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 1pkm_1_A DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSPPITA RNTGIICTIG PASRSVEILK DATA SEQUENCE EMIKSGMNVA RLNFSHGTHE YHAETIKNVR AATESFASDP IRYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENVLWLDYK DATA SEQUENCE NICKVVEVGS KVYVDDGLIS LLVKEKGADF LVTEVENGGS LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKASDVH EVRKVLGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE MIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELVRGS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKHGDVVIVL 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 0.000 176.090 176.117 -0.044 0.000 1.063 12 I CA 0.000 61.253 61.300 -0.078 0.000 1.566 12 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 13 Q N 2.804 122.583 119.800 -0.036 0.000 2.397 13 Q HA 0.488 4.829 4.340 0.001 0.000 0.193 13 Q C 0.078 176.088 176.000 0.018 0.000 1.083 13 Q CA 0.297 56.102 55.803 0.004 0.000 1.108 13 Q CB 0.782 29.541 28.738 0.035 0.000 1.172 13 Q HN 0.673 nan 8.270 nan 0.000 0.617 14 T N -1.162 113.410 114.554 0.029 0.000 2.940 14 T HA 0.196 4.547 4.350 0.001 0.000 0.288 14 T C -0.511 174.215 174.700 0.044 0.000 1.045 14 T CA -0.322 61.797 62.100 0.032 0.000 1.018 14 T CB 1.032 69.917 68.868 0.029 0.000 1.151 14 T HN 0.667 nan 8.240 nan 0.000 0.529 15 Q N 1.071 120.897 119.800 0.043 0.000 2.468 15 Q HA -0.261 4.079 4.340 0.001 0.000 0.256 15 Q C -0.173 175.872 176.000 0.075 0.000 0.984 15 Q CA 1.383 57.218 55.803 0.054 0.000 1.110 15 Q CB -0.917 27.849 28.738 0.048 0.000 1.527 15 Q HN 0.823 nan 8.270 nan 0.000 0.535 16 Q N -2.099 117.742 119.800 0.068 0.000 2.502 16 Q HA -0.199 4.141 4.340 0.001 0.000 0.273 16 Q C 0.137 176.204 176.000 0.111 0.000 1.127 16 Q CA 1.078 56.929 55.803 0.079 0.000 0.952 16 Q CB -1.329 27.462 28.738 0.087 0.000 1.333 16 Q HN 0.528 nan 8.270 nan 0.000 0.494 17 L N -1.076 120.210 121.223 0.106 0.000 2.275 17 L HA -0.058 4.282 4.340 0.001 0.000 0.215 17 L C 1.961 178.919 176.870 0.147 0.000 1.119 17 L CA 2.231 57.139 54.840 0.113 0.000 0.790 17 L CB -0.635 41.476 42.059 0.086 0.000 0.919 17 L HN 0.530 nan 8.230 nan 0.000 0.443 18 H N -0.065 119.020 119.070 0.024 0.000 2.299 18 H HA -0.022 4.535 4.556 0.001 0.000 0.302 18 H C 2.067 177.399 175.328 0.007 0.000 1.078 18 H CA 1.619 57.672 56.048 0.009 0.000 1.323 18 H CB 0.148 29.900 29.762 -0.016 0.000 1.381 18 H HN 0.217 nan 8.280 nan 0.000 0.498 19 A N 0.725 123.487 122.820 -0.095 0.000 2.015 19 A HA 0.006 4.327 4.320 0.001 0.000 0.219 19 A C 2.573 180.195 177.584 0.064 0.000 1.163 19 A CA 1.431 53.342 52.037 -0.209 0.000 0.646 19 A CB -1.143 17.624 19.000 -0.389 0.000 0.806 19 A HN 0.587 nan 8.150 nan 0.000 0.448 20 A N -0.808 122.102 122.820 0.151 0.000 2.024 20 A HA -0.117 4.203 4.320 0.001 0.000 0.220 20 A C 1.897 179.606 177.584 0.209 0.000 1.164 20 A CA 1.833 54.009 52.037 0.233 0.000 0.643 20 A CB -0.399 18.708 19.000 0.179 0.000 0.806 20 A HN 0.429 nan 8.150 nan 0.000 0.451 21 M N -0.308 119.358 119.600 0.110 0.000 2.561 21 M HA 0.266 4.746 4.480 0.001 0.000 0.238 21 M C 1.109 177.464 176.300 0.093 0.000 1.131 21 M CA -0.240 55.116 55.300 0.094 0.000 1.046 21 M CB -1.714 30.927 32.600 0.067 0.000 1.532 21 M HN 0.365 nan 8.290 nan 0.000 0.497 22 A N 1.047 123.914 122.820 0.079 0.000 2.507 22 A HA 0.033 4.354 4.320 0.001 0.000 0.235 22 A C 0.988 178.717 177.584 0.241 0.000 1.070 22 A CA 0.174 52.246 52.037 0.060 0.000 0.768 22 A CB 0.270 19.207 19.000 -0.105 0.000 1.011 22 A HN 0.309 nan 8.150 nan 0.000 0.502 23 D N -0.590 119.907 120.400 0.163 0.000 2.327 23 D HA 0.054 4.695 4.640 0.001 0.000 0.205 23 D C 0.766 177.212 176.300 0.244 0.000 0.989 23 D CA 1.734 55.842 54.000 0.180 0.000 0.873 23 D CB 0.248 41.105 40.800 0.096 0.000 0.955 23 D HN 0.766 nan 8.370 nan 0.000 0.515 24 T N -2.967 111.729 114.554 0.238 0.000 2.916 24 T HA 0.229 4.580 4.350 0.001 0.000 0.292 24 T C 0.676 175.555 174.700 0.299 0.000 1.055 24 T CA -0.824 61.435 62.100 0.265 0.000 1.009 24 T CB 1.536 70.485 68.868 0.136 0.000 1.118 24 T HN -0.204 nan 8.240 nan 0.000 0.497 25 F N 1.285 121.374 119.950 0.232 0.000 2.171 25 F HA 0.043 4.571 4.527 0.001 0.000 0.300 25 F C 1.767 177.562 175.800 -0.008 0.000 1.090 25 F CA 0.933 59.006 58.000 0.123 0.000 1.293 25 F CB -0.580 38.531 39.000 0.185 0.000 1.013 25 F HN 0.539 nan 8.300 nan 0.000 0.486 26 L N 0.597 121.745 121.223 -0.124 0.000 2.083 26 L HA -0.154 4.187 4.340 0.001 0.000 0.209 26 L C 2.304 179.032 176.870 -0.238 0.000 1.083 26 L CA 2.001 56.703 54.840 -0.231 0.000 0.752 26 L CB -1.058 40.949 42.059 -0.086 0.000 0.899 26 L HN 0.297 nan 8.230 nan 0.000 0.433 27 E N -1.570 118.535 120.200 -0.160 0.000 2.047 27 E HA -0.315 4.036 4.350 0.001 0.000 0.191 27 E C 2.195 178.628 176.600 -0.277 0.000 0.987 27 E CA 1.194 57.493 56.400 -0.168 0.000 0.799 27 E CB -0.154 29.490 29.700 -0.093 0.000 0.752 27 E HN 0.707 nan 8.360 nan 0.000 0.449 28 H N 0.099 118.885 119.070 -0.474 0.000 2.319 28 H HA -0.143 4.414 4.556 0.001 0.000 0.297 28 H C 2.051 177.086 175.328 -0.488 0.000 1.097 28 H CA 2.313 57.982 56.048 -0.632 0.000 1.285 28 H CB -0.080 29.001 29.762 -1.135 0.000 1.368 28 H HN 0.135 nan 8.280 nan 0.000 0.495 29 M N -1.059 118.175 119.600 -0.610 0.000 2.086 29 M HA -0.189 4.292 4.480 0.001 0.000 0.261 29 M C 2.461 178.537 176.300 -0.372 0.000 1.067 29 M CA 1.530 56.513 55.300 -0.529 0.000 1.116 29 M CB -0.123 32.163 32.600 -0.525 0.000 1.348 29 M HN 0.431 nan 8.290 nan 0.000 0.407 30 C N -0.107 119.010 119.300 -0.305 0.000 2.410 30 C HA -0.126 4.335 4.460 0.001 0.000 0.281 30 C C 2.309 177.180 174.990 -0.198 0.000 1.318 30 C CA 0.886 59.778 59.018 -0.209 0.000 1.776 30 C CB -1.346 26.297 27.740 -0.162 0.000 1.942 30 C HN 0.448 nan 8.230 nan 0.000 0.508 31 R N 0.033 120.370 120.500 -0.272 0.000 2.334 31 R HA 0.230 4.571 4.340 0.001 0.000 0.220 31 R C 0.014 176.195 176.300 -0.199 0.000 0.917 31 R CA -0.077 55.888 56.100 -0.224 0.000 1.073 31 R CB -0.077 30.018 30.300 -0.343 0.000 1.056 31 R HN 0.494 nan 8.270 nan 0.000 0.506 32 L N 1.923 122.995 121.223 -0.251 0.000 2.477 32 L HA 0.045 4.386 4.340 0.001 0.000 0.272 32 L C -0.098 176.711 176.870 -0.101 0.000 1.157 32 L CA 0.083 54.804 54.840 -0.198 0.000 0.889 32 L CB 0.254 42.183 42.059 -0.217 0.000 1.158 32 L HN -0.050 nan 8.230 nan 0.000 0.473 33 D N 3.671 124.036 120.400 -0.059 0.000 2.408 33 D HA 0.235 4.876 4.640 0.001 0.000 0.243 33 D C 0.660 176.947 176.300 -0.022 0.000 1.075 33 D CA -0.563 53.419 54.000 -0.029 0.000 0.832 33 D CB 1.493 42.291 40.800 -0.004 0.000 1.162 33 D HN 0.450 nan 8.370 nan 0.000 0.515 34 I N -0.319 120.238 120.570 -0.022 0.000 3.680 34 I HA 0.249 4.420 4.170 0.001 0.000 0.306 34 I C -0.145 175.968 176.117 -0.007 0.000 1.260 34 I CA 0.237 61.529 61.300 -0.014 0.000 1.201 34 I CB 0.193 38.184 38.000 -0.016 0.000 1.009 34 I HN -0.000 nan 8.210 nan 0.000 0.467 35 D N 0.766 121.162 120.400 -0.007 0.000 2.535 35 D HA 0.133 4.773 4.640 0.001 0.000 0.229 35 D C 0.215 176.515 176.300 0.001 0.000 1.238 35 D CA 0.257 54.255 54.000 -0.003 0.000 0.824 35 D CB 0.870 41.665 40.800 -0.008 0.000 1.045 35 D HN 0.178 nan 8.370 nan 0.000 0.500 36 S N 2.624 118.327 115.700 0.005 0.000 2.512 36 S HA 0.295 4.765 4.470 0.001 0.000 0.291 36 S C -2.567 172.044 174.600 0.019 0.000 1.151 36 S CA -1.418 56.791 58.200 0.013 0.000 1.120 36 S CB 0.606 63.817 63.200 0.019 0.000 1.029 36 S HN -0.089 nan 8.310 nan 0.000 0.485 37 P HA 0.181 nan 4.420 nan 0.000 0.263 37 P C -2.507 174.811 177.300 0.030 0.000 1.195 37 P CA -0.981 62.134 63.100 0.024 0.000 0.762 37 P CB 0.184 31.898 31.700 0.024 0.000 0.799 38 P HA 0.149 nan 4.420 nan 0.000 0.288 38 P C 0.372 177.690 177.300 0.031 0.000 1.291 38 P CA -0.210 62.909 63.100 0.030 0.000 0.766 38 P CB 0.540 32.253 31.700 0.022 0.000 1.242 39 I N -4.333 116.250 120.570 0.022 0.000 2.783 39 I HA 0.312 4.482 4.170 0.001 0.000 0.312 39 I C 1.223 177.358 176.117 0.031 0.000 0.988 39 I CA -0.662 60.653 61.300 0.024 0.000 1.182 39 I CB 0.240 38.240 38.000 -0.000 0.000 1.368 39 I HN 0.104 nan 8.210 nan 0.000 0.511 40 T N 2.147 116.742 114.554 0.069 0.000 2.788 40 T HA -0.014 4.337 4.350 0.001 0.000 0.268 40 T C 1.018 175.786 174.700 0.115 0.000 1.044 40 T CA 1.319 63.497 62.100 0.129 0.000 1.139 40 T CB -0.299 68.690 68.868 0.201 0.000 0.867 40 T HN 0.749 nan 8.240 nan 0.000 0.454 41 A N 1.940 124.714 122.820 -0.077 0.000 2.425 41 A HA 0.479 4.800 4.320 0.001 0.000 0.249 41 A C 0.529 178.027 177.584 -0.143 0.000 1.084 41 A CA -0.344 51.509 52.037 -0.306 0.000 0.781 41 A CB 0.236 18.697 19.000 -0.900 0.000 1.019 41 A HN 0.257 nan 8.150 nan 0.000 0.490 42 R N 2.243 122.702 120.500 -0.067 0.000 2.393 42 R HA 0.258 4.598 4.340 0.001 0.000 0.315 42 R C -0.418 175.886 176.300 0.008 0.000 0.952 42 R CA -0.316 55.741 56.100 -0.073 0.000 0.842 42 R CB 0.788 30.977 30.300 -0.186 0.000 1.163 42 R HN 0.965 nan 8.270 nan 0.000 0.450 43 N N 0.650 119.356 118.700 0.010 0.000 2.409 43 N HA -0.005 4.735 4.740 0.001 0.000 0.174 43 N C -0.348 175.212 175.510 0.084 0.000 1.037 43 N CA 0.364 53.449 53.050 0.059 0.000 0.898 43 N CB 0.404 38.924 38.487 0.056 0.000 1.010 43 N HN 0.454 nan 8.380 nan 0.000 0.445 44 T N 0.638 115.226 114.554 0.058 0.000 2.851 44 T HA 0.266 4.617 4.350 0.001 0.000 0.298 44 T C 0.580 175.323 174.700 0.070 0.000 0.977 44 T CA -0.473 61.660 62.100 0.055 0.000 1.126 44 T CB 1.325 70.211 68.868 0.031 0.000 0.916 44 T HN 0.124 nan 8.240 nan 0.000 0.529 45 G N 2.471 111.316 108.800 0.075 0.000 2.353 45 G HA2 0.538 4.499 3.960 0.001 0.000 0.284 45 G HA3 0.538 4.499 3.960 0.001 0.000 0.284 45 G C -0.294 174.632 174.900 0.044 0.000 1.172 45 G CA -0.681 44.466 45.100 0.078 0.000 0.854 45 G HN 0.759 nan 8.290 nan 0.000 0.485 46 I N 2.369 122.960 120.570 0.035 0.000 2.331 46 I HA 0.275 4.446 4.170 0.001 0.000 0.292 46 I C -0.025 176.102 176.117 0.017 0.000 0.998 46 I CA -0.297 61.022 61.300 0.032 0.000 1.267 46 I CB 1.391 39.421 38.000 0.051 0.000 1.386 46 I HN 0.192 nan 8.210 nan 0.000 0.476 47 I N 5.983 126.576 120.570 0.039 0.000 2.362 47 I HA 0.320 4.491 4.170 0.001 0.000 0.289 47 I C -0.632 175.527 176.117 0.070 0.000 0.994 47 I CA -0.422 60.918 61.300 0.066 0.000 1.158 47 I CB 1.385 39.461 38.000 0.126 0.000 1.315 47 I HN 0.542 nan 8.210 nan 0.000 0.451 48 C N 3.896 123.233 119.300 0.062 0.000 2.329 48 C HA 0.420 4.881 4.460 0.001 0.000 0.329 48 C C 0.701 175.740 174.990 0.082 0.000 1.275 48 C CA -0.614 58.443 59.018 0.065 0.000 1.726 48 C CB 0.894 28.664 27.740 0.050 0.000 2.291 48 C HN 0.662 nan 8.230 nan 0.000 0.514 49 T N 5.019 119.627 114.554 0.091 0.000 2.761 49 T HA 0.274 4.625 4.350 0.001 0.000 0.296 49 T C 0.293 175.052 174.700 0.098 0.000 0.934 49 T CA -0.082 62.080 62.100 0.104 0.000 1.091 49 T CB 0.003 68.936 68.868 0.107 0.000 0.896 49 T HN 0.363 nan 8.240 nan 0.000 0.515 50 I N 3.710 124.342 120.570 0.103 0.000 2.371 50 I HA 0.529 4.699 4.170 0.001 0.000 0.290 50 I C 0.973 177.177 176.117 0.144 0.000 1.028 50 I CA -0.011 61.352 61.300 0.105 0.000 1.345 50 I CB 0.478 38.533 38.000 0.091 0.000 1.407 50 I HN 0.776 nan 8.210 nan 0.000 0.501 51 G N 6.633 115.510 108.800 0.130 0.000 2.975 51 G HA2 0.510 4.471 3.960 0.001 0.000 0.291 51 G HA3 0.510 4.471 3.960 0.001 0.000 0.291 51 G C -2.489 172.494 174.900 0.139 0.000 1.334 51 G CA -0.613 44.584 45.100 0.162 0.000 0.843 51 G HN 0.277 nan 8.290 nan 0.000 0.548 52 P HA -0.086 nan 4.420 nan 0.000 0.217 52 P C 1.777 179.113 177.300 0.061 0.000 1.151 52 P CA 2.294 65.458 63.100 0.108 0.000 0.849 52 P CB 0.195 31.942 31.700 0.078 0.000 0.787 53 A N -1.090 121.761 122.820 0.051 0.000 2.235 53 A HA 0.032 4.353 4.320 0.001 0.000 0.208 53 A C 1.548 179.149 177.584 0.028 0.000 1.172 53 A CA 1.441 53.495 52.037 0.027 0.000 0.786 53 A CB -0.687 18.325 19.000 0.020 0.000 0.804 53 A HN 0.308 nan 8.150 nan 0.000 0.479 54 S N -2.513 113.212 115.700 0.041 0.000 2.911 54 S HA 0.208 4.679 4.470 0.001 0.000 0.261 54 S C 1.041 175.659 174.600 0.030 0.000 1.021 54 S CA -0.384 57.838 58.200 0.037 0.000 1.222 54 S CB -0.227 63.001 63.200 0.046 0.000 1.171 54 S HN 0.472 nan 8.310 nan 0.000 0.669 55 R N 2.027 122.540 120.500 0.021 0.000 2.285 55 R HA 0.134 4.475 4.340 0.001 0.000 0.213 55 R C 0.911 177.201 176.300 -0.016 0.000 1.068 55 R CA 0.666 56.759 56.100 -0.012 0.000 1.004 55 R CB -0.091 30.174 30.300 -0.059 0.000 0.873 55 R HN 0.445 nan 8.270 nan 0.000 0.467 56 S N 0.300 115.999 115.700 -0.002 0.000 2.533 56 S HA 0.017 4.488 4.470 0.001 0.000 0.282 56 S C 1.585 176.188 174.600 0.006 0.000 1.304 56 S CA -0.572 57.627 58.200 -0.002 0.000 1.063 56 S CB 1.258 64.460 63.200 0.002 0.000 0.881 56 S HN -0.028 nan 8.310 nan 0.000 0.493 57 V N 5.268 125.182 119.914 0.000 0.000 2.469 57 V HA -0.153 3.968 4.120 0.001 0.000 0.251 57 V C 2.343 178.443 176.094 0.010 0.000 1.064 57 V CA 2.287 64.590 62.300 0.006 0.000 1.066 57 V CB -0.886 30.933 31.823 -0.007 0.000 0.667 57 V HN 0.903 nan 8.190 nan 0.000 0.461 58 E N -0.331 119.871 120.200 0.004 0.000 2.047 58 E HA -0.153 4.198 4.350 0.001 0.000 0.191 58 E C 2.266 178.881 176.600 0.025 0.000 0.987 58 E CA 1.206 57.610 56.400 0.006 0.000 0.799 58 E CB -0.147 29.553 29.700 -0.000 0.000 0.752 58 E HN 0.446 nan 8.360 nan 0.000 0.449 59 I N 1.185 121.769 120.570 0.024 0.000 2.546 59 I HA -0.169 4.002 4.170 0.001 0.000 0.255 59 I C 1.802 177.948 176.117 0.047 0.000 1.163 59 I CA 0.775 62.094 61.300 0.032 0.000 1.457 59 I CB -0.027 37.986 38.000 0.022 0.000 1.092 59 I HN 0.139 nan 8.210 nan 0.000 0.434 60 L N 0.929 122.183 121.223 0.050 0.000 2.201 60 L HA -0.142 4.199 4.340 0.001 0.000 0.212 60 L C 2.387 179.326 176.870 0.115 0.000 1.105 60 L CA 1.585 56.465 54.840 0.067 0.000 0.775 60 L CB -0.848 41.246 42.059 0.057 0.000 0.913 60 L HN 0.168 nan 8.230 nan 0.000 0.440 61 K N -1.011 119.470 120.400 0.135 0.000 2.076 61 K HA -0.084 4.236 4.320 0.001 0.000 0.204 61 K C 1.867 178.608 176.600 0.235 0.000 1.051 61 K CA 0.682 57.127 56.287 0.264 0.000 0.949 61 K CB 0.021 32.605 32.500 0.139 0.000 0.726 61 K HN 0.163 nan 8.250 nan 0.000 0.443 62 E N 0.765 121.044 120.200 0.131 0.000 2.110 62 E HA -0.139 4.211 4.350 0.001 0.000 0.193 62 E C 1.971 178.610 176.600 0.064 0.000 0.988 62 E CA 1.147 57.602 56.400 0.091 0.000 0.804 62 E CB -0.020 29.716 29.700 0.061 0.000 0.745 62 E HN 0.343 nan 8.360 nan 0.000 0.458 63 M N -0.245 119.391 119.600 0.060 0.000 2.200 63 M HA -0.060 4.421 4.480 0.001 0.000 0.265 63 M C 2.455 178.763 176.300 0.013 0.000 1.066 63 M CA 0.968 56.290 55.300 0.037 0.000 1.127 63 M CB -0.417 32.207 32.600 0.040 0.000 1.379 63 M HN 0.062 nan 8.290 nan 0.000 0.420 64 I N 0.557 121.142 120.570 0.025 0.000 2.252 64 I HA -0.281 3.890 4.170 0.001 0.000 0.245 64 I C 2.146 178.192 176.117 -0.120 0.000 1.102 64 I CA 1.401 62.666 61.300 -0.059 0.000 1.385 64 I CB -0.241 37.726 38.000 -0.054 0.000 1.064 64 I HN 0.256 nan 8.210 nan 0.000 0.414 65 K N 0.114 120.478 120.400 -0.060 0.000 2.362 65 K HA -0.032 4.288 4.320 0.001 0.000 0.200 65 K C 1.666 178.230 176.600 -0.059 0.000 1.046 65 K CA 0.955 57.203 56.287 -0.065 0.000 0.952 65 K CB -0.039 32.485 32.500 0.039 0.000 0.753 65 K HN 0.144 nan 8.250 nan 0.000 0.466 66 S N -0.483 115.189 115.700 -0.046 0.000 2.577 66 S HA 0.149 4.620 4.470 0.001 0.000 0.219 66 S C 0.967 175.523 174.600 -0.073 0.000 0.962 66 S CA 0.389 58.546 58.200 -0.071 0.000 0.921 66 S CB 0.903 64.087 63.200 -0.028 0.000 0.789 66 S HN 0.571 nan 8.310 nan 0.000 0.497 67 G N 1.896 110.671 108.800 -0.041 0.000 2.159 67 G HA2 -0.233 3.728 3.960 0.001 0.000 0.227 67 G HA3 -0.233 3.728 3.960 0.001 0.000 0.227 67 G C 0.066 174.971 174.900 0.007 0.000 0.986 67 G CA -0.021 45.093 45.100 0.023 0.000 0.651 67 G HN 0.465 nan 8.290 nan 0.000 0.523 68 M N 0.631 120.216 119.600 -0.025 0.000 2.239 68 M HA 0.302 4.783 4.480 0.001 0.000 0.348 68 M C 0.761 176.990 176.300 -0.119 0.000 1.239 68 M CA 0.475 55.751 55.300 -0.039 0.000 1.114 68 M CB 0.229 32.816 32.600 -0.022 0.000 1.641 68 M HN 0.139 nan 8.290 nan 0.000 0.453 69 N N 3.138 121.731 118.700 -0.179 0.000 2.503 69 N HA 0.181 4.922 4.740 0.001 0.000 0.210 69 N C -0.770 174.480 175.510 -0.434 0.000 1.077 69 N CA 0.403 53.182 53.050 -0.453 0.000 0.855 69 N CB 0.912 39.064 38.487 -0.558 0.000 1.323 69 N HN 0.463 nan 8.380 nan 0.000 0.452 70 V N 1.305 121.105 119.914 -0.189 0.000 2.531 70 V HA 0.659 4.779 4.120 0.001 0.000 0.301 70 V C -0.604 175.479 176.094 -0.018 0.000 1.034 70 V CA -1.168 61.087 62.300 -0.075 0.000 0.865 70 V CB 1.600 33.434 31.823 0.018 0.000 0.995 70 V HN 0.178 nan 8.190 nan 0.000 0.424 71 A N 5.170 127.981 122.820 -0.016 0.000 2.289 71 A HA 0.753 5.074 4.320 0.001 0.000 0.298 71 A C -0.035 177.551 177.584 0.004 0.000 1.208 71 A CA -0.469 51.575 52.037 0.011 0.000 0.845 71 A CB 0.494 19.504 19.000 0.017 0.000 1.125 71 A HN 0.829 nan 8.150 nan 0.000 0.517 72 R N 2.627 123.153 120.500 0.043 0.000 2.532 72 R HA 0.650 4.991 4.340 0.001 0.000 0.295 72 R C -1.528 174.810 176.300 0.063 0.000 0.968 72 R CA -0.578 55.544 56.100 0.037 0.000 0.916 72 R CB 0.790 31.188 30.300 0.162 0.000 1.124 72 R HN 0.717 nan 8.270 nan 0.000 0.463 73 L N 4.542 125.798 121.223 0.056 0.000 2.353 73 L HA 0.323 4.663 4.340 0.001 0.000 0.270 73 L C -0.118 176.814 176.870 0.104 0.000 1.003 73 L CA -0.549 54.327 54.840 0.060 0.000 0.862 73 L CB 1.419 43.539 42.059 0.102 0.000 1.221 73 L HN 0.653 nan 8.230 nan 0.000 0.430 74 N N 2.737 121.472 118.700 0.057 0.000 2.405 74 N HA 0.092 4.832 4.740 0.001 0.000 0.260 74 N C 0.088 175.593 175.510 -0.008 0.000 1.152 74 N CA -0.377 52.722 53.050 0.081 0.000 0.948 74 N CB 0.525 39.048 38.487 0.060 0.000 1.111 74 N HN 0.419 nan 8.380 nan 0.000 0.485 75 F N 2.108 122.015 119.950 -0.072 0.000 2.725 75 F HA 0.107 4.634 4.527 0.001 0.000 0.303 75 F C 2.049 177.855 175.800 0.010 0.000 1.167 75 F CA -0.043 57.945 58.000 -0.021 0.000 1.403 75 F CB 0.155 39.140 39.000 -0.026 0.000 1.077 75 F HN 0.495 nan 8.300 nan 0.000 0.537 76 S N -1.633 114.062 115.700 -0.009 0.000 2.387 76 S HA -0.044 4.427 4.470 0.001 0.000 0.226 76 S C 0.470 174.980 174.600 -0.149 0.000 1.026 76 S CA 0.827 58.933 58.200 -0.156 0.000 0.972 76 S CB -0.260 62.664 