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 1a49_1_A DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARSS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.099 176.117 -0.031 0.000 1.063 12 I CA 0.000 61.273 61.300 -0.045 0.000 1.566 12 I CB 0.000 37.980 38.000 -0.033 0.000 1.214 13 Q N 2.356 122.138 119.800 -0.029 0.000 2.454 13 Q HA 0.290 4.629 4.340 -0.001 0.000 0.247 13 Q C 0.190 176.188 176.000 -0.003 0.000 1.028 13 Q CA 0.469 56.267 55.803 -0.009 0.000 0.910 13 Q CB 1.260 30.003 28.738 0.008 0.000 1.276 13 Q HN 0.511 nan 8.270 nan 0.000 0.489 14 T N 0.871 115.425 114.554 -0.000 0.000 2.862 14 T HA 0.031 4.380 4.350 -0.001 0.000 0.276 14 T C -0.171 174.530 174.700 0.001 0.000 0.974 14 T CA -0.249 61.851 62.100 -0.000 0.000 0.966 14 T CB 0.679 69.547 68.868 0.001 0.000 1.072 14 T HN 0.696 nan 8.240 nan 0.000 0.538 15 Q N 1.117 120.916 119.800 -0.000 0.000 2.411 15 Q HA -0.235 4.104 4.340 -0.001 0.000 0.305 15 Q C -0.300 175.705 176.000 0.009 0.000 1.273 15 Q CA 0.273 56.077 55.803 0.001 0.000 0.895 15 Q CB -0.676 28.058 28.738 -0.008 0.000 1.198 15 Q HN 0.663 nan 8.270 nan 0.000 0.470 16 Q N -2.433 117.367 119.800 0.001 0.000 2.407 16 Q HA -0.255 4.085 4.340 -0.001 0.000 0.277 16 Q C 0.653 176.655 176.000 0.004 0.000 1.161 16 Q CA 1.519 57.314 55.803 -0.014 0.000 0.924 16 Q CB -1.851 26.866 28.738 -0.034 0.000 1.318 16 Q HN 0.678 nan 8.270 nan 0.000 0.513 17 L N -1.323 119.913 121.223 0.022 0.000 2.275 17 L HA -0.171 4.168 4.340 -0.001 0.000 0.215 17 L C 2.276 179.187 176.870 0.068 0.000 1.119 17 L CA 1.409 56.270 54.840 0.034 0.000 0.790 17 L CB -0.414 41.658 42.059 0.022 0.000 0.919 17 L HN 0.313 nan 8.230 nan 0.000 0.443 18 H N 0.532 119.576 119.070 -0.042 0.000 2.299 18 H HA -0.101 4.454 4.556 -0.001 0.000 0.302 18 H C 2.180 177.469 175.328 -0.066 0.000 1.078 18 H CA 1.437 57.456 56.048 -0.048 0.000 1.323 18 H CB -0.047 29.680 29.762 -0.058 0.000 1.381 18 H HN 0.219 nan 8.280 nan 0.000 0.498 19 A N 1.110 123.811 122.820 -0.199 0.000 1.917 19 A HA -0.179 4.140 4.320 -0.001 0.000 0.219 19 A C 2.636 180.117 177.584 -0.171 0.000 1.182 19 A CA 2.203 54.021 52.037 -0.364 0.000 0.633 19 A CB -1.497 17.198 19.000 -0.509 0.000 0.819 19 A HN 0.630 nan 8.150 nan 0.000 0.448 20 A N -1.617 121.200 122.820 -0.004 0.000 2.076 20 A HA -0.117 4.202 4.320 -0.001 0.000 0.220 20 A C 1.923 179.587 177.584 0.134 0.000 1.160 20 A CA 1.892 54.013 52.037 0.140 0.000 0.653 20 A CB -0.422 18.629 19.000 0.085 0.000 0.801 20 A HN 0.423 nan 8.150 nan 0.000 0.455 21 M N -0.539 119.072 119.600 0.018 0.000 2.595 21 M HA 0.239 4.718 4.480 -0.001 0.000 0.248 21 M C 1.199 177.515 176.300 0.026 0.000 1.119 21 M CA -0.213 55.097 55.300 0.017 0.000 1.079 21 M CB -1.559 31.031 32.600 -0.017 0.000 1.472 21 M HN 0.391 nan 8.290 nan 0.000 0.501 22 A N 0.722 123.545 122.820 0.005 0.000 2.520 22 A HA 0.017 4.336 4.320 -0.001 0.000 0.235 22 A C 1.037 178.751 177.584 0.217 0.000 1.065 22 A CA 0.199 52.231 52.037 -0.008 0.000 0.764 22 A CB 0.224 19.090 19.000 -0.223 0.000 1.002 22 A HN 0.338 nan 8.150 nan 0.000 0.502 23 D N -0.550 119.933 120.400 0.138 0.000 2.262 23 D HA 0.032 4.671 4.640 -0.001 0.000 0.212 23 D C 0.930 177.370 176.300 0.233 0.000 0.964 23 D CA 1.839 55.939 54.000 0.166 0.000 0.875 23 D CB 0.222 41.074 40.800 0.087 0.000 0.996 23 D HN 0.761 nan 8.370 nan 0.000 0.497 24 T N -2.994 111.677 114.554 0.195 0.000 2.912 24 T HA 0.249 4.598 4.350 -0.001 0.000 0.288 24 T C 0.850 175.673 174.700 0.204 0.000 1.030 24 T CA -0.788 61.450 62.100 0.229 0.000 1.020 24 T CB 1.600 70.557 68.868 0.147 0.000 1.056 24 T HN -0.195 nan 8.240 nan 0.000 0.480 25 F N 1.127 121.193 119.950 0.194 0.000 2.120 25 F HA -0.031 4.495 4.527 -0.001 0.000 0.300 25 F C 2.049 177.849 175.800 0.001 0.000 1.095 25 F CA 1.620 59.678 58.000 0.095 0.000 1.249 25 F CB -0.312 38.767 39.000 0.133 0.000 0.995 25 F HN 0.576 nan 8.300 nan 0.000 0.480 26 L N 0.331 121.680 121.223 0.209 0.000 2.042 26 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 26 L C 2.185 179.054 176.870 -0.001 0.000 1.076 26 L CA 2.006 56.911 54.840 0.108 0.000 0.749 26 L CB -0.980 41.132 42.059 0.088 0.000 0.893 26 L HN 0.076 nan 8.230 nan 0.000 0.432 27 E N -1.104 119.076 120.200 -0.034 0.000 2.072 27 E HA -0.249 4.101 4.350 -0.001 0.000 0.191 27 E C 2.200 178.671 176.600 -0.215 0.000 0.985 27 E CA 1.458 57.798 56.400 -0.100 0.000 0.801 27 E CB -0.297 29.360 29.700 -0.071 0.000 0.750 27 E HN 0.728 nan 8.360 nan 0.000 0.452 28 H N -0.235 118.562 119.070 -0.455 0.000 2.289 28 H HA -0.105 4.450 4.556 -0.001 0.000 0.296 28 H C 2.055 177.114 175.328 -0.449 0.000 1.091 28 H CA 2.586 58.217 56.048 -0.696 0.000 1.274 28 H CB -0.195 28.765 29.762 -1.338 0.000 1.364 28 H HN 0.141 nan 8.280 nan 0.000 0.490 29 M N -0.869 118.551 119.600 -0.300 0.000 2.080 29 M HA -0.251 4.229 4.480 -0.001 0.000 0.260 29 M C 2.617 178.796 176.300 -0.202 0.000 1.068 29 M CA 1.714 56.889 55.300 -0.207 0.000 1.109 29 M CB -0.418 32.168 32.600 -0.023 0.000 1.342 29 M HN 0.442 nan 8.290 nan 0.000 0.405 30 C N 0.006 119.212 119.300 -0.156 0.000 2.411 30 C HA -0.132 4.328 4.460 -0.001 0.000 0.279 30 C C 2.375 177.286 174.990 -0.130 0.000 1.288 30 C CA 0.895 59.845 59.018 -0.113 0.000 1.764 30 C CB -1.267 26.428 27.740 -0.074 0.000 1.974 30 C HN 0.469 nan 8.230 nan 0.000 0.498 31 R N 0.231 120.606 120.500 -0.208 0.000 2.317 31 R HA 0.238 4.577 4.340 -0.001 0.000 0.208 31 R C 0.051 176.243 176.300 -0.179 0.000 0.914 31 R CA -0.079 55.923 56.100 -0.164 0.000 1.060 31 R CB -0.155 29.993 30.300 -0.253 0.000 1.015 31 R HN 0.478 nan 8.270 nan 0.000 0.498 32 L N 2.122 123.203 121.223 -0.236 0.000 2.499 32 L HA 0.005 4.344 4.340 -0.001 0.000 0.273 32 L C 0.019 176.824 176.870 -0.109 0.000 1.195 32 L CA 0.309 55.026 54.840 -0.206 0.000 0.882 32 L CB 0.122 42.059 42.059 -0.204 0.000 1.133 32 L HN -0.018 nan 8.230 nan 0.000 0.483 33 D N 3.416 123.768 120.400 -0.080 0.000 2.425 33 D HA 0.204 4.844 4.640 -0.001 0.000 0.240 33 D C 0.935 177.213 176.300 -0.037 0.000 1.080 33 D CA -0.576 53.397 54.000 -0.046 0.000 0.836 33 D CB 1.412 42.196 40.800 -0.027 0.000 1.125 33 D HN 0.466 nan 8.370 nan 0.000 0.525 34 I N 0.400 120.950 120.570 -0.032 0.000 2.530 34 I HA -0.124 4.045 4.170 -0.001 0.000 0.257 34 I C 0.404 176.510 176.117 -0.020 0.000 1.179 34 I CA 1.129 62.414 61.300 -0.025 0.000 1.440 34 I CB 0.144 38.131 38.000 -0.022 0.000 1.087 34 I HN 0.092 nan 8.210 nan 0.000 0.440 35 D N 1.073 121.461 120.400 -0.020 0.000 2.340 35 D HA 0.032 4.671 4.640 -0.001 0.000 0.220 35 D C 0.905 177.196 176.300 -0.015 0.000 1.039 35 D CA 0.406 54.396 54.000 -0.016 0.000 0.866 35 D CB 0.296 41.086 40.800 -0.016 0.000 0.913 35 D HN 0.295 nan 8.370 nan 0.000 0.523 36 S N 0.708 116.398 115.700 -0.016 0.000 2.416 36 S HA 0.458 4.927 4.470 -0.001 0.000 0.287 36 S C -0.111 174.483 174.600 -0.010 0.000 1.139 36 S CA -0.691 57.502 58.200 -0.013 0.000 1.058 36 S CB 0.456 63.648 63.200 -0.013 0.000 0.967 36 S HN 0.161 nan 8.310 nan 0.000 0.495 37 A N 7.292 130.108 122.820 -0.006 0.000 2.331 37 A HA 0.682 5.001 4.320 -0.001 0.000 0.283 37 A C -2.383 175.200 177.584 -0.001 0.000 1.142 37 A CA -1.623 50.413 52.037 -0.003 0.000 0.812 37 A CB 0.049 19.050 19.000 0.001 0.000 1.074 37 A HN 0.665 nan 8.150 nan 0.000 0.497 38 P HA 0.257 nan 4.420 nan 0.000 0.272 38 P C 0.182 177.481 177.300 -0.001 0.000 1.240 38 P CA -0.163 62.934 63.100 -0.004 0.000 0.791 38 P CB 0.323 32.016 31.700 -0.012 0.000 0.978 39 I N -1.698 118.865 120.570 -0.011 0.000 3.211 39 I HA 0.208 4.377 4.170 -0.001 0.000 0.297 39 I C 1.505 177.623 176.117 0.002 0.000 1.095 39 I CA -0.270 61.020 61.300 -0.017 0.000 1.239 39 I CB 0.047 38.013 38.000 -0.058 0.000 1.455 39 I HN 0.371 nan 8.210 nan 0.000 0.630 40 T N 0.057 114.628 114.554 0.028 0.000 2.978 40 T HA 0.198 4.548 4.350 -0.001 0.000 0.262 40 T C 1.013 175.799 174.700 0.143 0.000 1.063 40 T CA 0.341 62.511 62.100 0.118 0.000 1.140 40 T CB -0.369 68.608 68.868 0.182 0.000 0.886 40 T HN 0.809 nan 8.240 nan 0.000 0.470 41 A N 2.352 125.076 122.820 -0.161 0.000 2.484 41 A HA 0.405 4.725 4.320 -0.001 0.000 0.268 41 A C 0.511 178.141 177.584 0.077 0.000 1.114 41 A CA -0.516 51.324 52.037 -0.328 0.000 0.780 41 A CB -0.233 17.922 19.000 -1.408 0.000 1.061 41 A HN 0.496 nan 8.150 nan 0.000 0.505 42 R N 3.090 123.782 120.500 0.319 0.000 2.216 42 R HA 0.123 4.462 4.340 -0.001 0.000 0.332 42 R C 0.099 176.549 176.300 0.250 0.000 1.056 42 R CA -0.057 56.157 56.100 0.189 0.000 0.901 42 R CB 0.165 30.554 30.300 0.149 0.000 1.039 42 R HN 0.939 nan 8.270 nan 0.000 0.456 43 N N 0.784 119.593 118.700 0.182 0.000 2.395 43 N HA -0.034 4.705 4.740 -0.001 0.000 0.175 43 N C -0.399 175.136 175.510 0.041 0.000 1.029 43 N CA 0.524 53.671 53.050 0.162 0.000 0.897 43 N CB 0.421 39.023 38.487 0.191 0.000 0.991 43 N HN 0.425 nan 8.380 nan 0.000 0.441 44 T N 1.096 115.676 114.554 0.044 0.000 2.727 44 T HA 0.217 4.566 4.350 -0.001 0.000 0.295 44 T C 0.662 175.374 174.700 0.021 0.000 0.915 44 T CA -0.539 61.578 62.100 0.030 0.000 1.066 44 T CB 0.886 69.772 68.868 0.030 0.000 0.891 44 T HN 0.151 nan 8.240 nan 0.000 0.516 45 G N 3.251 112.061 108.800 0.017 0.000 2.391 45 G HA2 0.314 