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 1f3x_1_D DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF 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 PHSTDLMEAM 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 0.000 176.104 176.117 -0.021 0.000 1.063 12 I CA 0.000 61.283 61.300 -0.028 0.000 1.566 12 I CB 0.000 37.987 38.000 -0.021 0.000 1.214 13 Q N 1.343 121.136 119.800 -0.013 0.000 3.217 13 Q HA -0.135 4.231 4.340 0.044 0.000 0.025 13 Q C -0.544 175.467 176.000 0.017 0.000 1.708 13 Q CA 1.421 57.229 55.803 0.008 0.000 0.234 13 Q CB -0.787 27.962 28.738 0.018 0.000 0.989 13 Q HN 0.752 nan 8.270 nan 0.000 0.321 14 T N -1.121 113.451 114.554 0.029 0.000 2.903 14 T HA 0.491 4.868 4.350 0.044 0.000 0.299 14 T C -0.344 174.379 174.700 0.037 0.000 1.093 14 T CA 0.414 62.531 62.100 0.028 0.000 1.002 14 T CB 1.190 70.073 68.868 0.025 0.000 1.127 14 T HN 0.760 nan 8.240 nan 0.000 0.488 15 Q N 3.102 122.923 119.800 0.035 0.000 2.402 15 Q HA -0.269 4.097 4.340 0.044 0.000 0.356 15 Q C -0.304 175.737 176.000 0.067 0.000 1.344 15 Q CA 0.967 56.798 55.803 0.045 0.000 1.062 15 Q CB -1.784 26.978 28.738 0.040 0.000 1.268 15 Q HN 0.809 nan 8.270 nan 0.000 0.383 16 Q N -1.593 118.244 119.800 0.061 0.000 2.434 16 Q HA -0.218 4.149 4.340 0.044 0.000 0.299 16 Q C 0.635 176.697 176.000 0.102 0.000 1.286 16 Q CA 1.548 57.394 55.803 0.071 0.000 0.872 16 Q CB -1.978 26.799 28.738 0.066 0.000 1.193 16 Q HN 0.804 nan 8.270 nan 0.000 0.466 17 L N -1.317 119.964 121.223 0.095 0.000 2.217 17 L HA -0.147 4.220 4.340 0.044 0.000 0.211 17 L C 2.265 179.209 176.870 0.122 0.000 1.107 17 L CA 1.343 56.240 54.840 0.095 0.000 0.783 17 L CB -0.316 41.784 42.059 0.069 0.000 0.919 17 L HN 0.379 nan 8.230 nan 0.000 0.442 18 H N 0.462 119.548 119.070 0.026 0.000 2.357 18 H HA -0.082 4.503 4.556 0.050 0.000 0.301 18 H C 2.067 177.411 175.328 0.028 0.000 1.082 18 H CA 1.466 57.525 56.048 0.017 0.000 1.342 18 H CB 0.151 29.913 29.762 -0.001 0.000 1.389 18 H HN 0.226 nan 8.280 nan 0.000 0.511 19 A N 0.317 123.095 122.820 -0.070 0.000 2.119 19 A HA 0.172 4.518 4.320 0.044 0.000 0.217 19 A C 2.419 180.076 177.584 0.122 0.000 1.153 19 A CA 1.027 52.992 52.037 -0.120 0.000 0.692 19 A CB -0.861 18.019 19.000 -0.200 0.000 0.799 19 A HN 0.576 nan 8.150 nan 0.000 0.458 20 A N -1.135 121.771 122.820 0.143 0.000 2.119 20 A HA 0.086 4.432 4.320 0.044 0.000 0.216 20 A C 1.879 179.549 177.584 0.144 0.000 1.152 20 A CA 1.159 53.313 52.037 0.195 0.000 0.708 20 A CB -0.310 18.782 19.000 0.153 0.000 0.805 20 A HN 0.393 nan 8.150 nan 0.000 0.460 21 M N -0.209 119.426 119.600 0.058 0.000 2.558 21 M HA 0.209 4.715 4.480 0.044 0.000 0.255 21 M C 1.253 177.576 176.300 0.040 0.000 1.113 21 M CA 0.071 55.389 55.300 0.031 0.000 1.097 21 M CB -1.451 31.155 32.600 0.010 0.000 1.426 21 M HN 0.385 nan 8.290 nan 0.000 0.488 22 A N 2.008 124.847 122.820 0.033 0.000 2.492 22 A HA 0.101 4.447 4.320 0.044 0.000 0.236 22 A C 0.807 178.504 177.584 0.190 0.000 1.078 22 A CA 0.424 52.475 52.037 0.023 0.000 0.773 22 A CB 0.078 19.010 19.000 -0.114 0.000 1.023 22 A HN 0.502 nan 8.150 nan 0.000 0.504 23 D N -0.761 119.722 120.400 0.138 0.000 2.389 23 D HA 0.087 4.754 4.640 0.044 0.000 0.206 23 D C 0.581 177.021 176.300 0.232 0.000 1.055 23 D CA 0.961 55.058 54.000 0.162 0.000 0.856 23 D CB -0.329 40.519 40.800 0.081 0.000 0.957 23 D HN 0.579 nan 8.370 nan 0.000 0.509 24 T N -3.710 110.969 114.554 0.208 0.000 2.916 24 T HA 0.441 4.817 4.350 0.044 0.000 0.292 24 T C 0.406 175.178 174.700 0.121 0.000 1.055 24 T CA -0.805 61.438 62.100 0.239 0.000 1.009 24 T CB 1.030 69.990 68.868 0.154 0.000 1.118 24 T HN -0.239 nan 8.240 nan 0.000 0.497 25 F N 0.308 120.315 119.950 0.096 0.000 2.146 25 F HA 0.073 4.595 4.527 -0.008 0.000 0.298 25 F C 2.196 177.945 175.800 -0.086 0.000 1.096 25 F CA 0.778 58.751 58.000 -0.045 0.000 1.275 25 F CB -0.530 38.509 39.000 0.064 0.000 1.008 25 F HN 0.479 nan 8.300 nan 0.000 0.480 26 L N 0.403 121.716 121.223 0.149 0.000 2.042 26 L HA -0.203 4.163 4.340 0.044 0.000 0.210 26 L C 2.239 179.093 176.870 -0.026 0.000 1.076 26 L CA 1.921 56.792 54.840 0.051 0.000 0.749 26 L CB -0.809 41.280 42.059 0.051 0.000 0.893 26 L HN 0.106 nan 8.230 nan 0.000 0.432 27 E N -1.510 118.663 120.200 -0.044 0.000 2.107 27 E HA -0.258 4.118 4.350 0.044 0.000 0.191 27 E C 2.228 178.720 176.600 -0.180 0.000 0.982 27 E CA 1.309 57.656 56.400 -0.089 0.000 0.809 27 E CB -0.267 29.396 29.700 -0.061 0.000 0.756 27 E HN 0.697 nan 8.360 nan 0.000 0.459 28 H N -0.250 118.567 119.070 -0.421 0.000 2.319 28 H HA -0.061 4.525 4.556 0.051 0.000 0.299 28 H C 1.911 177.018 175.328 -0.369 0.000 1.092 28 H CA 2.381 58.059 56.048 -0.617 0.000 1.302 28 H CB -0.145 28.807 29.762 -1.350 0.000 1.373 28 H HN 0.184 nan 8.280 nan 0.000 0.497 29 M N -0.961 118.424 119.600 -0.359 0.000 2.077 29 M HA -0.184 4.322 4.480 0.044 0.000 0.261 29 M C 2.484 178.651 176.300 -0.221 0.000 1.070 29 M CA 1.601 56.726 55.300 -0.291 0.000 1.125 29 M CB -0.254 32.274 32.600 -0.119 0.000 1.339 29 M HN 0.389 nan 8.290 nan 0.000 0.409 30 C N 0.076 119.286 119.300 -0.150 0.000 2.400 30 C HA -0.143 4.343 4.460 0.044 0.000 0.291 30 C C 2.433 177.362 174.990 -0.102 0.000 1.372 30 C CA 0.918 59.876 59.018 -0.100 0.000 1.800 30 C CB -1.505 26.196 27.740 -0.066 0.000 1.869 30 C HN 0.448 nan 8.230 nan 0.000 0.533 31 R N -0.292 120.109 120.500 -0.165 0.000 2.312 31 R HA 0.223 4.589 4.340 0.044 0.000 0.205 31 R C 0.202 176.432 176.300 -0.117 0.000 0.904 31 R CA -0.122 55.904 56.100 -0.122 0.000 1.052 31 R CB -0.027 30.134 30.300 -0.231 0.000 1.014 31 R HN 0.475 nan 8.270 nan 0.000 0.503 32 L N 2.488 123.593 121.223 -0.197 0.000 2.584 32 L HA -0.034 4.333 4.340 0.044 0.000 0.272 32 L C -0.018 176.807 176.870 -0.075 0.000 1.195 32 L CA 0.405 55.145 54.840 -0.166 0.000 0.920 32 L CB -0.013 41.928 42.059 -0.197 0.000 1.173 32 L HN -0.063 nan 8.230 nan 0.000 0.489 33 D N 3.850 124.226 120.400 -0.040 0.000 2.344 33 D HA 0.216 4.882 4.640 0.044 0.000 0.239 33 D C 0.866 177.156 176.300 -0.017 0.000 1.064 33 D CA -0.545 53.445 54.000 -0.017 0.000 0.829 33 D CB 1.596 42.400 40.800 0.007 0.000 1.129 33 D HN 0.466 nan 8.370 nan 0.000 0.506 34 I N -0.246 120.313 120.570 -0.019 0.000 3.334 34 I HA 0.083 4.279 4.170 0.044 0.000 0.282 34 I C 0.152 176.263 176.117 -0.009 0.000 1.313 34 I CA 0.563 61.854 61.300 -0.015 0.000 1.396 34 I CB 0.220 38.210 38.000 -0.017 0.000 1.054 34 I HN 0.020 nan 8.210 nan 0.000 0.495 35 D N 1.213 121.608 120.400 -0.008 0.000 2.424 35 D HA 0.119 4.786 4.640 0.044 0.000 0.220 35 D C 0.297 176.596 176.300 -0.001 0.000 1.150 35 D CA 0.281 54.279 54.000 -0.005 0.000 0.831 35 D CB 0.733 41.529 40.800 -0.008 0.000 0.981 35 D HN 0.188 nan 8.370 nan 0.000 0.500 36 S N 0.884 116.585 115.700 0.003 0.000 2.488 36 S HA 0.501 4.997 4.470 0.044 0.000 0.310 36 S C 0.077 174.684 174.600 0.012 0.000 1.093 36 S CA -0.600 57.607 58.200 0.011 0.000 1.129 36 S CB 0.175 63.386 63.200 0.019 0.000 0.989 36 S HN 0.208 nan 8.310 nan 0.000 0.479 37 A N 7.452 130.279 122.820 0.012 0.000 2.548 37 A HA 0.386 4.732 4.320 0.044 0.000 0.247 37 A C -1.861 175.733 177.584 0.017 0.000 1.067 37 A CA -0.743 51.303 52.037 0.014 0.000 0.757 37 A CB -0.237 18.772 19.000 0.016 0.000 0.996 37 A HN 0.657 nan 8.150 nan 0.000 0.504 38 P HA 0.300 nan 4.420 nan 0.000 0.275 38 P C 0.084 177.392 177.300 0.014 0.000 1.266 38 P CA -0.261 62.846 63.100 0.012 0.000 0.793 38 P CB 0.460 32.160 31.700 -0.001 0.000 1.074 39 I N -3.298 117.276 120.570 0.007 0.000 2.970 39 I HA 0.238 4.434 4.170 0.044 0.000 0.310 39 I C 1.189 177.314 176.117 0.013 0.000 1.010 39 I CA -0.587 60.718 61.300 0.008 0.000 1.228 39 I CB 0.091 38.084 38.000 -0.013 0.000 1.433 39 I HN 0.145 nan 8.210 nan 0.000 0.573 40 T N 2.579 117.161 114.554 0.045 0.000 2.708 40 T HA -0.047 4.329 4.350 0.044 0.000 0.266 40 T C 1.110 175.871 174.700 0.102 0.000 1.037 40 T CA 1.459 63.624 62.100 0.108 0.000 1.146 40 T CB -0.336 68.643 68.868 0.185 0.000 0.865 40 T HN 0.777 nan 8.240 nan 0.000 0.435 41 A N 1.668 124.434 122.820 -0.090 0.000 2.498 41 A HA 0.411 4.757 4.320 0.044 0.000 0.239 41 A C 0.474 178.009 177.584 -0.081 0.000 1.068 41 A CA -0.096 51.765 52.037 -0.293 0.000 0.766 41 A CB 0.076 18.502 19.000 -0.958 0.000 1.003 41 A HN 0.403 nan 8.150 nan 0.000 0.497 42 R N 1.944 122.472 120.500 0.047 0.000 2.480 42 R HA 0.274 4.640 4.340 0.044 0.000 0.306 42 R C -0.465 175.896 176.300 0.103 0.000 0.958 42 R CA -0.698 55.436 56.100 0.057 0.000 0.861 42 R CB 0.740 31.104 30.300 0.106 0.000 1.171 42 R HN 0.885 nan 8.270 nan 0.000 0.445 43 N N 1.196 119.938 118.700 0.070 0.000 2.409 43 N HA -0.010 4.756 4.740 0.044 0.000 0.174 43 N C -0.356 175.219 175.510 0.107 0.000 1.037 43 N CA 0.612 53.721 53.050 0.099 0.000 0.898 43 N CB 0.519 39.059 38.487 0.087 0.000 1.010 43 N HN 0.467 nan 8.380 nan 0.000 0.445 44 T N 1.039 115.643 114.554 0.083 0.000 2.761 44 T HA 0.345 4.721 4.350 0.044 0.000 0.296 44 T C 0.754 175.501 174.700 0.079 0.000 0.934 44 T CA -0.534 61.608 62.100 0.070 0.000 1.091 44 T CB 1.207 70.102 68.868 0.044 0.000 0.896 44 T HN 0.090 nan 8.240 nan 0.000 0.515 45 G N 2.954 111.800 108.800 0.077 0.000 2.398 45 G HA2 0.460 4.446 3.960 0.044 0.000 0.246 45 G HA3 0.460 4.446 3.960 0.044 0.000 0.246 45 G C -0.247 174.673 174.900 0.033 0.000 1.289 45 G CA -0.570 44.571 45.100 0.068 0.000 0.869 45 G HN 0.779 nan 8.290 nan 0.000 0.543 46 I N 2.538 123.115 120.570 0.012 0.000 2.312 46 I HA 0.261 4.457 4.170 0.044 0.000 0.290 46 I C -0.084 176.030 176.117 -0.004 0.000 1.008 46 I CA -0.376 60.931 61.300 0.011 0.000 1.226 46 I CB 1.452 39.467 38.000 0.025 0.000 1.371 46 I HN 0.219 nan 8.210 nan 0.000 0.468 47 I N 6.014 126.599 120.570 0.024 0.000 2.312 47 I HA 0.285 4.481 4.170 0.044 0.000 0.290 47 I C -0.429 175.724 176.117 0.061 0.000 1.008 47 I CA -0.346 60.987 61.300 0.055 0.000 1.226 47 I CB 1.095 39.159 38.000 0.107 0.000 1.371 47 I HN 0.536 nan 8.210 nan 0.000 0.468 48 C N 4.193 123.525 119.300 0.053 0.000 2.319 48 C HA 0.388 4.874 4.460 0.044 0.000 0.335 48 C C 0.823 175.862 174.990 0.081 0.000 1.274 48 C CA -0.443 58.610 59.018 0.059 0.000 1.806 48 C CB 0.890 28.654 27.740 0.039 0.000 2.329 48 C HN 0.647 nan 8.230 nan 0.000 0.524 49 T N 5.294 119.903 114.554 0.092 0.000 2.729 49 T HA 0.292 4.668 4.350 0.044 0.000 0.296 49 T C 0.291 175.054 174.700 0.104 0.000 0.928 49 T CA -0.107 62.061 62.100 0.112 0.000 1.045 49 T CB -0.052 68.888 68.868 0.120 0.000 0.902 49 T HN 0.352 nan 8.240 nan 0.000 0.500 50 I N 3.590 124.228 120.570 0.112 0.000 2.441 50 I HA 0.543 4.739 4.170 0.044 0.000 0.287 50 I C 1.001 177.201 176.117 0.137 0.000 1.049 50 I CA 0.066 61.429 61.300 0.105 0.000 1.381 50 I CB 0.608 38.661 38.000 0.089 0.000 1.409 50 I HN 0.756 nan 8.210 nan 0.000 0.523 51 G N 6.923 115.792 108.800 0.116 0.000 2.827 51 G HA2 0.497 4.483 3.960 0.044 0.000 0.296 51 G HA3 0.497 4.483 3.960 0.044 0.000 0.296 51 G C -2.390 172.579 174.900 0.116 0.000 1.362 51 G CA -0.442 44.743 45.100 0.142 0.000 0.809 51 G HN 0.305 nan 8.290 nan 0.000 0.522 52 P HA -0.121 nan 4.420 nan 0.000 0.220 52 P C 1.556 178.884 177.300 0.047 0.000 1.144 52 P CA 1.887 65.041 63.100 0.090 0.000 0.800 52 P CB 0.154 31.895 31.700 0.067 0.000 0.772 53 A N 0.073 122.916 122.820 0.038 0.000 2.123 53 A HA 0.044 4.391 4.320 0.044 0.000 0.214 53 A C 1.674 179.271 177.584 0.021 0.000 1.152 53 A CA 1.319 53.366 52.037 0.017 0.000 0.728 53 A CB -0.539 18.466 19.000 0.009 0.000 0.814 53 A HN 0.370 nan 8.150 nan 0.000 0.464 54 S N -2.121 113.600 115.700 0.036 0.000 3.025 54 S HA 0.297 4.793 4.470 0.044 0.000 0.251 54 S C 0.738 175.357 174.600 0.032 0.000 0.954 54 S CA -0.493 57.728 58.200 0.034 0.000 1.092 54 S CB -0.109 63.116 63.200 0.041 0.000 1.079 54 S HN 0.478 nan 8.310 nan 0.000 0.543 55 R N 1.872 122.387 120.500 0.024 0.000 2.173 55 R HA 0.146 4.512 4.340 0.044 0.000 0.208 55 R C 0.815 177.113 176.300 -0.003 0.000 1.035 55 R CA 0.794 56.894 56.100 0.000 0.000 1.004 55 R CB -0.022 30.262 30.300 -0.026 0.000 0.917 55 R HN 0.586 nan 8.270 nan 0.000 0.462 56 S N 0.452 116.155 115.700 0.006 0.000 2.537 56 S HA 0.015 4.511 4.470 0.044 0.000 0.286 56 S C 1.565 176.172 174.600 0.012 0.000 1.299 56 S CA -0.647 57.556 58.200 0.005 0.000 1.067 56 S CB 1.454 64.658 63.200 0.007 0.000 0.864 56 S HN -0.085 nan 8.310 nan 0.000 0.494 57 V N 2.870 122.788 119.914 0.008 0.000 2.317 57 V HA -0.198 3.949 4.120 0.044 0.000 0.251 57 V C 2.781 178.887 176.094 0.020 0.000 1.065 57 V CA 2.519 64.827 62.300 0.014 0.000 1.049 57 V CB -1.148 30.676 31.823 0.001 0.000 0.651 57 V HN 0.938 nan 8.190 nan 0.000 0.450 58 E N -0.100 120.108 120.200 0.013 0.000 2.110 58 E HA -0.160 4.217 4.350 0.044 0.000 0.193 58 E C 2.312 178.932 176.600 0.033 0.000 0.988 58 E CA 1.788 58.198 56.400 0.017 0.000 0.804 58 E CB -0.454 29.252 29.700 0.009 0.000 0.745 58 E HN 0.640 nan 8.360 nan 0.000 0.458 59 T N 0.852 115.424 114.554 0.030 0.000 2.770 59 T HA -0.074 4.302 4.350 0.044 0.000 0.263 59 T C 1.596 176.326 174.700 0.049 0.000 1.039 59 T CA 0.606 62.727 62.100 0.035 0.000 1.142 59 T CB -0.121 68.763 68.868 0.027 0.000 0.868 59 T HN 0.056 nan 8.240 nan 0.000 0.435 60 L N 1.458 122.712 121.223 0.051 0.000 2.013 60 L HA -0.131 4.235 4.340 0.044 0.000 0.212 60 L C 2.348 179.282 176.870 0.107 0.000 1.073 60 L CA 1.899 56.779 54.840 0.066 0.000 0.753 60 L CB -1.112 40.985 42.059 0.064 0.000 0.890 60 L HN 0.338 nan 8.230 nan 0.000 0.432 61 K N -0.516 119.963 120.400 0.132 0.000 2.074 61 K HA -0.201 4.145 4.320 0.044 0.000 0.209 61 K C 1.900 178.628 176.600 0.213 0.000 1.048 61 K CA 1.291 57.724 56.287 0.243 0.000 0.926 61 K CB -0.032 32.560 32.500 0.153 0.000 0.713 61 K HN 0.290 nan 8.250 nan 0.000 0.444 62 E N 0.216 120.488 120.200 0.120 0.000 2.152 62 E HA -0.087 4.289 4.350 0.044 0.000 0.192 62 E C 1.983 178.610 176.600 0.045 0.000 0.983 62 E CA 0.784 57.233 56.400 0.081 0.000 0.818 62 E CB -0.042 29.694 29.700 0.060 0.000 0.758 62 E HN 0.300 nan 8.360 nan 0.000 0.467 63 M N 0.237 119.864 119.600 0.044 0.000 2.108 63 M HA -0.120 4.387 4.480 0.044 0.000 0.261 63 M C 2.430 178.719 176.300 -0.018 0.000 1.066 63 M CA 1.200 56.511 55.300 0.018 0.000 1.107 63 M CB -0.815 31.800 32.600 0.026 0.000 1.356 63 M HN 0.092 nan 8.290 nan 0.000 0.406 64 I N 0.015 120.574 120.570 -0.019 0.000 2.163 64 I HA -0.313 3.883 4.170 0.044 0.000 0.240 64 I C 2.344 178.361 176.117 -0.166 0.000 1.081 64 I CA 1.267 62.501 61.300 -0.111 0.000 1.353 64 I CB -0.493 37.424 38.000 -0.139 0.000 1.054 64 I HN 0.313 nan 8.210 nan 0.000 0.407 65 K N 0.463 120.788 120.400 -0.125 0.000 2.152 65 K HA -0.108 4.239 4.320 0.044 0.000 0.206 65 K C 2.165 178.698 176.600 -0.111 0.000 1.048 65 K CA 1.408 57.620 56.287 -0.124 0.000 0.933 65 K CB -0.201 32.287 32.500 -0.020 0.000 0.721 65 K HN 0.196 nan 8.250 nan 0.000 0.447 66 S N -0.810 114.841 115.700 -0.082 0.000 2.461 66 S HA 0.026 4.522 4.470 0.044 0.000 0.228 66 S C 1.363 175.874 174.600 -0.148 0.000 1.005 66 S CA 0.984 59.128 58.200 -0.093 0.000 0.942 66 S CB 0.534 63.716 63.200 -0.031 0.000 0.776 66 S HN 0.649 nan 8.310 nan 0.000 0.514 67 G N 0.491 109.213 108.800 -0.129 0.000 2.977 67 G HA2 -0.130 3.856 3.960 0.044 0.000 0.211 67 G HA3 -0.130 3.856 3.960 0.044 0.000 0.211 67 G C 0.161 175.014 174.900 -0.079 0.000 0.994 67 G CA -0.236 44.798 45.100 -0.110 0.000 0.795 67 G HN 0.356 nan 8.290 nan 0.000 0.518 68 M N 1.487 121.041 119.600 -0.077 0.000 2.261 68 M HA 0.218 4.724 4.480 0.044 0.000 0.350 68 M C 0.844 177.038 176.300 -0.176 0.000 1.343 68 M CA 1.289 56.537 55.300 -0.086 0.000 1.003 68 M CB 0.166 32.733 32.600 -0.054 0.000 1.848 68 M HN 0.289 nan 8.290 nan 0.000 0.456 69 N N 2.513 121.077 118.700 -0.227 0.000 2.360 69 N HA 0.206 4.972 4.740 0.044 0.000 0.211 69 N C -1.148 174.139 175.510 -0.372 0.000 1.147 69 N CA -0.283 52.469 53.050 -0.498 0.000 0.866 69 N CB 1.111 39.198 38.487 -0.666 0.000 1.206 69 N HN 0.406 nan 8.380 nan 0.000 0.478 70 V N 1.069 120.890 119.914 -0.155 0.000 2.577 70 V HA 0.685 4.831 4.120 0.044 0.000 0.303 70 V C -0.939 175.152 176.094 -0.004 0.000 1.042 70 V CA -1.162 61.109 62.300 -0.048 0.000 0.872 70 V CB 1.541 33.388 31.823 0.040 0.000 0.998 70 V HN 0.132 nan 8.190 nan 0.000 0.423 71 A N 5.030 127.847 122.820 -0.005 0.000 2.269 71 A HA 0.704 5.050 4.320 0.044 0.000 0.302 71 A C 0.070 177.665 177.584 0.017 0.000 1.266 71 A CA -0.449 51.599 52.037 0.019 0.000 0.894 71 A CB 0.293 19.305 19.000 0.021 0.000 1.147 71 A HN 0.848 nan 8.150 nan 0.000 0.537 72 R N 3.922 124.458 120.500 0.059 0.000 2.255 72 R HA 0.486 4.852 4.340 0.044 0.000 0.326 72 R C -0.989 175.373 176.300 0.104 0.000 0.986 72 R CA -0.580 55.558 56.100 0.064 0.000 0.847 72 R CB 0.528 30.935 30.300 0.178 0.000 1.111 72 R HN 0.646 nan 8.270 nan 0.000 0.452 73 M N 3.791 123.447 119.600 0.094 0.000 2.088 73 M HA 0.191 4.698 4.480 0.044 0.000 0.346 73 M C -0.375 176.045 176.300 0.202 0.000 1.111 73 M CA -0.967 54.440 55.300 0.178 0.000 1.017 73 M CB 0.691 33.434 32.600 0.238 0.000 1.568 73 M HN 0.422 nan 8.290 nan 0.000 0.445 74 N N 3.040 121.877 118.700 0.229 0.000 2.469 74 N HA 0.175 4.941 4.740 0.044 0.000 0.239 74 N C -0.536 175.121 175.510 0.246 0.000 1.053 74 N CA -0.254 52.945 53.050 0.248 0.000 0.937 74 N CB 0.128 38.764 38.487 0.248 0.000 1.163 74 N HN 0.360 nan 8.380 nan 0.000 0.509 75 F N 1.448 121.357 119.950 -0.069 0.000 2.733 75 F HA 0.088 4.641 4.527 0.044 0.000 0.301 75 F C 2.032 177.865 175.800 0.055 0.000 1.240 75 F CA 0.107 58.095 58.000 -0.020 0.000 1.432 75 F CB -0.354 38.603 39.000 -0.072 0.000 1.089 75 F HN 0.449 nan 8.300 nan 0.000 0.533 76 S N -1.602 114.172 115.700 0.123 0.000 2.461 76 S HA -0.015 4.481 4.470 0.044 0.000 0.228 76 S C 0.172 174.488 174.600 -0.473 0.000 1.005 76 S CA 0.667 58.779 58.200 -0.146 0.000 0.942 76 S CB -0.200 62.888 63.200 -0.187 0.000 0.776 76 S HN 0.427 nan 8.310 nan 0.000 0.514 77 H N -1.584 117.563 119.070 0.129 0.000 2.977 77 H HA 0.591 5.174 4.556 0.044 0.000 0.350 77 H C 0.129 175.456 175.328 -0.001 0.000 1.238 77 H CA -0.245 55.826 56.048 0.038 