63.200 -0.460 0.000 0.814 76 S HN 0.429 nan 8.310 nan 0.000 0.477 77 H N -0.964 118.146 119.070 0.066 0.000 2.710 77 H HA 0.606 5.162 4.556 0.001 0.000 0.361 77 H C 0.434 175.741 175.328 -0.035 0.000 1.175 77 H CA -0.401 55.646 56.048 -0.003 0.000 1.206 77 H CB 1.420 31.162 29.762 -0.034 0.000 1.750 77 H HN 0.342 nan 8.280 nan 0.000 0.553 78 G N 0.228 108.991 108.800 -0.061 0.000 2.712 78 G HA2 -0.151 3.810 3.960 0.001 0.000 0.686 78 G HA3 -0.151 3.810 3.960 0.001 0.000 0.686 78 G C -0.373 174.375 174.900 -0.253 0.000 1.321 78 G CA -0.308 44.570 45.100 -0.371 0.000 0.813 78 G HN 0.674 nan 8.290 nan 0.000 0.599 79 T N -0.514 113.864 114.554 -0.293 0.000 2.902 79 T HA 0.536 4.887 4.350 0.001 0.000 0.283 79 T C 1.677 176.332 174.700 -0.075 0.000 1.009 79 T CA 0.085 62.105 62.100 -0.134 0.000 1.051 79 T CB 0.758 69.575 68.868 -0.085 0.000 0.999 79 T HN 0.602 nan 8.240 nan 0.000 0.474 80 H N 1.839 120.807 119.070 -0.170 0.000 2.431 80 H HA -0.064 4.493 4.556 0.001 0.000 0.297 80 H C 2.049 177.329 175.328 -0.079 0.000 1.115 80 H CA 2.050 57.892 56.048 -0.344 0.000 1.277 80 H CB 0.131 29.632 29.762 -0.433 0.000 1.372 80 H HN 0.755 nan 8.280 nan 0.000 0.516 81 E N -0.543 119.735 120.200 0.130 0.000 2.072 81 E HA -0.199 4.152 4.350 0.001 0.000 0.191 81 E C 1.915 178.583 176.600 0.113 0.000 0.985 81 E CA 0.689 57.174 56.400 0.141 0.000 0.801 81 E CB -0.136 29.622 29.700 0.098 0.000 0.750 81 E HN 0.531 nan 8.360 nan 0.000 0.452 82 Y N 0.658 120.889 120.300 -0.115 0.000 2.200 82 Y HA -0.243 4.308 4.550 0.001 0.000 0.290 82 Y C 2.280 178.077 175.900 -0.172 0.000 1.137 82 Y CA 1.997 59.983 58.100 -0.191 0.000 1.163 82 Y CB -0.125 38.129 38.460 -0.343 0.000 0.988 82 Y HN 0.177 nan 8.280 nan 0.000 0.518 83 H N -0.476 118.694 119.070 0.167 0.000 2.357 83 H HA -0.036 4.521 4.556 0.001 0.000 0.301 83 H C 2.395 177.861 175.328 0.231 0.000 1.082 83 H CA 1.143 57.268 56.048 0.129 0.000 1.342 83 H CB -0.905 28.883 29.762 0.043 0.000 1.389 83 H HN 0.498 nan 8.280 nan 0.000 0.511 84 A N 1.114 124.223 122.820 0.483 0.000 1.908 84 A HA -0.209 4.112 4.320 0.001 0.000 0.218 84 A C 2.332 180.003 177.584 0.144 0.000 1.181 84 A CA 1.823 54.080 52.037 0.366 0.000 0.627 84 A CB -0.434 18.788 19.000 0.370 0.000 0.818 84 A HN 0.446 nan 8.150 nan 0.000 0.445 85 E N -0.926 119.310 120.200 0.060 0.000 2.208 85 E HA -0.117 4.234 4.350 0.001 0.000 0.193 85 E C 1.838 178.400 176.600 -0.063 0.000 0.988 85 E CA 1.373 57.756 56.400 -0.027 0.000 0.828 85 E CB -0.037 29.612 29.700 -0.086 0.000 0.763 85 E HN 0.635 nan 8.360 nan 0.000 0.478 86 T N 1.116 115.624 114.554 -0.077 0.000 2.770 86 T HA -0.081 4.270 4.350 0.001 0.000 0.263 86 T C 1.955 176.671 174.700 0.028 0.000 1.039 86 T CA 0.893 62.960 62.100 -0.055 0.000 1.142 86 T CB -0.142 68.721 68.868 -0.008 0.000 0.868 86 T HN 0.147 nan 8.240 nan 0.000 0.435 87 I N 1.082 121.701 120.570 0.083 0.000 2.208 87 I HA -0.204 3.966 4.170 0.001 0.000 0.245 87 I C 2.743 178.882 176.117 0.038 0.000 1.097 87 I CA 1.207 62.548 61.300 0.069 0.000 1.363 87 I CB -0.318 37.726 38.000 0.074 0.000 1.051 87 I HN 0.139 nan 8.210 nan 0.000 0.413 88 K N 1.233 121.652 120.400 0.031 0.000 1.991 88 K HA -0.229 4.092 4.320 0.001 0.000 0.212 88 K C 1.839 178.448 176.600 0.015 0.000 1.049 88 K CA 1.959 58.257 56.287 0.018 0.000 0.932 88 K CB -0.329 32.178 32.500 0.013 0.000 0.717 88 K HN 0.294 nan 8.250 nan 0.000 0.441 89 N N 0.863 119.566 118.700 0.004 0.000 2.069 89 N HA -0.148 4.593 4.740 0.001 0.000 0.191 89 N C 1.999 177.524 175.510 0.026 0.000 1.031 89 N CA 1.177 54.230 53.050 0.005 0.000 0.852 89 N CB -0.680 37.800 38.487 -0.013 0.000 1.018 89 N HN -0.001 nan 8.380 nan 0.000 0.423 90 V N 1.829 121.762 119.914 0.032 0.000 2.282 90 V HA -0.246 3.874 4.120 0.001 0.000 0.249 90 V C 2.352 178.484 176.094 0.065 0.000 1.057 90 V CA 1.677 64.006 62.300 0.048 0.000 1.032 90 V CB -0.348 31.501 31.823 0.044 0.000 0.645 90 V HN 0.326 nan 8.190 nan 0.000 0.447 91 R N -0.251 120.283 120.500 0.057 0.000 2.092 91 R HA -0.058 4.282 4.340 0.001 0.000 0.231 91 R C 2.435 178.781 176.300 0.077 0.000 1.119 91 R CA 1.280 57.423 56.100 0.071 0.000 0.970 91 R CB -0.586 29.744 30.300 0.050 0.000 0.864 91 R HN 0.540 nan 8.270 nan 0.000 0.440 92 A N 1.601 124.451 122.820 0.050 0.000 1.883 92 A HA -0.172 4.149 4.320 0.001 0.000 0.217 92 A C 2.402 180.013 177.584 0.045 0.000 1.186 92 A CA 1.915 53.973 52.037 0.035 0.000 0.624 92 A CB -0.691 18.317 19.000 0.013 0.000 0.822 92 A HN 0.399 nan 8.150 nan 0.000 0.444 93 A N -1.352 121.507 122.820 0.065 0.000 1.898 93 A HA -0.033 4.288 4.320 0.001 0.000 0.216 93 A C 2.303 180.035 177.584 0.246 0.000 1.181 93 A CA 2.186 54.281 52.037 0.097 0.000 0.620 93 A CB -1.260 17.812 19.000 0.119 0.000 0.819 93 A HN 0.430 nan 8.150 nan 0.000 0.442 94 T N -0.129 114.572 114.554 0.245 0.000 2.720 94 T HA -0.127 4.223 4.350 0.001 0.000 0.268 94 T C 1.758 176.742 174.700 0.474 0.000 1.037 94 T CA 1.804 64.097 62.100 0.321 0.000 1.144 94 T CB -0.236 68.749 68.868 0.194 0.000 0.864 94 T HN 0.433 nan 8.240 nan 0.000 0.444 95 E N 1.084 121.476 120.200 0.321 0.000 2.418 95 E HA -0.001 4.350 4.350 0.001 0.000 0.197 95 E C 2.316 179.012 176.600 0.160 0.000 1.026 95 E CA 0.382 56.940 56.400 0.263 0.000 0.862 95 E CB -0.321 29.459 29.700 0.133 0.000 0.799 95 E HN 0.612 nan 8.360 nan 0.000 0.518 96 S N -0.939 114.798 115.700 0.061 0.000 2.507 96 S HA -0.075 4.396 4.470 0.001 0.000 0.235 96 S C 1.339 175.842 174.600 -0.162 0.000 0.988 96 S CA 0.448 58.559 58.200 -0.148 0.000 0.944 96 S CB -0.353 62.629 63.200 -0.364 0.000 0.762 96 S HN 0.215 nan 8.310 nan 0.000 0.526 97 F N 0.980 121.017 119.950 0.145 0.000 2.704 97 F HA 0.562 5.089 4.527 0.001 0.000 0.304 97 F C 2.372 178.308 175.800 0.227 0.000 1.094 97 F CA -0.157 57.945 58.000 0.171 0.000 1.275 97 F CB -0.337 38.771 39.000 0.180 0.000 1.073 97 F HN 0.233 nan 8.300 nan 0.000 0.586 98 A N 0.052 123.091 122.820 0.365 0.000 2.139 98 A HA -0.203 4.118 4.320 0.001 0.000 0.221 98 A C 2.281 179.848 177.584 -0.028 0.000 1.159 98 A CA 2.062 54.084 52.037 -0.024 0.000 0.662 98 A CB -0.894 18.019 19.000 -0.145 0.000 0.796 98 A HN 0.335 nan 8.150 nan 0.000 0.463 99 S N -0.228 115.507 115.700 0.059 0.000 2.353 99 S HA -0.126 4.345 4.470 0.001 0.000 0.222 99 S C 0.946 175.575 174.600 0.048 0.000 1.035 99 S CA 1.208 59.429 58.200 0.035 0.000 1.025 99 S CB -0.270 62.953 63.200 0.038 0.000 0.902 99 S HN 0.690 nan 8.310 nan 0.000 0.440 100 D N 1.875 122.336 120.400 0.101 0.000 2.428 100 D HA 0.238 4.878 4.640 0.001 0.000 0.221 100 D C -1.607 174.767 176.300 0.122 0.000 1.123 100 D CA -2.530 51.526 54.000 0.095 0.000 0.869 100 D CB 1.274 42.137 40.800 0.104 0.000 1.032 100 D HN 0.048 nan 8.370 nan 0.000 0.506 101 P HA -0.126 nan 4.420 nan 0.000 0.221 101 P C 1.576 178.951 177.300 0.124 0.000 1.145 101 P CA 0.712 63.866 63.100 0.091 0.000 0.795 101 P CB 0.544 32.264 31.700 0.033 0.000 0.775 102 I N -0.630 119.994 120.570 0.090 0.000 2.761 102 I HA -0.051 4.119 4.170 0.001 0.000 0.261 102 I C 2.285 178.452 176.117 0.082 0.000 1.198 102 I CA 0.827 62.169 61.300 0.071 0.000 1.482 102 I CB -0.186 37.832 38.000 0.030 0.000 1.100 102 I HN -0.146 nan 8.210 nan 0.000 0.445 103 R N -0.797 119.767 120.500 0.106 0.000 2.472 103 R HA 0.108 4.449 4.340 0.001 0.000 0.279 103 R C -0.168 176.192 176.300 0.101 0.000 0.953 103 R CA -0.279 55.875 56.100 0.089 0.000 1.088 103 R CB 0.312 30.664 30.300 0.086 0.000 1.197 103 R HN 0.122 nan 8.270 nan 0.000 0.536 104 Y N 2.143 122.457 120.300 0.024 0.000 2.377 104 Y HA 0.182 4.733 4.550 0.001 0.000 0.330 104 Y C -0.347 175.517 175.900 -0.061 0.000 1.108 104 Y CA -0.415 57.693 58.100 0.014 0.000 1.308 104 Y CB 0.525 39.018 38.460 0.054 0.000 1.216 104 Y HN -0.199 nan 8.280 nan 0.000 0.518 105 R N 7.973 127.990 120.500 -0.805 0.000 2.388 105 R HA 0.329 4.670 4.340 0.001 0.000 0.314 105 R C -2.723 173.094 176.300 -0.805 0.000 0.959 105 R CA -2.044 53.649 56.100 -0.678 0.000 0.851 105 R CB 1.310 31.341 30.300 -0.447 0.000 1.168 105 R HN 0.531 nan 8.270 nan 0.000 0.472 106 P HA 0.073 nan 4.420 nan 0.000 0.271 106 P C -0.497 176.790 177.300 -0.023 0.000 1.216 106 P CA -0.193 62.730 63.100 -0.294 0.000 0.771 106 P CB 1.251 32.898 31.700 -0.088 0.000 0.864 107 V N 2.907 122.808 119.914 -0.020 0.000 2.448 107 V HA 0.530 4.651 4.120 0.001 0.000 0.295 107 V C 0.642 176.758 176.094 0.037 0.000 1.025 107 V CA -0.814 61.465 62.300 -0.036 0.000 0.859 107 V CB 1.395 33.185 31.823 -0.055 0.000 0.988 107 V HN 0.748 nan 8.190 nan 0.000 0.431 108 A N 4.593 127.440 122.820 0.044 0.000 2.304 108 A HA 0.797 5.117 4.320 0.001 0.000 0.271 108 A C -0.467 177.119 177.584 0.005 0.000 1.091 108 A CA -0.396 51.682 52.037 0.068 0.000 0.812 108 A CB 1.008 20.082 19.000 0.125 0.000 1.056 108 A HN 0.689 nan 8.150 nan 0.000 0.489 109 V N 0.500 120.406 119.914 -0.013 0.000 2.487 109 V HA 0.664 4.785 4.120 0.001 0.000 0.298 109 V C 0.167 176.184 176.094 -0.129 0.000 1.028 109 V CA -0.096 62.177 62.300 -0.044 0.000 0.860 109 V CB 1.386 33.200 31.823 -0.014 0.000 0.991 109 V HN 1.251 nan 8.190 nan 0.000 0.427 110 A N 4.941 127.629 122.820 -0.220 0.000 2.356 110 A HA 0.809 5.130 4.320 0.001 0.000 0.310 110 A C -0.987 176.367 177.584 -0.383 0.000 1.075 110 A CA -0.531 51.212 52.037 -0.491 0.000 0.746 110 A CB 1.291 19.645 19.000 -1.077 0.000 1.221 110 A HN 0.913 nan 8.150 nan 0.000 0.443 111 L N 2.669 123.685 121.223 -0.346 0.000 2.268 111 L HA 0.329 4.670 4.340 0.001 0.000 0.289 111 L C -0.689 176.081 176.870 -0.167 0.000 1.064 111 L CA -0.432 54.279 54.840 -0.215 0.000 0.824 111 L CB 0.499 42.362 42.059 -0.327 0.000 1.202 111 L HN 0.681 nan 8.230 nan 0.000 0.433 112 D N 3.866 124.279 120.400 0.023 0.000 2.411 112 D HA 0.091 4.732 4.640 0.001 0.000 0.225 112 D C 0.043 176.441 176.300 0.163 0.000 1.156 112 D CA -0.061 54.036 54.000 0.161 0.000 0.874 112 D CB 1.013 41.959 40.800 0.243 0.000 1.034 112 D HN 0.421 nan 8.370 nan 0.000 0.502 113 T N 2.950 117.563 114.554 0.098 0.000 2.906 113 T HA -0.045 4.306 4.350 0.001 0.000 0.320 113 T C 0.302 175.091 174.700 0.149 0.000 1.088 113 T CA 0.119 62.273 62.100 0.090 0.000 1.120 113 T CB 0.491 69.394 68.868 0.059 0.000 1.000 113 T HN 0.244 nan 8.240 nan 0.000 0.550 114 K N 2.399 122.895 120.400 0.160 0.000 2.264 114 K HA 0.416 4.737 4.320 0.001 0.000 0.277 114 K C 0.561 177.259 176.600 0.164 0.000 1.067 114 K CA -0.560 55.820 56.287 0.155 0.000 0.900 114 K CB 0.418 32.999 32.500 0.135 0.000 1.124 114 K HN 0.744 nan 8.250 nan 0.000 0.469 115 G N 3.629 112.595 108.800 0.276 0.000 2.582 115 G HA2 0.192 4.153 3.960 0.001 0.000 0.232 115 G HA3 0.192 4.153 3.960 0.001 0.000 0.232 115 G C -2.346 172.509 174.900 -0.075 0.000 1.458 115 G CA -0.982 44.275 45.100 0.261 0.000 1.062 115 G HN 0.459 nan 8.290 nan 0.000 0.566 116 P HA 0.186 nan 4.420 nan 0.000 0.249 116 P C -0.567 176.308 177.300 -0.708 0.000 1.737 116 P CA 0.379 63.183 63.100 -0.494 0.000 1.128 116 P CB 0.118 31.505 31.700 -0.522 0.000 1.942 117 E N 2.211 122.194 120.200 -0.363 0.000 2.174 117 E HA 0.334 4.685 4.350 0.001 0.000 0.282 117 E C -0.178 176.329 176.600 -0.155 0.000 0.992 117 E CA -0.674 55.594 56.400 -0.220 0.000 0.803 117 E CB 1.027 30.716 29.700 -0.018 0.000 1.090 117 E HN 0.293 nan 8.360 nan 0.000 0.396 118 I N 4.146 124.627 120.570 -0.149 0.000 2.359 118 I HA 0.408 4.579 4.170 0.001 0.000 0.294 118 I C 0.181 176.284 176.117 -0.023 0.000 0.987 118 I CA -0.508 60.731 61.300 -0.101 0.000 1.225 118 I CB 1.120 39.046 38.000 -0.123 0.000 1.366 118 I HN 0.281 nan 8.210 nan 0.000 0.466 119 R N 3.212 123.711 120.500 -0.001 0.000 2.771 119 R HA 0.512 4.853 4.340 0.001 0.000 0.274 119 R C -0.769 175.565 176.300 0.057 0.000 0.987 119 R CA -0.957 55.177 56.100 0.056 0.000 0.908 119 R CB 2.181 32.547 30.300 0.111 0.000 1.213 119 R HN 0.470 nan 8.270 nan 0.000 0.468 120 T N 0.670 115.284 114.554 0.100 0.000 2.855 120 T HA 0.136 4.487 4.350 0.001 0.000 0.314 120 T C 0.842 175.735 174.700 0.321 0.000 1.077 120 T CA 0.181 62.370 62.100 0.149 0.000 1.095 120 T CB 0.828 69.770 68.868 0.124 0.000 0.987 120 T HN 0.676 nan 8.240 nan 0.000 0.546 121 G N 0.833 109.934 108.800 0.502 0.000 2.494 121 G HA2 0.456 4.417 3.960 0.001 0.000 0.270 121 G HA3 0.456 4.417 3.960 0.001 0.000 0.270 121 G C -0.671 174.367 174.900 0.230 0.000 1.423 121 G CA -0.593 44.855 45.100 0.581 0.000 1.055 121 G HN 0.527 nan 8.290 nan 0.000 0.536 122 L N 0.131 121.412 121.223 0.096 0.000 2.334 122 L HA 0.432 4.773 4.340 0.001 0.000 0.277 122 L C 0.146 177.044 176.870 0.047 0.000 1.075 122 L CA -0.402 54.464 54.840 0.042 0.000 0.804 122 L CB 1.225 43.272 42.059 -0.020 0.000 1.174 122 L HN 0.326 nan 8.230 nan 0.000 0.438 123 I N 4.946 125.540 120.570 0.041 0.000 2.268 123 I HA 0.048 4.219 4.170 0.001 0.000 0.290 123 I C 1.026 177.155 176.117 0.019 0.000 1.125 123 I CA -0.328 60.995 61.300 0.039 0.000 1.236 123 I CB 0.391 38.414 38.000 0.039 0.000 1.469 123 I HN 0.545 nan 8.210 nan 0.000 0.512 124 K N 4.389 124.797 120.400 0.013 0.000 2.555 124 K HA -0.000 4.321 4.320 0.001 0.000 0.193 124 K C 1.279 177.883 176.600 0.006 0.000 1.032 124 K CA 0.214 56.501 56.287 -0.001 0.000 1.004 124 K CB -0.173 32.319 32.500 -0.014 0.000 0.804 124 K HN 0.576 nan 8.250 nan 0.000 0.496 125 G N 0.857 109.667 108.800 0.017 0.000 3.090 125 G HA2 -0.017 3.944 3.960 0.001 0.000 0.259 125 G HA3 -0.017 3.944 3.960 0.001 0.000 0.259 125 G C 0.759 175.666 174.900 0.011 0.000 0.797 125 G CA 0.221 45.331 45.100 0.017 0.000 2.032 125 G HN 0.368 nan 8.290 nan 0.000 0.614 126 S N 0.009 115.712 115.700 0.005 0.000 2.423 126 S HA -0.057 4.414 4.470 0.001 0.000 0.231 126 S C 2.394 176.996 174.600 0.002 0.000 1.014 126 S CA 0.927 59.128 58.200 0.002 0.000 0.965 126 S CB -0.087 63.111 63.200 -0.003 0.000 0.785 126 S HN 0.431 nan 8.310 nan 0.000 0.495 127 G N 1.962 110.764 108.800 0.003 0.000 2.422 127 G HA2 -0.025 3.936 3.960 0.001 0.000 0.218 127 G HA3 -0.025 3.936 3.960 0.001 0.000 0.218 127 G C 0.643 175.545 174.900 0.005 0.000 1.146 127 G CA 0.909 46.010 45.100 0.003 0.000 0.769 127 G HN 0.563 nan 8.290 nan 0.000 0.547 128 T N 1.920 116.479 114.554 0.007 0.000 2.751 128 T HA 0.419 4.770 4.350 0.001 0.000 0.279 128 T C 1.643 176.348 174.700 0.008 0.000 0.941 128 T CA 0.185 62.291 62.100 0.009 0.000 1.192 128 T CB 1.449 70.324 68.868 0.012 0.000 0.883 128 T HN 0.299 nan 8.240 nan 0.000 0.534 129 A N 4.170 126.995 122.820 0.007 0.000 1.873 129 A HA -0.091 4.230 4.320 0.001 0.000 0.218 129 A C 0.872 178.461 177.584 0.009 0.000 1.193 129 A CA 1.091 53.133 52.037 0.007 0.000 0.629 129 A CB -0.128 18.876 19.000 0.007 0.000 0.826 129 A HN 0.836 nan 8.150 nan 0.000 0.447 130 E N -1.305 118.902 120.200 0.011 0.000 2.274 130 E HA 0.404 4.755 4.350 0.001 0.000 0.269 130 E C -1.131 175.477 176.600 0.014 0.000 0.891 130 E CA -0.552 55.855 56.400 0.013 0.000 0.784 130 E CB 2.249 31.957 29.700 0.012 0.000 1.225 130 E HN -0.035 nan 8.360 nan 0.000 0.412 131 V N 2.281 122.205 119.914 0.017 0.000 2.670 131 V HA -0.019 4.102 4.120 0.001 0.000 0.344 131 V C 0.466 176.570 176.094 0.017 0.000 1.648 131 V CA 0.101 62.413 62.300 0.018 0.000 1.673 131 V CB -1.366 30.471 31.823 0.024 0.000 1.382 131 V HN 0.628 nan 8.190 nan 0.000 0.503 132 E N 1.967 122.175 120.200 0.015 0.000 2.729 132 E HA -0.002 4.349 4.350 0.001 0.000 0.246 132 E C -0.542 176.064 176.600 0.011 0.000 0.984 132 E CA 0.163 56.571 56.400 0.013 0.000 0.951 132 E CB 0.193 29.899 29.700 0.011 0.000 0.914 132 E HN 0.329 nan 8.360 nan 0.000 0.509 133 L N 5.065 126.294 121.223 0.011 0.000 2.312 133 L HA 0.420 4.761 4.340 0.001 0.000 0.281 133 L C 0.333 177.206 176.870 0.004 0.000 1.070 133 L CA 0.026 54.870 54.840 0.007 0.000 0.805 133 L CB 1.334 43.396 42.059 0.005 0.000 1.174 133 L HN 0.525 nan 8.230 nan 0.000 0.434 134 K N 2.403 122.804 120.400 0.002 0.000 2.259 134 K HA 0.430 4.751 4.320 0.001 0.000 0.249 134 K C -0.525 176.074 176.600 -0.002 0.000 0.942 134 K CA -1.029 55.259 56.287 0.001 0.000 0.816 134 K CB 1.755 34.256 32.500 0.003 0.000 1.155 134 K HN 0.389 nan 8.250 nan 0.000 0.428 135 K N 0.411 120.810 120.400 -0.002 0.000 2.518 135 K HA -0.086 4.235 4.320 0.001 0.000 0.276 135 K C 0.996 177.593 176.600 -0.005 0.000 0.974 135 K CA 1.309 57.593 56.287 -0.005 0.000 0.986 135 K CB 0.248 32.747 32.500 -0.002 0.000 0.901 135 K HN 0.961 nan 8.250 nan 0.000 0.497 136 G N 0.868 109.663 108.800 -0.009 0.000 2.302 136 G HA2 -0.384 3.577 3.960 0.001 0.000 0.263 136 G HA3 -0.384 3.577 3.960 0.001 0.000 0.263 136 G C 0.477 175.373 174.900 -0.007 0.000 0.995 136 G CA 0.523 45.619 45.100 -0.008 0.000 0.622 136 G HN 0.927 nan 8.290 nan 0.000 0.538 137 A N -0.518 122.299 122.820 -0.006 0.000 2.387 137 A HA 0.625 4.946 4.320 0.001 0.000 0.251 137 A C 0.835 178.415 177.584 -0.007 0.000 1.113 137 A CA 1.696 53.731 52.037 -0.005 0.000 0.794 137 A CB 0.195 19.193 19.000 -0.003 0.000 1.069 137 A HN 1.569 nan 8.150 nan 0.000 0.506 138 T N -1.260 113.291 114.554 -0.004 0.000 2.932 138 T HA 0.590 4.941 4.350 0.001 0.000 0.289 138 T C -1.228 173.469 174.700 -0.004 0.000 1.039 138 T CA -0.445 61.653 62.100 -0.004 0.000 1.024 138 T CB 0.840 69.708 68.868 0.001 0.000 1.090 138 T HN 1.478 nan 8.240 nan 0.000 0.496 139 L N 3.337 124.558 121.223 -0.004 0.000 2.641 139 L HA 0.564 4.904 4.340 0.001 0.000 0.261 139 L C -1.569 175.300 176.870 -0.001 0.000 0.926 139 L CA -0.705 54.131 54.840 -0.006 0.000 0.917 139 L CB 1.890 43.945 42.059 -0.008 0.000 1.361 139 L HN 0.656 nan 8.230 nan 0.000 0.417 140 K N 5.384 125.780 120.400 -0.007 0.000 2.130 140 K HA 0.614 4.935 4.320 0.001 0.000 0.268 140 K C -0.773 175.822 176.600 -0.007 0.000 0.983 140 K CA -0.444 55.850 56.287 0.012 0.000 0.893 140 K CB 1.938 34.431 32.500 -0.011 0.000 1.066 140 K HN 0.678 nan 8.250 nan 0.000 0.450 141 I N 2.144 122.728 120.570 0.024 0.000 2.355 141 I HA 0.143 4.313 4.170 0.001 0.000 0.288 141 I C -0.085 176.043 176.117 0.017 0.000 0.999 141 I CA -0.585 60.714 61.300 -0.003 0.000 1.163 141 I CB 1.860 39.846 38.000 -0.023 0.000 1.316 141 I HN 0.658 nan 8.210 nan 0.000 0.454 142 T N 3.497 118.040 114.554 -0.018 0.000 2.855 142 T HA 0.439 4.790 4.350 0.001 0.000 0.281 142 T C 0.411 175.140 