4.273 3.960 -0.001 0.000 0.234 45 G HA3 0.314 4.273 3.960 -0.001 0.000 0.234 45 G C -0.240 174.671 174.900 0.017 0.000 1.284 45 G CA -0.383 44.735 45.100 0.030 0.000 0.873 45 G HN 0.779 nan 8.290 nan 0.000 0.549 46 I N 2.088 122.663 120.570 0.007 0.000 2.355 46 I HA 0.281 4.450 4.170 -0.001 0.000 0.288 46 I C -0.198 175.915 176.117 -0.006 0.000 0.999 46 I CA -0.462 60.842 61.300 0.007 0.000 1.163 46 I CB 1.644 39.655 38.000 0.019 0.000 1.316 46 I HN 0.239 nan 8.210 nan 0.000 0.454 47 I N 6.280 126.862 120.570 0.021 0.000 2.330 47 I HA 0.286 4.456 4.170 -0.001 0.000 0.289 47 I C -0.587 175.562 176.117 0.054 0.000 1.001 47 I CA -0.225 61.107 61.300 0.054 0.000 1.193 47 I CB 1.004 39.072 38.000 0.114 0.000 1.345 47 I HN 0.536 nan 8.210 nan 0.000 0.461 48 C N 3.948 123.270 119.300 0.037 0.000 2.351 48 C HA 0.423 4.882 4.460 -0.001 0.000 0.326 48 C C 0.660 175.675 174.990 0.041 0.000 1.272 48 C CA -0.664 58.375 59.018 0.034 0.000 1.650 48 C CB 0.965 28.716 27.740 0.017 0.000 2.257 48 C HN 0.625 nan 8.230 nan 0.000 0.505 49 T N 5.010 119.592 114.554 0.047 0.000 2.723 49 T HA 0.287 4.636 4.350 -0.001 0.000 0.297 49 T C 0.215 174.943 174.700 0.046 0.000 0.925 49 T CA -0.038 62.091 62.100 0.048 0.000 1.030 49 T CB -0.301 68.595 68.868 0.047 0.000 0.905 49 T HN 0.341 nan 8.240 nan 0.000 0.502 50 I N 3.954 124.560 120.570 0.061 0.000 2.371 50 I HA 0.581 4.750 4.170 -0.001 0.000 0.290 50 I C 0.964 177.158 176.117 0.128 0.000 1.028 50 I CA -0.328 61.018 61.300 0.076 0.000 1.345 50 I CB 0.459 38.502 38.000 0.071 0.000 1.407 50 I HN 0.754 nan 8.210 nan 0.000 0.501 51 G N 6.928 115.796 108.800 0.114 0.000 2.871 51 G HA2 0.485 4.444 3.960 -0.001 0.000 0.282 51 G HA3 0.485 4.444 3.960 -0.001 0.000 0.282 51 G C -2.457 172.531 174.900 0.146 0.000 1.212 51 G CA -0.316 44.889 45.100 0.176 0.000 0.812 51 G HN 0.271 nan 8.290 nan 0.000 0.547 52 P HA -0.115 nan 4.420 nan 0.000 0.213 52 P C 2.126 179.452 177.300 0.044 0.000 1.170 52 P CA 2.781 65.949 63.100 0.114 0.000 0.902 52 P CB -0.178 31.580 31.700 0.096 0.000 0.789 53 A N -0.387 122.448 122.820 0.026 0.000 2.076 53 A HA -0.142 4.177 4.320 -0.001 0.000 0.220 53 A C 1.929 179.515 177.584 0.004 0.000 1.160 53 A CA 2.323 54.361 52.037 0.002 0.000 0.653 53 A CB -1.153 17.841 19.000 -0.010 0.000 0.801 53 A HN 0.409 nan 8.150 nan 0.000 0.455 54 S N -2.598 113.112 115.700 0.016 0.000 2.780 54 S HA 0.262 4.731 4.470 -0.001 0.000 0.248 54 S C 1.261 175.867 174.600 0.010 0.000 1.036 54 S CA -0.233 57.976 58.200 0.015 0.000 1.061 54 S CB 0.043 63.257 63.200 0.023 0.000 1.037 54 S HN 0.522 nan 8.310 nan 0.000 0.584 55 R N 2.573 123.072 120.500 -0.001 0.000 2.148 55 R HA 0.037 4.377 4.340 -0.001 0.000 0.227 55 R C 1.137 177.412 176.300 -0.042 0.000 1.103 55 R CA 1.018 57.096 56.100 -0.036 0.000 0.983 55 R CB -0.211 30.028 30.300 -0.102 0.000 0.874 55 R HN 0.569 nan 8.270 nan 0.000 0.451 56 S N -0.057 115.625 115.700 -0.031 0.000 2.558 56 S HA -0.014 4.455 4.470 -0.001 0.000 0.288 56 S C 1.481 176.072 174.600 -0.016 0.000 1.318 56 S CA -0.595 57.588 58.200 -0.028 0.000 1.056 56 S CB 1.481 64.668 63.200 -0.022 0.000 0.853 56 S HN -0.047 nan 8.310 nan 0.000 0.505 57 V N 2.978 122.881 119.914 -0.019 0.000 2.594 57 V HA -0.117 4.002 4.120 -0.001 0.000 0.253 57 V C 2.679 178.770 176.094 -0.004 0.000 1.069 57 V CA 2.206 64.499 62.300 -0.012 0.000 1.082 57 V CB -1.091 30.719 31.823 -0.022 0.000 0.680 57 V HN 1.016 nan 8.190 nan 0.000 0.469 58 E N -0.099 120.098 120.200 -0.006 0.000 2.112 58 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 58 E C 2.241 178.853 176.600 0.020 0.000 0.979 58 E CA 1.493 57.894 56.400 0.001 0.000 0.814 58 E CB 0.066 29.763 29.700 -0.005 0.000 0.762 58 E HN 0.644 nan 8.360 nan 0.000 0.460 59 T N 1.672 116.235 114.554 0.016 0.000 2.812 59 T HA -0.118 4.231 4.350 -0.001 0.000 0.264 59 T C 1.782 176.505 174.700 0.038 0.000 1.042 59 T CA 0.443 62.556 62.100 0.022 0.000 1.140 59 T CB -0.114 68.760 68.868 0.011 0.000 0.870 59 T HN 0.033 nan 8.240 nan 0.000 0.445 60 L N 1.625 122.870 121.223 0.038 0.000 1.978 60 L HA -0.136 4.203 4.340 -0.001 0.000 0.218 60 L C 2.358 179.290 176.870 0.102 0.000 1.075 60 L CA 1.726 56.599 54.840 0.055 0.000 0.767 60 L CB -1.029 41.059 42.059 0.049 0.000 0.890 60 L HN 0.258 nan 8.230 nan 0.000 0.434 61 K N -0.730 119.751 120.400 0.134 0.000 2.015 61 K HA -0.231 4.088 4.320 -0.001 0.000 0.216 61 K C 1.849 178.599 176.600 0.250 0.000 1.052 61 K CA 1.624 58.078 56.287 0.278 0.000 0.937 61 K CB -0.316 32.275 32.500 0.152 0.000 0.719 61 K HN 0.292 nan 8.250 nan 0.000 0.446 62 E N 0.553 120.836 120.200 0.137 0.000 2.209 62 E HA -0.183 4.166 4.350 -0.001 0.000 0.196 62 E C 1.941 178.568 176.600 0.045 0.000 0.993 62 E CA 1.212 57.663 56.400 0.085 0.000 0.819 62 E CB -0.177 29.556 29.700 0.056 0.000 0.745 62 E HN 0.384 nan 8.360 nan 0.000 0.477 63 M N -0.186 119.442 119.600 0.047 0.000 2.099 63 M HA -0.107 4.372 4.480 -0.001 0.000 0.262 63 M C 2.264 178.550 176.300 -0.022 0.000 1.067 63 M CA 1.201 56.510 55.300 0.015 0.000 1.124 63 M CB -0.110 32.501 32.600 0.019 0.000 1.353 63 M HN 0.047 nan 8.290 nan 0.000 0.410 64 I N -0.340 120.217 120.570 -0.022 0.000 2.252 64 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 64 I C 2.268 178.265 176.117 -0.200 0.000 1.102 64 I CA 1.282 62.513 61.300 -0.115 0.000 1.385 64 I CB -0.421 37.511 38.000 -0.115 0.000 1.064 64 I HN 0.271 nan 8.210 nan 0.000 0.414 65 K N 0.517 120.807 120.400 -0.184 0.000 2.026 65 K HA -0.127 4.192 4.320 -0.001 0.000 0.208 65 K C 2.151 178.658 176.600 -0.156 0.000 1.048 65 K CA 1.702 57.868 56.287 -0.203 0.000 0.929 65 K CB -0.156 32.290 32.500 -0.091 0.000 0.713 65 K HN 0.173 nan 8.250 nan 0.000 0.439 66 S N -0.935 114.701 115.700 -0.107 0.000 2.515 66 S HA -0.005 4.464 4.470 -0.001 0.000 0.231 66 S C 1.246 175.754 174.600 -0.153 0.000 0.987 66 S CA 0.973 59.107 58.200 -0.109 0.000 0.936 66 S CB 0.484 63.655 63.200 -0.049 0.000 0.766 66 S HN 0.649 nan 8.310 nan 0.000 0.528 67 G N 0.855 109.572 108.800 -0.139 0.000 2.738 67 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.195 67 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.195 67 G C 0.160 175.016 174.900 -0.074 0.000 1.001 67 G CA -0.196 44.835 45.100 -0.116 0.000 0.759 67 G HN 0.428 nan 8.290 nan 0.000 0.494 68 M N 1.671 121.224 119.600 -0.077 0.000 2.290 68 M HA 0.309 4.788 4.480 -0.001 0.000 0.356 68 M C 0.816 177.017 176.300 -0.166 0.000 1.448 68 M CA 1.354 56.601 55.300 -0.087 0.000 0.993 68 M CB 0.152 32.715 32.600 -0.062 0.000 1.934 68 M HN 0.230 nan 8.290 nan 0.000 0.461 69 N N 2.953 121.511 118.700 -0.237 0.000 2.397 69 N HA 0.220 4.960 4.740 -0.001 0.000 0.190 69 N C -1.089 174.112 175.510 -0.516 0.000 1.099 69 N CA -0.204 52.497 53.050 -0.582 0.000 0.876 69 N CB 0.920 38.994 38.487 -0.688 0.000 1.143 69 N HN 0.453 nan 8.380 nan 0.000 0.468 70 V N 0.357 120.135 119.914 -0.227 0.000 2.760 70 V HA 0.740 4.859 4.120 -0.001 0.000 0.309 70 V C -1.060 175.004 176.094 -0.050 0.000 1.077 70 V CA -1.418 60.818 62.300 -0.107 0.000 0.910 70 V CB 1.763 33.577 31.823 -0.014 0.000 1.008 70 V HN 0.064 nan 8.190 nan 0.000 0.424 71 A N 3.919 126.709 122.820 -0.049 0.000 2.249 71 A HA 0.732 5.051 4.320 -0.001 0.000 0.314 71 A C -0.029 177.517 177.584 -0.063 0.000 1.290 71 A CA -0.543 51.475 52.037 -0.032 0.000 0.893 71 A CB 0.479 19.468 19.000 -0.019 0.000 1.165 71 A HN 0.840 nan 8.150 nan 0.000 0.530 72 R N 3.303 123.779 120.500 -0.040 0.000 2.255 72 R HA 0.542 4.881 4.340 -0.001 0.000 0.326 72 R C -1.348 174.933 176.300 -0.032 0.000 0.986 72 R CA -0.494 55.545 56.100 -0.102 0.000 0.847 72 R CB 0.582 30.869 30.300 -0.023 0.000 1.111 72 R HN 0.656 nan 8.270 nan 0.000 0.452 73 M N 3.958 123.530 119.600 -0.046 0.000 2.055 73 M HA 0.205 4.684 4.480 -0.001 0.000 0.347 73 M C -0.305 175.969 176.300 -0.043 0.000 1.123 73 M CA -0.405 54.872 55.300 -0.039 0.000 1.035 73 M CB 1.192 33.824 32.600 0.053 0.000 1.484 73 M HN 0.355 nan 8.290 nan 0.000 0.428 74 N N 2.433 121.079 118.700 -0.090 0.000 2.402 74 N HA 0.105 4.845 4.740 -0.001 0.000 0.252 74 N C -0.124 175.390 175.510 0.007 0.000 1.118 74 N CA 0.102 53.199 53.050 0.078 0.000 0.945 74 N CB 0.224 38.809 38.487 0.164 0.000 1.147 74 N HN 0.466 nan 8.380 nan 0.000 0.495 75 F N 1.136 121.035 119.950 -0.085 0.000 2.722 75 F HA 0.000 4.526 4.527 -0.001 0.000 0.298 75 F C 2.171 178.049 175.800 0.129 0.000 1.175 75 F CA 0.312 58.319 58.000 0.011 0.000 1.462 75 F CB -0.107 38.894 39.000 0.001 0.000 1.111 75 F HN 0.445 nan 8.300 nan 0.000 0.592 76 S N -1.988 113.858 115.700 0.243 0.000 2.461 76 S HA -0.038 4.431 4.470 -0.001 0.000 0.228 76 S C 0.409 174.968 174.600 -0.067 0.000 1.005 76 S CA 0.547 58.821 58.200 0.123 0.000 0.942 76 S CB -0.274 63.006 63.200 0.133 0.000 0.776 76 S HN 0.345 nan 8.310 nan 0.000 0.514 77 H N -0.838 118.288 119.070 0.093 0.000 2.771 77 H HA 0.601 5.156 4.556 -0.001 0.000 0.344 77 H C 1.001 176.299 175.328 -0.050 0.000 1.260 77 H CA 0.156 56.211 56.048 0.012 0.000 1.276 77 H CB 0.230 29.982 29.762 -0.018 0.000 1.881 77 H HN 0.219 nan 8.280 nan 0.000 0.615 78 G N -0.161 108.508 108.800 -0.218 0.000 2.622 78 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.272 78 