0.000 1.124 77 H CB 1.239 30.998 29.762 -0.006 0.000 1.866 77 H HN 0.199 nan 8.280 nan 0.000 0.550 78 G N 0.475 109.232 108.800 -0.072 0.000 2.721 78 G HA2 0.014 4.000 3.960 0.044 0.000 0.686 78 G HA3 0.014 4.000 3.960 0.044 0.000 0.686 78 G C -0.068 174.688 174.900 -0.240 0.000 1.236 78 G CA -0.452 44.419 45.100 -0.381 0.000 0.786 78 G HN 0.896 nan 8.290 nan 0.000 0.616 79 T N -1.437 112.987 114.554 -0.217 0.000 2.912 79 T HA 0.596 4.973 4.350 0.044 0.000 0.280 79 T C 1.330 176.000 174.700 -0.050 0.000 0.989 79 T CA 0.404 62.442 62.100 -0.102 0.000 0.995 79 T CB 1.396 70.218 68.868 -0.076 0.000 1.077 79 T HN 0.683 nan 8.240 nan 0.000 0.531 80 H N 0.343 119.275 119.070 -0.230 0.000 2.319 80 H HA -0.128 4.454 4.556 0.044 0.000 0.299 80 H C 2.341 177.564 175.328 -0.175 0.000 1.092 80 H CA 1.827 57.610 56.048 -0.441 0.000 1.302 80 H CB 0.201 29.573 29.762 -0.650 0.000 1.373 80 H HN 0.911 nan 8.280 nan 0.000 0.497 81 E N 0.563 120.810 120.200 0.077 0.000 2.160 81 E HA -0.256 4.120 4.350 0.044 0.000 0.195 81 E C 1.928 178.570 176.600 0.070 0.000 0.991 81 E CA 1.256 57.717 56.400 0.103 0.000 0.810 81 E CB -0.527 29.220 29.700 0.078 0.000 0.742 81 E HN 0.534 nan 8.360 nan 0.000 0.466 82 Y N 1.742 121.978 120.300 -0.106 0.000 2.089 82 Y HA -0.252 4.324 4.550 0.044 0.000 0.282 82 Y C 2.348 178.149 175.900 -0.165 0.000 1.139 82 Y CA 2.288 60.273 58.100 -0.191 0.000 1.123 82 Y CB -0.385 37.855 38.460 -0.366 0.000 0.980 82 Y HN 0.115 nan 8.280 nan 0.000 0.493 83 H N -0.377 118.666 119.070 -0.045 0.000 2.456 83 H HA -0.072 4.510 4.556 0.044 0.000 0.296 83 H C 2.262 177.652 175.328 0.104 0.000 1.079 83 H CA 1.102 57.120 56.048 -0.049 0.000 1.322 83 H CB -0.699 28.986 29.762 -0.127 0.000 1.388 83 H HN 0.526 nan 8.280 nan 0.000 0.538 84 A N 0.879 123.877 122.820 0.297 0.000 1.898 84 A HA -0.158 4.188 4.320 0.044 0.000 0.216 84 A C 2.389 180.036 177.584 0.105 0.000 1.181 84 A CA 1.448 53.668 52.037 0.306 0.000 0.620 84 A CB -0.302 18.926 19.000 0.380 0.000 0.819 84 A HN 0.403 nan 8.150 nan 0.000 0.442 85 E N -0.993 119.210 120.200 0.005 0.000 2.072 85 E HA -0.170 4.206 4.350 0.044 0.000 0.191 85 E C 2.184 178.738 176.600 -0.076 0.000 0.985 85 E CA 1.541 57.912 56.400 -0.048 0.000 0.801 85 E CB -0.155 29.486 29.700 -0.098 0.000 0.750 85 E HN 0.625 nan 8.360 nan 0.000 0.452 86 T N 0.324 114.787 114.554 -0.151 0.000 2.746 86 T HA -0.125 4.251 4.350 0.044 0.000 0.267 86 T C 1.960 176.656 174.700 -0.007 0.000 1.039 86 T CA 1.215 63.246 62.100 -0.115 0.000 1.142 86 T CB -0.244 68.516 68.868 -0.180 0.000 0.866 86 T HN 0.144 nan 8.240 nan 0.000 0.444 87 I N 0.712 121.309 120.570 0.045 0.000 2.286 87 I HA -0.123 4.074 4.170 0.044 0.000 0.248 87 I C 2.762 178.900 176.117 0.035 0.000 1.115 87 I CA 1.551 62.888 61.300 0.061 0.000 1.392 87 I CB -0.387 37.666 38.000 0.088 0.000 1.065 87 I HN 0.335 nan 8.210 nan 0.000 0.418 88 K N 1.069 121.485 120.400 0.027 0.000 2.057 88 K HA -0.199 4.147 4.320 0.044 0.000 0.207 88 K C 1.849 178.459 176.600 0.016 0.000 1.049 88 K CA 1.566 57.864 56.287 0.019 0.000 0.931 88 K CB -0.012 32.497 32.500 0.015 0.000 0.714 88 K HN 0.294 nan 8.250 nan 0.000 0.440 89 N N 0.952 119.656 118.700 0.006 0.000 2.142 89 N HA -0.149 4.617 4.740 0.044 0.000 0.186 89 N C 1.976 177.503 175.510 0.029 0.000 1.023 89 N CA 1.648 54.703 53.050 0.009 0.000 0.852 89 N CB -0.528 37.955 38.487 -0.007 0.000 0.998 89 N HN 0.279 nan 8.380 nan 0.000 0.424 90 V N -0.003 119.932 119.914 0.034 0.000 2.343 90 V HA -0.150 3.996 4.120 0.044 0.000 0.247 90 V C 2.210 178.346 176.094 0.070 0.000 1.051 90 V CA 1.385 63.715 62.300 0.051 0.000 1.036 90 V CB -0.571 31.278 31.823 0.044 0.000 0.654 90 V HN 0.127 nan 8.190 nan 0.000 0.451 91 R N 0.331 120.867 120.500 0.061 0.000 2.096 91 R HA -0.082 4.284 4.340 0.044 0.000 0.235 91 R C 2.509 178.857 176.300 0.080 0.000 1.127 91 R CA 1.959 58.105 56.100 0.076 0.000 0.968 91 R CB -0.929 29.403 30.300 0.054 0.000 0.861 91 R HN 0.619 nan 8.270 nan 0.000 0.440 92 T N 1.055 115.641 114.554 0.052 0.000 2.708 92 T HA -0.139 4.237 4.350 0.044 0.000 0.266 92 T C 1.977 176.701 174.700 0.041 0.000 1.037 92 T CA 1.502 63.622 62.100 0.034 0.000 1.146 92 T CB -0.239 68.637 68.868 0.013 0.000 0.865 92 T HN 0.376 nan 8.240 nan 0.000 0.435 93 A N 1.243 124.101 122.820 0.062 0.000 1.902 93 A HA -0.121 4.225 4.320 0.044 0.000 0.217 93 A C 2.558 180.272 177.584 0.217 0.000 1.181 93 A CA 2.075 54.166 52.037 0.091 0.000 0.623 93 A CB -1.244 17.827 19.000 0.118 0.000 0.818 93 A HN 0.476 nan 8.150 nan 0.000 0.443 94 T N 0.171 114.873 114.554 0.248 0.000 2.674 94 T HA -0.110 4.266 4.350 0.044 0.000 0.265 94 T C 1.735 176.730 174.700 0.491 0.000 1.039 94 T CA 1.538 63.864 62.100 0.377 0.000 1.150 94 T CB -0.274 68.746 68.868 0.254 0.000 0.864 94 T HN 0.464 nan 8.240 nan 0.000 0.427 95 E N 1.752 122.124 120.200 0.287 0.000 2.265 95 E HA -0.059 4.317 4.350 0.044 0.000 0.196 95 E C 2.430 179.081 176.600 0.086 0.000 0.996 95 E CA 0.868 57.382 56.400 0.191 0.000 0.832 95 E CB -0.653 29.096 29.700 0.081 0.000 0.756 95 E HN 0.671 nan 8.360 nan 0.000 0.491 96 S N -0.372 115.311 115.700 -0.029 0.000 2.528 96 S HA -0.094 4.402 4.470 0.044 0.000 0.244 96 S C 1.459 175.839 174.600 -0.366 0.000 0.982 96 S CA 0.613 58.659 58.200 -0.256 0.000 0.953 96 S CB -0.396 62.552 63.200 -0.420 0.000 0.754 96 S HN 0.148 nan 8.310 nan 0.000 0.529 97 F N 0.911 120.942 119.950 0.135 0.000 2.694 97 F HA 0.547 5.101 4.527 0.045 0.000 0.292 97 F C 2.498 178.413 175.800 0.191 0.000 1.121 97 F CA -0.325 57.783 58.000 0.181 0.000 1.352 97 F CB -0.740 38.404 39.000 0.240 0.000 1.107 97 F HN 0.212 nan 8.300 nan 0.000 0.597 98 A N 0.703 123.665 122.820 0.238 0.000 2.009 98 A HA -0.308 4.038 4.320 0.044 0.000 0.222 98 A C 2.365 179.896 177.584 -0.090 0.000 1.175 98 A CA 2.406 54.314 52.037 -0.214 0.000 0.651 98 A CB -1.271 17.549 19.000 -0.300 0.000 0.815 98 A HN 0.437 nan 8.150 nan 0.000 0.459 99 S N -0.482 115.219 115.700 0.002 0.000 2.392 99 S HA -0.176 4.321 4.470 0.044 0.000 0.232 99 S C 0.863 175.480 174.600 0.028 0.000 1.041 99 S CA 1.202 59.405 58.200 0.005 0.000 1.026 99 S CB -0.415 62.791 63.200 0.010 0.000 0.845 99 S HN 0.624 nan 8.310 nan 0.000 0.465 100 D N 2.224 122.672 120.400 0.081 0.000 2.412 100 D HA 0.357 5.023 4.640 0.044 0.000 0.224 100 D C -2.172 174.195 176.300 0.111 0.000 1.093 100 D CA -2.469 51.584 54.000 0.088 0.000 0.850 100 D CB 1.710 42.577 40.800 0.111 0.000 1.046 100 D HN -0.019 nan 8.370 nan 0.000 0.507 101 P HA -0.004 nan 4.420 nan 0.000 0.222 101 P C 1.419 178.783 177.300 0.108 0.000 1.147 101 P CA 0.723 63.869 63.100 0.077 0.000 0.790 101 P CB 0.476 32.197 31.700 0.034 0.000 0.780 102 I N -1.657 118.960 120.570 0.078 0.000 2.339 102 I HA -0.093 4.103 4.170 0.044 0.000 0.245 102 I C 1.622 177.777 176.117 0.062 0.000 1.096 102 I CA 0.915 62.245 61.300 0.049 0.000 1.408 102 I CB -0.338 37.664 38.000 0.004 0.000 1.092 102 I HN -0.128 nan 8.210 nan 0.000 0.423 103 L N 0.179 121.453 121.223 0.085 0.000 2.592 103 L HA 0.056 4.422 4.340 0.044 0.000 0.227 103 L C 0.335 177.276 176.870 0.119 0.000 1.127 103 L CA 0.339 55.224 54.840 0.076 0.000 0.884 103 L CB -1.152 40.949 42.059 0.069 0.000 1.065 103 L HN 0.212 nan 8.230 nan 0.000 0.457 104 Y N 1.785 122.118 120.300 0.055 0.000 2.436 104 Y HA 0.257 4.834 4.550 0.044 0.000 0.336 104 Y C 0.152 176.063 175.900 0.019 0.000 1.049 104 Y CA -0.546 57.588 58.100 0.057 0.000 1.294 104 Y CB 0.353 38.863 38.460 0.083 0.000 1.179 104 Y HN -0.014 nan 8.280 nan 0.000 0.520 105 R N 8.127 128.228 120.500 -0.665 0.000 2.247 105 R HA 0.354 4.721 4.340 0.044 0.000 0.329 105 R C -2.561 173.240 176.300 -0.832 0.000 1.014 105 R CA -2.158 53.577 56.100 -0.610 0.000 0.907 105 R CB 0.304 30.364 30.300 -0.400 0.000 1.146 105 R HN 0.516 nan 8.270 nan 0.000 0.499 106 P HA 0.012 nan 4.420 nan 0.000 0.269 106 P C -0.564 176.682 177.300 -0.090 0.000 1.217 106 P CA -0.090 62.775 63.100 -0.391 0.000 0.783 106 P CB 0.919 32.578 31.700 -0.067 0.000 0.898 107 V N 0.769 120.677 119.914 -0.011 0.000 2.709 107 V HA 0.580 4.726 4.120 0.044 0.000 0.308 107 V C 0.257 176.378 176.094 0.045 0.000 1.062 107 V CA -0.919 61.364 62.300 -0.028 0.000 0.901 107 V CB 1.778 33.572 31.823 -0.049 0.000 1.003 107 V HN 0.789 nan 8.190 nan 0.000 0.425 108 A N 3.695 126.537 122.820 0.037 0.000 2.293 108 A HA 0.837 5.183 4.320 0.044 0.000 0.302 108 A C -0.627 176.959 177.584 0.005 0.000 1.119 108 A CA -0.482 51.589 52.037 0.057 0.000 0.823 108 A CB 1.232 20.293 19.000 0.102 0.000 1.097 108 A HN 0.727 nan 8.150 nan 0.000 0.491 109 V N 1.313 121.219 119.914 -0.014 0.000 2.384 109 V HA 0.647 4.793 4.120 0.044 0.000 0.287 109 V C 0.386 176.403 176.094 -0.129 0.000 1.020 109 V CA -0.135 62.137 62.300 -0.047 0.000 0.850 109 V CB 1.020 32.826 31.823 -0.028 0.000 0.987 109 V HN 1.182 nan 8.190 nan 0.000 0.436 110 A N 5.029 127.725 122.820 -0.207 0.000 2.350 110 A HA 0.905 5.251 4.320 0.044 0.000 0.324 110 A C -1.150 176.186 177.584 -0.414 0.000 1.118 110 A CA -0.608 51.152 52.037 -0.462 0.000 0.783 110 A CB 1.574 20.039 19.000 -0.891 0.000 1.236 110 A HN 0.893 nan 8.150 nan 0.000 0.457 111 L N 1.748 122.688 121.223 -0.471 0.000 2.298 111 L HA 0.510 4.876 4.340 0.044 0.000 0.284 111 L C -0.881 175.790 176.870 -0.332 0.000 1.013 111 L CA -0.336 54.275 54.840 -0.382 0.000 0.824 111 L CB 1.258 43.038 42.059 -0.465 0.000 1.221 111 L HN 0.633 nan 8.230 nan 0.000 0.418 112 D N 3.432 123.753 120.400 -0.131 0.000 2.280 112 D HA 0.183 4.850 4.640 0.044 0.000 0.243 112 D C -0.614 175.717 176.300 0.051 0.000 1.129 112 D CA -0.054 53.979 54.000 0.055 0.000 0.848 112 D CB 1.255 42.169 40.800 0.191 0.000 1.107 112 D HN 0.632 nan 8.370 nan 0.000 0.471 113 T N 3.488 118.070 114.554 0.047 0.000 2.901 113 T HA -0.004 4.372 4.350 0.044 0.000 0.301 113 T C 1.444 176.218 174.700 0.124 0.000 1.012 113 T CA -0.134 62.001 62.100 0.058 0.000 1.135 113 T CB 1.505 70.404 68.868 0.051 0.000 0.936 113 T HN 0.408 nan 8.240 nan 0.000 0.539 114 K N 2.655 123.140 120.400 0.142 0.000 2.025 114 K HA 0.027 4.373 4.320 0.044 0.000 0.207 114 K C 1.244 177.943 176.600 0.165 0.000 1.049 114 K CA 1.254 57.623 56.287 0.138 0.000 0.933 114 K CB -0.617 31.950 32.500 0.112 0.000 0.714 114 K HN 0.928 nan 8.250 nan 0.000 0.438 115 G N 0.241 109.123 108.800 0.137 0.000 2.697 115 G HA2 -0.221 3.765 3.960 0.044 0.000 0.240 115 G HA3 -0.221 3.765 3.960 0.044 0.000 0.240 115 G C -2.351 172.580 174.900 0.051 0.000 1.346 115 G CA -0.184 45.004 45.100 0.147 0.000 0.887 115 G HN 0.282 nan 8.290 nan 0.000 0.569 116 P HA 0.220 nan 4.420 nan 0.000 0.237 116 P C 0.113 177.147 177.300 -0.443 0.000 1.701 116 P CA 0.485 63.438 63.100 -0.245 0.000 0.955 116 P CB -0.248 31.279 31.700 -0.288 0.000 1.937 117 E N 0.747 120.799 120.200 -0.246 0.000 2.349 117 E HA 0.351 4.727 4.350 0.044 0.000 0.265 117 E C 0.087 176.562 176.600 -0.208 0.000 1.064 117 E CA -0.575 55.689 56.400 -0.226 0.000 0.886 117 E CB 1.080 30.757 29.700 -0.039 0.000 1.036 117 E HN 0.237 nan 8.360 nan 0.000 0.413 118 I N 2.527 122.987 120.570 -0.184 0.000 2.418 118 I HA 0.369 4.565 4.170 0.044 0.000 0.287 118 I C -0.123 175.955 176.117 -0.065 0.000 1.008 118 I CA -0.500 60.719 61.300 -0.135 0.000 1.104 118 I CB 1.393 39.304 38.000 -0.149 0.000 1.264 118 I HN 0.266 nan 8.210 nan 0.000 0.438 119 R N 2.685 123.146 120.500 -0.066 0.000 2.795 119 R HA 0.467 4.833 4.340 0.044 0.000 0.275 119 R C 0.628 176.884 176.300 -0.073 0.000 0.981 119 R CA -0.584 55.500 56.100 -0.026 0.000 0.917 119 R CB 2.479 32.794 30.300 0.025 0.000 1.202 119 R HN 0.755 nan 8.270 nan 0.000 0.469 120 T N -1.298 113.257 114.554 0.001 0.000 2.688 120 T HA 0.321 4.697 4.350 0.044 0.000 0.237 120 T C 1.003 175.798 174.700 0.160 0.000 1.120 120 T CA 0.789 62.904 62.100 0.025 0.000 1.469 120 T CB -0.178 68.738 68.868 0.079 0.000 1.032 120 T HN 0.734 nan 8.240 nan 0.000 0.405 121 G N 0.254 109.202 108.800 0.246 0.000 2.344 121 G HA2 0.406 4.393 3.960 0.044 0.000 0.282 121 G HA3 0.406 4.393 3.960 0.044 0.000 0.282 121 G C -1.818 173.217 174.900 0.225 0.000 1.281 121 G CA -0.770 44.554 45.100 0.373 0.000 0.877 121 G HN 0.530 nan 8.290 nan 0.000 0.494 122 L N 0.429 121.762 121.223 0.184 0.000 2.395 122 L HA 0.616 4.982 4.340 0.044 0.000 0.269 122 L C 0.405 177.335 176.870 0.100 0.000 1.133 122 L CA -0.347 54.560 54.840 0.111 0.000 0.812 122 L CB 1.012 43.112 42.059 0.068 0.000 1.125 122 L HN 0.607 nan 8.230 nan 0.000 0.452 123 I N 3.044 123.659 120.570 0.075 0.000 2.392 123 I HA 0.265 4.461 4.170 0.044 0.000 0.295 123 I C 0.866 177.009 176.117 0.043 0.000 0.985 123 I CA 0.230 61.566 61.300 0.061 0.000 1.221 123 I CB 0.434 38.469 38.000 0.058 0.000 1.366 123 I HN 0.550 nan 8.210 nan 0.000 0.467 124 K N 4.024 124.444 120.400 0.033 0.000 1.730 124 K HA -0.293 4.053 4.320 0.044 0.000 0.119 124 K C 0.998 177.612 176.600 0.023 0.000 1.058 124 K CA 2.252 58.552 56.287 0.022 0.000 0.351 124 K CB -1.631 30.880 32.500 0.018 0.000 0.634 124 K HN 0.920 nan 8.250 nan 0.000 0.895 125 G N -0.924 107.888 108.800 0.018 0.000 2.615 125 G HA2 0.167 4.153 3.960 0.044 0.000 0.213 125 G HA3 0.167 4.153 3.960 0.044 0.000 0.213 125 G C 1.114 176.023 174.900 0.015 0.000 1.215 125 G CA 2.172 47.280 45.100 0.014 0.000 0.843 125 G HN 0.955 nan 8.290 nan 0.000 0.571 126 S N -2.658 113.052 115.700 0.017 0.000 5.203 126 S HA 0.460 4.956 4.470 0.044 0.000 0.202 126 S C 1.145 175.756 174.600 0.019 0.000 1.245 126 S CA 0.756 58.967 58.200 0.018 0.000 0.991 126 S CB -0.176 63.030 63.200 0.011 0.000 1.932 126 S HN 2.083 nan 8.310 nan 0.000 0.521 127 G N 1.142 109.949 108.800 0.013 0.000 2.578 127 G HA2 -0.258 3.729 3.960 0.044 0.000 0.275 127 G HA3 -0.258 3.729 3.960 0.044 0.000 0.275 127 G C 0.785 175.694 174.900 0.015 0.000 1.271 127 G CA 0.963 46.070 45.100 0.012 0.000 0.941 127 G HN 1.564 nan 8.290 nan 0.000 0.564 128 T N 1.438 116.001 114.554 0.016 0.000 2.897 128 T HA 0.244 4.620 4.350 0.044 0.000 0.271 128 T C 1.532 176.250 174.700 0.029 0.000 1.084 128 T CA 2.639 64.750 62.100 0.017 0.000 1.123 128 T CB -0.848 68.029 68.868 0.016 0.000 0.865 128 T HN 2.538 nan 8.240 nan 0.000 0.496 129 A N 1.331 124.172 122.820 0.036 0.000 1.524 129 A HA -0.042 4.304 4.320 0.044 0.000 0.196 129 A C 0.017 177.642 177.584 0.070 0.000 1.263 129 A CA 0.262 52.328 52.037 0.048 0.000 0.624 129 A CB -0.678 18.349 19.000 0.045 0.000 1.151 129 A HN 0.321 nan 8.150 nan 0.000 0.179 130 E N -0.075 120.175 120.200 0.084 0.000 2.446 130 E HA 0.876 5.252 4.350 0.044 0.000 0.276 130 E C 0.010 176.675 176.600 0.108 0.000 0.969 130 E CA 0.024 56.505 56.400 0.135 0.000 0.800 130 E CB 2.113 31.919 29.700 0.177 0.000 1.341 130 E HN 1.471 nan 8.360 nan 0.000 0.460 131 V N -0.001 119.982 119.914 0.115 0.000 3.167 131 V HA 0.563 4.710 4.120 0.044 0.000 0.308 131 V C -1.844 174.088 176.094 -0.270 0.000 1.650 131 V CA -0.476 61.807 62.300 -0.027 0.000 0.988 131 V CB 2.245 34.053 31.823 -0.026 0.000 1.033 131 V HN 0.706 nan 8.190 nan 0.000 0.483 132 E N 0.085 120.093 120.200 -0.319 0.000 2.647 132 E HA 0.427 4.803 4.350 0.044 0.000 0.320 132 E C -1.234 175.194 176.600 -0.287 0.000 0.951 132 E CA -0.324 55.756 56.400 -0.533 0.000 0.809 132 E CB 1.161 30.464 29.700 -0.661 0.000 1.295 132 E HN 0.417 nan 8.360 nan 0.000 0.407 133 L N 2.273 123.351 121.223 -0.242 0.000 2.685 133 L HA 0.366 4.733 4.340 0.044 0.000 0.235 133 L C 0.275 177.074 176.870 -0.117 0.000 1.070 133 L CA -0.212 54.545 54.840 -0.139 0.000 0.888 133 L CB -0.818 41.184 42.059 -0.095 0.000 1.203 133 L HN 0.604 nan 8.230 nan 0.000 0.499 134 K N 2.695 123.014 120.400 -0.135 0.000 2.403 134 K HA -0.246 4.100 4.320 0.044 0.000 0.244 134 K C 0.598 177.168 176.600 -0.050 0.000 1.095 134 K CA 0.584 56.823 56.287 -0.079 0.000 1.146 134 K CB -0.382 32.069 32.500 -0.082 0.000 0.784 134 K HN 0.070 nan 8.250 nan 0.000 0.504 135 K N 0.616 120.996 120.400 -0.033 0.000 2.365 135 K HA -0.277 4.069 4.320 0.044 0.000 0.354 135 K C 0.926 177.508 176.600 -0.030 0.000 1.535 135 K CA 1.909 58.180 56.287 -0.025 0.000 0.919 135 K CB -1.040 31.453 32.500 -0.012 0.000 1.108 135 K HN 1.225 nan 8.250 nan 0.000 0.893 136 G N -0.923 107.863 108.800 -0.023 0.000 2.569 136 G HA2 -0.064 3.922 3.960 0.044 0.000 0.259 136 G HA3 -0.064 3.922 3.960 0.044 0.000 0.259 136 G C 0.233 175.117 174.900 -0.026 0.000 1.263 136 G CA 1.279 46.366 45.100 -0.022 0.000 0.928 136 G HN 1.374 nan 8.290 nan 0.000 0.572 137 A N -2.858 119.948 122.820 -0.025 0.000 3.179 137 A HA 1.018 5.364 4.320 0.044 0.000 0.213 137 A C 1.122 178.689 177.584 -0.028 0.000 1.752 137 A CA 1.608 53.630 52.037 -0.024 0.000 0.857 137 A CB 0.119 19.109 19.000 -0.017 0.000 1.798 137 A HN 2.742 nan 8.150 nan 0.000 0.606 138 T N -1.990 112.551 114.554 -0.023 0.000 2.589 138 T HA -0.089 4.287 4.350 0.044 0.000 0.111 138 T C -0.094 174.595 174.700 -0.019 0.000 2.567 138 T CA -0.121 61.964 62.100 -0.024 0.000 1.049 138 T CB -1.599 67.246 68.868 -0.037 0.000 2.585 138 T HN 2.229 nan 8.240 nan 0.000 0.234 139 L N 0.873 122.082 121.223 -0.024 0.000 4.289 139 L HA -0.187 4.179 4.340 0.044 0.000 0.560 139 L C -0.007 176.868 176.870 0.009 0.000 1.003 139 L CA 1.115 55.946 54.840 -0.015 0.000 0.793 139 L CB -0.036 42.009 42.059 -0.024 0.000 0.562 139 L HN 0.701 nan 8.230 nan 0.000 1.014 140 K N 7.170 127.587 120.400 0.028 0.000 2.604 140 K HA 0.483 4.829 4.320 0.044 0.000 0.247 140 K C -0.260 176.403 176.600 0.104 0.000 0.956 140 K CA -0.770 55.566 56.287 0.083 0.000 0.896 140 K CB 0.747 33.311 32.500 0.107 0.000 1.131 140 K HN 0.538 nan 8.250 nan 0.000 0.440 141 I N 1.408 122.042 120.570 0.107 0.000 2.428 141 I HA 0.407 4.603 4.170 0.044 0.000 0.289 141 I C -0.233 176.001 176.117 0.195 0.000 1.019 141 I CA -0.334 61.036 61.300 0.117 0.000 1.351 141 I CB 1.376 39.406 38.000 0.051 0.000 1.412 141 I HN 0.484 nan 8.210 nan 0.000 0.513 142 T N 3.125 117.820 114.554 0.236 0.000 2.879 142 T HA 0.432 4.809 4.350 0.044 0.000 0.290 142 T C 0.549 175.417 174.700 0.281 0.000 0.993 142 T CA -0.794 61.478 62.100 0.288 0.000 0.975 142 T CB 1.848 70.900 68.868 0.307 0.000 0.981 142 T HN 0.470 nan 8.240 nan 0.000 