174.700 0.048 0.000 1.007 142 T CA -0.748 61.364 62.100 0.020 0.000 1.009 142 T CB 2.402 71.200 68.868 -0.118 0.000 0.983 142 T HN 0.222 nan 8.240 nan 0.000 0.455 143 L N 0.907 122.175 121.223 0.075 0.000 2.477 143 L HA 0.285 4.626 4.340 0.001 0.000 0.220 143 L C 1.036 178.103 176.870 0.328 0.000 1.106 143 L CA 0.594 55.459 54.840 0.043 0.000 0.851 143 L CB -0.701 41.356 42.059 -0.004 0.000 0.994 143 L HN 0.819 nan 8.230 nan 0.000 0.462 144 D N 1.826 122.440 120.400 0.357 0.000 2.402 144 D HA -0.103 4.538 4.640 0.001 0.000 0.268 144 D C 0.260 176.870 176.300 0.516 0.000 1.294 144 D CA 0.060 54.296 54.000 0.394 0.000 0.945 144 D CB 0.189 41.255 40.800 0.444 0.000 1.112 144 D HN 0.225 nan 8.370 nan 0.000 0.517 145 N N 3.113 122.027 118.700 0.358 0.000 3.124 145 N HA 0.197 4.937 4.740 0.001 0.000 0.284 145 N C -0.102 175.353 175.510 -0.092 0.000 1.209 145 N CA -0.494 52.616 53.050 0.100 0.000 1.149 145 N CB 0.966 39.495 38.487 0.070 0.000 1.434 145 N HN 0.272 nan 8.380 nan 0.000 0.529 146 A N 0.475 123.230 122.820 -0.109 0.000 2.066 146 A HA 0.152 4.473 4.320 0.001 0.000 0.198 146 A C 0.400 177.775 177.584 -0.347 0.000 1.405 146 A CA -0.142 51.717 52.037 -0.297 0.000 0.973 146 A CB -0.126 18.604 19.000 -0.450 0.000 1.026 146 A HN 0.329 nan 8.150 nan 0.000 0.474 147 Y N -0.338 119.910 120.300 -0.087 0.000 2.461 147 Y HA 0.258 4.809 4.550 0.001 0.000 0.277 147 Y C 1.910 177.709 175.900 -0.169 0.000 1.182 147 Y CA 0.277 58.343 58.100 -0.056 0.000 1.276 147 Y CB -0.571 37.924 38.460 0.059 0.000 1.087 147 Y HN 0.377 nan 8.280 nan 0.000 0.519 148 M N 1.128 120.494 119.600 -0.389 0.000 2.192 148 M HA -0.264 4.217 4.480 0.001 0.000 0.259 148 M C 2.031 178.028 176.300 -0.504 0.000 1.071 148 M CA 2.326 56.971 55.300 -1.091 0.000 1.082 148 M CB 0.140 31.945 32.600 -1.325 0.000 1.373 148 M HN 0.381 nan 8.290 nan 0.000 0.408 149 E N -0.895 119.149 120.200 -0.260 0.000 2.514 149 E HA -0.004 4.347 4.350 0.001 0.000 0.215 149 E C 0.177 176.753 176.600 -0.040 0.000 0.946 149 E CA 0.096 56.415 56.400 -0.135 0.000 1.038 149 E CB 0.162 29.779 29.700 -0.139 0.000 1.069 149 E HN 0.335 nan 8.360 nan 0.000 0.503 150 K N 1.559 121.958 120.400 -0.003 0.000 2.862 150 K HA 0.213 4.534 4.320 0.001 0.000 0.229 150 K C -0.190 176.477 176.600 0.111 0.000 1.107 150 K CA -0.222 56.096 56.287 0.052 0.000 1.222 150 K CB -0.738 31.796 32.500 0.056 0.000 1.067 150 K HN 0.117 nan 8.250 nan 0.000 0.464 151 C N 2.745 122.108 119.300 0.106 0.000 2.657 151 C HA 0.118 4.579 4.460 0.001 0.000 0.420 151 C C 0.862 175.902 174.990 0.083 0.000 1.323 151 C CA -0.196 58.895 59.018 0.122 0.000 1.894 151 C CB -0.400 27.421 27.740 0.136 0.000 2.681 151 C HN 0.691 nan 8.230 nan 0.000 0.613 152 D N 1.599 122.042 120.400 0.072 0.000 2.713 152 D HA 0.054 4.695 4.640 0.001 0.000 0.306 152 D C 0.583 176.906 176.300 0.037 0.000 1.299 152 D CA -0.456 53.574 54.000 0.049 0.000 0.823 152 D CB 0.387 41.215 40.800 0.046 0.000 1.353 152 D HN 0.599 nan 8.370 nan 0.000 0.447 153 E N 0.761 120.977 120.200 0.027 0.000 2.219 153 E HA -0.238 4.113 4.350 0.001 0.000 0.198 153 E C 0.552 177.159 176.600 0.012 0.000 0.998 153 E CA 1.514 57.925 56.400 0.018 0.000 0.818 153 E CB -0.465 29.244 29.700 0.015 0.000 0.741 153 E HN 0.457 nan 8.360 nan 0.000 0.477 154 N N -0.219 118.488 118.700 0.012 0.000 2.432 154 N HA 0.060 4.801 4.740 0.001 0.000 0.174 154 N C -0.517 174.983 175.510 -0.017 0.000 1.037 154 N CA 0.471 53.521 53.050 0.000 0.000 0.892 154 N CB 1.061 39.550 38.487 0.002 0.000 1.049 154 N HN -0.078 nan 8.380 nan 0.000 0.442 155 V N 1.717 121.624 119.914 -0.012 0.000 2.577 155 V HA 0.401 4.522 4.120 0.001 0.000 0.303 155 V C -1.158 174.939 176.094 0.006 0.000 1.042 155 V CA -0.796 61.469 62.300 -0.058 0.000 0.872 155 V CB 2.527 34.265 31.823 -0.140 0.000 0.998 155 V HN 0.030 nan 8.190 nan 0.000 0.423 156 L N 4.754 125.984 121.223 0.011 0.000 2.376 156 L HA 0.593 4.934 4.340 0.001 0.000 0.275 156 L C -1.320 175.624 176.870 0.124 0.000 0.987 156 L CA -0.184 54.703 54.840 0.079 0.000 0.828 156 L CB 1.782 43.869 42.059 0.046 0.000 1.249 156 L HN 0.961 nan 8.230 nan 0.000 0.409 157 W N 7.424 128.735 121.300 0.018 0.000 2.516 157 W HA 0.624 5.285 4.660 0.001 0.000 0.343 157 W C -1.258 175.291 176.519 0.050 0.000 1.094 157 W CA -0.456 56.913 57.345 0.042 0.000 1.250 157 W CB 1.264 30.779 29.460 0.090 0.000 1.308 157 W HN 0.378 nan 8.180 nan 0.000 0.588 158 L N 1.959 122.524 121.223 -1.097 0.000 2.409 158 L HA 0.586 4.927 4.340 0.001 0.000 0.255 158 L C 0.270 176.258 176.870 -1.470 0.000 1.027 158 L CA -0.782 53.439 54.840 -1.032 0.000 0.834 158 L CB 0.967 42.795 42.059 -0.385 0.000 1.426 158 L HN 0.395 nan 8.230 nan 0.000 0.411 159 D N -0.399 119.555 120.400 -0.743 0.000 2.095 159 D HA -0.174 4.466 4.640 0.001 0.000 0.192 159 D C 0.332 176.540 176.300 -0.154 0.000 0.990 159 D CA 2.125 55.920 54.000 -0.342 0.000 0.836 159 D CB -0.337 40.412 40.800 -0.085 0.000 0.979 159 D HN 0.594 nan 8.370 nan 0.000 0.447 160 Y N 2.672 122.831 120.300 -0.234 0.000 2.854 160 Y HA -0.110 4.441 4.550 0.001 0.000 0.372 160 Y C 1.100 176.907 175.900 -0.154 0.000 1.330 160 Y CA -0.338 57.666 58.100 -0.161 0.000 1.765 160 Y CB -0.114 38.261 38.460 -0.141 0.000 1.277 160 Y HN -0.163 nan 8.280 nan 0.000 0.498 161 K N 3.266 123.615 120.400 -0.085 0.000 2.442 161 K HA -0.110 4.211 4.320 0.001 0.000 0.198 161 K C 0.545 176.955 176.600 -0.316 0.000 1.042 161 K CA 0.736 56.923 56.287 -0.167 0.000 0.958 161 K CB 0.053 32.526 32.500 -0.044 0.000 0.766 161 K HN 0.705 nan 8.250 nan 0.000 0.474 162 N N 0.813 119.136 118.700 -0.629 0.000 2.321 162 N HA 0.109 4.850 4.740 0.001 0.000 0.242 162 N C 1.097 176.048 175.510 -0.931 0.000 1.141 162 N CA -0.100 52.570 53.050 -0.634 0.000 0.864 162 N CB 0.371 38.613 38.487 -0.407 0.000 1.100 162 N HN 0.098 nan 8.380 nan 0.000 0.510 163 I N -0.240 119.750 120.570 -0.967 0.000 2.315 163 I HA -0.251 3.920 4.170 0.001 0.000 0.248 163 I C 1.834 177.781 176.117 -0.284 0.000 1.117 163 I CA 1.090 62.028 61.300 -0.604 0.000 1.404 163 I CB 0.094 37.924 38.000 -0.283 0.000 1.071 163 I HN 0.251 nan 8.210 nan 0.000 0.419 164 C N 1.150 120.297 119.300 -0.255 0.000 2.435 164 C HA -0.115 4.346 4.460 0.001 0.000 0.279 164 C C 2.561 177.458 174.990 -0.155 0.000 1.321 164 C CA 0.847 59.753 59.018 -0.186 0.000 1.752 164 C CB -1.053 26.578 27.740 -0.183 0.000 1.959 164 C HN 0.464 nan 8.230 nan 0.000 0.500 165 K N 0.258 120.559 120.400 -0.165 0.000 2.155 165 K HA -0.040 4.280 4.320 0.001 0.000 0.203 165 K C 1.761 178.314 176.600 -0.079 0.000 1.052 165 K CA 1.006 57.225 56.287 -0.113 0.000 0.948 165 K CB -0.090 32.344 32.500 -0.110 0.000 0.728 165 K HN 0.372 nan 8.250 nan 0.000 0.448 166 V N 1.620 121.484 119.914 -0.082 0.000 2.535 166 V HA -0.067 4.054 4.120 0.001 0.000 0.246 166 V C 1.164 177.254 176.094 -0.006 0.000 1.045 166 V CA 0.529 62.823 62.300 -0.011 0.000 1.058 166 V CB 0.006 31.876 31.823 0.078 0.000 0.689 166 V HN 0.123 nan 8.190 nan 0.000 0.461 167 V N -0.685 119.211 119.914 -0.030 0.000 2.743 167 V HA 0.616 4.737 4.120 0.001 0.000 0.301 167 V C -0.408 175.660 176.094 -0.042 0.000 1.057 167 V CA -0.711 61.573 62.300 -0.026 0.000 1.006 167 V CB 1.567 33.371 31.823 -0.032 0.000 1.024 167 V HN 0.289 nan 8.190 nan 0.000 0.473 168 E N 1.844 122.025 120.200 -0.031 0.000 2.212 168 E HA 0.510 4.861 4.350 0.001 0.000 0.270 168 E C -0.675 175.901 176.600 -0.041 0.000 0.956 168 E CA -0.716 55.662 56.400 -0.036 0.000 0.825 168 E CB 1.957 31.643 29.700 -0.024 0.000 1.167 168 E HN 0.804 nan 8.360 nan 0.000 0.400 169 V N 2.792 122.678 119.914 -0.046 0.000 2.446 169 V HA 0.432 4.552 4.120 0.001 0.000 0.276 169 V C 0.885 176.960 176.094 -0.032 0.000 1.030 169 V CA 1.921 64.194 62.300 -0.046 0.000 1.033 169 V CB -0.317 31.476 31.823 -0.049 0.000 0.993 169 V HN 0.856 nan 8.190 nan 0.000 0.477 170 G N 3.963 112.746 108.800 -0.029 0.000 2.421 170 G HA2 -0.179 3.782 3.960 0.001 0.000 0.188 170 G HA3 -0.179 3.782 3.960 0.001 0.000 0.188 170 G C 0.463 175.355 174.900 -0.014 0.000 1.001 170 G CA 0.106 45.194 45.100 -0.020 0.000 0.693 170 G HN 0.921 nan 8.290 nan 0.000 0.479 171 S N 0.729 116.420 115.700 -0.014 0.000 2.596 171 S HA 0.525 4.996 4.470 0.001 0.000 0.260 171 S C 0.292 174.886 174.600 -0.010 0.000 1.336 171 S CA 0.217 58.417 58.200 0.001 0.000 0.993 171 S CB 1.013 64.216 63.200 0.005 0.000 0.923 171 S HN 0.442 nan 8.310 nan 0.000 0.567 172 K N 0.694 121.104 120.400 0.016 0.000 2.259 172 K HA 0.633 4.953 4.320 0.001 0.000 0.252 172 K C -1.455 175.116 176.600 -0.049 0.000 0.936 172 K CA -0.652 55.599 56.287 -0.059 0.000 0.810 172 K CB 1.835 34.312 32.500 -0.038 0.000 1.143 172 K HN 0.250 nan 8.250 nan 0.000 0.427 173 V N 3.234 123.024 119.914 -0.208 0.000 2.495 173 V HA 0.341 4.462 4.120 0.001 0.000 0.298 173 V C -1.346 174.564 176.094 -0.307 0.000 1.031 173 V CA -0.852 61.382 62.300 -0.109 0.000 0.871 173 V CB 1.001 32.785 31.823 -0.066 0.000 0.988 173 V HN 0.595 nan 8.190 nan 0.000 0.432 174 Y N 3.274 123.582 120.300 0.014 0.000 2.328 174 Y HA 0.681 5.232 4.550 0.001 0.000 0.337 174 Y C 0.073 175.988 175.900 0.024 0.000 0.966 174 Y CA -0.712 57.400 58.100 0.019 0.000 1.136 174 Y CB 1.930 40.404 38.460 0.022 0.000 1.170 174 Y HN 0.388 nan 8.280 nan 0.000 0.470 175 V N 1.676 121.658 119.914 0.114 0.000 2.919 175 V HA 0.351 4.472 4.120 0.001 0.000 0.316 175 V C -0.299 175.855 176.094 0.100 0.000 1.077 175 V CA -1.274 61.080 62.300 0.090 0.000 0.977 175 V CB 1.774 33.625 31.823 0.047 0.000 1.039 175 V HN 0.778 nan 8.190 nan 0.000 0.441 176 D N 2.018 122.473 120.400 0.092 0.000 2.812 176 D HA -0.202 4.439 4.640 0.001 0.000 0.237 176 D C 0.103 176.460 176.300 0.094 0.000 1.162 176 D CA 1.217 55.269 54.000 0.086 0.000 0.740 176 D CB -1.319 39.522 40.800 0.069 0.000 1.000 176 D HN 0.960 nan 8.370 nan 0.000 0.416 177 D N -0.282 120.179 120.400 0.101 0.000 2.737 177 D HA -0.092 4.549 4.640 0.001 0.000 0.238 177 D C 1.307 177.672 176.300 0.109 0.000 1.157 177 D CA 2.074 56.129 54.000 0.091 0.000 0.694 177 D CB -1.087 39.756 40.800 0.071 0.000 1.021 177 D HN 0.830 nan 8.370 nan 0.000 0.420 178 G N -0.699 108.206 108.800 0.175 0.000 2.219 178 G HA2 -0.399 3.562 3.960 0.001 0.000 0.271 178 G HA3 -0.399 3.562 3.960 0.001 0.000 0.271 178 G C 1.179 176.250 174.900 0.285 0.000 0.991 178 G CA 0.596 45.885 45.100 0.314 0.000 0.685 178 G HN 0.463 nan 8.290 nan 0.000 0.531 179 L N -0.235 121.083 121.223 0.158 0.000 2.131 179 L HA 0.256 4.597 4.340 0.001 0.000 0.210 179 L C 1.844 178.771 176.870 0.094 0.000 1.092 179 L CA 1.104 56.011 54.840 0.111 0.000 0.759 179 L CB -0.464 41.640 42.059 0.076 0.000 0.903 179 L HN 0.443 nan 8.230 nan 0.000 0.435 180 I N -0.940 119.677 120.570 0.079 0.000 2.354 180 I HA 0.164 4.335 4.170 0.001 0.000 0.292 180 I C 0.204 176.264 176.117 -0.094 0.000 0.989 180 I CA -0.166 61.139 61.300 0.008 0.000 1.188 180 I CB 1.661 39.663 38.000 0.004 0.000 1.342 180 I HN -0.099 nan 8.210 nan 0.000 0.457 181 S N 6.952 122.542 115.700 -0.183 0.000 2.482 181 S HA 0.715 5.186 4.470 0.001 0.000 0.303 181 S C -0.996 173.434 174.600 -0.282 0.000 1.091 181 S CA -0.563 57.366 58.200 -0.452 0.000 1.057 181 S CB 0.872 63.821 63.200 -0.419 0.000 1.031 181 S HN 0.323 nan 8.310 nan 0.000 0.485 182 L N 4.237 125.275 121.223 -0.308 0.000 2.365 182 L HA 0.596 4.937 4.340 0.001 0.000 0.273 182 L C -0.434 176.345 176.870 -0.151 0.000 1.000 182 L CA -0.464 54.273 54.840 -0.171 0.000 0.819 182 L CB 1.478 43.462 42.059 -0.125 0.000 1.284 182 L HN 0.705 nan 8.230 nan 0.000 0.418 183 L N 3.047 124.212 121.223 -0.096 0.000 2.275 183 L HA 0.435 4.775 4.340 0.001 0.000 0.288 183 L C -0.278 176.560 176.870 -0.054 0.000 1.046 183 L CA -0.672 54.127 54.840 -0.069 0.000 0.805 183 L CB 1.622 43.653 42.059 -0.048 0.000 1.193 183 L HN 0.283 nan 8.230 nan 0.000 0.426 184 V N 6.754 126.638 119.914 -0.050 0.000 2.341 184 V HA 0.031 4.152 4.120 0.001 0.000 0.248 184 V C 1.166 177.236 176.094 -0.040 0.000 1.107 184 V CA 0.107 62.379 62.300 -0.047 0.000 1.069 184 V CB 0.150 31.942 31.823 -0.050 0.000 1.177 184 V HN 0.795 nan 8.190 nan 0.000 0.492 185 K N 3.127 123.507 120.400 -0.033 0.000 2.076 185 K HA 0.072 4.393 4.320 0.001 0.000 0.204 185 K C 0.760 177.344 176.600 -0.027 0.000 1.051 185 K CA 0.721 56.994 56.287 -0.024 0.000 0.949 185 K CB 0.734 33.226 32.500 -0.013 0.000 0.726 185 K HN 0.711 nan 8.250 nan 0.000 0.443 186 E N 0.568 120.748 120.200 -0.034 0.000 2.383 186 E HA 0.236 4.587 4.350 0.001 0.000 0.275 186 E C -1.679 174.849 176.600 -0.119 0.000 0.918 186 E CA -0.668 55.702 56.400 -0.049 0.000 0.764 186 E CB 2.180 31.879 29.700 -0.002 0.000 1.252 186 E HN -0.149 nan 8.360 nan 0.000 0.449 187 K N 2.166 122.458 120.400 -0.181 0.000 2.426 187 K HA 0.560 4.881 4.320 0.001 0.000 0.254 187 K C -0.751 175.555 176.600 -0.491 0.000 0.936 187 K CA -0.573 55.528 56.287 -0.310 0.000 0.801 187 K CB 1.654 34.029 32.500 -0.209 0.000 1.139 187 K HN 0.591 nan 8.250 nan 0.000 0.424 188 G N 1.151 109.341 108.800 -1.017 0.000 2.705 188 G HA2 0.493 4.454 3.960 0.001 0.000 0.299 188 G HA3 0.493 4.454 3.960 0.001 0.000 0.299 188 G C 0.552 175.071 174.900 -0.635 0.000 1.315 188 G CA -0.269 44.032 45.100 -1.332 0.000 1.045 188 G HN 0.663 nan 8.290 nan 0.000 0.517 189 A N -0.617 122.054 122.820 -0.249 0.000 1.969 189 A HA 0.081 4.402 4.320 0.001 0.000 0.218 189 A C 1.367 178.923 177.584 -0.047 0.000 1.169 189 A CA 2.144 54.136 52.037 -0.075 0.000 0.635 189 A CB -0.115 18.910 19.000 0.041 0.000 0.810 189 A HN 0.688 nan 8.150 nan 0.000 0.445 190 D N -2.486 117.945 120.400 0.053 0.000 2.740 190 D HA 0.283 4.924 4.640 0.001 0.000 0.305 190 D C -0.272 176.147 176.300 0.199 0.000 1.583 190 D CA -0.265 53.796 54.000 0.100 0.000 0.790 190 D CB -0.580 40.310 40.800 0.150 0.000 1.187 190 D HN 0.406 nan 8.370 nan 0.000 0.447 191 F N -1.168 118.751 119.950 -0.053 0.000 2.741 191 F HA 0.724 5.252 4.527 0.001 0.000 0.313 191 F C -2.469 173.294 175.800 -0.063 0.000 1.153 191 F CA -1.399 56.562 58.000 -0.065 0.000 0.931 191 F CB 1.015 39.978 39.000 -0.062 0.000 1.335 191 F HN -0.266 nan 8.300 nan 0.000 0.460 192 L N 2.672 123.872 121.223 -0.039 0.000 2.439 192 L HA 0.486 4.826 4.340 0.001 0.000 0.270 192 L C -0.772 176.121 176.870 0.039 0.000 0.972 192 L CA -0.942 53.825 54.840 -0.122 0.000 0.836 192 L CB 1.607 43.608 42.059 -0.097 0.000 1.255 192 L HN 0.657 nan 8.230 nan 0.000 0.404 193 V N 2.907 122.851 119.914 0.049 0.000 2.387 193 V HA 0.390 4.511 4.120 0.001 0.000 0.260 193 V C 0.915 177.019 176.094 0.016 0.000 1.054 193 V CA -0.238 62.112 62.300 0.083 0.000 0.967 193 V CB 0.759 32.646 31.823 0.107 0.000 1.036 193 V HN 0.937 nan 8.190 nan 0.000 0.481 194 T N 1.705 116.262 114.554 0.005 0.000 2.937 194 T HA 0.633 4.984 4.350 0.001 0.000 0.283 194 T C -0.537 174.154 174.700 -0.016 0.000 1.012 194 T CA -0.774 61.315 62.100 -0.018 0.000 0.997 194 T CB 2.439 71.287 68.868 -0.034 0.000 1.136 194 T HN 0.621 nan 8.240 nan 0.000 0.551 195 E N 0.690 120.873 120.200 -0.028 0.000 2.234 195 E HA 0.420 4.771 4.350 0.001 0.000 0.266 195 E C -1.107 175.471 176.600 -0.037 0.000 0.877 195 E CA -0.905 55.480 56.400 -0.025 0.000 0.758 195 E CB 2.199 31.886 29.700 -0.022 0.000 1.170 195 E HN 0.559 nan 8.360 nan 0.000 0.415 196 V N 5.475 125.370 119.914 -0.031 0.000 2.400 196 V HA -0.020 4.100 4.120 0.001 0.000 0.263 196 V C 1.262 177.334 176.094 -0.037 0.000 1.026 196 V CA 0.645 62.923 62.300 -0.036 0.000 1.077 196 V CB 0.296 32.106 31.823 -0.022 0.000 1.054 196 V HN 0.777 nan 8.190 nan 0.000 0.477 197 E N 2.993 123.160 120.200 -0.055 0.000 2.076 197 E HA -0.037 4.313 4.350 0.001 0.000 0.190 197 E C 0.382 176.963 176.600 -0.033 0.000 0.979 197 E CA 0.658 57.030 56.400 -0.046 0.000 0.807 197 E CB 0.188 29.849 29.700 -0.066 0.000 0.761 197 E HN 0.586 nan 8.360 nan 0.000 0.454 198 N N 0.407 119.082 118.700 -0.041 0.000 2.564 198 N HA 0.203 4.944 4.740 0.001 0.000 0.248 198 N C -0.706 174.796 175.510 -0.013 0.000 0.986 198 N CA -0.051 52.988 53.050 -0.018 0.000 0.921 198 N CB 1.635 40.117 38.487 -0.009 0.000 1.136 198 N HN 0.029 nan 8.380 nan 0.000 0.509 199 G N 0.130 108.927 108.800 -0.005 0.000 2.527 199 G HA2 0.566 4.527 3.960 0.001 0.000 0.248 199 G HA3 0.566 4.527 3.960 0.001 0.000 0.248 199 G C 0.152 175.056 174.900 0.007 0.000 1.231 199 G CA -0.043 45.057 45.100 -0.000 0.000 0.838 199 G HN 0.585 nan 8.290 nan 0.000 0.570 200 G N -1.060 107.746 108.800 0.009 0.000 2.340 200 G HA2 0.406 4.367 3.960 0.001 0.000 0.300 200 G HA3 0.406 4.367 3.960 0.001 0.000 0.300 200 G C -0.702 174.208 174.900 0.017 0.000 1.488 200 G CA -0.619 44.490 45.100 0.015 0.000 0.878 200 G HN 0.807 nan 8.290 nan 0.000 0.618 201 S N -0.294 115.418 115.700 0.019 0.000 2.505 201 S HA 0.455 4.925 4.470 0.001 0.000 0.276 201 S C 0.038 174.653 174.600 0.025 0.000 1.274 201 S CA -0.231 57.981 58.200 0.021 0.000 1.053 201 S CB 0.975 64.186 63.200 0.020 0.000 0.919 201 S HN 0.729 nan 8.310 nan 0.000 0.490 202 L N 4.256 125.495 121.223 0.027 0.000 2.309 202 L HA 0.787 5.128 4.340 0.001 0.000 0.282 202 L C 0.531 177.423 176.870 0.036 0.000 1.036 202 L CA 0.136 54.996 54.840 0.034 0.000 0.806 202 L CB 1.000 43.080 42.059 0.034 0.000 1.220 202 L HN 0.673 nan 8.230 nan 0.000 0.429 203 G N 2.065 110.889 108.800 0.040 0.000 2.795 203 G HA2 0.547 4.508 3.960 0.001 0.000 0.267 203 G HA3 0.547 4.508 3.960 0.001 0.000 0.267 203 G C -0.958 173.972 174.900 0.050 0.000 1.362 203 G CA -0.591 44.532 45.100 0.038 0.000 1.048 203 G HN 0.628 nan 8.290 nan 0.000 0.547 204 S N 0.134 115.861 115.700 0.045 0.000 2.632 204 S HA 0.370 4.841 4.470 0.001 0.000 0.271 204 S C 0.149 174.791 174.600 0.071 0.000 1.260 204 S CA -0.538 57.699 58.200 0.061 0.000 1.010 204 S CB 1.191 64.416 63.200 0.042 0.000 0.965 204 S HN 0.568 nan 8.310 nan 0.000 0.534 205 K N -0.604 119.861 120.400 0.107 0.000 3.048 205 K HA -0.148 4.173 4.320 0.001 0.000 0.274 205 K C -0.512 176.160 176.600 0.120 0.000 1.098 205 K CA 0.807 57.169 56.287 0.126 0.000 0.807 205 K CB -1.375 31.187 32.500 0.103 0.000 1.217 205 K HN 0.402 nan 8.250 nan 0.000 0.477 206 K N 0.763 121.225 120.400 0.103 0.000 2.319 206 K HA 0.161 4.482 4.320 0.001 0.000 0.265 206 K C 1.119 177.780 