 S HN 0.649 nan 8.310 nan 0.000 0.495 100 D N 1.242 121.677 120.400 0.058 0.000 2.412 100 D HA 0.220 4.852 4.640 -0.013 0.000 0.224 100 D C -1.658 174.701 176.300 0.098 0.000 1.093 100 D CA -2.405 51.641 54.000 0.076 0.000 0.850 100 D CB 1.477 42.338 40.800 0.101 0.000 1.046 100 D HN 0.048 nan 8.370 nan 0.000 0.507 101 P HA -0.071 nan 4.420 nan 0.000 0.225 101 P C 1.446 178.810 177.300 0.106 0.000 1.156 101 P CA 0.243 63.390 63.100 0.079 0.000 0.787 101 P CB 0.580 32.302 31.700 0.038 0.000 0.802 102 I N -0.825 119.793 120.570 0.080 0.000 2.546 102 I HA -0.060 4.102 4.170 -0.013 0.000 0.255 102 I C 2.314 178.476 176.117 0.074 0.000 1.163 102 I CA 1.044 62.382 61.300 0.064 0.000 1.457 102 I CB -1.097 36.920 38.000 0.028 0.000 1.092 102 I HN 0.004 nan 8.210 nan 0.000 0.434 103 L N -1.409 119.870 121.223 0.094 0.000 2.575 103 L HA 0.084 4.416 4.340 -0.013 0.000 0.228 103 L C 0.651 177.578 176.870 0.094 0.000 1.075 103 L CA -0.234 54.651 54.840 0.075 0.000 0.867 103 L CB -0.093 41.991 42.059 0.042 0.000 1.097 103 L HN 0.048 nan 8.230 nan 0.000 0.485 104 Y N 3.316 123.634 120.300 0.031 0.000 2.881 104 Y HA -0.100 4.443 4.550 -0.012 0.000 0.335 104 Y C 0.231 176.119 175.900 -0.021 0.000 1.263 104 Y CA -0.005 58.112 58.100 0.029 0.000 1.572 104 Y CB 0.188 38.671 38.460 0.038 0.000 1.237 104 Y HN -0.012 nan 8.280 nan 0.000 0.568 105 R N 8.204 128.288 120.500 -0.692 0.000 2.310 105 R HA 0.365 4.697 4.340 -0.013 0.000 0.324 105 R C -2.638 173.088 176.300 -0.957 0.000 0.955 105 R CA -2.703 53.004 56.100 -0.656 0.000 0.830 105 R CB 0.630 30.691 30.300 -0.399 0.000 1.154 105 R HN 0.502 nan 8.270 nan 0.000 0.458 106 P HA 0.094 nan 4.420 nan 0.000 0.270 106 P C -0.480 176.794 177.300 -0.043 0.000 1.223 106 P CA -0.199 62.695 63.100 -0.342 0.000 0.785 106 P CB 0.822 32.455 31.700 -0.111 0.000 0.923 107 V N 0.999 120.920 119.914 0.011 0.000 2.569 107 V HA 0.506 4.618 4.120 -0.013 0.000 0.301 107 V C 0.245 176.379 176.094 0.067 0.000 1.044 107 V CA -0.908 61.393 62.300 0.002 0.000 0.874 107 V CB 1.552 33.358 31.823 -0.029 0.000 1.002 107 V HN 0.757 nan 8.190 nan 0.000 0.424 108 A N 4.441 127.313 122.820 0.087 0.000 2.322 108 A HA 0.798 5.110 4.320 -0.013 0.000 0.269 108 A C -0.362 177.236 177.584 0.023 0.000 1.094 108 A CA -0.372 51.714 52.037 0.083 0.000 0.807 108 A CB 0.987 20.061 19.000 0.122 0.000 1.047 108 A HN 0.753 nan 8.150 nan 0.000 0.487 109 V N 1.150 121.064 119.914 0.001 0.000 2.398 109 V HA 0.614 4.727 4.120 -0.013 0.000 0.286 109 V C 0.449 176.479 176.094 -0.107 0.000 1.026 109 V CA -0.139 62.144 62.300 -0.029 0.000 0.868 109 V CB 1.073 32.889 31.823 -0.012 0.000 0.982 109 V HN 1.143 nan 8.190 nan 0.000 0.443 110 A N 5.317 128.030 122.820 -0.178 0.000 2.318 110 A HA 0.831 5.143 4.320 -0.013 0.000 0.324 110 A C -0.901 176.471 177.584 -0.353 0.000 1.170 110 A CA -0.546 51.224 52.037 -0.446 0.000 0.810 110 A CB 1.149 19.645 19.000 -0.839 0.000 1.198 110 A HN 0.883 nan 8.150 nan 0.000 0.484 111 L N 2.748 123.740 121.223 -0.386 0.000 2.276 111 L HA 0.382 4.714 4.340 -0.013 0.000 0.286 111 L C -0.856 175.879 176.870 -0.223 0.000 1.024 111 L CA -0.484 54.215 54.840 -0.235 0.000 0.826 111 L CB 0.886 42.770 42.059 -0.291 0.000 1.211 111 L HN 0.732 nan 8.230 nan 0.000 0.422 112 D N 4.191 124.578 120.400 -0.022 0.000 2.373 112 D HA 0.155 4.788 4.640 -0.013 0.000 0.227 112 D C -0.110 176.257 176.300 0.111 0.000 1.091 112 D CA -0.202 53.867 54.000 0.115 0.000 0.840 112 D CB 1.378 42.330 40.800 0.253 0.000 1.060 112 D HN 0.578 nan 8.370 nan 0.000 0.502 113 T N 0.923 115.501 114.554 0.040 0.000 2.860 113 T HA 0.120 4.462 4.350 -0.013 0.000 0.299 113 T C 1.271 176.031 174.700 0.099 0.000 1.045 113 T CA -0.463 61.654 62.100 0.028 0.000 1.071 113 T CB 2.110 70.972 68.868 -0.009 0.000 0.985 113 T HN 0.423 nan 8.240 nan 0.000 0.537 114 K N 1.487 121.959 120.400 0.121 0.000 2.007 114 K HA 0.216 4.528 4.320 -0.013 0.000 0.206 114 K C 1.303 178.012 176.600 0.181 0.000 1.047 114 K CA 1.101 57.466 56.287 0.130 0.000 0.937 114 K CB -1.081 31.485 32.500 0.109 0.000 0.718 114 K HN 1.139 nan 8.250 nan 0.000 0.438 115 G N 0.471 109.361 108.800 0.149 0.000 2.698 115 G HA2 -0.215 3.738 3.960 -0.013 0.000 0.233 115 G HA3 -0.215 3.738 3.960 -0.013 0.000 0.233 115 G C -2.376 172.594 174.900 0.116 0.000 1.352 115 G CA -0.124 45.087 45.100 0.186 0.000 0.879 115 G HN 0.304 nan 8.290 nan 0.000 0.567 116 P HA 0.225 nan 4.420 nan 0.000 0.225 116 P C 0.040 177.119 177.300 -0.368 0.000 1.768 116 P CA 0.202 63.200 63.100 -0.170 0.000 0.943 116 P CB -0.272 31.300 31.700 -0.213 0.000 1.936 117 E N 0.894 120.976 120.200 -0.196 0.000 2.383 117 E HA 0.236 4.578 4.350 -0.013 0.000 0.264 117 E C 0.150 176.633 176.600 -0.194 0.000 1.050 117 E CA -0.397 55.886 56.400 -0.195 0.000 0.896 117 E CB 0.769 30.475 29.700 0.009 0.000 0.982 117 E HN 0.328 nan 8.360 nan 0.000 0.424 118 I N 3.308 123.761 120.570 -0.194 0.000 2.330 118 I HA 0.306 4.468 4.170 -0.013 0.000 0.289 118 I C 0.281 176.375 176.117 -0.039 0.000 1.001 118 I CA -0.378 60.847 61.300 -0.124 0.000 1.193 118 I CB 0.887 38.804 38.000 -0.138 0.000 1.345 118 I HN 0.208 nan 8.210 nan 0.000 0.461 119 R N 3.182 123.678 120.500 -0.007 0.000 2.832 119 R HA 0.591 4.923 4.340 -0.013 0.000 0.271 119 R C 0.088 176.421 176.300 0.054 0.000 0.996 119 R CA -0.733 55.396 56.100 0.049 0.000 0.977 119 R CB 2.407 32.760 30.300 0.088 0.000 1.168 119 R HN 0.719 nan 8.270 nan 0.000 0.482 120 T N -1.582 113.034 114.554 0.103 0.000 2.793 120 T HA 0.459 4.802 4.350 -0.013 0.000 0.299 120 T C 0.801 175.678 174.700 0.295 0.000 1.038 120 T CA -0.379 61.816 62.100 0.158 0.000 0.948 120 T CB 0.984 69.937 68.868 0.142 0.000 1.231 120 T HN 0.594 nan 8.240 nan 0.000 0.538 121 G N -0.713 108.314 108.800 0.378 0.000 2.857 121 G HA2 0.596 4.548 3.960 -0.013 0.000 0.217 121 G HA3 0.596 4.548 3.960 -0.013 0.000 0.217 121 G C -0.908 174.102 174.900 0.184 0.000 1.357 121 G CA -1.105 44.202 45.100 0.345 0.000 1.033 121 G HN 0.662 nan 8.290 nan 0.000 0.571 122 L N 0.011 121.302 121.223 0.113 0.000 2.454 122 L HA 0.423 4.755 4.340 -0.013 0.000 0.256 122 L C 0.529 177.442 176.870 0.071 0.000 1.136 122 L CA -0.420 54.463 54.840 0.072 0.000 0.804 122 L CB 0.931 43.009 42.059 0.031 0.000 1.181 122 L HN 0.230 nan 8.230 nan 0.000 0.469 130 E N -1.042 119.201 120.200 0.071 0.000 2.413 130 E HA 0.631 4.974 4.350 -0.013 0.000 0.277 130 E C -1.774 174.909 176.600 0.139 0.000 0.958 130 E CA -0.763 55.706 56.400 0.115 0.000 0.779 130 E CB 2.667 32.450 29.700 0.138 0.000 1.278 130 E HN 0.518 nan 8.360 nan 0.000 0.456 131 V N 1.155 121.158 119.914 0.149 0.000 2.962 131 V HA 0.282 4.394 4.120 -0.013 0.000 0.313 131 V C -0.896 175.227 176.094 0.048 0.000 1.099 131 V CA -0.680 61.679 62.300 0.099 0.000 0.971 131 V CB 2.213 34.067 31.823 0.052 0.000 1.028 131 V HN 0.647 nan 8.190 nan 0.000 0.430 132 E N 2.996 123.145 120.200 -0.084 0.000 2.175 132 E HA 0.579 4.922 4.350 -0.013 0.000 0.278 132 E C -1.575 174.893 176.600 -0.221 0.000 0.969 132 E CA -0.566 55.622 56.400 -0.354 0.000 0.796 132 E CB 1.272 30.628 29.700 -0.573 0.000 1.104 132 E HN 0.548 nan 8.360 nan 0.000 0.395 133 L N 5.363 126.456 121.223 -0.218 0.000 2.295 133 L HA 0.406 4.739 4.340 -0.013 0.000 0.281 133 L C -0.058 176.727 176.870 -0.141 0.000 1.018 133 L CA -0.725 54.036 54.840 -0.131 0.000 0.841 133 L CB 1.058 43.070 42.059 -0.078 0.000 1.218 133 L HN 0.330 nan 8.230 nan 0.000 0.424 134 K N 2.267 122.596 120.400 -0.117 0.000 2.218 134 K HA 0.224 4.537 4.320 -0.013 0.000 0.276 134 K C -0.134 176.426 176.600 -0.066 0.000 1.022 134 K CA -0.997 55.231 56.287 -0.098 0.000 0.946 134 K CB 1.305 33.755 32.500 -0.084 0.000 1.000 134 K HN 0.247 nan 8.250 nan 0.000 0.468 135 K N 1.035 121.402 120.400 -0.055 0.000 2.473 135 K HA -0.139 4.173 4.320 -0.013 0.000 0.277 135 K C 0.849 177.428 176.600 -0.035 0.000 1.052 135 K CA 1.584 57.847 56.287 -0.039 0.000 1.114 135 K CB -0.496 31.987 32.500 -0.029 0.000 0.869 135 K HN 0.787 nan 8.250 nan 0.000 0.481 136 G N 2.317 111.097 108.800 -0.033 0.000 2.336 136 G HA2 -0.296 3.656 3.960 -0.013 0.000 0.233 136 G HA3 -0.296 3.656 3.960 -0.013 0.000 0.233 136 G C 0.233 175.116 174.900 -0.029 0.000 1.053 136 G CA 0.015 45.098 45.100 -0.028 0.000 0.625 136 G HN 1.098 nan 8.290 nan 0.000 0.511 137 A N 1.148 123.948 122.820 -0.034 0.000 2.451 137 A HA 0.607 4.920 4.320 -0.013 0.000 0.266 137 A C 0.841 178.406 177.584 -0.031 0.000 1.119 137 A CA 1.429 53.446 52.037 -0.033 0.000 0.786 137 A CB 0.149 19.125 19.000 -0.040 0.000 1.061 137 A HN 1.541 nan 8.150 nan 0.000 0.503 138 T N 1.988 116.527 114.554 -0.025 0.000 2.946 138 T HA 0.314 4.657 4.350 -0.013 0.000 0.311 138 T C -0.303 174.384 174.700 -0.021 0.000 1.063 138 T CA 0.432 62.520 62.100 -0.020 0.000 1.139 138 T CB -0.271 68.589 68.868 -0.013 0.000 0.994 138 T HN 0.880 nan 8.240 nan 0.000 0.547 139 L N 3.743 124.956 121.223 -0.016 0.000 2.409 139 L HA 0.653 4.985 4.340 -0.013 0.000 0.262 139 L C -0.842 176.029 176.870 0.002 0.000 0.992 139 L CA -0.626 54.206 54.840 -0.013 0.000 0.817 139 L CB 2.057 44.107 42.059 -0.015 0.000 1.350 139 L HN 0.691 nan 8.230 nan 0.000 0.411 140 K N 5.427 125.829 120.400 0.003 0.000 2.389 140 K HA 0.485 4.798 4.320 -0.013 0.000 0.261 140 K C -1.170 175.455 176.600 0.042 0.000 1.014 140 K CA -0.496 55.807 56.287 0.027 0.000 0.920 140 K CB 0.628 33.121 32.500 -0.010 0.000 1.149 140 K HN 0.717 nan 8.250 nan 0.000 0.444 141 I N 3.473 124.081 120.570 0.063 0.000 2.471 141 I HA 0.041 4.204 4.170 -0.013 0.000 0.286 141 I C 0.570 176.751 176.117 0.106 0.000 1.079 141 I CA 0.161 61.496 61.300 0.057 0.000 1.398 141 I CB 1.320 39.330 38.000 0.015 0.000 1.403 141 I HN 0.591 nan 8.210 nan 0.000 0.530 142 T N 6.032 120.657 114.554 0.118 0.000 2.906 142 T HA 0.625 4.968 4.350 -0.013 0.000 0.295 142 T C 0.306 175.112 174.700 0.177 0.000 1.075 142 T CA -0.595 61.624 62.100 0.198 0.000 1.005 142 T CB 1.385 70.402 68.868 0.249 0.000 1.136 142 T HN 0.503 nan 8.240 nan 0.000 0.498 143 L N 0.934 122.293 121.223 0.226 0.000 2.920 143 L HA 0.405 4.738 4.340 -0.013 0.000 0.257 143 L C 0.475 177.643 176.870 0.497 0.000 1.150 143 L CA -0.405 54.540 54.840 0.174 0.000 0.959 143 L CB 0.312 42.387 42.059 0.027 0.000 1.321 143 L HN 0.537 nan 8.230 nan 0.000 0.555 144 D N 1.877 122.545 120.400 0.447 0.000 2.455 144 D HA -0.098 4.535 4.640 -0.013 0.000 0.265 144 D C 0.940 177.366 176.300 0.209 0.000 1.284 144 D CA 0.466 54.645 54.000 0.298 0.000 0.944 144 D CB 0.351 41.326 40.800 0.291 0.000 1.121 144 D HN 0.097 nan 8.370 nan 0.000 0.525 145 N N 2.930 121.700 118.700 0.117 0.000 2.635 145 N HA -0.126 4.606 4.740 -0.013 0.000 0.191 145 N C 1.142 176.422 175.510 -0.384 0.000 1.155 145 N CA 0.414 53.383 53.050 -0.135 0.000 0.927 145 N CB 0.261 38.746 38.487 -0.003 0.000 0.976 145 N HN 0.471 nan 8.380 nan 0.000 0.448 146 A N -0.172 122.389 122.820 -0.432 0.000 2.067 146 A HA -0.071 4.241 4.320 -0.013 0.000 0.217 146 A C 0.895 178.126 177.584 -0.588 0.000 1.156 146 A CA 0.750 52.454 52.037 -0.556 0.000 0.683 146 A CB -0.251 18.330 19.000 -0.698 0.000 0.808 146 A HN 0.254 nan 8.150 nan 0.000 0.455 147 Y N -1.041 119.110 120.300 -0.249 0.000 2.468 147 Y HA 0.285 4.827 4.550 -0.013 0.000 0.268 147 Y C 1.856 177.536 175.900 -0.367 0.000 1.177 147 Y CA -0.429 57.551 58.100 -0.200 0.000 1.265 147 Y CB -0.731 37.715 38.460 -0.025 0.000 1.103 147 Y HN 0.185 nan 8.280 nan 0.000 0.522 148 M N -0.128 119.057 119.600 -0.692 0.000 2.192 148 M HA -0.285 4.187 4.480 -0.013 0.000 0.256 148 M C 0.750 176.859 176.300 -0.317 0.000 1.076 148 M CA 2.061 56.796 55.300 -0.943 0.000 1.075 148 M CB -0.113 31.929 32.600 -0.929 0.000 1.368 148 M HN 0.265 nan 8.290 nan 0.000 0.406 149 E N -1.077 119.013 120.200 -0.183 0.000 2.693 149 E HA 0.102 4.444 4.350 -0.013 0.000 0.214 149 E C -0.145 176.454 176.600 -0.002 0.000 0.990 149 E CA -0.021 56.340 56.400 -0.066 0.000 1.047 149 E CB 0.586 30.240 29.700 -0.077 0.000 1.039 149 E HN 0.266 nan 8.360 nan 0.000 0.475 150 K N 0.520 120.944 120.400 0.041 0.000 3.084 150 K HA 0.273 4.586 4.320 -0.013 0.000 0.210 150 K C -0.905 175.751 176.600 0.092 0.000 1.137 150 K CA -0.314 56.027 56.287 0.089 0.000 1.010 150 K CB 0.497 33.099 32.500 0.171 0.000 0.806 150 K HN 0.039 nan 8.250 nan 0.000 0.460 151 C N 2.123 121.477 119.300 0.090 0.000 2.536 151 C HA 0.386 4.839 4.460 -0.013 0.000 0.396 151 C C 0.483 175.506 174.990 0.054 0.000 1.279 151 C CA -0.562 58.510 59.018 0.090 0.000 2.148 151 C CB -0.214 27.604 27.740 0.131 0.000 2.584 151 C HN 0.691 nan 8.230 nan 0.000 0.579 152 D N 0.784 121.204 120.400 0.032 0.000 3.236 152 D HA 0.138 4.771 4.640 -0.013 0.000 0.325 152 D C 0.634 176.937 176.300 0.006 0.000 1.352 152 D CA -0.516 53.496 54.000 0.019 0.000 0.979 152 D CB -0.115 40.689 40.800 0.007 0.000 1.410 152 D HN 0.467 nan 8.370 nan 0.000 0.588 153 E N 0.189 120.384 120.200 -0.007 0.000 2.418 153 E HA -0.083 4.260 4.350 -0.013 0.000 0.197 153 E C 0.083 176.667 176.600 -0.027 0.000 1.026 153 E CA 0.952 57.339 56.400 -0.022 0.000 0.862 153 E CB -0.506 29.174 29.700 -0.034 0.000 0.799 153 E HN 0.508 nan 8.360 nan 0.000 0.518 154 N N 0.196 118.878 118.700 -0.030 0.000 2.499 154 N HA 0.206 4.938 4.740 -0.013 0.000 0.182 154 N C 0.139 175.620 175.510 -0.049 0.000 1.034 154 N CA 0.284 53.309 53.050 -0.042 0.000 0.882 154 N CB 0.497 38.952 38.487 -0.054 0.000 1.125 154 N HN 0.066 nan 8.380 nan 0.000 0.436 155 I N 1.353 121.891 120.570 -0.054 0.000 2.389 155 I HA 0.348 4.510 4.170 -0.013 0.000 0.288 155 I C -1.396 174.726 176.117 0.009 0.000 0.999 155 I CA -0.857 60.401 61.300 -0.069 0.000 1.129 155 I CB 1.897 39.786 38.000 -0.185 0.000 1.288 155 I HN -0.048 nan 8.210 nan 0.000 0.444 156 L N 7.126 128.379 121.223 0.050 0.000 2.372 156 L HA 0.533 4.866 4.340 -0.013 0.000 0.274 156 L C -1.640 175.343 176.870 0.187 0.000 0.988 156 L CA -0.300 54.606 54.840 0.110 0.000 0.833 156 L CB 1.432 43.532 42.059 0.067 0.000 1.236 156 L HN 0.681 nan 8.230 nan 0.000 0.410 157 W N 7.483 128.820 121.300 0.061 0.000 2.478 157 W HA 0.660 5.313 4.660 -0.012 0.000 0.318 157 W C -1.479 175.088 176.519 0.080 0.000 1.062 157 W CA -0.705 56.693 57.345 0.087 0.000 1.210 157 W CB 1.362 30.896 29.460 0.125 0.000 1.325 157 W HN 0.516 nan 8.180 nan 0.000 0.496 158 L N 2.890 123.701 121.223 -0.686 0.000 2.333 158 L HA 0.605 4.937 4.340 -0.013 0.000 0.263 158 L C 0.188 176.214 176.870 -1.407 0.000 1.014 158 L CA -0.842 53.551 54.840 -0.745 0.000 0.820 158 L CB 1.666 43.552 42.059 -0.288 0.000 1.352 158 L HN 0.500 nan 8.230 nan 0.000 0.421 159 D N -1.347 118.551 120.400 -0.837 0.000 2.336 159 D HA 0.009 4.641 4.640 -0.013 0.000 0.228 159 D C -0.272 175.935 176.300 -0.155 0.000 1.120 159 D CA 0.160 53.830 54.000 -0.551 0.000 0.839 159 