0.439 143 L N 1.074 122.411 121.223 0.190 0.000 2.450 143 L HA 0.109 4.475 4.340 0.044 0.000 0.224 143 L C 1.300 178.383 176.870 0.355 0.000 1.149 143 L CA 0.912 55.840 54.840 0.147 0.000 0.816 143 L CB -1.142 40.949 42.059 0.053 0.000 0.932 143 L HN 0.803 nan 8.230 nan 0.000 0.449 144 D N 0.176 120.755 120.400 0.299 0.000 2.455 144 D HA -0.114 4.552 4.640 0.044 0.000 0.265 144 D C 1.029 177.440 176.300 0.184 0.000 1.284 144 D CA 0.307 54.417 54.000 0.182 0.000 0.944 144 D CB 0.281 41.125 40.800 0.073 0.000 1.121 144 D HN 0.156 nan 8.370 nan 0.000 0.525 145 N N 3.122 121.858 118.700 0.059 0.000 2.519 145 N HA -0.114 4.652 4.740 0.044 0.000 0.186 145 N C 1.739 176.912 175.510 -0.561 0.000 1.062 145 N CA 0.817 53.626 53.050 -0.402 0.000 0.910 145 N CB -0.041 38.315 38.487 -0.219 0.000 0.958 145 N HN 0.513 nan 8.380 nan 0.000 0.445 146 A N 0.787 123.339 122.820 -0.446 0.000 1.906 146 A HA -0.261 4.086 4.320 0.044 0.000 0.222 146 A C 0.831 178.046 177.584 -0.616 0.000 1.282 146 A CA 1.747 53.408 52.037 -0.627 0.000 0.675 146 A CB -1.123 17.275 19.000 -1.003 0.000 0.838 146 A HN 0.506 nan 8.150 nan 0.000 0.469 147 Y N -1.030 119.152 120.300 -0.197 0.000 2.718 147 Y HA 0.410 4.986 4.550 0.044 0.000 0.322 147 Y C 1.447 177.179 175.900 -0.280 0.000 1.122 147 Y CA 0.131 58.136 58.100 -0.158 0.000 1.348 147 Y CB -0.580 37.860 38.460 -0.033 0.000 1.174 147 Y HN 0.396 nan 8.280 nan 0.000 0.523 148 M N 0.347 119.608 119.600 -0.566 0.000 2.521 148 M HA -0.232 4.274 4.480 0.044 0.000 0.260 148 M C 0.322 176.401 176.300 -0.369 0.000 1.068 148 M CA 2.051 56.739 55.300 -1.020 0.000 1.060 148 M CB 0.135 32.001 32.600 -1.222 0.000 1.398 148 M HN 0.448 nan 8.290 nan 0.000 0.473 149 E N -1.589 118.523 120.200 -0.146 0.000 2.702 149 E HA 0.111 4.487 4.350 0.044 0.000 0.225 149 E C 0.244 176.860 176.600 0.028 0.000 0.942 149 E CA 0.155 56.537 56.400 -0.031 0.000 1.210 149 E CB 0.817 30.485 29.700 -0.054 0.000 1.143 149 E HN 0.293 nan 8.360 nan 0.000 0.544 150 K N 1.012 121.447 120.400 0.057 0.000 3.206 150 K HA 0.358 4.705 4.320 0.044 0.000 0.180 150 K C -0.454 176.184 176.600 0.063 0.000 1.088 150 K CA -0.388 55.936 56.287 0.062 0.000 0.872 150 K CB -0.724 31.811 32.500 0.060 0.000 0.976 150 K HN 0.056 nan 8.250 nan 0.000 0.564 151 C N 2.606 121.957 119.300 0.084 0.000 2.601 151 C HA 0.681 5.167 4.460 0.044 0.000 0.409 151 C C 0.223 175.221 174.990 0.013 0.000 1.293 151 C CA -0.282 58.775 59.018 0.064 0.000 2.101 151 C CB 0.104 27.920 27.740 0.127 0.000 2.639 151 C HN 0.918 nan 8.230 nan 0.000 0.592 152 D N 0.053 120.434 120.400 -0.032 0.000 2.610 152 D HA 0.231 4.898 4.640 0.044 0.000 0.271 152 D C 0.184 176.453 176.300 -0.051 0.000 1.174 152 D CA -0.765 53.212 54.000 -0.040 0.000 0.949 152 D CB 0.147 40.914 40.800 -0.055 0.000 1.430 152 D HN 0.380 nan 8.370 nan 0.000 0.467 153 E N -0.507 119.660 120.200 -0.055 0.000 2.413 153 E HA -0.205 4.171 4.350 0.044 0.000 0.206 153 E C 0.685 177.249 176.600 -0.061 0.000 1.047 153 E CA 1.505 57.865 56.400 -0.066 0.000 0.859 153 E CB -0.250 29.406 29.700 -0.073 0.000 0.771 153 E HN 0.355 nan 8.360 nan 0.000 0.527 154 N N -0.915 117.745 118.700 -0.066 0.000 2.297 154 N HA 0.099 4.865 4.740 0.044 0.000 0.208 154 N C -0.366 175.106 175.510 -0.063 0.000 1.176 154 N CA 0.174 53.187 53.050 -0.062 0.000 0.882 154 N CB 1.408 39.854 38.487 -0.069 0.000 1.134 154 N HN 0.024 nan 8.380 nan 0.000 0.489 155 I N 1.857 122.373 120.570 -0.090 0.000 2.499 155 I HA 0.376 4.572 4.170 0.044 0.000 0.288 155 I C -0.869 175.241 176.117 -0.011 0.000 1.048 155 I CA -0.776 60.475 61.300 -0.083 0.000 1.062 155 I CB 2.114 39.952 38.000 -0.270 0.000 1.238 155 I HN -0.165 nan 8.210 nan 0.000 0.426 156 L N 6.335 127.599 121.223 0.068 0.000 2.362 156 L HA 0.582 4.948 4.340 0.044 0.000 0.275 156 L C -1.491 175.509 176.870 0.217 0.000 0.998 156 L CA -0.238 54.675 54.840 0.123 0.000 0.820 156 L CB 2.126 44.226 42.059 0.069 0.000 1.270 156 L HN 0.652 nan 8.230 nan 0.000 0.415 157 W N 6.411 127.762 121.300 0.085 0.000 2.391 157 W HA 0.665 5.351 4.660 0.044 0.000 0.311 157 W C -1.672 174.894 176.519 0.078 0.000 1.087 157 W CA -0.532 56.873 57.345 0.100 0.000 1.209 157 W CB 1.090 30.623 29.460 0.122 0.000 1.273 157 W HN 0.399 nan 8.180 nan 0.000 0.482 158 L N 5.152 125.901 121.223 -0.790 0.000 2.332 158 L HA 0.329 4.695 4.340 0.044 0.000 0.269 158 L C 0.977 177.056 176.870 -1.319 0.000 1.016 158 L CA -0.314 54.071 54.840 -0.758 0.000 0.809 158 L CB 1.486 43.342 42.059 -0.337 0.000 1.280 158 L HN 0.552 nan 8.230 nan 0.000 0.447 159 D N -1.207 118.728 120.400 -0.775 0.000 2.368 159 D HA -0.041 4.626 4.640 0.044 0.000 0.218 159 D C -0.385 175.819 176.300 -0.159 0.000 1.112 159 D CA 0.006 53.675 54.000 -0.552 0.000 0.834 159 D CB -0.191 40.453 40.800 -0.259 0.000 0.953 159 D HN 0.256 nan 8.370 nan 0.000 0.505 160 Y N 1.946 122.068 120.300 -0.297 0.000 2.587 160 Y HA 0.362 4.939 4.550 0.044 0.000 0.328 160 Y C 0.924 176.741 175.900 -0.139 0.000 0.980 160 Y CA -1.718 56.278 58.100 -0.173 0.000 1.272 160 Y CB 0.747 39.114 38.460 -0.154 0.000 1.094 160 Y HN -0.267 nan 8.280 nan 0.000 0.503 161 K N 2.547 122.865 120.400 -0.136 0.000 2.009 161 K HA -0.193 4.154 4.320 0.044 0.000 0.210 161 K C 0.833 177.203 176.600 -0.383 0.000 1.049 161 K CA 2.099 58.266 56.287 -0.201 0.000 0.929 161 K CB 0.075 32.549 32.500 -0.043 0.000 0.714 161 K HN 0.512 nan 8.250 nan 0.000 0.440 162 N N 1.138 119.520 118.700 -0.529 0.000 2.461 162 N HA 0.033 4.800 4.740 0.044 0.000 0.188 162 N C 1.299 176.375 175.510 -0.723 0.000 1.134 162 N CA 0.022 52.796 53.050 -0.460 0.000 0.878 162 N CB -0.100 38.285 38.487 -0.170 0.000 0.972 162 N HN 0.180 nan 8.380 nan 0.000 0.456 163 I N -0.149 119.614 120.570 -1.344 0.000 2.227 163 I HA -0.467 3.729 4.170 0.044 0.000 0.250 163 I C 1.097 177.030 176.117 -0.306 0.000 1.087 163 I CA 1.362 62.142 61.300 -0.866 0.000 1.352 163 I CB -0.051 37.633 38.000 -0.527 0.000 1.043 163 I HN 0.244 nan 8.210 nan 0.000 0.425 164 C N 0.920 120.064 119.300 -0.260 0.000 2.435 164 C HA -0.110 4.376 4.460 0.044 0.000 0.279 164 C C 2.429 177.352 174.990 -0.112 0.000 1.321 164 C CA 0.821 59.746 59.018 -0.154 0.000 1.752 164 C CB -1.150 26.512 27.740 -0.130 0.000 1.959 164 C HN 0.491 nan 8.230 nan 0.000 0.500 165 K N 1.112 121.446 120.400 -0.110 0.000 2.418 165 K HA 0.008 4.354 4.320 0.044 0.000 0.195 165 K C 1.621 178.203 176.600 -0.030 0.000 1.035 165 K CA 1.098 57.349 56.287 -0.061 0.000 1.003 165 K CB -0.050 32.421 32.500 -0.050 0.000 0.793 165 K HN 0.613 nan 8.250 nan 0.000 0.494 166 V N -1.739 118.164 119.914 -0.018 0.000 3.431 166 V HA 0.082 4.228 4.120 0.044 0.000 0.253 166 V C 0.844 176.946 176.094 0.014 0.000 1.184 166 V CA -0.469 61.846 62.300 0.026 0.000 1.104 166 V CB -0.039 31.848 31.823 0.107 0.000 0.799 166 V HN 0.003 nan 8.190 nan 0.000 0.462 167 V N -1.032 118.876 119.914 -0.010 0.000 2.713 167 V HA 0.746 4.892 4.120 0.044 0.000 0.307 167 V C -0.860 175.211 176.094 -0.039 0.000 1.052 167 V CA -0.434 61.856 62.300 -0.017 0.000 0.967 167 V CB 1.745 33.554 31.823 -0.023 0.000 1.019 167 V HN 0.325 nan 8.190 nan 0.000 0.459 168 D N 0.849 121.227 120.400 -0.036 0.000 2.714 168 D HA 0.397 5.063 4.640 0.044 0.000 0.278 168 D C -0.790 175.480 176.300 -0.050 0.000 1.102 168 D CA -0.433 53.540 54.000 -0.045 0.000 1.108 168 D CB 2.328 43.109 40.800 -0.033 0.000 1.444 168 D HN 0.684 nan 8.370 nan 0.000 0.568 169 V N 0.059 119.942 119.914 -0.052 0.000 2.637 169 V HA 0.414 4.560 4.120 0.044 0.000 0.296 169 V C 1.218 177.289 176.094 -0.037 0.000 1.046 169 V CA 1.692 63.962 62.300 -0.051 0.000 1.066 169 V CB 0.251 32.044 31.823 -0.049 0.000 0.968 169 V HN 0.905 nan 8.190 nan 0.000 0.483 170 G N 4.070 112.848 108.800 -0.037 0.000 2.234 170 G HA2 -0.234 3.752 3.960 0.044 0.000 0.235 170 G HA3 -0.234 3.752 3.960 0.044 0.000 0.235 170 G C 0.479 175.365 174.900 -0.024 0.000 0.997 170 G CA 0.219 45.303 45.100 -0.028 0.000 0.623 170 G HN 1.132 nan 8.290 nan 0.000 0.514 171 S N 1.903 117.588 115.700 -0.026 0.000 2.568 171 S HA 0.486 4.983 4.470 0.044 0.000 0.282 171 S C 0.439 175.023 174.600 -0.027 0.000 1.338 171 S CA 0.003 58.194 58.200 -0.014 0.000 1.045 171 S CB 1.112 64.304 63.200 -0.013 0.000 0.873 171 S HN 0.389 nan 8.310 nan 0.000 0.516 172 K N 1.525 121.920 120.400 -0.008 0.000 2.110 172 K HA 0.592 4.938 4.320 0.044 0.000 0.263 172 K C -0.928 175.633 176.600 -0.065 0.000 0.975 172 K CA -0.621 55.622 56.287 -0.072 0.000 0.895 172 K CB 1.561 34.040 32.500 -0.034 0.000 1.060 172 K HN 0.343 nan 8.250 nan 0.000 0.448 173 V N 3.310 123.105 119.914 -0.199 0.000 2.524 173 V HA 0.273 4.419 4.120 0.044 0.000 0.297 173 V C -1.337 174.624 176.094 -0.221 0.000 1.035 173 V CA -0.949 61.291 62.300 -0.100 0.000 0.867 173 V CB 0.954 32.743 31.823 -0.058 0.000 1.004 173 V HN 0.552 nan 8.190 nan 0.000 0.426 174 Y N 3.363 123.673 120.300 0.017 0.000 2.342 174 Y HA 0.733 5.310 4.550 0.044 0.000 0.334 174 Y C 0.169 176.084 175.900 0.026 0.000 1.067 174 Y CA -0.730 57.384 58.100 0.023 0.000 1.128 174 Y CB 1.945 40.423 38.460 0.030 0.000 1.200 174 Y HN 0.380 nan 8.280 nan 0.000 0.464 175 V N 1.825 121.826 119.914 0.143 0.000 2.789 175 V HA 0.302 4.448 4.120 0.044 0.000 0.311 175 V C -0.731 175.431 176.094 0.113 0.000 1.073 175 V CA -1.368 60.994 62.300 0.104 0.000 0.921 175 V CB 1.790 33.647 31.823 0.056 0.000 1.009 175 V HN 0.841 nan 8.190 nan 0.000 0.426 176 D N 3.274 123.737 120.400 0.105 0.000 2.848 176 D HA -0.154 4.512 4.640 0.044 0.000 0.245 176 D C -0.032 176.332 176.300 0.107 0.000 1.122 176 D CA 1.003 55.064 54.000 0.102 0.000 0.769 176 D CB -0.951 39.907 40.800 0.095 0.000 1.025 176 D HN 0.852 nan 8.370 nan 0.000 0.423 177 D N 0.473 120.938 120.400 0.108 0.000 2.705 177 D HA -0.128 4.538 4.640 0.044 0.000 0.240 177 D C 1.382 177.742 176.300 0.100 0.000 1.137 177 D CA 2.076 56.132 54.000 0.094 0.000 0.677 177 D CB -1.477 39.371 40.800 0.079 0.000 1.049 177 D HN 1.134 nan 8.370 nan 0.000 0.427 178 G N -0.712 108.178 108.800 0.149 0.000 2.256 178 G HA2 -0.391 3.596 3.960 0.044 0.000 0.279 178 G HA3 -0.391 3.596 3.960 0.044 0.000 0.279 178 G C 1.322 176.377 174.900 0.258 0.000 0.998 178 G CA 0.961 46.200 45.100 0.233 0.000 0.720 178 G HN 0.561 nan 8.290 nan 0.000 0.521 179 L N -1.003 120.321 121.223 0.168 0.000 2.156 179 L HA 0.223 4.590 4.340 0.044 0.000 0.208 179 L C 1.567 178.515 176.870 0.131 0.000 1.095 179 L CA 0.737 55.658 54.840 0.135 0.000 0.770 179 L CB -0.144 41.978 42.059 0.106 0.000 0.914 179 L HN 0.290 nan 8.230 nan 0.000 0.439 180 I N -0.830 119.814 120.570 0.123 0.000 2.412 180 I HA 0.179 4.375 4.170 0.044 0.000 0.296 180 I C 0.065 176.169 176.117 -0.022 0.000 0.987 180 I CA -0.139 61.193 61.300 0.053 0.000 1.180 180 I CB 1.863 39.885 38.000 0.037 0.000 1.340 180 I HN -0.141 nan 8.210 nan 0.000 0.455 181 S N 7.347 122.974 115.700 -0.121 0.000 2.552 181 S HA 0.712 5.208 4.470 0.044 0.000 0.314 181 S C -0.902 173.541 174.600 -0.263 0.000 1.099 181 S CA -0.586 57.396 58.200 -0.363 0.000 1.070 181 S CB 0.606 63.598 63.200 -0.347 0.000 0.998 181 S HN 0.477 nan 8.310 nan 0.000 0.474 182 L N 3.757 124.806 121.223 -0.290 0.000 2.333 182 L HA 0.654 5.020 4.340 0.044 0.000 0.269 182 L C -0.234 176.536 176.870 -0.166 0.000 1.010 182 L CA -0.785 53.952 54.840 -0.172 0.000 0.818 182 L CB 2.045 44.034 42.059 -0.117 0.000 1.306 182 L HN 0.643 nan 8.230 nan 0.000 0.430 183 Q N 1.213 120.948 119.800 -0.107 0.000 2.292 183 Q HA 0.377 4.744 4.340 0.044 0.000 0.270 183 Q C -1.431 174.530 176.000 -0.065 0.000 1.024 183 Q CA -0.689 55.063 55.803 -0.084 0.000 0.768 183 Q CB 2.343 31.040 28.738 -0.069 0.000 1.250 183 Q HN 0.461 nan 8.270 nan 0.000 0.447 184 V N 6.034 125.911 119.914 -0.062 0.000 2.434 184 V HA -0.061 4.085 4.120 0.044 0.000 0.281 184 V C 0.848 176.906 176.094 -0.060 0.000 1.005 184 V CA 0.615 62.876 62.300 -0.065 0.000 1.089 184 V CB 0.215 31.996 31.823 -0.069 0.000 0.978 184 V HN 0.809 nan 8.190 nan 0.000 0.474 185 K N 3.432 123.797 120.400 -0.058 0.000 2.141 185 K HA 0.115 4.461 4.320 0.044 0.000 0.202 185 K C 0.751 177.316 176.600 -0.059 0.000 1.045 185 K CA 0.530 56.788 56.287 -0.048 0.000 0.971 185 K CB 0.470 32.949 32.500 -0.034 0.000 0.795 185 K HN 0.661 nan 8.250 nan 0.000 0.459 186 Q N 1.192 120.942 119.800 -0.083 0.000 2.321 186 Q HA 0.172 4.539 4.340 0.044 0.000 0.270 186 Q C -1.236 174.631 176.000 -0.222 0.000 1.032 186 Q CA -0.332 55.400 55.803 -0.117 0.000 0.784 186 Q CB 1.921 30.611 28.738 -0.081 0.000 1.264 186 Q HN -0.109 nan 8.270 nan 0.000 0.448 187 K N 3.217 123.485 120.400 -0.220 0.000 2.403 187 K HA 0.339 4.685 4.320 0.044 0.000 0.235 187 K C -0.337 176.044 176.600 -0.366 0.000 1.142 187 K CA -0.241 55.879 56.287 -0.279 0.000 1.114 187 K CB 0.107 32.507 32.500 -0.167 0.000 1.777 187 K HN 0.750 nan 8.250 nan 0.000 0.424 188 G N 2.857 111.214 108.800 -0.740 0.000 2.503 188 G HA2 0.195 4.181 3.960 0.044 0.000 0.257 188 G HA3 0.195 4.181 3.960 0.044 0.000 0.257 188 G C -2.553 172.106 174.900 -0.401 0.000 1.214 188 G CA -1.300 43.376 45.100 -0.706 0.000 0.839 188 G HN 0.352 nan 8.290 nan 0.000 0.559 189 P HA 0.115 nan 4.420 nan 0.000 0.261 189 P C 0.060 177.509 177.300 0.248 0.000 1.203 189 P CA 0.769 63.928 63.100 0.099 0.000 0.767 189 P CB 0.642 32.409 31.700 0.112 0.000 0.785 190 D N 1.804 122.283 120.400 0.133 0.000 3.070 190 D HA -0.191 4.476 4.640 0.044 0.000 0.210 190 D C -0.596 175.878 176.300 0.290 0.000 1.103 190 D CA 1.550 55.650 54.000 0.165 0.000 0.980 190 D CB -1.497 39.398 40.800 0.157 0.000 1.100 190 D HN 0.342 nan 8.370 nan 0.000 0.423 191 F N -1.857 118.089 119.950 -0.005 0.000 2.773 191 F HA 0.671 5.225 4.527 0.044 0.000 0.314 191 F C -2.174 173.621 175.800 -0.008 0.000 1.160 191 F CA -1.420 56.583 58.000 0.006 0.000 0.920 191 F CB 0.875 39.895 39.000 0.033 0.000 1.323 191 F HN -0.175 nan 8.300 nan 0.000 0.457 192 L N 3.101 124.257 121.223 -0.111 0.000 2.439 192 L HA 0.537 4.903 4.340 0.044 0.000 0.270 192 L C -0.853 175.988 176.870 -0.049 0.000 0.972 192 L CA -0.866 53.842 54.840 -0.221 0.000 0.836 192 L CB 1.447 43.430 42.059 -0.126 0.000 1.255 192 L HN 0.672 nan 8.230 nan 0.000 0.404 193 V N 2.979 122.838 119.914 -0.091 0.000 2.385 193 V HA 0.558 4.704 4.120 0.044 0.000 0.269 193 V C 0.759 176.840 176.094 -0.022 0.000 1.043 193 V CA -0.182 62.133 62.300 0.025 0.000 0.906 193 V CB 1.465 33.325 31.823 0.062 0.000 0.995 193 V HN 0.986 nan 8.190 nan 0.000 0.467 194 T N 1.623 116.170 114.554 -0.012 0.000 2.905 194 T HA 0.707 5.083 4.350 0.044 0.000 0.283 194 T C -0.694 173.989 174.700 -0.029 0.000 1.031 194 T CA -0.807 61.274 62.100 -0.032 0.000 1.002 194 T CB 2.420 71.263 68.868 -0.042 0.000 1.200 194 T HN 0.604 nan 8.240 nan 0.000 0.560 195 E N 0.145 120.321 120.200 -0.041 0.000 2.224 195 E HA 0.474 4.850 4.350 0.044 0.000 0.265 195 E C -1.313 175.255 176.600 -0.054 0.000 0.878 195 E CA -1.028 55.348 56.400 -0.040 0.000 0.759 195 E CB 2.344 32.023 29.700 -0.036 0.000 1.164 195 E HN 0.589 nan 8.360 nan 0.000 0.414 196 V N 5.626 125.509 119.914 -0.052 0.000 2.415 196 V HA 0.078 4.224 4.120 0.044 0.000 0.267 196 V C 0.631 176.691 176.094 -0.057 0.000 1.042 196 V CA 0.669 62.933 62.300 -0.061 0.000 1.000 196 V CB 0.746 32.535 31.823 -0.057 0.000 1.015 196 V HN 0.858 nan 8.190 nan 0.000 0.478 197 E N 4.502 124.658 120.200 -0.073 0.000 2.014 197 E HA 0.022 4.398 4.350 0.044 0.000 0.190 197 E C 0.335 176.913 176.600 -0.036 0.000 0.980 197 E CA 0.891 57.257 56.400 -0.057 0.000 0.807 197 E CB 0.167 29.820 29.700 -0.077 0.000 0.770 197 E HN 0.797 nan 8.360 nan 0.000 0.451 198 N N -0.859 117.816 118.700 -0.042 0.000 3.100 198 N HA 0.384 5.151 4.740 0.044 0.000 0.344 198 N C 0.144 175.655 175.510 0.001 0.000 1.413 198 N CA 0.278 53.327 53.050 -0.003 0.000 0.752 198 N CB 0.954 39.460 38.487 0.031 0.000 1.519 198 N HN 0.230 nan 8.380 nan 0.000 0.620 199 G N -1.771 107.050 108.800 0.035 0.000 2.860 199 G HA2 0.088 4.074 3.960 0.044 0.000 0.553 199 G HA3 0.088 4.074 3.960 0.044 0.000 0.553 199 G C 0.192 175.116 174.900 0.039 0.000 1.439 199 G CA 0.117 45.246 45.100 0.049 0.000 0.879 199 G HN 0.889 nan 8.290 nan 0.000 0.545 200 G N -1.246 107.596 108.800 0.069 0.000 2.574 200 G HA2 0.528 4.514 3.960 0.044 0.000 0.158 200 G HA3 0.528 4.514 3.960 0.044 0.000 0.158 200 G C -0.064 174.782 174.900 -0.090 0.000 1.494 200 G CA -0.069 45.051 45.100 0.033 0.000 0.742 200 G HN 0.810 nan 8.290 nan 0.000 0.718 201 F N 2.070 122.031 119.950 0.019 0.000 2.411 201 F HA 0.577 5.130 4.527 0.044 0.000 0.350 201 F C 0.095 175.910 175.800 0.025 0.000 1.114 201 F CA -0.703 57.309 58.000 0.019 0.000 1.135 201 F CB 1.898 40.908 39.000 0.018 0.000 1.120 201 F HN 0.007 nan 8.300 nan 0.000 0.495 202 L N 3.984 125.272 121.223 0.108 0.000 2.317 202 L HA 0.718 5.084 4.340 0.044 0.000 0.281 202 L C 0.005 176.937 176.870 0.103 0.000 1.024 202 L CA 0.064 54.958 54.840 0.089 0.000 0.810 202 L CB 1.110 43.192 42.059 0.039 0.000 1.240 202 L HN 0.715 nan 8.230 nan 0.000 0.427 203 G N 3.042 111.900 108.800 0.098 0.000 2.890 203 G HA2 0.423 4.409 3.960 0.044 0.000 0.189 203 G HA3 0.423 4.409 3.960 0.044 0.000 0.189 203 G C -0.939 174.010 174.900 0.081 0.000 1.342 203 G CA -0.389 44.764 45.100 0.088 0.000 1.026 203 G HN 0.611 nan 8.290 nan 0.000 0.579 204 S N 0.715 116.459 115.700 0.074 0.000 2.462 204 S HA 0.453 4.949 4.470 0.044 0.000 0.294 204 S C -0.376 174.279 174.600 0.093 0.000 1.144 204 S CA -0.527 57.722 58.200 0.083 0.000 1.088 204 S CB 1.333 64.574 63.200 0.068 0.000 1.009 204 S HN 0.477 nan 8.310 nan 0.000 0.484 205 K N 1.325 121.794 120.400 0.116 0.000 3.244 205 K HA -0.117 4.229 4.320 0.044 0.000 0.270 205 K C -0.679 175.996 176.600 0.125 0.000 1.016 205 K CA 0.537 56.902 56.287 0.130 0.000 0.754 205 K CB -1.002 31.585 32.500 0.145 0.000 1.326 205 K HN 0.478 nan 8.250 nan 0.000 0.465 206 K N 0.027 120.490 120.400 0.105 0.000 2.098 206 K HA 0.333 4.679 4.320 0.044 0.000 0.261 206 K C 1.002 177.659 176.600 0.095 0.000 0.987 206 K CA -0.124 56.224 56.287 0.102 0.000 0.916 206 K CB 0.896 33.451 32.500 0.090 0.000 1.039 206 K HN 0.348 nan 8.250 nan 0.000 0.455 207 G N 