176.600 0.103 0.000 1.000 206 K CA 0.451 56.797 56.287 0.099 0.000 0.943 206 K CB 0.320 32.869 32.500 0.081 0.000 0.950 206 K HN 0.289 nan 8.250 nan 0.000 0.485 207 G N 0.218 109.082 108.800 0.108 0.000 2.415 207 G HA2 0.429 4.390 3.960 0.001 0.000 0.269 207 G HA3 0.429 4.390 3.960 0.001 0.000 0.269 207 G C -0.736 174.217 174.900 0.088 0.000 1.209 207 G CA -0.521 44.638 45.100 0.098 0.000 0.835 207 G HN 0.230 nan 8.290 nan 0.000 0.534 208 V N 2.360 122.313 119.914 0.065 0.000 2.513 208 V HA 0.371 4.492 4.120 0.001 0.000 0.299 208 V C -0.432 175.704 176.094 0.070 0.000 1.035 208 V CA -0.977 61.364 62.300 0.069 0.000 0.889 208 V CB 1.829 33.672 31.823 0.034 0.000 0.988 208 V HN 0.783 nan 8.190 nan 0.000 0.440 209 N N 3.796 122.572 118.700 0.126 0.000 2.314 209 N HA 0.642 5.382 4.740 0.001 0.000 0.294 209 N C -1.216 174.389 175.510 0.159 0.000 1.029 209 N CA -0.576 52.543 53.050 0.115 0.000 0.845 209 N CB 1.958 40.505 38.487 0.100 0.000 1.321 209 N HN 0.406 nan 8.380 nan 0.000 0.481 210 L N 3.287 124.566 121.223 0.093 0.000 2.599 210 L HA 0.388 4.729 4.340 0.001 0.000 0.241 210 L C -2.180 174.737 176.870 0.079 0.000 1.207 210 L CA -2.106 52.798 54.840 0.107 0.000 0.987 210 L CB -0.003 42.104 42.059 0.080 0.000 1.318 210 L HN 0.434 nan 8.230 nan 0.000 0.458 211 P HA 0.130 nan 4.420 nan 0.000 0.263 211 P C 0.971 178.286 177.300 0.024 0.000 1.195 211 P CA 0.818 63.931 63.100 0.021 0.000 0.762 211 P CB 0.991 32.671 31.700 -0.034 0.000 0.799 212 G N 1.839 110.635 108.800 -0.008 0.000 2.176 212 G HA2 -0.157 3.804 3.960 0.001 0.000 0.253 212 G HA3 -0.157 3.804 3.960 0.001 0.000 0.253 212 G C 0.307 175.209 174.900 0.003 0.000 0.979 212 G CA 0.108 45.197 45.100 -0.018 0.000 0.641 212 G HN 0.907 nan 8.290 nan 0.000 0.530 213 A N -0.054 122.780 122.820 0.023 0.000 2.303 213 A HA 0.895 5.215 4.320 0.001 0.000 0.317 213 A C 0.580 178.186 177.584 0.037 0.000 1.149 213 A CA 0.650 52.711 52.037 0.039 0.000 0.822 213 A CB 1.247 20.287 19.000 0.067 0.000 1.131 213 A HN 1.952 nan 8.150 nan 0.000 0.493 214 A N 2.401 125.250 122.820 0.047 0.000 2.774 214 A HA 0.516 4.837 4.320 0.001 0.000 0.326 214 A C -0.125 177.504 177.584 0.075 0.000 1.478 214 A CA -0.330 51.734 52.037 0.045 0.000 1.099 214 A CB -0.629 18.393 19.000 0.038 0.000 1.148 214 A HN 0.833 nan 8.150 nan 0.000 0.519 215 V N 3.439 123.370 119.914 0.028 0.000 2.446 215 V HA 0.023 4.144 4.120 0.001 0.000 0.276 215 V C 0.803 176.892 176.094 -0.009 0.000 1.030 215 V CA 0.410 62.692 62.300 -0.031 0.000 1.033 215 V CB 0.597 32.247 31.823 -0.288 0.000 0.993 215 V HN 0.935 nan 8.190 nan 0.000 0.477 216 D N 4.066 124.528 120.400 0.103 0.000 2.319 216 D HA 0.036 4.676 4.640 0.001 0.000 0.230 216 D C 0.474 176.794 176.300 0.034 0.000 1.094 216 D CA -0.130 53.912 54.000 0.071 0.000 0.856 216 D CB -0.035 40.826 40.800 0.102 0.000 0.915 216 D HN 0.443 nan 8.370 nan 0.000 0.517 217 L N 1.330 122.524 121.223 -0.049 0.000 2.467 217 L HA 0.216 4.556 4.340 0.001 0.000 0.270 217 L C -1.638 175.192 176.870 -0.066 0.000 1.205 217 L CA -1.376 53.415 54.840 -0.082 0.000 0.828 217 L CB 0.064 41.982 42.059 -0.234 0.000 1.101 217 L HN -0.036 nan 8.230 nan 0.000 0.479 218 P HA 0.155 nan 4.420 nan 0.000 0.281 218 P C -0.179 177.109 177.300 -0.020 0.000 1.249 218 P CA -0.484 62.606 63.100 -0.016 0.000 0.810 218 P CB 1.568 33.270 31.700 0.003 0.000 1.008 219 A N 2.833 125.655 122.820 0.004 0.000 1.873 219 A HA 0.024 4.345 4.320 0.001 0.000 0.215 219 A C 0.968 178.572 177.584 0.033 0.000 1.186 219 A CA 1.358 53.411 52.037 0.026 0.000 0.616 219 A CB -0.673 18.348 19.000 0.036 0.000 0.823 219 A HN 0.424 nan 8.150 nan 0.000 0.442 220 V N 1.505 121.435 119.914 0.028 0.000 2.326 220 V HA 0.395 4.516 4.120 0.001 0.000 0.281 220 V C 0.307 176.418 176.094 0.028 0.000 1.015 220 V CA -0.152 62.166 62.300 0.031 0.000 0.823 220 V CB 0.765 32.607 31.823 0.031 0.000 1.009 220 V HN 0.587 nan 8.190 nan 0.000 0.436 221 S N 3.304 119.022 115.700 0.030 0.000 2.666 221 S HA 0.411 4.882 4.470 0.001 0.000 0.279 221 S C 0.924 175.547 174.600 0.039 0.000 1.149 221 S CA -0.358 57.860 58.200 0.030 0.000 1.020 221 S CB 1.385 64.601 63.200 0.028 0.000 1.127 221 S HN 0.526 nan 8.310 nan 0.000 0.537 222 E N 0.687 120.911 120.200 0.040 0.000 2.072 222 E HA -0.108 4.243 4.350 0.001 0.000 0.191 222 E C 1.923 178.556 176.600 0.054 0.000 0.985 222 E CA 1.116 57.543 56.400 0.044 0.000 0.801 222 E CB -0.432 29.292 29.700 0.040 0.000 0.750 222 E HN 0.744 nan 8.360 nan 0.000 0.452 223 K N 0.685 121.118 120.400 0.056 0.000 2.032 223 K HA -0.188 4.132 4.320 0.001 0.000 0.209 223 K C 1.605 178.258 176.600 0.089 0.000 1.048 223 K CA 1.849 58.179 56.287 0.071 0.000 0.927 223 K CB -0.028 32.516 32.500 0.073 0.000 0.712 223 K HN -0.041 nan 8.250 nan 0.000 0.441 224 D N 0.924 121.366 120.400 0.071 0.000 2.116 224 D HA -0.195 4.446 4.640 0.001 0.000 0.193 224 D C 1.953 178.282 176.300 0.048 0.000 0.998 224 D CA 1.337 55.371 54.000 0.057 0.000 0.836 224 D CB -0.239 40.589 40.800 0.046 0.000 0.951 224 D HN 0.342 nan 8.370 nan 0.000 0.449 225 I N 0.675 121.277 120.570 0.053 0.000 2.423 225 I HA -0.278 3.893 4.170 0.001 0.000 0.254 225 I C 2.265 178.426 176.117 0.075 0.000 1.151 225 I CA 1.120 62.452 61.300 0.052 0.000 1.421 225 I CB -0.167 37.862 38.000 0.049 0.000 1.079 225 I HN 0.057 nan 8.210 nan 0.000 0.431 226 Q N 0.111 119.976 119.800 0.107 0.000 2.123 226 Q HA -0.137 4.204 4.340 0.001 0.000 0.196 226 Q C 1.699 177.846 176.000 0.245 0.000 0.958 226 Q CA 1.044 56.956 55.803 0.181 0.000 0.841 226 Q CB 0.017 28.865 28.738 0.183 0.000 0.915 226 Q HN 0.396 nan 8.270 nan 0.000 0.455 227 D N 1.031 121.541 120.400 0.183 0.000 2.117 227 D HA -0.125 4.515 4.640 0.001 0.000 0.197 227 D C 1.862 178.084 176.300 -0.130 0.000 0.987 227 D CA 0.974 54.988 54.000 0.023 0.000 0.829 227 D CB -0.087 40.688 40.800 -0.043 0.000 0.961 227 D HN 0.148 nan 8.370 nan 0.000 0.460 228 L N 0.403 121.583 121.223 -0.072 0.000 2.056 228 L HA -0.125 4.215 4.340 0.001 0.000 0.207 228 L C 2.283 179.140 176.870 -0.023 0.000 1.078 228 L CA 1.121 55.916 54.840 -0.076 0.000 0.749 228 L CB -0.227 41.808 42.059 -0.040 0.000 0.901 228 L HN -0.031 nan 8.230 nan 0.000 0.433 229 K N -0.614 119.807 120.400 0.035 0.000 2.209 229 K HA -0.193 4.128 4.320 0.001 0.000 0.204 229 K C 2.019 178.661 176.600 0.070 0.000 1.048 229 K CA 1.364 57.682 56.287 0.051 0.000 0.940 229 K CB -0.167 32.379 32.500 0.076 0.000 0.729 229 K HN 0.172 nan 8.250 nan 0.000 0.451 230 F N 1.070 120.963 119.950 -0.095 0.000 2.206 230 F HA -0.013 4.515 4.527 0.001 0.000 0.298 230 F C 1.992 177.698 175.800 -0.156 0.000 1.090 230 F CA 1.283 59.193 58.000 -0.151 0.000 1.323 230 F CB -0.376 38.381 39.000 -0.405 0.000 1.028 230 F HN -0.054 nan 8.300 nan 0.000 0.492 231 G N 0.416 109.195 108.800 -0.035 0.000 2.421 231 G HA2 -0.229 3.732 3.960 0.001 0.000 0.216 231 G HA3 -0.229 3.732 3.960 0.001 0.000 0.216 231 G C 1.685 176.490 174.900 -0.158 0.000 1.171 231 G CA 1.304 46.318 45.100 -0.144 0.000 0.775 231 G HN 0.324 nan 8.290 nan 0.000 0.543 232 V N 0.887 120.736 119.914 -0.107 0.000 2.343 232 V HA -0.200 3.921 4.120 0.001 0.000 0.247 232 V C 2.593 178.622 176.094 -0.110 0.000 1.051 232 V CA 2.276 64.526 62.300 -0.084 0.000 1.036 232 V CB -0.461 31.334 31.823 -0.047 0.000 0.654 232 V HN 0.596 nan 8.190 nan 0.000 0.451 233 E N -0.028 120.086 120.200 -0.142 0.000 2.077 233 E HA -0.249 4.101 4.350 0.001 0.000 0.193 233 E C 2.029 178.484 176.600 -0.243 0.000 0.989 233 E CA 1.214 57.514 56.400 -0.168 0.000 0.800 233 E CB -0.035 29.567 29.700 -0.164 0.000 0.746 233 E HN 0.560 nan 8.360 nan 0.000 0.452 234 Q N 0.626 120.192 119.800 -0.390 0.000 2.444 234 Q HA -0.043 4.297 4.340 0.001 0.000 0.206 234 Q C -0.166 175.717 176.000 -0.195 0.000 0.948 234 Q CA 0.446 56.028 55.803 -0.369 0.000 0.946 234 Q CB 0.044 28.431 28.738 -0.585 0.000 1.027 234 Q HN 0.339 nan 8.270 nan 0.000 0.513 235 D N 0.901 121.210 120.400 -0.152 0.000 2.927 235 D HA -0.141 4.499 4.640 0.001 0.000 0.236 235 D C -0.316 175.942 176.300 -0.070 0.000 1.163 235 D CA 0.409 54.356 54.000 -0.088 0.000 0.801 235 D CB -0.900 39.864 40.800 -0.061 0.000 0.975 235 D HN 0.115 nan 8.370 nan 0.000 0.413 236 V N -0.987 118.876 119.914 -0.085 0.000 2.953 236 V HA 0.376 4.497 4.120 0.001 0.000 0.304 236 V C 1.400 177.464 176.094 -0.050 0.000 1.073 236 V CA -0.106 62.151 62.300 -0.073 0.000 1.064 236 V CB 1.641 33.402 31.823 -0.103 0.000 1.047 236 V HN 0.072 nan 8.190 nan 0.000 0.478 237 D N 2.299 122.674 120.400 -0.041 0.000 2.201 237 D HA 0.129 4.770 4.640 0.001 0.000 0.209 237 D C 0.742 177.032 176.300 -0.016 0.000 0.961 237 D CA 1.657 55.652 54.000 -0.008 0.000 0.861 237 D CB 0.373 41.188 40.800 0.025 0.000 0.997 237 D HN 0.805 nan 8.370 nan 0.000 0.486 238 M N -0.949 118.606 119.600 -0.075 0.000 2.664 238 M HA 0.586 5.067 4.480 0.001 0.000 0.279 238 M C -1.511 174.687 176.300 -0.169 0.000 1.275 238 M CA -0.944 54.313 55.300 -0.071 0.000 0.829 238 M CB 3.152 35.744 32.600 -0.014 0.000 1.727 238 M HN -0.418 nan 8.290 nan 0.000 0.459 239 V N 2.134 122.006 119.914 -0.071 0.000 2.525 239 V HA 0.483 4.604 4.120 0.001 0.000 0.299 239 V C -1.461 174.736 176.094 0.172 0.000 1.034 239 V CA -0.397 61.863 62.300 -0.065 0.000 0.863 239 V CB 1.912 33.714 31.823 -0.035 0.000 0.999 239 V HN 0.672 nan 8.190 nan 0.000 0.423 240 F N 3.836 123.768 119.950 -0.030 0.000 2.334 240 F HA 0.614 5.142 4.527 0.002 0.000 0.365 240 F C 0.795 176.576 175.800 -0.031 0.000 1.124 240 F CA -1.473 56.508 58.000 -0.031 0.000 1.166 240 F CB 0.860 39.847 39.000 -0.022 0.000 1.355 240 F HN 0.526 nan 8.300 nan 0.000 0.532 241 A N 2.681 125.587 122.820 0.144 0.000 2.302 241 A HA 0.536 4.857 4.320 0.001 0.000 0.295 241 A C 0.431 178.041 177.584 0.044 0.000 1.235 241 A CA -0.354 51.730 52.037 0.077 0.000 0.876 241 A CB 0.046 19.074 19.000 0.047 0.000 1.133 241 A HN 0.559 nan 8.150 nan 0.000 0.533 242 S N 1.472 117.210 115.700 0.063 0.000 2.580 242 S HA 0.462 4.933 4.470 0.001 0.000 0.274 242 S C -0.252 174.436 174.600 0.147 0.000 1.329 242 S CA -0.160 58.038 58.200 -0.004 0.000 1.036 242 S CB -0.269 62.985 63.200 0.090 0.000 0.919 242 S HN 0.776 nan 8.310 nan 0.000 0.515 243 F N -0.125 119.820 119.950 -0.009 0.000 2.797 243 F HA -0.149 4.378 4.527 0.001 0.000 0.273 243 F C -0.071 175.719 175.800 -0.017 0.000 1.020 243 F CA -0.214 57.777 58.000 -0.016 0.000 0.961 243 F CB -1.545 37.440 39.000 -0.024 0.000 1.020 243 F HN 0.370 nan 8.300 nan 0.000 0.840 244 I N 1.628 122.249 120.570 0.084 0.000 2.352 244 I HA 0.164 4.334 4.170 0.001 0.000 0.290 244 I C 1.362 177.504 176.117 0.043 0.000 1.036 244 I CA 0.046 61.374 61.300 0.046 0.000 1.336 244 I CB 1.325 39.323 38.000 -0.004 0.000 1.407 244 I HN 0.431 nan 8.210 nan 0.000 0.497 245 R N 5.077 125.601 120.500 0.040 0.000 2.254 245 R HA 0.175 4.516 4.340 0.001 0.000 0.193 245 R C -0.080 176.224 176.300 0.006 0.000 0.929 245 R CA 0.311 56.431 56.100 0.034 0.000 1.038 245 R CB 0.466 30.791 30.300 0.042 0.000 1.009 245 R HN 0.591 nan 8.270 nan 0.000 0.512 246 K N -1.889 118.504 120.400 -0.011 0.000 2.578 246 K HA 0.501 4.822 4.320 0.001 0.000 0.287 246 K C -0.122 176.437 176.600 -0.069 0.000 1.010 246 K CA -0.340 55.928 56.287 -0.032 0.000 0.889 246 K CB 1.139 33.632 32.500 -0.011 0.000 1.514 246 K HN -0.154 nan 8.250 nan 0.000 0.424 247 A N 0.755 123.521 122.820 -0.090 0.000 2.076 247 A HA -0.188 4.133 4.320 0.001 0.000 0.220 247 A C 2.081 179.539 177.584 -0.210 0.000 1.160 247 A CA 2.341 54.276 52.037 -0.170 0.000 0.653 247 A CB -0.981 17.947 19.000 -0.119 0.000 0.801 247 A HN 0.802 nan 8.150 nan 0.000 0.455 248 S N 0.066 115.743 115.700 -0.038 0.000 2.371 248 S HA -0.150 4.321 4.470 0.001 0.000 0.224 248 S C 1.426 176.030 174.600 0.007 0.000 1.029 248 S CA 1.141 59.375 58.200 0.058 0.000 0.978 248 S CB -0.478 62.766 63.200 0.074 0.000 0.833 248 S HN 0.476 nan 8.310 nan 0.000 0.466 249 D N 1.946 122.334 120.400 -0.020 0.000 2.133 249 D HA -0.090 4.551 4.640 0.001 0.000 0.195 249 D C 2.104 178.383 176.300 -0.035 0.000 0.997 249 D CA 1.364 55.358 54.000 -0.011 0.000 0.840 249 D CB -0.637 40.160 40.800 -0.005 0.000 0.947 249 D HN 0.388 nan 8.370 nan 0.000 0.452 250 V N 0.321 120.167 119.914 -0.113 0.000 2.427 250 V HA -0.221 3.899 4.120 0.001 0.000 0.248 250 V C 1.947 177.968 176.094 -0.121 0.000 1.051 250 V CA 1.635 63.846 62.300 -0.148 0.000 1.048 250 V CB -0.752 30.924 31.823 -0.246 0.000 0.666 250 V HN 0.307 nan 8.190 nan 0.000 0.456 251 H N -0.211 118.856 119.070 -0.005 0.000 2.457 251 H HA -0.143 4.414 4.556 0.001 0.000 0.294 251 H C 2.359 177.688 175.328 0.002 0.000 1.064 251 H CA 1.387 57.433 56.048 -0.003 0.000 1.330 251 H CB 0.201 29.960 29.762 -0.005 0.000 1.395 251 H HN 0.496 nan 8.280 nan 0.000 0.541 252 E N 0.809 121.070 120.200 0.102 0.000 2.047 252 E HA -0.116 4.235 4.350 0.001 0.000 0.191 252 E C 2.126 178.753 176.600 0.045 0.000 0.987 252 E CA 1.176 57.614 56.400 0.064 0.000 0.799 252 E CB -0.328 29.399 29.700 0.046 0.000 0.752 252 E HN 0.182 nan 8.360 nan 0.000 0.449 253 V N 0.924 120.856 119.914 0.031 0.000 2.407 253 V HA -0.228 3.893 4.120 0.001 0.000 0.248 253 V C 2.648 178.757 176.094 0.025 0.000 1.055 253 V CA 2.168 64.481 62.300 0.022 0.000 1.049 253 V CB -0.630 31.200 31.823 0.011 0.000 0.662 253 V HN 0.275 nan 8.190 nan 0.000 0.455 254 R N 0.980 121.502 120.500 0.037 0.000 2.073 254 R HA -0.236 4.105 4.340 0.001 0.000 0.234 254 R C 2.391 178.717 176.300 0.044 0.000 1.134 254 R CA 2.045 58.173 56.100 0.046 0.000 0.952 254 R CB -0.249 30.099 30.300 0.079 0.000 0.850 254 R HN 0.631 nan 8.270 nan 0.000 0.433 255 K N -0.301 120.130 120.400 0.051 0.000 2.147 255 K HA -0.078 4.243 4.320 0.001 0.000 0.205 255 K C 1.562 178.179 176.600 0.028 0.000 1.049 255 K CA 1.838 58.148 56.287 0.038 0.000 0.936 255 K CB -0.250 32.274 32.500 0.040 0.000 0.722 255 K HN 0.072 nan 8.250 nan 0.000 0.446 256 V N 1.292 121.222 119.914 0.027 0.000 2.548 256 V HA -0.127 3.994 4.120 0.001 0.000 0.249 256 V C 2.262 178.365 176.094 0.017 0.000 1.055 256 V CA 1.391 63.704 62.300 0.023 0.000 1.065 256 V CB -0.495 31.341 31.823 0.022 0.000 0.681 256 V HN 0.307 nan 8.190 nan 0.000 0.462 257 L N -0.232 120.999 121.223 0.013 0.000 2.240 257 L HA 0.231 4.572 4.340 0.001 0.000 0.211 257 L C 1.763 178.639 176.870 0.009 0.000 1.106 257 L CA 0.859 55.703 54.840 0.006 0.000 0.793 257 L CB -0.994 41.067 42.059 0.004 0.000 0.927 257 L HN 0.550 nan 8.230 nan 0.000 0.446 258 G N 1.410 110.219 108.800 0.015 0.000 2.574 258 G HA2 -0.402 3.559 3.960 0.001 0.000 0.282 258 G HA3 -0.402 3.559 3.960 0.001 0.000 0.282 258 G C 0.732 175.640 174.900 0.013 0.000 1.257 258 G CA 0.630 45.739 45.100 0.014 0.000 0.956 258 G HN 0.534 nan 8.290 nan 0.000 0.560 259 E N -0.094 120.112 120.200 0.011 0.000 2.076 259 E HA 0.044 4.395 4.350 0.001 0.000 0.190 259 E C 2.193 178.798 176.600 0.008 0.000 0.979 259 E CA 1.213 57.619 56.400 0.010 0.000 0.807 259 E CB -0.143 29.562 29.700 0.009 0.000 0.761 259 E HN 0.559 nan 8.360 nan 0.000 0.454 260 K N 0.465 120.868 120.400 0.005 0.000 2.439 260 K HA 0.016 4.337 4.320 0.001 0.000 0.197 260 K C 1.571 178.170 176.600 -0.002 0.000 1.041 260 K CA 0.885 57.172 56.287 -0.000 0.000 0.970 260 K CB 0.167 32.665 32.500 -0.004 0.000 0.773 260 K HN 0.289 nan 8.250 nan 0.000 0.479 261 G N 0.475 109.276 108.800 0.001 0.000 3.453 261 G HA2 -0.032 3.929 3.960 0.001 0.000 0.263 261 G HA3 -0.032 3.929 3.960 0.001 0.000 0.263 261 G C 0.850 175.756 174.900 0.010 0.000 1.060 261 G CA -0.349 44.751 45.100 -0.001 0.000 0.793 261 G HN 0.082 nan 8.290 nan 0.000 0.532 262 K N 0.413 120.822 120.400 0.014 0.000 2.218 262 K HA -0.119 4.202 4.320 0.001 0.000 0.205 262 K C 1.529 178.146 176.600 0.029 0.000 1.046 262 K CA 1.525 57.825 56.287 0.022 0.000 0.933 262 K CB 0.021 32.534 32.500 0.020 0.000 0.728 262 K HN 0.297 nan 8.250 nan 0.000 0.454 263 N N -0.495 118.222 118.700 0.028 0.000 2.205 263 N HA 0.183 4.923 4.740 0.001 0.000 0.201 263 N C -0.550 174.984 175.510 0.041 0.000 1.128 263 N CA -0.149 52.925 53.050 0.040 0.000 0.867 263 N CB 0.564 39.076 38.487 0.042 0.000 0.996 263 N HN 0.034 nan 8.380 nan 0.000 0.503 264 I N 1.806 122.391 120.570 0.025 0.000 2.533 264 I HA -0.005 4.166 4.170 0.001 0.000 0.284 264 I C 0.219 176.353 176.117 0.028 0.000 1.109 264 I CA -0.119 61.191 61.300 0.016 0.000 1.412 264 I CB 0.540 38.535 38.000 -0.008 0.000 1.396 264 I HN -0.114 nan 8.210 nan 0.000 0.543 265 K N 7.985 128.409 120.400 0.040 0.000 2.349 265 K HA 0.378 4.698 4.320 0.001 0.000 0.288 265 K C -0.323 176.307 176.600 0.049 0.000 1.058 265 K CA -0.190 56.128 56.287 0.053 0.000 0.953 265 K CB 0.909 33.453 32.500 0.074 0.000 0.997 265 K HN 0.521 nan 8.250 nan 0.000 0.477 266 I N 5.161 125.753 120.570 0.037 0.000 2.337 266 I HA 0.223 4.394 4.170 0.001 0.000 0.291 266 I C 0.391 176.530 176.117 0.037 0.000 1.046 266 I CA -0.421 60.901 61.300 0.036 0.000 1.324 266 I CB 0.356 38.362 38.000 0.011 0.000 1.409 266 I HN 0.305 nan 8.210 nan 0.000 0.494 267 I N 5.801 126.423 120.570 0.087 0.000 2.328 267 I HA 0.187 4.358 4.170 0.001 0.000 0.287 267 I C 0.255 176.381 176.117 0.015 0.000 1.012 267 I CA -0.099 61.230 61.300 0.048 0.000 1.195 267 I CB 1.276 39.332 38.000 0.092 0.000 1.350 267 I HN 0.541 nan 8.210 nan 0.000 0.464 268 S N 5.865 121.544 115.700 -0.035 0.000 2.565 268 S HA 0.304 4.775 4.470 0.001 0.000 0.276 268 S C -0.108 174.454 174.600 -0.064 0.000 1.326 268 S CA -0.640 57.534 58.200 -0.043 0.000 1.045 268 S CB 0.778 63.940 63.200 -0.063 0.000 0.918 268 S HN 0.433 nan 8.310 nan 0.000 0.505 269 K N 2.360 122.717 120.400 -0.071 0.000 2.316 269 K HA 0.353 4.673 4.320 0.001 0.000 0.267 269 K C -0.861 175.677 176.600 -0.103 0.000 1.025 269 K CA -0.467 55.749 56.287 -0.118 0.000 0.896 269 K CB 0.714 33.115 32.500 -0.166 0.000 1.124 269 K HN 0.415 nan 8.250 nan 0.000 0.451 270 I N 4.681 125.211 120.570 -0.065 0.000 2.329 270 I HA 0.002 4.173 4.170 0.001 0.000 0.295 270 I C 0.866 176.927 176.117 -0.093 0.000 1.109 270 I CA 0.437 61.717 61.300 -0.033 0.000 1.297 270 I CB -0.019 38.008 38.000 0.046 0.000 1.433 270 I HN 0.761 nan 8.210 nan 0.000 0.509 271 E N 4.724 124.855 120.200 -0.115 0.000 3.029 271 E HA 0.203 