D CB -0.294 40.474 40.800 -0.053 0.000 0.932 159 D HN 0.487 nan 8.370 nan 0.000 0.509 160 Y N 2.064 122.173 120.300 -0.318 0.000 2.595 160 Y HA 0.285 4.827 4.550 -0.012 0.000 0.336 160 Y C 0.867 176.672 175.900 -0.157 0.000 0.996 160 Y CA -1.581 56.408 58.100 -0.184 0.000 1.260 160 Y CB 0.789 39.153 38.460 -0.160 0.000 1.108 160 Y HN -0.306 nan 8.280 nan 0.000 0.509 161 K N 2.772 123.070 120.400 -0.170 0.000 2.097 161 K HA -0.105 4.208 4.320 -0.013 0.000 0.206 161 K C 0.490 176.876 176.600 -0.357 0.000 1.049 161 K CA 1.066 57.233 56.287 -0.201 0.000 0.933 161 K CB 0.028 32.495 32.500 -0.055 0.000 0.717 161 K HN 0.559 nan 8.250 nan 0.000 0.442 162 N N 1.283 119.634 118.700 -0.581 0.000 2.322 162 N HA 0.082 4.815 4.740 -0.013 0.000 0.216 162 N C 1.233 176.286 175.510 -0.761 0.000 1.144 162 N CA -0.018 52.716 53.050 -0.528 0.000 0.830 162 N CB -0.170 38.148 38.487 -0.282 0.000 1.034 162 N HN 0.164 nan 8.380 nan 0.000 0.484 163 I N -0.428 119.558 120.570 -0.973 0.000 2.248 163 I HA -0.384 3.779 4.170 -0.013 0.000 0.248 163 I C 1.208 177.162 176.117 -0.270 0.000 1.107 163 I CA 1.147 62.077 61.300 -0.617 0.000 1.373 163 I CB 0.151 37.950 38.000 -0.335 0.000 1.055 163 I HN 0.212 nan 8.210 nan 0.000 0.418 164 C N 1.210 120.363 119.300 -0.244 0.000 2.450 164 C HA -0.070 4.383 4.460 -0.013 0.000 0.279 164 C C 2.370 177.282 174.990 -0.130 0.000 1.335 164 C CA 0.411 59.328 59.018 -0.169 0.000 1.749 164 C CB -0.914 26.726 27.740 -0.168 0.000 1.963 164 C HN 0.466 nan 8.230 nan 0.000 0.501 165 K N 0.845 121.168 120.400 -0.129 0.000 2.486 165 K HA 0.078 4.390 4.320 -0.013 0.000 0.194 165 K C 1.267 177.839 176.600 -0.048 0.000 1.033 165 K CA 0.771 57.010 56.287 -0.080 0.000 1.004 165 K CB -0.267 32.191 32.500 -0.071 0.000 0.798 165 K HN 0.445 nan 8.250 nan 0.000 0.495 166 V N 0.778 120.667 119.914 -0.041 0.000 3.604 166 V HA 0.031 4.144 4.120 -0.013 0.000 0.277 166 V C 0.594 176.692 176.094 0.007 0.000 1.399 166 V CA -0.110 62.196 62.300 0.009 0.000 1.034 166 V CB 0.999 32.871 31.823 0.080 0.000 0.824 166 V HN 0.105 nan 8.190 nan 0.000 0.439 167 V N -2.777 117.125 119.914 -0.018 0.000 2.769 167 V HA 0.674 4.786 4.120 -0.013 0.000 0.312 167 V C -0.744 175.328 176.094 -0.036 0.000 1.058 167 V CA -0.693 61.596 62.300 -0.020 0.000 0.952 167 V CB 2.147 33.957 31.823 -0.022 0.000 1.019 167 V HN 0.103 nan 8.190 nan 0.000 0.445 168 D N 0.995 121.377 120.400 -0.031 0.000 2.487 168 D HA 0.457 5.090 4.640 -0.013 0.000 0.262 168 D C -0.667 175.607 176.300 -0.043 0.000 1.130 168 D CA -0.375 53.604 54.000 -0.035 0.000 1.038 168 D CB 2.318 43.104 40.800 -0.024 0.000 1.142 168 D HN 0.496 nan 8.370 nan 0.000 0.575 169 V N 0.682 120.571 119.914 -0.041 0.000 2.397 169 V HA 0.399 4.512 4.120 -0.013 0.000 0.262 169 V C 1.180 177.255 176.094 -0.032 0.000 1.047 169 V CA 0.899 63.175 62.300 -0.040 0.000 1.003 169 V CB 0.166 31.966 31.823 -0.038 0.000 1.037 169 V HN 0.964 nan 8.190 nan 0.000 0.480 170 G N 3.544 112.324 108.800 -0.033 0.000 2.175 170 G HA2 -0.190 3.763 3.960 -0.013 0.000 0.182 170 G HA3 -0.190 3.763 3.960 -0.013 0.000 0.182 170 G C 0.288 175.171 174.900 -0.029 0.000 1.003 170 G CA 0.004 45.086 45.100 -0.029 0.000 0.666 170 G HN 0.651 nan 8.290 nan 0.000 0.506 171 S N 0.519 116.201 115.700 -0.031 0.000 2.593 171 S HA 0.517 4.980 4.470 -0.013 0.000 0.269 171 S C 0.417 174.991 174.600 -0.043 0.000 1.334 171 S CA 0.053 58.238 58.200 -0.025 0.000 1.015 171 S CB 1.150 64.338 63.200 -0.020 0.000 0.912 171 S HN 0.420 nan 8.310 nan 0.000 0.541 172 K N 1.080 121.456 120.400 -0.039 0.000 2.207 172 K HA 0.601 4.913 4.320 -0.013 0.000 0.255 172 K C -1.374 175.163 176.600 -0.105 0.000 0.941 172 K CA -0.679 55.537 56.287 -0.118 0.000 0.825 172 K CB 1.726 34.131 32.500 -0.159 0.000 1.119 172 K HN 0.273 nan 8.250 nan 0.000 0.430 173 V N 3.483 123.282 119.914 -0.192 0.000 2.444 173 V HA 0.296 4.408 4.120 -0.013 0.000 0.294 173 V C -1.224 174.747 176.094 -0.204 0.000 1.022 173 V CA -0.941 61.299 62.300 -0.101 0.000 0.850 173 V CB 0.709 32.500 31.823 -0.053 0.000 0.992 173 V HN 0.602 nan 8.190 nan 0.000 0.426 174 Y N 3.185 123.491 120.300 0.010 0.000 2.330 174 Y HA 0.665 5.208 4.550 -0.012 0.000 0.336 174 Y C 0.149 176.063 175.900 0.023 0.000 1.036 174 Y CA -0.646 57.465 58.100 0.017 0.000 1.125 174 Y CB 1.958 40.430 38.460 0.021 0.000 1.194 174 Y HN 0.388 nan 8.280 nan 0.000 0.469 175 V N 2.571 122.578 119.914 0.155 0.000 2.680 175 V HA 0.328 4.440 4.120 -0.013 0.000 0.309 175 V C -0.717 175.450 176.094 0.122 0.000 1.052 175 V CA -1.145 61.223 62.300 0.114 0.000 0.908 175 V CB 1.687 33.553 31.823 0.071 0.000 1.001 175 V HN 0.829 nan 8.190 nan 0.000 0.431 176 D N 3.723 124.190 120.400 0.112 0.000 3.729 176 D HA -0.157 4.476 4.640 -0.013 0.000 0.242 176 D C 0.390 176.753 176.300 0.106 0.000 1.091 176 D CA 0.936 55.000 54.000 0.107 0.000 1.096 176 D CB -0.718 40.143 40.800 0.103 0.000 0.901 176 D HN 0.898 nan 8.370 nan 0.000 0.416 177 D N 1.099 121.560 120.400 0.101 0.000 2.860 177 D HA -0.211 4.421 4.640 -0.013 0.000 0.229 177 D C 1.312 177.657 176.300 0.075 0.000 1.169 177 D CA 2.245 56.296 54.000 0.084 0.000 0.737 177 D CB -1.410 39.435 40.800 0.075 0.000 1.080 177 D HN 1.239 nan 8.370 nan 0.000 0.424 178 G N -1.038 107.827 108.800 0.108 0.000 2.179 178 G HA2 -0.396 3.556 3.960 -0.013 0.000 0.260 178 G HA3 -0.396 3.556 3.960 -0.013 0.000 0.260 178 G C 1.154 176.167 174.900 0.189 0.000 0.977 178 G CA 0.544 45.725 45.100 0.136 0.000 0.641 178 G HN 0.479 nan 8.290 nan 0.000 0.533 179 L N -0.240 121.067 121.223 0.140 0.000 2.046 179 L HA 0.213 4.545 4.340 -0.013 0.000 0.208 179 L C 1.684 178.630 176.870 0.127 0.000 1.077 179 L CA 1.097 56.010 54.840 0.122 0.000 0.747 179 L CB -0.137 41.983 42.059 0.101 0.000 0.896 179 L HN 0.340 nan 8.230 nan 0.000 0.432 180 I N -0.587 120.056 120.570 0.122 0.000 2.385 180 I HA 0.174 4.336 4.170 -0.013 0.000 0.294 180 I C 0.141 176.284 176.117 0.044 0.000 0.988 180 I CA -0.190 61.152 61.300 0.070 0.000 1.265 180 I CB 1.610 39.639 38.000 0.049 0.000 1.388 180 I HN 0.045 nan 8.210 nan 0.000 0.480 181 S N 7.018 122.682 115.700 -0.061 0.000 2.548 181 S HA 0.861 5.323 4.470 -0.013 0.000 0.286 181 S C -1.069 173.398 174.600 -0.221 0.000 1.098 181 S CA -0.792 57.241 58.200 -0.279 0.000 0.930 181 S CB 1.763 64.702 63.200 -0.435 0.000 1.070 181 S HN 0.487 nan 8.310 nan 0.000 0.480 182 L N 1.569 122.630 121.223 -0.270 0.000 2.422 182 L HA 0.613 4.946 4.340 -0.013 0.000 0.264 182 L C -0.637 176.135 176.870 -0.163 0.000 0.984 182 L CA -0.687 54.055 54.840 -0.163 0.000 0.819 182 L CB 2.298 44.293 42.059 -0.107 0.000 1.330 182 L HN 0.795 nan 8.230 nan 0.000 0.410 183 Q N 1.355 121.090 119.800 -0.108 0.000 2.322 183 Q HA 0.494 4.826 4.340 -0.013 0.000 0.265 183 Q C -1.287 174.678 176.000 -0.060 0.000 0.985 183 Q CA -0.693 55.059 55.803 -0.085 0.000 0.849 183 Q CB 2.218 30.915 28.738 -0.069 0.000 1.274 183 Q HN 0.496 nan 8.270 nan 0.000 0.449 184 V N 5.804 125.684 119.914 -0.056 0.000 2.446 184 V HA 0.013 4.125 4.120 -0.013 0.000 0.276 184 V C 0.751 176.820 176.094 -0.043 0.000 1.030 184 V CA 0.315 62.586 62.300 -0.049 0.000 1.033 184 V CB 0.808 32.598 31.823 -0.055 0.000 0.993 184 V HN 0.835 nan 8.190 nan 0.000 0.477 185 K N 3.207 123.587 120.400 -0.033 0.000 2.214 185 K HA 0.236 4.549 4.320 -0.013 0.000 0.201 185 K C 0.599 177.182 176.600 -0.029 0.000 1.049 185 K CA 0.559 56.831 56.287 -0.025 0.000 0.978 185 K CB 0.623 33.116 32.500 -0.012 0.000 0.842 185 K HN 0.698 nan 8.250 nan 0.000 0.474 186 Q N -0.226 119.552 119.800 -0.036 0.000 2.565 186 Q HA 0.258 4.591 4.340 -0.013 0.000 0.294 186 Q C -1.133 174.766 176.000 -0.169 0.000 1.005 186 Q CA -0.691 55.075 55.803 -0.062 0.000 0.771 186 Q CB 2.126 30.862 28.738 -0.004 0.000 1.486 186 Q HN -0.152 nan 8.270 nan 0.000 0.422 191 F N -0.805 119.135 119.950 -0.017 0.000 2.713 191 F HA 0.710 5.230 4.527 -0.013 0.000 0.311 191 F C -2.291 173.492 175.800 -0.028 0.000 1.141 191 F CA -1.109 56.883 58.000 -0.013 0.000 0.939 191 F CB 1.192 40.197 39.000 0.008 0.000 1.325 191 F HN -0.244 nan 8.300 nan 0.000 0.453 192 L N 2.994 124.255 121.223 0.063 0.000 2.410 192 L HA 0.716 5.048 4.340 -0.013 0.000 0.270 192 L C -1.145 175.805 176.870 0.133 0.000 0.983 192 L CA -1.333 53.485 54.840 -0.037 0.000 0.822 192 L CB 2.037 44.062 42.059 -0.056 0.000 1.285 192 L HN 0.760 nan 8.230 nan 0.000 0.409 193 V N 2.873 122.853 119.914 0.109 0.000 2.347 193 V HA 0.629 4.742 4.120 -0.013 0.000 0.280 193 V C 0.127 176.241 176.094 0.033 0.000 1.021 193 V CA 0.079 62.448 62.300 0.115 0.000 0.847 193 V CB 1.663 33.587 31.823 0.169 0.000 0.990 193 V HN 0.908 nan 8.190 nan 0.000 0.444 194 T N 2.757 117.320 114.554 0.016 0.000 2.940 194 T HA 0.644 4.987 4.350 -0.013 0.000 0.288 194 T C -0.526 174.164 174.700 -0.017 0.000 1.045 194 T CA -0.677 61.415 62.100 -0.013 0.000 1.018 194 T CB 1.987 70.839 68.868 -0.028 0.000 1.151 194 T HN 0.805 nan 8.240 nan 0.000 0.529 195 E N 0.834 121.016 120.200 -0.030 0.000 2.199 195 E HA 0.520 4.862 4.350 -0.013 0.000 0.269 195 E C -1.069 175.503 176.600 -0.046 0.000 0.899 195 E CA -1.021 55.359 56.400 -0.033 0.000 0.772 195 E CB 1.986 31.669 29.700 -0.029 0.000 1.155 195 E HN 0.560 nan 8.360 nan 0.000 0.408 196 V N 4.799 124.686 119.914 -0.044 0.000 2.479 196 V HA 0.010 4.122 4.120 -0.013 0.000 0.281 196 V C 0.964 177.027 176.094 -0.052 0.000 1.031 196 V CA 0.487 62.756 62.300 -0.052 0.000 1.038 196 V CB 0.961 32.755 31.823 -0.049 0.000 0.981 196 V HN 0.839 nan 8.190 nan 0.000 0.478 197 E N 2.996 123.157 120.200 -0.065 0.000 2.110 197 E HA 0.115 4.457 4.350 -0.013 0.000 0.193 197 E C 0.207 176.784 176.600 -0.039 0.000 0.950 197 E CA 0.315 56.681 56.400 -0.057 0.000 0.840 197 E CB 0.316 29.968 29.700 -0.081 0.000 0.809 197 E HN 0.631 nan 8.360 nan 0.000 0.465 198 N N 0.863 119.538 118.700 -0.041 0.000 2.407 198 N HA 0.249 4.981 4.740 -0.013 0.000 0.277 198 N C -0.326 175.176 175.510 -0.014 0.000 0.995 198 N CA -0.060 52.983 53.050 -0.011 0.000 0.903 198 N CB 2.018 40.517 38.487 0.021 0.000 1.218 198 N HN 0.032 nan 8.380 nan 0.000 0.487 199 G N 0.052 108.842 108.800 -0.016 0.000 2.525 199 G HA2 0.744 4.696 3.960 -0.013 0.000 0.287 199 G HA3 0.744 4.696 3.960 -0.013 0.000 0.287 199 G C 0.085 174.975 174.900 -0.017 0.000 1.350 199 G CA -0.142 44.936 45.100 -0.035 0.000 1.039 199 G HN 0.664 nan 8.290 nan 0.000 0.513 200 G N -2.397 106.366 108.800 -0.062 0.000 2.343 200 G HA2 0.382 4.334 3.960 -0.013 0.000 0.289 200 G HA3 0.382 4.334 3.960 -0.013 0.000 0.289 200 G C -1.601 173.234 174.900 -0.108 0.000 1.295 200 G CA -1.042 44.053 45.100 -0.008 0.000 0.869 200 G HN 0.488 nan 8.290 nan 0.000 0.522 201 F N -0.037 119.929 119.950 0.026 0.000 2.408 201 F HA 0.635 5.155 4.527 -0.013 0.000 0.344 201 F C 0.456 176.275 175.800 0.031 0.000 1.112 201 F CA -0.538 57.477 58.000 0.025 0.000 1.096 201 F CB 1.902 40.916 39.000 0.023 0.000 1.129 201 F HN 0.364 nan 8.300 nan 0.000 0.486 202 L N 4.045 125.371 121.223 0.172 0.000 2.265 202 L HA 0.684 5.016 4.340 -0.013 0.000 0.289 202 L C 0.138 177.084 176.870 0.128 0.000 1.033 202 L CA 0.143 55.055 54.840 0.120 0.000 0.814 202 L CB 0.491 42.594 42.059 0.072 0.000 1.203 202 L HN 0.628 nan 8.230 nan 0.000 0.423 203 G N 2.690 111.559 108.800 0.115 0.000 2.537 203 G HA2 0.469 4.421 3.960 -0.013 0.000 0.297 203 G HA3 0.469 4.421 3.960 -0.013 0.000 0.297 203 G C -0.798 174.157 174.900 0.093 0.000 1.310 203 G CA -0.669 44.488 45.100 0.096 0.000 1.027 203 G HN 0.622 nan 8.290 nan 0.000 0.505 204 S N -0.156 115.593 115.700 0.081 0.000 2.565 204 S HA 0.279 4.742 4.470 -0.013 0.000 0.274 204 S C -0.005 174.658 174.600 0.104 0.000 1.309 204 S CA -0.453 57.801 58.200 0.090 0.000 1.043 204 S CB 0.958 64.199 63.200 0.068 0.000 0.939 204 S HN 0.589 nan 8.310 nan 0.000 0.504 205 K N 0.341 120.820 120.400 0.132 0.000 3.311 205 K HA -0.175 4.137 4.320 -0.013 0.000 0.270 205 K C -0.698 175.992 176.600 0.149 0.000 0.927 205 K CA 0.521 56.899 56.287 0.152 0.000 0.706 205 K CB -1.252 31.345 32.500 0.161 0.000 1.418 205 K HN 0.320 nan 8.250 nan 0.000 0.459 206 K N 0.717 121.195 120.400 0.130 0.000 2.110 206 K HA 0.308 4.620 4.320 -0.013 0.000 0.263 206 K C 0.878 177.544 176.600 0.111 0.000 0.975 206 K CA -0.229 56.131 56.287 0.121 0.000 0.895 206 K CB 1.434 33.999 32.500 0.108 0.000 1.060 206 K HN 0.342 nan 8.250 nan 0.000 0.448 207 G N 0.482 109.349 108.800 0.112 0.000 2.527 207 G HA2 0.365 4.317 3.960 -0.013 0.000 0.248 207 G HA3 0.365 4.317 3.960 -0.013 0.000 0.248 207 G C -0.682 174.267 174.900 0.082 0.000 1.231 207 G CA -0.392 44.765 45.100 0.095 0.000 0.838 207 G HN 0.248 nan 8.290 nan 0.000 0.570 208 V N 2.199 122.144 119.914 0.053 0.000 2.540 208 V HA 0.369 4.482 4.120 -0.013 0.000 0.302 208 V C -0.618 175.498 176.094 0.037 0.000 1.035 208 V CA -0.967 61.365 62.300 0.053 0.000 0.873 208 V CB 2.006 33.844 31.823 0.025 0.000 0.992 208 V HN 0.802 nan 8.190 nan 0.000 0.428 209 N N 3.889 122.644 118.700 0.091 0.000 2.319 209 N HA 0.716 5.448 4.740 -0.013 0.000 0.305 209 N C -0.995 174.586 175.510 0.118 0.000 1.103 209 N CA -0.619 52.475 53.050 0.074 0.000 0.815 209 N CB 2.138 40.669 38.487 0.072 0.000 1.288 209 N HN 0.532 nan 8.380 nan 0.000 0.493 210 L N 1.688 122.947 121.223 0.061 0.000 2.637 210 L HA 0.443 4.775 4.340 -0.013 0.000 0.241 210 L C -2.405 174.505 176.870 0.067 0.000 1.398 210 L CA -1.655 53.231 54.840 0.077 0.000 0.895 210 L CB 0.684 42.771 42.059 0.048 0.000 1.183 210 L HN 0.266 nan 8.230 nan 0.000 0.497 211 P HA 0.086 nan 4.420 nan 0.000 0.267 211 P C 1.126 178.449 177.300 0.039 0.000 1.200 211 P CA 0.771 63.903 63.100 0.053 0.000 0.772 211 P CB 0.906 32.638 31.700 0.054 0.000 0.855 212 G N 0.735 109.539 108.800 0.006 0.000 2.353 212 G HA2 -0.270 3.683 3.960 -0.013 0.000 0.258 212 G HA3 -0.270 3.683 3.960 -0.013 0.000 0.258 212 G C 0.467 175.376 174.900 0.016 0.000 1.013 212 G CA 0.263 45.361 45.100 -0.004 0.000 0.622 212 G HN 0.901 nan 8.290 nan 0.000 0.535 213 A N 0.236 123.072 122.820 0.026 0.000 2.327 213 A HA 0.825 5.137 4.320 -0.013 0.000 0.283 213 A C 0.612 178.214 177.584 0.030 0.000 1.127 213 A CA 0.898 52.953 52.037 0.031 0.000 0.810 213 A CB 1.032 20.057 19.000 0.043 0.000 1.066 213 A HN 1.989 nan 8.150 nan 0.000 0.492 214 A N 2.994 125.834 122.820 0.034 0.000 2.774 214 A HA 0.524 4.836 4.320 -0.013 0.000 0.326 214 A C 0.067 177.669 177.584 0.029 0.000 1.478 214 A CA -0.396 51.658 52.037 0.029 0.000 1.099 214 A CB -0.606 18.413 19.000 0.032 0.000 1.148 214 A HN 0.862 nan 8.150 nan 0.000 0.519 215 V N 2.717 122.625 119.914 -0.009 0.000 2.673 215 V HA 0.034 4.146 4.120 -0.013 0.000 0.303 215 V C 0.841 176.914 176.094 -0.036 0.000 1.046 215 V CA 0.775 63.041 62.300 -0.056 0.000 1.126 215 V CB 0.777 32.452 31.823 -0.247 0.000 0.934 