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.272 78 G C 0.127 174.858 174.900 -0.283 0.000 1.308 78 G CA 0.287 45.032 45.100 -0.592 0.000 0.919 78 G HN 0.999 nan 8.290 nan 0.000 0.565 79 T N -5.425 108.982 114.554 -0.245 0.000 2.858 79 T HA 0.639 4.988 4.350 -0.001 0.000 0.285 79 T C 1.073 175.804 174.700 0.052 0.000 1.052 79 T CA 0.389 62.466 62.100 -0.038 0.000 1.009 79 T CB 1.612 70.466 68.868 -0.022 0.000 1.241 79 T HN 0.677 nan 8.240 nan 0.000 0.542 80 H N -0.606 118.392 119.070 -0.120 0.000 2.489 80 H HA -0.051 4.504 4.556 -0.001 0.000 0.293 80 H C 2.056 177.305 175.328 -0.132 0.000 1.066 80 H CA 1.544 57.417 56.048 -0.290 0.000 1.305 80 H CB 0.448 29.764 29.762 -0.743 0.000 1.386 80 H HN 0.822 nan 8.280 nan 0.000 0.551 81 E N 0.597 120.839 120.200 0.068 0.000 2.028 81 E HA -0.195 4.154 4.350 -0.001 0.000 0.190 81 E C 1.941 178.598 176.600 0.095 0.000 0.984 81 E CA 0.574 57.021 56.400 0.078 0.000 0.800 81 E CB -0.179 29.546 29.700 0.041 0.000 0.758 81 E HN 0.415 nan 8.360 nan 0.000 0.448 82 Y N 1.002 121.233 120.300 -0.115 0.000 2.165 82 Y HA -0.282 4.267 4.550 -0.002 0.000 0.286 82 Y C 2.246 178.032 175.900 -0.190 0.000 1.155 82 Y CA 2.293 60.273 58.100 -0.202 0.000 1.164 82 Y CB -0.124 38.125 38.460 -0.350 0.000 0.978 82 Y HN 0.250 nan 8.280 nan 0.000 0.513 83 H N -0.957 118.238 119.070 0.209 0.000 2.363 83 H HA 0.002 4.558 4.556 -0.001 0.000 0.301 83 H C 2.370 177.832 175.328 0.223 0.000 1.074 83 H CA 1.153 57.298 56.048 0.161 0.000 1.354 83 H CB -0.794 28.933 29.762 -0.059 0.000 1.397 83 H HN 0.476 nan 8.280 nan 0.000 0.516 84 A N 1.105 124.186 122.820 0.435 0.000 1.972 84 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 84 A C 2.361 180.035 177.584 0.150 0.000 1.169 84 A CA 1.643 53.887 52.037 0.344 0.000 0.635 84 A CB -0.342 18.945 19.000 0.479 0.000 0.810 84 A HN 0.465 nan 8.150 nan 0.000 0.446 85 E N -0.787 119.458 120.200 0.074 0.000 2.072 85 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 85 E C 2.004 178.581 176.600 -0.039 0.000 0.985 85 E CA 1.488 57.880 56.400 -0.015 0.000 0.801 85 E CB -0.164 29.482 29.700 -0.091 0.000 0.750 85 E HN 0.518 nan 8.360 nan 0.000 0.452 86 T N 1.539 116.059 114.554 -0.055 0.000 2.607 86 T HA -0.185 4.164 4.350 -0.001 0.000 0.267 86 T C 1.902 176.617 174.700 0.025 0.000 1.049 86 T CA 1.737 63.818 62.100 -0.031 0.000 1.162 86 T CB -0.285 68.611 68.868 0.047 0.000 0.863 86 T HN 0.209 nan 8.240 nan 0.000 0.424 87 I N 0.545 121.155 120.570 0.066 0.000 2.399 87 I HA -0.191 3.978 4.170 -0.001 0.000 0.254 87 I C 2.705 178.840 176.117 0.031 0.000 1.146 87 I CA 1.127 62.458 61.300 0.053 0.000 1.412 87 I CB -0.322 37.713 38.000 0.059 0.000 1.076 87 I HN 0.136 nan 8.210 nan 0.000 0.432 88 K N 1.242 121.657 120.400 0.026 0.000 2.001 88 K HA -0.114 4.205 4.320 -0.001 0.000 0.208 88 K C 1.700 178.305 176.600 0.007 0.000 1.048 88 K CA 1.555 57.851 56.287 0.015 0.000 0.932 88 K CB -0.391 32.116 32.500 0.012 0.000 0.715 88 K HN 0.458 nan 8.250 nan 0.000 0.437 89 N N 0.354 119.051 118.700 -0.005 0.000 2.289 89 N HA -0.143 4.596 4.740 -0.001 0.000 0.184 89 N C 1.801 177.318 175.510 0.011 0.000 1.016 89 N CA 0.617 53.662 53.050 -0.007 0.000 0.872 89 N CB 0.101 38.573 38.487 -0.024 0.000 0.973 89 N HN -0.065 nan 8.380 nan 0.000 0.433 90 V N 1.569 121.495 119.914 0.019 0.000 2.270 90 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 90 V C 2.046 178.169 176.094 0.048 0.000 1.043 90 V CA 1.680 63.999 62.300 0.032 0.000 1.014 90 V CB -0.281 31.559 31.823 0.029 0.000 0.645 90 V HN 0.274 nan 8.190 nan 0.000 0.447 91 R N -1.008 119.518 120.500 0.043 0.000 2.236 91 R HA -0.043 4.296 4.340 -0.001 0.000 0.208 91 R C 2.253 178.590 176.300 0.061 0.000 1.036 91 R CA 1.281 57.417 56.100 0.060 0.000 1.001 91 R CB -0.437 29.891 30.300 0.047 0.000 0.896 91 R HN 0.397 nan 8.270 nan 0.000 0.464 92 T N 0.684 115.260 114.554 0.036 0.000 2.851 92 T HA -0.005 4.344 4.350 -0.001 0.000 0.262 92 T C 1.914 176.618 174.700 0.006 0.000 1.043 92 T CA 1.258 63.367 62.100 0.016 0.000 1.140 92 T CB -0.025 68.842 68.868 -0.002 0.000 0.872 92 T HN 0.359 nan 8.240 nan 0.000 0.446 93 A N 0.958 123.791 122.820 0.022 0.000 1.898 93 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 93 A C 2.503 180.152 177.584 0.108 0.000 1.181 93 A CA 2.091 54.140 52.037 0.020 0.000 0.620 93 A CB -1.220 17.823 19.000 0.073 0.000 0.819 93 A HN 0.471 nan 8.150 nan 0.000 0.442 94 T N 0.429 115.095 114.554 0.187 0.000 2.607 94 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 94 T C 1.661 176.590 174.700 0.381 0.000 1.049 94 T CA 1.603 63.880 62.100 0.294 0.000 1.162 94 T CB -0.324 68.660 68.868 0.194 0.000 0.863 94 T HN 0.458 nan 8.240 nan 0.000 0.424 95 E N 1.252 121.600 120.200 0.247 0.000 2.401 95 E HA -0.052 4.297 4.350 -0.001 0.000 0.199 95 E C 2.354 179.007 176.600 0.087 0.000 1.023 95 E CA 0.532 57.056 56.400 0.207 0.000 0.859 95 E CB -0.554 29.216 29.700 0.117 0.000 0.780 95 E HN 0.549 nan 8.360 nan 0.000 0.523 96 S N -0.230 115.441 115.700 -0.048 0.000 2.442 96 S HA -0.115 4.354 4.470 -0.001 0.000 0.236 96 S C 1.307 175.711 174.600 -0.327 0.000 1.007 96 S CA 0.610 58.638 58.200 -0.286 0.000 0.965 96 S CB -0.211 62.651 63.200 -0.563 0.000 0.773 96 S HN 0.176 nan 8.310 nan 0.000 0.504 97 F N 0.891 120.939 119.950 0.163 0.000 2.695 97 F HA 0.561 5.087 4.527 -0.001 0.000 0.303 97 F C 2.028 178.018 175.800 0.317 0.000 1.091 97 F CA -0.046 58.080 58.000 0.210 0.000 1.300 97 F CB -0.227 38.880 39.000 0.179 0.000 1.071 97 F HN 0.253 nan 8.300 nan 0.000 0.578 98 A N -0.144 122.859 122.820 0.306 0.000 2.239 98 A HA -0.003 4.316 4.320 -0.001 0.000 0.209 98 A C 2.044 179.584 177.584 -0.073 0.000 1.171 98 A CA 1.158 53.128 52.037 -0.112 0.000 0.768 98 A CB -0.818 17.960 19.000 -0.369 0.000 0.790 98 A HN 0.335 nan 8.150 nan 0.000 0.478 99 S N 0.043 115.762 115.700 0.031 0.000 2.325 99 S HA -0.084 4.385 4.470 -0.001 0.000 0.214 99 S C 0.846 175.464 174.600 0.031 0.000 1.031 99 S CA 0.730 58.940 58.200 0.015 0.000 0.972 99 S CB -0.501 62.713 63.200 0.024 0.000 0.908 99 S HN 0.554 nan 8.310 nan 0.000 0.453 100 D N 3.968 124.416 120.400 0.080 0.000 2.435 100 D HA 0.299 4.938 4.640 -0.001 0.000 0.230 100 D C -1.785 174.583 176.300 0.112 0.000 1.215 100 D CA -2.502 51.547 54.000 0.082 0.000 0.947 100 D CB 0.994 41.847 40.800 0.089 0.000 1.048 100 D HN 0.040 nan 8.370 nan 0.000 0.512 101 P HA -0.180 nan 4.420 nan 0.000 0.222 101 P C 1.283 178.657 177.300 0.124 0.000 1.142 101 P CA 0.601 63.749 63.100 0.081 0.000 0.788 101 P CB 0.206 31.920 31.700 0.023 0.000 0.767 102 I N -1.210 119.411 120.570 0.084 0.000 2.162 102 I HA -0.123 4.046 4.170 -0.001 0.000 0.238 102 I C 1.770 177.918 176.117 0.050 0.000 1.076 102 I CA 1.223 62.554 61.300 0.052 0.000 1.353 102 I CB -1.650 36.361 38.000 0.018 0.000 1.063 102 I HN -0.053 nan 8.210 nan 0.000 0.408 103 L N 0.018 121.280 121.223 0.064 0.000 2.653 103 L HA 0.074 4.413 4.340 -0.001 0.000 0.232 103 L C 0.085 176.995 176.870 0.068 0.000 1.169 103 L CA -0.065 54.793 54.840 0.029 0.000 0.951 103 L CB -1.582 40.477 42.059 -0.000 0.000 1.181 103 L HN 0.125 nan 8.230 nan 0.000 0.460 104 Y N 1.164 121.482 120.300 0.031 0.000 2.316 104 Y HA 0.511 5.060 4.550 -0.001 0.000 0.331 104 Y C 0.177 176.104 175.900 0.044 0.000 1.083 104 Y CA -0.633 57.508 58.100 0.070 0.000 1.206 104 Y CB 0.435 38.952 38.460 0.094 0.000 1.195 104 Y HN 0.098 nan 8.280 nan 0.000 0.497 105 R N 6.970 126.944 120.500 -0.876 0.000 2.513 105 R HA 0.425 4.764 4.340 -0.001 0.000 0.301 105 R C -2.784 173.071 176.300 -0.742 0.000 0.968 105 R CA -1.992 53.736 56.100 -0.619 0.000 0.872 105 R CB 1.438 31.545 30.300 -0.322 0.000 1.177 105 R HN 0.482 nan 8.270 nan 0.000 0.444 106 P HA 0.125 nan 4.420 nan 0.000 0.271 106 P C -0.896 176.408 177.300 0.006 0.000 1.218 106 P CA -0.331 62.728 63.100 -0.069 0.000 0.780 106 P CB 0.878 32.658 31.700 0.134 0.000 0.901 107 V N 2.056 121.974 119.914 0.006 0.000 2.524 107 V HA 0.516 4.636 4.120 -0.001 0.000 0.297 107 V C 0.101 176.184 176.094 -0.019 0.000 1.035 107 V CA -0.917 61.339 62.300 -0.074 0.000 0.867 107 V CB 1.515 33.298 31.823 -0.067 0.000 1.004 107 V HN 0.664 nan 8.190 nan 0.000 0.426 108 A N 4.672 127.462 122.820 -0.050 0.000 2.371 108 A HA 0.710 5.029 4.320 -0.001 0.000 0.257 108 A C -0.264 177.304 177.584 -0.026 0.000 1.089 108 A CA -0.227 51.817 52.037 0.011 0.000 0.794 108 A CB 0.800 19.843 19.000 0.071 0.000 1.029 108 A HN 0.718 nan 8.150 nan 0.000 0.488 109 V N 1.609 121.508 119.914 -0.025 0.000 2.370 109 V HA 0.619 4.738 4.120 -0.001 0.000 0.283 109 V C 0.428 176.445 176.094 -0.128 0.000 1.023 109 V CA 0.097 62.359 62.300 -0.062 0.000 0.857 109 V CB 1.067 32.863 31.823 -0.045 0.000 0.985 109 V HN 1.175 nan 8.190 nan 0.000 0.443 110 A N 5.419 128.109 122.820 -0.217 0.000 2.356 110 A HA 0.802 5.121 4.320 -0.001 0.000 0.310 110 A C -1.012 176.304 177.584 -0.447 0.000 1.075 110 A CA -0.554 51.216 52.037 -0.444 0.000 0.746 110 A CB 1.345 19.837 19.000 -0.846 0.000 1.221 110 A HN 0.872 nan 8.150 nan 0.000 0.443 111 L N 2.551 123.513 121.223 -0.434 0.000 2.257 111 L HA 0.373 4.712 4.340 -0.001 0.000 0.290 111 L C -0.788 175.884 176.870 -0.330 0.000 1.044 111 L CA -0.484 54.135 54.840 -0.369 0.000 