4.554 4.350 0.001 0.000 0.196 271 E C -0.494 176.080 176.600 -0.043 0.000 0.973 271 E CA -0.537 55.777 56.400 -0.144 0.000 1.242 271 E CB 0.168 29.674 29.700 -0.322 0.000 1.056 271 E HN 0.736 nan 8.360 nan 0.000 0.469 272 N N -0.925 117.783 118.700 0.014 0.000 3.316 272 N HA 0.137 4.877 4.740 0.001 0.000 0.300 272 N C 0.354 175.910 175.510 0.077 0.000 1.567 272 N CA -0.885 52.212 53.050 0.078 0.000 0.821 272 N CB 0.568 39.135 38.487 0.133 0.000 1.748 272 N HN -0.010 nan 8.380 nan 0.000 0.603 273 H N -0.731 118.342 119.070 0.005 0.000 2.431 273 H HA 0.098 4.654 4.556 0.001 0.000 0.295 273 H C 1.035 176.366 175.328 0.006 0.000 1.038 273 H CA 1.308 57.352 56.048 -0.007 0.000 1.360 273 H CB 0.433 30.189 29.762 -0.010 0.000 1.433 273 H HN 0.766 nan 8.280 nan 0.000 0.536 274 E N 0.380 120.627 120.200 0.078 0.000 2.051 274 E HA -0.088 4.263 4.350 0.001 0.000 0.192 274 E C 2.408 178.997 176.600 -0.018 0.000 0.991 274 E CA 1.510 57.927 56.400 0.028 0.000 0.799 274 E CB -0.733 29.008 29.700 0.068 0.000 0.748 274 E HN 0.546 nan 8.360 nan 0.000 0.449 275 G N -0.445 108.361 108.800 0.010 0.000 2.470 275 G HA2 -0.184 3.777 3.960 0.001 0.000 0.220 275 G HA3 -0.184 3.777 3.960 0.001 0.000 0.220 275 G C 1.584 176.517 174.900 0.055 0.000 1.121 275 G CA 0.932 46.050 45.100 0.030 0.000 0.766 275 G HN 0.249 nan 8.290 nan 0.000 0.553 276 V N 0.189 120.076 119.914 -0.044 0.000 2.346 276 V HA -0.049 4.072 4.120 0.001 0.000 0.244 276 V C 2.857 178.896 176.094 -0.091 0.000 1.037 276 V CA 1.316 63.559 62.300 -0.095 0.000 1.029 276 V CB -0.368 31.327 31.823 -0.213 0.000 0.663 276 V HN 0.261 nan 8.190 nan 0.000 0.454 277 R N 0.403 120.786 120.500 -0.195 0.000 2.082 277 R HA -0.091 4.250 4.340 0.001 0.000 0.234 277 R C 2.242 178.523 176.300 -0.033 0.000 1.136 277 R CA 1.231 57.242 56.100 -0.148 0.000 0.935 277 R CB -0.332 29.867 30.300 -0.167 0.000 0.842 277 R HN 0.381 nan 8.270 nan 0.000 0.430 278 R N 0.275 120.766 120.500 -0.014 0.000 2.323 278 R HA -0.027 4.313 4.340 0.001 0.000 0.198 278 R C 1.713 178.015 176.300 0.002 0.000 0.988 278 R CA 0.030 56.126 56.100 -0.007 0.000 1.041 278 R CB -0.644 29.645 30.300 -0.017 0.000 0.926 278 R HN 0.206 nan 8.270 nan 0.000 0.476 279 F N 3.199 123.097 119.950 -0.087 0.000 2.053 279 F HA -0.376 4.152 4.527 0.001 0.000 0.295 279 F C 1.650 177.408 175.800 -0.070 0.000 1.102 279 F CA 2.047 59.997 58.000 -0.083 0.000 1.225 279 F CB -0.164 38.781 39.000 -0.093 0.000 0.961 279 F HN 0.052 nan 8.300 nan 0.000 0.495 280 D N -0.149 120.169 120.400 -0.137 0.000 2.149 280 D HA -0.266 4.375 4.640 0.001 0.000 0.194 280 D C 2.227 178.385 176.300 -0.237 0.000 1.001 280 D CA 1.791 55.669 54.000 -0.203 0.000 0.849 280 D CB -0.602 40.173 40.800 -0.040 0.000 0.939 280 D HN 0.621 nan 8.370 nan 0.000 0.449 281 E N 0.607 120.706 120.200 -0.167 0.000 2.106 281 E HA -0.140 4.211 4.350 0.001 0.000 0.192 281 E C 2.407 178.892 176.600 -0.192 0.000 0.984 281 E CA 0.455 56.774 56.400 -0.135 0.000 0.806 281 E CB -0.036 29.614 29.700 -0.082 0.000 0.750 281 E HN 0.275 nan 8.360 nan 0.000 0.458 282 I N 1.194 121.610 120.570 -0.257 0.000 2.202 282 I HA -0.262 3.908 4.170 0.001 0.000 0.242 282 I C 2.698 178.609 176.117 -0.343 0.000 1.091 282 I CA 0.653 61.785 61.300 -0.279 0.000 1.368 282 I CB -0.268 37.577 38.000 -0.259 0.000 1.058 282 I HN 0.260 nan 8.210 nan 0.000 0.410 283 L N 0.829 121.726 121.223 -0.544 0.000 2.012 283 L HA -0.286 4.055 4.340 0.001 0.000 0.210 283 L C 2.614 179.329 176.870 -0.258 0.000 1.073 283 L CA 1.864 56.413 54.840 -0.484 0.000 0.748 283 L CB -0.453 41.207 42.059 -0.666 0.000 0.891 283 L HN 0.380 nan 8.230 nan 0.000 0.431 284 E N -0.190 119.878 120.200 -0.219 0.000 2.049 284 E HA -0.279 4.072 4.350 0.001 0.000 0.198 284 E C 1.913 178.454 176.600 -0.099 0.000 1.007 284 E CA 1.602 57.927 56.400 -0.125 0.000 0.809 284 E CB -0.049 29.593 29.700 -0.097 0.000 0.749 284 E HN 0.578 nan 8.360 nan 0.000 0.450 285 A N 0.403 123.143 122.820 -0.134 0.000 2.119 285 A HA 0.048 4.369 4.320 0.001 0.000 0.216 285 A C 1.287 178.793 177.584 -0.131 0.000 1.152 285 A CA 0.437 52.389 52.037 -0.142 0.000 0.708 285 A CB 0.100 18.918 19.000 -0.304 0.000 0.805 285 A HN 0.179 nan 8.150 nan 0.000 0.460 286 S N -0.206 115.415 115.700 -0.133 0.000 2.713 286 S HA 0.330 4.801 4.470 0.001 0.000 0.277 286 S C 0.023 174.588 174.600 -0.058 0.000 1.168 286 S CA -0.475 57.667 58.200 -0.096 0.000 0.994 286 S CB 0.765 63.898 63.200 -0.112 0.000 1.054 286 S HN 0.352 nan 8.310 nan 0.000 0.555 287 D N 0.074 120.454 120.400 -0.033 0.000 2.367 287 D HA 0.319 4.960 4.640 0.001 0.000 0.207 287 D C 0.744 177.020 176.300 -0.041 0.000 1.034 287 D CA 0.508 54.503 54.000 -0.010 0.000 0.861 287 D CB 0.499 41.312 40.800 0.021 0.000 0.943 287 D HN 0.621 nan 8.370 nan 0.000 0.515 288 G N -0.274 108.488 108.800 -0.064 0.000 2.441 288 G HA2 0.484 4.445 3.960 0.001 0.000 0.294 288 G HA3 0.484 4.445 3.960 0.001 0.000 0.294 288 G C -1.928 172.922 174.900 -0.083 0.000 1.393 288 G CA -0.574 44.468 45.100 -0.097 0.000 0.796 288 G HN -0.042 nan 8.290 nan 0.000 0.494 289 I N 0.006 120.528 120.570 -0.081 0.000 2.865 289 I HA 0.749 4.920 4.170 0.001 0.000 0.302 289 I C -0.364 175.688 176.117 -0.109 0.000 1.140 289 I CA -0.897 60.372 61.300 -0.051 0.000 1.021 289 I CB 2.321 40.371 38.000 0.084 0.000 1.233 289 I HN 0.646 nan 8.210 nan 0.000 0.427 290 M N 5.582 125.104 119.600 -0.131 0.000 2.259 290 M HA 0.535 5.016 4.480 0.001 0.000 0.304 290 M C -1.642 174.574 176.300 -0.141 0.000 1.019 290 M CA -0.746 54.433 55.300 -0.200 0.000 0.922 290 M CB 1.487 33.889 32.600 -0.331 0.000 1.600 290 M HN 0.243 nan 8.290 nan 0.000 0.433 291 V N 5.138 124.971 119.914 -0.134 0.000 2.313 291 V HA 0.319 4.440 4.120 0.001 0.000 0.252 291 V C 0.583 176.602 176.094 -0.126 0.000 1.112 291 V CA -0.417 61.810 62.300 -0.121 0.000 0.984 291 V CB 0.096 31.850 31.823 -0.115 0.000 1.157 291 V HN 0.884 nan 8.190 nan 0.000 0.493 292 A N 5.610 128.347 122.820 -0.138 0.000 2.990 292 A HA 0.272 4.593 4.320 0.001 0.000 0.282 292 A C 1.591 179.106 177.584 -0.115 0.000 1.688 292 A CA -0.298 51.652 52.037 -0.144 0.000 1.391 292 A CB -0.450 18.433 19.000 -0.196 0.000 1.112 292 A HN 0.838 nan 8.150 nan 0.000 0.588 293 R N 1.384 121.833 120.500 -0.087 0.000 2.139 293 R HA -0.189 4.152 4.340 0.001 0.000 0.243 293 R C 2.259 178.527 176.300 -0.053 0.000 1.145 293 R CA 1.453 57.516 56.100 -0.062 0.000 0.976 293 R CB -0.270 30.005 30.300 -0.042 0.000 0.866 293 R HN 0.707 nan 8.270 nan 0.000 0.449 294 G N 1.593 110.361 108.800 -0.053 0.000 2.639 294 G HA2 -0.318 3.643 3.960 0.001 0.000 0.216 294 G HA3 -0.318 3.643 3.960 0.001 0.000 0.216 294 G C 0.735 175.612 174.900 -0.038 0.000 1.267 294 G CA 1.452 46.531 45.100 -0.036 0.000 0.801 294 G HN 0.218 nan 8.290 nan 0.000 0.592 295 D N -0.338 120.027 120.400 -0.059 0.000 2.149 295 D HA -0.032 4.608 4.640 0.001 0.000 0.201 295 D C 2.322 178.598 176.300 -0.041 0.000 0.972 295 D CA 0.217 54.197 54.000 -0.033 0.000 0.835 295 D CB -0.239 40.535 40.800 -0.043 0.000 0.966 295 D HN 0.164 nan 8.370 nan 0.000 0.476 296 L N 0.625 121.808 121.223 -0.066 0.000 2.043 296 L HA -0.036 4.305 4.340 0.001 0.000 0.212 296 L C 2.046 178.886 176.870 -0.050 0.000 1.075 296 L CA 1.939 56.746 54.840 -0.055 0.000 0.752 296 L CB -0.976 41.039 42.059 -0.074 0.000 0.891 296 L HN 0.101 nan 8.230 nan 0.000 0.432 297 G N -1.418 107.352 108.800 -0.052 0.000 2.776 297 G HA2 -0.058 3.902 3.960 0.001 0.000 0.209 297 G HA3 -0.058 3.902 3.960 0.001 0.000 0.209 297 G C 1.356 176.206 174.900 -0.083 0.000 1.145 297 G CA 0.823 45.892 45.100 -0.051 0.000 0.791 297 G HN 0.526 nan 8.290 nan 0.000 0.530 298 I N -1.058 119.450 120.570 -0.104 0.000 4.244 298 I HA 0.157 4.328 4.170 0.001 0.000 0.318 298 I C 2.049 178.040 176.117 -0.210 0.000 1.282 298 I CA 0.054 61.233 61.300 -0.202 0.000 1.276 298 I CB 0.354 38.260 38.000 -0.156 0.000 1.183 298 I HN -0.078 nan 8.210 nan 0.000 0.431 299 E N 1.757 121.899 120.200 -0.097 0.000 2.112 299 E HA 0.066 4.417 4.350 0.001 0.000 0.190 299 E C 0.849 177.417 176.600 -0.054 0.000 0.979 299 E CA 0.837 57.205 56.400 -0.053 0.000 0.814 299 E CB 0.300 30.010 29.700 0.017 0.000 0.762 299 E HN 0.515 nan 8.360 nan 0.000 0.460 300 I N -1.781 118.762 120.570 -0.044 0.000 2.797 300 I HA 0.464 4.635 4.170 0.001 0.000 0.307 300 I C -2.681 173.404 176.117 -0.052 0.000 1.033 300 I CA -2.993 58.291 61.300 -0.027 0.000 1.071 300 I CB 2.111 40.124 38.000 0.022 0.000 1.255 300 I HN -0.344 nan 8.210 nan 0.000 0.445 301 P HA 0.090 nan 4.420 nan 0.000 0.263 301 P C 0.433 177.724 177.300 -0.015 0.000 1.195 301 P CA 0.081 63.163 63.100 -0.031 0.000 0.762 301 P CB 1.141 32.834 31.700 -0.012 0.000 0.799 302 A N 4.359 127.169 122.820 -0.016 0.000 1.997 302 A HA -0.278 4.042 4.320 0.001 0.000 0.221 302 A C 1.711 179.329 177.584 0.056 0.000 1.172 302 A CA 1.940 53.982 52.037 0.008 0.000 0.645 302 A CB -0.930 18.071 19.000 0.003 0.000 0.813 302 A HN 0.607 nan 8.150 nan 0.000 0.454 303 E N 0.370 120.610 120.200 0.068 0.000 2.150 303 E HA -0.134 4.217 4.350 0.001 0.000 0.193 303 E C 1.831 178.557 176.600 0.209 0.000 0.985 303 E CA 1.286 57.769 56.400 0.138 0.000 0.814 303 E CB -0.118 29.646 29.700 0.107 0.000 0.752 303 E HN 0.597 nan 8.360 nan 0.000 0.466 304 K N 0.705 121.143 120.400 0.064 0.000 2.228 304 K HA 0.002 4.323 4.320 0.001 0.000 0.202 304 K C 2.154 178.653 176.600 -0.168 0.000 1.051 304 K CA 0.781 57.027 56.287 -0.069 0.000 0.960 304 K CB -0.188 32.272 32.500 -0.066 0.000 0.743 304 K HN 0.048 nan 8.250 nan 0.000 0.458 305 V N 2.579 122.468 119.914 -0.042 0.000 2.252 305 V HA -0.333 3.788 4.120 0.001 0.000 0.255 305 V C 2.332 178.374 176.094 -0.087 0.000 1.071 305 V CA 2.504 64.774 62.300 -0.050 0.000 1.050 305 V CB -1.067 30.761 31.823 0.008 0.000 0.654 305 V HN 0.341 nan 8.190 nan 0.000 0.448 306 F N 0.032 119.952 119.950 -0.050 0.000 2.202 306 F HA -0.118 4.409 4.527 0.001 0.000 0.301 306 F C 1.950 177.712 175.800 -0.063 0.000 1.082 306 F CA 1.452 59.421 58.000 -0.052 0.000 1.313 306 F CB -1.102 37.876 39.000 -0.037 0.000 1.024 306 F HN 0.100 nan 8.300 nan 0.000 0.495 307 L N 0.955 121.489 121.223 -1.148 0.000 1.976 307 L HA -0.129 4.212 4.340 0.001 0.000 0.209 307 L C 3.074 179.697 176.870 -0.412 0.000 1.071 307 L CA 1.380 55.733 54.840 -0.812 0.000 0.746 307 L CB -1.324 40.295 42.059 -0.734 0.000 0.890 307 L HN 0.310 nan 8.230 nan 0.000 0.432 308 A N -0.410 122.205 122.820 -0.342 0.000 1.927 308 A HA -0.345 3.976 4.320 0.001 0.000 0.220 308 A C 2.257 179.675 177.584 -0.276 0.000 1.185 308 A CA 2.340 54.208 52.037 -0.282 0.000 0.639 308 A CB -0.788 18.078 19.000 -0.223 0.000 0.820 308 A HN 0.584 nan 8.150 nan 0.000 0.451 309 Q N -0.313 119.362 119.800 -0.208 0.000 2.020 309 Q HA -0.231 4.110 4.340 0.001 0.000 0.202 309 Q C 1.997 177.902 176.000 -0.159 0.000 0.982 309 Q CA 2.046 57.752 55.803 -0.160 0.000 0.838 309 Q CB -0.184 28.506 28.738 -0.080 0.000 0.899 309 Q HN 0.681 nan 8.270 nan 0.000 0.423 310 K N 0.048 120.368 120.400 -0.133 0.000 2.097 310 K HA -0.131 4.189 4.320 0.001 0.000 0.206 310 K C 2.210 178.718 176.600 -0.154 0.000 1.049 310 K CA 1.378 57.600 56.287 -0.107 0.000 0.933 310 K CB -0.240 32.226 32.500 -0.057 0.000 0.717 310 K HN 0.331 nan 8.250 nan 0.000 0.442 311 M N 0.842 120.314 119.600 -0.213 0.000 2.086 311 M HA -0.160 4.321 4.480 0.001 0.000 0.261 311 M C 1.891 178.003 176.300 -0.314 0.000 1.067 311 M CA 1.838 56.995 55.300 -0.239 0.000 1.116 311 M CB -0.275 32.161 32.600 -0.273 0.000 1.348 311 M HN 0.200 nan 8.290 nan 0.000 0.407 312 M N -0.321 119.004 119.600 -0.459 0.000 2.132 312 M HA -0.169 4.312 4.480 0.001 0.000 0.263 312 M C 2.148 178.326 176.300 -0.204 0.000 1.065 312 M CA 1.427 56.366 55.300 -0.601 0.000 1.122 312 M CB -0.435 31.748 32.600 -0.695 0.000 1.365 312 M HN 0.247 nan 8.290 nan 0.000 0.411 313 I N -0.198 120.281 120.570 -0.153 0.000 2.252 313 I HA -0.174 3.996 4.170 0.001 0.000 0.245 313 I C 2.579 178.662 176.117 -0.056 0.000 1.102 313 I CA 1.329 62.582 61.300 -0.079 0.000 1.385 313 I CB -0.865 37.092 38.000 -0.072 0.000 1.064 313 I HN 0.355 nan 8.210 nan 0.000 0.414 314 G N 0.497 109.253 108.800 -0.073 0.000 2.404 314 G HA2 -0.237 3.724 3.960 0.001 0.000 0.215 314 G HA3 -0.237 3.724 3.960 0.001 0.000 0.215 314 G C 1.786 176.671 174.900 -0.026 0.000 1.174 314 G CA 0.490 45.556 45.100 -0.055 0.000 0.780 314 G HN 0.212 nan 8.290 nan 0.000 0.537 315 R N -0.698 119.798 120.500 -0.007 0.000 2.083 315 R HA -0.051 4.289 4.340 0.001 0.000 0.237 315 R C 2.722 179.076 176.300 0.091 0.000 1.137 315 R CA 1.551 57.696 56.100 0.074 0.000 0.951 315 R CB -0.768 29.649 30.300 0.196 0.000 0.851 315 R HN 0.398 nan 8.270 nan 0.000 0.434 316 C N 0.236 119.598 119.300 0.103 0.000 2.432 316 C HA -0.035 4.426 4.460 0.001 0.000 0.277 316 C C 2.265 177.259 174.990 0.007 0.000 1.249 316 C CA 0.685 59.743 59.018 0.068 0.000 1.725 316 C CB -1.075 26.704 27.740 0.064 0.000 2.028 316 C HN 0.536 nan 8.230 nan 0.000 0.477 317 N N 0.446 119.140 118.700 -0.011 0.000 2.149 317 N HA -0.126 4.615 4.740 0.001 0.000 0.188 317 N C 1.936 177.410 175.510 -0.059 0.000 1.019 317 N CA 0.973 54.001 53.050 -0.038 0.000 0.857 317 N CB -0.459 38.004 38.487 -0.040 0.000 0.997 317 N HN 0.476 nan 8.380 nan 0.000 0.426 318 R N 0.281 120.759 120.500 -0.037 0.000 2.073 318 R HA 0.009 4.349 4.340 0.001 0.000 0.234 318 R C 1.601 177.879 176.300 -0.037 0.000 1.134 318 R CA 1.441 57.517 56.100 -0.040 0.000 0.952 318 R CB -0.215 30.081 30.300 -0.007 0.000 0.850 318 R HN 0.222 nan 8.270 nan 0.000 0.433 319 A N -0.661 122.151 122.820 -0.013 0.000 2.123 319 A HA 0.158 4.479 4.320 0.001 0.000 0.214 319 A C 1.279 178.856 177.584 -0.012 0.000 1.152 319 A CA 1.013 53.047 52.037 -0.005 0.000 0.728 319 A CB -0.003 18.997 19.000 -0.000 0.000 0.814 319 A HN 0.577 nan 8.150 nan 0.000 0.464 320 G N -0.793 107.991 108.800 -0.026 0.000 2.130 320 G HA2 -0.178 3.782 3.960 0.001 0.000 0.216 320 G HA3 -0.178 3.782 3.960 0.001 0.000 0.216 320 G C -0.127 174.803 174.900 0.050 0.000 0.999 320 G CA 0.210 45.310 45.100 -0.001 0.000 0.686 320 G HN 0.448 nan 8.290 nan 0.000 0.515 321 K N 0.552 120.958 120.400 0.011 0.000 2.244 321 K HA 0.460 4.780 4.320 0.001 0.000 0.260 321 K C -2.704 173.841 176.600 -0.092 0.000 0.951 321 K CA -1.943 54.332 56.287 -0.019 0.000 0.826 321 K CB 2.436 34.916 32.500 -0.033 0.000 1.108 321 K HN -0.009 nan 8.250 nan 0.000 0.433 322 P HA 0.025 nan 4.420 nan 0.000 0.267 322 P C -0.829 176.361 177.300 -0.182 0.000 1.200 322 P CA -0.331 62.574 63.100 -0.324 0.000 0.772 322 P CB 0.646 31.974 31.700 -0.621 0.000 0.855 323 V N 4.711 124.539 119.914 -0.142 0.000 2.733 323 V HA 0.486 4.606 4.120 0.001 0.000 0.306 323 V C -1.108 174.917 176.094 -0.115 0.000 1.084 323 V CA -0.736 61.502 62.300 -0.102 0.000 0.905 323 V CB 1.375 33.166 31.823 -0.054 0.000 1.010 323 V HN 0.299 nan 8.190 nan 0.000 0.424 324 I N 6.701 127.186 120.570 -0.141 0.000 2.355 324 I HA 0.399 4.569 4.170 0.001 0.000 0.288 324 I C 0.029 176.065 176.117 -0.134 0.000 0.999 324 I CA -0.389 60.820 61.300 -0.152 0.000 1.163 324 I CB 1.457 39.307 38.000 -0.251 0.000 1.316 324 I HN 0.675 nan 8.210 nan 0.000 0.454 325 C N 6.869 126.113 119.300 -0.094 0.000 2.435 325 C HA 0.851 5.311 4.460 0.001 0.000 0.375 325 C C 0.560 175.504 174.990 -0.077 0.000 1.281 325 C CA -0.017 58.954 59.018 -0.079 0.000 1.963 325 C CB -0.571 27.139 27.740 -0.051 0.000 2.490 325 C HN 0.901 nan 8.230 nan 0.000 0.557 326 A N 4.273 127.044 122.820 -0.081 0.000 2.530 326 A HA 0.926 5.246 4.320 0.001 0.000 0.288 326 A C 0.068 177.623 177.584 -0.048 0.000 1.172 326 A CA 0.375 52.371 52.037 -0.069 0.000 0.733 326 A CB 0.719 19.657 19.000 -0.104 0.000 1.320 326 A HN 2.573 nan 8.150 nan 0.000 0.419 327 T N -0.792 113.745 114.554 -0.029 0.000 0.561 327 T HA -0.135 4.215 4.350 0.001 0.000 0.771 327 T C 0.034 174.733 174.700 -0.002 0.000 0.992 327 T CA 1.518 63.610 62.100 -0.013 0.000 4.065 327 T CB -1.973 66.882 68.868 -0.021 0.000 2.296 327 T HN 2.224 nan 8.240 nan 0.000 0.396 328 Q N 2.014 121.821 119.800 0.012 0.000 2.487 328 Q HA -0.230 4.111 4.340 0.001 0.000 0.279 328 Q C 1.321 177.329 176.000 0.014 0.000 1.228 328 Q CA 1.402 57.215 55.803 0.017 0.000 0.873 328 Q CB -1.490 27.257 28.738 0.015 0.000 1.260 328 Q HN 0.905 nan 8.270 nan 0.000 0.471 329 M N -0.974 118.635 119.600 0.014 0.000 2.288 329 M HA -0.046 4.435 4.480 0.001 0.000 0.266 329 M C 0.716 177.027 176.300 0.017 0.000 1.072 329 M CA 1.071 56.379 55.300 0.013 0.000 1.132 329 M CB 0.300 32.907 32.600 0.011 0.000 1.386 329 M HN 0.199 nan 8.290 nan 0.000 0.432 330 L N -0.809 120.428 121.223 0.024 0.000 3.483 330 L HA 0.208 4.549 4.340 0.001 0.000 0.327 330 L C 1.271 178.160 176.870 0.032 0.000 1.318 330 L CA 0.231 55.086 54.840 0.025 0.000 0.979 330 L CB -0.022 42.056 42.059 0.032 0.000 1.404 330 L HN 0.092 nan 8.230 nan 0.000 0.615 331 E N -0.178 120.041 120.200 0.032 0.000 2.233 331 E HA -0.255 4.096 4.350 0.001 0.000 0.199 331 E C 1.910 178.535 176.600 0.042 0.000 1.004 331 E CA 1.587 58.010 56.400 0.039 0.000 0.819 331 E CB 0.386 30.107 29.700 0.035 0.000 0.738 331 E HN 0.585 nan 8.360 nan 0.000 0.478 332 S N -0.081 115.637 115.700 0.029 0.000 2.447 332 S HA -0.097 4.374 4.470 0.001 0.000 0.233 332 S C 1.791 176.412 174.600 0.035 0.000 1.006 332 S CA 0.599 58.815 58.200 0.026 0.000 0.957 332 S CB -0.186 63.019 63.200 0.008 0.000 0.773 332 S HN 0.221 nan 8.310 nan 0.000 0.507 333 M N 0.611 120.234 119.600 0.039 0.000 2.722 333 M HA 0.216 4.697 4.480 0.001 0.000 0.238 333 M C 1.341 177.747 176.300 0.176 0.000 1.098 333 M CA 0.449 55.785 55.300 0.060 0.000 1.062 333 M CB -0.478 32.146 32.600 0.040 0.000 1.573 333 M HN 0.384 nan 8.290 nan 0.000 0.531 334 I N 0.998 121.651 120.570 0.138 0.000 2.353 334 I HA -0.276 3.895 4.170 0.001 0.000 0.248 334 I C 2.492 178.726 176.117 0.194 0.000 1.119 334 I CA 1.345 62.731 61.300 0.144 0.000 1.417 334 I CB -0.106 37.948 38.000 0.090 0.000 1.078 334 I HN 0.374 nan 8.210 nan 0.000 0.421 335 K N 0.447 120.959 120.400 0.187 0.000 2.399 335 K HA 0.193 4.513 4.320 0.001 0.000 0.196 335 K C 0.403 177.178 176.600 0.292 0.000 1.103 335 K CA -0.068 56.347 56.287 0.213 0.000 0.986 335 K CB 