215 V HN 0.926 nan 8.190 nan 0.000 0.487 216 D N 3.306 123.730 120.400 0.039 0.000 2.538 216 D HA 0.153 4.785 4.640 -0.013 0.000 0.231 216 D C 0.174 176.499 176.300 0.040 0.000 1.229 216 D CA -0.354 53.677 54.000 0.052 0.000 0.828 216 D CB 0.037 40.891 40.800 0.089 0.000 1.035 216 D HN 0.408 nan 8.370 nan 0.000 0.495 217 L N 1.235 122.423 121.223 -0.059 0.000 2.473 217 L HA 0.249 4.581 4.340 -0.013 0.000 0.268 217 L C -1.578 175.271 176.870 -0.036 0.000 1.215 217 L CA -1.422 53.382 54.840 -0.061 0.000 0.823 217 L CB 0.075 42.012 42.059 -0.204 0.000 1.099 217 L HN -0.070 nan 8.230 nan 0.000 0.483 218 P HA 0.034 nan 4.420 nan 0.000 0.271 218 P C -0.040 177.261 177.300 0.002 0.000 1.216 218 P CA -0.255 62.848 63.100 0.005 0.000 0.776 218 P CB 1.064 32.774 31.700 0.017 0.000 0.881 219 A N 3.401 126.229 122.820 0.014 0.000 1.940 219 A HA -0.035 4.277 4.320 -0.013 0.000 0.219 219 A C 0.945 178.550 177.584 0.036 0.000 1.176 219 A CA 1.408 53.464 52.037 0.030 0.000 0.631 219 A CB -0.504 18.516 19.000 0.033 0.000 0.814 219 A HN 0.445 nan 8.150 nan 0.000 0.446 220 V N 1.181 121.112 119.914 0.029 0.000 2.380 220 V HA 0.375 4.488 4.120 -0.013 0.000 0.286 220 V C 0.118 176.229 176.094 0.029 0.000 1.015 220 V CA -0.289 62.028 62.300 0.029 0.000 0.834 220 V CB 1.139 32.977 31.823 0.025 0.000 1.009 220 V HN 0.522 nan 8.190 nan 0.000 0.428 221 S N 3.236 118.955 115.700 0.032 0.000 2.681 221 S HA 0.397 4.860 4.470 -0.013 0.000 0.270 221 S C 0.943 175.567 174.600 0.039 0.000 1.209 221 S CA -0.554 57.667 58.200 0.034 0.000 0.988 221 S CB 1.343 64.564 63.200 0.036 0.000 1.006 221 S HN 0.570 nan 8.310 nan 0.000 0.558 222 E N 1.024 121.248 120.200 0.040 0.000 2.058 222 E HA -0.164 4.179 4.350 -0.013 0.000 0.194 222 E C 1.814 178.444 176.600 0.051 0.000 0.997 222 E CA 1.296 57.721 56.400 0.042 0.000 0.801 222 E CB -0.472 29.251 29.700 0.038 0.000 0.746 222 E HN 0.724 nan 8.360 nan 0.000 0.450 223 K N 0.614 121.047 120.400 0.055 0.000 2.020 223 K HA -0.197 4.116 4.320 -0.013 0.000 0.212 223 K C 1.668 178.319 176.600 0.085 0.000 1.050 223 K CA 1.798 58.128 56.287 0.073 0.000 0.929 223 K CB -0.076 32.470 32.500 0.076 0.000 0.714 223 K HN -0.013 nan 8.250 nan 0.000 0.443 224 D N 0.768 121.206 120.400 0.062 0.000 2.116 224 D HA -0.197 4.435 4.640 -0.013 0.000 0.193 224 D C 1.937 178.253 176.300 0.026 0.000 0.998 224 D CA 1.369 55.392 54.000 0.037 0.000 0.836 224 D CB -0.358 40.461 40.800 0.032 0.000 0.951 224 D HN 0.313 nan 8.370 nan 0.000 0.449 225 I N 0.736 121.329 120.570 0.038 0.000 2.264 225 I HA -0.271 3.892 4.170 -0.013 0.000 0.248 225 I C 2.358 178.513 176.117 0.064 0.000 1.111 225 I CA 1.014 62.337 61.300 0.039 0.000 1.382 225 I CB -0.192 37.832 38.000 0.040 0.000 1.060 225 I HN -0.039 nan 8.210 nan 0.000 0.418 226 Q N 0.300 120.158 119.800 0.097 0.000 2.172 226 Q HA -0.146 4.187 4.340 -0.013 0.000 0.200 226 Q C 1.764 177.912 176.000 0.247 0.000 0.964 226 Q CA 1.251 57.158 55.803 0.173 0.000 0.855 226 Q CB -0.350 28.483 28.738 0.158 0.000 0.918 226 Q HN 0.502 nan 8.270 nan 0.000 0.444 227 D N 0.493 120.984 120.400 0.151 0.000 2.117 227 D HA -0.078 4.555 4.640 -0.013 0.000 0.198 227 D C 2.129 178.332 176.300 -0.162 0.000 0.982 227 D CA 0.655 54.618 54.000 -0.062 0.000 0.828 227 D CB -0.139 40.560 40.800 -0.168 0.000 0.967 227 D HN 0.159 nan 8.370 nan 0.000 0.464 228 L N 0.608 121.775 121.223 -0.093 0.000 1.994 228 L HA -0.159 4.173 4.340 -0.013 0.000 0.208 228 L C 2.369 179.217 176.870 -0.037 0.000 1.071 228 L CA 1.257 56.043 54.840 -0.091 0.000 0.745 228 L CB -0.299 41.726 42.059 -0.056 0.000 0.892 228 L HN -0.054 nan 8.230 nan 0.000 0.431 229 K N -0.427 119.987 120.400 0.023 0.000 2.044 229 K HA -0.270 4.043 4.320 -0.013 0.000 0.210 229 K C 2.073 178.707 176.600 0.056 0.000 1.049 229 K CA 2.082 58.397 56.287 0.046 0.000 0.927 229 K CB -0.518 32.033 32.500 0.085 0.000 0.713 229 K HN 0.106 nan 8.250 nan 0.000 0.443 230 F N 1.479 121.390 119.950 -0.064 0.000 2.120 230 F HA -0.214 4.306 4.527 -0.013 0.000 0.300 230 F C 2.112 177.830 175.800 -0.137 0.000 1.095 230 F CA 1.942 59.875 58.000 -0.112 0.000 1.249 230 F CB -0.721 38.095 39.000 -0.306 0.000 0.995 230 F HN 0.051 nan 8.300 nan 0.000 0.480 231 G N 0.084 108.802 108.800 -0.137 0.000 2.440 231 G HA2 -0.245 3.708 3.960 -0.013 0.000 0.218 231 G HA3 -0.245 3.708 3.960 -0.013 0.000 0.218 231 G C 1.722 176.496 174.900 -0.210 0.000 1.154 231 G CA 1.318 46.283 45.100 -0.225 0.000 0.767 231 G HN 0.377 nan 8.290 nan 0.000 0.552 232 V N 1.028 120.856 119.914 -0.144 0.000 2.233 232 V HA -0.178 3.934 4.120 -0.013 0.000 0.247 232 V C 2.789 178.802 176.094 -0.134 0.000 1.050 232 V CA 2.176 64.412 62.300 -0.108 0.000 1.010 232 V CB -0.448 31.338 31.823 -0.061 0.000 0.637 232 V HN 0.309 nan 8.190 nan 0.000 0.444 233 E N -0.209 119.895 120.200 -0.161 0.000 2.265 233 E HA -0.172 4.171 4.350 -0.013 0.000 0.196 233 E C 2.143 178.598 176.600 -0.242 0.000 0.996 233 E CA 0.762 57.062 56.400 -0.167 0.000 0.832 233 E CB -0.285 29.338 29.700 -0.128 0.000 0.756 233 E HN 0.592 nan 8.360 nan 0.000 0.491 234 Q N 0.442 120.014 119.800 -0.379 0.000 2.403 234 Q HA -0.024 4.308 4.340 -0.013 0.000 0.203 234 Q C -0.165 175.721 176.000 -0.191 0.000 0.932 234 Q CA 0.175 55.767 55.803 -0.352 0.000 0.945 234 Q CB 0.033 28.433 28.738 -0.562 0.000 1.045 234 Q HN 0.160 nan 8.270 nan 0.000 0.511 235 D N 0.340 120.649 120.400 -0.152 0.000 2.689 235 D HA -0.149 4.483 4.640 -0.013 0.000 0.237 235 D C -0.180 176.073 176.300 -0.077 0.000 1.148 235 D CA 0.560 54.505 54.000 -0.092 0.000 0.656 235 D CB -1.242 39.521 40.800 -0.062 0.000 1.050 235 D HN 0.153 nan 8.370 nan 0.000 0.426 236 V N -2.536 117.317 119.914 -0.102 0.000 3.096 236 V HA 0.238 4.351 4.120 -0.013 0.000 0.306 236 V C 1.367 177.422 176.094 -0.065 0.000 1.088 236 V CA 0.423 62.670 62.300 -0.088 0.000 1.129 236 V CB 1.230 32.980 31.823 -0.121 0.000 1.014 236 V HN 0.076 nan 8.190 nan 0.000 0.486 237 D N 2.327 122.695 120.400 -0.054 0.000 2.346 237 D HA 0.199 4.831 4.640 -0.013 0.000 0.206 237 D C 0.571 176.850 176.300 -0.036 0.000 1.001 237 D CA 1.248 55.235 54.000 -0.022 0.000 0.871 237 D CB 0.599 41.408 40.800 0.015 0.000 0.943 237 D HN 0.835 nan 8.370 nan 0.000 0.518 238 M N -1.387 118.155 119.600 -0.097 0.000 2.490 238 M HA 0.375 4.847 4.480 -0.013 0.000 0.286 238 M C -2.151 174.016 176.300 -0.221 0.000 1.185 238 M CA -0.809 54.426 55.300 -0.110 0.000 0.912 238 M CB 2.554 35.122 32.600 -0.054 0.000 1.744 238 M HN -0.427 nan 8.290 nan 0.000 0.494 239 V N 2.917 122.752 119.914 -0.132 0.000 2.417 239 V HA 0.538 4.651 4.120 -0.013 0.000 0.291 239 V C -1.115 175.014 176.094 0.057 0.000 1.024 239 V CA -0.333 61.886 62.300 -0.134 0.000 0.861 239 V CB 1.665 33.438 31.823 -0.083 0.000 0.985 239 V HN 0.680 nan 8.190 nan 0.000 0.436 240 F N 3.623 123.544 119.950 -0.048 0.000 2.368 240 F HA 0.586 5.105 4.527 -0.012 0.000 0.362 240 F C 0.764 176.528 175.800 -0.060 0.000 1.137 240 F CA -1.511 56.459 58.000 -0.050 0.000 1.161 240 F CB 0.725 39.703 39.000 -0.036 0.000 1.265 240 F HN 0.510 nan 8.300 nan 0.000 0.530 241 A N 2.901 125.789 122.820 0.114 0.000 2.310 241 A HA 0.493 4.806 4.320 -0.013 0.000 0.300 241 A C 0.454 178.037 177.584 -0.001 0.000 1.269 241 A CA -0.364 51.696 52.037 0.038 0.000 0.909 241 A CB -0.136 18.873 19.000 0.015 0.000 1.144 241 A HN 0.580 nan 8.150 nan 0.000 0.540 242 S N 1.597 117.291 115.700 -0.010 0.000 2.549 242 S HA 0.395 4.857 4.470 -0.013 0.000 0.279 242 S C -0.037 174.563 174.600 -0.000 0.000 1.321 242 S CA 0.028 58.147 58.200 -0.135 0.000 1.054 242 S CB -0.372 62.754 63.200 -0.124 0.000 0.899 242 S HN 0.795 nan 8.310 nan 0.000 0.497 243 F N -0.341 119.609 119.950 -0.001 0.000 3.091 243 F HA -0.168 4.352 4.527 -0.012 0.000 0.288 243 F C 0.305 176.099 175.800 -0.010 0.000 0.907 243 F CA -0.267 57.727 58.000 -0.009 0.000 1.028 243 F CB -1.791 37.197 39.000 -0.020 0.000 1.022 243 F HN 0.419 nan 8.300 nan 0.000 0.665 244 I N 0.860 121.486 120.570 0.092 0.000 2.618 244 I HA -0.009 4.153 4.170 -0.013 0.000 0.284 244 I C 1.486 177.638 176.117 0.059 0.000 1.146 244 I CA 0.662 61.995 61.300 0.056 0.000 1.425 244 I CB 0.976 38.980 38.000 0.007 0.000 1.383 244 I HN 0.357 nan 8.210 nan 0.000 0.562 245 R N 4.633 125.162 120.500 0.048 0.000 2.394 245 R HA 0.172 4.505 4.340 -0.013 0.000 0.220 245 R C -0.274 176.035 176.300 0.016 0.000 0.887 245 R CA 0.139 56.263 56.100 0.039 0.000 1.034 245 R CB 0.677 31.001 30.300 0.041 0.000 1.179 245 R HN 0.652 nan 8.270 nan 0.000 0.561 246 K N -2.586 117.818 120.400 0.006 0.000 2.642 246 K HA 0.441 4.753 4.320 -0.013 0.000 0.290 246 K C -0.144 176.451 176.600 -0.008 0.000 1.006 246 K CA -0.276 56.010 56.287 -0.002 0.000 0.869 246 K CB 0.939 33.446 32.500 0.011 0.000 1.499 246 K HN -0.155 nan 8.250 nan 0.000 0.403 247 A N 1.016 123.835 122.820 -0.002 0.000 1.948 247 A HA -0.175 4.137 4.320 -0.013 0.000 0.220 247 A C 2.197 179.848 177.584 0.111 0.000 1.177 247 A CA 2.541 54.594 52.037 0.027 0.000 0.636 247 A CB -1.065 17.984 19.000 0.082 0.000 0.815 247 A HN 0.844 nan 8.150 nan 0.000 0.449 248 A N -0.176 122.707 122.820 0.105 0.000 1.969 248 A HA -0.135 4.177 4.320 -0.013 0.000 0.218 248 A C 1.717 179.350 177.584 0.081 0.000 1.169 248 A CA 1.769 53.876 52.037 0.117 0.000 0.635 248 A CB -0.500 18.538 19.000 0.063 0.000 0.810 248 A HN 0.477 nan 8.150 nan 0.000 0.445 249 D N 0.087 120.510 120.400 0.039 0.000 2.092 249 D HA -0.129 4.503 4.640 -0.013 0.000 0.193 249 D C 2.110 178.406 176.300 -0.006 0.000 0.994 249 D CA 1.665 55.678 54.000 0.021 0.000 0.828 249 D CB -0.668 40.143 40.800 0.018 0.000 0.963 249 D HN 0.227 nan 8.370 nan 0.000 0.450 250 V N 1.325 121.202 119.914 -0.061 0.000 2.287 250 V HA -0.256 3.857 4.120 -0.013 0.000 0.248 250 V C 2.268 178.254 176.094 -0.180 0.000 1.053 250 V CA 1.708 63.915 62.300 -0.154 0.000 1.027 250 V CB -0.687 30.977 31.823 -0.264 0.000 0.646 250 V HN 0.346 nan 8.190 nan 0.000 0.447 251 H N -0.055 119.007 119.070 -0.013 0.000 2.457 251 H HA -0.062 4.486 4.556 -0.013 0.000 0.294 251 H C 2.413 177.738 175.328 -0.006 0.000 1.064 251 H CA 1.427 57.469 56.048 -0.011 0.000 1.330 251 H CB 0.087 29.842 29.762 -0.012 0.000 1.395 251 H HN 0.597 nan 8.280 nan 0.000 0.541 252 E N 0.329 120.584 120.200 0.092 0.000 2.031 252 E HA -0.104 4.238 4.350 -0.013 0.000 0.193 252 E C 2.423 179.041 176.600 0.030 0.000 0.994 252 E CA 0.938 57.371 56.400 0.055 0.000 0.800 252 E CB 0.105 29.830 29.700 0.041 0.000 0.752 252 E HN 0.130 nan 8.360 nan 0.000 0.447 253 V N 1.321 121.240 119.914 0.009 0.000 2.332 253 V HA -0.283 3.830 4.120 -0.013 0.000 0.248 253 V C 2.421 178.510 176.094 -0.009 0.000 1.055 253 V CA 2.002 64.298 62.300 -0.007 0.000 1.038 253 V CB -0.494 31.316 31.823 -0.022 0.000 0.651 253 V HN 0.138 nan 8.190 nan 0.000 0.450 254 R N 0.613 121.108 120.500 -0.009 0.000 2.096 254 R HA -0.178 4.154 4.340 -0.013 0.000 0.235 254 R C 2.258 178.573 176.300 0.026 0.000 1.127 254 R CA 1.898 58.001 56.100 0.005 0.000 0.968 254 R CB -0.464 29.845 30.300 0.015 0.000 0.861 254 R HN 0.500 nan 8.270 nan 0.000 0.440 255 K N -0.293 120.130 120.400 0.039 0.000 2.057 255 K HA -0.067 4.245 4.320 -0.013 0.000 0.206 255 K C 1.882 178.494 176.600 0.021 0.000 1.050 255 K CA 1.692 58.000 56.287 0.035 0.000 0.935 255 K CB -0.098 32.426 32.500 0.039 0.000 0.715 255 K HN 0.182 nan 8.250 nan 0.000 0.439 256 I N 0.952 121.532 120.570 0.015 0.000 2.252 256 I HA -0.281 3.882 4.170 -0.013 0.000 0.245 256 I C 2.040 178.159 176.117 0.003 0.000 1.102 256 I CA 1.000 62.306 61.300 0.011 0.000 1.385 256 I CB -0.199 37.806 38.000 0.008 0.000 1.064 256 I HN 0.135 nan 8.210 nan 0.000 0.414 257 L N 0.441 121.661 121.223 -0.005 0.000 2.079 257 L HA -0.104 4.229 4.340 -0.013 0.000 0.210 257 L C 1.613 178.480 176.870 -0.005 0.000 1.081 257 L CA 1.045 55.877 54.840 -0.014 0.000 0.752 257 L CB -1.396 40.651 42.059 -0.021 0.000 0.896 257 L HN 0.563 nan 8.230 nan 0.000 0.433 258 G N 0.080 108.882 108.800 0.004 0.000 2.601 258 G HA2 -0.425 3.528 3.960 -0.013 0.000 0.252 258 G HA3 -0.425 3.528 3.960 -0.013 0.000 0.252 258 G C 0.481 175.384 174.900 0.006 0.000 1.294 258 G CA 0.596 45.701 45.100 0.008 0.000 0.912 258 G HN 0.308 nan 8.290 nan 0.000 0.574 259 E N 0.156 120.359 120.200 0.006 0.000 2.028 259 E HA -0.062 4.280 4.350 -0.013 0.000 0.191 259 E C 2.407 179.008 176.600 0.002 0.000 0.988 259 E CA 2.124 58.528 56.400 0.006 0.000 0.799 259 E CB -0.308 29.395 29.700 0.006 0.000 0.755 259 E HN 0.622 nan 8.360 nan 0.000 0.447 260 K N -0.971 119.428 120.400 -0.002 0.000 2.281 260 K HA -0.070 4.242 4.320 -0.013 0.000 0.203 260 K C 1.240 177.834 176.600 -0.011 0.000 1.046 260 K CA 1.449 57.731 56.287 -0.007 0.000 0.938 260 K CB -0.279 32.215 32.500 -0.009 0.000 0.737 260 K HN 0.222 nan 8.250 nan 0.000 0.458 261 G N 0.804 109.597 108.800 -0.011 0.000 3.774 261 G HA2 0.005 3.958 3.960 -0.013 0.000 0.287 261 G HA3 0.005 3.958 3.960 -0.013 0.000 0.287 261 G C 0.641 175.536 174.900 -0.009 0.000 1.030 261 G CA -0.358 44.732 45.100 -0.016 0.000 0.824 261 G HN 0.359 nan 8.290 nan 0.000 0.518 262 K N 0.076 120.476 120.400 -0.000 0.000 2.211 262 K HA -0.070 4.243 4.320 -0.013 0.000 0.204 262 K C 1.188 177.794 176.600 0.010 0.000 1.047 262 K CA 1.103 57.395 56.287 0.007 0.000 0.935 262 K CB -0.060 32.447 32.500 0.012 0.000 0.728 262 K HN 0.064 nan 8.250 nan 0.000 0.452 263 N N 0.770 119.476 118.700 0.010 0.000 2.336 263 N HA 0.148 4.881 4.740 -0.013 0.000 0.189 263 N C 0.159 175.679 175.510 0.017 0.000 1.113 263 N CA 0.195 53.257 53.050 0.020 0.000 0.858 263 N CB 0.149 38.650 38.487 0.024 0.000 0.970 263 N HN 0.235 nan 8.380 nan 0.000 0.471 264 I N 1.778 122.349 120.570 0.001 0.000 2.496 264 I HA 0.005 4.167 4.170 -0.013 0.000 0.285 264 I C 0.453 176.567 176.117 -0.003 0.000 1.080 264 I CA -0.278 61.017 61.300 -0.008 0.000 1.404 264 I CB 0.579 38.560 38.000 -0.032 0.000 1.403 264 I HN -0.333 nan 8.210 nan 0.000 0.539 265 K N 7.183 127.586 120.400 0.005 0.000 2.249 265 K HA 0.454 4.766 4.320 -0.013 0.000 0.280 265 K C -0.433 176.171 176.600 0.006 0.000 1.033 265 K CA -0.296 55.998 56.287 0.011 0.000 0.946 265 K CB 1.223 33.740 32.500 0.028 0.000 1.005 265 K HN 0.498 nan 8.250 nan 0.000 0.469 266 I N 4.604 125.171 120.570 -0.005 0.000 2.291 266 I HA 0.144 4.306 4.170 -0.013 0.000 0.290 266 I C 0.032 176.155 176.117 0.011 0.000 1.050 266 I CA -0.588 60.710 61.300 -0.003 0.000 1.245 266 I CB 0.571 38.548 38.000 -0.039 0.000 1.405 266 I HN 0.195 nan 8.210 nan 0.000 0.478 267 I N 5.267 125.887 120.570 0.083 0.000 2.304 267 I HA 0.213 4.375 4.170 -0.013 0.000 0.291 267 I C 0.499 176.636 176.117 0.033 0.000 1.018 267 I CA 0.001 61.341 61.300 0.068 0.000 1.260 267 I CB 1.021 39.114 38.000 0.156 0.000 1.390 267 I HN 0.438 nan 8.210 nan 0.000 0.475 