0.810 111 L CB 0.761 42.515 42.059 -0.508 0.000 1.193 111 L HN 0.704 nan 8.230 nan 0.000 0.425 112 D N 4.003 124.326 120.400 -0.129 0.000 2.359 112 D HA 0.096 4.735 4.640 -0.001 0.000 0.230 112 D C -0.085 176.288 176.300 0.123 0.000 1.118 112 D CA -0.144 53.873 54.000 0.029 0.000 0.844 112 D CB 1.336 42.200 40.800 0.107 0.000 1.059 112 D HN 0.456 nan 8.370 nan 0.000 0.493 113 T N 2.883 117.479 114.554 0.070 0.000 2.908 113 T HA -0.065 4.284 4.350 -0.001 0.000 0.325 113 T C 1.485 176.285 174.700 0.167 0.000 1.092 113 T CA 0.416 62.569 62.100 0.088 0.000 1.125 113 T CB 0.965 69.879 68.868 0.078 0.000 1.016 113 T HN 0.396 nan 8.240 nan 0.000 0.550 114 K N 1.536 122.043 120.400 0.179 0.000 2.005 114 K HA 0.230 4.550 4.320 -0.001 0.000 0.206 114 K C 1.245 177.972 176.600 0.212 0.000 1.044 114 K CA 0.915 57.320 56.287 0.197 0.000 0.942 114 K CB -0.563 32.048 32.500 0.186 0.000 0.727 114 K HN 0.968 nan 8.250 nan 0.000 0.439 115 G N 0.566 109.475 108.800 0.181 0.000 2.752 115 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.234 115 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.234 115 G C -2.517 172.471 174.900 0.147 0.000 1.367 115 G CA -0.377 44.842 45.100 0.198 0.000 0.879 115 G HN 0.175 nan 8.290 nan 0.000 0.563 116 P HA 0.233 nan 4.420 nan 0.000 0.230 116 P C -0.038 177.123 177.300 -0.231 0.000 1.791 116 P CA 0.511 63.578 63.100 -0.055 0.000 1.020 116 P CB -0.569 31.083 31.700 -0.080 0.000 1.977 117 E N 0.716 120.846 120.200 -0.117 0.000 2.299 117 E HA 0.643 4.992 4.350 -0.001 0.000 0.260 117 E C -0.793 175.741 176.600 -0.110 0.000 0.944 117 E CA -1.284 55.017 56.400 -0.165 0.000 0.815 117 E CB 1.588 31.336 29.700 0.081 0.000 1.252 117 E HN 0.012 nan 8.360 nan 0.000 0.418 118 I N 1.390 121.887 120.570 -0.121 0.000 2.382 118 I HA 0.355 4.524 4.170 -0.001 0.000 0.286 118 I C -0.296 175.810 176.117 -0.018 0.000 1.002 118 I CA -0.822 60.424 61.300 -0.090 0.000 1.135 118 I CB 1.027 38.927 38.000 -0.167 0.000 1.288 118 I HN 0.284 nan 8.210 nan 0.000 0.448 119 R N 3.509 124.012 120.500 0.005 0.000 2.778 119 R HA 0.559 4.898 4.340 -0.001 0.000 0.277 119 R C -0.354 175.972 176.300 0.044 0.000 0.977 119 R CA -0.795 55.327 56.100 0.036 0.000 0.950 119 R CB 2.094 32.426 30.300 0.054 0.000 1.165 119 R HN 0.411 nan 8.270 nan 0.000 0.474 120 T N 0.117 114.726 114.554 0.091 0.000 2.849 120 T HA 0.398 4.747 4.350 -0.001 0.000 0.284 120 T C 0.714 175.597 174.700 0.305 0.000 1.004 120 T CA -0.026 62.169 62.100 0.158 0.000 1.021 120 T CB 1.165 70.109 68.868 0.127 0.000 1.013 120 T HN 0.641 nan 8.240 nan 0.000 0.527 121 G N 0.647 109.726 108.800 0.464 0.000 2.546 121 G HA2 0.521 4.480 3.960 -0.001 0.000 0.239 121 G HA3 0.521 4.480 3.960 -0.001 0.000 0.239 121 G C -0.789 174.203 174.900 0.154 0.000 1.476 121 G CA -0.609 44.735 45.100 0.406 0.000 1.064 121 G HN 0.639 nan 8.290 nan 0.000 0.561 122 L N 0.941 122.195 121.223 0.053 0.000 2.272 122 L HA 0.332 4.671 4.340 -0.001 0.000 0.289 122 L C -0.142 176.750 176.870 0.038 0.000 1.032 122 L CA -0.719 54.136 54.840 0.024 0.000 0.810 122 L CB 1.555 43.595 42.059 -0.032 0.000 1.205 122 L HN 0.242 nan 8.230 nan 0.000 0.422 123 I N 4.773 125.375 120.570 0.055 0.000 2.517 123 I HA -0.034 4.135 4.170 -0.001 0.000 0.285 123 I C 0.984 177.123 176.117 0.035 0.000 1.106 123 I CA 0.114 61.448 61.300 0.057 0.000 1.402 123 I CB 0.374 38.417 38.000 0.071 0.000 1.399 123 I HN 0.699 nan 8.210 nan 0.000 0.535 124 K N 4.649 125.067 120.400 0.029 0.000 2.948 124 K HA -0.259 4.060 4.320 -0.001 0.000 0.253 124 K C 1.027 177.625 176.600 -0.004 0.000 0.970 124 K CA 0.687 56.982 56.287 0.013 0.000 0.716 124 K CB -1.536 30.975 32.500 0.020 0.000 1.249 124 K HN 1.134 nan 8.250 nan 0.000 0.483 125 G N -0.634 108.156 108.800 -0.017 0.000 2.155 125 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.257 125 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.257 125 G C -0.056 174.831 174.900 -0.022 0.000 0.983 125 G CA 0.405 45.485 45.100 -0.033 0.000 0.676 125 G HN 0.546 nan 8.290 nan 0.000 0.528 126 S N -0.693 115.004 115.700 -0.005 0.000 2.454 126 S HA 0.626 5.096 4.470 -0.001 0.000 0.306 126 S C 1.362 175.965 174.600 0.004 0.000 1.100 126 S CA 0.674 58.875 58.200 0.002 0.000 1.087 126 S CB 1.341 64.550 63.200 0.015 0.000 1.019 126 S HN 1.225 nan 8.310 nan 0.000 0.480 127 G N 1.797 110.589 108.800 -0.013 0.000 2.848 127 G HA2 0.057 4.016 3.960 -0.001 0.000 0.208 127 G HA3 0.057 4.016 3.960 -0.001 0.000 0.208 127 G C 0.972 175.879 174.900 0.012 0.000 1.152 127 G CA 0.787 45.878 45.100 -0.014 0.000 0.789 127 G HN 0.849 nan 8.290 nan 0.000 0.531 128 T N -3.490 111.076 114.554 0.019 0.000 3.043 128 T HA 0.634 4.983 4.350 -0.001 0.000 0.272 128 T C 0.917 175.642 174.700 0.041 0.000 0.990 128 T CA 0.509 62.626 62.100 0.028 0.000 0.897 128 T CB 0.590 69.473 68.868 0.025 0.000 1.111 128 T HN 0.258 nan 8.240 nan 0.000 0.529 129 A N 1.550 124.399 122.820 0.047 0.000 2.286 129 A HA 0.733 5.052 4.320 -0.001 0.000 0.286 129 A C 0.095 177.731 177.584 0.087 0.000 1.097 129 A CA -0.630 51.443 52.037 0.060 0.000 0.821 129 A CB 0.614 19.643 19.000 0.049 0.000 1.076 129 A HN 0.716 nan 8.150 nan 0.000 0.490 130 E N -0.400 119.867 120.200 0.111 0.000 2.423 130 E HA 0.622 4.971 4.350 -0.001 0.000 0.280 130 E C -2.243 174.456 176.600 0.165 0.000 1.030 130 E CA -0.674 55.822 56.400 0.160 0.000 0.812 130 E CB 1.787 31.617 29.700 0.216 0.000 1.313 130 E HN 0.800 nan 8.360 nan 0.000 0.456 131 V N 0.802 120.797 119.914 0.135 0.000 3.087 131 V HA 0.383 4.503 4.120 -0.001 0.000 0.306 131 V C -1.532 174.429 176.094 -0.220 0.000 1.187 131 V CA -0.596 61.708 62.300 0.006 0.000 0.999 131 V CB 2.025 33.849 31.823 0.001 0.000 1.049 131 V HN 0.823 nan 8.190 nan 0.000 0.431 132 E N 4.496 124.431 120.200 -0.442 0.000 2.081 132 E HA 0.421 4.770 4.350 -0.001 0.000 0.276 132 E C -1.192 175.187 176.600 -0.368 0.000 0.950 132 E CA -0.688 55.241 56.400 -0.786 0.000 0.776 132 E CB 0.994 30.019 29.700 -1.125 0.000 1.094 132 E HN 0.460 nan 8.360 nan 0.000 0.402 133 L N 3.606 124.679 121.223 -0.251 0.000 2.453 133 L HA 0.346 4.685 4.340 -0.001 0.000 0.261 133 L C 0.628 177.431 176.870 -0.112 0.000 1.179 133 L CA 0.122 54.886 54.840 -0.127 0.000 0.813 133 L CB 0.277 42.300 42.059 -0.061 0.000 1.110 133 L HN 0.531 nan 8.230 nan 0.000 0.466 134 K N 0.803 121.162 120.400 -0.068 0.000 2.267 134 K HA 0.315 4.634 4.320 -0.001 0.000 0.246 134 K C -0.583 176.002 176.600 -0.025 0.000 0.954 134 K CA -1.032 55.227 56.287 -0.047 0.000 0.824 134 K CB 2.298 34.773 32.500 -0.041 0.000 1.167 134 K HN 0.401 nan 8.250 nan 0.000 0.431 135 K N 0.054 120.446 120.400 -0.014 0.000 2.412 135 K HA 0.090 4.409 4.320 -0.001 0.000 0.281 135 K C 0.694 177.289 176.600 -0.008 0.000 1.027 135 K CA 1.240 57.523 56.287 -0.006 0.000 0.989 135 K CB 0.168 32.670 32.500 0.002 0.000 0.935 135 K HN 0.785 nan 8.250 nan 0.000 0.475 136 G N 1.909 110.704 108.800 -0.008 0.000 2.199 136 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.254 136 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.254 136 G C 0.165 175.059 174.900 -0.010 0.000 0.982 136 G CA 0.105 45.200 45.100 -0.008 0.000 0.632 136 G HN 0.912 nan 8.290 nan 0.000 0.529 137 A N -0.169 122.644 122.820 -0.012 0.000 2.296 137 A HA 0.799 5.118 4.320 -0.001 0.000 0.264 137 A C 0.787 178.365 177.584 -0.010 0.000 1.097 137 A CA 1.145 53.174 52.037 -0.012 0.000 0.811 137 A CB 0.578 19.567 19.000 -0.017 0.000 1.072 137 A HN 1.764 nan 8.150 nan 0.000 0.495 138 T N -0.593 113.957 114.554 -0.007 0.000 2.859 138 T HA 0.595 4.944 4.350 -0.001 0.000 0.281 138 T C -0.879 173.822 174.700 0.002 0.000 1.005 138 T CA -0.456 61.643 62.100 -0.001 0.000 1.025 138 T CB 0.646 69.517 68.868 0.005 0.000 0.977 138 T HN 0.880 nan 8.240 nan 0.000 0.458 139 L N 2.762 123.991 121.223 0.009 0.000 2.455 139 L HA 0.665 5.005 4.340 -0.001 0.000 0.264 139 L C -0.915 175.977 176.870 0.037 0.000 0.968 139 L CA -0.581 54.269 54.840 0.016 0.000 0.827 139 L CB 2.152 44.217 42.059 0.010 0.000 1.317 139 L HN 0.895 nan 8.230 nan 0.000 0.407 140 K N 5.363 125.792 120.400 0.048 0.000 2.244 140 K HA 0.664 4.983 4.320 -0.001 0.000 0.260 140 K C -1.491 175.167 176.600 0.097 0.000 0.951 140 K CA -0.528 55.820 56.287 0.101 0.000 0.826 140 K CB 1.171 33.727 32.500 0.094 0.000 1.108 140 K HN 0.667 nan 8.250 nan 0.000 0.433 141 I N 3.084 123.732 120.570 0.130 0.000 2.336 141 I HA 0.207 4.376 4.170 -0.001 0.000 0.292 141 I C 0.288 176.497 176.117 0.153 0.000 0.991 141 I CA -0.603 60.753 61.300 0.094 0.000 1.227 141 I CB 1.842 39.859 38.000 0.029 0.000 1.366 141 I HN 0.633 nan 8.210 nan 0.000 0.466 142 T N 5.332 119.953 114.554 0.111 0.000 2.927 142 T HA 0.651 5.000 4.350 -0.001 0.000 0.286 142 T C 0.376 175.116 174.700 0.067 0.000 1.040 142 T CA -0.462 61.715 62.100 0.128 0.000 1.010 142 T CB 1.283 70.178 68.868 0.046 0.000 1.177 142 T HN 0.517 nan 8.240 nan 0.000 0.546 143 L N 0.806 122.097 121.223 0.115 0.000 3.016 143 L HA 0.395 4.735 4.340 -0.001 0.000 0.267 143 L C 0.273 177.396 176.870 0.420 0.000 1.182 143 L CA -0.269 54.611 54.840 0.067 0.000 0.997 143 L CB 0.520 42.564 42.059 -0.025 0.000 1.354 143 L HN 0.472 nan 8.230 nan 0.000 0.569 144 D N 1.326 121.999 120.400 0.455 