0.467 33.036 32.500 0.116 0.000 0.952 335 K HN 0.059 nan 8.250 nan 0.000 0.541 336 K N 1.884 122.358 120.400 0.123 0.000 2.208 336 K HA 0.250 4.571 4.320 0.001 0.000 0.247 336 K C -2.239 174.001 176.600 -0.600 0.000 0.953 336 K CA -2.382 53.831 56.287 -0.123 0.000 0.837 336 K CB 1.990 34.443 32.500 -0.078 0.000 1.131 336 K HN -0.201 nan 8.250 nan 0.000 0.431 337 P HA 0.023 nan 4.420 nan 0.000 0.249 337 P C -0.591 176.460 177.300 -0.415 0.000 1.229 337 P CA 0.442 62.898 63.100 -1.073 0.000 0.788 337 P CB 0.645 31.863 31.700 -0.803 0.000 1.072 338 R N 0.515 120.857 120.500 -0.263 0.000 2.673 338 R HA 0.463 4.804 4.340 0.001 0.000 0.281 338 R C -2.642 173.603 176.300 -0.091 0.000 0.991 338 R CA -2.043 53.978 56.100 -0.132 0.000 0.896 338 R CB 2.396 32.638 30.300 -0.097 0.000 1.201 338 R HN -0.014 nan 8.270 nan 0.000 0.457 339 P HA 0.094 nan 4.420 nan 0.000 0.279 339 P C -0.376 176.910 177.300 -0.024 0.000 1.276 339 P CA -0.357 62.725 63.100 -0.029 0.000 0.801 339 P CB 0.652 32.344 31.700 -0.012 0.000 1.127 340 T N -1.455 113.090 114.554 -0.014 0.000 2.788 340 T HA 0.236 4.586 4.350 0.001 0.000 0.280 340 T C 1.436 176.129 174.700 -0.011 0.000 0.984 340 T CA -0.636 61.457 62.100 -0.013 0.000 0.972 340 T CB 0.416 69.279 68.868 -0.008 0.000 1.039 340 T HN 0.172 nan 8.240 nan 0.000 0.530 341 R N 0.446 120.938 120.500 -0.012 0.000 2.115 341 R HA 0.105 4.446 4.340 0.001 0.000 0.230 341 R C 2.550 178.843 176.300 -0.012 0.000 1.111 341 R CA 1.328 57.420 56.100 -0.012 0.000 0.976 341 R CB -1.754 28.537 30.300 -0.014 0.000 0.870 341 R HN 0.839 nan 8.270 nan 0.000 0.445 342 A N 0.948 123.761 122.820 -0.011 0.000 1.968 342 A HA -0.101 4.219 4.320 0.001 0.000 0.217 342 A C 1.963 179.542 177.584 -0.007 0.000 1.169 342 A CA 1.039 53.069 52.037 -0.012 0.000 0.638 342 A CB -0.175 18.818 19.000 -0.012 0.000 0.812 342 A HN 0.308 nan 8.150 nan 0.000 0.446 343 E N -0.623 119.574 120.200 -0.004 0.000 2.107 343 E HA -0.053 4.297 4.350 0.001 0.000 0.191 343 E C 2.101 178.702 176.600 0.002 0.000 0.982 343 E CA 0.638 57.039 56.400 0.001 0.000 0.809 343 E CB -0.273 29.429 29.700 0.003 0.000 0.756 343 E HN 0.594 nan 8.360 nan 0.000 0.459 344 G N 0.939 109.739 108.800 -0.001 0.000 2.408 344 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 344 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 344 G C 1.711 176.612 174.900 0.001 0.000 1.150 344 G CA 1.119 46.220 45.100 0.001 0.000 0.776 344 G HN 0.379 nan 8.290 nan 0.000 0.542 345 S N 0.386 116.085 115.700 -0.003 0.000 2.414 345 S HA -0.084 4.387 4.470 0.001 0.000 0.227 345 S C 1.849 176.450 174.600 0.001 0.000 1.022 345 S CA 1.518 59.717 58.200 -0.003 0.000 0.958 345 S CB -0.181 63.013 63.200 -0.010 0.000 0.797 345 S HN 0.257 nan 8.310 nan 0.000 0.493 346 D N 1.491 121.891 120.400 0.000 0.000 2.123 346 D HA -0.086 4.555 4.640 0.001 0.000 0.196 346 D C 1.807 178.111 176.300 0.007 0.000 0.992 346 D CA 1.320 55.322 54.000 0.003 0.000 0.833 346 D CB -0.324 40.478 40.800 0.003 0.000 0.954 346 D HN 0.320 nan 8.370 nan 0.000 0.455 347 V N 0.526 120.445 119.914 0.008 0.000 2.379 347 V HA -0.099 4.022 4.120 0.001 0.000 0.245 347 V C 2.557 178.658 176.094 0.011 0.000 1.044 347 V CA 1.553 63.858 62.300 0.010 0.000 1.036 347 V CB -0.812 31.019 31.823 0.013 0.000 0.664 347 V HN 0.296 nan 8.190 nan 0.000 0.453 348 A N 0.343 123.170 122.820 0.012 0.000 1.933 348 A HA -0.224 4.097 4.320 0.001 0.000 0.218 348 A C 2.026 179.623 177.584 0.021 0.000 1.175 348 A CA 1.968 54.014 52.037 0.016 0.000 0.628 348 A CB -0.615 18.393 19.000 0.014 0.000 0.814 348 A HN 0.573 nan 8.150 nan 0.000 0.444 349 N N -0.055 118.657 118.700 0.019 0.000 2.459 349 N HA 0.012 4.753 4.740 0.001 0.000 0.181 349 N C 1.703 177.225 175.510 0.020 0.000 1.046 349 N CA 1.096 54.161 53.050 0.025 0.000 0.904 349 N CB -0.215 38.286 38.487 0.024 0.000 0.964 349 N HN 0.501 nan 8.380 nan 0.000 0.444 350 A N 0.279 123.106 122.820 0.012 0.000 1.930 350 A HA 0.019 4.340 4.320 0.001 0.000 0.215 350 A C 2.407 179.992 177.584 0.002 0.000 1.176 350 A CA 0.680 52.718 52.037 0.002 0.000 0.632 350 A CB -0.389 18.608 19.000 -0.004 0.000 0.819 350 A HN 0.060 nan 8.150 nan 0.000 0.445 351 V N -0.073 119.847 119.914 0.010 0.000 2.307 351 V HA -0.173 3.948 4.120 0.001 0.000 0.245 351 V C 2.445 178.550 176.094 0.018 0.000 1.045 351 V CA 1.524 63.834 62.300 0.016 0.000 1.024 351 V CB -0.662 31.174 31.823 0.021 0.000 0.651 351 V HN 0.450 nan 8.190 nan 0.000 0.449 352 L N 0.038 121.276 121.223 0.025 0.000 2.083 352 L HA -0.148 4.192 4.340 0.001 0.000 0.209 352 L C 2.122 178.999 176.870 0.013 0.000 1.083 352 L CA 1.809 56.668 54.840 0.033 0.000 0.752 352 L CB -1.317 40.778 42.059 0.060 0.000 0.899 352 L HN 0.352 nan 8.230 nan 0.000 0.433 353 D N -0.585 119.819 120.400 0.007 0.000 2.264 353 D HA -0.012 4.629 4.640 0.001 0.000 0.208 353 D C 1.706 177.993 176.300 -0.022 0.000 0.966 353 D CA 1.253 55.247 54.000 -0.010 0.000 0.864 353 D CB 0.182 40.976 40.800 -0.009 0.000 0.933 353 D HN 0.448 nan 8.370 nan 0.000 0.499 354 G N -0.328 108.465 108.800 -0.013 0.000 2.168 354 G HA2 -0.132 3.829 3.960 0.001 0.000 0.197 354 G HA3 -0.132 3.829 3.960 0.001 0.000 0.197 354 G C 0.446 175.339 174.900 -0.013 0.000 0.997 354 G CA 0.121 45.214 45.100 -0.011 0.000 0.658 354 G HN 0.553 nan 8.290 nan 0.000 0.513 355 A N 0.414 123.223 122.820 -0.018 0.000 2.546 355 A HA 0.448 4.769 4.320 0.001 0.000 0.243 355 A C 1.296 178.868 177.584 -0.019 0.000 1.063 355 A CA 1.088 53.108 52.037 -0.028 0.000 0.757 355 A CB 0.235 19.218 19.000 -0.030 0.000 0.991 355 A HN 0.275 nan 8.150 nan 0.000 0.503 356 D N 0.773 121.151 120.400 -0.038 0.000 2.123 356 D HA -0.021 4.620 4.640 0.001 0.000 0.200 356 D C 0.170 176.461 176.300 -0.015 0.000 0.976 356 D CA 1.362 55.345 54.000 -0.029 0.000 0.831 356 D CB 0.121 40.868 40.800 -0.088 0.000 0.974 356 D HN 0.574 nan 8.370 nan 0.000 0.469 357 C N 0.674 119.952 119.300 -0.036 0.000 2.634 357 C HA 0.638 5.099 4.460 0.001 0.000 0.313 357 C C 0.074 175.047 174.990 -0.029 0.000 1.198 357 C CA -1.051 57.956 59.018 -0.019 0.000 1.605 357 C CB 1.693 29.419 27.740 -0.025 0.000 2.196 357 C HN 0.184 nan 8.230 nan 0.000 0.486 358 I N 0.135 120.700 120.570 -0.009 0.000 2.846 358 I HA 0.776 4.947 4.170 0.001 0.000 0.307 358 I C -0.835 175.282 176.117 0.000 0.000 1.053 358 I CA -0.840 60.454 61.300 -0.010 0.000 1.050 358 I CB 1.743 39.745 38.000 0.002 0.000 1.239 358 I HN 0.629 nan 8.210 nan 0.000 0.439 359 M N 4.352 123.951 119.600 -0.002 0.000 2.591 359 M HA 0.593 5.074 4.480 0.001 0.000 0.306 359 M C -1.976 174.341 176.300 0.029 0.000 1.190 359 M CA -0.839 54.471 55.300 0.016 0.000 0.889 359 M CB 2.757 35.355 32.600 -0.003 0.000 1.728 359 M HN 0.614 nan 8.290 nan 0.000 0.458 360 L N 1.969 123.219 121.223 0.046 0.000 2.356 360 L HA 0.478 4.818 4.340 0.001 0.000 0.277 360 L C -0.180 176.727 176.870 0.062 0.000 0.996 360 L CA -0.193 54.678 54.840 0.052 0.000 0.822 360 L CB 2.120 44.213 42.059 0.057 0.000 1.256 360 L HN 0.822 nan 8.230 nan 0.000 0.413 361 S N 1.199 116.935 115.700 0.060 0.000 3.169 361 S HA 0.138 4.609 4.470 0.001 0.000 0.174 361 S C 1.604 176.249 174.600 0.075 0.000 0.696 361 S CA 0.439 58.682 58.200 0.071 0.000 0.819 361 S CB -0.224 63.014 63.200 0.062 0.000 0.867 361 S HN 0.812 nan 8.310 nan 0.000 0.680 362 G N 1.461 110.303 108.800 0.071 0.000 2.432 362 G HA2 -0.162 3.798 3.960 0.001 0.000 0.219 362 G HA3 -0.162 3.798 3.960 0.001 0.000 0.219 362 G C 1.022 175.965 174.900 0.071 0.000 1.135 362 G CA 0.967 46.110 45.100 0.072 0.000 0.767 362 G HN 0.510 nan 8.290 nan 0.000 0.550 363 E N 0.118 120.361 120.200 0.071 0.000 2.209 363 E HA -0.090 4.260 4.350 0.001 0.000 0.196 363 E C 2.656 179.304 176.600 0.080 0.000 0.993 363 E CA 1.764 58.212 56.400 0.080 0.000 0.819 363 E CB -0.160 29.585 29.700 0.075 0.000 0.745 363 E HN 0.635 nan 8.360 nan 0.000 0.477 364 T N -3.335 111.263 114.554 0.073 0.000 2.999 364 T HA 0.388 4.739 4.350 0.001 0.000 0.247 364 T C 2.020 176.761 174.700 0.068 0.000 1.012 364 T CA 0.202 62.343 62.100 0.068 0.000 1.048 364 T CB -0.115 68.793 68.868 0.067 0.000 1.020 364 T HN 0.114 nan 8.240 nan 0.000 0.478 365 A N 3.589 126.455 122.820 0.077 0.000 1.851 365 A HA -0.036 4.285 4.320 0.001 0.000 0.216 365 A C 1.902 179.530 177.584 0.074 0.000 1.195 365 A CA 1.731 53.821 52.037 0.087 0.000 0.622 365 A CB -0.394 18.666 19.000 0.100 0.000 0.831 365 A HN 0.717 nan 8.150 nan 0.000 0.444 366 K N -1.338 119.098 120.400 0.061 0.000 2.895 366 K HA 0.351 4.672 4.320 0.001 0.000 0.200 366 K C 0.297 176.915 176.600 0.031 0.000 1.133 366 K CA 0.153 56.466 56.287 0.042 0.000 1.060 366 K CB 0.177 32.700 32.500 0.037 0.000 0.735 366 K HN 0.299 nan 8.250 nan 0.000 0.451 367 G N 0.571 109.393 108.800 0.037 0.000 2.477 367 G HA2 0.159 4.120 3.960 0.001 0.000 0.304 367 G HA3 0.159 4.120 3.960 0.001 0.000 0.304 367 G C -0.315 174.572 174.900 -0.022 0.000 1.175 367 G CA -0.376 44.746 45.100 0.038 0.000 0.907 367 G HN -0.030 nan 8.290 nan 0.000 0.509 368 D N -0.987 119.368 120.400 -0.074 0.000 2.194 368 D HA -0.010 4.631 4.640 0.001 0.000 0.204 368 D C 0.300 176.263 176.300 -0.561 0.000 0.964 368 D CA 1.214 55.012 54.000 -0.338 0.000 0.846 368 D CB 0.048 40.550 40.800 -0.495 0.000 0.962 368 D HN 0.400 nan 8.370 nan 0.000 0.490 369 Y N -0.849 119.466 120.300 0.025 0.000 2.724 369 Y HA 0.282 4.833 4.550 0.001 0.000 0.370 369 Y C -1.703 174.214 175.900 0.028 0.000 0.978 369 Y CA -2.019 56.096 58.100 0.025 0.000 1.443 369 Y CB 0.785 39.259 38.460 0.024 0.000 1.386 369 Y HN -0.020 nan 8.280 nan 0.000 0.557 370 P HA -0.249 nan 4.420 nan 0.000 0.216 370 P C 1.514 178.864 177.300 0.084 0.000 1.167 370 P CA 1.508 64.653 63.100 0.074 0.000 0.914 370 P CB 0.361 32.086 31.700 0.042 0.000 0.793 371 L N -0.994 120.275 121.223 0.078 0.000 2.093 371 L HA -0.156 4.185 4.340 0.001 0.000 0.208 371 L C 2.231 179.149 176.870 0.082 0.000 1.085 371 L CA 1.843 56.725 54.840 0.070 0.000 0.755 371 L CB -1.647 40.446 42.059 0.058 0.000 0.904 371 L HN -0.067 nan 8.230 nan 0.000 0.435 372 E N -0.448 119.825 120.200 0.121 0.000 2.077 372 E HA -0.156 4.195 4.350 0.001 0.000 0.193 372 E C 2.336 178.987 176.600 0.085 0.000 0.989 372 E CA 1.283 57.749 56.400 0.109 0.000 0.800 372 E CB -0.445 29.343 29.700 0.147 0.000 0.746 372 E HN 0.445 nan 8.360 nan 0.000 0.452 373 A N 0.513 123.394 122.820 0.102 0.000 1.877 373 A HA -0.176 4.145 4.320 0.001 0.000 0.216 373 A C 2.477 180.105 177.584 0.073 0.000 1.186 373 A CA 1.536 53.622 52.037 0.081 0.000 0.620 373 A CB -0.827 18.227 19.000 0.091 0.000 0.822 373 A HN 0.147 nan 8.150 nan 0.000 0.443 374 V N 0.173 120.131 119.914 0.073 0.000 2.255 374 V HA -0.278 3.843 4.120 0.001 0.000 0.247 374 V C 2.665 178.812 176.094 0.088 0.000 1.051 374 V CA 2.335 64.677 62.300 0.070 0.000 1.018 374 V CB -0.819 31.035 31.823 0.052 0.000 0.641 374 V HN 0.652 nan 8.190 nan 0.000 0.445 375 R N -0.874 119.667 120.500 0.069 0.000 2.152 375 R HA -0.184 4.157 4.340 0.001 0.000 0.232 375 R C 2.169 178.547 176.300 0.130 0.000 1.117 375 R CA 1.797 57.942 56.100 0.076 0.000 0.981 375 R CB -0.189 30.128 30.300 0.029 0.000 0.870 375 R HN 0.447 nan 8.270 nan 0.000 0.451 376 M N 0.627 120.282 119.600 0.093 0.000 2.123 376 M HA -0.115 4.366 4.480 0.001 0.000 0.263 376 M C 2.015 178.366 176.300 0.084 0.000 1.069 376 M CA 1.686 57.032 55.300 0.077 0.000 1.133 376 M CB -0.075 32.553 32.600 0.047 0.000 1.356 376 M HN 0.063 nan 8.290 nan 0.000 0.415 377 Q N -1.325 118.526 119.800 0.085 0.000 2.096 377 Q HA -0.284 4.057 4.340 0.001 0.000 0.204 377 Q C 2.100 178.152 176.000 0.086 0.000 0.982 377 Q CA 2.189 58.035 55.803 0.072 0.000 0.850 377 Q CB -0.523 28.255 28.738 0.067 0.000 0.901 377 Q HN 0.721 nan 8.270 nan 0.000 0.422 378 H N 0.107 119.198 119.070 0.036 0.000 2.290 378 H HA -0.172 4.384 4.556 0.001 0.000 0.298 378 H C 1.818 177.171 175.328 0.041 0.000 1.087 378 H CA 1.558 57.631 56.048 0.042 0.000 1.291 378 H CB -0.011 29.778 29.762 0.045 0.000 1.369 378 H HN 0.084 nan 8.280 nan 0.000 0.492 379 L N 0.388 121.691 121.223 0.134 0.000 1.970 379 L HA -0.150 4.191 4.340 0.001 0.000 0.212 379 L C 2.609 179.480 176.870 0.002 0.000 1.071 379 L CA 1.661 56.546 54.840 0.075 0.000 0.751 379 L CB -0.999 41.123 42.059 0.105 0.000 0.889 379 L HN 0.455 nan 8.230 nan 0.000 0.432 380 I N -0.968 119.611 120.570 0.015 0.000 2.127 380 I HA -0.333 3.838 4.170 0.001 0.000 0.241 380 I C 2.609 178.720 176.117 -0.011 0.000 1.075 380 I CA 1.280 62.584 61.300 0.006 0.000 1.334 380 I CB -0.657 37.352 38.000 0.015 0.000 1.040 380 I HN 0.246 nan 8.210 nan 0.000 0.405 381 A N 0.802 123.608 122.820 -0.024 0.000 1.873 381 A HA -0.278 4.043 4.320 0.001 0.000 0.218 381 A C 2.446 179.999 177.584 -0.051 0.000 1.193 381 A CA 1.909 53.926 52.037 -0.033 0.000 0.629 381 A CB -0.790 18.185 19.000 -0.041 0.000 0.826 381 A HN 0.307 nan 8.150 nan 0.000 0.447 382 R N -1.044 119.386 120.500 -0.118 0.000 2.117 382 R HA -0.212 4.129 4.340 0.001 0.000 0.243 382 R C 2.221 178.504 176.300 -0.028 0.000 1.143 382 R CA 1.963 58.000 56.100 -0.104 0.000 0.968 382 R CB -0.216 29.983 30.300 -0.167 0.000 0.863 382 R HN 0.719 nan 8.270 nan 0.000 0.444 383 E N -0.441 119.751 120.200 -0.014 0.000 2.112 383 E HA -0.024 4.327 4.350 0.001 0.000 0.190 383 E C 1.704 178.322 176.600 0.029 0.000 0.979 383 E CA 0.998 57.405 56.400 0.011 0.000 0.814 383 E CB 0.058 29.763 29.700 0.009 0.000 0.762 383 E HN 0.348 nan 8.360 nan 0.000 0.460 384 A N 0.659 123.494 122.820 0.026 0.000 1.929 384 A HA -0.165 4.156 4.320 0.001 0.000 0.216 384 A C 1.879 179.499 177.584 0.061 0.000 1.176 384 A CA 1.417 53.478 52.037 0.041 0.000 0.628 384 A CB -0.446 18.572 19.000 0.030 0.000 0.816 384 A HN 0.246 nan 8.150 nan 0.000 0.444 385 E N -0.110 120.126 120.200 0.060 0.000 2.160 385 E HA -0.130 4.221 4.350 0.001 0.000 0.195 385 E C 2.126 178.830 176.600 0.173 0.000 0.991 385 E CA 1.002 57.462 56.400 0.100 0.000 0.810 385 E CB -0.241 29.506 29.700 0.079 0.000 0.742 385 E HN 0.639 nan 8.360 nan 0.000 0.466 386 A N 1.004 123.907 122.820 0.137 0.000 2.016 386 A HA 0.125 4.445 4.320 0.001 0.000 0.217 386 A C 2.203 179.903 177.584 0.194 0.000 1.162 386 A CA 1.044 53.186 52.037 0.174 0.000 0.662 386 A CB -0.121 18.940 19.000 0.102 0.000 0.812 386 A HN 0.243 nan 8.150 nan 0.000 0.450 387 A N -0.760 122.146 122.820 0.142 0.000 2.238 387 A HA 0.405 4.725 4.320 0.001 0.000 0.208 387 A C 1.026 178.769 177.584 0.265 0.000 1.177 387 A CA -0.119 52.016 52.037 0.164 0.000 0.804 387 A CB -0.535 18.518 19.000 0.089 0.000 0.823 387 A HN 0.548 nan 8.150 nan 0.000 0.482 388 M N -1.213 118.450 119.600 0.104 0.000 2.198 388 M HA 0.207 4.688 4.480 0.001 0.000 0.315 388 M C -0.139 176.059 176.300 -0.169 0.000 1.134 388 M CA 0.076 55.316 55.300 -0.100 0.000 1.171 388 M CB 0.315 32.657 32.600 -0.430 0.000 1.413 388 M HN 0.268 nan 8.290 nan 0.000 0.467 389 F N 2.263 121.938 119.950 -0.459 0.000 2.387 389 F HA 0.264 4.792 4.527 0.001 0.000 0.332 389 F C 1.143 176.750 175.800 -0.321 0.000 1.174 389 F CA -0.779 56.901 58.000 -0.534 0.000 1.257 389 F CB -0.776 37.904 39.000 -0.533 0.000 1.569 389 F HN 0.557 nan 8.300 nan 0.000 0.554 390 H N 1.611 120.686 119.070 0.009 0.000 2.321 390 H HA -0.232 4.325 4.556 0.001 0.000 0.295 390 H C 2.354 177.535 175.328 -0.244 0.000 1.102 390 H CA 2.032 58.022 56.048 -0.097 0.000 1.266 390 H CB 0.007 29.657 29.762 -0.186 0.000 1.363 390 H HN 0.466 nan 8.280 nan 0.000 0.492 391 R N 1.381 121.712 120.500 -0.283 0.000 2.097 391 R HA -0.166 4.175 4.340 0.001 0.000 0.236 391 R C 2.433 178.553 176.300 -0.299 0.000 1.135 391 R CA 1.987 57.899 56.100 -0.313 0.000 0.934 391 R CB -0.139 29.985 30.300 -0.293 0.000 0.846 391 R HN 0.216 nan 8.270 nan 0.000 0.431 392 K N 0.438 120.425 120.400 -0.689 0.000 2.057 392 K HA -0.116 4.205 4.320 0.001 0.000 0.207 392 K C 2.245 178.677 176.600 -0.280 0.000 1.049 392 K CA 1.185 57.112 56.287 -0.600 0.000 0.931 392 K CB -0.146 31.716 32.500 -1.063 0.000 0.714 392 K HN 0.271 nan 8.250 nan 0.000 0.440 393 L N 0.374 121.469 121.223 -0.214 0.000 2.046 393 L HA -0.182 4.159 4.340 0.001 0.000 0.208 393 L C 2.245 179.162 176.870 0.080 0.000 1.077 393 L CA 1.451 56.255 54.840 -0.061 0.000 0.747 393 L CB -0.318 41.721 42.059 -0.032 0.000 0.896 393 L HN 0.216 nan 8.230 nan 0.000 0.432 394 F N 1.036 121.004 119.950 0.029 0.000 2.146 394 F HA -0.197 4.331 4.527 0.001 0.000 0.298 394 F C 2.348 178.204 175.800 0.093 0.000 1.096 394 F CA 1.627 59.723 58.000 0.159 0.000 1.275 394 F CB -0.096 39.104 39.000 0.333 0.000 1.008 394 F HN 0.117 nan 8.300 nan 0.000 0.480 395 E N 0.125 120.360 120.200 0.058 0.000 2.031 395 E HA -0.227 4.123 4.350 0.001 0.000 0.193 395 E C 2.091 178.623 176.600 -0.112 0.000 0.994 395 E CA 1.677 58.039 56.400 -0.064 0.000 0.800 395 E CB -0.314 29.358 29.700 -0.046 0.000 0.752 395 E HN 0.564 nan 8.360 nan 0.000 0.447 396 E N 0.584 120.729 120.200 -0.093 0.000 2.153 396 E HA -0.164 4.186 4.350 0.001 0.000 0.194 396 E C 2.250 178.796 176.600 -0.090 0.000 0.988 396 E CA 0.659 57.005 56.400 -0.091 0.000 0.811 396 E CB -0.043 29.600 29.700 -0.095 0.000 0.746 396 E HN 0.288 nan 8.360 nan 0.000 0.466 397 L N 0.457 121.626 121.223 -0.089 0.000 2.072 397 L HA -0.124 4.216 4.340 0.001 0.000 0.205 397 L C 2.529 179.355 176.870 -0.074 0.000 1.079 397 L CA 0.515 55.299 54.840 -0.093 0.000 0.752 397 L CB -0.287 41.725 42.059 -0.078 0.000 0.906 397 L HN 0.015 nan 8.230 nan 0.000 0.436 398 V N 0.003 119.815 119.914 -0.171 0.000 2.332 398 V HA -0.334 3.787 4.120 0.001 0.000 0.248 398 V C 2.659 178.666 176.094 -0.144 0.000 1.055 398 V CA 1.863 64.041 62.300 -0.203 0.000 1.038 398 V CB -0.558 30.997 31.823 -0.447 0.000 0.651 398 V HN 0.408 nan 8.190 nan 0.000 0.450 399 R N -0.362 120.057 120.500 -0.136 0.000 2.092 399 R HA -0.098 4.242 4.340 0.001 0.000 0.231 399 R C 2.376 178.599 176.300 -0.128 0.000 1.119 399 R CA 1.306 57.335 56.100 -0.118 0.000 0.970 399 R CB -0.661 29.586 30.300 -0.088 0.000 0.864 399 R HN 0.594 nan 8.270 nan 0.000 0.440 400 G N -0.759 107.978 108.800 -0.106 0.000 2.442 400 G HA2 -0.225 3.735 3.960 0.001 0.000 0.219 400 G HA3 -0.225 3.735 3.960 0.001 0.000 0.219 400 G C 1.287 176.071 174.900 -0.194 0.000 1.141 400 G CA 