268 S N 6.437 122.121 115.700 -0.027 0.000 2.513 268 S HA 0.301 4.764 4.470 -0.013 0.000 0.276 268 S C 0.195 174.765 174.600 -0.051 0.000 1.254 268 S CA -0.670 57.509 58.200 -0.035 0.000 1.053 268 S CB 0.817 63.985 63.200 -0.054 0.000 0.958 268 S HN 0.374 nan 8.310 nan 0.000 0.491 269 K N 2.888 123.250 120.400 -0.064 0.000 2.285 269 K HA 0.305 4.617 4.320 -0.013 0.000 0.286 269 K C -0.631 175.921 176.600 -0.080 0.000 1.072 269 K CA -0.345 55.875 56.287 -0.111 0.000 0.913 269 K CB 0.466 32.860 32.500 -0.177 0.000 1.067 269 K HN 0.409 nan 8.250 nan 0.000 0.479 270 I N 4.668 125.209 120.570 -0.049 0.000 2.291 270 I HA 0.025 4.188 4.170 -0.013 0.000 0.292 270 I C 0.732 176.819 176.117 -0.051 0.000 1.064 270 I CA 0.299 61.594 61.300 -0.008 0.000 1.269 270 I CB 0.249 38.276 38.000 0.044 0.000 1.418 270 I HN 0.789 nan 8.210 nan 0.000 0.485 271 E N 4.937 125.117 120.200 -0.034 0.000 3.313 271 E HA 0.210 4.552 4.350 -0.013 0.000 0.164 271 E C -0.839 175.816 176.600 0.091 0.000 0.947 271 E CA -0.594 55.786 56.400 -0.032 0.000 1.390 271 E CB 0.218 29.809 29.700 -0.182 0.000 1.058 271 E HN 0.648 nan 8.360 nan 0.000 0.436 272 N N -1.019 117.739 118.700 0.097 0.000 3.116 272 N HA 0.044 4.776 4.740 -0.013 0.000 0.244 272 N C 0.198 175.774 175.510 0.111 0.000 1.485 272 N CA -0.791 52.334 53.050 0.124 0.000 0.884 272 N CB 0.393 38.979 38.487 0.165 0.000 1.415 272 N HN 0.004 nan 8.380 nan 0.000 0.524 273 H N -0.379 118.704 119.070 0.022 0.000 2.352 273 H HA -0.115 4.433 4.556 -0.013 0.000 0.299 273 H C 0.902 176.241 175.328 0.019 0.000 1.097 273 H CA 2.284 58.338 56.048 0.009 0.000 1.311 273 H CB 0.392 30.157 29.762 0.004 0.000 1.377 273 H HN 0.783 nan 8.280 nan 0.000 0.504 274 E N -0.408 119.787 120.200 -0.007 0.000 2.106 274 E HA -0.101 4.241 4.350 -0.013 0.000 0.192 274 E C 2.412 178.990 176.600 -0.036 0.000 0.984 274 E CA 0.658 57.025 56.400 -0.055 0.000 0.806 274 E CB -0.199 29.511 29.700 0.017 0.000 0.750 274 E HN 0.596 nan 8.360 nan 0.000 0.458 275 G N 0.589 109.398 108.800 0.014 0.000 2.476 275 G HA2 -0.275 3.677 3.960 -0.013 0.000 0.218 275 G HA3 -0.275 3.677 3.960 -0.013 0.000 0.218 275 G C 1.641 176.579 174.900 0.064 0.000 1.164 275 G CA 1.102 46.230 45.100 0.046 0.000 0.768 275 G HN 0.217 nan 8.290 nan 0.000 0.560 276 V N 0.629 120.542 119.914 -0.002 0.000 2.295 276 V HA -0.180 3.932 4.120 -0.013 0.000 0.246 276 V C 2.933 179.003 176.094 -0.040 0.000 1.049 276 V CA 2.159 64.439 62.300 -0.033 0.000 1.024 276 V CB -0.542 31.220 31.823 -0.102 0.000 0.648 276 V HN 0.313 nan 8.190 nan 0.000 0.447 277 R N 0.158 120.566 120.500 -0.154 0.000 2.094 277 R HA -0.119 4.213 4.340 -0.013 0.000 0.239 277 R C 1.980 178.262 176.300 -0.032 0.000 1.137 277 R CA 1.537 57.552 56.100 -0.141 0.000 0.943 277 R CB -0.309 29.860 30.300 -0.218 0.000 0.850 277 R HN 0.451 nan 8.270 nan 0.000 0.433 278 R N 0.228 120.720 120.500 -0.013 0.000 2.547 278 R HA 0.023 4.355 4.340 -0.013 0.000 0.258 278 R C 1.067 177.378 176.300 0.018 0.000 1.115 278 R CA -0.214 55.885 56.100 -0.001 0.000 1.152 278 R CB -0.105 30.186 30.300 -0.015 0.000 1.221 278 R HN 0.198 nan 8.270 nan 0.000 0.539 279 F N 2.158 122.068 119.950 -0.067 0.000 2.126 279 F HA -0.228 4.290 4.527 -0.013 0.000 0.299 279 F C 1.513 177.283 175.800 -0.051 0.000 1.096 279 F CA 1.747 59.710 58.000 -0.062 0.000 1.255 279 F CB 0.141 39.100 39.000 -0.069 0.000 0.997 279 F HN 0.031 nan 8.300 nan 0.000 0.479 280 D N 0.379 120.712 120.400 -0.112 0.000 2.149 280 D HA -0.242 4.391 4.640 -0.013 0.000 0.198 280 D C 2.146 178.297 176.300 -0.248 0.000 0.990 280 D CA 1.838 55.725 54.000 -0.188 0.000 0.839 280 D CB -0.516 40.261 40.800 -0.038 0.000 0.948 280 D HN 0.703 nan 8.370 nan 0.000 0.460 281 E N 0.496 120.590 120.200 -0.177 0.000 2.076 281 E HA -0.082 4.260 4.350 -0.013 0.000 0.190 281 E C 2.304 178.797 176.600 -0.178 0.000 0.979 281 E CA 0.442 56.764 56.400 -0.130 0.000 0.807 281 E CB -0.500 29.162 29.700 -0.063 0.000 0.761 281 E HN 0.214 nan 8.360 nan 0.000 0.454 282 I N 0.894 121.321 120.570 -0.238 0.000 2.163 282 I HA -0.252 3.910 4.170 -0.013 0.000 0.243 282 I C 2.540 178.459 176.117 -0.331 0.000 1.085 282 I CA 0.753 61.903 61.300 -0.250 0.000 1.347 282 I CB -0.257 37.614 38.000 -0.217 0.000 1.044 282 I HN 0.162 nan 8.210 nan 0.000 0.408 283 L N 1.144 122.035 121.223 -0.553 0.000 1.990 283 L HA -0.266 4.066 4.340 -0.013 0.000 0.213 283 L C 2.467 179.183 176.870 -0.256 0.000 1.072 283 L CA 2.133 56.684 54.840 -0.482 0.000 0.755 283 L CB -0.747 40.910 42.059 -0.669 0.000 0.889 283 L HN 0.222 nan 8.230 nan 0.000 0.432 284 E N -0.340 119.733 120.200 -0.211 0.000 2.085 284 E HA -0.196 4.146 4.350 -0.013 0.000 0.194 284 E C 1.989 178.533 176.600 -0.093 0.000 0.994 284 E CA 1.683 58.013 56.400 -0.117 0.000 0.801 284 E CB -0.357 29.295 29.700 -0.081 0.000 0.743 284 E HN 0.560 nan 8.360 nan 0.000 0.453 285 A N -0.261 122.485 122.820 -0.123 0.000 2.016 285 A HA 0.128 4.440 4.320 -0.013 0.000 0.217 285 A C 1.369 178.832 177.584 -0.202 0.000 1.162 285 A CA 0.697 52.635 52.037 -0.166 0.000 0.662 285 A CB -0.026 18.817 19.000 -0.260 0.000 0.812 285 A HN 0.237 nan 8.150 nan 0.000 0.450 286 S N -0.320 115.277 115.700 -0.170 0.000 2.738 286 S HA 0.345 4.807 4.470 -0.013 0.000 0.284 286 S C 0.047 174.590 174.600 -0.095 0.000 1.146 286 S CA -0.474 57.643 58.200 -0.138 0.000 0.997 286 S CB 0.839 63.959 63.200 -0.134 0.000 1.081 286 S HN 0.355 nan 8.310 nan 0.000 0.553 287 D N -0.037 120.321 120.400 -0.070 0.000 2.324 287 D HA 0.282 4.914 4.640 -0.013 0.000 0.212 287 D C 0.792 177.051 176.300 -0.068 0.000 0.984 287 D CA 0.626 54.597 54.000 -0.047 0.000 0.885 287 D CB 0.397 41.183 40.800 -0.023 0.000 0.996 287 D HN 0.613 nan 8.370 nan 0.000 0.505 288 G N -0.192 108.564 108.800 -0.073 0.000 2.663 288 G HA2 0.531 4.483 3.960 -0.013 0.000 0.299 288 G HA3 0.531 4.483 3.960 -0.013 0.000 0.299 288 G C -1.635 173.222 174.900 -0.072 0.000 1.372 288 G CA -0.462 44.582 45.100 -0.094 0.000 0.781 288 G HN -0.103 nan 8.290 nan 0.000 0.491 289 I N 0.410 120.939 120.570 -0.068 0.000 2.730 289 I HA 0.535 4.697 4.170 -0.013 0.000 0.298 289 I C -0.487 175.568 176.117 -0.104 0.000 1.089 289 I CA -0.769 60.509 61.300 -0.036 0.000 1.041 289 I CB 2.024 40.081 38.000 0.095 0.000 1.235 289 I HN 0.529 nan 8.210 nan 0.000 0.423 290 M N 5.231 124.752 119.600 -0.133 0.000 2.190 290 M HA 0.412 4.884 4.480 -0.013 0.000 0.312 290 M C -1.294 174.926 176.300 -0.134 0.000 0.990 290 M CA -0.768 54.413 55.300 -0.199 0.000 0.927 290 M CB 1.645 34.038 32.600 -0.346 0.000 1.571 290 M HN 0.272 nan 8.290 nan 0.000 0.427 291 V N 5.020 124.860 119.914 -0.122 0.000 2.390 291 V HA 0.186 4.298 4.120 -0.013 0.000 0.260 291 V C 0.676 176.701 176.094 -0.114 0.000 1.043 291 V CA -0.216 62.019 62.300 -0.108 0.000 1.047 291 V CB -0.199 31.563 31.823 -0.102 0.000 1.066 291 V HN 0.845 nan 8.190 nan 0.000 0.481 292 A N 5.902 128.651 122.820 -0.118 0.000 3.016 292 A HA 0.370 4.683 4.320 -0.013 0.000 0.303 292 A C 1.392 178.922 177.584 -0.091 0.000 1.507 292 A CA -0.526 51.435 52.037 -0.126 0.000 1.196 292 A CB -0.282 18.611 19.000 -0.179 0.000 1.169 292 A HN 0.846 nan 8.150 nan 0.000 0.544 293 R N 1.147 121.607 120.500 -0.067 0.000 2.241 293 R HA -0.122 4.210 4.340 -0.013 0.000 0.224 293 R C 2.106 178.388 176.300 -0.029 0.000 1.101 293 R CA 1.132 57.207 56.100 -0.042 0.000 0.995 293 R CB -0.055 30.228 30.300 -0.028 0.000 0.870 293 R HN 0.681 nan 8.270 nan 0.000 0.463 294 G N 1.845 110.627 108.800 -0.030 0.000 2.604 294 G HA2 -0.270 3.682 3.960 -0.013 0.000 0.216 294 G HA3 -0.270 3.682 3.960 -0.013 0.000 0.216 294 G C 0.929 175.828 174.900 -0.002 0.000 1.265 294 G CA 0.997 46.091 45.100 -0.010 0.000 0.804 294 G HN 0.193 nan 8.290 nan 0.000 0.579 295 D N 0.157 120.560 120.400 0.006 0.000 2.178 295 D HA -0.087 4.545 4.640 -0.013 0.000 0.201 295 D C 2.458 178.778 176.300 0.032 0.000 0.980 295 D CA 0.598 54.632 54.000 0.056 0.000 0.842 295 D CB -0.165 40.725 40.800 0.150 0.000 0.948 295 D HN 0.161 nan 8.370 nan 0.000 0.472 296 L N 1.409 122.631 121.223 -0.001 0.000 2.012 296 L HA -0.078 4.255 4.340 -0.013 0.000 0.210 296 L C 2.245 179.104 176.870 -0.017 0.000 1.073 296 L CA 2.098 56.935 54.840 -0.005 0.000 0.748 296 L CB -1.102 40.940 42.059 -0.028 0.000 0.891 296 L HN 0.032 nan 8.230 nan 0.000 0.431 297 G N -1.212 107.573 108.800 -0.026 0.000 2.625 297 G HA2 -0.140 3.813 3.960 -0.013 0.000 0.214 297 G HA3 -0.140 3.813 3.960 -0.013 0.000 0.214 297 G C 1.437 176.286 174.900 -0.085 0.000 1.132 297 G CA 1.002 46.079 45.100 -0.038 0.000 0.782 297 G HN 0.532 nan 8.290 nan 0.000 0.538 298 I N -0.742 119.770 120.570 -0.096 0.000 3.172 298 I HA 0.109 4.271 4.170 -0.013 0.000 0.278 298 I C 2.196 178.196 176.117 -0.195 0.000 1.174 298 I CA 0.151 61.328 61.300 -0.206 0.000 1.445 298 I CB 0.116 38.023 38.000 -0.154 0.000 1.175 298 I HN -0.044 nan 8.210 nan 0.000 0.447 299 E N 1.774 121.933 120.200 -0.068 0.000 2.152 299 E HA 0.033 4.376 4.350 -0.013 0.000 0.192 299 E C 0.792 177.374 176.600 -0.030 0.000 0.983 299 E CA 0.800 57.188 56.400 -0.020 0.000 0.818 299 E CB 0.260 29.992 29.700 0.053 0.000 0.758 299 E HN 0.547 nan 8.360 nan 0.000 0.467 300 I N -2.529 118.018 120.570 -0.037 0.000 3.002 300 I HA 0.486 4.648 4.170 -0.013 0.000 0.310 300 I C -2.736 173.347 176.117 -0.056 0.000 1.087 300 I CA -3.039 58.237 61.300 -0.040 0.000 1.017 300 I CB 2.164 40.167 38.000 0.006 0.000 1.226 300 I HN -0.372 nan 8.210 nan 0.000 0.443 301 P HA 0.039 nan 4.420 nan 0.000 0.262 301 P C 0.388 177.680 177.300 -0.014 0.000 1.182 301 P CA 0.253 63.335 63.100 -0.030 0.000 0.761 301 P CB 0.977 32.671 31.700 -0.011 0.000 0.795 302 A N 4.870 127.682 122.820 -0.013 0.000 1.978 302 A HA -0.208 4.104 4.320 -0.013 0.000 0.220 302 A C 1.778 179.399 177.584 0.061 0.000 1.170 302 A CA 1.517 53.560 52.037 0.010 0.000 0.636 302 A CB -0.884 18.117 19.000 0.002 0.000 0.810 302 A HN 0.664 nan 8.150 nan 0.000 0.448 303 E N 0.454 120.698 120.200 0.073 0.000 2.472 303 E HA -0.166 4.176 4.350 -0.013 0.000 0.200 303 E C 1.128 177.861 176.600 0.221 0.000 1.046 303 E CA 1.251 57.736 56.400 0.142 0.000 0.871 303 E CB -0.252 29.511 29.700 0.106 0.000 0.806 303 E HN 0.653 nan 8.360 nan 0.000 0.533 304 K N 0.437 120.888 120.400 0.084 0.000 2.353 304 K HA 0.150 4.463 4.320 -0.013 0.000 0.195 304 K C 1.838 178.358 176.600 -0.134 0.000 1.031 304 K CA 0.099 56.355 56.287 -0.052 0.000 1.079 304 K CB 0.681 33.144 32.500 -0.062 0.000 0.857 304 K HN -0.071 nan 8.250 nan 0.000 0.535 305 V N 1.727 121.645 119.914 0.006 0.000 2.427 305 V HA -0.254 3.859 4.120 -0.013 0.000 0.248 305 V C 2.000 178.071 176.094 -0.038 0.000 1.051 305 V CA 1.817 64.108 62.300 -0.015 0.000 1.048 305 V CB -0.580 31.261 31.823 0.030 0.000 0.666 305 V HN 0.356 nan 8.190 nan 0.000 0.456 306 F N 0.007 119.933 119.950 -0.041 0.000 2.216 306 F HA -0.091 4.427 4.527 -0.015 0.000 0.300 306 F C 1.887 177.653 175.800 -0.055 0.000 1.085 306 F CA 1.316 59.290 58.000 -0.044 0.000 1.326 306 F CB -1.119 37.862 39.000 -0.032 0.000 1.027 306 F HN 0.077 nan 8.300 nan 0.000 0.497 307 L N 0.941 121.557 121.223 -1.011 0.000 2.017 307 L HA -0.151 4.182 4.340 -0.013 0.000 0.208 307 L C 3.022 179.673 176.870 -0.366 0.000 1.073 307 L CA 1.371 55.765 54.840 -0.742 0.000 0.745 307 L CB -1.257 40.385 42.059 -0.695 0.000 0.894 307 L HN 0.349 nan 8.230 nan 0.000 0.432 308 A N -0.658 121.986 122.820 -0.293 0.000 1.873 308 A HA -0.267 4.046 4.320 -0.013 0.000 0.215 308 A C 2.260 179.709 177.584 -0.225 0.000 1.186 308 A CA 1.692 53.585 52.037 -0.240 0.000 0.616 308 A CB -0.632 18.257 19.000 -0.185 0.000 0.823 308 A HN 0.475 nan 8.150 nan 0.000 0.442 309 Q N -0.150 119.557 119.800 -0.154 0.000 2.062 309 Q HA -0.279 4.054 4.340 -0.013 0.000 0.209 309 Q C 2.009 177.935 176.000 -0.123 0.000 0.996 309 Q CA 2.421 58.158 55.803 -0.110 0.000 0.859 309 Q CB -0.158 28.561 28.738 -0.032 0.000 0.920 309 Q HN 0.678 nan 8.270 nan 0.000 0.415 310 K N -0.405 119.931 120.400 -0.106 0.000 2.103 310 K HA -0.091 4.221 4.320 -0.013 0.000 0.204 310 K C 2.152 178.673 176.600 -0.132 0.000 1.052 310 K CA 1.090 57.326 56.287 -0.085 0.000 0.945 310 K CB -0.167 32.312 32.500 -0.034 0.000 0.722 310 K HN 0.323 nan 8.250 nan 0.000 0.443 311 M N 1.364 120.849 119.600 -0.191 0.000 2.086 311 M HA -0.139 4.334 4.480 -0.013 0.000 0.261 311 M C 1.881 178.001 176.300 -0.299 0.000 1.067 311 M CA 1.731 56.897 55.300 -0.222 0.000 1.116 311 M CB -0.330 32.118 32.600 -0.252 0.000 1.348 311 M HN 0.093 nan 8.290 nan 0.000 0.407 312 I N 0.246 120.564 120.570 -0.419 0.000 2.142 312 I HA -0.345 3.817 4.170 -0.013 0.000 0.240 312 I C 2.429 178.414 176.117 -0.219 0.000 1.078 312 I CA 1.313 62.274 61.300 -0.565 0.000 1.343 312 I CB -0.499 37.171 38.000 -0.550 0.000 1.046 312 I HN 0.247 nan 8.210 nan 0.000 0.405 313 I N 0.802 121.284 120.570 -0.147 0.000 2.163 313 I HA -0.264 3.898 4.170 -0.013 0.000 0.243 313 I C 2.722 178.808 176.117 -0.052 0.000 1.085 313 I CA 1.778 63.033 61.300 -0.074 0.000 1.347 313 I CB -1.063 36.902 38.000 -0.059 0.000 1.044 313 I HN 0.314 nan 8.210 nan 0.000 0.408 314 G N 0.737 109.496 108.800 -0.067 0.000 2.491 314 G HA2 -0.271 3.681 3.960 -0.013 0.000 0.218 314 G HA3 -0.271 3.681 3.960 -0.013 0.000 0.218 314 G C 1.801 176.687 174.900 -0.023 0.000 1.180 314 G CA 0.731 45.801 45.100 -0.049 0.000 0.774 314 G HN 0.315 nan 8.290 nan 0.000 0.562 315 R N -0.728 119.767 120.500 -0.007 0.000 2.115 315 R HA -0.019 4.314 4.340 -0.013 0.000 0.230 315 R C 2.662 179.024 176.300 0.102 0.000 1.111 315 R CA 1.089 57.234 56.100 0.075 0.000 0.976 315 R CB -0.533 29.881 30.300 0.190 0.000 0.870 315 R HN 0.412 nan 8.270 nan 0.000 0.445 316 C N 0.459 119.819 119.300 0.099 0.000 2.457 316 C HA -0.010 4.442 4.460 -0.013 0.000 0.278 316 C C 2.173 177.164 174.990 0.001 0.000 1.309 316 C CA 0.490 59.545 59.018 0.062 0.000 1.735 316 C CB -1.134 26.639 27.740 0.055 0.000 1.992 316 C HN 0.563 nan 8.230 nan 0.000 0.493 317 N N 0.410 119.102 118.700 -0.013 0.000 2.084 317 N HA -0.172 4.561 4.740 -0.013 0.000 0.190 317 N C 2.028 177.501 175.510 -0.061 0.000 1.030 317 N CA 0.925 53.954 53.050 -0.036 0.000 0.849 317 N CB -0.263 38.206 38.487 -0.030 0.000 1.012 317 N HN 0.488 nan 8.380 nan 0.000 0.423 318 R N 0.669 121.144 120.500 -0.041 0.000 2.127 318 R HA -0.075 4.257 4.340 -0.013 0.000 0.238 318 R C 1.673 177.944 176.300 -0.049 0.000 1.134 318 R CA 1.386 57.459 56.100 -0.045 0.000 0.975 318 R CB -0.018 30.271 30.300 -0.018 0.000 0.865 318 R HN 0.192 nan 8.270 nan 0.000 0.447 319 A N -0.954 121.847 122.820 -0.031 0.000 2.267 319 A HA 0.255 4.567 4.320 -0.013 0.000 0.213 319 A C 1.064 178.630 177.584 -0.031 0.000 1.192 319 A CA 0.565 52.585 52.037 -0.028 0.000 0.851 319 A CB 0.327 19.316 19.000 -0.019 0.000 0.881 319 A HN 0.427 