0.434 109.297 108.800 0.106 0.000 2.398 207 G HA2 0.312 4.298 3.960 0.044 0.000 0.246 207 G HA3 0.312 4.298 3.960 0.044 0.000 0.246 207 G C -0.561 174.388 174.900 0.083 0.000 1.289 207 G CA -0.352 44.807 45.100 0.097 0.000 0.869 207 G HN 0.217 nan 8.290 nan 0.000 0.543 208 V N 3.028 122.974 119.914 0.054 0.000 2.540 208 V HA 0.386 4.533 4.120 0.044 0.000 0.302 208 V C -0.425 175.695 176.094 0.043 0.000 1.035 208 V CA -0.963 61.368 62.300 0.052 0.000 0.873 208 V CB 1.923 33.757 31.823 0.019 0.000 0.992 208 V HN 0.796 nan 8.190 nan 0.000 0.428 209 N N 3.612 122.371 118.700 0.098 0.000 2.240 209 N HA 0.733 5.500 4.740 0.044 0.000 0.302 209 N C -1.302 174.284 175.510 0.126 0.000 1.106 209 N CA -0.584 52.518 53.050 0.087 0.000 0.778 209 N CB 2.050 40.599 38.487 0.104 0.000 1.431 209 N HN 0.406 nan 8.380 nan 0.000 0.479 210 L N 3.001 124.267 121.223 0.072 0.000 2.556 210 L HA 0.397 4.763 4.340 0.044 0.000 0.243 210 L C -1.528 175.386 176.870 0.074 0.000 1.331 210 L CA -1.602 53.290 54.840 0.087 0.000 0.927 210 L CB 0.936 43.028 42.059 0.056 0.000 1.219 210 L HN 0.518 nan 8.230 nan 0.000 0.490 211 P HA -0.155 nan 4.420 nan 0.000 0.218 211 P C 1.018 178.346 177.300 0.047 0.000 1.146 211 P CA 1.292 64.429 63.100 0.062 0.000 0.820 211 P CB 0.459 32.180 31.700 0.035 0.000 0.778 212 G N -1.830 107.001 108.800 0.051 0.000 3.519 212 G HA2 0.493 4.479 3.960 0.044 0.000 0.269 212 G HA3 0.493 4.479 3.960 0.044 0.000 0.269 212 G C 0.288 175.193 174.900 0.008 0.000 1.028 212 G CA 0.354 45.464 45.100 0.017 0.000 0.809 212 G HN 0.512 nan 8.290 nan 0.000 0.521 213 A N -0.183 122.649 122.820 0.019 0.000 2.322 213 A HA 0.833 5.179 4.320 0.044 0.000 0.327 213 A C 0.124 177.713 177.584 0.009 0.000 1.134 213 A CA -0.195 51.854 52.037 0.019 0.000 0.831 213 A CB 1.452 20.478 19.000 0.044 0.000 1.288 213 A HN 0.829 nan 8.150 nan 0.000 0.472 214 A N 1.207 124.035 122.820 0.014 0.000 3.095 214 A HA 0.520 4.867 4.320 0.044 0.000 0.301 214 A C -0.038 177.551 177.584 0.008 0.000 1.432 214 A CA -0.355 51.686 52.037 0.006 0.000 1.140 214 A CB -0.891 18.113 19.000 0.008 0.000 1.174 214 A HN 0.985 nan 8.150 nan 0.000 0.546 215 V N 2.541 122.433 119.914 -0.036 0.000 2.555 215 V HA -0.122 4.024 4.120 0.044 0.000 0.299 215 V C 0.999 177.042 176.094 -0.084 0.000 1.012 215 V CA 1.326 63.555 62.300 -0.119 0.000 1.180 215 V CB -0.284 31.355 31.823 -0.307 0.000 0.887 215 V HN 0.938 nan 8.190 nan 0.000 0.476 216 D N 3.539 123.946 120.400 0.013 0.000 2.349 216 D HA 0.050 4.717 4.640 0.044 0.000 0.224 216 D C 0.529 176.827 176.300 -0.005 0.000 1.029 216 D CA -0.113 53.904 54.000 0.027 0.000 0.879 216 D CB -0.119 40.729 40.800 0.081 0.000 0.906 216 D HN 0.497 nan 8.370 nan 0.000 0.528 217 L N 1.474 122.635 121.223 -0.104 0.000 2.529 217 L HA 0.116 4.482 4.340 0.044 0.000 0.287 217 L C -1.516 175.317 176.870 -0.063 0.000 1.241 217 L CA -1.299 53.478 54.840 -0.104 0.000 0.857 217 L CB -0.241 41.664 42.059 -0.256 0.000 1.113 217 L HN 0.031 nan 8.230 nan 0.000 0.504 218 P HA 0.009 nan 4.420 nan 0.000 0.268 218 P C 0.025 177.321 177.300 -0.007 0.000 1.205 218 P CA -0.185 62.912 63.100 -0.005 0.000 0.771 218 P CB 1.135 32.842 31.700 0.011 0.000 0.858 219 A N 3.954 126.779 122.820 0.008 0.000 1.883 219 A HA -0.058 4.288 4.320 0.044 0.000 0.217 219 A C 1.060 178.665 177.584 0.034 0.000 1.186 219 A CA 1.505 53.556 52.037 0.023 0.000 0.624 219 A CB -0.715 18.300 19.000 0.025 0.000 0.822 219 A HN 0.453 nan 8.150 nan 0.000 0.444 220 V N 1.435 121.367 119.914 0.031 0.000 2.305 220 V HA 0.327 4.473 4.120 0.044 0.000 0.275 220 V C 0.454 176.569 176.094 0.035 0.000 1.020 220 V CA -0.219 62.103 62.300 0.037 0.000 0.811 220 V CB 0.598 32.444 31.823 0.037 0.000 1.031 220 V HN 0.616 nan 8.190 nan 0.000 0.439 221 S N 2.876 118.597 115.700 0.035 0.000 2.633 221 S HA 0.194 4.690 4.470 0.044 0.000 0.257 221 S C 1.181 175.808 174.600 0.044 0.000 1.265 221 S CA 0.341 58.562 58.200 0.035 0.000 0.980 221 S CB 1.081 64.300 63.200 0.031 0.000 1.017 221 S HN 0.648 nan 8.310 nan 0.000 0.577 222 E N 0.769 120.996 120.200 0.044 0.000 2.047 222 E HA -0.110 4.266 4.350 0.044 0.000 0.191 222 E C 1.863 178.499 176.600 0.060 0.000 0.987 222 E CA 1.386 57.815 56.400 0.048 0.000 0.799 222 E CB -0.382 29.344 29.700 0.042 0.000 0.752 222 E HN 0.581 nan 8.360 nan 0.000 0.449 223 K N 0.707 121.143 120.400 0.061 0.000 2.044 223 K HA -0.180 4.167 4.320 0.044 0.000 0.210 223 K C 1.542 178.207 176.600 0.108 0.000 1.049 223 K CA 1.861 58.194 56.287 0.078 0.000 0.927 223 K CB -0.534 32.009 32.500 0.072 0.000 0.713 223 K HN 0.218 nan 8.250 nan 0.000 0.443 224 D N 0.769 121.221 120.400 0.087 0.000 2.092 224 D HA -0.156 4.510 4.640 0.044 0.000 0.193 224 D C 2.136 178.481 176.300 0.076 0.000 0.994 224 D CA 1.140 55.188 54.000 0.081 0.000 0.828 224 D CB -0.342 40.494 40.800 0.060 0.000 0.963 224 D HN 0.263 nan 8.370 nan 0.000 0.450 225 I N 1.067 121.679 120.570 0.069 0.000 2.185 225 I HA -0.340 3.856 4.170 0.044 0.000 0.246 225 I C 2.479 178.653 176.117 0.096 0.000 1.088 225 I CA 1.373 62.713 61.300 0.067 0.000 1.347 225 I CB -0.342 37.694 38.000 0.060 0.000 1.041 225 I HN 0.066 nan 8.210 nan 0.000 0.415 226 Q N 0.241 120.119 119.800 0.130 0.000 2.119 226 Q HA -0.189 4.177 4.340 0.044 0.000 0.201 226 Q C 1.813 177.986 176.000 0.289 0.000 0.972 226 Q CA 1.353 57.278 55.803 0.203 0.000 0.847 226 Q CB -0.107 28.745 28.738 0.191 0.000 0.903 226 Q HN 0.538 nan 8.270 nan 0.000 0.433 227 D N 0.847 121.399 120.400 0.254 0.000 2.117 227 D HA -0.122 4.544 4.640 0.044 0.000 0.198 227 D C 2.021 178.310 176.300 -0.018 0.000 0.982 227 D CA 0.907 55.005 54.000 0.164 0.000 0.828 227 D CB -0.085 40.783 40.800 0.113 0.000 0.967 227 D HN 0.213 nan 8.370 nan 0.000 0.464 228 L N 0.427 121.642 121.223 -0.014 0.000 2.017 228 L HA -0.178 4.188 4.340 0.044 0.000 0.208 228 L C 2.429 179.291 176.870 -0.013 0.000 1.073 228 L CA 1.019 55.828 54.840 -0.053 0.000 0.745 228 L CB -0.239 41.806 42.059 -0.023 0.000 0.894 228 L HN -0.103 nan 8.230 nan 0.000 0.432 229 K N -0.188 120.243 120.400 0.052 0.000 2.044 229 K HA -0.241 4.106 4.320 0.044 0.000 0.210 229 K C 1.869 178.509 176.600 0.067 0.000 1.049 229 K CA 1.663 57.989 56.287 0.065 0.000 0.927 229 K CB -0.629 31.936 32.500 0.109 0.000 0.713 229 K HN 0.103 nan 8.250 nan 0.000 0.443 230 F N 0.454 120.373 119.950 -0.053 0.000 2.126 230 F HA -0.137 4.416 4.527 0.044 0.000 0.299 230 F C 1.988 177.708 175.800 -0.133 0.000 1.096 230 F CA 2.018 59.950 58.000 -0.114 0.000 1.255 230 F CB -0.836 37.965 39.000 -0.332 0.000 0.997 230 F HN 0.099 nan 8.300 nan 0.000 0.479 231 G N -0.015 108.677 108.800 -0.179 0.000 2.446 231 G HA2 -0.237 3.749 3.960 0.044 0.000 0.217 231 G HA3 -0.237 3.749 3.960 0.044 0.000 0.217 231 G C 1.767 176.527 174.900 -0.235 0.000 1.168 231 G CA 1.361 46.300 45.100 -0.268 0.000 0.771 231 G HN 0.352 nan 8.290 nan 0.000 0.551 232 V N 0.764 120.586 119.914 -0.153 0.000 2.287 232 V HA -0.184 3.963 4.120 0.044 0.000 0.248 232 V C 2.711 178.722 176.094 -0.137 0.000 1.053 232 V CA 2.300 64.533 62.300 -0.111 0.000 1.027 232 V CB -0.479 31.307 31.823 -0.061 0.000 0.646 232 V HN 0.354 nan 8.190 nan 0.000 0.447 233 E N 0.150 120.248 120.200 -0.169 0.000 2.085 233 E HA -0.203 4.174 4.350 0.044 0.000 0.194 233 E C 2.224 178.669 176.600 -0.258 0.000 0.994 233 E CA 1.333 57.624 56.400 -0.181 0.000 0.801 233 E CB -0.292 29.308 29.700 -0.166 0.000 0.743 233 E HN 0.520 nan 8.360 nan 0.000 0.453 234 Q N 0.202 119.746 119.800 -0.427 0.000 2.444 234 Q HA -0.018 4.348 4.340 0.044 0.000 0.206 234 Q C -0.188 175.684 176.000 -0.213 0.000 0.948 234 Q CA 0.863 56.431 55.803 -0.390 0.000 0.946 234 Q CB 0.014 28.392 28.738 -0.601 0.000 1.027 234 Q HN 0.286 nan 8.270 nan 0.000 0.513 235 D N -0.098 120.197 120.400 -0.175 0.000 2.760 235 D HA -0.143 4.523 4.640 0.044 0.000 0.244 235 D C -0.451 175.794 176.300 -0.092 0.000 1.123 235 D CA 0.477 54.413 54.000 -0.106 0.000 0.719 235 D CB -1.084 39.672 40.800 -0.074 0.000 1.045 235 D HN 0.118 nan 8.370 nan 0.000 0.426 236 V N -1.854 117.989 119.914 -0.119 0.000 2.732 236 V HA 0.402 4.548 4.120 0.044 0.000 0.297 236 V C 1.396 177.443 176.094 -0.079 0.000 1.060 236 V CA 0.047 62.282 62.300 -0.108 0.000 1.038 236 V CB 1.681 33.410 31.823 -0.158 0.000 1.003 236 V HN 0.093 nan 8.190 nan 0.000 0.481 237 D N 3.121 123.485 120.400 -0.061 0.000 2.194 237 D HA 0.086 4.752 4.640 0.044 0.000 0.204 237 D C 0.719 176.997 176.300 -0.037 0.000 0.964 237 D CA 1.725 55.711 54.000 -0.024 0.000 0.846 237 D CB 0.279 41.087 40.800 0.012 0.000 0.962 237 D HN 0.822 nan 8.370 nan 0.000 0.490 238 M N -1.280 118.258 119.600 -0.104 0.000 2.622 238 M HA 0.547 5.053 4.480 0.044 0.000 0.276 238 M C -1.653 174.510 176.300 -0.227 0.000 1.265 238 M CA -0.974 54.261 55.300 -0.109 0.000 0.850 238 M CB 3.069 35.642 32.600 -0.045 0.000 1.720 238 M HN -0.424 nan 8.290 nan 0.000 0.465 239 V N 2.016 121.855 119.914 -0.124 0.000 2.531 239 V HA 0.513 4.659 4.120 0.044 0.000 0.301 239 V C -1.448 174.711 176.094 0.108 0.000 1.034 239 V CA -0.391 61.832 62.300 -0.129 0.000 0.865 239 V CB 1.942 33.723 31.823 -0.071 0.000 0.995 239 V HN 0.689 nan 8.190 nan 0.000 0.424 240 F N 3.481 123.398 119.950 -0.055 0.000 2.309 240 F HA 0.570 5.124 4.527 0.045 0.000 0.366 240 F C 0.889 176.661 175.800 -0.046 0.000 1.104 240 F CA -1.577 56.394 58.000 -0.048 0.000 1.179 240 F CB 0.734 39.710 39.000 -0.041 0.000 1.437 240 F HN 0.545 nan 8.300 nan 0.000 0.528 241 A N 2.474 125.375 122.820 0.135 0.000 2.444 241 A HA 0.348 4.694 4.320 0.044 0.000 0.287 241 A C 0.786 178.396 177.584 0.043 0.000 1.195 241 A CA -0.036 52.042 52.037 0.069 0.000 0.858 241 A CB -0.317 18.710 19.000 0.045 0.000 1.117 241 A HN 0.533 nan 8.150 nan 0.000 0.521 242 S N 1.440 117.172 115.700 0.054 0.000 2.572 242 S HA 0.332 4.828 4.470 0.044 0.000 0.279 242 S C 0.309 174.971 174.600 0.103 0.000 1.341 242 S CA 0.028 58.225 58.200 -0.005 0.000 1.043 242 S CB -0.348 62.900 63.200 0.080 0.000 0.887 242 S HN 0.762 nan 8.310 nan 0.000 0.516 243 F N -0.945 119.005 119.950 -0.000 0.000 3.105 243 F HA -0.221 4.332 4.527 0.044 0.000 0.280 243 F C 0.546 176.338 175.800 -0.012 0.000 0.894 243 F CA 0.096 58.090 58.000 -0.011 0.000 0.992 243 F CB -2.135 36.852 39.000 -0.022 0.000 1.047 243 F HN 0.579 nan 8.300 nan 0.000 0.607 244 I N -0.108 120.521 120.570 0.098 0.000 2.618 244 I HA 0.202 4.399 4.170 0.044 0.000 0.284 244 I C 1.259 177.408 176.117 0.052 0.000 1.146 244 I CA -0.038 61.298 61.300 0.059 0.000 1.425 244 I CB 0.937 38.945 38.000 0.013 0.000 1.383 244 I HN 0.293 nan 8.210 nan 0.000 0.562 245 R N 4.838 125.365 120.500 0.045 0.000 2.508 245 R HA 0.432 4.798 4.340 0.044 0.000 0.300 245 R C -0.414 175.894 176.300 0.014 0.000 0.970 245 R CA -0.592 55.533 56.100 0.042 0.000 1.102 245 R CB -0.068 30.267 30.300 0.057 0.000 1.246 245 R HN 0.818 nan 8.270 nan 0.000 0.539 246 K N -2.122 118.267 120.400 -0.018 0.000 2.685 246 K HA 0.494 4.840 4.320 0.044 0.000 0.290 246 K C -0.103 176.432 176.600 -0.109 0.000 1.018 246 K CA -0.371 55.888 56.287 -0.048 0.000 0.860 246 K CB 0.637 33.123 32.500 -0.025 0.000 1.498 246 K HN -0.164 nan 8.250 nan 0.000 0.390 247 A N 1.281 124.008 122.820 -0.155 0.000 1.903 247 A HA -0.234 4.112 4.320 0.044 0.000 0.219 247 A C 2.341 179.672 177.584 -0.422 0.000 1.191 247 A CA 3.139 54.986 52.037 -0.317 0.000 0.638 247 A CB -1.397 17.448 19.000 -0.258 0.000 0.823 247 A HN 0.949 nan 8.150 nan 0.000 0.451 248 A N 0.083 122.799 122.820 -0.173 0.000 1.896 248 A HA -0.328 4.018 4.320 0.044 0.000 0.220 248 A C 1.765 179.322 177.584 -0.044 0.000 1.206 248 A CA 2.337 54.352 52.037 -0.037 0.000 0.647 248 A CB -0.946 18.065 19.000 0.018 0.000 0.828 248 A HN 0.542 nan 8.150 nan 0.000 0.455 249 D N -0.343 120.023 120.400 -0.055 0.000 2.116 249 D HA -0.134 4.532 4.640 0.044 0.000 0.193 249 D C 2.047 178.326 176.300 -0.035 0.000 0.998 249 D CA 1.665 55.650 54.000 -0.024 0.000 0.836 249 D CB -0.772 40.020 40.800 -0.013 0.000 0.951 249 D HN 0.259 nan 8.370 nan 0.000 0.449 250 V N 0.708 120.556 119.914 -0.110 0.000 2.392 250 V HA -0.263 3.883 4.120 0.044 0.000 0.249 250 V C 2.079 178.167 176.094 -0.010 0.000 1.059 250 V CA 1.789 64.031 62.300 -0.096 0.000 1.051 250 V CB -0.766 30.947 31.823 -0.182 0.000 0.658 250 V HN 0.358 nan 8.190 nan 0.000 0.455 251 H N -0.385 118.684 119.070 -0.002 0.000 2.357 251 H HA -0.132 4.450 4.556 0.044 0.000 0.301 251 H C 2.488 177.818 175.328 0.005 0.000 1.082 251 H CA 1.387 57.435 56.048 -0.000 0.000 1.342 251 H CB 0.162 29.923 29.762 -0.002 0.000 1.389 251 H HN 0.485 nan 8.280 nan 0.000 0.511 252 E N 0.372 120.648 120.200 0.127 0.000 2.058 252 E HA -0.157 4.219 4.350 0.044 0.000 0.194 252 E C 2.342 178.977 176.600 0.058 0.000 0.997 252 E CA 1.295 57.741 56.400 0.076 0.000 0.801 252 E CB 0.080 29.812 29.700 0.054 0.000 0.746 252 E HN 0.197 nan 8.360 nan 0.000 0.450 253 V N 0.988 120.932 119.914 0.050 0.000 2.407 253 V HA -0.259 3.887 4.120 0.044 0.000 0.248 253 V C 2.344 178.461 176.094 0.038 0.000 1.055 253 V CA 1.875 64.196 62.300 0.036 0.000 1.049 253 V CB -0.461 31.378 31.823 0.027 0.000 0.662 253 V HN 0.142 nan 8.190 nan 0.000 0.455 254 R N 0.877 121.413 120.500 0.059 0.000 2.081 254 R HA -0.157 4.209 4.340 0.044 0.000 0.235 254 R C 2.284 178.608 176.300 0.040 0.000 1.131 254 R CA 1.938 58.073 56.100 0.057 0.000 0.960 254 R CB -0.522 29.835 30.300 0.096 0.000 0.856 254 R HN 0.488 nan 8.270 nan 0.000 0.436 255 K N -0.408 120.019 120.400 0.044 0.000 2.026 255 K HA -0.122 4.224 4.320 0.044 0.000 0.208 255 K C 1.816 178.431 176.600 0.024 0.000 1.048 255 K CA 1.648 57.953 56.287 0.029 0.000 0.929 255 K CB -0.160 32.358 32.500 0.031 0.000 0.713 255 K HN 0.077 nan 8.250 nan 0.000 0.439 256 I N 1.277 121.863 120.570 0.027 0.000 2.163 256 I HA -0.270 3.927 4.170 0.044 0.000 0.243 256 I C 2.000 178.127 176.117 0.016 0.000 1.085 256 I CA 1.006 62.321 61.300 0.024 0.000 1.347 256 I CB -0.511 37.505 38.000 0.027 0.000 1.044 256 I HN 0.167 nan 8.210 nan 0.000 0.408 257 L N 0.242 121.472 121.223 0.011 0.000 2.127 257 L HA -0.033 4.333 4.340 0.044 0.000 0.211 257 L C 1.709 178.582 176.870 0.005 0.000 1.089 257 L CA 1.503 56.344 54.840 0.001 0.000 0.757 257 L CB -1.831 40.227 42.059 -0.002 0.000 0.899 257 L HN 0.498 nan 8.230 nan 0.000 0.434 258 G N -0.671 108.135 108.800 0.011 0.000 2.578 258 G HA2 -0.470 3.516 3.960 0.044 0.000 0.284 258 G HA3 -0.470 3.516 3.960 0.044 0.000 0.284 258 G C 0.894 175.798 174.900 0.007 0.000 1.283 258 G CA 0.746 45.852 45.100 0.009 0.000 0.944 258 G HN 0.312 nan 8.290 nan 0.000 0.558 259 E N -0.002 120.201 120.200 0.006 0.000 2.047 259 E HA -0.041 4.335 4.350 0.044 0.000 0.191 259 E C 2.429 179.031 176.600 0.004 0.000 0.987 259 E CA 2.103 58.506 56.400 0.005 0.000 0.799 259 E CB -0.273 29.430 29.700 0.005 0.000 0.752 259 E HN 0.572 nan 8.360 nan 0.000 0.449 260 K N -0.994 119.407 120.400 0.001 0.000 2.148 260 K HA -0.038 4.308 4.320 0.044 0.000 0.204 260 K C 1.371 177.967 176.600 -0.007 0.000 1.050 260 K CA 1.308 57.593 56.287 -0.003 0.000 0.942 260 K CB -0.232 32.265 32.500 -0.005 0.000 0.724 260 K HN 0.215 nan 8.250 nan 0.000 0.446 261 G N 1.161 109.957 108.800 -0.006 0.000 3.605 261 G HA2 -0.017 3.969 3.960 0.044 0.000 0.277 261 G HA3 -0.017 3.969 3.960 0.044 0.000 0.277 261 G C 0.760 175.661 174.900 0.001 0.000 1.093 261 G CA -0.358 44.736 45.100 -0.010 0.000 0.821 261 G HN 0.357 nan 8.290 nan 0.000 0.532 262 K N 0.095 120.499 120.400 0.007 0.000 2.160 262 K HA -0.138 4.209 4.320 0.044 0.000 0.206 262 K C 1.329 177.942 176.600 0.023 0.000 1.047 262 K CA 1.490 57.786 56.287 0.015 0.000 0.930 262 K CB -0.304 32.205 32.500 0.015 0.000 0.720 262 K HN 0.320 nan 8.250 nan 0.000 0.450 263 N N 0.515 119.229 118.700 0.022 0.000 2.398 263 N HA 0.153 4.919 4.740 0.044 0.000 0.188 263 N C -0.246 175.284 175.510 0.033 0.000 1.122 263 N CA -0.283 52.787 53.050 0.033 0.000 0.866 263 N CB 0.180 38.688 38.487 0.035 0.000 0.970 263 N HN 0.142 nan 8.380 nan 0.000 0.462 264 I N 2.240 122.820 120.570 0.016 0.000 2.436 264 I HA 0.028 4.224 4.170 0.044 0.000 0.289 264 I C 0.136 176.265 176.117 0.021 0.000 1.083 264 I CA -0.271 61.032 61.300 0.006 0.000 1.372 264 I CB 0.490 38.477 38.000 -0.021 0.000 1.408 264 I HN -0.138 nan 8.210 nan 0.000 0.516 265 K N 7.596 128.016 120.400 0.035 0.000 2.368 265 K HA 0.389 4.735 4.320 0.044 0.000 0.282 265 K C -0.313 176.315 176.600 0.046 0.000 1.035 265 K CA -0.113 56.203 56.287 0.049 0.000 0.973 265 K CB 0.936 33.475 32.500 0.065 0.000 0.957 265 K HN 0.518 nan 8.250 nan 0.000 0.474 266 I N 4.497 125.094 120.570 0.045 0.000 2.315 266 I HA 0.160 4.356 4.170 0.044 0.000 0.291 266 I C 0.064 176.219 176.117 0.062 0.000 1.006 266 I CA -0.651 60.681 61.300 0.052 0.000 1.265 266 I CB 0.808 38.828 38.000 0.033 0.000 1.387 266 I HN 0.193 nan 8.210 nan 0.000 0.475 267 I N 5.530 126.175 120.570 0.125 0.000 2.337 267 I HA 0.202 4.398 4.170 0.044 0.000 0.285 267 I C 0.350 176.487 176.117 0.033 0.000 1.041 267 I CA -0.203 61.145 61.300 0.081 0.000 1.199 267 I CB 0.794 38.877 38.000 0.138 0.000 1.370 267 I HN 0.452 nan 8.210 nan 0.000 0.470 268 S N 6.192 121.884 115.700 -0.013 0.000 2.531 268 S HA 0.215 4.711 4.470 0.044 0.000 0.279 268 S C 0.368 174.937 174.600 -0.051 0.000 1.305 268 S CA -0.310 57.876 58.200 -0.023 0.000 1.058 268 S CB 0.609 63.786 63.200 -0.038 0.000 0.899 268 S HN 0.373 nan 8.310 nan 0.000 0.493 269 K N 2.717 123.078 120.400 -0.065 0.000 2.211 269 K HA 0.361 4.708 4.320 0.044 0.000 0.275 269 K C -0.684 175.855 176.600 -0.102 0.000 1.024 269 K CA -0.492 55.722 56.287 -0.122 0.000 0.887 269 K CB 0.713 33.110 32.500 -0.172 0.000 1.084 269 K HN 0.402 nan 8.250 nan 0.000 0.463 270 I N 4.469 124.988 120.570 -0.086 0.000 2.291 270 I HA 0.061 4.257 4.170 0.044 0.000 0.290 270 I C 0.660 176.709 176.117 -0.113 0.000 1.050 270 I CA 0.151 61.417 61.300 -0.056 0.000 1.245 270 I CB 0.581 38.572 38.000 -0.017 0.000 1.405 270 I HN 0.794 nan 8.210 nan 0.000 0.478 271 E N 4.588 124.720 120.200 -0.113 0.000 3.067 271 E HA 0.206 4.583 4.350 0.044 0.000 0.188 271 E C -0.717 175.887 176.600 0.006 0.000 0.964 271 E CA -0.561 55.763 56.400 -0.128 0.000 1.286 271 E CB 0.265 29.763 29.700 -0.336 0.000 1.051 271 E HN 0.669 nan 8.360 nan 0.000 0.465 272 N N -0.919 117.807 118.700 0.042 0.000 2.823 272 N HA 0.057 4.823 4.740 0.044 0.000 0.251 272 N C 0.243 175.798 175.510 0.074 0.000 1.392 272 N CA -0.776 52.332 53.050 0.096 0.000 0.864 272 N CB 0.612 39.202 38.487 0.170 0.000 1.481 272 N HN -0.099 nan 8.380 nan 0.000 0.508 273 H N 0.015 119.091 119.070 0.011 0.000 2.353 273 H HA -0.161 4.422 4.556 0.044 0.000 0.298 273 H C 1.151 176.484 175.328 0.008 0.000 1.103 273 H CA 2.616 58.663 56.048 -0.002 0.000 1.293 273 H CB 0.234 29.993 29.762 -0.005 0.000 1.372 273 H HN 0.837 nan 8.280 nan 0.000 0.501 274 E N -0.205 120.122 120.200 0.211 0.000 2.038 274 E HA -0.115 4.261 4.350 0.044 0.000 0.195 274 E C 2.579 179.234 176.600 0.092 0.000 1.000 274 E CA 1.793 58.280 56.400 0.144 0.000 0.803 274 E CB -0.938 28.818 29.700 0.094 0.000 0.750 274 E HN 0.523 nan 8.360 nan 0.000 0.448 275 G N -0.086 108.759 108.800 0.074 0.000 2.442 275 G HA2 -0.239 3.747 3.960 0.044 0.000 0.219 275 G HA3 -0.239 3.747 3.960 0.044 0.000 0.219 275 G C 1.713 176.660 174.900 0.079 0.000 1.141 275 G CA 1.099 46.240 45.100 0.067 0.000 0.763 275 G HN 0.270 nan 8.290 nan 0.000 0.554 276 V N 0.301 120.217 119.914 0.003 0.000 2.307 276 V HA -0.098 4.048 4.120 0.044 0.000 0.245 276 V C 2.750 178.839 176.094 -0.008 0.000 1.045 276 V CA 1.978 64.242 62.300 -0.059 0.000 1.024 276 V CB -0.432 31.260 31.823 -0.218 0.000 0.651 276 V HN 0.366 nan 8.190 nan 0.000 0.449 277 R N 0.164 120.657 120.500 -0.011 0.000 2.120 277 R HA -0.077 4.290 4.340 0.044 0.000 0.234 277 R C 1.735 178.074 176.300 0.065 0.000 1.123 277 R CA 1.143 57.266 56.100 0.038 0.000 0.975 277 R CB 0.052 30.420 30.300 0.114 0.000 0.866 277 R HN 0.386 nan 8.270 nan 0.000 0.446 278 R N -0.479 120.065 120.500 0.072 0.000 2.552 278 R HA 0.028 4.394 4.340 0.044 0.000 0.314 278 R C 0.965 177.294 176.300 0.048 0.000 1.041 278 R CA -0.207 55.922 56.100 0.047 0.000 1.076 278 R CB 0.035 30.349 30.300 0.023 0.000 1.290 278 R HN 0.184 nan 8.270 nan 0.000 0.563 279 F N 2.736 122.657 119.950 -0.047 0.000 2.091 279 F HA -0.263 4.289 4.527 0.043 0.000 0.299 279 F C 1.539 177.308 175.800 -0.051 0.000 1.103 279 F CA 1.847 59.813 58.000 -0.057 0.000 1.228 279 F CB 0.101 39.059 39.000 -0.069 0.000 0.984 279 F HN -0.020 nan 8.300 nan 0.000 0.477 280 D N 0.384 120.723 120.400 -0.100 0.000 2.126 280 D HA -0.272 4.394 4.640 0.044 0.000 0.190 280 D C 2.205 178.355 176.300 -0.250 0.000 1.001 280 D CA 2.040 55.925 54.000 -0.192 0.000 0.841 280 D CB -0.639 40.144 40.800 -0.028 0.000 0.949 280 D HN 0.720 nan 8.370 nan 0.000 0.446 281 E N 0.231 120.333 120.200 -0.163 0.000 2.204 281 E HA -0.113 4.263 4.350 0.044 0.000 0.194 281 E C 2.240 178.719 176.600 -0.202 0.000 0.989 281 E CA 0.617 56.932 56.400 -0.142 0.000 0.824 281 E CB -0.350 29.299 29.700 -0.085 0.000 0.756 281 E HN 0.304 nan 8.360 nan 0.000 0.477 282 I N 0.580 120.991 120.570 -0.265 0.000 2.286 282 I HA -0.180 4.017 4.170 0.044 0.000 0.245 282 I C 2.418 178.330 176.117 -0.341 0.000 1.104 282 I CA 0.452 61.587 61.300 -0.276 0.000 1.397 282 I CB -0.112 37.750 38.000 -0.230 0.000 1.072 282 I HN 0.177 nan 8.210 nan 0.000 0.417 283 L N 0.770 121.657 121.223 -0.559 0.000 2.083 283 L HA -0.192 4.174 4.340 0.044 0.000 0.209 283 L C 2.420 179.137 176.870 -0.256 0.000 1.083 283 L CA 1.873 56.414 54.840 -0.498 0.000 0.752 283 L CB -0.761 40.847 42.059 -0.752 0.000 0.899 283 L HN 0.170 nan 8.230 nan 0.000 0.433 284 E N 0.164 120.234 120.200 -0.215 0.000 2.051 284 E HA -0.193 4.183 4.350 0.044 0.000 0.192 284 E C 2.019 178.579 176.600 -0.067 0.000 0.991 284 E CA 1.460 57.794 56.400 -0.111 0.000 0.799 284 E CB -0.142 29.508 29.700 -0.082 0.000 0.748 284 E HN 0.591 nan 8.360 nan 0.000 0.449 285 A N 0.282 123.048 122.820 -0.091 0.000 2.119 285 A HA 0.042 4.388 4.320 0.044 0.000 0.216 285 A C 1.386 178.945 177.584 -0.042 0.000 1.152 285 A CA 0.435 52.444 52.037 -0.047 0.000 0.708 285 A CB 0.068 18.938 19.000 -0.217 0.000 0.805 285 A HN 0.151 nan 8.150 nan 0.000 0.460 286 S N -0.267 115.385 115.700 -0.081 0.000 2.713 286 S HA 0.342 4.838 4.470 0.044 0.000 0.283 286 S C 0.004 174.585 174.600 -0.031 0.000 1.161 286 S CA -0.550 57.617 58.200 -0.055 0.000 0.999 286 S CB 1.048 64.198 63.200 -0.083 0.000 1.039 286 S HN 0.374 nan 8.310 nan 0.000 0.548 287 D N 0.175 120.568 120.400 -0.012 0.000 2.355 287 D HA 0.259 4.925 4.640 0.044 0.000 0.206 287 D C 0.783 177.059 176.300 -0.039 0.000 1.010 287 D CA 0.536 54.536 54.000 0.001 0.000 0.875 287 D CB 0.465 41.281 40.800 0.027 0.000 0.966 287 D HN 0.618 nan 8.370 nan 0.000 0.512 288 G N -0.081 108.689 108.800 -0.050 0.000 2.600 288 G HA2 0.512 4.499 3.960 0.044 0.000 0.293 288 G HA3 0.512 4.499 3.960 0.044 0.000 0.293 288 G C -1.749 173.114 174.900 -0.062 0.000 1.408 288 G CA -0.465 44.586 45.100 -0.081 0.000 0.782 288 G HN -0.097 nan 8.290 nan 0.000 0.482 289 I N 0.539 121.072 120.570 -0.062 0.000 2.686 289 I HA 0.531 4.727 4.170 0.044 0.000 0.295 289 I C -0.513 175.539 176.117 -0.108 0.000 1.114 289 I CA -0.719 60.565 61.300 -0.027 0.000 1.038 289 I CB 2.043 40.127 38.000 0.139 0.000 1.238 289 I HN 0.616 nan 8.210 nan 0.000 0.420 290 M N 5.727 125.238 119.600 -0.148 0.000 2.253 290 M HA 0.470 4.977 4.480 0.044 0.000 0.314 290 M C -1.521 174.680 176.300 -0.165 0.000 1.019 290 M CA -0.704 54.460 55.300 -0.227 0.000 0.932 290 M CB 1.792 34.164 32.600 -0.380 0.000 1.606 290 M HN 0.259 nan 8.290 nan 0.000 0.430 291 V N 5.164 124.985 119.914 -0.154 0.000 2.338 291 V HA 0.275 4.422 4.120 0.044 0.000 0.255 291 V C 0.634 176.644 176.094 -0.140 0.000 1.082 291 V CA -0.356 61.859 62.300 -0.141 0.000 0.951 291 V CB 0.245 31.988 31.823 -0.133 0.000 1.102 291 V HN 0.888 nan 8.190 nan 0.000 0.489 292 A N 5.534 128.262 122.820 -0.153 0.000 2.990 292 A HA 0.281 4.627 4.320 0.044 0.000 0.282 292 A C 1.542 179.052 177.584 -0.123 0.000 1.688 292 A CA -0.345 51.599 52.037 -0.154 0.000 1.391 292 A CB -0.461 18.411 19.000 -0.215 0.000 1.112 292 A HN 0.877 nan 8.150 nan 0.000 0.588 293 R N 1.125 121.569 120.500 -0.093 0.000 2.170 293 R HA -0.161 4.205 4.340 0.044 0.000 0.242 293 R C 2.246 178.513 176.300 -0.054 0.000 1.145 293 R CA 1.484 57.543 56.100 -0.069 0.000 0.984 293 R CB -0.301 29.969 30.300 -0.049 0.000 0.869 293 R HN 0.674 nan 8.270 nan 0.000 0.455 294 G N 1.533 110.302 108.800 -0.051 0.000 2.679 294 G HA2 -0.309 3.677 3.960 0.044 0.000 0.217 294 G HA3 -0.309 3.677 3.960 0.044 0.000 0.217 294 G C 0.952 175.838 174.900 -0.023 0.000 1.267 294 G CA 1.339 46.422 45.100 -0.028 0.000 0.799 294 G HN 0.237 nan 8.290 nan 0.000 0.606 295 D N 0.078 120.457 120.400 -0.034 0.000 2.144 295 D HA -0.066 4.600 4.640 0.044 0.000 0.200 295 D C 2.478 178.775 176.300 -0.006 0.000 0.978 295 D CA 0.591 54.599 54.000 0.014 0.000 0.833 295 D CB -0.162 40.668 40.800 0.051 0.000 0.961 295 D HN 0.171 nan 8.370 nan 0.000 0.470 296 L N 1.383 122.576 121.223 -0.050 0.000 2.079 296 L HA -0.069 4.297 4.340 0.044 0.000 0.210 296 L C 2.169 179.008 176.870 -0.051 0.000 1.081 296 L CA 1.913 56.721 54.840 -0.053 0.000 0.752 296 L CB -0.964 41.045 42.059 -0.084 0.000 0.896 296 L HN 0.008 nan 8.230 nan 0.000 0.433 297 G N -1.252 107.518 108.800 -0.051 0.000 2.679 297 G HA2 -0.093 3.893 3.960 0.044 0.000 0.212 297 G HA3 -0.093 3.893 3.960 0.044 0.000 0.212 297 G C 1.452 176.304 174.900 -0.080 0.000 1.137 297 G CA 0.885 45.954 45.100 -0.052 0.000 0.787 297 G HN 0.512 nan 8.290 nan 0.000 0.534 298 I N -0.770 119.747 120.570 -0.089 0.000 3.300 298 I HA 0.104 4.300 4.170 0.044 0.000 0.279 298 I C 2.216 178.220 176.117 -0.188 0.000 1.172 298 I CA 0.088 61.281 61.300 -0.180 0.000 1.431 298 I CB 0.083 38.009 38.000 -0.123 0.000 1.240 298 I HN -0.045 nan 8.210 nan 0.000 0.453 299 E N 1.870 122.031 120.200 -0.066 0.000 2.153 299 E HA -0.040 4.336 4.350 0.044 0.000 0.194 299 E C 0.707 177.303 176.600 -0.006 0.000 0.988 299 E CA 0.983 57.376 56.400 -0.011 0.000 0.811 299 E CB 0.083 29.816 29.700 0.056 0.000 0.746 299 E HN 0.562 nan 8.360 nan 0.000 0.466 300 I N -3.215 117.339 120.570 -0.026 0.000 2.934 300 I HA 0.460 4.656 4.170 0.044 0.000 0.306 300 I C -2.779 173.314 176.117 -0.041 0.000 1.110 300 I CA -3.084 58.214 61.300 -0.003 0.000 1.019 300 I CB 2.255 40.254 38.000 -0.002 0.000 1.227 300 I HN -0.373 nan 8.210 nan 0.000 0.434 301 P HA -0.038 nan 4.420 nan 0.000 0.261 301 P C 0.486 177.775 177.300 -0.019 0.000 1.165 301 P CA 0.453 63.541 63.100 -0.020 0.000 0.759 301 P CB 0.816 32.519 31.700 0.004 0.000 0.772 302 A N 4.423 127.233 122.820 -0.016 0.000 1.940 302 A HA -0.229 4.117 4.320 0.044 0.000 0.219 302 A C 1.516 179.128 177.584 0.045 0.000 1.176 302 A CA 1.714 53.752 52.037 0.002 0.000 0.631 302 A CB -0.930 18.071 19.000 0.002 0.000 0.814 302 A HN 0.619 nan 8.150 nan 0.000 0.446 303 E N 0.188 120.425 120.200 0.062 0.000 2.516 303 E HA -0.030 4.346 4.350 0.044 0.000 0.199 303 E C 1.209 177.924 176.600 0.192 0.000 1.069 303 E CA 0.971 57.450 56.400 0.132 0.000 0.876 303 E CB -0.137 29.625 29.700 0.104 0.000 0.843 303 E HN 0.663 nan 8.360 nan 0.000 0.530 304 K N -0.131 120.301 120.400 0.052 0.000 2.374 304 K HA 0.168 4.515 4.320 0.044 0.000 0.202 304 K C 1.322 177.811 176.600 -0.185 0.000 1.040 304 K CA -0.003 56.222 56.287 -0.104 0.000 1.085 304 K CB 0.707 33.141 32.500 -0.110 0.000 0.873 304 K HN -0.040 nan 8.250 nan 0.000 0.539 305 V N 1.921 121.807 119.914 -0.048 0.000 2.332 305 V HA -0.286 3.861 4.120 0.044 0.000 0.248 305 V C 2.081 178.130 176.094 -0.075 0.000 1.055 305 V CA 2.067 64.330 62.300 -0.062 0.000 1.038 305 V CB -0.635 31.185 31.823 -0.005 0.000 0.651 305 V HN 0.384 nan 8.190 nan 0.000 0.450 306 F N 0.063 119.971 119.950 -0.069 0.000 2.202 306 F HA -0.155 4.397 4.527 0.041 0.000 0.301 306 F C 1.915 177.667 175.800 -0.080 0.000 1.082 306 F CA 1.536 59.495 58.000 -0.068 0.000 1.313 306 F CB -0.887 38.081 39.000 -0.052 0.000 1.024 306 F HN 0.083 nan 8.300 nan 0.000 0.495 307 L N 0.773 121.369 121.223 -1.044 0.000 2.027 307 L HA -0.092 4.274 4.340 0.044 0.000 0.206 307 L C 3.060 179.687 176.870 -0.406 0.000 1.074 307 L CA 1.175 55.535 54.840 -0.799 0.000 0.745 307 L CB -1.219 40.386 42.059 -0.756 0.000 0.898 307 L HN 0.338 nan 8.230 nan 0.000 0.433 308 A N -0.451 122.162 122.820 -0.346 0.000 1.877 308 A HA -0.294 4.052 4.320 0.044 0.000 0.216 308 A C 2.245 179.668 177.584 -0.268 0.000 1.186 308 A CA 1.954 53.817 52.037 -0.291 0.000 0.620 308 A CB -0.658 18.189 19.000 -0.254 0.000 0.822 308 A HN 0.501 nan 8.150 nan 0.000 0.443 309 Q N -0.105 119.577 119.800 -0.198 0.000 1.985 309 Q HA -0.267 4.099 4.340 0.044 0.000 0.207 309 Q C 2.048 177.956 176.000 -0.153 0.000 0.996 309 Q CA 2.285 57.997 55.803 -0.152 0.000 0.851 309 Q CB -0.218 28.477 28.738 -0.072 0.000 0.921 309 Q HN 0.668 nan 8.270 nan 0.000 0.418 310 K N 0.046 120.378 120.400 -0.113 0.000 2.044 310 K HA -0.202 4.145 4.320 0.044 0.000 0.210 310 K C 2.240 178.759 176.600 -0.134 0.000 1.049 310 K CA 1.716 57.951 56.287 -0.087 0.000 0.927 310 K CB -0.351 32.126 32.500 -0.038 0.000 0.713 310 K HN 0.392 nan 8.250 nan 0.000 0.443 311 M N 1.296 120.781 119.600 -0.191 0.000 2.080 311 M HA -0.199 4.307 4.480 0.044 0.000 0.260 311 M C 2.014 178.141 176.300 -0.290 0.000 1.068 311 M CA 1.804 56.975 55.300 -0.215 0.000 1.109 311 M CB -0.312 32.138 32.600 -0.249 0.000 1.342 311 M HN 0.149 nan 8.290 nan 0.000 0.405 312 I N 0.372 120.687 120.570 -0.426 0.000 2.142 312 I HA -0.354 3.842 4.170 0.044 0.000 0.240 312 I C 2.450 178.414 176.117 -0.255 0.000 1.078 312 I CA 1.392 62.326 61.300 -0.609 0.000 1.343 312 I CB -0.504 37.109 38.000 -0.645 0.000 1.046 312 I HN 0.306 nan 8.210 nan 0.000 0.405 313 I N 0.813 121.282 120.570 -0.168 0.000 2.264 313 I HA -0.254 3.942 4.170 0.044 0.000 0.248 313 I C 2.641 178.729 176.117 -0.049 0.000 1.111 313 I CA 1.646 62.897 61.300 -0.081 0.000 1.382 313 I CB -0.930 37.032 38.000 -0.064 0.000 1.060 313 I HN 0.318 nan 8.210 nan 0.000 0.418 314 G N 0.709 109.471 108.800 -0.063 0.000 2.433 314 G HA2 -0.218 3.768 3.960 0.044 0.000 0.216 314 G HA3 -0.218 3.768 3.960 0.044 0.000 0.216 314 G C 1.802 176.698 174.900 -0.006 0.000 1.186 314 G CA 0.395 45.475 45.100 -0.033 0.000 0.779 314 G HN 0.296 nan 8.290 nan 0.000 0.543 315 R N -0.654 119.852 120.500 0.009 0.000 2.092 315 R HA -0.030 4.336 4.340 0.044 0.000 0.231 315 R C 2.663 179.029 176.300 0.109 0.000 1.119 315 R CA 1.124 57.277 56.100 0.089 0.000 0.970 315 R CB -0.640 29.790 30.300 0.216 0.000 0.864 315 R HN 0.377 nan 8.270 nan 0.000 0.440 316 C N 0.663 120.034 119.300 0.119 0.000 2.429 316 C HA -0.055 4.431 4.460 0.044 0.000 0.277 316 C C 2.196 177.198 174.990 0.020 0.000 1.262 316 C CA 0.723 59.793 59.018 0.086 0.000 1.733 316 C CB -1.193 26.594 27.740 0.077 0.000 2.010 316 C HN 0.571 nan 8.230 nan 0.000 0.483 317 N N 0.111 118.814 118.700 0.005 0.000 2.104 317 N HA -0.185 4.581 4.740 0.044 0.000 0.190 317 N C 2.094 177.582 175.510 -0.037 0.000 1.024 317 N CA 0.872 53.912 53.050 -0.017 0.000 0.853 317 N CB -0.277 38.205 38.487 -0.008 0.000 1.008 317 N HN 0.510 nan 8.380 nan 0.000 0.424 318 R N 1.223 121.714 120.500 -0.016 0.000 2.081 318 R HA -0.081 4.285 4.340 0.044 0.000 0.235 318 R C 1.931 178.215 176.300 -0.027 0.000 1.131 318 R CA 1.521 57.609 56.100 -0.020 0.000 0.960 318 R CB -0.167 30.134 30.300 0.002 0.000 0.856 318 R HN 0.173 nan 8.270 nan 0.000 0.436 319 A N -0.542 122.272 122.820 -0.009 0.000 2.119 319 A HA 0.152 4.499 4.320 0.044 0.000 0.216 319 A C 1.442 179.015 177.584 -0.018 0.000 1.152 319 A CA 1.034 53.065 52.037 -0.010 0.000 0.708 319 A CB -0.151 18.846 19.000 -0.005 0.000 0.805 319 A HN 0.613 nan 8.150 nan 0.000 0.460 320 G N -0.867 107.916 108.800 -0.029 0.000 2.136 320 G HA2 -0.232 3.755 3.960 0.044 0.000 0.242 320 G HA3 -0.232 3.755 3.960 0.044 0.000 0.242 320 G C 0.035 174.962 174.900 0.045 0.000 0.989 320 G CA 0.478 45.569 45.100 -0.016 0.000 0.682 320 G HN 0.576 nan 8.290 nan 0.000 0.522 321 K N 0.577 120.982 120.400 0.007 0.000 2.138 321 K HA 0.497 4.843 4.320 0.044 0.000 0.263 321 K C -2.611 173.921 176.600 -0.113 0.000 0.965 321 K CA -2.152 54.119 56.287 -0.027 0.000 0.868 321 K CB 1.799 34.280 32.500 -0.032 0.000 1.083 321 K HN -0.041 nan 8.250 nan 0.000 0.443 322 P HA -0.023 nan 4.420 nan 0.000 0.266 322 P C -1.043 176.146 177.300 -0.185 0.000 1.195 322 P CA -0.253 62.641 63.100 -0.343 0.000 0.768 322 P CB 0.653 31.981 31.700 -0.619 0.000 0.838 323 V N 5.196 125.027 119.914 -0.139 0.000 2.709 323 V HA 0.521 4.667 4.120 0.044 0.000 0.308 323 V C -0.847 175.176 176.094 -0.118 0.000 1.062 323 V CA -0.839 61.400 62.300 -0.102 0.000 0.901 323 V CB 1.378 33.167 31.823 -0.056 0.000 1.003 323 V HN 0.303 nan 8.190 nan 0.000 0.425 324 I N 5.969 126.451 120.570 -0.147 0.000 2.441 324 I HA 0.472 4.668 4.170 0.044 0.000 0.295 324 I C -0.355 175.679 176.117 -0.139 0.000 0.994 324 I CA -0.460 60.746 61.300 -0.157 0.000 1.144 324 I CB 1.732 39.582 38.000 -0.250 0.000 1.314 324 I HN 0.629 nan 8.210 nan 0.000 0.445 325 C N 6.269 125.508 119.300 -0.102 0.000 2.303 325 C HA 0.902 5.388 4.460 0.044 0.000 0.326 325 C C 0.278 175.220 174.990 -0.079 0.000 1.285 325 C CA -0.001 58.967 59.018 -0.084 0.000 1.675 325 C CB -0.416 27.291 27.740 -0.055 0.000 2.289 325 C HN 0.902 nan 8.230 nan 0.000 0.512 326 A N 4.220 126.990 122.820 -0.083 0.000 2.569 326 A HA 0.946 5.292 4.320 0.044 0.000 0.290 326 A C -0.166 177.391 177.584 -0.045 0.000 1.136 326 A CA -0.164 51.834 52.037 -0.065 0.000 0.710 326 A CB 1.003 19.948 19.000 -0.093 0.000 1.303 326 A HN 1.495 nan 8.150 nan 0.000 0.413 327 T N 1.233 115.774 114.554 -0.023 0.000 0.630 327 T HA -0.079 4.298 4.350 0.044 0.000 0.765 327 T C 0.090 174.789 174.700 -0.001 0.000 0.991 327 T CA 0.805 62.899 62.100 -0.009 0.000 4.032 327 T CB -1.450 67.406 68.868 -0.020 0.000 2.278 327 T HN 1.579 nan 8.240 nan 0.000 0.395 328 Q N -0.080 119.726 119.800 0.012 0.000 2.452 328 Q HA -0.289 4.078 4.340 0.044 0.000 0.248 328 Q C 1.582 177.589 176.000 0.011 0.000 0.874 328 Q CA 1.620 57.432 55.803 0.015 0.000 1.208 328 Q CB -1.302 27.444 28.738 0.012 0.000 1.569 328 Q HN 0.855 nan 8.270 nan 0.000 0.579 329 M N -0.639 118.966 119.600 0.009 0.000 2.080 329 M HA -0.169 4.337 4.480 0.044 0.000 0.260 329 M C 0.974 177.280 176.300 0.011 0.000 1.068 329 M CA 1.510 56.814 55.300 0.007 0.000 1.109 329 M CB -0.008 32.595 32.600 0.005 0.000 1.342 329 M HN 0.153 nan 8.290 nan 0.000 0.405 330 L N -0.537 120.697 121.223 0.019 0.000 3.202 330 L HA 0.167 4.533 4.340 0.044 0.000 0.278 330 L C 1.307 178.194 176.870 0.029 0.000 1.268 330 L CA 0.277 55.130 54.840 0.022 0.000 1.034 330 L CB -0.187 41.888 42.059 0.028 0.000 1.407 330 L HN 0.070 nan 8.230 nan 0.000 0.581 331 E N 0.946 121.162 120.200 0.027 0.000 2.132 331 E HA -0.345 4.031 4.350 0.044 0.000 0.218 331 E C 2.252 178.874 176.600 0.037 0.000 1.058 331 E CA 2.348 58.767 56.400 0.032 0.000 0.882 331 E CB -0.057 29.658 29.700 0.025 0.000 0.774 331 E HN 0.476 nan 8.360 nan 0.000 0.467 332 S N -0.706 115.011 115.700 0.029 0.000 2.465 332 S HA -0.179 4.317 4.470 0.044 0.000 0.241 332 S C 1.865 176.492 174.600 0.045 0.000 1.000 332 S CA 1.414 59.632 58.200 0.031 0.000 0.964 332 S CB -0.405 62.804 63.200 0.015 0.000 0.763 332 S HN 0.370 nan 8.310 nan 0.000 0.512 333 M N 0.590 120.220 119.600 0.050 0.000 2.686 333 M HA 0.219 4.725 4.480 0.044 0.000 0.246 333 M C 1.297 177.696 176.300 0.166 0.000 1.096 333 M CA 0.503 55.849 55.300 0.078 0.000 1.076 333 M CB -0.464 32.170 32.600 0.057 0.000 1.504 333 M HN 0.387 nan 8.290 nan 0.000 0.524 334 I N 0.034 120.678 120.570 0.122 0.000 2.546 334 I HA -0.229 3.967 4.170 0.044 0.000 0.255 334 I C 1.876 178.081 176.117 0.147 0.000 1.163 334 I CA 1.019 62.389 61.300 0.115 0.000 1.457 334 I CB -0.160 37.881 38.000 0.068 0.000 1.092 334 I HN 0.213 nan 8.210 nan 0.000 0.434 335 K N 0.363 120.863 120.400 0.168 0.000 2.440 335 K HA 0.316 4.663 4.320 0.044 0.000 0.207 335 K C -0.009 176.768 176.600 0.294 0.000 1.112 335 K CA 0.231 56.632 56.287 0.190 0.000 1.036 335 K CB 0.904 33.464 32.500 0.100 