0.000 2.357 144 D HA -0.032 4.607 4.640 -0.001 0.000 0.265 144 D C 1.069 177.668 176.300 0.498 0.000 1.334 144 D CA 0.459 54.732 54.000 0.456 0.000 0.984 144 D CB 0.265 41.338 40.800 0.455 0.000 1.077 144 D HN 0.180 nan 8.370 nan 0.000 0.514 145 N N 2.596 121.497 118.700 0.335 0.000 2.242 145 N HA -0.258 4.481 4.740 -0.001 0.000 0.191 145 N C 1.218 176.607 175.510 -0.202 0.000 1.005 145 N CA 0.950 54.000 53.050 0.000 0.000 0.877 145 N CB 0.088 38.596 38.487 0.036 0.000 0.983 145 N HN 0.429 nan 8.380 nan 0.000 0.439 146 A N -0.365 122.395 122.820 -0.099 0.000 2.277 146 A HA -0.100 4.219 4.320 -0.001 0.000 0.208 146 A C 0.402 177.413 177.584 -0.954 0.000 1.202 146 A CA 0.881 52.676 52.037 -0.403 0.000 0.762 146 A CB -0.367 18.440 19.000 -0.322 0.000 0.770 146 A HN 0.440 nan 8.150 nan 0.000 0.487 147 Y N -3.545 116.647 120.300 -0.180 0.000 2.666 147 Y HA 0.270 4.819 4.550 -0.001 0.000 0.260 147 Y C 1.737 177.415 175.900 -0.371 0.000 1.089 147 Y CA -0.395 57.614 58.100 -0.152 0.000 1.246 147 Y CB -0.274 38.205 38.460 0.031 0.000 1.353 147 Y HN 0.180 nan 8.280 nan 0.000 0.558 148 M N 0.430 119.551 119.600 -0.799 0.000 2.089 148 M HA -0.291 4.189 4.480 -0.001 0.000 0.257 148 M C 0.693 176.616 176.300 -0.628 0.000 1.071 148 M CA 2.207 56.664 55.300 -1.405 0.000 1.096 148 M CB -0.005 31.864 32.600 -1.219 0.000 1.330 148 M HN 0.307 nan 8.290 nan 0.000 0.403 149 E N -0.941 119.030 120.200 -0.382 0.000 2.499 149 E HA 0.048 4.397 4.350 -0.001 0.000 0.199 149 E C 0.019 176.550 176.600 -0.115 0.000 1.016 149 E CA -0.048 56.230 56.400 -0.203 0.000 0.933 149 E CB 0.425 30.019 29.700 -0.176 0.000 1.050 149 E HN 0.285 nan 8.360 nan 0.000 0.462 150 K N 0.733 121.081 120.400 -0.087 0.000 2.726 150 K HA 0.226 4.545 4.320 -0.001 0.000 0.209 150 K C -0.429 176.233 176.600 0.105 0.000 1.082 150 K CA -0.197 56.092 56.287 0.003 0.000 1.081 150 K CB 0.389 32.872 32.500 -0.028 0.000 0.830 150 K HN 0.070 nan 8.250 nan 0.000 0.470 151 C N 2.497 121.854 119.300 0.096 0.000 2.605 151 C HA 0.324 4.784 4.460 -0.001 0.000 0.404 151 C C 0.695 175.739 174.990 0.091 0.000 1.284 151 C CA -0.388 58.707 59.018 0.129 0.000 2.199 151 C CB -0.115 27.717 27.740 0.152 0.000 2.647 151 C HN 0.677 nan 8.230 nan 0.000 0.604 152 D N -0.445 120.005 120.400 0.084 0.000 2.838 152 D HA 0.128 4.767 4.640 -0.001 0.000 0.334 152 D C 0.323 176.647 176.300 0.040 0.000 1.315 152 D CA -0.702 53.332 54.000 0.056 0.000 0.917 152 D CB 0.014 40.844 40.800 0.050 0.000 1.435 152 D HN 0.544 nan 8.370 nan 0.000 0.517 153 E N -0.347 119.864 120.200 0.018 0.000 2.333 153 E HA -0.154 4.195 4.350 -0.001 0.000 0.200 153 E C 0.537 177.139 176.600 0.003 0.000 1.010 153 E CA 1.568 57.968 56.400 -0.001 0.000 0.841 153 E CB -0.607 29.083 29.700 -0.016 0.000 0.757 153 E HN 0.448 nan 8.360 nan 0.000 0.508 154 N N -0.342 118.366 118.700 0.013 0.000 2.382 154 N HA 0.263 5.002 4.740 -0.001 0.000 0.200 154 N C -0.392 175.122 175.510 0.006 0.000 1.122 154 N CA -0.032 53.021 53.050 0.005 0.000 0.870 154 N CB 1.058 39.544 38.487 -0.002 0.000 1.176 154 N HN -0.020 nan 8.380 nan 0.000 0.474 155 I N 1.394 121.980 120.570 0.027 0.000 2.499 155 I HA 0.310 4.479 4.170 -0.001 0.000 0.288 155 I C -1.426 174.748 176.117 0.096 0.000 1.048 155 I CA -0.503 60.816 61.300 0.031 0.000 1.062 155 I CB 2.776 40.758 38.000 -0.030 0.000 1.238 155 I HN -0.080 nan 8.210 nan 0.000 0.426 156 L N 5.993 127.279 121.223 0.105 0.000 2.343 156 L HA 0.464 4.803 4.340 -0.001 0.000 0.278 156 L C -1.489 175.500 176.870 0.199 0.000 0.996 156 L CA -0.506 54.424 54.840 0.150 0.000 0.831 156 L CB 1.682 43.799 42.059 0.096 0.000 1.232 156 L HN 0.739 nan 8.230 nan 0.000 0.413 157 W N 6.533 127.873 121.300 0.067 0.000 2.417 157 W HA 0.529 5.188 4.660 -0.001 0.000 0.317 157 W C -1.461 175.100 176.519 0.070 0.000 1.121 157 W CA -0.346 57.047 57.345 0.080 0.000 1.208 157 W CB 1.125 30.652 29.460 0.112 0.000 1.253 157 W HN 0.257 nan 8.180 nan 0.000 0.533 158 L N 4.899 125.585 121.223 -0.894 0.000 2.286 158 L HA 0.313 4.652 4.340 -0.001 0.000 0.265 158 L C 0.814 176.749 176.870 -1.559 0.000 1.012 158 L CA -0.340 53.988 54.840 -0.854 0.000 0.818 158 L CB 1.706 43.524 42.059 -0.401 0.000 1.337 158 L HN 0.631 nan 8.230 nan 0.000 0.438 159 D N -1.208 118.716 120.400 -0.793 0.000 2.395 159 D HA -0.038 4.601 4.640 -0.001 0.000 0.213 159 D C -0.450 175.758 176.300 -0.153 0.000 1.110 159 D CA 0.033 53.720 54.000 -0.521 0.000 0.835 159 D CB -0.122 40.602 40.800 -0.126 0.000 0.965 159 D HN 0.277 nan 8.370 nan 0.000 0.505 160 Y N 2.181 122.311 120.300 -0.282 0.000 2.491 160 Y HA 0.302 4.851 4.550 -0.001 0.000 0.334 160 Y C 1.260 177.071 175.900 -0.149 0.000 0.969 160 Y CA -1.034 56.967 58.100 -0.165 0.000 1.241 160 Y CB 1.134 39.514 38.460 -0.134 0.000 1.105 160 Y HN -0.295 nan 8.280 nan 0.000 0.503 161 K N 2.596 122.715 120.400 -0.468 0.000 2.009 161 K HA -0.253 4.066 4.320 -0.001 0.000 0.210 161 K C 1.161 177.474 176.600 -0.478 0.000 1.049 161 K CA 2.035 58.090 56.287 -0.388 0.000 0.929 161 K CB -0.113 32.233 32.500 -0.256 0.000 0.714 161 K HN 0.718 nan 8.250 nan 0.000 0.440 162 N N 0.773 118.964 118.700 -0.848 0.000 2.453 162 N HA -0.060 4.679 4.740 -0.001 0.000 0.183 162 N C 0.477 175.808 175.510 -0.298 0.000 1.041 162 N CA -0.156 52.542 53.050 -0.587 0.000 0.900 162 N CB 0.075 38.220 38.487 -0.570 0.000 0.961 162 N HN 0.123 nan 8.380 nan 0.000 0.443 163 I N 0.813 121.255 120.570 -0.214 0.000 2.455 163 I HA -0.074 4.095 4.170 -0.001 0.000 0.303 163 I C -0.103 176.009 176.117 -0.008 0.000 1.180 163 I CA 0.604 62.009 61.300 0.174 0.000 1.469 163 I CB -0.613 37.612 38.000 0.375 0.000 1.480 163 I HN 0.296 nan 8.210 nan 0.000 0.669 164 C N 5.233 124.515 119.300 -0.030 0.000 4.455 164 C HA -0.027 4.433 4.460 -0.001 0.000 0.439 164 C C 2.102 177.058 174.990 -0.058 0.000 0.959 164 C CA 0.139 59.114 59.018 -0.071 0.000 2.314 164 C CB -0.248 27.437 27.740 -0.092 0.000 2.819 164 C HN 0.793 nan 8.230 nan 0.000 0.375 165 K N 0.822 121.194 120.400 -0.045 0.000 2.459 165 K HA 0.114 4.433 4.320 -0.001 0.000 0.193 165 K C 1.222 177.818 176.600 -0.007 0.000 1.030 165 K CA 1.188 57.456 56.287 -0.032 0.000 1.026 165 K CB 0.102 32.582 32.500 -0.034 0.000 0.809 165 K HN 0.385 nan 8.250 nan 0.000 0.504 166 V N 1.201 121.128 119.914 0.021 0.000 2.878 166 V HA 0.025 4.144 4.120 -0.001 0.000 0.250 166 V C 0.888 176.988 176.094 0.010 0.000 1.075 166 V CA 0.667 62.995 62.300 0.047 0.000 1.096 166 V CB 1.042 32.953 31.823 0.147 0.000 0.724 166 V HN 0.354 nan 8.190 nan 0.000 0.467 167 V N 0.454 120.362 119.914 -0.010 0.000 3.019 167 V HA 0.626 4.746 4.120 -0.001 0.000 0.317 167 V C -1.707 174.358 176.094 -0.048 0.000 1.094 167 V CA -0.683 61.598 62.300 -0.033 0.000 1.000 167 V CB 2.247 34.044 31.823 -0.045 0.000 1.060 167 V HN 0.471 nan 8.190 nan 0.000 0.443 168 D N 2.387 122.756 120.400 -0.052 0.000 2.732 168 D HA 0.361 5.000 4.640 -0.001 0.000 0.229 168 D C -0.528 175.734 176.300 -0.063 0.000 1.152 168 D CA -0.560 53.406 54.000 -0.057 0.000 0.854 168 D CB 2.102 42.876 40.800 -0.043 0.000 1.590 168 D HN 0.496 nan 8.370 nan 0.000 0.468 169 V N 0.920 120.792 119.914 -0.070 0.000 2.872 169 V HA 0.197 4.316 4.120 -0.001 0.000 0.302 169 V C 1.727 177.789 176.094 -0.054 0.000 1.166 169 V CA 2.324 64.583 62.300 -0.068 0.000 1.298 169 V CB 0.333 32.118 31.823 -0.062 0.000 0.894 169 V HN 1.109 nan 8.190 nan 0.000 0.509 170 G N 3.552 112.319 108.800 -0.054 0.000 2.299 170 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.237 170 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.237 170 G C 0.558 175.426 174.900 -0.052 0.000 1.027 170 G CA 0.246 45.319 45.100 -0.046 0.000 0.619 170 G HN 0.847 nan 8.290 nan 0.000 0.513 171 S N 0.226 115.891 115.700 -0.059 0.000 2.611 171 S HA 0.478 4.947 4.470 -0.001 0.000 0.252 171 S C 0.377 174.916 174.600 -0.102 0.000 1.369 171 S CA 0.601 58.762 58.200 -0.065 0.000 0.975 171 S CB 0.776 63.939 63.200 -0.062 0.000 0.937 171 S HN 0.527 nan 8.310 nan 0.000 0.584 172 K N 0.544 120.862 120.400 -0.138 0.000 2.397 172 K HA 0.571 4.891 4.320 -0.001 0.000 0.253 172 K C -1.629 174.750 176.600 -0.368 0.000 0.932 172 K CA -0.407 55.712 56.287 -0.281 0.000 0.795 172 K CB 1.740 34.023 32.500 -0.362 0.000 1.159 172 K HN 0.289 nan 8.250 nan 0.000 0.424 173 V N 3.969 123.647 119.914 -0.394 0.000 2.417 173 V HA 0.410 4.529 4.120 -0.001 0.000 0.291 173 V C -1.051 174.787 176.094 -0.427 0.000 1.024 173 V CA -0.930 61.186 62.300 -0.306 0.000 0.861 173 V CB 0.746 32.478 31.823 -0.151 0.000 0.985 173 V HN 0.580 nan 8.190 nan 0.000 0.436 174 Y N 3.120 123.420 120.300 -0.001 0.000 2.330 174 Y HA 0.651 5.200 4.550 -0.001 0.000 0.336 174 Y C 0.142 176.054 175.900 0.021 0.000 1.036 174 Y CA -0.861 57.247 58.100 0.013 0.000 1.125 174 Y CB 1.766 40.237 38.460 0.018 0.000 1.194 174 Y HN 0.427 nan 8.280 nan 0.000 0.469 175 V N 2.037 122.055 119.914 0.174 0.000 2.495 175 V HA 0.349 4.468 4.120 -0.001 0.000 0.298 175 V C -0.592 175.589 176.094 0.144 0.000 1.031 175 V CA -1.295 61.083 62.300 0.130 0.000 0.871 175 V CB 1.524 33.401 31.823 0.089 0.000 0.988 175 V HN 0.795 nan 8.190 nan 0.000 0.432 176 D N 3.543 124.023 120.400 0.135 0.000 3.437 176 D HA -0.149 4.490 4.640 -0.001 0.000 0.243 