nan 8.150 nan 0.000 0.494 320 G N 0.023 108.796 108.800 -0.045 0.000 2.246 320 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.273 320 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.273 320 G C -0.115 174.824 174.900 0.065 0.000 1.055 320 G CA 0.601 45.691 45.100 -0.016 0.000 0.851 320 G HN 0.546 nan 8.290 nan 0.000 0.500 321 K N 0.326 120.728 120.400 0.003 0.000 2.345 321 K HA 0.451 4.764 4.320 -0.013 0.000 0.255 321 K C -2.633 173.874 176.600 -0.154 0.000 0.934 321 K CA -2.239 54.019 56.287 -0.049 0.000 0.801 321 K CB 2.461 34.933 32.500 -0.047 0.000 1.137 321 K HN -0.056 nan 8.250 nan 0.000 0.424 322 P HA -0.071 nan 4.420 nan 0.000 0.264 322 P C -0.983 176.198 177.300 -0.198 0.000 1.183 322 P CA -0.206 62.658 63.100 -0.394 0.000 0.763 322 P CB 0.607 31.951 31.700 -0.594 0.000 0.807 323 V N 5.346 125.174 119.914 -0.143 0.000 2.638 323 V HA 0.525 4.637 4.120 -0.013 0.000 0.306 323 V C -0.957 175.072 176.094 -0.108 0.000 1.052 323 V CA -0.874 61.367 62.300 -0.099 0.000 0.885 323 V CB 1.406 33.198 31.823 -0.052 0.000 0.999 323 V HN 0.285 nan 8.190 nan 0.000 0.424 324 I N 6.562 127.052 120.570 -0.132 0.000 2.362 324 I HA 0.389 4.552 4.170 -0.013 0.000 0.289 324 I C -0.096 175.945 176.117 -0.127 0.000 0.994 324 I CA -0.402 60.811 61.300 -0.145 0.000 1.158 324 I CB 1.513 39.366 38.000 -0.245 0.000 1.315 324 I HN 0.635 nan 8.210 nan 0.000 0.451 325 C N 6.887 126.134 119.300 -0.088 0.000 2.394 325 C HA 0.803 5.255 4.460 -0.013 0.000 0.362 325 C C 0.627 175.574 174.990 -0.071 0.000 1.268 325 C CA -0.086 58.889 59.018 -0.072 0.000 1.828 325 C CB -0.862 26.852 27.740 -0.042 0.000 2.442 325 C HN 0.872 nan 8.230 nan 0.000 0.549 326 A N 4.753 127.526 122.820 -0.078 0.000 2.430 326 A HA 0.936 5.248 4.320 -0.013 0.000 0.300 326 A C -0.078 177.481 177.584 -0.041 0.000 1.124 326 A CA -0.147 51.850 52.037 -0.067 0.000 0.766 326 A CB 1.007 19.945 19.000 -0.105 0.000 1.328 326 A HN 1.399 nan 8.150 nan 0.000 0.424 327 T N 1.071 115.612 114.554 -0.021 0.000 0.552 327 T HA -0.096 4.246 4.350 -0.013 0.000 0.773 327 T C 0.104 174.806 174.700 0.003 0.000 0.992 327 T CA 0.614 62.710 62.100 -0.006 0.000 4.070 327 T CB -1.166 67.693 68.868 -0.016 0.000 2.299 327 T HN 1.421 nan 8.240 nan 0.000 0.397 328 Q N 0.133 119.942 119.800 0.014 0.000 2.439 328 Q HA -0.278 4.054 4.340 -0.013 0.000 0.247 328 Q C 1.562 177.571 176.000 0.015 0.000 0.899 328 Q CA 1.555 57.368 55.803 0.018 0.000 1.201 328 Q CB -1.029 27.719 28.738 0.017 0.000 1.608 328 Q HN 0.841 nan 8.270 nan 0.000 0.563 329 M N -0.623 118.986 119.600 0.014 0.000 2.213 329 M HA -0.116 4.357 4.480 -0.013 0.000 0.263 329 M C 1.164 177.474 176.300 0.016 0.000 1.062 329 M CA 1.483 56.790 55.300 0.012 0.000 1.105 329 M CB 0.160 32.766 32.600 0.010 0.000 1.385 329 M HN 0.225 nan 8.290 nan 0.000 0.417 330 L N -0.957 120.280 121.223 0.023 0.000 3.186 330 L HA 0.188 4.520 4.340 -0.013 0.000 0.317 330 L C 1.062 177.951 176.870 0.032 0.000 1.296 330 L CA -0.416 54.439 54.840 0.025 0.000 0.870 330 L CB 0.304 42.380 42.059 0.029 0.000 1.302 330 L HN -0.002 nan 8.230 nan 0.000 0.590 331 E N 1.679 121.897 120.200 0.029 0.000 2.048 331 E HA -0.284 4.059 4.350 -0.013 0.000 0.202 331 E C 2.182 178.806 176.600 0.041 0.000 1.021 331 E CA 2.472 58.893 56.400 0.035 0.000 0.825 331 E CB 0.044 29.762 29.700 0.030 0.000 0.756 331 E HN 0.514 nan 8.360 nan 0.000 0.454 332 S N -0.276 115.444 115.700 0.033 0.000 2.441 332 S HA -0.246 4.217 4.470 -0.013 0.000 0.242 332 S C 1.891 176.523 174.600 0.055 0.000 1.018 332 S CA 1.613 59.835 58.200 0.037 0.000 0.988 332 S CB -0.519 62.694 63.200 0.022 0.000 0.778 332 S HN 0.337 nan 8.310 nan 0.000 0.498 333 M N 0.536 120.170 119.600 0.058 0.000 2.700 333 M HA 0.162 4.635 4.480 -0.013 0.000 0.249 333 M C 1.416 177.814 176.300 0.163 0.000 1.082 333 M CA 0.635 55.989 55.300 0.091 0.000 1.077 333 M CB -0.625 32.016 32.600 0.067 0.000 1.477 333 M HN 0.388 nan 8.290 nan 0.000 0.529 334 I N -0.097 120.543 120.570 0.116 0.000 2.394 334 I HA -0.252 3.910 4.170 -0.013 0.000 0.251 334 I C 2.263 178.455 176.117 0.125 0.000 1.136 334 I CA 1.060 62.421 61.300 0.101 0.000 1.425 334 I CB -0.203 37.833 38.000 0.060 0.000 1.079 334 I HN 0.232 nan 8.210 nan 0.000 0.425 335 K N 0.327 120.820 120.400 0.156 0.000 2.424 335 K HA 0.266 4.578 4.320 -0.013 0.000 0.198 335 K C 0.348 177.135 176.600 0.312 0.000 1.190 335 K CA 0.372 56.762 56.287 0.171 0.000 0.935 335 K CB 0.646 33.202 32.500 0.093 0.000 1.087 335 K HN 0.203 nan 8.250 nan 0.000 0.524 336 K N 1.560 122.088 120.400 0.213 0.000 2.208 336 K HA 0.242 4.554 4.320 -0.013 0.000 0.247 336 K C -2.077 174.307 176.600 -0.360 0.000 0.953 336 K CA -1.893 54.411 56.287 0.029 0.000 0.837 336 K CB 1.816 34.307 32.500 -0.015 0.000 1.131 336 K HN -0.252 nan 8.250 nan 0.000 0.431 337 P HA -0.051 nan 4.420 nan 0.000 0.231 337 P C -0.290 176.774 177.300 -0.394 0.000 1.168 337 P CA 0.831 63.318 63.100 -1.021 0.000 0.779 337 P CB 0.539 31.724 31.700 -0.858 0.000 0.844 338 R N 0.552 120.912 120.500 -0.233 0.000 2.621 338 R HA 0.467 4.799 4.340 -0.013 0.000 0.292 338 R C -2.405 173.851 176.300 -0.074 0.000 0.969 338 R CA -2.342 53.685 56.100 -0.122 0.000 0.887 338 R CB 1.144 31.388 30.300 -0.093 0.000 1.180 338 R HN 0.063 nan 8.270 nan 0.000 0.450 339 P HA 0.113 nan 4.420 nan 0.000 0.279 339 P C -0.127 177.162 177.300 -0.018 0.000 1.282 339 P CA -0.215 62.873 63.100 -0.020 0.000 0.788 339 P CB 0.426 32.121 31.700 -0.009 0.000 1.139 340 T N -2.338 112.210 114.554 -0.009 0.000 2.881 340 T HA 0.301 4.643 4.350 -0.013 0.000 0.278 340 T C 1.437 176.131 174.700 -0.010 0.000 0.982 340 T CA -0.763 61.332 62.100 -0.009 0.000 0.989 340 T CB 0.712 69.578 68.868 -0.004 0.000 1.058 340 T HN 0.142 nan 8.240 nan 0.000 0.529 341 R N 0.673 121.167 120.500 -0.011 0.000 2.081 341 R HA 0.019 4.351 4.340 -0.013 0.000 0.235 341 R C 2.669 178.962 176.300 -0.012 0.000 1.131 341 R CA 1.569 57.662 56.100 -0.012 0.000 0.960 341 R CB -1.872 28.419 30.300 -0.014 0.000 0.856 341 R HN 0.848 nan 8.270 nan 0.000 0.436 342 A N 1.482 124.295 122.820 -0.011 0.000 1.883 342 A HA -0.197 4.115 4.320 -0.013 0.000 0.217 342 A C 2.088 179.667 177.584 -0.008 0.000 1.186 342 A CA 1.633 53.663 52.037 -0.012 0.000 0.624 342 A CB -0.418 18.575 19.000 -0.012 0.000 0.822 342 A HN 0.390 nan 8.150 nan 0.000 0.444 343 E N -0.687 119.511 120.200 -0.004 0.000 2.110 343 E HA -0.098 4.244 4.350 -0.013 0.000 0.193 343 E C 2.128 178.728 176.600 0.000 0.000 0.988 343 E CA 0.779 57.180 56.400 0.001 0.000 0.804 343 E CB -0.362 29.340 29.700 0.004 0.000 0.745 343 E HN 0.619 nan 8.360 nan 0.000 0.458 344 G N 0.598 109.396 108.800 -0.003 0.000 2.453 344 G HA2 -0.340 3.612 3.960 -0.013 0.000 0.215 344 G HA3 -0.340 3.612 3.960 -0.013 0.000 0.215 344 G C 1.619 176.517 174.900 -0.004 0.000 1.201 344 G CA 0.963 46.061 45.100 -0.004 0.000 0.784 344 G HN 0.322 nan 8.290 nan 0.000 0.545 345 S N 0.517 116.213 115.700 -0.007 0.000 2.387 345 S HA -0.233 4.229 4.470 -0.013 0.000 0.230 345 S C 2.079 176.678 174.600 -0.003 0.000 1.035 345 S CA 2.275 60.471 58.200 -0.007 0.000 1.014 345 S CB -0.522 62.669 63.200 -0.014 0.000 0.836 345 S HN 0.431 nan 8.310 nan 0.000 0.466 346 D N 0.014 120.412 120.400 -0.002 0.000 2.117 346 D HA -0.071 4.562 4.640 -0.013 0.000 0.197 346 D C 1.879 178.183 176.300 0.006 0.000 0.987 346 D CA 1.389 55.390 54.000 0.002 0.000 0.829 346 D CB -0.250 40.551 40.800 0.002 0.000 0.961 346 D HN 0.329 nan 8.370 nan 0.000 0.460 347 V N 0.801 120.719 119.914 0.007 0.000 2.270 347 V HA -0.187 3.925 4.120 -0.013 0.000 0.245 347 V C 2.631 178.732 176.094 0.011 0.000 1.043 347 V CA 1.774 64.079 62.300 0.009 0.000 1.014 347 V CB -1.067 30.763 31.823 0.011 0.000 0.645 347 V HN 0.328 nan 8.190 nan 0.000 0.447 348 A N 0.361 123.187 122.820 0.009 0.000 1.883 348 A HA -0.268 4.044 4.320 -0.013 0.000 0.217 348 A C 2.114 179.711 177.584 0.021 0.000 1.186 348 A CA 2.252 54.296 52.037 0.012 0.000 0.624 348 A CB -0.717 18.287 19.000 0.007 0.000 0.822 348 A HN 0.603 nan 8.150 nan 0.000 0.444 349 N N 0.054 118.767 118.700 0.021 0.000 2.171 349 N HA -0.077 4.656 4.740 -0.013 0.000 0.184 349 N C 1.990 177.518 175.510 0.030 0.000 1.021 349 N CA 1.347 54.416 53.050 0.031 0.000 0.854 349 N CB -0.479 38.024 38.487 0.026 0.000 0.994 349 N HN 0.459 nan 8.380 nan 0.000 0.426 350 A N 0.979 123.811 122.820 0.020 0.000 1.917 350 A HA -0.128 4.184 4.320 -0.013 0.000 0.219 350 A C 2.501 180.094 177.584 0.014 0.000 1.182 350 A CA 1.529 53.573 52.037 0.013 0.000 0.633 350 A CB -0.768 18.235 19.000 0.005 0.000 0.819 350 A HN 0.125 nan 8.150 nan 0.000 0.448 351 V N -0.236 119.690 119.914 0.020 0.000 2.379 351 V HA -0.192 3.920 4.120 -0.013 0.000 0.245 351 V C 2.494 178.607 176.094 0.032 0.000 1.044 351 V CA 1.697 64.013 62.300 0.026 0.000 1.036 351 V CB -0.700 31.139 31.823 0.028 0.000 0.664 351 V HN 0.554 nan 8.190 nan 0.000 0.453 352 L N -0.143 121.103 121.223 0.039 0.000 2.141 352 L HA -0.155 4.178 4.340 -0.013 0.000 0.209 352 L C 2.274 179.175 176.870 0.051 0.000 1.094 352 L CA 1.272 56.145 54.840 0.055 0.000 0.763 352 L CB -0.643 41.465 42.059 0.082 0.000 0.908 352 L HN 0.333 nan 8.230 nan 0.000 0.437 353 D N 0.174 120.596 120.400 0.037 0.000 2.178 353 D HA -0.079 4.553 4.640 -0.013 0.000 0.201 353 D C 1.595 177.900 176.300 0.008 0.000 0.980 353 D CA 1.462 55.474 54.000 0.021 0.000 0.842 353 D CB 0.010 40.818 40.800 0.012 0.000 0.948 353 D HN 0.411 nan 8.370 nan 0.000 0.472 354 G N -0.566 108.240 108.800 0.011 0.000 2.145 354 G HA2 -0.047 3.905 3.960 -0.013 0.000 0.145 354 G HA3 -0.047 3.905 3.960 -0.013 0.000 0.145 354 G C 0.296 175.197 174.900 0.002 0.000 1.017 354 G CA 0.024 45.130 45.100 0.010 0.000 0.682 354 G HN 0.540 nan 8.290 nan 0.000 0.504 355 A N 0.052 122.870 122.820 -0.004 0.000 2.520 355 A HA 0.527 4.839 4.320 -0.013 0.000 0.245 355 A C 1.131 178.712 177.584 -0.005 0.000 1.072 355 A CA 1.164 53.191 52.037 -0.017 0.000 0.761 355 A CB 0.157 19.144 19.000 -0.022 0.000 1.004 355 A HN 0.368 nan 8.150 nan 0.000 0.499 356 D N 0.726 121.112 120.400 -0.023 0.000 2.117 356 D HA -0.008 4.624 4.640 -0.013 0.000 0.198 356 D C 0.177 176.479 176.300 0.003 0.000 0.982 356 D CA 1.434 55.428 54.000 -0.010 0.000 0.828 356 D CB 0.003 40.762 40.800 -0.069 0.000 0.967 356 D HN 0.512 nan 8.370 nan 0.000 0.464 357 C N 0.423 119.708 119.300 -0.024 0.000 2.634 357 C HA 0.669 5.121 4.460 -0.013 0.000 0.313 357 C C -0.145 174.832 174.990 -0.022 0.000 1.198 357 C CA -1.202 57.809 59.018 -0.011 0.000 1.605 357 C CB 1.006 28.734 27.740 -0.019 0.000 2.196 357 C HN 0.247 nan 8.230 nan 0.000 0.486 358 I N 0.339 120.907 120.570 -0.004 0.000 2.797 358 I HA 0.805 4.967 4.170 -0.013 0.000 0.307 358 I C -0.799 175.317 176.117 -0.001 0.000 1.033 358 I CA -0.840 60.456 61.300 -0.008 0.000 1.071 358 I CB 1.726 39.730 38.000 0.007 0.000 1.255 358 I HN 0.667 nan 8.210 nan 0.000 0.445 359 M N 4.519 124.115 119.600 -0.007 0.000 2.591 359 M HA 0.624 5.096 4.480 -0.013 0.000 0.306 359 M C -1.955 174.357 176.300 0.021 0.000 1.190 359 M CA -0.683 54.621 55.300 0.006 0.000 0.889 359 M CB 2.648 35.233 32.600 -0.025 0.000 1.728 359 M HN 0.622 nan 8.290 nan 0.000 0.458 360 L N 1.843 123.090 121.223 0.039 0.000 2.346 360 L HA 0.555 4.887 4.340 -0.013 0.000 0.276 360 L C -0.207 176.698 176.870 0.058 0.000 1.006 360 L CA -0.259 54.609 54.840 0.046 0.000 0.817 360 L CB 2.172 44.261 42.059 0.050 0.000 1.272 360 L HN 0.797 nan 8.230 nan 0.000 0.421 361 S N 0.872 116.605 115.700 0.056 0.000 3.064 361 S HA 0.171 4.633 4.470 -0.013 0.000 0.170 361 S C 1.581 176.221 174.600 0.067 0.000 0.713 361 S CA 0.407 58.648 58.200 0.068 0.000 0.891 361 S CB -0.204 63.033 63.200 0.062 0.000 0.772 361 S HN 0.873 nan 8.310 nan 0.000 0.701 362 G N 1.436 110.272 108.800 0.060 0.000 2.469 362 G HA2 -0.233 3.720 3.960 -0.013 0.000 0.219 362 G HA3 -0.233 3.720 3.960 -0.013 0.000 0.219 362 G C 1.019 175.950 174.900 0.051 0.000 1.150 362 G CA 1.378 46.509 45.100 0.053 0.000 0.763 362 G HN 0.550 nan 8.290 nan 0.000 0.561 363 E N -0.068 120.165 120.200 0.055 0.000 2.187 363 E HA -0.130 4.213 4.350 -0.013 0.000 0.199 363 E C 2.652 179.288 176.600 0.061 0.000 1.004 363 E CA 1.891 58.328 56.400 0.062 0.000 0.813 363 E CB -0.201 29.536 29.700 0.062 0.000 0.736 363 E HN 0.662 nan 8.360 nan 0.000 0.468 364 T N -3.702 110.886 114.554 0.057 0.000 2.964 364 T HA 0.413 4.755 4.350 -0.013 0.000 0.249 364 T C 1.930 176.660 174.700 0.051 0.000 1.000 364 T CA 0.163 62.295 62.100 0.054 0.000 0.992 364 T CB 0.106 69.007 68.868 0.055 0.000 1.087 364 T HN 0.132 nan 8.240 nan 0.000 0.489 365 A N 3.257 126.112 122.820 0.058 0.000 1.898 365 A HA 0.063 4.376 4.320 -0.013 0.000 0.216 365 A C 2.182 179.792 177.584 0.043 0.000 1.181 365 A CA 1.694 53.768 52.037 0.063 0.000 0.620 365 A CB -0.355 18.692 19.000 0.078 0.000 0.819 365 A HN 0.742 nan 8.150 nan 0.000 0.442 366 K N -2.086 118.332 120.400 0.030 0.000 2.558 366 K HA 0.297 4.610 4.320 -0.013 0.000 0.215 366 K C 0.831 177.429 176.600 -0.003 0.000 1.298 366 K CA 0.313 56.605 56.287 0.010 0.000 1.008 366 K CB -0.063 32.438 32.500 0.001 0.000 1.073 366 K HN 0.249 nan 8.250 nan 0.000 0.606 367 G N 0.961 109.765 108.800 0.007 0.000 2.651 367 G HA2 0.041 3.994 3.960 -0.013 0.000 0.260 367 G HA3 0.041 3.994 3.960 -0.013 0.000 0.260 367 G C -0.233 174.628 174.900 -0.066 0.000 1.216 367 G CA -0.287 44.812 45.100 -0.002 0.000 0.913 367 G HN 0.122 nan 8.290 nan 0.000 0.535 368 D N -1.131 119.185 120.400 -0.139 0.000 2.349 368 D HA 0.039 4.671 4.640 -0.013 0.000 0.215 368 D C -0.169 175.692 176.300 -0.732 0.000 1.016 368 D CA 0.928 54.674 54.000 -0.423 0.000 0.870 368 D CB 0.283 40.761 40.800 -0.537 0.000 0.917 368 D HN 0.376 nan 8.370 nan 0.000 0.524 369 Y N -0.502 119.807 120.300 0.015 0.000 2.555 369 Y HA 0.207 4.749 4.550 -0.013 0.000 0.317 369 Y C -1.700 174.212 175.900 0.019 0.000 0.928 369 Y CA -1.692 56.417 58.100 0.016 0.000 1.116 369 Y CB 1.101 39.570 38.460 0.015 0.000 1.169 369 Y HN -0.105 nan 8.280 nan 0.000 0.627 370 P HA -0.184 nan 4.420 nan 0.000 0.215 370 P C 1.473 178.820 177.300 0.078 0.000 1.157 370 P CA 1.533 64.678 63.100 0.074 0.000 0.868 370 P CB 0.602 32.327 31.700 0.041 0.000 0.788 371 L N -0.618 120.651 121.223 0.077 0.000 2.046 371 L HA -0.174 4.159 4.340 -0.013 0.000 0.208 371 L C 2.671 179.585 176.870 0.073 0.000 1.077 371 L CA 1.654 56.532 54.840 0.064 0.000 0.747 371 L CB -1.211 40.883 42.059 0.059 0.000 0.896 371 L HN -0.074 nan 8.230 nan 0.000 0.432 372 E N 0.457 120.721 120.200 0.106 0.000 2.058 372 E HA -0.215 4.128 4.350 -0.013 0.000 0.194 372 E C 2.299 178.940 176.600 0.069 0.000 0.997 372 E CA 1.500 57.951 56.400 0.085 0.000 0.801 372 E CB -0.374 29.380 29.700 0.090 0.000 0.746 372 E HN 0.453 nan 8.360 nan 0.000 0.450 