0.000 0.935 335 K HN 0.195 nan 8.250 nan 0.000 0.564 336 K N 1.149 121.671 120.400 0.204 0.000 2.375 336 K HA 0.251 4.597 4.320 0.044 0.000 0.249 336 K C -2.108 174.227 176.600 -0.442 0.000 0.942 336 K CA -1.917 54.346 56.287 -0.041 0.000 0.806 336 K CB 2.546 35.020 32.500 -0.043 0.000 1.227 336 K HN -0.306 nan 8.250 nan 0.000 0.430 337 P HA -0.116 nan 4.420 nan 0.000 0.221 337 P C -0.408 176.666 177.300 -0.377 0.000 1.150 337 P CA 1.014 63.527 63.100 -0.977 0.000 0.800 337 P CB 0.531 31.755 31.700 -0.793 0.000 0.787 338 R N 0.609 120.966 120.500 -0.239 0.000 2.670 338 R HA 0.466 4.832 4.340 0.044 0.000 0.289 338 R C -2.384 173.868 176.300 -0.079 0.000 0.965 338 R CA -2.309 53.716 56.100 -0.123 0.000 0.899 338 R CB 1.507 31.751 30.300 -0.094 0.000 1.173 338 R HN 0.077 nan 8.270 nan 0.000 0.456 339 P HA 0.037 nan 4.420 nan 0.000 0.276 339 P C -0.177 177.110 177.300 -0.022 0.000 1.252 339 P CA -0.287 62.798 63.100 -0.025 0.000 0.802 339 P CB 0.764 32.456 31.700 -0.013 0.000 1.035 340 T N -0.843 113.703 114.554 -0.015 0.000 2.816 340 T HA 0.205 4.582 4.350 0.044 0.000 0.282 340 T C 1.483 176.174 174.700 -0.015 0.000 0.993 340 T CA -0.672 61.419 62.100 -0.014 0.000 0.994 340 T CB 0.495 69.357 68.868 -0.010 0.000 1.025 340 T HN 0.199 nan 8.240 nan 0.000 0.529 341 R N 0.871 121.361 120.500 -0.016 0.000 2.152 341 R HA 0.021 4.387 4.340 0.044 0.000 0.232 341 R C 2.487 178.776 176.300 -0.018 0.000 1.117 341 R CA 1.347 57.436 56.100 -0.018 0.000 0.981 341 R CB -1.642 28.647 30.300 -0.019 0.000 0.870 341 R HN 0.845 nan 8.270 nan 0.000 0.451 342 A N 1.276 124.085 122.820 -0.017 0.000 1.930 342 A HA -0.101 4.245 4.320 0.044 0.000 0.215 342 A C 1.941 179.516 177.584 -0.015 0.000 1.176 342 A CA 0.882 52.907 52.037 -0.019 0.000 0.632 342 A CB -0.130 18.859 19.000 -0.019 0.000 0.819 342 A HN 0.331 nan 8.150 nan 0.000 0.445 343 E N -0.331 119.863 120.200 -0.010 0.000 2.107 343 E HA -0.061 4.315 4.350 0.044 0.000 0.191 343 E C 2.101 178.697 176.600 -0.006 0.000 0.982 343 E CA 0.655 57.052 56.400 -0.006 0.000 0.809 343 E CB -0.337 29.362 29.700 -0.001 0.000 0.756 343 E HN 0.570 nan 8.360 nan 0.000 0.459 344 G N 1.077 109.872 108.800 -0.009 0.000 2.421 344 G HA2 -0.328 3.658 3.960 0.044 0.000 0.216 344 G HA3 -0.328 3.658 3.960 0.044 0.000 0.216 344 G C 1.668 176.562 174.900 -0.010 0.000 1.171 344 G CA 0.986 46.081 45.100 -0.009 0.000 0.775 344 G HN 0.289 nan 8.290 nan 0.000 0.543 345 S N 0.395 116.086 115.700 -0.015 0.000 2.370 345 S HA -0.190 4.306 4.470 0.044 0.000 0.226 345 S C 2.090 176.681 174.600 -0.015 0.000 1.033 345 S CA 2.070 60.259 58.200 -0.018 0.000 1.011 345 S CB -0.484 62.701 63.200 -0.025 0.000 0.852 345 S HN 0.424 nan 8.310 nan 0.000 0.457 346 D N 0.155 120.547 120.400 -0.013 0.000 2.123 346 D HA -0.089 4.577 4.640 0.044 0.000 0.196 346 D C 1.866 178.164 176.300 -0.005 0.000 0.992 346 D CA 1.437 55.431 54.000 -0.010 0.000 0.833 346 D CB -0.281 40.515 40.800 -0.008 0.000 0.954 346 D HN 0.307 nan 8.370 nan 0.000 0.455 347 V N 0.584 120.497 119.914 -0.003 0.000 2.307 347 V HA -0.187 3.959 4.120 0.044 0.000 0.245 347 V C 2.556 178.650 176.094 0.000 0.000 1.045 347 V CA 1.737 64.037 62.300 -0.000 0.000 1.024 347 V CB -0.917 30.908 31.823 0.003 0.000 0.651 347 V HN 0.342 nan 8.190 nan 0.000 0.449 348 A N 0.350 123.169 122.820 -0.002 0.000 1.883 348 A HA -0.248 4.098 4.320 0.044 0.000 0.217 348 A C 2.077 179.664 177.584 0.006 0.000 1.186 348 A CA 2.101 54.139 52.037 0.000 0.000 0.624 348 A CB -0.725 18.273 19.000 -0.005 0.000 0.822 348 A HN 0.580 nan 8.150 nan 0.000 0.444 349 N N 0.225 118.927 118.700 0.004 0.000 2.289 349 N HA -0.092 4.674 4.740 0.044 0.000 0.184 349 N C 1.852 177.370 175.510 0.013 0.000 1.016 349 N CA 1.320 54.376 53.050 0.010 0.000 0.872 349 N CB -0.431 38.058 38.487 0.004 0.000 0.973 349 N HN 0.497 nan 8.380 nan 0.000 0.433 350 A N 0.660 123.484 122.820 0.006 0.000 1.898 350 A HA -0.069 4.277 4.320 0.044 0.000 0.216 350 A C 2.499 180.086 177.584 0.005 0.000 1.181 350 A CA 1.200 53.237 52.037 0.001 0.000 0.620 350 A CB -0.654 18.343 19.000 -0.006 0.000 0.819 350 A HN 0.098 nan 8.150 nan 0.000 0.442 351 V N 0.167 120.087 119.914 0.010 0.000 2.358 351 V HA -0.225 3.922 4.120 0.044 0.000 0.246 351 V C 2.547 178.656 176.094 0.025 0.000 1.047 351 V CA 1.806 64.117 62.300 0.017 0.000 1.035 351 V CB -0.802 31.032 31.823 0.018 0.000 0.658 351 V HN 0.551 nan 8.190 nan 0.000 0.452 352 L N -0.267 120.973 121.223 0.028 0.000 2.083 352 L HA -0.181 4.185 4.340 0.044 0.000 0.209 352 L C 2.372 179.269 176.870 0.046 0.000 1.083 352 L CA 1.485 56.350 54.840 0.042 0.000 0.752 352 L CB -0.800 41.290 42.059 0.052 0.000 0.899 352 L HN 0.327 nan 8.230 nan 0.000 0.433 353 D N 0.107 120.528 120.400 0.035 0.000 2.221 353 D HA -0.134 4.532 4.640 0.044 0.000 0.204 353 D C 1.660 177.973 176.300 0.022 0.000 0.982 353 D CA 1.614 55.632 54.000 0.028 0.000 0.857 353 D CB 0.071 40.878 40.800 0.012 0.000 0.934 353 D HN 0.509 nan 8.370 nan 0.000 0.475 354 G N -0.534 108.278 108.800 0.020 0.000 2.183 354 G HA2 -0.093 3.893 3.960 0.044 0.000 0.168 354 G HA3 -0.093 3.893 3.960 0.044 0.000 0.168 354 G C 0.409 175.313 174.900 0.007 0.000 1.008 354 G CA 0.148 45.260 45.100 0.020 0.000 0.677 354 G HN 0.561 nan 8.290 nan 0.000 0.498 355 A N 0.430 123.247 122.820 -0.004 0.000 2.540 355 A HA 0.453 4.800 4.320 0.044 0.000 0.239 355 A C 1.247 178.824 177.584 -0.012 0.000 1.061 355 A CA 1.100 53.125 52.037 -0.020 0.000 0.758 355 A CB 0.226 19.210 19.000 -0.027 0.000 0.991 355 A HN 0.299 nan 8.150 nan 0.000 0.502 356 D N 0.574 120.955 120.400 -0.031 0.000 2.137 356 D HA -0.002 4.665 4.640 0.044 0.000 0.202 356 D C 0.120 176.412 176.300 -0.013 0.000 0.970 356 D CA 1.282 55.268 54.000 -0.023 0.000 0.837 356 D CB 0.152 40.904 40.800 -0.080 0.000 0.981 356 D HN 0.550 nan 8.370 nan 0.000 0.475 357 C N 0.804 120.083 119.300 -0.035 0.000 2.712 357 C HA 0.598 5.084 4.460 0.044 0.000 0.308 357 C C -0.145 174.827 174.990 -0.030 0.000 1.201 357 C CA -1.042 57.963 59.018 -0.021 0.000 1.554 357 C CB 1.817 29.541 27.740 -0.026 0.000 2.117 357 C HN 0.172 nan 8.230 nan 0.000 0.480 358 I N 0.552 121.115 120.570 -0.011 0.000 2.603 358 I HA 0.743 4.939 4.170 0.044 0.000 0.300 358 I C -0.655 175.458 176.117 -0.006 0.000 1.017 358 I CA -0.699 60.593 61.300 -0.013 0.000 1.098 358 I CB 1.558 39.559 38.000 0.001 0.000 1.279 358 I HN 0.696 nan 8.210 nan 0.000 0.437 359 M N 5.578 125.171 119.600 -0.012 0.000 2.664 359 M HA 0.647 5.154 4.480 0.044 0.000 0.314 359 M C -1.933 174.379 176.300 0.019 0.000 1.200 359 M CA -0.834 54.469 55.300 0.005 0.000 0.916 359 M CB 2.454 35.044 32.600 -0.016 0.000 1.717 359 M HN 0.664 nan 8.290 nan 0.000 0.470 360 L N 2.457 123.703 121.223 0.038 0.000 2.406 360 L HA 0.523 4.890 4.340 0.044 0.000 0.272 360 L C -1.038 175.867 176.870 0.058 0.000 0.980 360 L CA -0.499 54.367 54.840 0.044 0.000 0.831 360 L CB 2.254 44.342 42.059 0.048 0.000 1.253 360 L HN 0.831 nan 8.230 nan 0.000 0.406 361 S N 0.889 116.622 115.700 0.056 0.000 2.620 361 S HA 0.754 5.250 4.470 0.044 0.000 0.244 361 S C 0.238 174.877 174.600 0.065 0.000 1.192 361 S CA 0.060 58.302 58.200 0.070 0.000 1.148 361 S CB 1.628 64.871 63.200 0.073 0.000 1.106 361 S HN 1.050 nan 8.310 nan 0.000 0.474 362 G N 3.482 112.321 108.800 0.066 0.000 2.697 362 G HA2 -0.236 3.751 3.960 0.044 0.000 0.200 362 G HA3 -0.236 3.751 3.960 0.044 0.000 0.200 362 G C 0.574 175.507 174.900 0.055 0.000 1.106 362 G CA 0.155 45.289 45.100 0.057 0.000 0.748 362 G HN 0.584 nan 8.290 nan 0.000 0.503 363 E N 0.572 120.806 120.200 0.058 0.000 2.338 363 E HA 0.166 4.542 4.350 0.044 0.000 0.197 363 E C 2.184 178.824 176.600 0.067 0.000 1.007 363 E CA 1.707 58.146 56.400 0.066 0.000 0.849 363 E CB -0.035 29.703 29.700 0.064 0.000 0.774 363 E HN 0.502 nan 8.360 nan 0.000 0.506 364 T N -1.129 113.461 114.554 0.061 0.000 3.019 364 T HA 0.248 4.624 4.350 0.044 0.000 0.247 364 T C 1.747 176.481 174.700 0.058 0.000 0.992 364 T CA 0.336 62.471 62.100 0.059 0.000 1.036 364 T CB 0.110 69.013 68.868 0.060 0.000 1.063 364 T HN 0.189 nan 8.240 nan 0.000 0.476 365 A N 2.468 125.328 122.820 0.066 0.000 1.858 365 A HA -0.073 4.273 4.320 0.044 0.000 0.216 365 A C 1.719 179.337 177.584 0.056 0.000 1.190 365 A CA 2.019 54.100 52.037 0.074 0.000 0.617 365 A CB -0.201 18.851 19.000 0.087 0.000 0.827 365 A HN 0.516 nan 8.150 nan 0.000 0.443 366 K N -1.211 119.212 120.400 0.040 0.000 2.644 366 K HA 0.401 4.747 4.320 0.044 0.000 0.198 366 K C 0.381 176.984 176.600 0.006 0.000 1.113 366 K CA 0.346 56.645 56.287 0.020 0.000 1.073 366 K CB -0.588 31.918 32.500 0.011 0.000 0.811 366 K HN 0.297 nan 8.250 nan 0.000 0.508 367 G N 0.011 108.819 108.800 0.013 0.000 2.528 367 G HA2 0.193 4.179 3.960 0.044 0.000 0.289 367 G HA3 0.193 4.179 3.960 0.044 0.000 0.289 367 G C -0.347 174.515 174.900 -0.062 0.000 1.192 367 G CA -0.547 44.555 45.100 0.004 0.000 0.921 367 G HN 0.123 nan 8.290 nan 0.000 0.512 368 D N -1.024 119.291 120.400 -0.141 0.000 2.340 368 D HA 0.043 4.710 4.640 0.044 0.000 0.220 368 D C -0.267 175.573 176.300 -0.767 0.000 1.039 368 D CA 0.897 54.629 54.000 -0.446 0.000 0.866 368 D CB 0.312 40.757 40.800 -0.592 0.000 0.913 368 D HN 0.368 nan 8.370 nan 0.000 0.523 369 Y N -0.443 119.868 120.300 0.018 0.000 2.624 369 Y HA 0.190 4.766 4.550 0.044 0.000 0.302 369 Y C -1.666 174.247 175.900 0.022 0.000 0.939 369 Y CA -1.664 56.447 58.100 0.019 0.000 1.116 369 Y CB 1.055 39.525 38.460 0.017 0.000 1.173 369 Y HN -0.107 nan 8.280 nan 0.000 0.631 370 P HA -0.205 nan 4.420 nan 0.000 0.215 370 P C 1.499 178.848 177.300 0.082 0.000 1.157 370 P CA 1.334 64.480 63.100 0.077 0.000 0.874 370 P CB 0.727 32.454 31.700 0.044 0.000 0.790 371 L N -0.054 121.219 121.223 0.083 0.000 2.027 371 L HA -0.130 4.236 4.340 0.044 0.000 0.206 371 L C 2.578 179.497 176.870 0.081 0.000 1.074 371 L CA 1.903 56.786 54.840 0.072 0.000 0.745 371 L CB -1.695 40.404 42.059 0.066 0.000 0.898 371 L HN -0.120 nan 8.230 nan 0.000 0.433 372 E N -0.621 119.649 120.200 0.117 0.000 2.160 372 E HA -0.172 4.204 4.350 0.044 0.000 0.195 372 E C 2.267 178.910 176.600 0.071 0.000 0.991 372 E CA 1.251 57.706 56.400 0.090 0.000 0.810 372 E CB -0.410 29.345 29.700 0.091 0.000 0.742 372 E HN 0.477 nan 8.360 nan 0.000 0.466 373 A N 0.476 123.349 122.820 0.088 0.000 1.898 373 A HA -0.127 4.220 4.320 0.044 0.000 0.216 373 A C 2.448 180.070 177.584 0.063 0.000 1.181 373 A CA 1.577 53.656 52.037 0.071 0.000 0.620 373 A CB -0.843 18.206 19.000 0.081 0.000 0.819 373 A HN 0.264 nan 8.150 nan 0.000 0.442 374 V N -1.002 118.949 119.914 0.062 0.000 2.548 374 V HA -0.153 3.993 4.120 0.044 0.000 0.249 374 V C 2.123 178.264 176.094 0.079 0.000 1.055 374 V CA 2.013 64.348 62.300 0.058 0.000 1.065 374 V CB -0.834 31.011 31.823 0.038 0.000 0.681 374 V HN 0.535 nan 8.190 nan 0.000 0.462 375 R N -0.796 119.746 120.500 0.070 0.000 2.115 375 R HA -0.032 4.334 4.340 0.044 0.000 0.230 375 R C 2.217 178.591 176.300 0.124 0.000 1.111 375 R CA 1.865 58.019 56.100 0.089 0.000 0.976 375 R CB -0.478 29.858 30.300 0.059 0.000 0.870 375 R HN 0.525 nan 8.270 nan 0.000 0.445 376 M N 0.978 120.627 119.600 0.082 0.000 2.123 376 M HA -0.116 4.390 4.480 0.044 0.000 0.263 376 M C 1.929 178.266 176.300 0.061 0.000 1.069 376 M CA 1.729 57.065 55.300 0.060 0.000 1.133 376 M CB -0.123 32.498 32.600 0.034 0.000 1.356 376 M HN 0.004 nan 8.290 nan 0.000 0.415 377 Q N -1.348 118.493 119.800 0.068 0.000 2.096 377 Q HA -0.266 4.100 4.340 0.044 0.000 0.204 377 Q C 2.150 178.191 176.000 0.068 0.000 0.982 377 Q CA 2.098 57.935 55.803 0.057 0.000 0.850 377 Q CB -0.603 28.169 28.738 0.058 0.000 0.901 377 Q HN 0.717 nan 8.270 nan 0.000 0.422 378 H N 0.422 119.506 119.070 0.024 0.000 2.319 378 H HA -0.171 4.412 4.556 0.045 0.000 0.297 378 H C 1.779 177.126 175.328 0.032 0.000 1.097 378 H CA 1.598 57.664 56.048 0.031 0.000 1.285 378 H CB -0.081 29.701 29.762 0.033 0.000 1.368 378 H HN 0.075 nan 8.280 nan 0.000 0.495 379 L N 0.259 121.471 121.223 -0.018 0.000 1.994 379 L HA -0.126 4.240 4.340 0.044 0.000 0.208 379 L C 2.628 179.452 176.870 -0.077 0.000 1.071 379 L CA 1.639 56.442 54.840 -0.063 0.000 0.745 379 L CB -0.850 41.226 42.059 0.028 0.000 0.892 379 L HN 0.428 nan 8.230 nan 0.000 0.431 380 I N -0.963 119.587 120.570 -0.034 0.000 2.208 380 I HA -0.350 3.846 4.170 0.044 0.000 0.245 380 I C 2.597 178.691 176.117 -0.038 0.000 1.097 380 I CA 1.182 62.466 61.300 -0.027 0.000 1.363 380 I CB -0.672 37.323 38.000 -0.009 0.000 1.051 380 I HN 0.262 nan 8.210 nan 0.000 0.413 381 A N 1.270 124.060 122.820 -0.050 0.000 1.859 381 A HA -0.261 4.085 4.320 0.044 0.000 0.217 381 A C 2.430 179.980 177.584 -0.057 0.000 1.198 381 A CA 1.966 53.977 52.037 -0.044 0.000 0.629 381 A CB -0.743 18.232 19.000 -0.041 0.000 0.830 381 A HN 0.342 nan 8.150 nan 0.000 0.446 382 R N -1.074 119.351 120.500 -0.125 0.000 2.096 382 R HA -0.158 4.208 4.340 0.044 0.000 0.235 382 R C 2.253 178.529 176.300 -0.039 0.000 1.127 382 R CA 1.527 57.569 56.100 -0.097 0.000 0.968 382 R CB -0.294 29.908 30.300 -0.163 0.000 0.861 382 R HN 0.622 nan 8.270 nan 0.000 0.440 383 E N 0.754 120.929 120.200 -0.041 0.000 2.077 383 E HA -0.123 4.253 4.350 0.044 0.000 0.193 383 E C 1.810 178.411 176.600 0.003 0.000 0.989 383 E CA 1.627 58.017 56.400 -0.016 0.000 0.800 383 E CB -0.103 29.585 29.700 -0.020 0.000 0.746 383 E HN 0.344 nan 8.360 nan 0.000 0.452 384 A N 0.334 123.156 122.820 0.002 0.000 1.970 384 A HA -0.112 4.234 4.320 0.044 0.000 0.216 384 A C 1.947 179.555 177.584 0.040 0.000 1.170 384 A CA 1.308 53.355 52.037 0.017 0.000 0.645 384 A CB -0.432 18.575 19.000 0.011 0.000 0.816 384 A HN 0.273 nan 8.150 nan 0.000 0.447 385 E N 0.006 120.233 120.200 0.045 0.000 2.118 385 E HA -0.150 4.227 4.350 0.044 0.000 0.195 385 E C 2.193 178.884 176.600 0.152 0.000 0.992 385 E CA 1.057 57.509 56.400 0.086 0.000 0.804 385 E CB -0.258 29.487 29.700 0.074 0.000 0.741 385 E HN 0.629 nan 8.360 nan 0.000 0.458 386 A N 1.179 124.074 122.820 0.124 0.000 1.968 386 A HA 0.052 4.398 4.320 0.044 0.000 0.217 386 A C 2.241 179.933 177.584 0.181 0.000 1.169 386 A CA 1.179 53.317 52.037 0.169 0.000 0.638 386 A CB -0.262 18.792 19.000 0.091 0.000 0.812 386 A HN 0.252 nan 8.150 nan 0.000 0.446 387 A N -0.820 122.064 122.820 0.107 0.000 2.252 387 A HA 0.358 4.704 4.320 0.044 0.000 0.207 387 A C 1.013 178.704 177.584 0.180 0.000 1.194 387 A CA -0.003 52.088 52.037 0.090 0.000 0.809 387 A CB -0.592 18.418 19.000 0.016 0.000 0.814 387 A HN 0.561 nan 8.150 nan 0.000 0.482 388 M N -1.204 118.441 119.600 0.075 0.000 2.228 388 M HA 0.233 4.740 4.480 0.044 0.000 0.326 388 M C -0.202 175.984 176.300 -0.190 0.000 1.122 388 M CA -0.059 55.175 55.300 -0.110 0.000 1.161 388 M CB 0.439 32.804 32.600 -0.392 0.000 1.437 388 M HN 0.277 nan 8.290 nan 0.000 0.465 389 F N 2.735 122.368 119.950 -0.528 0.000 2.441 389 F HA 0.260 4.815 4.527 0.047 0.000 0.337 389 F C 1.138 176.650 175.800 -0.481 0.000 1.182 389 F CA -0.703 56.820 58.000 -0.796 0.000 1.279 389 F CB -0.741 37.593 39.000 -1.110 0.000 1.614 389 F HN 0.559 nan 8.300 nan 0.000 0.574 390 H N 1.183 120.180 119.070 -0.122 0.000 2.265 390 H HA -0.193 4.388 4.556 0.042 0.000 0.293 390 H C 2.308 177.419 175.328 -0.362 0.000 1.089 390 H CA 1.699 57.643 56.048 -0.174 0.000 1.244 390 H CB 0.036 29.673 29.762 -0.208 0.000 1.355 390 H HN 0.358 nan 8.280 nan 0.000 0.485 391 R N 1.484 121.725 120.500 -0.433 0.000 2.133 391 R HA -0.188 4.178 4.340 0.044 0.000 0.245 391 R C 2.280 178.333 176.300 -0.411 0.000 1.137 391 R CA 1.932 57.745 56.100 -0.478 0.000 0.947 391 R CB -0.347 29.656 30.300 -0.494 0.000 0.865 391 R HN 0.185 nan 8.270 nan 0.000 0.437 392 K N 0.135 120.058 120.400 -0.795 0.000 2.057 392 K HA -0.093 4.253 4.320 0.044 0.000 0.206 392 K C 2.030 178.518 176.600 -0.186 0.000 1.050 392 K CA 0.896 56.827 56.287 -0.593 0.000 0.935 392 K CB -0.548 31.319 32.500 -1.055 0.000 0.715 392 K HN 0.095 nan 8.250 nan 0.000 0.439 393 L N 0.093 121.237 121.223 -0.132 0.000 2.017 393 L HA -0.080 4.286 4.340 0.044 0.000 0.208 393 L C 1.948 178.898 176.870 0.133 0.000 1.073 393 L CA 1.681 56.545 54.840 0.041 0.000 0.745 393 L CB -0.854 41.238 42.059 0.054 0.000 0.894 393 L HN 0.236 nan 8.230 nan 0.000 0.432 394 F N 0.929 120.916 119.950 0.061 0.000 2.043 394 F HA -0.272 4.276 4.527 0.034 0.000 0.297 394 F C 2.377 178.242 175.800 0.108 0.000 1.121 394 F CA 2.292 60.395 58.000 0.173 0.000 1.199 394 F CB -0.494 38.672 39.000 0.277 0.000 0.968 394 F HN 0.272 nan 8.300 nan 0.000 0.478 395 E N -0.163 120.088 120.200 0.084 0.000 2.114 395 E HA -0.280 4.096 4.350 0.044 0.000 0.199 395 E C 2.059 178.608 176.600 -0.085 0.000 1.008 395 E CA 1.889 58.267 56.400 -0.037 0.000 0.810 395 E CB -0.418 29.284 29.700 0.002 0.000 0.739 395 E HN 0.629 nan 8.360 nan 0.000 0.456 396 E N 0.012 120.191 120.200 -0.036 0.000 2.285 396 E HA -0.114 4.263 4.350 0.044 0.000 0.194 396 E C 1.776 178.361 176.600 -0.026 0.000 0.997 396 E CA 0.244 56.632 56.400 -0.020 0.000 0.845 396 E CB 0.171 29.882 29.700 0.018 0.000 0.782 396 E HN 0.092 nan 8.360 nan 0.000 0.491 397 L N 0.274 121.478 121.223 -0.031 0.000 2.270 397 L HA 0.055 4.421 4.340 0.044 0.000 0.210 397 L C 2.161 179.053 176.870 0.037 0.000 1.104 397 L CA 1.119 55.967 54.840 0.013 0.000 0.804 397 L CB -0.811 41.293 42.059 0.075 0.000 0.937 397 L HN 0.009 nan 8.230 nan 0.000 0.450 398 A N -0.596 122.124 122.820 -0.166 0.000 1.929 398 A HA -0.151 4.196 4.320 0.044 0.000 0.216 398 A C 2.353 179.878 177.584 -0.098 0.000 1.176 398 A CA 1.031 52.929 52.037 -0.230 0.000 0.628 398 A CB -0.328 18.388 19.000 -0.474 0.000 0.816 398 A HN 0.347 nan 8.150 nan 0.000 0.444 399 R N -0.373 120.075 120.500 -0.086 0.000 2.235 399 R HA 0.079 4.445 4.340 0.044 0.000 0.213 399 R C 1.965 178.238 176.300 -0.046 0.000 1.059 399 R CA 0.739 56.799 56.100 -0.067 0.000 0.997 399 R CB -0.292 29.974 30.300 -0.057 0.000 0.884 399 R HN 0.465 nan 8.270 nan 0.000 0.462 400 A N 0.645 123.453 122.820 -0.019 0.000 2.239 400 A HA 0.036 4.382 4.320 0.044 0.000 0.209 400 A C 0.411 178.001 177.584 0.009 0.000 1.171 400 A CA 0.474 52.508 