0.921 45.969 45.100 -0.085 0.000 0.763 400 G HN 0.288 nan 8.290 nan 0.000 0.554 401 S N 0.629 116.205 115.700 -0.207 0.000 2.489 401 S HA 0.034 4.505 4.470 0.001 0.000 0.228 401 S C 2.441 176.736 174.600 -0.508 0.000 0.995 401 S CA 0.757 58.793 58.200 -0.273 0.000 0.934 401 S CB -0.053 63.137 63.200 -0.016 0.000 0.771 401 S HN 0.362 nan 8.310 nan 0.000 0.522 402 S N 1.774 117.205 115.700 -0.449 0.000 2.574 402 S HA -0.332 4.139 4.470 0.001 0.000 0.307 402 S C 1.456 175.895 174.600 -0.269 0.000 1.244 402 S CA 2.434 60.434 58.200 -0.333 0.000 1.144 402 S CB -0.684 62.374 63.200 -0.238 0.000 1.130 402 S HN 0.907 nan 8.310 nan 0.000 0.444 403 H N -0.352 118.710 119.070 -0.013 0.000 2.521 403 H HA 0.370 4.926 4.556 0.001 0.000 0.286 403 H C 1.170 176.490 175.328 -0.013 0.000 1.034 403 H CA 0.781 56.821 56.048 -0.013 0.000 1.278 403 H CB -0.182 29.573 29.762 -0.012 0.000 1.386 403 H HN 0.225 nan 8.280 nan 0.000 0.567 404 S N -0.062 115.642 115.700 0.008 0.000 2.585 404 S HA 0.229 4.700 4.470 0.001 0.000 0.277 404 S C 0.724 175.311 174.600 -0.022 0.000 1.241 404 S CA -0.589 57.621 58.200 0.016 0.000 1.041 404 S CB 0.993 64.208 63.200 0.024 0.000 0.987 404 S HN 0.377 nan 8.310 nan 0.000 0.512 405 T N 2.745 117.286 114.554 -0.022 0.000 3.145 405 T HA 0.175 4.526 4.350 0.001 0.000 0.281 405 T C -0.241 174.425 174.700 -0.057 0.000 1.003 405 T CA -0.345 61.732 62.100 -0.038 0.000 0.901 405 T CB -0.258 68.594 68.868 -0.027 0.000 1.112 405 T HN 0.766 nan 8.240 nan 0.000 0.535 406 D N 1.279 121.643 120.400 -0.061 0.000 2.531 406 D HA 0.010 4.651 4.640 0.001 0.000 0.239 406 D C 1.181 177.391 176.300 -0.149 0.000 1.144 406 D CA -0.115 53.822 54.000 -0.104 0.000 0.869 406 D CB 0.525 41.278 40.800 -0.078 0.000 1.160 406 D HN -0.119 nan 8.370 nan 0.000 0.484 407 L N 4.002 125.073 121.223 -0.254 0.000 2.056 407 L HA -0.092 4.249 4.340 0.001 0.000 0.207 407 L C 2.098 178.771 176.870 -0.327 0.000 1.078 407 L CA 1.376 56.031 54.840 -0.308 0.000 0.749 407 L CB -0.780 41.021 42.059 -0.429 0.000 0.901 407 L HN 0.674 nan 8.230 nan 0.000 0.433 408 M N -0.638 118.657 119.600 -0.508 0.000 2.175 408 M HA -0.144 4.337 4.480 0.001 0.000 0.264 408 M C 2.125 178.410 176.300 -0.025 0.000 1.063 408 M CA 1.521 56.715 55.300 -0.176 0.000 1.119 408 M CB -0.378 32.138 32.600 -0.140 0.000 1.377 408 M HN 0.236 nan 8.290 nan 0.000 0.415 409 E N -0.511 119.661 120.200 -0.047 0.000 2.077 409 E HA -0.177 4.174 4.350 0.001 0.000 0.193 409 E C 1.919 178.454 176.600 -0.108 0.000 0.989 409 E CA 1.280 57.687 56.400 0.011 0.000 0.800 409 E CB -0.206 29.513 29.700 0.033 0.000 0.746 409 E HN 0.642 nan 8.360 nan 0.000 0.452 410 A N 0.896 123.660 122.820 -0.094 0.000 1.873 410 A HA -0.193 4.128 4.320 0.001 0.000 0.215 410 A C 2.119 179.678 177.584 -0.041 0.000 1.186 410 A CA 1.259 53.243 52.037 -0.088 0.000 0.616 410 A CB -0.330 18.639 19.000 -0.052 0.000 0.823 410 A HN 0.144 nan 8.150 nan 0.000 0.442 411 M N -0.223 119.397 119.600 0.033 0.000 2.108 411 M HA -0.167 4.314 4.480 0.001 0.000 0.261 411 M C 2.510 178.827 176.300 0.028 0.000 1.066 411 M CA 1.674 57.017 55.300 0.073 0.000 1.107 411 M CB -1.586 31.127 32.600 0.189 0.000 1.356 411 M HN 0.504 nan 8.290 nan 0.000 0.406 412 A N 0.015 122.850 122.820 0.024 0.000 1.858 412 A HA -0.186 4.135 4.320 0.001 0.000 0.216 412 A C 2.267 179.829 177.584 -0.036 0.000 1.190 412 A CA 1.859 53.920 52.037 0.039 0.000 0.617 412 A CB -0.636 18.449 19.000 0.143 0.000 0.827 412 A HN 0.476 nan 8.150 nan 0.000 0.443 413 M N -0.640 118.822 119.600 -0.229 0.000 2.080 413 M HA -0.123 4.358 4.480 0.001 0.000 0.260 413 M C 2.323 178.652 176.300 0.049 0.000 1.068 413 M CA 1.525 56.723 55.300 -0.170 0.000 1.109 413 M CB -0.642 31.707 32.600 -0.420 0.000 1.342 413 M HN 0.537 nan 8.290 nan 0.000 0.405 414 G N -0.614 108.171 108.800 -0.025 0.000 2.421 414 G HA2 -0.193 3.768 3.960 0.001 0.000 0.216 414 G HA3 -0.193 3.768 3.960 0.001 0.000 0.216 414 G C 1.574 176.442 174.900 -0.054 0.000 1.171 414 G CA 1.207 46.297 45.100 -0.018 0.000 0.775 414 G HN 0.445 nan 8.290 nan 0.000 0.543 415 S N 0.107 115.773 115.700 -0.057 0.000 2.348 415 S HA -0.116 4.355 4.470 0.001 0.000 0.221 415 S C 2.490 176.986 174.600 -0.174 0.000 1.033 415 S CA 1.266 59.417 58.200 -0.083 0.000 1.010 415 S CB -0.393 62.780 63.200 -0.046 0.000 0.891 415 S HN 0.172 nan 8.310 nan 0.000 0.442 416 V N 1.858 121.642 119.914 -0.218 0.000 2.490 416 V HA -0.145 3.976 4.120 0.001 0.000 0.250 416 V C 2.544 178.134 176.094 -0.839 0.000 1.061 416 V CA 1.932 63.933 62.300 -0.499 0.000 1.064 416 V CB -0.695 30.903 31.823 -0.375 0.000 0.670 416 V HN 0.390 nan 8.190 nan 0.000 0.461 417 E N 1.015 120.898 120.200 -0.529 0.000 2.072 417 E HA -0.108 4.242 4.350 0.001 0.000 0.190 417 E C 2.160 178.643 176.600 -0.195 0.000 0.982 417 E CA 1.557 57.736 56.400 -0.369 0.000 0.803 417 E CB -0.496 29.161 29.700 -0.071 0.000 0.755 417 E HN 0.465 nan 8.360 nan 0.000 0.453 418 A N 0.472 123.199 122.820 -0.156 0.000 1.902 418 A HA -0.201 4.120 4.320 0.001 0.000 0.217 418 A C 2.425 179.942 177.584 -0.112 0.000 1.181 418 A CA 2.465 54.443 52.037 -0.098 0.000 0.623 418 A CB -1.151 17.801 19.000 -0.079 0.000 0.818 418 A HN 0.444 nan 8.150 nan 0.000 0.443 419 S N -1.332 114.253 115.700 -0.191 0.000 2.383 419 S HA -0.225 4.246 4.470 0.001 0.000 0.229 419 S C 1.917 176.458 174.600 -0.098 0.000 1.030 419 S CA 1.589 59.684 58.200 -0.175 0.000 1.002 419 S CB -0.788 62.261 63.200 -0.252 0.000 0.829 419 S HN 0.496 nan 8.310 nan 0.000 0.467 420 Y N 2.278 122.485 120.300 -0.155 0.000 2.145 420 Y HA 0.052 4.603 4.550 0.001 0.000 0.286 420 Y C 2.684 178.531 175.900 -0.088 0.000 1.145 420 Y CA 1.105 59.118 58.100 -0.145 0.000 1.148 420 Y CB -1.042 37.300 38.460 -0.197 0.000 0.981 420 Y HN 0.300 nan 8.280 nan 0.000 0.507 421 K N 0.614 121.065 120.400 0.085 0.000 1.985 421 K HA -0.148 4.173 4.320 0.001 0.000 0.210 421 K C 2.176 178.790 176.600 0.023 0.000 1.047 421 K CA 1.976 58.289 56.287 0.042 0.000 0.932 421 K CB -0.873 31.639 32.500 0.021 0.000 0.716 421 K HN 0.445 nan 8.250 nan 0.000 0.439 422 C N 0.390 119.692 119.300 0.003 0.000 2.576 422 C HA 0.401 4.861 4.460 0.001 0.000 0.267 422 C C 0.551 175.538 174.990 -0.004 0.000 1.364 422 C CA -0.617 58.398 59.018 -0.005 0.000 1.723 422 C CB -1.558 26.169 27.740 -0.020 0.000 1.778 422 C HN 0.526 nan 8.230 nan 0.000 0.572 423 L N 0.249 121.476 121.223 0.006 0.000 3.632 423 L HA -0.197 4.144 4.340 0.001 0.000 0.510 423 L C 0.904 177.766 176.870 -0.012 0.000 1.299 423 L CA 0.272 55.117 54.840 0.008 0.000 0.829 423 L CB -2.377 39.693 42.059 0.018 0.000 1.559 423 L HN 0.659 nan 8.230 nan 0.000 0.857 424 A N 0.355 123.153 122.820 -0.037 0.000 2.483 424 A HA 0.534 4.855 4.320 0.001 0.000 0.238 424 A C 1.426 178.985 177.584 -0.041 0.000 1.070 424 A CA 0.630 52.631 52.037 -0.059 0.000 0.770 424 A CB 0.753 19.703 19.000 -0.085 0.000 1.008 424 A HN 0.784 nan 8.150 nan 0.000 0.497 425 A N 1.379 124.171 122.820 -0.046 0.000 2.119 425 A HA 0.491 4.811 4.320 0.001 0.000 0.216 425 A C 1.092 178.721 177.584 0.075 0.000 1.152 425 A CA 1.778 53.839 52.037 0.040 0.000 0.708 425 A CB -0.484 18.576 19.000 0.100 0.000 0.805 425 A HN 2.491 nan 8.150 nan 0.000 0.460 426 A N -2.391 120.424 122.820 -0.008 0.000 2.456 426 A HA 0.584 4.905 4.320 0.001 0.000 0.294 426 A C -2.103 175.462 177.584 -0.032 0.000 1.057 426 A CA -0.599 51.452 52.037 0.023 0.000 0.623 426 A CB 0.053 19.169 19.000 0.193 0.000 1.338 426 A HN 0.385 nan 8.150 nan 0.000 0.464 427 L N 0.447 121.669 121.223 -0.001 0.000 2.385 427 L HA 0.661 5.002 4.340 0.001 0.000 0.273 427 L C -0.705 176.181 176.870 0.026 0.000 0.990 427 L CA 0.020 54.851 54.840 -0.015 0.000 0.821 427 L CB 1.818 43.864 42.059 -0.022 0.000 1.279 427 L HN 0.602 nan 8.230 nan 0.000 0.412 428 I N 3.376 123.953 120.570 0.012 0.000 2.336 428 I HA 0.509 4.680 4.170 0.001 0.000 0.292 428 I C -0.777 175.353 176.117 0.021 0.000 0.991 428 I CA -0.828 60.493 61.300 0.036 0.000 1.227 428 I CB 1.676 39.691 38.000 0.025 0.000 1.366 428 I HN 0.180 nan 8.210 nan 0.000 0.466 429 V N 7.261 127.192 119.914 0.029 0.000 2.443 429 V HA 0.307 4.428 4.120 0.001 0.000 0.293 429 V C -0.321 175.775 176.094 0.005 0.000 1.021 429 V CA -0.648 61.661 62.300 0.014 0.000 0.848 429 V CB 1.656 33.486 31.823 0.010 0.000 0.998 429 V HN 0.375 nan 8.190 nan 0.000 0.424 430 L N 4.535 125.757 121.223 -0.002 0.000 2.283 430 L HA 0.648 4.989 4.340 0.001 0.000 0.287 430 L C 0.424 177.297 176.870 0.005 0.000 1.073 430 L CA 0.956 55.789 54.840 -0.012 0.000 0.822 430 L CB 1.086 43.119 42.059 -0.044 0.000 1.186 430 L HN 0.829 nan 8.230 nan 0.000 0.436 431 T N 1.565 116.114 114.554 -0.007 0.000 2.900 431 T HA 0.490 4.841 4.350 0.001 0.000 0.303 431 T C 0.303 174.995 174.700 -0.014 0.000 1.142 431 T CA -0.404 61.686 62.100 -0.016 0.000 1.007 431 T CB 1.347 70.172 68.868 -0.072 0.000 1.156 431 T HN 0.587 nan 8.240 nan 0.000 0.490 432 E N 1.104 121.303 120.200 -0.001 0.000 2.357 432 E HA 0.089 4.439 4.350 0.001 0.000 0.202 432 E C 2.060 178.657 176.600 -0.005 0.000 0.855 432 E CA 0.928 57.334 56.400 0.009 0.000 1.048 432 E CB -0.328 29.396 29.700 0.041 0.000 1.037 432 E HN 0.627 nan 8.360 nan 0.000 0.499 433 S N -0.315 115.378 115.700 -0.011 0.000 2.489 433 S HA 0.092 4.563 4.470 0.001 0.000 0.228 433 S C 1.683 176.232 174.600 -0.085 0.000 0.995 433 S CA 1.491 59.681 58.200 -0.015 0.000 0.934 433 S CB 0.165 63.367 63.200 0.004 0.000 0.771 433 S HN 0.347 nan 8.310 nan 0.000 0.522 434 G N 1.591 110.275 108.800 -0.193 0.000 2.253 434 G HA2 -0.345 3.616 3.960 0.001 0.000 0.251 434 G HA3 -0.345 3.616 3.960 0.001 0.000 0.251 434 G C 1.046 175.400 174.900 -0.910 0.000 0.998 434 G CA 0.399 45.191 45.100 -0.513 0.000 0.621 434 G HN 0.533 nan 8.290 nan 0.000 0.524 435 R N 0.829 121.088 120.500 -0.402 0.000 2.113 435 R HA -0.059 4.282 4.340 0.001 0.000 0.244 435 R C 2.854 179.048 176.300 -0.178 0.000 1.142 435 R CA 2.020 57.995 56.100 -0.208 0.000 0.953 435 R CB -0.550 29.737 30.300 -0.021 0.000 0.860 435 R HN 0.415 nan 8.270 nan 0.000 0.438 436 S N 0.234 115.861 115.700 -0.122 0.000 2.370 436 S HA -0.156 4.314 4.470 0.001 0.000 0.226 436 S C 2.027 176.601 174.600 -0.044 0.000 1.033 436 S CA 1.312 59.498 58.200 -0.022 0.000 1.011 436 S CB -0.191 63.033 63.200 0.040 0.000 0.852 436 S HN 0.527 nan 8.310 nan 0.000 0.457 437 A N 1.232 123.964 122.820 -0.146 0.000 1.969 437 A HA -0.119 4.202 4.320 0.001 0.000 0.218 437 A C 1.775 179.336 177.584 -0.039 0.000 1.169 437 A CA 1.320 53.303 52.037 -0.091 0.000 0.635 437 A CB -0.757 18.166 19.000 -0.127 0.000 0.810 437 A HN 0.489 nan 8.150 nan 0.000 0.445 438 H N -0.021 118.934 119.070 -0.192 0.000 2.319 438 H HA -0.105 4.452 4.556 0.001 0.000 0.299 438 H C 2.220 177.502 175.328 -0.076 0.000 1.092 438 H CA 1.724 57.579 56.048 -0.323 0.000 1.302 438 H CB -0.396 29.078 29.762 -0.480 0.000 1.373 438 H HN 0.425 nan 8.280 nan 0.000 0.497 439 Q N 0.385 120.257 119.800 0.120 0.000 2.124 439 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 439 Q C 2.685 178.819 176.000 0.224 0.000 0.977 439 Q CA 0.833 56.735 55.803 0.164 0.000 0.850 439 Q CB -0.625 28.204 28.738 0.151 0.000 0.901 439 Q HN 0.316 nan 8.270 nan 0.000 0.429 440 V N 1.036 121.047 119.914 0.163 0.000 2.358 440 V HA -0.215 3.906 4.120 0.001 0.000 0.246 440 V C 2.367 178.564 176.094 0.172 0.000 1.047 440 V CA 1.693 64.091 62.300 0.164 0.000 1.035 440 V CB -1.166 30.709 31.823 0.087 0.000 0.658 440 V HN 0.307 nan 8.190 nan 0.000 0.452 441 A N 1.167 124.073 122.820 0.144 0.000 2.019 441 A HA -0.246 4.074 4.320 0.001 0.000 0.219 441 A C 2.337 180.004 177.584 0.138 0.000 1.164 441 A CA 2.011 54.139 52.037 0.151 0.000 0.644 441 A CB -0.543 18.571 19.000 0.190 0.000 0.805 441 A HN 0.687 nan 8.150 nan 0.000 0.449 442 R N -2.038 118.525 120.500 0.105 0.000 2.148 442 R HA -0.083 4.257 4.340 0.001 0.000 0.227 442 R C 0.870 177.042 176.300 -0.212 0.000 1.103 442 R CA 1.539 57.609 56.100 -0.050 0.000 0.983 442 R CB -0.580 29.654 30.300 -0.109 0.000 0.874 442 R HN 0.440 nan 8.270 nan 0.000 0.451 443 Y N 1.570 121.969 120.300 0.164 0.000 2.495 443 Y HA 0.306 4.857 4.550 0.001 0.000 0.293 443 Y C -0.137 175.966 175.900 0.339 0.000 1.186 443 Y CA -0.351 57.915 58.100 0.277 0.000 1.266 443 Y CB 0.327 39.018 38.460 0.384 0.000 1.101 443 Y HN -0.053 nan 8.280 nan 0.000 0.517 444 R N -0.144 120.520 120.500 0.272 0.000 3.092 444 R HA -0.171 4.170 4.340 0.001 0.000 0.245 444 R C -2.827 173.642 176.300 0.282 0.000 0.881 444 R CA 0.200 56.464 56.100 0.274 0.000 0.614 444 R CB -1.979 28.495 30.300 0.292 0.000 1.128 444 R HN 0.317 nan 8.270 nan 0.000 0.483 445 P HA 0.013 nan 4.420 nan 0.000 0.271 445 P C 0.538 177.838 177.300 -0.000 0.000 1.244 445 P CA -0.211 62.812 63.100 -0.127 0.000 0.793 445 P CB 0.620 32.230 31.700 -0.149 0.000 0.984 446 R N 0.325 120.772 120.500 -0.087 0.000 2.189 446 R HA 0.194 4.535 4.340 0.001 0.000 0.203 446 R C 0.707 176.955 176.300 -0.087 0.000 1.012 446 R CA 0.196 56.175 56.100 -0.201 0.000 1.015 446 R CB -0.013 30.084 30.300 -0.340 0.000 0.938 446 R HN 0.570 nan 8.270 nan 0.000 0.472 447 A N 2.448 125.220 122.820 -0.079 0.000 2.286 447 A HA 0.489 4.810 4.320 0.001 0.000 0.286 447 A C -2.350 175.195 177.584 -0.065 0.000 1.097 447 A CA -1.790 50.206 52.037 -0.069 0.000 0.821 447 A CB 0.369 19.333 19.000 -0.059 0.000 1.076 447 A HN 0.177 nan 8.150 nan 0.000 0.490 448 P HA 0.208 nan 4.420 nan 0.000 0.269 448 P C -0.910 176.387 177.300 -0.005 0.000 1.215 448 P CA 0.329 63.365 63.100 -0.107 0.000 0.780 448 P CB 0.521 32.015 31.700 -0.344 0.000 0.898 449 I N 2.718 123.321 120.570 0.055 0.000 2.371 449 I HA 0.301 4.471 4.170 0.001 0.000 0.282 449 I C 0.553 176.764 176.117 0.157 0.000 1.031 449 I CA -0.664 60.688 61.300 0.086 0.000 1.180 449 I CB 0.656 38.706 38.000 0.084 0.000 1.336 449 I HN 0.111 nan 8.210 nan 0.000 0.467 450 I N 5.883 126.561 120.570 0.180 0.000 2.363 450 I HA 0.277 4.448 4.170 0.001 0.000 0.292 450 I C 0.680 176.895 176.117 0.164 0.000 1.075 450 I CA -0.066 61.390 61.300 0.260 0.000 1.333 450 I CB 0.890 39.057 38.000 0.279 0.000 1.415 450 I HN 0.593 nan 8.210 nan 0.000 0.502 451 A N 7.563 130.466 122.820 0.139 0.000 2.280 451 A HA 0.553 4.874 4.320 0.001 0.000 0.320 451 A C -0.295 177.310 177.584 0.035 0.000 1.366 451 A CA -0.456 51.613 52.037 0.053 0.000 0.938 451 A CB 0.344 19.347 19.000 0.006 0.000 1.157 451 A HN 0.481 nan 8.150 nan 0.000 0.536 452 V N 2.720 122.652 119.914 0.029 0.000 2.406 452 V HA 0.624 4.745 4.120 0.001 0.000 0.272 452 V C 0.635 176.721 176.094 -0.013 0.000 1.043 452 V CA 0.092 62.400 62.300 0.013 0.000 0.915 452 V CB 0.966 32.797 31.823 0.013 0.000 0.988 452 V HN 0.926 nan 8.190 nan 0.000 0.466 453 T N 4.184 118.722 114.554 -0.026 0.000 2.868 453 T HA 0.477 4.828 4.350 0.001 0.000 0.306 453 T C 0.348 175.023 174.700 -0.041 0.000 1.224 453 T CA -0.621 61.460 62.100 -0.030 0.000 1.012 453 T CB 1.841 70.685 68.868 -0.041 0.000 1.221 453 T HN 0.634 nan 8.240 nan 0.000 0.499 454 R N 1.056 121.547 120.500 -0.014 0.000 2.397 454 R HA 0.281 4.622 4.340 0.001 0.000 0.241 454 R C 0.383 176.710 176.300 0.046 0.000 0.914 454 R CA -0.347 55.755 56.100 0.003 0.000 1.071 454 R CB 0.319 30.641 30.300 0.036 0.000 1.116 454 R HN 0.376 nan 8.270 nan 0.000 0.524 455 N N 0.769 119.486 118.700 0.029 0.000 2.472 455 N HA 0.016 4.757 4.740 0.001 0.000 0.277 455 N C 0.373 175.918 175.510 0.058 0.000 1.081 455 N CA 0.290 53.387 53.050 0.078 0.000 0.973 455 N CB 0.768 39.285 38.487 0.050 0.000 1.105 455 N HN 0.230 nan 8.380 nan 0.000 0.470 456 H N 1.947 121.041 119.070 0.040 0.000 2.384 456 H HA 0.013 4.570 4.556 0.002 0.000 0.300 456 H C 1.020 176.380 175.328 0.053 0.000 1.057 456 H CA 0.795 56.876 56.048 0.055 0.000 1.370 456 H CB 0.685 30.482 29.762 0.060 0.000 1.417 456 H HN 0.643 nan 8.280 nan 0.000 0.527 457 Q N 0.285 120.185 119.800 0.166 0.000 2.124 457 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 457 Q C 2.088 178.143 176.000 0.093 0.000 0.977 457 Q CA 1.536 57.407 55.803 0.112 0.000 0.850 457 Q CB 0.030 28.821 28.738 0.088 0.000 0.901 457 Q HN 0.403 nan 8.270 nan 0.000 0.429 458 T N 0.834 115.433 114.554 0.075 0.000 2.684 458 T HA -0.176 4.175 4.350 0.001 0.000 0.267 458 T C 1.820 176.535 174.700 0.024 0.000 1.036 458 T CA 1.450 63.583 62.100 0.054 0.000 1.148 458 T CB -0.270 68.610 68.868 0.019 0.000 0.863 458 T HN 0.401 nan 8.240 nan 0.000 0.436 459 A N 1.340 124.150 122.820 -0.017 0.000 2.015 459 A HA -0.066 4.255 4.320 0.001 0.000 0.219 459 A C 2.375 179.891 177.584 -0.114 0.000 1.163 459 A CA 1.197 53.181 52.037 -0.088 0.000 0.646 459 A CB -0.385 18.548 19.000 -0.111 0.000 0.806 459 A HN 0.404 nan 8.150 nan 0.000 0.448 460 R N -0.626 119.881 120.500 0.013 0.000 2.055 460 R HA -0.059 4.282 4.340 0.001 0.000 0.226 460 R C 2.177 178.565 176.300 0.146 0.000 1.135 460 R CA 1.468 57.633 56.100 0.107 0.000 0.959 460 R CB -0.336 30.040 30.300 0.127 0.000 0.854 460 R HN 0.637 nan 8.270 nan 0.000 0.431 461 Q N 0.113 119.989 119.800 0.127 0.000 2.500 461 Q HA 0.030 4.371 4.340 0.001 0.000 0.213 461 Q C 1.510 177.655 176.000 0.242 0.000 0.974 461 Q CA 0.761 56.670 55.803 0.177 0.000 0.918 461 Q CB 0.228 29.070 28.738 0.173 0.000 0.980 461 Q HN 0.304 nan 8.270 nan 0.000 0.505 462 A N 0.102 123.005 122.820 0.139 0.000 2.235 462 A HA -0.105 4.216 4.320 0.001 0.000 0.208 462 A C 1.218 178.919 177.584 0.194 0.000 1.172 462 A CA 0.385 52.553 52.037 0.219 0.000 0.786 462 A CB -0.280 18.752 19.000 0.052 0.000 0.804 462 A HN 0.316 nan 8.150 nan 0.000 0.479 463 H N -0.822 118.356 119.070 0.180 0.000 2.462 463 H HA -0.018 4.539 4.556 0.001 0.000 0.292 463 H C 1.601 176.980 175.328 0.084 0.000 1.049 463 H CA 0.943 57.057 56.048 0.111 0.000 1.334 463 H CB 0.012 29.810 29.762 0.059 0.000 1.404 463 H HN 0.328 nan 8.280 nan 0.000 0.544 464 L N 0.405 121.719 121.223 0.153 0.000 2.191 464 L HA -0.152 4.189 4.340 0.001 0.000 0.212 464 L C 0.064 176.740 176.870 -0.324 0.000 1.103 464 L CA 1.115 55.868 54.840 -0.145 0.000 0.769 464 L CB -0.884 40.943 42.059 -0.387 0.000 0.908 464 L HN 0.128 nan 8.230 nan 0.000 0.438 465 Y N -0.757 119.564 120.300 0.034 0.000 2.326 465 Y HA 0.451 5.002 4.550 0.001 0.000 0.337 