373 A N 0.471 123.341 122.820 0.084 0.000 1.883 373 A HA -0.203 4.110 4.320 -0.013 0.000 0.217 373 A C 2.502 180.123 177.584 0.061 0.000 1.186 373 A CA 1.751 53.829 52.037 0.068 0.000 0.624 373 A CB -0.952 18.093 19.000 0.075 0.000 0.822 373 A HN 0.144 nan 8.150 nan 0.000 0.444 374 V N -0.035 119.914 119.914 0.060 0.000 2.252 374 V HA -0.353 3.760 4.120 -0.013 0.000 0.249 374 V C 2.633 178.771 176.094 0.074 0.000 1.056 374 V CA 2.519 64.852 62.300 0.055 0.000 1.022 374 V CB -0.934 30.910 31.823 0.035 0.000 0.641 374 V HN 0.547 nan 8.190 nan 0.000 0.445 375 R N -0.965 119.575 120.500 0.066 0.000 2.091 375 R HA -0.230 4.102 4.340 -0.013 0.000 0.238 375 R C 2.290 178.659 176.300 0.115 0.000 1.136 375 R CA 2.110 58.263 56.100 0.089 0.000 0.959 375 R CB -0.476 29.860 30.300 0.060 0.000 0.856 375 R HN 0.419 nan 8.270 nan 0.000 0.437 376 M N 0.994 120.639 119.600 0.074 0.000 2.159 376 M HA -0.179 4.293 4.480 -0.013 0.000 0.263 376 M C 1.847 178.182 176.300 0.058 0.000 1.063 376 M CA 1.744 57.077 55.300 0.054 0.000 1.110 376 M CB -0.107 32.511 32.600 0.031 0.000 1.374 376 M HN 0.081 nan 8.290 nan 0.000 0.411 377 Q N -1.582 118.261 119.800 0.072 0.000 2.046 377 Q HA -0.239 4.094 4.340 -0.013 0.000 0.200 377 Q C 2.152 178.202 176.000 0.083 0.000 0.975 377 Q CA 1.911 57.754 55.803 0.066 0.000 0.836 377 Q CB -0.519 28.258 28.738 0.065 0.000 0.896 377 Q HN 0.712 nan 8.270 nan 0.000 0.428 378 H N 0.742 119.829 119.070 0.028 0.000 2.353 378 H HA -0.132 4.417 4.556 -0.012 0.000 0.298 378 H C 1.807 177.157 175.328 0.036 0.000 1.103 378 H CA 1.726 57.795 56.048 0.036 0.000 1.293 378 H CB -0.174 29.610 29.762 0.037 0.000 1.372 378 H HN 0.119 nan 8.280 nan 0.000 0.501 379 L N -0.590 120.618 121.223 -0.025 0.000 2.109 379 L HA -0.066 4.266 4.340 -0.013 0.000 0.207 379 L C 2.411 179.236 176.870 -0.074 0.000 1.086 379 L CA 1.014 55.806 54.840 -0.080 0.000 0.760 379 L CB -0.186 41.882 42.059 0.014 0.000 0.910 379 L HN 0.327 nan 8.230 nan 0.000 0.437 380 I N -0.343 120.208 120.570 -0.032 0.000 2.353 380 I HA -0.199 3.963 4.170 -0.013 0.000 0.248 380 I C 2.795 178.895 176.117 -0.028 0.000 1.119 380 I CA 0.864 62.151 61.300 -0.022 0.000 1.417 380 I CB -0.514 37.484 38.000 -0.003 0.000 1.078 380 I HN 0.148 nan 8.210 nan 0.000 0.421 381 A N 1.479 124.278 122.820 -0.035 0.000 1.892 381 A HA -0.239 4.073 4.320 -0.013 0.000 0.218 381 A C 2.442 180.004 177.584 -0.035 0.000 1.188 381 A CA 1.757 53.780 52.037 -0.024 0.000 0.631 381 A CB -0.622 18.371 19.000 -0.012 0.000 0.822 381 A HN 0.344 nan 8.150 nan 0.000 0.447 382 R N -0.643 119.801 120.500 -0.092 0.000 2.081 382 R HA -0.095 4.237 4.340 -0.013 0.000 0.235 382 R C 2.046 178.329 176.300 -0.029 0.000 1.131 382 R CA 1.269 57.324 56.100 -0.075 0.000 0.960 382 R CB -0.348 29.871 30.300 -0.134 0.000 0.856 382 R HN 0.554 nan 8.270 nan 0.000 0.436 383 E N 0.875 121.056 120.200 -0.031 0.000 2.077 383 E HA -0.138 4.204 4.350 -0.013 0.000 0.193 383 E C 2.002 178.604 176.600 0.003 0.000 0.989 383 E CA 1.389 57.780 56.400 -0.015 0.000 0.800 383 E CB -0.164 29.524 29.700 -0.020 0.000 0.746 383 E HN 0.333 nan 8.360 nan 0.000 0.452 384 A N 1.172 123.997 122.820 0.008 0.000 2.014 384 A HA -0.149 4.164 4.320 -0.013 0.000 0.218 384 A C 1.999 179.613 177.584 0.049 0.000 1.163 384 A CA 1.116 53.168 52.037 0.025 0.000 0.652 384 A CB -0.310 18.703 19.000 0.021 0.000 0.808 384 A HN 0.168 nan 8.150 nan 0.000 0.449 385 E N -0.071 120.162 120.200 0.056 0.000 2.051 385 E HA -0.111 4.232 4.350 -0.013 0.000 0.192 385 E C 2.213 178.920 176.600 0.179 0.000 0.991 385 E CA 1.075 57.538 56.400 0.105 0.000 0.799 385 E CB -0.262 29.491 29.700 0.089 0.000 0.748 385 E HN 0.605 nan 8.360 nan 0.000 0.449 386 A N 0.835 123.731 122.820 0.127 0.000 2.067 386 A HA -0.017 4.296 4.320 -0.013 0.000 0.219 386 A C 2.188 179.865 177.584 0.155 0.000 1.158 386 A CA 1.427 53.550 52.037 0.144 0.000 0.661 386 A CB -0.300 18.737 19.000 0.062 0.000 0.801 386 A HN 0.278 nan 8.150 nan 0.000 0.452 387 A N -1.053 121.831 122.820 0.106 0.000 2.132 387 A HA 0.403 4.715 4.320 -0.013 0.000 0.213 387 A C 1.128 178.834 177.584 0.203 0.000 1.154 387 A CA -0.072 52.017 52.037 0.087 0.000 0.753 387 A CB -0.389 18.623 19.000 0.020 0.000 0.826 387 A HN 0.520 nan 8.150 nan 0.000 0.469 388 M N -0.950 118.707 119.600 0.096 0.000 2.243 388 M HA 0.014 4.486 4.480 -0.013 0.000 0.309 388 M C -0.024 176.244 176.300 -0.053 0.000 1.050 388 M CA 0.733 56.000 55.300 -0.054 0.000 1.139 388 M CB 0.033 32.400 32.600 -0.388 0.000 1.457 388 M HN 0.393 nan 8.290 nan 0.000 0.440 389 F N 1.863 121.604 119.950 -0.348 0.000 2.509 389 F HA 0.149 4.685 4.527 0.014 0.000 0.344 389 F C 0.758 176.431 175.800 -0.212 0.000 1.197 389 F CA -0.702 57.026 58.000 -0.454 0.000 1.294 389 F CB -0.059 38.633 39.000 -0.514 0.000 1.643 389 F HN 0.666 nan 8.300 nan 0.000 0.596 390 H N 0.813 119.971 119.070 0.147 0.000 2.353 390 H HA -0.218 4.330 4.556 -0.014 0.000 0.298 390 H C 2.395 177.655 175.328 -0.115 0.000 1.103 390 H CA 2.065 58.117 56.048 0.006 0.000 1.293 390 H CB -0.011 29.666 29.762 -0.142 0.000 1.372 390 H HN 0.462 nan 8.280 nan 0.000 0.501 391 R N 0.829 121.277 120.500 -0.087 0.000 2.075 391 R HA -0.113 4.219 4.340 -0.013 0.000 0.232 391 R C 1.683 177.905 176.300 -0.129 0.000 1.126 391 R CA 1.230 57.231 56.100 -0.164 0.000 0.963 391 R CB 0.166 30.373 30.300 -0.156 0.000 0.858 391 R HN 0.196 nan 8.270 nan 0.000 0.435 392 K N 0.569 120.732 120.400 -0.395 0.000 2.076 392 K HA -0.113 4.199 4.320 -0.013 0.000 0.204 392 K C 2.113 178.640 176.600 -0.123 0.000 1.051 392 K CA 0.641 56.704 56.287 -0.374 0.000 0.949 392 K CB -0.389 31.673 32.500 -0.731 0.000 0.726 392 K HN 0.150 nan 8.250 nan 0.000 0.443 393 L N 0.869 122.057 121.223 -0.059 0.000 2.012 393 L HA -0.184 4.148 4.340 -0.013 0.000 0.210 393 L C 2.238 179.192 176.870 0.139 0.000 1.073 393 L CA 1.579 56.442 54.840 0.039 0.000 0.748 393 L CB -0.648 41.441 42.059 0.051 0.000 0.891 393 L HN 0.074 nan 8.230 nan 0.000 0.431 394 F N 0.637 120.654 119.950 0.112 0.000 2.095 394 F HA -0.235 4.279 4.527 -0.023 0.000 0.298 394 F C 2.337 178.218 175.800 0.134 0.000 1.104 394 F CA 2.160 60.289 58.000 0.215 0.000 1.232 394 F CB -0.284 38.937 39.000 0.367 0.000 0.987 394 F HN 0.223 nan 8.300 nan 0.000 0.475 395 E N -0.057 120.269 120.200 0.210 0.000 2.085 395 E HA -0.243 4.100 4.350 -0.013 0.000 0.194 395 E C 2.081 178.658 176.600 -0.038 0.000 0.994 395 E CA 1.747 58.188 56.400 0.068 0.000 0.801 395 E CB -0.257 29.478 29.700 0.060 0.000 0.743 395 E HN 0.620 nan 8.360 nan 0.000 0.453 396 E N 0.504 120.685 120.200 -0.033 0.000 2.072 396 E HA -0.126 4.216 4.350 -0.013 0.000 0.190 396 E C 2.226 178.799 176.600 -0.045 0.000 0.982 396 E CA 0.619 56.993 56.400 -0.043 0.000 0.803 396 E CB -0.040 29.633 29.700 -0.046 0.000 0.755 396 E HN 0.236 nan 8.360 nan 0.000 0.453 397 L N 0.819 122.017 121.223 -0.043 0.000 2.093 397 L HA -0.147 4.185 4.340 -0.013 0.000 0.208 397 L C 2.581 179.455 176.870 0.007 0.000 1.085 397 L CA 0.909 55.733 54.840 -0.026 0.000 0.755 397 L CB -0.460 41.592 42.059 -0.012 0.000 0.904 397 L HN 0.125 nan 8.230 nan 0.000 0.435 398 A N 0.407 123.154 122.820 -0.120 0.000 1.855 398 A HA -0.243 4.069 4.320 -0.013 0.000 0.215 398 A C 2.445 179.986 177.584 -0.071 0.000 1.191 398 A CA 1.774 53.712 52.037 -0.165 0.000 0.613 398 A CB -0.619 18.169 19.000 -0.353 0.000 0.829 398 A HN 0.373 nan 8.150 nan 0.000 0.442 399 R N -0.127 120.336 120.500 -0.061 0.000 2.096 399 R HA -0.184 4.149 4.340 -0.013 0.000 0.240 399 R C 2.181 178.467 176.300 -0.023 0.000 1.139 399 R CA 1.916 57.994 56.100 -0.036 0.000 0.952 399 R CB -0.525 29.755 30.300 -0.033 0.000 0.854 399 R HN 0.407 nan 8.270 nan 0.000 0.436 400 A N 0.260 123.067 122.820 -0.021 0.000 2.019 400 A HA -0.111 4.201 4.320 -0.013 0.000 0.219 400 A C 1.954 179.537 177.584 -0.002 0.000 1.164 400 A CA 1.655 53.684 52.037 -0.014 0.000 0.644 400 A CB -0.305 18.683 19.000 -0.020 0.000 0.805 400 A HN 0.619 nan 8.150 nan 0.000 0.449 401 S N -0.399 115.312 115.700 0.018 0.000 2.572 401 S HA 0.069 4.532 4.470 -0.013 0.000 0.228 401 S C 1.447 176.060 174.600 0.022 0.000 0.963 401 S CA 0.620 58.843 58.200 0.040 0.000 0.939 401 S CB -0.323 62.952 63.200 0.125 0.000 0.804 401 S HN 0.732 nan 8.310 nan 0.000 0.480 402 S N 2.083 117.783 115.700 0.000 0.000 2.474 402 S HA -0.169 4.294 4.470 -0.013 0.000 0.235 402 S C 1.970 176.564 174.600 -0.010 0.000 0.997 402 S CA 0.660 58.852 58.200 -0.012 0.000 0.949 402 S CB -0.529 62.660 63.200 -0.019 0.000 0.766 402 S HN 0.690 nan 8.310 nan 0.000 0.517 403 Q N 2.042 121.838 119.800 -0.006 0.000 2.369 403 Q HA 0.094 4.426 4.340 -0.013 0.000 0.206 403 Q C 0.777 176.773 176.000 -0.007 0.000 0.963 403 Q CA 0.941 56.739 55.803 -0.008 0.000 0.894 403 Q CB -0.641 28.093 28.738 -0.007 0.000 0.965 403 Q HN 0.521 nan 8.270 nan 0.000 0.475 404 S N 0.793 116.490 115.700 -0.003 0.000 2.554 404 S HA 0.342 4.805 4.470 -0.013 0.000 0.278 404 S C 0.389 174.981 174.600 -0.014 0.000 1.242 404 S CA -0.021 58.176 58.200 -0.005 0.000 1.051 404 S CB 1.302 64.507 63.200 0.007 0.000 0.986 404 S HN 0.391 nan 8.310 nan 0.000 0.502 405 T N 0.522 115.062 114.554 -0.023 0.000 3.182 405 T HA 0.228 4.570 4.350 -0.013 0.000 0.277 405 T C -0.008 174.663 174.700 -0.049 0.000 1.013 405 T CA -0.451 61.630 62.100 -0.032 0.000 0.900 405 T CB -0.489 68.362 68.868 -0.027 0.000 1.098 405 T HN 0.646 nan 8.240 nan 0.000 0.543 406 D N 1.329 121.697 120.400 -0.053 0.000 2.533 406 D HA 0.041 4.674 4.640 -0.013 0.000 0.236 406 D C 1.389 177.606 176.300 -0.138 0.000 1.137 406 D CA -0.112 53.832 54.000 -0.093 0.000 0.867 406 D CB 0.498 41.255 40.800 -0.072 0.000 1.170 406 D HN 0.139 nan 8.370 nan 0.000 0.474 407 L N 3.167 124.248 121.223 -0.237 0.000 2.042 407 L HA -0.187 4.145 4.340 -0.013 0.000 0.210 407 L C 2.214 178.883 176.870 -0.336 0.000 1.076 407 L CA 0.986 55.645 54.840 -0.301 0.000 0.749 407 L CB -0.521 41.272 42.059 -0.442 0.000 0.893 407 L HN 0.627 nan 8.230 nan 0.000 0.432 408 M N 0.199 119.514 119.600 -0.476 0.000 2.175 408 M HA -0.151 4.321 4.480 -0.013 0.000 0.264 408 M C 2.004 178.286 176.300 -0.029 0.000 1.063 408 M CA 1.658 56.824 55.300 -0.222 0.000 1.119 408 M CB -0.366 32.119 32.600 -0.191 0.000 1.377 408 M HN 0.105 nan 8.290 nan 0.000 0.415 409 E N -0.277 119.908 120.200 -0.025 0.000 2.118 409 E HA -0.192 4.150 4.350 -0.013 0.000 0.195 409 E C 1.970 178.538 176.600 -0.054 0.000 0.992 409 E CA 1.282 57.711 56.400 0.049 0.000 0.804 409 E CB -0.318 29.429 29.700 0.080 0.000 0.741 409 E HN 0.662 nan 8.360 nan 0.000 0.458 410 A N 1.147 123.932 122.820 -0.058 0.000 1.902 410 A HA -0.192 4.121 4.320 -0.013 0.000 0.217 410 A C 2.137 179.711 177.584 -0.017 0.000 1.181 410 A CA 1.266 53.272 52.037 -0.053 0.000 0.623 410 A CB -0.281 18.699 19.000 -0.033 0.000 0.818 410 A HN 0.114 nan 8.150 nan 0.000 0.443 411 M N -0.339 119.280 119.600 0.032 0.000 2.086 411 M HA -0.102 4.370 4.480 -0.013 0.000 0.261 411 M C 2.527 178.855 176.300 0.047 0.000 1.067 411 M CA 1.642 56.986 55.300 0.073 0.000 1.116 411 M CB -1.614 31.088 32.600 0.170 0.000 1.348 411 M HN 0.482 nan 8.290 nan 0.000 0.407 412 A N -0.186 122.666 122.820 0.052 0.000 1.902 412 A HA -0.157 4.156 4.320 -0.013 0.000 0.217 412 A C 2.268 179.866 177.584 0.024 0.000 1.181 412 A CA 1.655 53.740 52.037 0.080 0.000 0.623 412 A CB -0.564 18.550 19.000 0.191 0.000 0.818 412 A HN 0.473 nan 8.150 nan 0.000 0.443 413 M N -0.665 118.867 119.600 -0.112 0.000 2.099 413 M HA -0.075 4.398 4.480 -0.013 0.000 0.262 413 M C 2.346 178.669 176.300 0.038 0.000 1.067 413 M CA 1.431 56.689 55.300 -0.070 0.000 1.124 413 M CB -0.599 31.843 32.600 -0.264 0.000 1.353 413 M HN 0.508 nan 8.290 nan 0.000 0.410 414 G N -0.458 108.337 108.800 -0.008 0.000 2.446 414 G HA2 -0.210 3.743 3.960 -0.013 0.000 0.217 414 G HA3 -0.210 3.743 3.960 -0.013 0.000 0.217 414 G C 1.578 176.444 174.900 -0.056 0.000 1.168 414 G CA 1.289 46.376 45.100 -0.022 0.000 0.771 414 G HN 0.446 nan 8.290 nan 0.000 0.551 415 S N -0.032 115.644 115.700 -0.040 0.000 2.368 415 S HA -0.108 4.354 4.470 -0.013 0.000 0.225 415 S C 2.498 177.018 174.600 -0.133 0.000 1.030 415 S CA 1.223 59.389 58.200 -0.057 0.000 0.999 415 S CB -0.280 62.913 63.200 -0.013 0.000 0.844 415 S HN 0.192 nan 8.310 nan 0.000 0.459 416 V N 1.686 121.505 119.914 -0.159 0.000 2.307 416 V HA -0.140 3.972 4.120 -0.013 0.000 0.245 416 V C 2.541 178.202 176.094 -0.721 0.000 1.045 416 V CA 1.997 64.072 62.300 -0.375 0.000 1.024 416 V CB -0.695 31.013 31.823 -0.192 0.000 0.651 416 V HN 0.418 nan 8.190 nan 0.000 0.449 417 E N 0.921 120.766 120.200 -0.592 0.000 2.118 417 E HA -0.214 4.129 4.350 -0.013 0.000 0.195 417 E C 2.063 178.507 176.600 -0.260 0.000 0.992 417 E CA 1.710 57.804 56.400 -0.510 0.000 0.804 417 E CB -0.435 29.072 29.700 -0.322 0.000 0.741 417 E HN 0.531 nan 8.360 nan 0.000 0.458 418 A N 0.164 122.866 122.820 -0.197 0.000 1.930 418 A HA -0.167 4.145 4.320 -0.013 0.000 0.217 418 A C 2.380 179.896 177.584 -0.114 0.000 1.175 418 A CA 2.017 53.984 52.037 -0.116 0.000 0.627 418 A CB -0.917 18.033 19.000 -0.084 0.000 0.815 418 A HN 0.436 nan 8.150 nan 0.000 0.443 419 S N -1.422 114.168 115.700 -0.184 0.000 2.406 419 S HA -0.149 4.313 4.470 -0.013 0.000 0.228 419 S C 1.902 176.466 174.600 -0.060 0.000 1.020 419 S CA 1.299 59.412 58.200 -0.146 0.000 0.965 419 S CB -0.697 62.388 63.200 -0.192 0.000 0.798 419 S HN 0.489 nan 8.310 nan 0.000 0.488 420 Y N 2.206 122.433 120.300 -0.120 0.000 2.163 420 Y HA 0.141 4.685 4.550 -0.011 0.000 0.288 420 Y C 2.658 178.507 175.900 -0.085 0.000 1.136 420 Y CA 0.947 58.976 58.100 -0.119 0.000 1.147 420 Y CB -1.142 37.217 38.460 -0.168 0.000 0.987 420 Y HN 0.272 nan 8.280 nan 0.000 0.509 421 K N 0.918 121.368 120.400 0.084 0.000 1.991 421 K HA -0.166 4.146 4.320 -0.013 0.000 0.212 421 K C 2.026 178.638 176.600 0.020 0.000 1.049 421 K CA 2.075 58.383 56.287 0.034 0.000 0.932 421 K CB -0.931 31.572 32.500 0.004 0.000 0.717 421 K HN 0.466 nan 8.250 nan 0.000 0.441 422 C N 0.374 119.677 119.300 0.005 0.000 2.613 422 C HA 0.441 4.894 4.460 -0.013 0.000 0.273 422 C C 0.558 175.550 174.990 0.003 0.000 1.304 422 C CA -0.751 58.266 59.018 -0.002 0.000 1.702 422 C CB -1.677 26.054 27.740 -0.015 0.000 1.792 422 C HN 0.494 nan 8.230 nan 0.000 0.588 423 L N 0.524 121.758 121.223 0.018 0.000 3.879 423 L HA -0.234 4.099 4.340 -0.013 0.000 0.481 423 L C 1.061 177.936 176.870 0.009 0.000 1.232 423 L CA 0.346 55.199 54.840 0.021 0.000 0.736 423 L CB -2.191 39.880 42.059 0.020 0.000 1.511 423 L HN 0.693 nan 8.230 nan 0.000 0.830 424 A N 0.281 123.098 122.820 -0.005 0.000 2.483 424 A HA 0.543 4.856 4.320 -0.013 0.000 0.238 424 A C 1.363 178.949 177.584 0.003 0.000 1.070 424 A CA 0.585 52.610 52.037 -0.020 0.000 0.770 