176 D C 0.309 176.680 176.300 0.118 0.000 1.104 176 D CA 0.921 54.999 54.000 0.130 0.000 1.009 176 D CB -0.687 40.190 40.800 0.127 0.000 0.937 176 D HN 0.960 nan 8.370 nan 0.000 0.417 177 D N 0.550 121.017 120.400 0.112 0.000 2.733 177 D HA -0.188 4.451 4.640 -0.001 0.000 0.232 177 D C 1.286 177.614 176.300 0.047 0.000 1.161 177 D CA 2.453 56.498 54.000 0.075 0.000 0.653 177 D CB -1.350 39.487 40.800 0.062 0.000 1.052 177 D HN 0.994 nan 8.370 nan 0.000 0.424 178 G N -1.464 107.389 108.800 0.088 0.000 2.157 178 G HA2 -0.381 3.578 3.960 -0.001 0.000 0.248 178 G HA3 -0.381 3.578 3.960 -0.001 0.000 0.248 178 G C 0.904 175.889 174.900 0.142 0.000 0.979 178 G CA 0.526 45.677 45.100 0.084 0.000 0.650 178 G HN 0.468 nan 8.290 nan 0.000 0.529 179 L N 0.498 121.799 121.223 0.130 0.000 1.989 179 L HA 0.259 4.599 4.340 -0.001 0.000 0.211 179 L C 1.402 178.355 176.870 0.137 0.000 1.071 179 L CA 1.797 56.709 54.840 0.121 0.000 0.749 179 L CB -0.216 41.914 42.059 0.118 0.000 0.890 179 L HN 0.377 nan 8.230 nan 0.000 0.431 180 I N -0.147 120.513 120.570 0.150 0.000 2.404 180 I HA 0.226 4.395 4.170 -0.001 0.000 0.293 180 I C -0.056 176.147 176.117 0.144 0.000 0.992 180 I CA -0.226 61.149 61.300 0.124 0.000 1.149 180 I CB 1.180 39.227 38.000 0.078 0.000 1.315 180 I HN 0.047 nan 8.210 nan 0.000 0.446 181 S N 7.846 123.595 115.700 0.080 0.000 2.498 181 S HA 0.650 5.119 4.470 -0.001 0.000 0.324 181 S C -0.757 173.758 174.600 -0.142 0.000 1.071 181 S CA -0.629 57.509 58.200 -0.104 0.000 1.113 181 S CB 0.298 63.503 63.200 0.009 0.000 0.976 181 S HN 0.466 nan 8.310 nan 0.000 0.462 182 L N 4.509 125.601 121.223 -0.220 0.000 2.329 182 L HA 0.555 4.894 4.340 -0.001 0.000 0.279 182 L C 0.124 176.886 176.870 -0.180 0.000 1.014 182 L CA -0.693 54.057 54.840 -0.150 0.000 0.814 182 L CB 1.793 43.791 42.059 -0.102 0.000 1.257 182 L HN 0.620 nan 8.230 nan 0.000 0.424 183 Q N 2.312 122.040 119.800 -0.119 0.000 2.340 183 Q HA 0.326 4.665 4.340 -0.001 0.000 0.259 183 Q C -0.959 174.990 176.000 -0.085 0.000 0.964 183 Q CA -0.721 55.018 55.803 -0.107 0.000 0.900 183 Q CB 1.935 30.627 28.738 -0.078 0.000 1.228 183 Q HN 0.488 nan 8.270 nan 0.000 0.449 184 V N 5.576 125.435 119.914 -0.092 0.000 2.475 184 V HA -0.106 4.013 4.120 -0.001 0.000 0.292 184 V C 0.938 176.988 176.094 -0.073 0.000 1.003 184 V CA 1.047 63.295 62.300 -0.087 0.000 1.120 184 V CB 0.440 32.206 31.823 -0.095 0.000 0.937 184 V HN 0.870 nan 8.190 nan 0.000 0.476 185 K N 2.774 123.135 120.400 -0.065 0.000 2.399 185 K HA 0.257 4.576 4.320 -0.001 0.000 0.196 185 K C 0.227 176.795 176.600 -0.054 0.000 1.117 185 K CA 0.234 56.492 56.287 -0.049 0.000 0.965 185 K CB 0.609 33.091 32.500 -0.030 0.000 0.983 185 K HN 0.739 nan 8.250 nan 0.000 0.531 186 Q N 0.185 119.935 119.800 -0.083 0.000 2.320 186 Q HA 0.295 4.634 4.340 -0.001 0.000 0.272 186 Q C -1.606 174.238 176.000 -0.261 0.000 1.023 186 Q CA -0.684 55.055 55.803 -0.107 0.000 0.855 186 Q CB 2.619 31.345 28.738 -0.021 0.000 1.367 186 Q HN -0.173 nan 8.270 nan 0.000 0.406 187 K N 0.924 121.163 120.400 -0.269 0.000 2.164 187 K HA 0.699 5.019 4.320 -0.001 0.000 0.258 187 K C -0.190 176.124 176.600 -0.475 0.000 0.951 187 K CA -0.472 55.575 56.287 -0.400 0.000 0.844 187 K CB 2.005 34.365 32.500 -0.233 0.000 1.099 187 K HN 0.757 nan 8.250 nan 0.000 0.435 188 G N 1.444 109.778 108.800 -0.776 0.000 3.039 188 G HA2 0.426 4.385 3.960 -0.001 0.000 0.159 188 G HA3 0.426 4.385 3.960 -0.001 0.000 0.159 188 G C -2.095 172.725 174.900 -0.134 0.000 1.284 188 G CA -0.395 44.486 45.100 -0.365 0.000 0.996 188 G HN 0.381 nan 8.290 nan 0.000 0.592 189 P HA 0.277 nan 4.420 nan 0.000 0.324 189 P C -0.211 177.117 177.300 0.046 0.000 1.230 189 P CA 0.431 63.542 63.100 0.018 0.000 1.049 189 P CB 1.960 33.684 31.700 0.041 0.000 1.516 190 D N -1.123 119.372 120.400 0.159 0.000 2.500 190 D HA 0.240 4.879 4.640 -0.001 0.000 0.217 190 D C -0.109 176.366 176.300 0.291 0.000 1.159 190 D CA -0.038 54.071 54.000 0.181 0.000 0.828 190 D CB 0.777 41.683 40.800 0.177 0.000 1.039 190 D HN -0.017 nan 8.370 nan 0.000 0.512 191 F N -0.440 119.485 119.950 -0.041 0.000 3.265 191 F HA 0.427 4.953 4.527 -0.001 0.000 0.328 191 F C -2.554 173.220 175.800 -0.044 0.000 1.117 191 F CA -1.436 56.535 58.000 -0.047 0.000 0.850 191 F CB 0.578 39.550 39.000 -0.046 0.000 1.470 191 F HN -0.292 nan 8.300 nan 0.000 0.473 192 L N 1.150 122.143 121.223 -0.383 0.000 2.465 192 L HA 0.802 5.142 4.340 -0.001 0.000 0.257 192 L C -1.414 175.471 176.870 0.025 0.000 0.988 192 L CA -1.202 53.338 54.840 -0.500 0.000 0.827 192 L CB 1.185 43.054 42.059 -0.317 0.000 1.397 192 L HN 0.642 nan 8.230 nan 0.000 0.410 193 V N 1.126 121.030 119.914 -0.018 0.000 2.347 193 V HA 0.627 4.746 4.120 -0.001 0.000 0.280 193 V C 0.547 176.642 176.094 0.003 0.000 1.021 193 V CA -0.102 62.255 62.300 0.095 0.000 0.847 193 V CB 1.530 33.448 31.823 0.159 0.000 0.990 193 V HN 1.057 nan 8.190 nan 0.000 0.444 194 T N 1.427 115.985 114.554 0.006 0.000 2.926 194 T HA 0.760 5.109 4.350 -0.001 0.000 0.289 194 T C -0.766 173.926 174.700 -0.014 0.000 1.054 194 T CA -0.763 61.324 62.100 -0.022 0.000 1.015 194 T CB 2.511 71.358 68.868 -0.036 0.000 1.167 194 T HN 0.669 nan 8.240 nan 0.000 0.526 195 E N 0.585 120.769 120.200 -0.026 0.000 2.238 195 E HA 0.558 4.908 4.350 -0.001 0.000 0.267 195 E C -1.172 175.412 176.600 -0.028 0.000 0.887 195 E CA -1.078 55.309 56.400 -0.021 0.000 0.769 195 E CB 2.054 31.742 29.700 -0.020 0.000 1.187 195 E HN 0.578 nan 8.360 nan 0.000 0.416 196 V N 4.611 124.512 119.914 -0.020 0.000 2.470 196 V HA 0.021 4.140 4.120 -0.001 0.000 0.276 196 V C 1.003 177.087 176.094 -0.016 0.000 1.040 196 V CA 0.334 62.622 62.300 -0.020 0.000 1.008 196 V CB 0.921 32.734 31.823 -0.016 0.000 0.990 196 V HN 0.867 nan 8.190 nan 0.000 0.477 197 E N 3.350 123.540 120.200 -0.018 0.000 2.230 197 E HA -0.004 4.345 4.350 -0.001 0.000 0.192 197 E C 0.407 177.013 176.600 0.011 0.000 0.987 197 E CA 0.770 57.165 56.400 -0.008 0.000 0.841 197 E CB 0.311 30.001 29.700 -0.017 0.000 0.783 197 E HN 0.978 nan 8.360 nan 0.000 0.481 198 N N -1.296 117.414 118.700 0.017 0.000 2.331 198 N HA 0.316 5.056 4.740 -0.001 0.000 0.280 198 N C -0.336 175.188 175.510 0.024 0.000 1.155 198 N CA -0.706 52.361 53.050 0.029 0.000 0.822 198 N CB 1.659 40.176 38.487 0.051 0.000 1.619 198 N HN -0.079 nan 8.380 nan 0.000 0.476 199 G N -0.602 108.211 108.800 0.021 0.000 2.616 199 G HA2 0.639 4.598 3.960 -0.001 0.000 0.268 199 G HA3 0.639 4.598 3.960 -0.001 0.000 0.268 199 G C 0.096 175.014 174.900 0.031 0.000 1.213 199 G CA -0.117 44.986 45.100 0.006 0.000 0.926 199 G HN 1.023 nan 8.290 nan 0.000 0.523 200 G N -1.890 106.909 108.800 -0.003 0.000 2.337 200 G HA2 0.410 4.369 3.960 -0.001 0.000 0.298 200 G HA3 0.410 4.369 3.960 -0.001 0.000 0.298 200 G C -0.904 173.970 174.900 -0.043 0.000 1.335 200 G CA -0.932 44.217 45.100 0.081 0.000 0.875 200 G HN 0.409 nan 8.290 nan 0.000 0.579 201 F N -0.751 119.224 119.950 0.042 0.000 2.112 201 F HA 0.863 5.390 4.527 -0.001 0.000 0.268 201 F C 0.662 176.491 175.800 0.049 0.000 1.100 201 F CA -0.003 58.022 58.000 0.042 0.000 1.170 201 F CB 0.771 39.794 39.000 0.039 0.000 1.714 201 F HN 0.620 nan 8.300 nan 0.000 0.525 202 L N -0.114 121.238 121.223 0.215 0.000 2.905 202 L HA 0.590 4.929 4.340 -0.001 0.000 0.260 202 L C -0.802 176.154 176.870 0.144 0.000 0.933 202 L CA -0.082 54.842 54.840 0.140 0.000 1.034 202 L CB 0.862 42.965 42.059 0.074 0.000 1.550 202 L HN 0.588 nan 8.230 nan 0.000 0.480 203 G N 1.849 110.735 108.800 0.143 0.000 2.671 203 G HA2 0.687 4.646 3.960 -0.001 0.000 0.275 203 G HA3 0.687 4.646 3.960 -0.001 0.000 0.275 203 G C -1.020 173.955 174.900 0.125 0.000 1.368 203 G CA -0.619 44.562 45.100 0.135 0.000 1.044 203 G HN 0.658 nan 8.290 nan 0.000 0.543 204 S N -0.241 115.533 115.700 0.123 0.000 2.462 204 S HA 0.432 4.901 4.470 -0.001 0.000 0.294 204 S C -0.030 174.627 174.600 0.096 0.000 1.144 204 S CA -0.571 57.690 58.200 0.102 0.000 1.088 204 S CB 1.340 64.585 63.200 0.074 0.000 1.009 204 S HN 0.608 nan 8.310 nan 0.000 0.484 205 K N 0.371 120.812 120.400 0.069 0.000 3.125 205 K HA -0.127 4.193 4.320 -0.001 0.000 0.268 205 K C -0.805 175.780 176.600 -0.027 0.000 1.078 205 K CA 0.410 56.687 56.287 -0.016 0.000 0.775 205 K CB -0.811 31.585 32.500 -0.173 0.000 1.253 205 K HN 0.349 nan 8.250 nan 0.000 0.486 206 K N 0.319 120.769 120.400 0.083 0.000 2.154 206 K HA 0.283 4.602 4.320 -0.001 0.000 0.264 206 K C 0.890 177.547 176.600 0.096 0.000 1.008 206 K CA -0.082 56.276 56.287 0.118 0.000 0.937 206 K CB 0.795 33.374 32.500 0.131 0.000 1.002 206 K HN 0.302 nan 8.250 nan 0.000 0.469 207 G N 0.180 109.051 108.800 0.118 0.000 2.483 207 G HA2 0.395 4.354 3.960 -0.001 0.000 0.248 207 G HA3 0.395 4.354 3.960 -0.001 0.000 0.248 207 G C -0.748 174.210 174.900 0.097 0.000 1.248 207 G CA -0.458 44.710 45.100 0.114 0.000 0.838 207 G HN 0.230 nan 8.290 nan 0.000 0.566 208 V N 3.102 123.050 119.914 0.057 0.000 2.448 208 V HA 0.387 4.506 4.120 -0.001 0.000 0.295 208 V C -0.465 175.639 176.094 0.017 0.000 1.025 208 V CA -1.066 61.258 62.300 0.040 0.000 0.859 208 V CB 1.579 33.400 31.823 -0.003 0.000 0.988 208 V HN 0.747 nan 8.190 nan 0.000 0.431 209 