465 Y C 0.836 176.775 175.900 0.065 0.000 1.023 465 Y CA -1.439 56.678 58.100 0.028 0.000 1.143 465 Y CB 0.395 38.870 38.460 0.024 0.000 1.183 465 Y HN -0.137 nan 8.280 nan 0.000 0.485 466 R N 1.723 122.322 120.500 0.165 0.000 2.480 466 R HA 0.307 4.648 4.340 0.001 0.000 0.303 466 R C 1.127 177.520 176.300 0.154 0.000 0.985 466 R CA 1.287 57.468 56.100 0.134 0.000 1.051 466 R CB -0.592 29.768 30.300 0.100 0.000 0.935 466 R HN 0.987 nan 8.270 nan 0.000 0.410 467 G N 3.875 112.758 108.800 0.138 0.000 2.258 467 G HA2 -0.270 3.691 3.960 0.001 0.000 0.233 467 G HA3 -0.270 3.691 3.960 0.001 0.000 0.233 467 G C 0.218 175.203 174.900 0.142 0.000 1.006 467 G CA 0.040 45.212 45.100 0.120 0.000 0.620 467 G HN 0.564 nan 8.290 nan 0.000 0.511 468 I N 1.326 121.998 120.570 0.170 0.000 2.452 468 I HA 0.405 4.575 4.170 0.001 0.000 0.287 468 I C -0.020 176.207 176.117 0.183 0.000 1.079 468 I CA -0.396 61.001 61.300 0.161 0.000 1.387 468 I CB 0.610 38.692 38.000 0.137 0.000 1.404 468 I HN 0.131 nan 8.210 nan 0.000 0.522 469 F N 10.292 130.278 119.950 0.060 0.000 2.291 469 F HA 0.455 4.983 4.527 0.001 0.000 0.368 469 F C -2.134 173.691 175.800 0.043 0.000 1.085 469 F CA -2.648 55.405 58.000 0.088 0.000 1.165 469 F CB 0.679 39.783 39.000 0.173 0.000 1.429 469 F HN 0.260 nan 8.300 nan 0.000 0.503 470 P HA 0.131 nan 4.420 nan 0.000 0.271 470 P C -1.152 176.015 177.300 -0.221 0.000 1.216 470 P CA 0.025 62.997 63.100 -0.212 0.000 0.776 470 P CB 2.201 33.699 31.700 -0.336 0.000 0.881 471 V N 3.582 123.455 119.914 -0.069 0.000 2.686 471 V HA 0.179 4.299 4.120 0.001 0.000 0.306 471 V C 0.004 176.089 176.094 -0.015 0.000 1.065 471 V CA -0.794 61.504 62.300 -0.004 0.000 0.894 471 V CB 2.502 34.393 31.823 0.113 0.000 1.004 471 V HN 0.258 nan 8.190 nan 0.000 0.424 472 V N 3.388 123.307 119.914 0.008 0.000 2.383 472 V HA 0.293 4.414 4.120 0.001 0.000 0.275 472 V C 0.308 176.388 176.094 -0.023 0.000 1.036 472 V CA -0.517 61.747 62.300 -0.061 0.000 0.889 472 V CB 1.372 33.106 31.823 -0.149 0.000 0.985 472 V HN 1.008 nan 8.190 nan 0.000 0.459 473 C N 6.379 125.657 119.300 -0.035 0.000 2.303 473 C HA 0.375 4.836 4.460 0.001 0.000 0.341 473 C C 1.273 176.261 174.990 -0.004 0.000 1.244 473 C CA -0.557 58.454 59.018 -0.011 0.000 1.765 473 C CB -0.703 27.030 27.740 -0.013 0.000 2.379 473 C HN 1.004 nan 8.230 nan 0.000 0.530 474 K N 3.345 123.746 120.400 0.002 0.000 2.437 474 K HA 0.176 4.497 4.320 0.001 0.000 0.205 474 K C -0.204 176.402 176.600 0.010 0.000 1.026 474 K CA -0.098 56.198 56.287 0.014 0.000 1.153 474 K CB 0.136 32.634 32.500 -0.004 0.000 0.863 474 K HN 0.707 nan 8.250 nan 0.000 0.502 475 D N 2.359 122.762 120.400 0.005 0.000 2.193 475 D HA 0.187 4.828 4.640 0.001 0.000 0.249 475 D C -2.104 174.199 176.300 0.005 0.000 1.034 475 D CA -1.612 52.389 54.000 0.001 0.000 0.902 475 D CB 1.284 42.079 40.800 -0.007 0.000 1.182 475 D HN -0.007 nan 8.370 nan 0.000 0.436 476 P HA 0.055 nan 4.420 nan 0.000 0.272 476 P C -0.207 177.098 177.300 0.009 0.000 1.240 476 P CA -0.405 62.701 63.100 0.010 0.000 0.791 476 P CB 0.758 32.462 31.700 0.007 0.000 0.978 477 V N 2.280 122.206 119.914 0.019 0.000 2.686 477 V HA 0.044 4.165 4.120 0.001 0.000 0.295 477 V C 0.922 177.029 176.094 0.022 0.000 1.055 477 V CA -0.082 62.234 62.300 0.026 0.000 1.050 477 V CB 0.313 32.166 31.823 0.049 0.000 0.984 477 V HN 0.496 nan 8.190 nan 0.000 0.482 478 Q N 2.685 122.496 119.800 0.018 0.000 2.235 478 Q HA 0.213 4.554 4.340 0.001 0.000 0.250 478 Q C 0.923 176.946 176.000 0.038 0.000 0.909 478 Q CA -0.538 55.273 55.803 0.013 0.000 0.910 478 Q CB 1.504 30.234 28.738 -0.013 0.000 1.223 478 Q HN 0.887 nan 8.270 nan 0.000 0.432 479 E N 1.029 121.246 120.200 0.028 0.000 2.118 479 E HA -0.100 4.251 4.350 0.001 0.000 0.195 479 E C 0.160 176.792 176.600 0.053 0.000 0.992 479 E CA 1.390 57.811 56.400 0.035 0.000 0.804 479 E CB -0.209 29.502 29.700 0.018 0.000 0.741 479 E HN 0.519 nan 8.360 nan 0.000 0.458 480 A N 1.485 124.330 122.820 0.043 0.000 2.279 480 A HA 0.186 4.507 4.320 0.001 0.000 0.306 480 A C 0.420 178.057 177.584 0.088 0.000 1.300 480 A CA -0.545 51.525 52.037 0.054 0.000 0.925 480 A CB -0.472 18.535 19.000 0.011 0.000 1.152 480 A HN 0.519 nan 8.150 nan 0.000 0.544 481 W N 3.235 124.485 121.300 -0.082 0.000 2.305 481 W HA -0.360 4.301 4.660 0.001 0.000 0.308 481 W C 1.620 178.075 176.519 -0.106 0.000 1.226 481 W CA 2.378 59.666 57.345 -0.095 0.000 1.253 481 W CB -0.110 29.275 29.460 -0.124 0.000 1.146 481 W HN 0.763 nan 8.180 nan 0.000 0.507 482 A N 0.610 123.347 122.820 -0.139 0.000 1.877 482 A HA -0.257 4.064 4.320 0.001 0.000 0.216 482 A C 1.816 179.255 177.584 -0.242 0.000 1.186 482 A CA 2.000 53.883 52.037 -0.257 0.000 0.620 482 A CB -1.053 17.864 19.000 -0.139 0.000 0.822 482 A HN 0.507 nan 8.150 nan 0.000 0.443 483 E N -0.694 119.416 120.200 -0.149 0.000 2.077 483 E HA -0.214 4.137 4.350 0.001 0.000 0.193 483 E C 1.726 178.230 176.600 -0.161 0.000 0.989 483 E CA 1.138 57.464 56.400 -0.123 0.000 0.800 483 E CB -0.194 29.464 29.700 -0.069 0.000 0.746 483 E HN 0.645 nan 8.360 nan 0.000 0.452 484 D N 0.222 120.505 120.400 -0.195 0.000 2.097 484 D HA -0.140 4.501 4.640 0.001 0.000 0.195 484 D C 1.938 178.032 176.300 -0.343 0.000 0.989 484 D CA 0.823 54.687 54.000 -0.226 0.000 0.827 484 D CB 0.055 40.733 40.800 -0.203 0.000 0.966 484 D HN -0.068 nan 8.370 nan 0.000 0.456 485 V N 0.545 120.132 119.914 -0.545 0.000 2.287 485 V HA -0.236 3.885 4.120 0.001 0.000 0.248 485 V C 1.825 177.747 176.094 -0.286 0.000 1.053 485 V CA 2.146 64.132 62.300 -0.522 0.000 1.027 485 V CB -0.530 30.900 31.823 -0.655 0.000 0.646 485 V HN 0.166 nan 8.190 nan 0.000 0.447 486 D N -0.512 119.750 120.400 -0.229 0.000 2.219 486 D HA -0.108 4.533 4.640 0.001 0.000 0.205 486 D C 1.844 178.076 176.300 -0.113 0.000 0.970 486 D CA 0.751 54.663 54.000 -0.146 0.000 0.851 486 D CB -0.190 40.538 40.800 -0.119 0.000 0.943 486 D HN 0.374 nan 8.370 nan 0.000 0.488 487 L N 0.643 121.793 121.223 -0.122 0.000 1.994 487 L HA -0.140 4.201 4.340 0.001 0.000 0.208 487 L C 2.063 178.889 176.870 -0.074 0.000 1.071 487 L CA 1.687 56.475 54.840 -0.085 0.000 0.745 487 L CB -0.079 41.930 42.059 -0.083 0.000 0.892 487 L HN -0.150 nan 8.230 nan 0.000 0.431 488 R N -1.055 119.386 120.500 -0.098 0.000 2.096 488 R HA -0.103 4.238 4.340 0.001 0.000 0.235 488 R C 2.139 178.410 176.300 -0.049 0.000 1.127 488 R CA 1.424 57.481 56.100 -0.072 0.000 0.968 488 R CB -0.583 29.660 30.300 -0.095 0.000 0.861 488 R HN 0.315 nan 8.270 nan 0.000 0.440 489 V N 1.825 121.698 119.914 -0.069 0.000 2.407 489 V HA -0.238 3.883 4.120 0.001 0.000 0.248 489 V C 1.852 177.937 176.094 -0.015 0.000 1.055 489 V CA 1.630 63.904 62.300 -0.043 0.000 1.049 489 V CB -0.484 31.299 31.823 -0.067 0.000 0.662 489 V HN 0.383 nan 8.190 nan 0.000 0.455 490 N N -0.098 118.587 118.700 -0.026 0.000 2.244 490 N HA -0.118 4.623 4.740 0.001 0.000 0.183 490 N C 1.768 177.286 175.510 0.013 0.000 1.016 490 N CA 1.194 54.239 53.050 -0.009 0.000 0.866 490 N CB -0.168 38.306 38.487 -0.022 0.000 0.980 490 N HN 0.356 nan 8.380 nan 0.000 0.430 491 L N 1.735 122.963 121.223 0.008 0.000 1.970 491 L HA -0.113 4.228 4.340 0.001 0.000 0.212 491 L C 2.250 179.152 176.870 0.054 0.000 1.071 491 L CA 1.832 56.686 54.840 0.024 0.000 0.751 491 L CB -1.079 40.990 42.059 0.017 0.000 0.889 491 L HN 0.088 nan 8.230 nan 0.000 0.432 492 A N -1.169 121.693 122.820 0.070 0.000 1.978 492 A HA -0.280 4.040 4.320 0.001 0.000 0.220 492 A C 2.306 180.000 177.584 0.185 0.000 1.170 492 A CA 2.380 54.492 52.037 0.125 0.000 0.636 492 A CB -0.641 18.429 19.000 0.117 0.000 0.810 492 A HN 0.575 nan 8.150 nan 0.000 0.448 493 M N -0.302 119.397 119.600 0.165 0.000 2.123 493 M HA -0.066 4.415 4.480 0.001 0.000 0.263 493 M C 1.715 178.100 176.300 0.142 0.000 1.069 493 M CA 1.743 57.203 55.300 0.267 0.000 1.133 493 M CB -0.400 32.288 32.600 0.146 0.000 1.356 493 M HN 0.566 nan 8.290 nan 0.000 0.415 494 N N -1.108 117.621 118.700 0.049 0.000 2.223 494 N HA -0.143 4.598 4.740 0.001 0.000 0.185 494 N C 1.472 176.937 175.510 -0.075 0.000 1.016 494 N CA 1.082 54.125 53.050 -0.010 0.000 0.863 494 N CB 0.013 38.498 38.487 -0.002 0.000 0.983 494 N HN 0.143 nan 8.380 nan 0.000 0.429 495 V N 0.598 120.476 119.914 -0.059 0.000 2.283 495 V HA -0.107 4.013 4.120 0.001 0.000 0.243 495 V C 2.458 178.323 176.094 -0.382 0.000 1.039 495 V CA 2.014 64.243 62.300 -0.118 0.000 1.016 495 V CB -1.068 30.775 31.823 0.033 0.000 0.650 495 V HN 0.393 nan 8.190 nan 0.000 0.449 496 G N -0.157 108.380 108.800 -0.438 0.000 2.442 496 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 496 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 496 G C 1.663 175.847 174.900 -1.193 0.000 1.141 496 G CA 1.045 45.521 45.100 -1.040 0.000 0.763 496 G HN 0.489 nan 8.290 nan 0.000 0.554 497 K N 0.442 120.393 120.400 -0.748 0.000 2.103 497 K HA 0.220 4.541 4.320 0.001 0.000 0.204 497 K C 2.895 179.297 176.600 -0.331 0.000 1.052 497 K CA 0.827 56.859 56.287 -0.425 0.000 0.945 497 K CB -0.138 32.273 32.500 -0.148 0.000 0.722 497 K HN 0.252 nan 8.250 nan 0.000 0.443 498 A N 1.105 123.739 122.820 -0.310 0.000 1.930 498 A HA -0.103 4.218 4.320 0.001 0.000 0.217 498 A C 1.952 179.345 177.584 -0.318 0.000 1.175 498 A CA 1.314 53.210 52.037 -0.235 0.000 0.627 498 A CB -0.181 18.723 19.000 -0.161 0.000 0.815 498 A HN 0.039 nan 8.150 nan 0.000 0.443 499 R N -1.245 118.916 120.500 -0.564 0.000 2.275 499 R HA 0.178 4.519 4.340 0.001 0.000 0.199 499 R C 1.294 177.177 176.300 -0.695 0.000 0.989 499 R CA 0.580 56.210 56.100 -0.783 0.000 1.016 499 R CB -0.574 28.791 30.300 -1.557 0.000 0.918 499 R HN 0.813 nan 8.270 nan 0.000 0.473 500 G N -0.388 108.094 108.800 -0.531 0.000 2.147 500 G HA2 -0.262 3.699 3.960 0.001 0.000 0.244 500 G HA3 -0.262 3.699 3.960 0.001 0.000 0.244 500 G C 0.454 175.308 174.900 -0.077 0.000 1.005 500 G CA 0.291 45.239 45.100 -0.252 0.000 0.713 500 G HN 0.262 nan 8.290 nan 0.000 0.515 501 F N -0.288 119.452 119.950 -0.351 0.000 2.456 501 F HA 0.377 4.904 4.527 0.001 0.000 0.298 501 F C 1.334 177.103 175.800 -0.051 0.000 1.104 501 F CA 0.472 58.322 58.000 -0.250 0.000 1.435 501 F CB -0.562 38.223 39.000 -0.359 0.000 1.078 501 F HN 0.453 nan 8.300 nan 0.000 0.546 502 F N -1.593 118.435 119.950 0.130 0.000 2.770 502 F HA 0.565 5.093 4.527 0.001 0.000 0.313 502 F C -1.198 174.627 175.800 0.040 0.000 1.154 502 F CA -2.321 55.723 58.000 0.072 0.000 0.923 502 F CB 0.893 39.931 39.000 0.063 0.000 1.301 502 F HN -0.245 nan 8.300 nan 0.000 0.449 503 K N -0.490 120.129 120.400 0.365 0.000 2.444 503 K HA 0.416 4.736 4.320 0.001 0.000 0.252 503 K C -1.351 175.418 176.600 0.281 0.000 0.993 503 K CA -1.091 55.346 56.287 0.251 0.000 0.847 503 K CB 2.090 34.678 32.500 0.147 0.000 1.340 503 K HN 0.966 nan 8.250 nan 0.000 0.446 504 H N -0.516 118.628 119.070 0.123 0.000 3.195 504 H HA -0.022 4.535 4.556 0.001 0.000 0.302 504 H C 1.057 176.415 175.328 0.051 0.000 0.950 504 H CA 1.962 58.057 56.048 0.078 0.000 1.398 504 H CB 0.082 29.874 29.762 0.051 0.000 1.377 504 H HN 0.935 nan 8.280 nan 0.000 0.572 505 G N 3.568 112.564 108.800 0.327 0.000 2.259 505 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 505 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 505 G C -0.051 174.897 174.900 0.081 0.000 1.001 505 G CA 0.043 45.254 45.100 0.184 0.000 0.627 505 G HN 0.641 nan 8.290 nan 0.000 0.501 506 D N 0.289 120.730 120.400 0.069 0.000 2.357 506 D HA 0.514 5.155 4.640 0.001 0.000 0.242 506 D C 0.559 176.815 176.300 -0.073 0.000 1.153 506 D CA -0.042 53.966 54.000 0.014 0.000 0.918 506 D CB 1.699 42.535 40.800 0.059 0.000 1.181 506 D HN 0.171 nan 8.370 nan 0.000 0.435 507 V N 1.407 121.271 119.914 -0.083 0.000 2.532 507 V HA 0.451 4.572 4.120 0.001 0.000 0.295 507 V C 0.009 175.995 176.094 -0.181 0.000 1.041 507 V CA -0.483 61.750 62.300 -0.112 0.000 0.926 507 V CB 1.917 33.701 31.823 -0.065 0.000 0.992 507 V HN 0.221 nan 8.190 nan 0.000 0.457 508 V N 5.267 125.058 119.914 -0.205 0.000 2.686 508 V HA 0.456 4.577 4.120 0.001 0.000 0.306 508 V C -0.536 175.469 176.094 -0.147 0.000 1.065 508 V CA -0.615 61.544 62.300 -0.236 0.000 0.894 508 V CB 2.165 33.740 31.823 -0.414 0.000 1.004 508 V HN 0.588 nan 8.190 nan 0.000 0.424 509 I N 4.820 125.321 120.570 -0.115 0.000 2.474 509 I HA 0.381 4.552 4.170 0.001 0.000 0.287 509 I C -0.110 175.967 176.117 -0.067 0.000 1.048 509 I CA -0.079 61.172 61.300 -0.081 0.000 1.383 509 I CB 1.509 39.463 38.000 -0.078 0.000 1.412 509 I HN 0.231 nan 8.210 nan 0.000 0.531 510 V N 7.735 127.619 119.914 -0.049 0.000 2.483 510 V HA 0.405 4.526 4.120 0.001 0.000 0.297 510 V C -0.090 175.996 176.094 -0.013 0.000 1.027 510 V CA -0.599 61.681 62.300 -0.034 0.000 0.855 510 V CB 2.123 33.922 31.823 -0.040 0.000 0.995 510 V HN 0.432 nan 8.190 nan 0.000 0.424 511 L N 5.729 126.951 121.223 -0.003 0.000 2.280 511 L HA 0.794 5.135 4.340 0.001 0.000 0.287 511 L C 0.299 177.180 176.870 0.018 0.000 1.023 511 L CA 0.046 54.895 54.840 0.015 0.000 0.819 511 L CB 1.808 43.881 42.059 0.023 0.000 1.212 511 L HN 0.883 nan 8.230 nan 0.000 0.420 512 T N -0.559 114.016 114.554 0.034 0.000 2.841 512 T HA 0.660 5.011 4.350 0.001 0.000 0.296 512 T C -0.078 174.687 174.700 0.108 0.000 1.166 512 T CA -0.731 61.396 62.100 0.046 0.000 1.007 512 T CB 1.646 70.512 68.868 -0.004 0.000 1.253 512 T HN 0.516 nan 8.240 nan 0.000 0.511 513 G N -0.361 108.558 108.800 0.198 0.000 2.415 513 G HA2 0.368 4.329 3.960 0.001 0.000 0.269 513 G HA3 0.368 4.329 3.960 0.001 0.000 0.269 513 G C 0.471 175.625 174.900 0.425 0.000 1.209 513 G CA -0.870 44.386 45.100 0.260 0.000 0.835 513 G HN 0.820 nan 8.290 nan 0.000 0.534 514 W N 2.485 123.831 121.300 0.077 0.000 2.354 514 W HA -0.004 4.657 4.660 0.001 0.000 0.315 514 W C 0.672 177.313 176.519 0.203 0.000 1.206 514 W CA 0.657 58.064 57.345 0.104 0.000 1.290 514 W CB 0.306 29.757 29.460 -0.015 0.000 1.152 514 W HN 0.410 nan 8.180 nan 0.000 0.489 515 R N -1.470 119.001 120.500 -0.049 0.000 2.867 515 R HA 0.204 4.545 4.340 0.001 0.000 0.268 515 R C -1.572 174.069 176.300 -1.098 0.000 1.014 515 R CA -1.706 54.053 56.100 -0.568 0.000 0.946 515 R CB 0.889 30.994 30.300 -0.325 0.000 1.208 515 R HN -0.325 nan 8.270 nan 0.000 0.477 516 P HA -0.240 nan 4.420 nan 0.000 0.222 516 P C 0.551 177.344 177.300 -0.845 0.000 1.157 516 P CA 1.645 63.694 63.100 -1.752 0.000 0.905 516 P CB 0.118 31.267 31.700 -0.918 0.000 0.792 517 G N -1.709 106.801 108.800 -0.483 0.000 4.178 517 G HA2 0.152 4.112 3.960 0.001 0.000 0.287 517 G HA3 0.152 4.112 3.960 0.001 0.000 0.287 517 G C 0.856 175.666 174.900 -0.150 0.000 1.293 517 G CA -0.101 44.852 45.100 -0.245 0.000 1.393 517 G HN 0.042 nan 8.290 nan 0.000 0.623 518 S N 0.034 115.645 115.700 -0.148 0.000 2.474 518 S HA 0.122 4.593 4.470 0.001 0.000 0.235 518 S C 2.351 176.932 174.600 -0.031 0.000 0.997 518 S CA 1.306 59.455 58.200 -0.084 0.000 0.949 518 S CB 0.003 63.157 63.200 -0.076 0.000 0.766 518 S HN 1.234 nan 8.310 nan 0.000 0.517 519 G N 1.059 109.883 108.800 0.041 0.000 2.640 519 G HA2 -0.303 3.657 3.960 0.001 0.000 0.226 519 G HA3 -0.303 3.657 3.960 0.001 0.000 0.226 519 G C 0.104 175.184 174.900 0.299 0.000 1.222 519 G CA 0.602 45.803 45.100 0.169 0.000 0.729 519 G HN 0.837 nan 8.290 nan 0.000 0.516 520 F N -2.424 117.549 119.950 0.039 0.000 2.779 520 F HA 0.728 5.255 4.527 0.001 0.000 0.316 520 F C -0.205 175.634 175.800 0.066 0.000 1.164 520 F CA -0.572 57.453 58.000 0.041 0.000 0.924 520 F CB 0.710 39.726 39.000 0.027 0.000 1.348 520 F HN 0.026 nan 8.300 nan 0.000 0.467 521 T N 2.581 117.176 114.554 0.067 0.000 3.162 521 T HA 0.132 4.483 4.350 0.001 0.000 0.264 521 T C 0.592 175.209 174.700 -0.138 0.000 0.959 521 T CA 0.205 62.298 62.100 -0.012 0.000 1.118 521 T CB -1.038 67.883 68.868 0.088 0.000 0.979 521 T HN 0.634 nan 8.240 nan 0.000 0.679 522 N N 1.214 119.667 118.700 -0.412 0.000 2.214 522 N HA 0.052 4.793 4.740 0.001 0.000 0.214 522 N C -0.232 175.199 175.510 -0.131 0.000 1.132 522 N CA -0.472 52.340 53.050 -0.396 0.000 0.856 522 N CB 0.556 38.593 38.487 -0.751 0.000 1.020 522 N HN 0.253 nan 8.380 nan 0.000 0.509 523 T N 0.889 115.426 114.554 -0.028 0.000 2.861 523 T HA 0.480 4.830 4.350 0.001 0.000 0.287 523 T C -0.832 173.888 174.700 0.033 0.000 1.003 523 T CA -0.690 61.428 62.100 0.029 0.000 0.977 523 T CB 2.104 71.096 68.868 0.206 0.000 0.996 523 T HN 0.209 nan 8.240 nan 0.000 0.448 524 M N 2.976 122.584 119.600 0.013 0.000 2.393 524 M HA 0.656 5.136 4.480 0.001 0.000 0.299 524 M C -1.628 174.673 176.300 0.003 0.000 1.103 524 M CA -0.606 54.698 55.300 0.006 0.000 0.910 524 M CB 2.077 34.672 32.600 -0.008 0.000 1.659 524 M HN 0.537 nan 8.290 nan 0.000 0.445 525 R N 2.204 122.702 120.500 -0.003 0.000 2.808 525 R HA 0.779 5.120 4.340 0.001 0.000 0.272 525 R C -1.743 174.540 176.300 -0.029 0.000 0.995 525 R CA -0.914 55.181 56.100 -0.008 0.000 0.917 525 R CB 2.914 33.215 30.300 0.001 0.000 1.217 525 R HN 0.570 nan 8.270 nan 0.000 0.471 526 V N 3.409 123.303 119.914 -0.033 0.000 2.325 526 V HA 0.306 4.427 4.120 0.001 0.000 0.280 526 V C -0.542 175.523 176.094 -0.049 0.000 1.016 526 V CA -0.579 61.693 62.300 -0.047 0.000 0.818 526 V CB 1.469 33.269 31.823 -0.040 0.000 1.019 526 V HN 0.529 nan 8.190 nan 0.000 0.434 527 V N 4.465 124.338 119.914 -0.069 0.000 2.680 527 V HA 0.805 4.926 4.120 0.001 0.000 0.309 527 V C -2.623 173.413 176.094 -0.096 0.000 1.052 527 V CA -2.521 59.735 62.300 -0.072 0.000 0.908 527 V CB 2.255 34.033 31.823 -0.074 0.000 1.001 527 V HN 0.572 nan 8.190 nan 0.000 0.431 528 P HA 0.309 nan 4.420 nan 0.000 0.281 528 P C -0.413 176.822 177.300 -0.109 0.000 1.249 528 P CA -0.295 62.762 63.100 -0.070 0.000 0.810 528 P CB 1.598 33.289 31.700 -0.016 0.000 1.008 529 V N 4.783 124.621 119.914 -0.127 0.000 2.508 529 V HA 0.141 4.262 4.120 0.001 0.000 0.281 529 V C -1.312 174.635 176.094 -0.246 0.000 1.041 529 V CA -1.166 61.038 62.300 -0.160 0.000 1.016 529 V CB 0.361 32.124 31.823 -0.101 0.000 0.984 529 V HN 0.631 nan 8.190 nan 0.000 0.478 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 62.687 63.100 -0.689 0.000 0.800 530 P CB 0.000 31.527 31.700 -0.289 0.000 0.726