424 A CB 0.758 19.732 19.000 -0.043 0.000 1.008 424 A HN 0.694 nan 8.150 nan 0.000 0.497 425 A N 1.312 124.141 122.820 0.016 0.000 2.021 425 A HA 0.524 4.837 4.320 -0.013 0.000 0.216 425 A C 1.132 178.811 177.584 0.159 0.000 1.163 425 A CA 1.667 53.771 52.037 0.111 0.000 0.676 425 A CB -0.335 18.789 19.000 0.207 0.000 0.818 425 A HN 2.254 nan 8.150 nan 0.000 0.453 426 A N -1.883 120.989 122.820 0.088 0.000 2.581 426 A HA 0.680 4.993 4.320 -0.013 0.000 0.290 426 A C -1.798 175.801 177.584 0.025 0.000 1.119 426 A CA -0.528 51.571 52.037 0.103 0.000 0.670 426 A CB 0.444 19.646 19.000 0.336 0.000 1.280 426 A HN 0.279 nan 8.150 nan 0.000 0.425 427 L N 0.519 121.767 121.223 0.042 0.000 2.362 427 L HA 0.640 4.973 4.340 -0.013 0.000 0.275 427 L C -0.812 176.091 176.870 0.055 0.000 0.998 427 L CA -0.021 54.833 54.840 0.023 0.000 0.820 427 L CB 1.800 43.868 42.059 0.015 0.000 1.270 427 L HN 0.578 nan 8.230 nan 0.000 0.415 428 I N 3.549 124.141 120.570 0.037 0.000 2.362 428 I HA 0.495 4.657 4.170 -0.013 0.000 0.289 428 I C -0.903 175.237 176.117 0.039 0.000 0.994 428 I CA -0.775 60.557 61.300 0.054 0.000 1.158 428 I CB 1.836 39.861 38.000 0.042 0.000 1.315 428 I HN 0.182 nan 8.210 nan 0.000 0.451 429 V N 7.181 127.121 119.914 0.045 0.000 2.531 429 V HA 0.383 4.495 4.120 -0.013 0.000 0.301 429 V C -0.394 175.714 176.094 0.023 0.000 1.034 429 V CA -0.660 61.658 62.300 0.030 0.000 0.865 429 V CB 2.010 33.846 31.823 0.020 0.000 0.995 429 V HN 0.361 nan 8.190 nan 0.000 0.424 430 L N 4.058 125.293 121.223 0.020 0.000 2.275 430 L HA 0.776 5.108 4.340 -0.013 0.000 0.288 430 L C 0.251 177.138 176.870 0.028 0.000 1.046 430 L CA 0.635 55.486 54.840 0.017 0.000 0.805 430 L CB 1.437 43.495 42.059 -0.001 0.000 1.193 430 L HN 0.808 nan 8.230 nan 0.000 0.426 431 T N 1.931 116.497 114.554 0.020 0.000 3.097 431 T HA 0.263 4.605 4.350 -0.013 0.000 0.332 431 T C 0.228 174.938 174.700 0.017 0.000 1.269 431 T CA -0.358 61.745 62.100 0.005 0.000 1.076 431 T CB 1.352 70.182 68.868 -0.064 0.000 1.209 431 T HN 0.714 nan 8.240 nan 0.000 0.474 432 E N 1.638 121.857 120.200 0.032 0.000 2.152 432 E HA 0.029 4.371 4.350 -0.013 0.000 0.195 432 E C 1.963 178.584 176.600 0.035 0.000 0.934 432 E CA 1.242 57.669 56.400 0.045 0.000 0.869 432 E CB 0.008 29.746 29.700 0.064 0.000 0.842 432 E HN 0.657 nan 8.360 nan 0.000 0.472 433 S N -0.939 114.777 115.700 0.027 0.000 2.461 433 S HA 0.115 4.578 4.470 -0.013 0.000 0.228 433 S C 1.631 176.238 174.600 0.013 0.000 1.005 433 S CA 1.275 59.497 58.200 0.037 0.000 0.942 433 S CB 0.291 63.518 63.200 0.045 0.000 0.776 433 S HN 0.435 nan 8.310 nan 0.000 0.514 434 G N 1.427 110.162 108.800 -0.109 0.000 2.213 434 G HA2 -0.275 3.678 3.960 -0.013 0.000 0.236 434 G HA3 -0.275 3.678 3.960 -0.013 0.000 0.236 434 G C 1.008 175.390 174.900 -0.863 0.000 0.991 434 G CA 0.265 45.115 45.100 -0.417 0.000 0.629 434 G HN 0.474 nan 8.290 nan 0.000 0.517 435 R N 0.875 121.172 120.500 -0.339 0.000 2.073 435 R HA -0.011 4.322 4.340 -0.013 0.000 0.234 435 R C 2.822 179.014 176.300 -0.180 0.000 1.134 435 R CA 1.892 57.889 56.100 -0.172 0.000 0.952 435 R CB -0.441 29.866 30.300 0.012 0.000 0.850 435 R HN 0.422 nan 8.270 nan 0.000 0.433 436 S N 0.733 116.367 115.700 -0.109 0.000 2.370 436 S HA -0.204 4.258 4.470 -0.013 0.000 0.226 436 S C 2.075 176.623 174.600 -0.087 0.000 1.033 436 S CA 1.382 59.567 58.200 -0.026 0.000 1.011 436 S CB -0.266 62.956 63.200 0.036 0.000 0.852 436 S HN 0.501 nan 8.310 nan 0.000 0.457 437 A N 1.552 124.238 122.820 -0.223 0.000 1.877 437 A HA -0.167 4.146 4.320 -0.013 0.000 0.216 437 A C 1.724 179.198 177.584 -0.185 0.000 1.186 437 A CA 1.745 53.661 52.037 -0.201 0.000 0.620 437 A CB -1.028 17.819 19.000 -0.256 0.000 0.822 437 A HN 0.707 nan 8.150 nan 0.000 0.443 438 H N -0.611 118.305 119.070 -0.256 0.000 2.353 438 H HA -0.112 4.436 4.556 -0.013 0.000 0.300 438 H C 2.237 177.490 175.328 -0.126 0.000 1.090 438 H CA 1.195 56.983 56.048 -0.434 0.000 1.327 438 H CB 0.013 29.351 29.762 -0.707 0.000 1.383 438 H HN 0.450 nan 8.280 nan 0.000 0.508 439 Q N 0.585 120.418 119.800 0.055 0.000 2.167 439 Q HA -0.088 4.245 4.340 -0.013 0.000 0.202 439 Q C 2.602 178.717 176.000 0.192 0.000 0.970 439 Q CA 0.885 56.757 55.803 0.115 0.000 0.855 439 Q CB -0.106 28.705 28.738 0.121 0.000 0.911 439 Q HN 0.390 nan 8.270 nan 0.000 0.438 440 V N 1.124 121.121 119.914 0.137 0.000 2.379 440 V HA -0.196 3.916 4.120 -0.013 0.000 0.245 440 V C 2.420 178.619 176.094 0.175 0.000 1.044 440 V CA 1.616 64.014 62.300 0.164 0.000 1.036 440 V CB -1.025 30.855 31.823 0.095 0.000 0.664 440 V HN 0.297 nan 8.190 nan 0.000 0.453 441 A N 1.575 124.479 122.820 0.139 0.000 1.883 441 A HA -0.264 4.049 4.320 -0.013 0.000 0.217 441 A C 2.361 180.033 177.584 0.146 0.000 1.186 441 A CA 2.145 54.282 52.037 0.167 0.000 0.624 441 A CB -0.638 18.494 19.000 0.220 0.000 0.822 441 A HN 0.674 nan 8.150 nan 0.000 0.444 442 R N -2.050 118.494 120.500 0.072 0.000 2.200 442 R HA -0.164 4.168 4.340 -0.013 0.000 0.234 442 R C 0.906 177.064 176.300 -0.237 0.000 1.127 442 R CA 1.851 57.887 56.100 -0.106 0.000 0.989 442 R CB -0.568 29.580 30.300 -0.253 0.000 0.869 442 R HN 0.506 nan 8.270 nan 0.000 0.459 443 Y N 0.909 121.288 120.300 0.131 0.000 2.461 443 Y HA 0.296 4.836 4.550 -0.017 0.000 0.277 443 Y C 0.026 176.102 175.900 0.293 0.000 1.182 443 Y CA -0.492 57.710 58.100 0.170 0.000 1.276 443 Y CB 0.396 38.959 38.460 0.173 0.000 1.087 443 Y HN -0.060 nan 8.280 nan 0.000 0.519 444 R N -0.212 120.481 120.500 0.321 0.000 3.146 444 R HA -0.147 4.185 4.340 -0.013 0.000 0.250 444 R C -2.993 173.585 176.300 0.463 0.000 0.912 444 R CA 0.165 56.475 56.100 0.349 0.000 0.633 444 R CB -2.071 28.423 30.300 0.324 0.000 1.180 444 R HN 0.283 nan 8.270 nan 0.000 0.464 445 P HA 0.059 nan 4.420 nan 0.000 0.276 445 P C 0.669 178.097 177.300 0.213 0.000 1.252 445 P CA -0.382 62.814 63.100 0.160 0.000 0.802 445 P CB 0.431 32.121 31.700 -0.017 0.000 1.035 446 R N 0.915 121.444 120.500 0.049 0.000 2.093 446 R HA 0.198 4.530 4.340 -0.013 0.000 0.224 446 R C 0.935 177.222 176.300 -0.023 0.000 1.101 446 R CA 0.333 56.351 56.100 -0.138 0.000 0.979 446 R CB -0.844 29.180 30.300 -0.460 0.000 0.877 446 R HN 0.406 nan 8.270 nan 0.000 0.441 447 A N 3.464 126.271 122.820 -0.021 0.000 2.388 447 A HA 0.355 4.667 4.320 -0.013 0.000 0.257 447 A C -2.125 175.434 177.584 -0.042 0.000 1.095 447 A CA -1.819 50.196 52.037 -0.036 0.000 0.791 447 A CB 0.038 19.027 19.000 -0.019 0.000 1.029 447 A HN 0.211 nan 8.150 nan 0.000 0.489 448 P HA 0.193 nan 4.420 nan 0.000 0.269 448 P C -0.828 176.463 177.300 -0.015 0.000 1.215 448 P CA 0.267 63.284 63.100 -0.138 0.000 0.780 448 P CB 0.499 31.910 31.700 -0.483 0.000 0.898 449 I N 2.750 123.357 120.570 0.062 0.000 2.330 449 I HA 0.298 4.460 4.170 -0.013 0.000 0.286 449 I C 0.477 176.693 176.117 0.165 0.000 1.025 449 I CA -0.557 60.804 61.300 0.101 0.000 1.197 449 I CB 0.517 38.576 38.000 0.098 0.000 1.358 449 I HN 0.101 nan 8.210 nan 0.000 0.467 450 I N 6.262 126.940 120.570 0.180 0.000 2.301 450 I HA 0.399 4.561 4.170 -0.013 0.000 0.292 450 I C 0.479 176.694 176.117 0.164 0.000 1.046 450 I CA -0.148 61.301 61.300 0.247 0.000 1.282 450 I CB 0.915 39.089 38.000 0.289 0.000 1.409 450 I HN 0.594 nan 8.210 nan 0.000 0.484 451 A N 7.226 130.129 122.820 0.138 0.000 2.273 451 A HA 0.636 4.948 4.320 -0.013 0.000 0.320 451 A C -0.389 177.226 177.584 0.051 0.000 1.358 451 A CA -0.463 51.612 52.037 0.064 0.000 0.910 451 A CB 0.604 19.616 19.000 0.019 0.000 1.159 451 A HN 0.458 nan 8.150 nan 0.000 0.526 452 V N 2.262 122.204 119.914 0.046 0.000 2.439 452 V HA 0.726 4.838 4.120 -0.013 0.000 0.282 452 V C 0.546 176.654 176.094 0.022 0.000 1.039 452 V CA 0.019 62.342 62.300 0.039 0.000 0.913 452 V CB 1.455 33.301 31.823 0.038 0.000 0.983 452 V HN 0.939 nan 8.190 nan 0.000 0.460 453 T N 4.253 118.820 114.554 0.022 0.000 2.982 453 T HA 0.386 4.728 4.350 -0.013 0.000 0.321 453 T C 0.385 175.112 174.700 0.045 0.000 1.229 453 T CA -0.629 61.489 62.100 0.030 0.000 1.044 453 T CB 1.582 70.463 68.868 0.022 0.000 1.184 453 T HN 0.641 nan 8.240 nan 0.000 0.477 454 R N 1.817 122.359 120.500 0.070 0.000 2.300 454 R HA 0.187 4.519 4.340 -0.013 0.000 0.199 454 R C 0.379 176.785 176.300 0.177 0.000 0.920 454 R CA -0.164 55.999 56.100 0.105 0.000 1.046 454 R CB 0.183 30.538 30.300 0.092 0.000 0.984 454 R HN 0.380 nan 8.270 nan 0.000 0.493 455 N N 0.925 119.712 118.700 0.144 0.000 2.439 455 N HA 0.019 4.752 4.740 -0.013 0.000 0.249 455 N C 0.511 176.147 175.510 0.210 0.000 1.003 455 N CA 0.150 53.301 53.050 0.168 0.000 0.942 455 N CB 0.592 39.139 38.487 0.100 0.000 1.115 455 N HN 0.212 nan 8.380 nan 0.000 0.505 456 H N 1.789 120.887 119.070 0.046 0.000 2.357 456 H HA -0.135 4.414 4.556 -0.013 0.000 0.301 456 H C 1.268 176.629 175.328 0.056 0.000 1.082 456 H CA 1.074 57.160 56.048 0.062 0.000 1.342 456 H CB 0.551 30.353 29.762 0.066 0.000 1.389 456 H HN 0.665 nan 8.280 nan 0.000 0.511 457 Q N 0.668 120.577 119.800 0.182 0.000 2.050 457 Q HA -0.139 4.193 4.340 -0.013 0.000 0.202 457 Q C 2.056 178.113 176.000 0.096 0.000 0.980 457 Q CA 1.907 57.778 55.803 0.113 0.000 0.840 457 Q CB 0.121 28.908 28.738 0.081 0.000 0.898 457 Q HN 0.307 nan 8.270 nan 0.000 0.424 458 T N 0.773 115.384 114.554 0.094 0.000 2.665 458 T HA -0.218 4.124 4.350 -0.013 0.000 0.268 458 T C 1.759 176.491 174.700 0.053 0.000 1.035 458 T CA 1.445 63.597 62.100 0.087 0.000 1.151 458 T CB -0.480 68.429 68.868 0.068 0.000 0.862 458 T HN 0.501 nan 8.240 nan 0.000 0.438 459 A N 1.756 124.589 122.820 0.023 0.000 1.883 459 A HA -0.170 4.143 4.320 -0.013 0.000 0.217 459 A C 2.383 179.888 177.584 -0.132 0.000 1.186 459 A CA 1.678 53.679 52.037 -0.061 0.000 0.624 459 A CB -0.542 18.427 19.000 -0.051 0.000 0.822 459 A HN 0.451 nan 8.150 nan 0.000 0.444 460 R N -0.845 119.645 120.500 -0.017 0.000 2.081 460 R HA -0.135 4.198 4.340 -0.013 0.000 0.235 460 R C 2.384 178.729 176.300 0.075 0.000 1.131 460 R CA 1.678 57.805 56.100 0.045 0.000 0.960 460 R CB -0.310 30.054 30.300 0.106 0.000 0.856 460 R HN 0.672 nan 8.270 nan 0.000 0.436 461 Q N -0.191 119.661 119.800 0.086 0.000 2.311 461 Q HA 0.032 4.365 4.340 -0.013 0.000 0.203 461 Q C 1.959 178.082 176.000 0.206 0.000 0.954 461 Q CA 0.859 56.746 55.803 0.141 0.000 0.885 461 Q CB 0.165 28.987 28.738 0.140 0.000 0.963 461 Q HN 0.341 nan 8.270 nan 0.000 0.471 462 A N 0.386 123.292 122.820 0.143 0.000 2.070 462 A HA -0.194 4.118 4.320 -0.013 0.000 0.220 462 A C 1.345 179.061 177.584 0.220 0.000 1.159 462 A CA 1.031 53.194 52.037 0.210 0.000 0.656 462 A CB -0.496 18.523 19.000 0.032 0.000 0.800 462 A HN 0.356 nan 8.150 nan 0.000 0.453 463 H N -0.449 118.720 119.070 0.164 0.000 2.543 463 H HA 0.027 4.575 4.556 -0.013 0.000 0.286 463 H C 1.603 176.993 175.328 0.102 0.000 1.037 463 H CA 0.971 57.081 56.048 0.104 0.000 1.250 463 H CB -0.112 29.678 29.762 0.047 0.000 1.373 463 H HN 0.460 nan 8.280 nan 0.000 0.580 464 L N -0.346 121.003 121.223 0.210 0.000 2.478 464 L HA -0.054 4.278 4.340 -0.013 0.000 0.223 464 L C -0.064 176.683 176.870 -0.206 0.000 1.140 464 L CA 0.387 55.209 54.840 -0.031 0.000 0.842 464 L CB -0.016 41.938 42.059 -0.176 0.000 0.953 464 L HN 0.107 nan 8.230 nan 0.000 0.452 465 Y N -0.678 119.671 120.300 0.081 0.000 2.335 465 Y HA 0.388 4.929 4.550 -0.014 0.000 0.338 465 Y C 0.503 176.463 175.900 0.100 0.000 0.977 465 Y CA -1.303 56.844 58.100 0.079 0.000 1.114 465 Y CB 0.932 39.462 38.460 0.117 0.000 1.182 465 Y HN -0.135 nan 8.280 nan 0.000 0.463 466 R N 1.878 122.496 120.500 0.197 0.000 2.486 466 R HA 0.247 4.579 4.340 -0.013 0.000 0.303 466 R C 1.094 177.507 176.300 0.190 0.000 0.958 466 R CA 1.400 57.599 56.100 0.165 0.000 1.077 466 R CB -0.674 29.704 30.300 0.130 0.000 0.921 466 R HN 0.990 nan 8.270 nan 0.000 0.406 467 G N 3.896 112.801 108.800 0.176 0.000 2.213 467 G HA2 -0.270 3.683 3.960 -0.013 0.000 0.236 467 G HA3 -0.270 3.683 3.960 -0.013 0.000 0.236 467 G C 0.249 175.253 174.900 0.174 0.000 0.991 467 G CA 0.044 45.237 45.100 0.154 0.000 0.629 467 G HN 0.577 nan 8.290 nan 0.000 0.517 468 I N 1.160 121.851 120.570 0.202 0.000 2.452 468 I HA 0.345 4.508 4.170 -0.013 0.000 0.287 468 I C 0.051 176.303 176.117 0.226 0.000 1.079 468 I CA -0.251 61.163 61.300 0.190 0.000 1.387 468 I CB 0.494 38.591 38.000 0.162 0.000 1.404 468 I HN 0.108 nan 8.210 nan 0.000 0.522 469 F N 10.109 130.110 119.950 0.086 0.000 2.303 469 F HA 0.411 4.930 4.527 -0.013 0.000 0.368 469 F C -2.016 173.822 175.800 0.063 0.000 1.105 469 F CA -2.481 55.587 58.000 0.112 0.000 1.153 469 F CB 0.698 39.803 39.000 0.175 0.000 1.362 469 F HN 0.272 nan 8.300 nan 0.000 0.511 470 P HA 0.127 nan 4.420 nan 0.000 0.275 470 P C -1.101 176.123 177.300 -0.127 0.000 1.227 470 P CA -0.012 62.992 63.100 -0.159 0.000 0.781 470 P CB 2.019 33.524 31.700 -0.325 0.000 0.906 471 V N 4.186 124.099 119.914 -0.003 0.000 2.483 471 V HA 0.157 4.269 4.120 -0.013 0.000 0.297 471 V C 0.285 176.395 176.094 0.027 0.000 1.027 471 V CA -0.866 61.461 62.300 0.046 0.000 0.855 471 V CB 2.248 34.145 31.823 0.124 0.000 0.995 471 V HN 0.263 nan 8.190 nan 0.000 0.424 472 V N 4.113 124.049 119.914 0.037 0.000 2.488 472 V HA 0.188 4.300 4.120 -0.013 0.000 0.277 472 V C 0.375 176.467 176.094 -0.003 0.000 1.046 472 V CA -0.224 62.063 62.300 -0.023 0.000 0.986 472 V CB 1.285 33.033 31.823 -0.125 0.000 0.989 472 V HN 1.031 nan 8.190 nan 0.000 0.475 473 C N 6.556 125.855 119.300 -0.002 0.000 2.273 473 C HA 0.423 4.876 4.460 -0.013 0.000 0.328 473 C C 1.278 176.281 174.990 0.022 0.000 1.275 473 C CA -0.593 58.433 59.018 0.013 0.000 1.704 473 C CB -0.142 27.610 27.740 0.019 0.000 2.326 473 C HN 1.026 nan 8.230 nan 0.000 0.517 474 K N 2.466 122.877 120.400 0.018 0.000 2.354 474 K HA 0.095 4.407 4.320 -0.013 0.000 0.194 474 K C 0.370 176.990 176.600 0.034 0.000 1.045 474 K CA -0.043 56.267 56.287 0.038 0.000 1.026 474 K CB 0.130 32.639 32.500 0.014 0.000 0.866 474 K HN 0.762 nan 8.250 nan 0.000 0.530 475 D N 2.879 123.292 120.400 0.021 0.000 2.506 475 D HA -0.010 4.623 4.640 -0.013 0.000 0.234 475 D C -2.305 174.008 176.300 0.021 0.000 1.143 475 D CA -0.452 53.557 54.000 0.015 0.000 0.871 475 D CB 0.687 41.491 40.800 0.006 0.000 1.190 475 D HN -0.025 nan 8.370 nan 0.000 0.459 476 P HA 0.004 nan 4.420 nan 0.000 0.272 476 P C -0.431 176.883 177.300 0.022 0.000 1.230 476 P CA -0.427 62.686 63.100 0.021 0.000 0.788 476 P CB 0.580 32.289 31.700 0.015 0.000 0.949 477 V N 2.789 122.723 119.914 0.033 0.000 2.555 477 V HA 0.040 4.152 4.120 -0.013 0.000 0.286 477 V C 0.694 176.809 176.094 0.035 0.000 1.044 477 V CA -0.223 62.103 62.300 0.043 0.000 1.026 477 V CB 0.067 31.933 31.823 0.072 0.000 0.981 477 V HN 0.442 nan 8.190 nan 0.000 0.480 478 Q N 3.324 123.139 