N N 4.887 123.633 118.700 0.077 0.000 2.284 209 N HA 0.536 5.275 4.740 -0.001 0.000 0.300 209 N C -1.562 174.020 175.510 0.119 0.000 1.047 209 N CA -0.618 52.475 53.050 0.072 0.000 0.821 209 N CB 2.734 41.284 38.487 0.104 0.000 1.337 209 N HN 0.297 nan 8.380 nan 0.000 0.482 210 L N 3.146 124.392 121.223 0.038 0.000 2.556 210 L HA 0.356 4.695 4.340 -0.001 0.000 0.243 210 L C -2.307 174.589 176.870 0.043 0.000 1.331 210 L CA -2.112 52.757 54.840 0.048 0.000 0.927 210 L CB 0.153 42.191 42.059 -0.035 0.000 1.219 210 L HN 0.263 nan 8.230 nan 0.000 0.490 211 P HA 0.275 nan 4.420 nan 0.000 0.260 211 P C 1.098 178.413 177.300 0.024 0.000 1.207 211 P CA 0.821 63.946 63.100 0.041 0.000 0.780 211 P CB 0.769 32.486 31.700 0.028 0.000 0.789 212 G N 2.308 111.103 108.800 -0.008 0.000 2.284 212 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.216 212 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.216 212 G C 0.470 175.356 174.900 -0.022 0.000 1.009 212 G CA -0.017 45.071 45.100 -0.020 0.000 0.625 212 G HN 0.813 nan 8.290 nan 0.000 0.501 213 A N 0.367 123.174 122.820 -0.021 0.000 2.455 213 A HA 0.683 5.002 4.320 -0.001 0.000 0.244 213 A C 1.099 178.659 177.584 -0.040 0.000 1.099 213 A CA 1.364 53.384 52.037 -0.029 0.000 0.786 213 A CB 0.350 19.328 19.000 -0.037 0.000 1.051 213 A HN 2.049 nan 8.150 nan 0.000 0.508 214 A N 0.844 123.647 122.820 -0.029 0.000 3.219 214 A HA 0.497 4.816 4.320 -0.001 0.000 0.314 214 A C 0.252 177.826 177.584 -0.018 0.000 1.081 214 A CA 0.118 52.141 52.037 -0.022 0.000 0.995 214 A CB -0.907 18.091 19.000 -0.003 0.000 1.067 214 A HN 2.021 nan 8.150 nan 0.000 0.533 215 V N -0.637 119.222 119.914 -0.091 0.000 2.811 215 V HA 0.485 4.604 4.120 -0.001 0.000 0.302 215 V C -0.521 175.546 176.094 -0.044 0.000 1.063 215 V CA -0.172 62.051 62.300 -0.129 0.000 1.088 215 V CB 0.890 32.392 31.823 -0.536 0.000 0.982 215 V HN 0.615 nan 8.190 nan 0.000 0.485 216 D N 4.517 124.966 120.400 0.082 0.000 2.462 216 D HA 0.545 5.185 4.640 -0.001 0.000 0.249 216 D C -0.590 175.760 176.300 0.084 0.000 1.117 216 D CA -0.213 53.825 54.000 0.064 0.000 0.900 216 D CB 0.750 41.593 40.800 0.071 0.000 1.039 216 D HN 0.592 nan 8.370 nan 0.000 0.516 217 L N 2.162 123.397 121.223 0.020 0.000 2.341 217 L HA 0.516 4.855 4.340 -0.001 0.000 0.278 217 L C -2.017 174.867 176.870 0.023 0.000 1.005 217 L CA -2.153 52.704 54.840 0.029 0.000 0.818 217 L CB 1.786 43.827 42.059 -0.030 0.000 1.259 217 L HN 0.190 nan 8.230 nan 0.000 0.418 218 P HA -0.015 nan 4.420 nan 0.000 0.265 218 P C 0.315 177.640 177.300 0.042 0.000 1.187 218 P CA -0.121 63.003 63.100 0.040 0.000 0.766 218 P CB 0.898 32.625 31.700 0.045 0.000 0.820 219 A N 2.886 125.733 122.820 0.044 0.000 2.019 219 A HA -0.006 4.313 4.320 -0.001 0.000 0.219 219 A C 0.916 178.538 177.584 0.063 0.000 1.164 219 A CA 1.201 53.271 52.037 0.055 0.000 0.644 219 A CB -0.332 18.701 19.000 0.054 0.000 0.805 219 A HN 0.423 nan 8.150 nan 0.000 0.449 220 V N 0.879 120.827 119.914 0.057 0.000 2.380 220 V HA 0.223 4.343 4.120 -0.001 0.000 0.268 220 V C 0.104 176.235 176.094 0.060 0.000 1.008 220 V CA -0.755 61.581 62.300 0.060 0.000 0.823 220 V CB 0.466 32.322 31.823 0.054 0.000 1.053 220 V HN 0.311 nan 8.190 nan 0.000 0.446 221 S N 2.234 117.976 115.700 0.069 0.000 2.527 221 S HA -0.079 4.391 4.470 -0.001 0.000 0.274 221 S C 1.444 176.085 174.600 0.069 0.000 1.349 221 S CA 0.354 58.598 58.200 0.073 0.000 1.011 221 S CB 0.752 64.005 63.200 0.089 0.000 0.837 221 S HN 0.853 nan 8.310 nan 0.000 0.524 222 E N 1.464 121.703 120.200 0.065 0.000 2.072 222 E HA -0.140 4.209 4.350 -0.001 0.000 0.191 222 E C 1.989 178.633 176.600 0.074 0.000 0.985 222 E CA 1.108 57.544 56.400 0.060 0.000 0.801 222 E CB -0.061 29.669 29.700 0.050 0.000 0.750 222 E HN 0.467 nan 8.360 nan 0.000 0.452 223 K N 0.900 121.351 120.400 0.084 0.000 2.044 223 K HA -0.205 4.114 4.320 -0.001 0.000 0.210 223 K C 1.775 178.455 176.600 0.132 0.000 1.049 223 K CA 1.814 58.167 56.287 0.111 0.000 0.927 223 K CB -0.115 32.458 32.500 0.123 0.000 0.713 223 K HN 0.074 nan 8.250 nan 0.000 0.443 224 D N 0.623 121.089 120.400 0.110 0.000 2.133 224 D HA -0.199 4.440 4.640 -0.001 0.000 0.192 224 D C 1.843 178.192 176.300 0.082 0.000 1.001 224 D CA 1.393 55.450 54.000 0.095 0.000 0.844 224 D CB -0.324 40.526 40.800 0.082 0.000 0.944 224 D HN 0.252 nan 8.370 nan 0.000 0.447 225 I N 0.571 121.188 120.570 0.079 0.000 2.286 225 I HA -0.283 3.886 4.170 -0.001 0.000 0.248 225 I C 2.505 178.682 176.117 0.101 0.000 1.115 225 I CA 1.012 62.357 61.300 0.074 0.000 1.392 225 I CB -0.372 37.666 38.000 0.065 0.000 1.065 225 I HN -0.041 nan 8.210 nan 0.000 0.418 226 Q N 1.007 120.884 119.800 0.129 0.000 1.985 226 Q HA -0.247 4.092 4.340 -0.001 0.000 0.207 226 Q C 1.985 178.165 176.000 0.300 0.000 0.996 226 Q CA 2.203 58.121 55.803 0.192 0.000 0.851 226 Q CB -0.173 28.658 28.738 0.155 0.000 0.921 226 Q HN 0.472 nan 8.270 nan 0.000 0.418 227 D N 0.396 120.960 120.400 0.274 0.000 2.133 227 D HA -0.178 4.462 4.640 -0.001 0.000 0.195 227 D C 1.960 178.251 176.300 -0.016 0.000 0.997 227 D CA 1.023 55.105 54.000 0.138 0.000 0.840 227 D CB -0.342 40.508 40.800 0.084 0.000 0.947 227 D HN 0.222 nan 8.370 nan 0.000 0.452 228 L N 0.577 121.804 121.223 0.008 0.000 2.012 228 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 228 L C 2.363 179.235 176.870 0.003 0.000 1.073 228 L CA 1.229 56.052 54.840 -0.027 0.000 0.748 228 L CB -0.371 41.689 42.059 0.001 0.000 0.891 228 L HN 0.008 nan 8.230 nan 0.000 0.431 229 K N -0.709 119.736 120.400 0.075 0.000 2.283 229 K HA -0.157 4.163 4.320 -0.001 0.000 0.202 229 K C 2.012 178.693 176.600 0.135 0.000 1.048 229 K CA 1.036 57.377 56.287 0.091 0.000 0.948 229 K CB -0.272 32.289 32.500 0.102 0.000 0.742 229 K HN 0.175 nan 8.250 nan 0.000 0.458 230 F N 1.853 121.801 119.950 -0.002 0.000 2.146 230 F HA -0.026 4.500 4.527 -0.001 0.000 0.298 230 F C 2.123 177.869 175.800 -0.091 0.000 1.096 230 F CA 1.372 59.357 58.000 -0.025 0.000 1.275 230 F CB -0.726 38.174 39.000 -0.167 0.000 1.008 230 F HN -0.003 nan 8.300 nan 0.000 0.480 231 G N 0.055 108.718 108.800 -0.229 0.000 2.442 231 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.219 231 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.219 231 G C 1.716 176.470 174.900 -0.244 0.000 1.141 231 G CA 1.299 46.193 45.100 -0.343 0.000 0.763 231 G HN 0.343 nan 8.290 nan 0.000 0.554 232 V N 0.650 120.479 119.914 -0.142 0.000 2.358 232 V HA -0.147 3.972 4.120 -0.001 0.000 0.246 232 V C 2.579 178.608 176.094 -0.108 0.000 1.047 232 V CA 2.000 64.244 62.300 -0.094 0.000 1.035 232 V CB -0.567 31.234 31.823 -0.037 0.000 0.658 232 V HN 0.444 nan 8.190 nan 0.000 0.452 233 E N -0.028 120.102 120.200 -0.115 0.000 2.118 233 E HA -0.230 4.119 4.350 -0.001 0.000 0.195 233 E C 2.073 178.555 176.600 -0.196 0.000 0.992 233 E CA 1.094 57.434 56.400 -0.100 0.000 0.804 233 E CB -0.114 29.596 29.700 0.015 0.000 0.741 233 E HN 0.548 nan 8.360 nan 0.000 0.458 234 Q N 0.408 119.983 119.800 -0.375 0.000 2.403 234 Q HA -0.051 4.288 4.340 -0.001 0.000 0.203 234 Q C -0.062 175.822 176.000 -0.193 0.000 0.932 234 Q CA 0.267 55.860 55.803 -0.350 0.000 0.945 234 Q CB 0.155 28.550 28.738 -0.572 0.000 1.045 234 Q HN 0.287 nan 8.270 nan 0.000 0.511 235 D N 0.756 121.070 120.400 -0.144 0.000 2.699 235 D HA -0.151 4.488 4.640 -0.001 0.000 0.239 235 D C 0.040 176.289 176.300 -0.086 0.000 1.136 235 D CA 0.501 54.449 54.000 -0.087 0.000 0.668 235 D CB -1.017 39.751 40.800 -0.054 0.000 1.060 235 D HN 0.155 nan 8.370 nan 0.000 0.429 236 V N -2.114 117.727 119.914 -0.122 0.000 3.376 236 V HA 0.201 4.320 4.120 -0.001 0.000 0.303 236 V C 1.313 177.369 176.094 -0.064 0.000 1.100 236 V CA 0.553 62.785 62.300 -0.113 0.000 1.126 236 V CB 1.165 32.886 31.823 -0.170 0.000 1.085 236 V HN 0.077 nan 8.190 nan 0.000 0.480 237 D N 1.354 121.724 120.400 -0.049 0.000 2.380 237 D HA 0.207 4.846 4.640 -0.001 0.000 0.212 237 D C 0.626 176.927 176.300 0.003 0.000 1.021 237 D CA 1.256 55.255 54.000 -0.001 0.000 0.884 237 D CB 0.726 41.547 40.800 0.035 0.000 1.001 237 D HN 0.809 nan 8.370 nan 0.000 0.506 238 M N -1.115 118.466 119.600 -0.031 0.000 2.773 238 M HA 0.486 4.965 4.480 -0.001 0.000 0.270 238 M C -1.980 174.290 176.300 -0.050 0.000 1.238 238 M CA -0.897 54.408 55.300 0.008 0.000 0.832 238 M CB 2.894 35.559 32.600 0.107 0.000 1.672 238 M HN -0.416 nan 8.290 nan 0.000 0.480 239 V N 2.328 122.266 119.914 0.040 0.000 2.487 239 V HA 0.502 4.621 4.120 -0.001 0.000 0.298 239 V C -1.271 175.002 176.094 0.299 0.000 1.028 239 V CA -0.422 61.897 62.300 0.032 0.000 0.860 239 V CB 1.740 33.559 31.823 -0.008 0.000 0.991 239 V HN 0.661 nan 8.190 nan 0.000 0.427 240 F N 3.509 123.426 119.950 -0.056 0.000 2.377 240 F HA 0.548 5.075 4.527 -0.001 0.000 0.360 240 F C 0.858 176.635 175.800 -0.038 0.000 1.147 240 F CA -1.620 56.352 58.000 -0.045 0.000 1.170 240 F CB 0.563 39.541 39.000 -0.035 0.000 1.339 240 F HN 0.535 nan 8.300 nan 0.000 0.552 241 A N 2.900 125.799 122.820 0.132 0.000 2.539 241 A HA 0.404 4.724 4.320 -0.001 0.000 0.306 241 A C 0.695 178.310 177.584 0.052 0.000 1.392 241 A CA -0.260 51.822 52.037 0.074 0.000 1.060 241 A CB -0.379 18.650 19.000 0.049 0.000 