52.037 -0.005 0.000 0.768 400 A CB 0.259 19.261 19.000 0.002 0.000 0.790 400 A HN 0.047 nan 8.150 nan 0.000 0.478 401 S N 1.599 117.310 115.700 0.019 0.000 2.520 401 S HA 0.409 4.905 4.470 0.044 0.000 0.324 401 S C -2.364 172.230 174.600 -0.010 0.000 1.069 401 S CA -0.900 57.324 58.200 0.040 0.000 1.121 401 S CB 1.296 64.562 63.200 0.109 0.000 0.971 401 S HN 0.324 nan 8.310 nan 0.000 0.463 402 P HA 0.066 nan 4.420 nan 0.000 0.261 402 P C -0.571 176.735 177.300 0.009 0.000 1.650 402 P CA 0.112 63.171 63.100 -0.068 0.000 0.846 402 P CB -0.847 30.832 31.700 -0.035 0.000 1.758 403 H N -1.431 117.632 119.070 -0.011 0.000 4.198 403 H HA -0.090 4.493 4.556 0.045 0.000 0.264 403 H C -0.022 175.298 175.328 -0.013 0.000 0.612 403 H CA 0.299 56.337 56.048 -0.017 0.000 0.737 403 H CB -0.751 29.001 29.762 -0.017 0.000 1.170 403 H HN 0.473 nan 8.280 nan 0.000 0.303 404 S N 1.404 117.159 115.700 0.092 0.000 2.632 404 S HA 0.385 4.882 4.470 0.044 0.000 0.289 404 S C 0.700 175.295 174.600 -0.009 0.000 1.115 404 S CA -0.134 58.086 58.200 0.034 0.000 0.889 404 S CB 2.391 65.605 63.200 0.022 0.000 1.116 404 S HN 0.694 nan 8.310 nan 0.000 0.486 405 T N 0.139 114.685 114.554 -0.014 0.000 3.169 405 T HA 0.172 4.548 4.350 0.044 0.000 0.250 405 T C -0.090 174.576 174.700 -0.056 0.000 1.111 405 T CA 0.195 62.278 62.100 -0.029 0.000 1.010 405 T CB -1.052 67.805 68.868 -0.017 0.000 0.984 405 T HN 0.701 nan 8.240 nan 0.000 0.537 406 D N 0.606 120.964 120.400 -0.069 0.000 2.232 406 D HA 0.261 4.928 4.640 0.044 0.000 0.242 406 D C 1.062 177.258 176.300 -0.173 0.000 1.093 406 D CA -0.666 53.255 54.000 -0.131 0.000 0.845 406 D CB 0.768 41.509 40.800 -0.099 0.000 1.124 406 D HN -0.032 nan 8.370 nan 0.000 0.467 407 L N 3.732 124.766 121.223 -0.315 0.000 2.477 407 L HA 0.079 4.445 4.340 0.044 0.000 0.220 407 L C 1.822 178.474 176.870 -0.364 0.000 1.106 407 L CA 0.409 55.074 54.840 -0.292 0.000 0.851 407 L CB -1.069 40.874 42.059 -0.193 0.000 0.994 407 L HN 0.630 nan 8.230 nan 0.000 0.462 408 M N 0.668 119.921 119.600 -0.579 0.000 2.132 408 M HA -0.133 4.373 4.480 0.044 0.000 0.263 408 M C 2.072 178.333 176.300 -0.065 0.000 1.065 408 M CA 1.673 56.786 55.300 -0.313 0.000 1.122 408 M CB -0.334 32.097 32.600 -0.281 0.000 1.365 408 M HN 0.184 nan 8.290 nan 0.000 0.411 409 E N -0.279 119.895 120.200 -0.044 0.000 2.118 409 E HA -0.200 4.177 4.350 0.044 0.000 0.195 409 E C 1.950 178.527 176.600 -0.040 0.000 0.992 409 E CA 1.309 57.753 56.400 0.074 0.000 0.804 409 E CB -0.360 29.399 29.700 0.099 0.000 0.741 409 E HN 0.652 nan 8.360 nan 0.000 0.458 410 A N 1.465 124.247 122.820 -0.062 0.000 1.855 410 A HA -0.151 4.195 4.320 0.044 0.000 0.215 410 A C 2.193 179.759 177.584 -0.029 0.000 1.191 410 A CA 1.121 53.119 52.037 -0.065 0.000 0.613 410 A CB -0.307 18.662 19.000 -0.051 0.000 0.829 410 A HN 0.086 nan 8.150 nan 0.000 0.442 411 M N -0.126 119.487 119.600 0.023 0.000 2.149 411 M HA -0.167 4.339 4.480 0.044 0.000 0.261 411 M C 2.477 178.806 176.300 0.049 0.000 1.064 411 M CA 1.612 56.954 55.300 0.070 0.000 1.102 411 M CB -1.541 31.164 32.600 0.175 0.000 1.369 411 M HN 0.513 nan 8.290 nan 0.000 0.408 412 A N 0.211 123.064 122.820 0.055 0.000 1.845 412 A HA -0.183 4.164 4.320 0.044 0.000 0.215 412 A C 2.253 179.857 177.584 0.034 0.000 1.195 412 A CA 1.843 53.937 52.037 0.094 0.000 0.616 412 A CB -0.672 18.465 19.000 0.228 0.000 0.832 412 A HN 0.464 nan 8.150 nan 0.000 0.443 413 M N -0.501 119.020 119.600 -0.133 0.000 2.108 413 M HA -0.137 4.369 4.480 0.044 0.000 0.261 413 M C 2.267 178.609 176.300 0.069 0.000 1.066 413 M CA 1.502 56.746 55.300 -0.093 0.000 1.107 413 M CB -0.601 31.782 32.600 -0.362 0.000 1.356 413 M HN 0.549 nan 8.290 nan 0.000 0.406 414 G N -0.745 108.056 108.800 0.003 0.000 2.421 414 G HA2 -0.183 3.803 3.960 0.044 0.000 0.216 414 G HA3 -0.183 3.803 3.960 0.044 0.000 0.216 414 G C 1.581 176.453 174.900 -0.045 0.000 1.171 414 G CA 1.127 46.225 45.100 -0.003 0.000 0.775 414 G HN 0.436 nan 8.290 nan 0.000 0.543 415 S N 0.024 115.700 115.700 -0.040 0.000 2.356 415 S HA -0.115 4.381 4.470 0.044 0.000 0.223 415 S C 2.513 177.015 174.600 -0.162 0.000 1.032 415 S CA 1.216 59.376 58.200 -0.068 0.000 1.005 415 S CB -0.370 62.816 63.200 -0.023 0.000 0.867 415 S HN 0.166 nan 8.310 nan 0.000 0.449 416 V N 1.827 121.622 119.914 -0.199 0.000 2.343 416 V HA -0.185 3.961 4.120 0.044 0.000 0.247 416 V C 2.577 178.182 176.094 -0.816 0.000 1.051 416 V CA 2.128 64.149 62.300 -0.465 0.000 1.036 416 V CB -0.709 30.927 31.823 -0.311 0.000 0.654 416 V HN 0.432 nan 8.190 nan 0.000 0.451 417 E N 0.917 120.753 120.200 -0.607 0.000 2.058 417 E HA -0.207 4.169 4.350 0.044 0.000 0.194 417 E C 2.120 178.583 176.600 -0.229 0.000 0.997 417 E CA 1.850 57.975 56.400 -0.458 0.000 0.801 417 E CB -0.541 29.031 29.700 -0.212 0.000 0.746 417 E HN 0.503 nan 8.360 nan 0.000 0.450 418 A N 0.314 123.025 122.820 -0.181 0.000 1.902 418 A HA -0.206 4.141 4.320 0.044 0.000 0.217 418 A C 2.417 179.927 177.584 -0.123 0.000 1.181 418 A CA 2.425 54.395 52.037 -0.112 0.000 0.623 418 A CB -1.093 17.855 19.000 -0.086 0.000 0.818 418 A HN 0.460 nan 8.150 nan 0.000 0.443 419 S N -1.365 114.213 115.700 -0.203 0.000 2.399 419 S HA -0.193 4.303 4.470 0.044 0.000 0.231 419 S C 1.863 176.392 174.600 -0.119 0.000 1.022 419 S CA 1.463 59.550 58.200 -0.187 0.000 0.983 419 S CB -0.753 62.293 63.200 -0.256 0.000 0.803 419 S HN 0.515 nan 8.310 nan 0.000 0.480 420 Y N 1.939 122.137 120.300 -0.171 0.000 2.163 420 Y HA 0.161 4.742 4.550 0.051 0.000 0.288 420 Y C 2.703 178.529 175.900 -0.124 0.000 1.136 420 Y CA 0.544 58.540 58.100 -0.174 0.000 1.147 420 Y CB -0.626 37.693 38.460 -0.235 0.000 0.987 420 Y HN 0.150 nan 8.280 nan 0.000 0.509 421 K N 0.378 120.813 120.400 0.059 0.000 2.026 421 K HA -0.138 4.208 4.320 0.044 0.000 0.208 421 K C 1.752 178.351 176.600 -0.002 0.000 1.048 421 K CA 1.631 57.926 56.287 0.013 0.000 0.929 421 K CB -0.783 31.714 32.500 -0.005 0.000 0.713 421 K HN 0.509 nan 8.250 nan 0.000 0.439 422 C N 0.156 119.447 119.300 -0.015 0.000 2.688 422 C HA 0.461 4.947 4.460 0.044 0.000 0.297 422 C C 0.848 175.825 174.990 -0.021 0.000 1.308 422 C CA -0.866 58.139 59.018 -0.021 0.000 1.726 422 C CB -1.553 26.167 27.740 -0.033 0.000 1.982 422 C HN 0.416 nan 8.230 nan 0.000 0.604 423 L N 0.566 121.782 121.223 -0.011 0.000 3.854 423 L HA -0.253 4.113 4.340 0.044 0.000 0.460 423 L C 1.197 178.051 176.870 -0.027 0.000 1.228 423 L CA 0.429 55.263 54.840 -0.010 0.000 0.760 423 L CB -2.090 39.968 42.059 -0.003 0.000 1.597 423 L HN 0.729 nan 8.230 nan 0.000 0.852 424 A N 0.180 122.971 122.820 -0.048 0.000 2.531 424 A HA 0.426 4.772 4.320 0.044 0.000 0.236 424 A C 1.475 179.027 177.584 -0.054 0.000 1.062 424 A CA 0.704 52.698 52.037 -0.071 0.000 0.760 424 A CB 0.586 19.530 19.000 -0.095 0.000 0.995 424 A HN 0.700 nan 8.150 nan 0.000 0.501 425 A N 1.578 124.360 122.820 -0.062 0.000 2.066 425 A HA 0.470 4.816 4.320 0.044 0.000 0.218 425 A C 1.117 178.741 177.584 0.066 0.000 1.157 425 A CA 1.829 53.884 52.037 0.030 0.000 0.670 425 A CB -0.444 18.611 19.000 0.092 0.000 0.804 425 A HN 2.523 nan 8.150 nan 0.000 0.453 426 A N -2.264 120.537 122.820 -0.032 0.000 2.522 426 A HA 0.562 4.908 4.320 0.044 0.000 0.291 426 A C -2.031 175.531 177.584 -0.036 0.000 1.039 426 A CA -0.667 51.380 52.037 0.018 0.000 0.643 426 A CB 0.091 19.220 19.000 0.215 0.000 1.310 426 A HN 0.339 nan 8.150 nan 0.000 0.436 427 L N 1.041 122.265 121.223 0.002 0.000 2.325 427 L HA 0.599 4.966 4.340 0.044 0.000 0.281 427 L C -0.425 176.467 176.870 0.035 0.000 1.004 427 L CA 0.056 54.892 54.840 -0.007 0.000 0.823 427 L CB 1.454 43.507 42.059 -0.010 0.000 1.236 427 L HN 0.577 nan 8.230 nan 0.000 0.415 428 I N 3.889 124.472 120.570 0.022 0.000 2.315 428 I HA 0.432 4.628 4.170 0.044 0.000 0.291 428 I C -0.637 175.502 176.117 0.036 0.000 1.006 428 I CA -0.688 60.640 61.300 0.046 0.000 1.265 428 I CB 1.404 39.423 38.000 0.031 0.000 1.387 428 I HN 0.213 nan 8.210 nan 0.000 0.475 429 V N 7.531 127.473 119.914 0.047 0.000 2.443 429 V HA 0.366 4.513 4.120 0.044 0.000 0.293 429 V C -0.025 176.086 176.094 0.027 0.000 1.021 429 V CA -0.607 61.715 62.300 0.037 0.000 0.848 429 V CB 1.837 33.683 31.823 0.037 0.000 0.998 429 V HN 0.488 nan 8.190 nan 0.000 0.424 430 L N 4.358 125.592 121.223 0.019 0.000 2.265 430 L HA 0.697 5.063 4.340 0.044 0.000 0.288 430 L C 0.232 177.118 176.870 0.026 0.000 1.058 430 L CA 0.322 55.167 54.840 0.010 0.000 0.809 430 L CB 1.359 43.406 42.059 -0.019 0.000 1.179 430 L HN 0.761 nan 8.230 nan 0.000 0.429 431 T N 0.920 115.482 114.554 0.014 0.000 2.889 431 T HA 0.296 4.672 4.350 0.044 0.000 0.315 431 T C 0.041 174.743 174.700 0.004 0.000 1.291 431 T CA -0.421 61.682 62.100 0.006 0.000 1.028 431 T CB 1.927 70.767 68.868 -0.047 0.000 1.235 431 T HN 0.604 nan 8.240 nan 0.000 0.491 432 E N 1.084 121.291 120.200 0.012 0.000 2.288 432 E HA 0.082 4.459 4.350 0.044 0.000 0.200 432 E C 2.152 178.755 176.600 0.004 0.000 0.880 432 E CA 1.147 57.559 56.400 0.021 0.000 0.971 432 E CB -0.249 29.479 29.700 0.046 0.000 0.954 432 E HN 0.664 nan 8.360 nan 0.000 0.489 433 S N -0.465 115.227 115.700 -0.013 0.000 2.461 433 S HA 0.128 4.625 4.470 0.044 0.000 0.228 433 S C 1.726 176.263 174.600 -0.105 0.000 1.005 433 S CA 1.157 59.344 58.200 -0.022 0.000 0.942 433 S CB 0.245 63.438 63.200 -0.011 0.000 0.776 433 S HN 0.325 nan 8.310 nan 0.000 0.514 434 G N 1.813 110.489 108.800 -0.206 0.000 2.241 434 G HA2 -0.325 3.661 3.960 0.044 0.000 0.244 434 G HA3 -0.325 3.661 3.960 0.044 0.000 0.244 434 G C 1.033 175.327 174.900 -1.009 0.000 0.998 434 G CA 0.310 45.118 45.100 -0.486 0.000 0.621 434 G HN 0.487 nan 8.290 nan 0.000 0.519 435 R N 0.807 120.932 120.500 -0.624 0.000 2.143 435 R HA -0.157 4.209 4.340 0.044 0.000 0.239 435 R C 2.776 178.907 176.300 -0.282 0.000 1.126 435 R CA 2.192 58.041 56.100 -0.417 0.000 0.927 435 R CB -0.853 29.378 30.300 -0.114 0.000 0.860 435 R HN 0.407 nan 8.270 nan 0.000 0.433 436 S N 0.220 115.840 115.700 -0.132 0.000 2.380 436 S HA -0.222 4.275 4.470 0.044 0.000 0.229 436 S C 2.014 176.591 174.600 -0.039 0.000 1.043 436 S CA 1.461 59.651 58.200 -0.016 0.000 1.038 436 S CB -0.254 62.986 63.200 0.067 0.000 0.872 436 S HN 0.559 nan 8.310 nan 0.000 0.456 437 A N 1.230 123.975 122.820 -0.126 0.000 1.929 437 A HA -0.102 4.244 4.320 0.044 0.000 0.216 437 A C 1.771 179.342 177.584 -0.022 0.000 1.176 437 A CA 1.337 53.340 52.037 -0.056 0.000 0.628 437 A CB -0.806 18.159 19.000 -0.059 0.000 0.816 437 A HN 0.505 nan 8.150 nan 0.000 0.444 438 H N 0.240 119.156 119.070 -0.256 0.000 2.319 438 H HA -0.131 4.451 4.556 0.043 0.000 0.297 438 H C 2.200 177.460 175.328 -0.113 0.000 1.097 438 H CA 1.727 57.528 56.048 -0.411 0.000 1.285 438 H CB -0.427 29.014 29.762 -0.534 0.000 1.368 438 H HN 0.470 nan 8.280 nan 0.000 0.495 439 Q N 0.240 120.091 119.800 0.085 0.000 2.084 439 Q HA -0.078 4.289 4.340 0.044 0.000 0.202 439 Q C 2.674 178.784 176.000 0.183 0.000 0.978 439 Q CA 0.934 56.810 55.803 0.122 0.000 0.844 439 Q CB -0.545 28.264 28.738 0.119 0.000 0.898 439 Q HN 0.322 nan 8.270 nan 0.000 0.426 440 V N 1.168 121.171 119.914 0.148 0.000 2.358 440 V HA -0.229 3.917 4.120 0.044 0.000 0.246 440 V C 2.385 178.576 176.094 0.162 0.000 1.047 440 V CA 1.691 64.090 62.300 0.166 0.000 1.035 440 V CB -1.029 30.855 31.823 0.101 0.000 0.658 440 V HN 0.316 nan 8.190 nan 0.000 0.452 441 A N 0.079 122.978 122.820 0.131 0.000 1.933 441 A HA -0.246 4.100 4.320 0.044 0.000 0.218 441 A C 2.398 180.050 177.584 0.114 0.000 1.175 441 A CA 1.908 54.029 52.037 0.141 0.000 0.628 441 A CB -0.592 18.518 19.000 0.183 0.000 0.814 441 A HN 0.497 nan 8.150 nan 0.000 0.444 442 R N -1.544 118.985 120.500 0.048 0.000 2.103 442 R HA -0.198 4.169 4.340 0.044 0.000 0.242 442 R C 0.881 177.030 176.300 -0.252 0.000 1.142 442 R CA 1.929 57.948 56.100 -0.136 0.000 0.960 442 R CB -0.381 29.740 30.300 -0.298 0.000 0.858 442 R HN 0.548 nan 8.270 nan 0.000 0.439 443 Y N 1.324 121.713 120.300 0.148 0.000 2.465 443 Y HA 0.204 4.777 4.550 0.039 0.000 0.311 443 Y C -0.011 176.062 175.900 0.289 0.000 1.204 443 Y CA -0.106 58.124 58.100 0.217 0.000 1.272 443 Y CB 0.057 38.681 38.460 0.272 0.000 1.083 443 Y HN -0.029 nan 8.280 nan 0.000 0.508 444 R N 0.268 120.927 120.500 0.265 0.000 2.884 444 R HA -0.173 4.193 4.340 0.044 0.000 0.251 444 R C -2.855 173.626 176.300 0.300 0.000 0.870 444 R CA 0.209 56.470 56.100 0.268 0.000 0.647 444 R CB -1.693 28.770 30.300 0.271 0.000 1.415 444 R HN 0.301 nan 8.270 nan 0.000 0.513 445 P HA 0.072 nan 4.420 nan 0.000 0.274 445 P C 0.503 177.852 177.300 0.082 0.000 1.237 445 P CA -0.396 62.691 63.100 -0.021 0.000 0.793 445 P CB 0.698 32.329 31.700 -0.116 0.000 0.977 446 R N 1.663 122.157 120.500 -0.009 0.000 2.093 446 R HA 0.066 4.432 4.340 0.044 0.000 0.224 446 R C 0.805 177.072 176.300 -0.055 0.000 1.101 446 R CA 0.589 56.605 56.100 -0.139 0.000 0.979 446 R CB -0.345 29.710 30.300 -0.407 0.000 0.877 446 R HN 0.595 nan 8.270 nan 0.000 0.441 447 A N 2.262 125.045 122.820 -0.063 0.000 2.304 447 A HA 0.409 4.755 4.320 0.044 0.000 0.271 447 A C -2.294 175.262 177.584 -0.046 0.000 1.091 447 A CA -1.646 50.356 52.037 -0.058 0.000 0.812 447 A CB 0.186 19.152 19.000 -0.056 0.000 1.056 447 A HN 0.256 nan 8.150 nan 0.000 0.489 448 P HA 0.206 nan 4.420 nan 0.000 0.271 448 P C -0.869 176.448 177.300 0.029 0.000 1.216 448 P CA 0.307 63.360 63.100 -0.079 0.000 0.776 448 P CB 0.552 32.044 31.700 -0.346 0.000 0.881 449 I N 4.335 124.959 120.570 0.090 0.000 2.310 449 I HA 0.253 4.449 4.170 0.044 0.000 0.287 449 I C 0.766 176.991 176.117 0.180 0.000 1.073 449 I CA -0.617 60.752 61.300 0.114 0.000 1.216 449 I CB 0.213 38.278 38.000 0.107 0.000 1.415 449 I HN 0.136 nan 8.210 nan 0.000 0.480 450 I N 6.139 126.823 120.570 0.191 0.000 2.329 450 I HA 0.201 4.397 4.170 0.044 0.000 0.295 450 I C 0.754 176.973 176.117 0.170 0.000 1.109 450 I CA -0.003 61.443 61.300 0.243 0.000 1.297 450 I CB 0.531 38.679 38.000 0.246 0.000 1.433 450 I HN 0.563 nan 8.210 nan 0.000 0.509 451 A N 7.328 130.244 122.820 0.160 0.000 2.260 451 A HA 0.577 4.924 4.320 0.044 0.000 0.312 451 A C -0.255 177.372 177.584 0.072 0.000 1.321 451 A CA -0.426 51.663 52.037 0.087 0.000 0.928 451 A CB 0.534 19.565 19.000 0.051 0.000 1.158 451 A HN 0.456 nan 8.150 nan 0.000 0.542 452 V N 2.696 122.641 119.914 0.051 0.000 2.407 452 V HA 0.671 4.818 4.120 0.044 0.000 0.278 452 V C 0.574 176.674 176.094 0.010 0.000 1.037 452 V CA -0.013 62.308 62.300 0.034 0.000 0.900 452 V CB 1.203 33.041 31.823 0.025 0.000 0.983 452 V HN 0.963 nan 8.190 nan 0.000 0.459 453 T N 4.133 118.687 114.554 -0.001 0.000 2.868 453 T HA 0.428 4.805 4.350 0.044 0.000 0.306 453 T C 0.429 175.116 174.700 -0.022 0.000 1.224 453 T CA -0.623 61.474 62.100 -0.006 0.000 1.012 453 T CB 1.783 70.647 68.868 -0.005 0.000 1.221 453 T HN 0.645 nan 8.240 nan 0.000 0.499 454 R N 1.343 121.846 120.500 0.005 0.000 2.334 454 R HA 0.217 4.583 4.340 0.044 0.000 0.212 454 R C 0.448 176.796 176.300 0.080 0.000 0.897 454 R CA -0.213 55.899 56.100 0.020 0.000 1.056 454 R CB 0.232 30.565 30.300 0.054 0.000 1.046 454 R HN 0.366 nan 8.270 nan 0.000 0.513 455 N N 1.143 119.883 118.700 0.067 0.000 2.555 455 N HA -0.021 4.745 4.740 0.044 0.000 0.244 455 N C 0.272 175.855 175.510 0.122 0.000 1.114 455 N CA 0.160 53.281 53.050 0.118 0.000 0.963 455 N CB 0.470 39.004 38.487 0.078 0.000 1.276 455 N HN 0.135 nan 8.380 nan 0.000 0.510 456 H N 1.430 120.530 119.070 0.049 0.000 2.362 456 H HA -0.225 4.358 4.556 0.044 0.000 0.294 456 H C 1.806 177.173 175.328 0.064 0.000 1.113 456 H CA 2.356 58.443 56.048 0.065 0.000 1.253 456 H CB 0.242 30.041 29.762 0.062 0.000 1.363 456 H HN 0.661 nan 8.280 nan 0.000 0.494 457 Q N 0.306 120.212 119.800 0.176 0.000 2.079 457 Q HA -0.147 4.220 4.340 0.044 0.000 0.200 457 Q C 2.182 178.241 176.000 0.098 0.000 0.974 457 Q CA 2.051 57.924 55.803 0.117 0.000 0.840 457 Q CB 0.012 28.804 28.738 0.090 0.000 0.898 457 Q HN 0.630 nan 8.270 nan 0.000 0.430 458 T N -2.074 112.534 114.554 0.089 0.000 2.915 458 T HA 0.023 4.399 4.350 0.044 0.000 0.269 458 T C 1.797 176.535 174.700 0.062 0.000 1.071 458 T CA 0.939 63.091 62.100 0.088 0.000 1.132 458 T CB -0.327 68.577 68.868 0.061 0.000 0.878 458 T HN 0.360 nan 8.240 nan 0.000 0.479 459 A N 1.749 124.587 122.820 0.030 0.000 1.897 459 A HA 0.094 4.441 4.320 0.044 0.000 0.215 459 A C 2.603 180.146 177.584 -0.068 0.000 1.181 459 A CA 1.075 53.093 52.037 -0.033 0.000 0.620 459 A CB -0.565 18.412 19.000 -0.037 0.000 0.821 459 A HN 0.487 nan 8.150 nan 0.000 0.443 460 R N -0.490 120.030 120.500 0.032 0.000 2.066 460 R HA -0.113 4.254 4.340 0.044 0.000 0.232 460 R C 2.410 178.782 176.300 0.119 0.000 1.131 460 R CA 1.691 57.848 56.100 0.095 0.000 0.955 460 R CB -0.289 30.081 30.300 0.117 0.000 0.851 460 R HN 0.674 nan 8.270 nan 0.000 0.432 461 Q N -0.232 119.635 119.800 0.111 0.000 2.291 461 Q HA -0.043 4.323 4.340 0.044 0.000 0.205 461 Q C 2.009 178.127 176.000 0.198 0.000 0.970 461 Q CA 1.038 56.931 55.803 0.150 0.000 0.876 461 Q CB -0.013 28.822 28.738 0.162 0.000 0.935 461 Q HN 0.331 nan 8.270 nan 0.000 0.455 462 A N 0.779 123.679 122.820 0.133 0.000 2.024 462 A HA -0.238 4.108 4.320 0.044 0.000 0.220 462 A C 1.353 179.028 177.584 0.151 0.000 1.164 462 A CA 1.564 53.701 52.037 0.166 0.000 0.643 462 A CB -0.738 18.260 19.000 -0.003 0.000 0.806 462 A HN 0.437 nan 8.150 nan 0.000 0.451 463 H N -0.603 118.540 119.070 0.122 0.000 2.489 463 H HA -0.006 4.576 4.556 0.043 0.000 0.295 463 H C 1.644 177.005 175.328 0.055 0.000 1.082 463 H CA 1.216 57.303 56.048 0.065 0.000 1.295 463 H CB -0.196 29.573 29.762 0.010 0.000 1.380 463 H HN 0.414 nan 8.280 nan 0.000 0.548 464 L N 0.041 121.341 121.223 0.129 0.000 2.450 464 L HA -0.139 4.227 4.340 0.044 0.000 0.224 464 L C -0.160 176.524 176.870 -0.311 0.000 1.149 464 L CA 0.549 55.320 54.840 -0.115 0.000 0.816 464 L CB -0.090 41.809 42.059 -0.266 0.000 0.932 464 L HN 0.296 nan 8.230 nan 0.000 0.449 465 Y N -0.683 119.621 120.300 0.006 0.000 2.328 465 Y HA 0.369 4.945 4.550 0.042 0.000 0.337 465 Y C 0.625 