119.800 0.025 0.000 2.340 478 Q HA 0.207 4.539 4.340 -0.013 0.000 0.249 478 Q C 1.107 177.134 176.000 0.044 0.000 0.957 478 Q CA -0.158 55.656 55.803 0.019 0.000 0.882 478 Q CB 0.932 29.666 28.738 -0.008 0.000 1.235 478 Q HN 0.732 nan 8.270 nan 0.000 0.439 479 E N 0.950 121.170 120.200 0.034 0.000 2.118 479 E HA -0.106 4.236 4.350 -0.013 0.000 0.195 479 E C 0.011 176.645 176.600 0.058 0.000 0.992 479 E CA 1.069 57.494 56.400 0.040 0.000 0.804 479 E CB 0.140 29.854 29.700 0.022 0.000 0.741 479 E HN 0.605 nan 8.360 nan 0.000 0.458 480 A N 1.168 124.015 122.820 0.046 0.000 2.276 480 A HA 0.036 4.348 4.320 -0.013 0.000 0.300 480 A C 0.430 178.072 177.584 0.096 0.000 1.235 480 A CA -0.553 51.518 52.037 0.057 0.000 0.867 480 A CB -0.030 18.978 19.000 0.013 0.000 1.137 480 A HN 0.473 nan 8.150 nan 0.000 0.527 481 W N 3.163 124.416 121.300 -0.078 0.000 2.317 481 W HA -0.313 4.339 4.660 -0.013 0.000 0.318 481 W C 1.800 178.258 176.519 -0.101 0.000 1.227 481 W CA 2.222 59.513 57.345 -0.090 0.000 1.269 481 W CB -0.208 29.181 29.460 -0.118 0.000 1.155 481 W HN 0.783 nan 8.180 nan 0.000 0.484 482 A N 0.746 123.475 122.820 -0.152 0.000 1.892 482 A HA -0.303 4.009 4.320 -0.013 0.000 0.218 482 A C 1.769 179.196 177.584 -0.262 0.000 1.188 482 A CA 2.320 54.188 52.037 -0.281 0.000 0.631 482 A CB -1.152 17.747 19.000 -0.168 0.000 0.822 482 A HN 0.548 nan 8.150 nan 0.000 0.447 483 E N -1.029 119.073 120.200 -0.163 0.000 2.106 483 E HA -0.190 4.152 4.350 -0.013 0.000 0.192 483 E C 1.725 178.231 176.600 -0.158 0.000 0.984 483 E CA 1.128 57.451 56.400 -0.129 0.000 0.806 483 E CB -0.159 29.499 29.700 -0.071 0.000 0.750 483 E HN 0.731 nan 8.360 nan 0.000 0.458 484 D N -0.203 120.082 120.400 -0.193 0.000 2.144 484 D HA -0.118 4.515 4.640 -0.013 0.000 0.200 484 D C 1.837 177.935 176.300 -0.336 0.000 0.978 484 D CA 0.629 54.503 54.000 -0.209 0.000 0.833 484 D CB 0.245 40.954 40.800 -0.152 0.000 0.961 484 D HN -0.070 nan 8.370 nan 0.000 0.470 485 V N 0.752 120.336 119.914 -0.550 0.000 2.261 485 V HA -0.204 3.908 4.120 -0.013 0.000 0.246 485 V C 1.846 177.763 176.094 -0.295 0.000 1.047 485 V CA 1.949 63.918 62.300 -0.551 0.000 1.015 485 V CB -0.499 30.876 31.823 -0.747 0.000 0.642 485 V HN 0.242 nan 8.190 nan 0.000 0.446 486 D N -0.159 120.098 120.400 -0.240 0.000 2.149 486 D HA -0.174 4.458 4.640 -0.013 0.000 0.198 486 D C 2.070 178.306 176.300 -0.107 0.000 0.990 486 D CA 1.220 55.133 54.000 -0.146 0.000 0.839 486 D CB -0.282 40.446 40.800 -0.121 0.000 0.948 486 D HN 0.397 nan 8.370 nan 0.000 0.460 487 L N 0.652 121.807 121.223 -0.112 0.000 1.990 487 L HA -0.236 4.096 4.340 -0.013 0.000 0.213 487 L C 2.444 179.279 176.870 -0.059 0.000 1.072 487 L CA 1.580 56.375 54.840 -0.074 0.000 0.755 487 L CB 0.014 42.030 42.059 -0.072 0.000 0.889 487 L HN -0.084 nan 8.230 nan 0.000 0.432 488 R N -1.169 119.281 120.500 -0.083 0.000 2.090 488 R HA -0.086 4.247 4.340 -0.013 0.000 0.228 488 R C 2.093 178.376 176.300 -0.028 0.000 1.110 488 R CA 1.272 57.340 56.100 -0.054 0.000 0.973 488 R CB -0.243 30.011 30.300 -0.077 0.000 0.869 488 R HN 0.309 nan 8.270 nan 0.000 0.440 489 V N 1.608 121.492 119.914 -0.049 0.000 2.307 489 V HA -0.239 3.874 4.120 -0.013 0.000 0.245 489 V C 1.786 177.884 176.094 0.008 0.000 1.045 489 V CA 1.651 63.938 62.300 -0.022 0.000 1.024 489 V CB -0.523 31.270 31.823 -0.049 0.000 0.651 489 V HN 0.318 nan 8.190 nan 0.000 0.449 490 N N 0.111 118.808 118.700 -0.006 0.000 2.205 490 N HA -0.153 4.579 4.740 -0.013 0.000 0.186 490 N C 1.658 177.191 175.510 0.039 0.000 1.015 490 N CA 1.267 54.326 53.050 0.013 0.000 0.862 490 N CB -0.484 38.001 38.487 -0.004 0.000 0.986 490 N HN 0.393 nan 8.380 nan 0.000 0.429 491 L N 0.958 122.200 121.223 0.032 0.000 2.017 491 L HA -0.057 4.275 4.340 -0.013 0.000 0.208 491 L C 2.023 178.943 176.870 0.085 0.000 1.073 491 L CA 1.797 56.666 54.840 0.048 0.000 0.745 491 L CB -1.034 41.048 42.059 0.038 0.000 0.894 491 L HN 0.126 nan 8.230 nan 0.000 0.432 492 A N -1.049 121.833 122.820 0.105 0.000 1.930 492 A HA -0.156 4.157 4.320 -0.013 0.000 0.217 492 A C 2.188 179.926 177.584 0.257 0.000 1.175 492 A CA 1.785 53.925 52.037 0.171 0.000 0.627 492 A CB -0.479 18.619 19.000 0.165 0.000 0.815 492 A HN 0.474 nan 8.150 nan 0.000 0.443 493 M N 0.276 120.008 119.600 0.221 0.000 2.065 493 M HA -0.180 4.292 4.480 -0.013 0.000 0.259 493 M C 1.717 178.178 176.300 0.269 0.000 1.069 493 M CA 1.784 57.272 55.300 0.314 0.000 1.110 493 M CB -1.914 30.770 32.600 0.141 0.000 1.328 493 M HN 0.575 nan 8.290 nan 0.000 0.405 494 N N -0.404 118.371 118.700 0.124 0.000 2.166 494 N HA -0.112 4.620 4.740 -0.013 0.000 0.186 494 N C 1.771 177.272 175.510 -0.015 0.000 1.019 494 N CA 0.897 53.976 53.050 0.049 0.000 0.856 494 N CB -0.039 38.469 38.487 0.035 0.000 0.993 494 N HN 0.066 nan 8.380 nan 0.000 0.426 495 V N 0.800 120.720 119.914 0.009 0.000 2.270 495 V HA -0.145 3.967 4.120 -0.013 0.000 0.245 495 V C 2.482 178.396 176.094 -0.301 0.000 1.043 495 V CA 2.127 64.394 62.300 -0.056 0.000 1.014 495 V CB -1.195 30.680 31.823 0.087 0.000 0.645 495 V HN 0.432 nan 8.190 nan 0.000 0.447 496 G N -0.409 108.208 108.800 -0.305 0.000 2.475 496 G HA2 -0.269 3.683 3.960 -0.013 0.000 0.220 496 G HA3 -0.269 3.683 3.960 -0.013 0.000 0.220 496 G C 1.666 175.830 174.900 -1.227 0.000 1.125 496 G CA 1.000 45.527 45.100 -0.954 0.000 0.755 496 G HN 0.490 nan 8.290 nan 0.000 0.565 497 K N 0.263 120.268 120.400 -0.658 0.000 2.098 497 K HA 0.211 4.523 4.320 -0.013 0.000 0.203 497 K C 2.978 179.385 176.600 -0.321 0.000 1.051 497 K CA 0.719 56.782 56.287 -0.373 0.000 0.957 497 K CB -0.145 32.308 32.500 -0.079 0.000 0.738 497 K HN 0.237 nan 8.250 nan 0.000 0.447 498 A N 1.708 124.357 122.820 -0.285 0.000 1.972 498 A HA -0.129 4.184 4.320 -0.013 0.000 0.219 498 A C 1.884 179.258 177.584 -0.350 0.000 1.169 498 A CA 1.217 53.111 52.037 -0.239 0.000 0.635 498 A CB -0.212 18.692 19.000 -0.161 0.000 0.810 498 A HN 0.093 nan 8.150 nan 0.000 0.446 499 R N -0.980 119.152 120.500 -0.614 0.000 2.323 499 R HA 0.074 4.406 4.340 -0.013 0.000 0.198 499 R C 1.317 177.135 176.300 -0.802 0.000 0.988 499 R CA 0.610 56.172 56.100 -0.898 0.000 1.041 499 R CB -1.038 28.210 30.300 -1.754 0.000 0.926 499 R HN 0.839 nan 8.270 nan 0.000 0.476 500 G N 0.974 109.450 108.800 -0.539 0.000 2.179 500 G HA2 -0.278 3.675 3.960 -0.013 0.000 0.257 500 G HA3 -0.278 3.675 3.960 -0.013 0.000 0.257 500 G C 0.496 175.324 174.900 -0.119 0.000 1.010 500 G CA 0.275 45.217 45.100 -0.264 0.000 0.736 500 G HN 0.242 nan 8.290 nan 0.000 0.513 501 F N -0.247 119.469 119.950 -0.391 0.000 2.187 501 F HA 0.352 4.872 4.527 -0.011 0.000 0.295 501 F C 1.541 177.231 175.800 -0.184 0.000 1.091 501 F CA 0.678 58.464 58.000 -0.356 0.000 1.308 501 F CB -0.691 37.992 39.000 -0.530 0.000 1.030 501 F HN 0.371 nan 8.300 nan 0.000 0.487 502 F N -0.966 119.057 119.950 0.121 0.000 2.726 502 F HA 0.640 5.159 4.527 -0.013 0.000 0.324 502 F C -0.627 175.184 175.800 0.018 0.000 1.140 502 F CA -2.138 55.898 58.000 0.059 0.000 0.964 502 F CB 1.149 40.184 39.000 0.057 0.000 1.399 502 F HN -0.238 nan 8.300 nan 0.000 0.491 503 K N 0.172 120.757 120.400 0.308 0.000 2.480 503 K HA 0.397 4.709 4.320 -0.013 0.000 0.258 503 K C -1.358 175.334 176.600 0.152 0.000 0.990 503 K CA -1.116 55.278 56.287 0.178 0.000 0.857 503 K CB 2.363 34.917 32.500 0.090 0.000 1.384 503 K HN 0.782 nan 8.250 nan 0.000 0.446 504 K N 0.341 120.800 120.400 0.099 0.000 2.473 504 K HA -0.038 4.274 4.320 -0.013 0.000 0.277 504 K C 0.474 177.095 176.600 0.034 0.000 1.052 504 K CA 1.949 58.270 56.287 0.056 0.000 1.114 504 K CB -0.559 31.964 32.500 0.038 0.000 0.869 504 K HN 0.922 nan 8.250 nan 0.000 0.481 505 G N 3.364 112.171 108.800 0.011 0.000 2.201 505 G HA2 -0.177 3.775 3.960 -0.013 0.000 0.212 505 G HA3 -0.177 3.775 3.960 -0.013 0.000 0.212 505 G C -0.248 174.648 174.900 -0.008 0.000 0.994 505 G CA -0.003 45.096 45.100 -0.000 0.000 0.644 505 G HN 0.689 nan 8.290 nan 0.000 0.508 506 D N 0.198 120.594 120.400 -0.006 0.000 2.377 506 D HA 0.522 5.155 4.640 -0.013 0.000 0.245 506 D C 0.955 177.204 176.300 -0.085 0.000 1.196 506 D CA 0.623 54.611 54.000 -0.019 0.000 0.962 506 D CB 1.742 42.560 40.800 0.031 0.000 1.127 506 D HN 0.889 nan 8.370 nan 0.000 0.471 507 V N -1.702 118.161 119.914 -0.085 0.000 2.667 507 V HA 0.790 4.902 4.120 -0.013 0.000 0.308 507 V C -0.083 175.916 176.094 -0.158 0.000 1.048 507 V CA -0.853 61.379 62.300 -0.113 0.000 0.928 507 V CB 1.457 33.240 31.823 -0.067 0.000 1.004 507 V HN 0.371 nan 8.190 nan 0.000 0.444 508 V N 2.028 121.828 119.914 -0.190 0.000 3.007 508 V HA 0.685 4.798 4.120 -0.013 0.000 0.311 508 V C -0.557 175.468 176.094 -0.115 0.000 1.120 508 V CA -0.856 61.331 62.300 -0.189 0.000 0.980 508 V CB 2.041 33.660 31.823 -0.339 0.000 1.033 508 V HN 0.855 nan 8.190 nan 0.000 0.429 509 I N 3.274 123.798 120.570 -0.078 0.000 2.395 509 I HA 0.504 4.666 4.170 -0.013 0.000 0.289 509 I C -0.033 176.062 176.117 -0.037 0.000 1.023 509 I CA -0.275 60.994 61.300 -0.052 0.000 1.350 509 I CB 1.375 39.347 38.000 -0.047 0.000 1.409 509 I HN 0.509 nan 8.210 nan 0.000 0.507 510 V N 7.601 127.499 119.914 -0.026 0.000 2.555 510 V HA 0.489 4.602 4.120 -0.013 0.000 0.302 510 V C -0.099 176.001 176.094 0.010 0.000 1.038 510 V CA -0.639 61.654 62.300 -0.012 0.000 0.887 510 V CB 2.501 34.310 31.823 -0.023 0.000 0.991 510 V HN 0.458 nan 8.190 nan 0.000 0.434 511 L N 5.007 126.243 121.223 0.020 0.000 2.372 511 L HA 0.734 5.066 4.340 -0.013 0.000 0.273 511 L C -0.074 176.823 176.870 0.045 0.000 0.989 511 L CA -0.046 54.818 54.840 0.040 0.000 0.841 511 L CB 2.100 44.188 42.059 0.048 0.000 1.225 511 L HN 0.918 nan 8.230 nan 0.000 0.414 512 T N -0.526 114.066 114.554 0.063 0.000 2.865 512 T HA 0.675 5.017 4.350 -0.013 0.000 0.294 512 T C -0.036 174.742 174.700 0.131 0.000 1.119 512 T CA -0.703 61.443 62.100 0.077 0.000 1.007 512 T CB 1.882 70.768 68.868 0.031 0.000 1.225 512 T HN 0.486 nan 8.240 nan 0.000 0.515 513 G N 0.049 108.980 108.800 0.217 0.000 2.390 513 G HA2 0.347 4.299 3.960 -0.013 0.000 0.270 513 G HA3 0.347 4.299 3.960 -0.013 0.000 0.270 513 G C 0.501 175.674 174.900 0.455 0.000 1.211 513 G CA -0.824 44.429 45.100 0.256 0.000 0.842 513 G HN 0.814 nan 8.290 nan 0.000 0.519 514 W N 3.252 124.619 121.300 0.111 0.000 2.355 514 W HA 0.008 4.660 4.660 -0.012 0.000 0.309 514 W C 0.788 177.440 176.519 0.221 0.000 1.206 514 W CA 0.660 58.092 57.345 0.144 0.000 1.284 514 W CB 0.316 29.784 29.460 0.012 0.000 1.145 514 W HN 0.397 nan 8.180 nan 0.000 0.502 515 R N -1.200 119.320 120.500 0.034 0.000 2.902 515 R HA 0.190 4.522 4.340 -0.013 0.000 0.258 515 R C -1.566 174.094 176.300 -1.067 0.000 1.071 515 R CA -1.654 54.147 56.100 -0.498 0.000 1.024 515 R CB 0.875 31.021 30.300 -0.256 0.000 1.184 515 R HN -0.311 nan 8.270 nan 0.000 0.492 516 P HA -0.066 nan 4.420 nan 0.000 0.222 516 P C 0.806 177.707 177.300 -0.666 0.000 1.147 516 P CA 1.013 63.170 63.100 -1.571 0.000 0.790 516 P CB 0.211 31.293 31.700 -1.031 0.000 0.780 517 G N -1.269 107.269 108.800 -0.436 0.000 2.985 517 G HA2 -0.031 3.921 3.960 -0.013 0.000 0.209 517 G HA3 -0.031 3.921 3.960 -0.013 0.000 0.209 517 G C 0.324 175.133 174.900 -0.151 0.000 1.165 517 G CA 0.000 44.965 45.100 -0.225 0.000 0.776 517 G HN 0.170 nan 8.290 nan 0.000 0.541 518 S N 0.633 116.225 115.700 -0.180 0.000 2.498 518 S HA 0.340 4.802 4.470 -0.013 0.000 0.281 518 S C 1.531 176.077 174.600 -0.090 0.000 1.265 518 S CA 0.062 58.170 58.200 -0.152 0.000 1.071 518 S CB 1.442 64.538 63.200 -0.174 0.000 0.894 518 S HN 0.303 nan 8.310 nan 0.000 0.491 519 G N 2.235 111.038 108.800 0.006 0.000 2.956 519 G HA2 0.332 4.285 3.960 -0.013 0.000 0.207 519 G HA3 0.332 4.285 3.960 -0.013 0.000 0.207 519 G C 0.037 175.131 174.900 0.323 0.000 1.162 519 G CA 0.058 45.258 45.100 0.166 0.000 0.796 519 G HN 0.656 nan 8.290 nan 0.000 0.527 520 F N -2.800 117.177 119.950 0.045 0.000 2.817 520 F HA 0.486 5.005 4.527 -0.012 0.000 0.317 520 F C -0.257 175.588 175.800 0.074 0.000 1.168 520 F CA -1.348 56.680 58.000 0.047 0.000 0.911 520 F CB 0.457 39.477 39.000 0.035 0.000 1.337 520 F HN -0.080 nan 8.300 nan 0.000 0.464 521 T N 0.584 115.240 114.554 0.169 0.000 2.848 521 T HA 0.179 4.521 4.350 -0.013 0.000 0.283 521 T C 0.296 175.024 174.700 0.046 0.000 0.919 521 T CA -0.213 61.931 62.100 0.073 0.000 1.071 521 T CB -0.522 68.412 68.868 0.110 0.000 0.912 521 T HN 0.769 nan 8.240 nan 0.000 0.570 522 N N 1.680 120.248 118.700 -0.221 0.000 2.280 522 N HA 0.031 4.764 4.740 -0.013 0.000 0.192 522 N C -0.515 174.980 175.510 -0.025 0.000 1.109 522 N CA -0.491 52.431 53.050 -0.213 0.000 0.855 522 N CB 0.415 38.546 38.487 -0.594 0.000 0.974 522 N HN 0.492 nan 8.380 nan 0.000 0.482 523 T N 1.578 116.158 114.554 0.042 0.000 2.847 523 T HA 0.302 4.644 4.350 -0.013 0.000 0.291 523 T C -0.728 174.017 174.700 0.075 0.000 0.998 523 T CA -0.657 61.493 62.100 0.084 0.000 0.967 523 T CB 1.805 70.816 68.868 0.238 0.000 0.954 523 T HN 0.047 nan 8.240 nan 0.000 0.441 524 M N 3.590 123.218 119.600 0.046 0.000 2.472 524 M HA 0.612 5.085 4.480 -0.013 0.000 0.331 524 M C -1.115 175.200 176.300 0.026 0.000 1.170 524 M CA -0.475 54.844 55.300 0.032 0.000 1.009 524 M CB 1.458 34.068 32.600 0.017 0.000 1.672 524 M HN 0.621 nan 8.290 nan 0.000 0.453 525 R N 2.013 122.522 120.500 0.015 0.000 2.698 525 R HA 0.608 4.940 4.340 -0.013 0.000 0.275 525 R C -1.519 174.771 176.300 -0.017 0.000 1.001 525 R CA -0.827 55.276 56.100 0.006 0.000 0.896 525 R CB 2.603 32.914 30.300 0.017 0.000 1.218 525 R HN 0.531 nan 8.270 nan 0.000 0.462 526 V N 3.508 123.409 119.914 -0.022 0.000 2.364 526 V HA 0.346 4.459 4.120 -0.013 0.000 0.272 526 V C -0.219 175.851 176.094 -0.041 0.000 1.036 526 V CA -0.539 61.739 62.300 -0.037 0.000 0.880 526 V CB 1.336 33.139 31.823 -0.033 0.000 0.991 526 V HN 0.407 nan 8.190 nan 0.000 0.460 527 V N 7.359 127.236 119.914 -0.062 0.000 2.604 527 V HA 0.502 4.615 4.120 -0.013 0.000 0.305 527 V C -2.321 173.719 176.094 -0.090 0.000 1.043 527 V CA -2.060 60.200 62.300 -0.067 0.000 0.888 527 V CB 2.352 34.132 31.823 -0.072 0.000 0.995 527 V HN 0.676 nan 8.190 nan 0.000 0.429 528 P HA 0.210 nan 4.420 nan 0.000 0.275 528 P C -0.438 176.802 177.300 -0.101 0.000 1.227 528 P CA -0.131 62.921 63.100 -0.080 0.000 0.781 528 P CB 1.179 32.850 31.700 -0.047 0.000 0.906 529 V N 5.875 125.708 119.914 -0.134 0.000 2.521 529 V HA 0.113 4.225 4.120 -0.013 0.000 0.286 529 V C -1.277 174.793 176.094 -0.039 0.000 1.034 529 V CA -0.924 61.294 62.300 -0.137 0.000 1.045 529 V CB 0.229 31.934 31.823 -0.197 0.000 0.974 529 V HN 0.645 nan 8.190 nan 0.000 0.480 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.100 63.100 0.001 0.000 0.800 530 P CB 0.000 31.698 31.700 -0.003 0.000 0.726