176.552 175.900 0.045 0.000 1.008 465 Y CA -1.271 56.829 58.100 0.001 0.000 1.129 465 Y CB 0.756 39.207 38.460 -0.014 0.000 1.185 465 Y HN -0.119 nan 8.280 nan 0.000 0.476 466 R N 1.804 122.395 120.500 0.152 0.000 2.504 466 R HA 0.255 4.621 4.340 0.044 0.000 0.291 466 R C 1.174 177.568 176.300 0.157 0.000 0.974 466 R CA 1.219 57.396 56.100 0.129 0.000 1.077 466 R CB -0.534 29.826 30.300 0.101 0.000 0.926 466 R HN 0.977 nan 8.270 nan 0.000 0.407 467 G N 3.916 112.804 108.800 0.146 0.000 2.234 467 G HA2 -0.307 3.679 3.960 0.044 0.000 0.260 467 G HA3 -0.307 3.679 3.960 0.044 0.000 0.260 467 G C 0.280 175.281 174.900 0.168 0.000 0.987 467 G CA 0.291 45.476 45.100 0.142 0.000 0.625 467 G HN 0.583 nan 8.290 nan 0.000 0.532 468 I N 0.822 121.500 120.570 0.180 0.000 2.416 468 I HA 0.399 4.595 4.170 0.044 0.000 0.288 468 I C -0.028 176.191 176.117 0.170 0.000 1.051 468 I CA -0.525 60.877 61.300 0.169 0.000 1.375 468 I CB 0.703 38.789 38.000 0.143 0.000 1.407 468 I HN 0.081 nan 8.210 nan 0.000 0.516 469 F N 10.121 130.118 119.950 0.078 0.000 2.291 469 F HA 0.430 4.982 4.527 0.043 0.000 0.368 469 F C -2.037 173.788 175.800 0.041 0.000 1.085 469 F CA -2.811 55.247 58.000 0.098 0.000 1.165 469 F CB 0.600 39.723 39.000 0.206 0.000 1.429 469 F HN 0.258 nan 8.300 nan 0.000 0.503 470 P HA 0.049 nan 4.420 nan 0.000 0.268 470 P C -1.031 176.248 177.300 -0.034 0.000 1.204 470 P CA 0.179 63.199 63.100 -0.133 0.000 0.768 470 P CB 1.793 33.299 31.700 -0.322 0.000 0.842 471 V N 4.848 124.799 119.914 0.062 0.000 2.447 471 V HA 0.107 4.254 4.120 0.044 0.000 0.292 471 V C 0.245 176.365 176.094 0.044 0.000 1.021 471 V CA -0.809 61.554 62.300 0.104 0.000 0.850 471 V CB 2.160 34.079 31.823 0.161 0.000 1.005 471 V HN 0.267 nan 8.190 nan 0.000 0.426 472 V N 4.250 124.188 119.914 0.040 0.000 2.427 472 V HA 0.160 4.306 4.120 0.044 0.000 0.268 472 V C 0.507 176.573 176.094 -0.048 0.000 1.046 472 V CA -0.240 62.020 62.300 -0.066 0.000 0.970 472 V CB 1.160 32.881 31.823 -0.169 0.000 1.001 472 V HN 1.005 nan 8.190 nan 0.000 0.476 473 C N 6.631 125.898 119.300 -0.055 0.000 2.325 473 C HA 0.384 4.870 4.460 0.044 0.000 0.347 473 C C 1.399 176.377 174.990 -0.019 0.000 1.263 473 C CA -0.528 58.477 59.018 -0.022 0.000 1.806 473 C CB -0.354 27.378 27.740 -0.013 0.000 2.405 473 C HN 1.026 nan 8.230 nan 0.000 0.537 474 K N 2.425 122.825 120.400 0.000 0.000 2.361 474 K HA 0.106 4.452 4.320 0.044 0.000 0.194 474 K C 0.305 176.921 176.600 0.028 0.000 1.032 474 K CA 0.025 56.332 56.287 0.032 0.000 1.048 474 K CB 0.141 32.658 32.500 0.029 0.000 0.842 474 K HN 0.738 nan 8.250 nan 0.000 0.526 475 D N 3.284 123.691 120.400 0.012 0.000 2.443 475 D HA 0.012 4.679 4.640 0.044 0.000 0.239 475 D C -2.146 174.161 176.300 0.011 0.000 1.136 475 D CA -0.669 53.334 54.000 0.006 0.000 0.879 475 D CB 0.659 41.456 40.800 -0.006 0.000 1.195 475 D HN 0.073 nan 8.370 nan 0.000 0.443 476 P HA 0.006 nan 4.420 nan 0.000 0.277 476 P C -0.084 177.223 177.300 0.012 0.000 1.240 476 P CA -0.537 62.573 63.100 0.016 0.000 0.798 476 P CB 0.959 32.667 31.700 0.013 0.000 0.979 477 V N 2.487 122.414 119.914 0.022 0.000 2.493 477 V HA -0.053 4.094 4.120 0.044 0.000 0.292 477 V C 0.497 176.604 176.094 0.022 0.000 1.016 477 V CA 0.350 62.667 62.300 0.028 0.000 1.097 477 V CB -0.432 31.425 31.823 0.057 0.000 0.947 477 V HN 0.492 nan 8.190 nan 0.000 0.479 478 Q N 4.903 124.706 119.800 0.005 0.000 2.524 478 Q HA 0.160 4.526 4.340 0.044 0.000 0.246 478 Q C 1.229 177.244 176.000 0.026 0.000 1.063 478 Q CA 0.385 56.189 55.803 0.001 0.000 0.945 478 Q CB 0.658 29.380 28.738 -0.028 0.000 1.292 478 Q HN 0.835 nan 8.270 nan 0.000 0.518 479 E N 0.635 120.846 120.200 0.019 0.000 2.017 479 E HA -0.085 4.291 4.350 0.044 0.000 0.193 479 E C -0.194 176.434 176.600 0.047 0.000 0.997 479 E CA 1.239 57.656 56.400 0.028 0.000 0.804 479 E CB -0.331 29.378 29.700 0.014 0.000 0.757 479 E HN 0.613 nan 8.360 nan 0.000 0.448 480 A N 1.967 124.806 122.820 0.031 0.000 2.354 480 A HA 0.029 4.375 4.320 0.044 0.000 0.281 480 A C 0.804 178.429 177.584 0.068 0.000 1.174 480 A CA -0.404 51.660 52.037 0.045 0.000 0.828 480 A CB -0.307 18.696 19.000 0.005 0.000 1.099 480 A HN 0.511 nan 8.150 nan 0.000 0.516 481 W N 3.147 124.398 121.300 -0.082 0.000 2.325 481 W HA -0.301 4.385 4.660 0.043 0.000 0.299 481 W C 1.555 178.006 176.519 -0.113 0.000 1.215 481 W CA 2.092 59.379 57.345 -0.097 0.000 1.244 481 W CB -0.088 29.299 29.460 -0.121 0.000 1.140 481 W HN 0.777 nan 8.180 nan 0.000 0.523 482 A N 0.637 123.366 122.820 -0.152 0.000 1.898 482 A HA -0.228 4.118 4.320 0.044 0.000 0.216 482 A C 1.838 179.267 177.584 -0.257 0.000 1.181 482 A CA 1.848 53.725 52.037 -0.267 0.000 0.620 482 A CB -0.951 17.959 19.000 -0.149 0.000 0.819 482 A HN 0.456 nan 8.150 nan 0.000 0.442 483 E N -0.705 119.396 120.200 -0.166 0.000 2.106 483 E HA -0.199 4.177 4.350 0.044 0.000 0.192 483 E C 1.643 178.140 176.600 -0.173 0.000 0.984 483 E CA 1.101 57.420 56.400 -0.136 0.000 0.806 483 E CB -0.154 29.498 29.700 -0.080 0.000 0.750 483 E HN 0.643 nan 8.360 nan 0.000 0.458 484 D N -0.079 120.195 120.400 -0.210 0.000 2.178 484 D HA -0.121 4.545 4.640 0.044 0.000 0.201 484 D C 1.757 177.850 176.300 -0.344 0.000 0.980 484 D CA 0.599 54.461 54.000 -0.230 0.000 0.842 484 D CB 0.251 40.934 40.800 -0.195 0.000 0.948 484 D HN -0.049 nan 8.370 nan 0.000 0.472 485 V N 0.535 120.143 119.914 -0.509 0.000 2.255 485 V HA -0.152 3.994 4.120 0.044 0.000 0.243 485 V C 1.880 177.809 176.094 -0.275 0.000 1.038 485 V CA 1.752 63.753 62.300 -0.499 0.000 1.008 485 V CB -0.492 30.949 31.823 -0.637 0.000 0.645 485 V HN 0.177 nan 8.190 nan 0.000 0.449 486 D N 0.004 120.268 120.400 -0.227 0.000 2.221 486 D HA -0.175 4.491 4.640 0.044 0.000 0.204 486 D C 1.990 178.225 176.300 -0.108 0.000 0.982 486 D CA 1.202 55.117 54.000 -0.141 0.000 0.857 486 D CB -0.073 40.657 40.800 -0.116 0.000 0.934 486 D HN 0.407 nan 8.370 nan 0.000 0.475 487 L N 0.574 121.725 121.223 -0.120 0.000 1.988 487 L HA -0.149 4.217 4.340 0.044 0.000 0.207 487 L C 2.362 179.190 176.870 -0.070 0.000 1.071 487 L CA 1.261 56.051 54.840 -0.084 0.000 0.744 487 L CB -0.009 41.999 42.059 -0.086 0.000 0.893 487 L HN -0.172 nan 8.230 nan 0.000 0.433 488 R N -0.818 119.626 120.500 -0.093 0.000 2.152 488 R HA -0.121 4.245 4.340 0.044 0.000 0.232 488 R C 2.007 178.281 176.300 -0.043 0.000 1.117 488 R CA 1.340 57.401 56.100 -0.066 0.000 0.981 488 R CB -0.443 29.804 30.300 -0.088 0.000 0.870 488 R HN 0.312 nan 8.270 nan 0.000 0.451 489 V N 0.890 120.767 119.914 -0.061 0.000 2.379 489 V HA -0.186 3.960 4.120 0.044 0.000 0.245 489 V C 1.468 177.558 176.094 -0.006 0.000 1.044 489 V CA 1.808 64.087 62.300 -0.035 0.000 1.036 489 V CB -0.476 31.312 31.823 -0.058 0.000 0.664 489 V HN 0.398 nan 8.190 nan 0.000 0.453 490 N N 0.074 118.764 118.700 -0.017 0.000 2.244 490 N HA -0.154 4.612 4.740 0.044 0.000 0.183 490 N C 1.730 177.249 175.510 0.016 0.000 1.016 490 N CA 0.888 53.939 53.050 0.001 0.000 0.866 490 N CB -0.121 38.358 38.487 -0.014 0.000 0.980 490 N HN 0.325 nan 8.380 nan 0.000 0.430 491 L N 1.280 122.508 121.223 0.008 0.000 2.046 491 L HA -0.025 4.341 4.340 0.044 0.000 0.208 491 L C 2.122 179.015 176.870 0.038 0.000 1.077 491 L CA 1.439 56.289 54.840 0.017 0.000 0.747 491 L CB -0.825 41.241 42.059 0.012 0.000 0.896 491 L HN 0.065 nan 8.230 nan 0.000 0.432 492 A N -0.759 122.095 122.820 0.056 0.000 1.898 492 A HA -0.172 4.175 4.320 0.044 0.000 0.216 492 A C 2.215 179.894 177.584 0.159 0.000 1.181 492 A CA 1.898 53.995 52.037 0.101 0.000 0.620 492 A CB -0.494 18.570 19.000 0.106 0.000 0.819 492 A HN 0.487 nan 8.150 nan 0.000 0.442 493 M N -0.086 119.607 119.600 0.156 0.000 2.086 493 M HA -0.178 4.329 4.480 0.044 0.000 0.261 493 M C 1.820 178.218 176.300 0.164 0.000 1.067 493 M CA 1.717 57.169 55.300 0.253 0.000 1.116 493 M CB -1.622 31.062 32.600 0.140 0.000 1.348 493 M HN 0.570 nan 8.290 nan 0.000 0.407 494 N N -0.194 118.536 118.700 0.051 0.000 2.106 494 N HA -0.117 4.649 4.740 0.044 0.000 0.188 494 N C 1.773 177.217 175.510 -0.110 0.000 1.029 494 N CA 0.973 54.010 53.050 -0.021 0.000 0.848 494 N CB -0.013 38.466 38.487 -0.012 0.000 1.007 494 N HN 0.035 nan 8.380 nan 0.000 0.423 495 V N 1.052 120.907 119.914 -0.098 0.000 2.324 495 V HA -0.237 3.909 4.120 0.044 0.000 0.250 495 V C 2.408 178.229 176.094 -0.455 0.000 1.060 495 V CA 2.185 64.370 62.300 -0.191 0.000 1.042 495 V CB -1.236 30.535 31.823 -0.086 0.000 0.650 495 V HN 0.467 nan 8.190 nan 0.000 0.450 496 G N -0.416 108.108 108.800 -0.460 0.000 2.446 496 G HA2 -0.270 3.716 3.960 0.044 0.000 0.217 496 G HA3 -0.270 3.716 3.960 0.044 0.000 0.217 496 G C 1.644 175.892 174.900 -1.087 0.000 1.168 496 G CA 0.984 45.479 45.100 -1.008 0.000 0.771 496 G HN 0.489 nan 8.290 nan 0.000 0.551 497 K N 0.569 120.574 120.400 -0.659 0.000 2.147 497 K HA 0.058 4.404 4.320 0.044 0.000 0.205 497 K C 2.887 179.286 176.600 -0.335 0.000 1.049 497 K CA 0.933 56.987 56.287 -0.387 0.000 0.936 497 K CB -0.168 32.248 32.500 -0.140 0.000 0.722 497 K HN 0.291 nan 8.250 nan 0.000 0.446 498 A N 1.131 123.745 122.820 -0.343 0.000 1.897 498 A HA -0.102 4.244 4.320 0.044 0.000 0.215 498 A C 1.940 179.311 177.584 -0.355 0.000 1.181 498 A CA 1.214 53.086 52.037 -0.275 0.000 0.620 498 A CB -0.192 18.680 19.000 -0.213 0.000 0.821 498 A HN 0.074 nan 8.150 nan 0.000 0.443 499 R N -1.032 119.094 120.500 -0.624 0.000 2.323 499 R HA 0.202 4.568 4.340 0.044 0.000 0.198 499 R C 1.199 177.173 176.300 -0.543 0.000 0.988 499 R CA 0.786 56.424 56.100 -0.770 0.000 1.041 499 R CB -0.396 28.914 30.300 -1.650 0.000 0.926 499 R HN 0.767 nan 8.270 nan 0.000 0.476 500 G N -0.436 108.122 108.800 -0.404 0.000 2.160 500 G HA2 -0.273 3.713 3.960 0.044 0.000 0.251 500 G HA3 -0.273 3.713 3.960 0.044 0.000 0.251 500 G C 0.511 175.423 174.900 0.020 0.000 1.008 500 G CA 0.254 45.262 45.100 -0.153 0.000 0.724 500 G HN 0.267 nan 8.290 nan 0.000 0.514 501 F N -0.282 119.448 119.950 -0.367 0.000 2.259 501 F HA 0.355 4.910 4.527 0.046 0.000 0.298 501 F C 1.346 177.083 175.800 -0.106 0.000 1.088 501 F CA 0.653 58.478 58.000 -0.292 0.000 1.358 501 F CB -0.572 38.159 39.000 -0.449 0.000 1.040 501 F HN 0.464 nan 8.300 nan 0.000 0.505 502 F N -1.531 118.500 119.950 0.135 0.000 2.725 502 F HA 0.495 5.048 4.527 0.043 0.000 0.309 502 F C -0.941 174.873 175.800 0.023 0.000 1.132 502 F CA -2.356 55.681 58.000 0.063 0.000 0.957 502 F CB 0.636 39.669 39.000 0.055 0.000 1.286 502 F HN -0.191 nan 8.300 nan 0.000 0.440 503 K N 0.753 121.314 120.400 0.268 0.000 2.258 503 K HA 0.484 4.831 4.320 0.044 0.000 0.236 503 K C -0.724 175.976 176.600 0.166 0.000 1.008 503 K CA -1.254 55.128 56.287 0.159 0.000 0.869 503 K CB 1.686 34.235 32.500 0.083 0.000 1.171 503 K HN 0.675 nan 8.250 nan 0.000 0.447 504 K N 0.428 120.890 120.400 0.104 0.000 2.466 504 K HA -0.063 4.283 4.320 0.044 0.000 0.278 504 K C 0.428 177.058 176.600 0.049 0.000 1.048 504 K CA 1.709 58.039 56.287 0.072 0.000 1.088 504 K CB -0.261 32.266 32.500 0.045 0.000 0.884 504 K HN 0.971 nan 8.250 nan 0.000 0.478 505 G N 3.737 112.554 108.800 0.030 0.000 2.253 505 G HA2 -0.178 3.808 3.960 0.044 0.000 0.209 505 G HA3 -0.178 3.808 3.960 0.044 0.000 0.209 505 G C -0.080 174.819 174.900 -0.002 0.000 0.997 505 G CA -0.104 45.002 45.100 0.011 0.000 0.640 505 G HN 0.663 nan 8.290 nan 0.000 0.496 506 D N 0.268 120.671 120.400 0.005 0.000 2.371 506 D HA 0.494 5.160 4.640 0.044 0.000 0.242 506 D C 0.606 176.847 176.300 -0.099 0.000 1.218 506 D CA 0.191 54.178 54.000 -0.022 0.000 0.945 506 D CB 1.682 42.498 40.800 0.028 0.000 1.137 506 D HN 0.207 nan 8.370 nan 0.000 0.464 507 V N 0.796 120.644 119.914 -0.110 0.000 2.483 507 V HA 0.501 4.648 4.120 0.044 0.000 0.295 507 V C 0.290 176.264 176.094 -0.201 0.000 1.035 507 V CA -0.684 61.535 62.300 -0.135 0.000 0.896 507 V CB 1.579 33.352 31.823 -0.084 0.000 0.986 507 V HN 0.426 nan 8.190 nan 0.000 0.447 508 V N 3.117 122.894 119.914 -0.227 0.000 3.078 508 V HA 0.746 4.893 4.120 0.044 0.000 0.311 508 V C -0.602 175.401 176.094 -0.151 0.000 1.138 508 V CA -0.953 61.202 62.300 -0.243 0.000 1.007 508 V CB 2.084 33.661 31.823 -0.410 0.000 1.045 508 V HN 0.911 nan 8.190 nan 0.000 0.432 509 I N 1.197 121.698 120.570 -0.114 0.000 2.412 509 I HA 0.877 5.074 4.170 0.044 0.000 0.296 509 I C -0.931 175.153 176.117 -0.055 0.000 0.987 509 I CA -0.829 60.426 61.300 -0.076 0.000 1.180 509 I CB 1.938 39.897 38.000 -0.069 0.000 1.340 509 I HN 0.454 nan 8.210 nan 0.000 0.455 510 V N 7.160 127.053 119.914 -0.036 0.000 2.409 510 V HA 0.416 4.562 4.120 0.044 0.000 0.291 510 V C -0.003 176.096 176.094 0.008 0.000 1.020 510 V CA -0.492 61.798 62.300 -0.017 0.000 0.848 510 V CB 1.526 33.334 31.823 -0.024 0.000 0.990 510 V HN 0.609 nan 8.190 nan 0.000 0.430 511 L N 5.914 127.149 121.223 0.020 0.000 2.276 511 L HA 0.670 5.037 4.340 0.044 0.000 0.286 511 L C 0.413 177.311 176.870 0.047 0.000 1.024 511 L CA 0.023 54.890 54.840 0.044 0.000 0.826 511 L CB 1.655 43.747 42.059 0.054 0.000 1.211 511 L HN 0.900 nan 8.230 nan 0.000 0.422 512 T N -0.407 114.185 114.554 0.063 0.000 2.831 512 T HA 0.724 5.100 4.350 0.044 0.000 0.287 512 T C -0.007 174.771 174.700 0.130 0.000 1.070 512 T CA -0.709 61.432 62.100 0.070 0.000 1.010 512 T CB 1.854 70.735 68.868 0.022 0.000 1.264 512 T HN 0.452 nan 8.240 nan 0.000 0.532 513 G N -0.825 108.110 108.800 0.226 0.000 2.389 513 G HA2 0.412 4.399 3.960 0.044 0.000 0.317 513 G HA3 0.412 4.399 3.960 0.044 0.000 0.317 513 G C 0.258 175.416 174.900 0.431 0.000 1.137 513 G CA -0.913 44.349 45.100 0.271 0.000 0.870 513 G HN 0.811 nan 8.290 nan 0.000 0.496 514 W N 2.956 124.309 121.300 0.089 0.000 2.378 514 W HA 0.008 4.695 4.660 0.044 0.000 0.313 514 W C 1.020 177.652 176.519 0.187 0.000 1.197 514 W CA 0.883 58.300 57.345 0.119 0.000 1.304 514 W CB 0.327 29.782 29.460 -0.008 0.000 1.148 514 W HN 0.553 nan 8.180 nan 0.000 0.494 515 R N 0.350 120.816 120.500 -0.056 0.000 2.854 515 R HA 0.294 4.660 4.340 0.044 0.000 0.271 515 R C -1.757 173.816 176.300 -1.212 0.000 0.996 515 R CA -1.428 54.300 56.100 -0.621 0.000 0.961 515 R CB 1.105 31.213 30.300 -0.320 0.000 1.182 515 R HN -0.231 nan 8.270 nan 0.000 0.479 516 P HA -0.190 nan 4.420 nan 0.000 0.218 516 P C 1.051 177.863 177.300 -0.812 0.000 1.146 516 P CA 1.959 63.852 63.100 -2.011 0.000 0.813 516 P CB -0.062 30.928 31.700 -1.183 0.000 0.778 517 G N -0.570 107.911 108.800 -0.531 0.000 2.813 517 G HA2 -0.040 3.946 3.960 0.044 0.000 0.209 517 G HA3 -0.040 3.946 3.960 0.044 0.000 0.209 517 G C 0.523 175.308 174.900 -0.192 0.000 1.150 517 G CA -0.075 44.860 45.100 -0.275 0.000 0.785 517 G HN 0.225 nan 8.290 nan 0.000 0.535 518 S N 0.421 115.987 115.700 -0.224 0.000 2.563 518 S HA 0.273 4.769 4.470 0.044 0.000 0.294 518 S C 1.625 176.160 174.600 -0.108 0.000 1.279 518 S CA 0.171 58.266 58.200 -0.174 0.000 1.069 518 S CB 1.386 64.467 63.200 -0.198 0.000 0.828 518 S HN 0.329 nan 8.310 nan 0.000 0.497 519 G N 1.826 110.610 108.800 -0.027 0.000 2.848 519 G HA2 0.341 4.327 3.960 0.044 0.000 0.208 519 G HA3 0.341 4.327 3.960 0.044 0.000 0.208 519 G C 0.067 175.134 174.900 0.278 0.000 1.152 519 G CA 0.198 45.377 45.100 0.131 0.000 0.789 519 G HN 0.690 nan 8.290 nan 0.000 0.531 520 F N -3.600 116.371 119.950 0.035 0.000 3.332 520 F HA 0.476 5.030 4.527 0.044 0.000 0.327 520 F C -0.727 175.115 175.800 0.069 0.000 1.128 520 F CA -1.403 56.620 58.000 0.039 0.000 0.854 520 F CB 0.529 39.544 39.000 0.025 0.000 1.500 520 F HN -0.311 nan 8.300 nan 0.000 0.485 521 T N 2.114 116.787 114.554 0.198 0.000 2.863 521 T HA 0.215 4.592 4.350 0.044 0.000 0.299 521 T C 0.396 175.122 174.700 0.043 0.000 0.973 521 T CA 0.008 62.157 62.100 0.082 0.000 0.994 521 T CB -0.725 68.236 68.868 0.155 0.000 0.961 521 T HN 0.647 nan 8.240 nan 0.000 0.552 522 N N 1.099 119.622 118.700 -0.295 0.000 2.230 522 N HA 0.056 4.823 4.740 0.044 0.000 0.202 522 N C -0.263 175.239 175.510 -0.012 0.000 1.119 522 N CA -0.476 52.459 53.050 -0.193 0.000 0.851 522 N CB 0.558 38.751 38.487 -0.491 0.000 0.990 522 N HN 0.264 nan 8.380 nan 0.000 0.497 523 T N 1.041 115.628 114.554 0.056 0.000 2.881 523 T HA 0.526 4.903 4.350 0.044 0.000 0.291 523 T C -0.553 174.199 174.700 0.087 0.000 0.990 523 T CA -0.755 61.408 62.100 0.104 0.000 0.976 523 T CB 1.419 70.448 68.868 0.268 0.000 0.970 523 T HN 0.342 nan 8.240 nan 0.000 0.438 524 M N 2.209 121.843 119.600 0.058 0.000 2.530 524 M HA 0.839 5.345 4.480 0.044 0.000 0.307 524 M C -1.107 175.210 176.300 0.028 0.000 1.161 524 M CA -0.513 54.810 55.300 0.038 0.000 0.903 524 M CB 2.250 34.864 32.600 0.024 0.000 1.711 524 M HN 0.367 nan 8.290 nan 0.000 0.451 525 R N 1.375 121.883 120.500 0.013 0.000 2.707 525 R HA 0.775 5.141 4.340 0.044 0.000 0.272 525 R C -1.735 174.552 176.300 -0.021 0.000 1.011 525 R CA -1.110 54.992 56.100 0.004 0.000 0.893 525 R CB 2.789 33.100 30.300 0.017 0.000 1.233 525 R HN 0.646 nan 8.270 nan 0.000 0.464 526 V N 3.075 122.973 119.914 -0.027 0.000 2.370 526 V HA 0.460 4.606 4.120 0.044 0.000 0.279 526 V C -0.455 175.612 176.094 -0.045 0.000 1.029 526 V CA -0.410 61.864 62.300 -0.044 0.000 0.870 526 V CB 1.530 33.330 31.823 -0.040 0.000 0.984 526 V HN 0.430 nan 8.190 nan 0.000 0.451 527 V N 6.757 126.631 119.914 -0.066 0.000 2.925 527 V HA 0.487 4.633 4.120 0.044 0.000 0.311 527 V C -2.678 173.362 176.094 -0.090 0.000 1.104 527 V CA -2.103 60.158 62.300 -0.066 0.000 0.954 527 V CB 2.583 34.369 31.823 -0.061 0.000 1.022 527 V HN 0.652 nan 8.190 nan 0.000 0.427 528 P HA 0.208 nan 4.420 nan 0.000 0.279 528 P C 0.685 177.935 177.300 -0.083 0.000 1.239 528 P CA -0.001 63.056 63.100 -0.072 0.000 0.789 528 P CB 1.462 33.138 31.700 -0.041 0.000 0.933 529 V N 4.447 124.296 119.914 -0.108 0.000 2.358 529 V HA -0.017 4.129 4.120 0.044 0.000 0.246 529 V C -1.436 174.661 176.094 0.005 0.000 1.047 529 V CA 1.194 63.442 62.300 -0.087 0.000 1.035 529 V CB -1.879 29.883 31.823 -0.102 0.000 0.658 529 V HN 0.582 nan 8.190 nan 0.000 0.452 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.113 63.100 0.022 0.000 0.800 530 P CB 0.000 31.704 31.700 0.006 0.000 0.726