1.134 241 A HN 0.558 nan 8.150 nan 0.000 0.542 242 S N 1.400 117.138 115.700 0.063 0.000 2.558 242 S HA 0.268 4.737 4.470 -0.001 0.000 0.288 242 S C 0.179 174.833 174.600 0.090 0.000 1.318 242 S CA 0.131 58.324 58.200 -0.012 0.000 1.056 242 S CB -0.386 62.851 63.200 0.062 0.000 0.853 242 S HN 0.744 nan 8.310 nan 0.000 0.505 243 F N -0.190 119.783 119.950 0.039 0.000 3.048 243 F HA -0.175 4.351 4.527 -0.001 0.000 0.269 243 F C 0.414 176.229 175.800 0.026 0.000 0.960 243 F CA -0.179 57.838 58.000 0.029 0.000 0.909 243 F CB -1.577 37.438 39.000 0.024 0.000 0.837 243 F HN 0.387 nan 8.300 nan 0.000 0.768 244 I N 0.586 121.235 120.570 0.131 0.000 2.618 244 I HA -0.014 4.155 4.170 -0.001 0.000 0.284 244 I C 1.472 177.646 176.117 0.094 0.000 1.146 244 I CA 0.677 62.034 61.300 0.095 0.000 1.425 244 I CB 1.091 39.117 38.000 0.043 0.000 1.383 244 I HN 0.349 nan 8.210 nan 0.000 0.562 245 R N 4.374 124.922 120.500 0.081 0.000 2.369 245 R HA 0.162 4.501 4.340 -0.001 0.000 0.210 245 R C -0.083 176.243 176.300 0.042 0.000 0.881 245 R CA 0.226 56.367 56.100 0.069 0.000 1.031 245 R CB 0.682 31.025 30.300 0.071 0.000 1.184 245 R HN 0.667 nan 8.270 nan 0.000 0.581 246 K N -2.483 117.939 120.400 0.037 0.000 2.548 246 K HA 0.461 4.781 4.320 -0.001 0.000 0.282 246 K C -0.140 176.479 176.600 0.032 0.000 1.006 246 K CA -0.212 56.090 56.287 0.025 0.000 0.892 246 K CB 1.109 33.627 32.500 0.029 0.000 1.499 246 K HN -0.139 nan 8.250 nan 0.000 0.433 247 A N 0.863 123.705 122.820 0.036 0.000 1.978 247 A HA -0.099 4.220 4.320 -0.001 0.000 0.220 247 A C 2.239 179.963 177.584 0.233 0.000 1.170 247 A CA 2.323 54.412 52.037 0.087 0.000 0.636 247 A CB -1.110 17.962 19.000 0.120 0.000 0.810 247 A HN 0.846 nan 8.150 nan 0.000 0.448 248 A N 0.512 123.431 122.820 0.165 0.000 1.908 248 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 248 A C 1.714 179.392 177.584 0.158 0.000 1.181 248 A CA 1.992 54.120 52.037 0.152 0.000 0.627 248 A CB -0.685 18.339 19.000 0.040 0.000 0.818 248 A HN 0.495 nan 8.150 nan 0.000 0.445 249 D N -0.156 120.303 120.400 0.099 0.000 2.149 249 D HA -0.121 4.518 4.640 -0.001 0.000 0.198 249 D C 2.019 178.359 176.300 0.067 0.000 0.990 249 D CA 1.489 55.534 54.000 0.075 0.000 0.839 249 D CB -0.624 40.213 40.800 0.063 0.000 0.948 249 D HN 0.274 nan 8.370 nan 0.000 0.460 250 V N 0.784 120.727 119.914 0.049 0.000 2.295 250 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 250 V C 2.035 178.101 176.094 -0.046 0.000 1.049 250 V CA 1.739 64.020 62.300 -0.032 0.000 1.024 250 V CB -0.754 30.997 31.823 -0.121 0.000 0.648 250 V HN 0.221 nan 8.190 nan 0.000 0.447 251 H N -0.155 118.912 119.070 -0.004 0.000 2.422 251 H HA -0.135 4.420 4.556 -0.001 0.000 0.298 251 H C 2.321 177.652 175.328 0.005 0.000 1.098 251 H CA 1.692 57.739 56.048 -0.001 0.000 1.315 251 H CB -0.044 29.716 29.762 -0.003 0.000 1.382 251 H HN 0.511 nan 8.280 nan 0.000 0.523 252 E N 0.096 120.380 120.200 0.140 0.000 2.007 252 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 252 E C 2.281 178.915 176.600 0.056 0.000 0.999 252 E CA 1.436 57.886 56.400 0.083 0.000 0.811 252 E CB -0.030 29.711 29.700 0.067 0.000 0.762 252 E HN 0.169 nan 8.360 nan 0.000 0.450 253 V N 1.160 121.099 119.914 0.042 0.000 2.370 253 V HA -0.315 3.804 4.120 -0.001 0.000 0.252 253 V C 2.394 178.497 176.094 0.016 0.000 1.068 253 V CA 2.210 64.525 62.300 0.025 0.000 1.061 253 V CB -0.565 31.267 31.823 0.016 0.000 0.656 253 V HN 0.206 nan 8.190 nan 0.000 0.455 254 R N 0.760 121.268 120.500 0.012 0.000 2.092 254 R HA -0.135 4.205 4.340 -0.001 0.000 0.231 254 R C 2.327 178.640 176.300 0.023 0.000 1.119 254 R CA 1.746 57.849 56.100 0.005 0.000 0.970 254 R CB -0.476 29.816 30.300 -0.013 0.000 0.864 254 R HN 0.482 nan 8.270 nan 0.000 0.440 255 K N 0.623 121.047 120.400 0.041 0.000 2.001 255 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 255 K C 1.868 178.488 176.600 0.033 0.000 1.048 255 K CA 1.613 57.925 56.287 0.042 0.000 0.932 255 K CB -0.135 32.396 32.500 0.052 0.000 0.715 255 K HN 0.177 nan 8.250 nan 0.000 0.437 256 I N 1.813 122.402 120.570 0.032 0.000 2.118 256 I HA -0.311 3.858 4.170 -0.001 0.000 0.241 256 I C 2.517 178.648 176.117 0.022 0.000 1.070 256 I CA 1.029 62.347 61.300 0.029 0.000 1.327 256 I CB -1.315 36.703 38.000 0.030 0.000 1.034 256 I HN 0.166 nan 8.210 nan 0.000 0.405 257 L N 0.531 121.762 121.223 0.014 0.000 2.081 257 L HA -0.104 4.235 4.340 -0.001 0.000 0.212 257 L C 1.717 178.593 176.870 0.010 0.000 1.080 257 L CA 1.745 56.588 54.840 0.005 0.000 0.754 257 L CB -1.656 40.402 42.059 -0.003 0.000 0.893 257 L HN 0.559 nan 8.230 nan 0.000 0.433 258 G N -1.153 107.657 108.800 0.016 0.000 2.598 258 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.269 258 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.269 258 G C 0.953 175.863 174.900 0.017 0.000 1.289 258 G CA 0.370 45.481 45.100 0.019 0.000 0.926 258 G HN 0.224 nan 8.290 nan 0.000 0.567 259 E N 0.112 120.323 120.200 0.018 0.000 2.012 259 E HA -0.146 4.203 4.350 -0.001 0.000 0.197 259 E C 2.570 179.179 176.600 0.015 0.000 1.007 259 E CA 1.486 57.897 56.400 0.017 0.000 0.816 259 E CB -0.370 29.340 29.700 0.018 0.000 0.762 259 E HN 0.525 nan 8.360 nan 0.000 0.451 260 K N -0.526 119.882 120.400 0.014 0.000 2.242 260 K HA -0.173 4.147 4.320 -0.001 0.000 0.206 260 K C 1.325 177.928 176.600 0.005 0.000 1.045 260 K CA 1.311 57.603 56.287 0.010 0.000 0.930 260 K CB -0.161 32.344 32.500 0.009 0.000 0.726 260 K HN 0.132 nan 8.250 nan 0.000 0.462 261 G N 0.643 109.446 108.800 0.005 0.000 4.250 261 G HA2 0.046 4.005 3.960 -0.001 0.000 0.295 261 G HA3 0.046 4.005 3.960 -0.001 0.000 0.295 261 G C 0.574 175.479 174.900 0.007 0.000 1.081 261 G CA -0.440 44.660 45.100 0.001 0.000 0.854 261 G HN 0.251 nan 8.290 nan 0.000 0.524 262 K N -0.735 119.673 120.400 0.014 0.000 2.442 262 K HA 0.033 4.352 4.320 -0.001 0.000 0.198 262 K C 1.132 177.746 176.600 0.024 0.000 1.042 262 K CA 1.078 57.376 56.287 0.018 0.000 0.958 262 K CB -0.052 32.460 32.500 0.020 0.000 0.766 262 K HN 0.269 nan 8.250 nan 0.000 0.474 263 N N 0.528 119.244 118.700 0.027 0.000 2.280 263 N HA 0.143 4.882 4.740 -0.001 0.000 0.192 263 N C -0.360 175.174 175.510 0.040 0.000 1.109 263 N CA -0.348 52.726 53.050 0.040 0.000 0.855 263 N CB 0.378 38.893 38.487 0.046 0.000 0.974 263 N HN 0.074 nan 8.380 nan 0.000 0.482 264 I N 1.465 122.049 120.570 0.023 0.000 2.638 264 I HA 0.101 4.271 4.170 -0.001 0.000 0.286 264 I C 0.315 176.445 176.117 0.021 0.000 1.088 264 I CA -0.095 61.214 61.300 0.016 0.000 1.397 264 I CB 0.563 38.559 38.000 -0.007 0.000 1.414 264 I HN -0.102 nan 8.210 nan 0.000 0.566 265 K N 6.066 126.483 120.400 0.029 0.000 2.185 265 K HA 0.543 4.862 4.320 -0.001 0.000 0.269 265 K C -0.493 176.123 176.600 0.027 0.000 0.987 265 K CA -0.586 55.716 56.287 0.026 0.000 0.865 265 K CB 1.569 34.087 32.500 0.030 0.000 1.090 265 K HN 0.446 nan 8.250 nan 0.000 0.450 266 I N 4.118 124.691 120.570 0.004 0.000 2.304 266 I HA 0.158 4.328 4.170 -0.001 0.000 0.291 266 I C -0.292 175.818 176.117 -0.012 0.000 1.018 266 I CA -0.818 60.485 61.300 0.004 0.000 1.260 266 I CB 0.648 38.636 38.000 -0.022 0.000 1.390 266 I HN 0.247 nan 8.210 nan 0.000 0.475 267 I N 6.018 126.597 120.570 0.015 0.000 2.337 267 I HA 0.163 4.332 4.170 -0.001 0.000 0.285 267 I C 0.415 176.496 176.117 -0.061 0.000 1.041 267 I CA -0.095 61.169 61.300 -0.060 0.000 1.199 267 I CB 0.749 38.658 38.000 -0.152 0.000 1.370 267 I HN 0.395 nan 8.210 nan 0.000 0.470 268 S N 6.169 121.831 115.700 -0.063 0.000 2.533 268 S HA 0.228 4.698 4.470 -0.001 0.000 0.282 268 S C 0.303 174.869 174.600 -0.057 0.000 1.304 268 S CA -0.421 57.753 58.200 -0.044 0.000 1.063 268 S CB 0.180 63.353 63.200 -0.045 0.000 0.881 268 S HN 0.334 nan 8.310 nan 0.000 0.493 269 K N 3.012 123.380 120.400 -0.054 0.000 2.248 269 K HA 0.328 4.647 4.320 -0.001 0.000 0.281 269 K C -0.700 175.856 176.600 -0.073 0.000 1.054 269 K CA -0.523 55.706 56.287 -0.095 0.000 0.903 269 K CB 0.612 33.033 32.500 -0.131 0.000 1.077 269 K HN 0.373 nan 8.250 nan 0.000 0.474 270 I N 4.217 124.753 120.570 -0.056 0.000 2.297 270 I HA 0.060 4.230 4.170 -0.001 0.000 0.291 270 I C 0.755 176.827 176.117 -0.075 0.000 1.033 270 I CA -0.003 61.285 61.300 -0.019 0.000 1.253 270 I CB 0.478 38.493 38.000 0.025 0.000 1.396 270 I HN 0.768 nan 8.210 nan 0.000 0.476 271 E N 4.369 124.524 120.200 -0.074 0.000 2.759 271 E HA 0.155 4.505 4.350 -0.001 0.000 0.220 271 E C -0.443 176.223 176.600 0.110 0.000 0.974 271 E CA -0.415 55.927 56.400 -0.096 0.000 1.148 271 E CB 0.468 29.907 29.700 -0.434 0.000 1.059 271 E HN 0.651 nan 8.360 nan 0.000 0.493 272 N N -0.387 118.398 118.700 0.143 0.000 2.610 272 N HA 0.060 4.799 4.740 -0.001 0.000 0.264 272 N C 0.219 175.801 175.510 0.119 0.000 1.348 272 N CA -0.766 52.391 53.050 0.178 0.000 0.819 272 N CB 0.900 39.536 38.487 0.247 0.000 1.521 272 N HN -0.063 nan 8.380 nan 0.000 0.497 273 H N -0.214 118.880 119.070 0.041 0.000 2.353 273 H HA -0.144 4.411 4.556 -0.001 0.000 0.298 273 H C 1.338 176.684 175.328 0.030 0.000 1.103 273 H CA 2.626 58.685 56.048 0.018 0.000 1.293 273 H CB 0.297 30.061 29.762 0.005 0.000 1.372 273 H HN 0.785 nan 8.280 nan 0.000 0.501 274 E N -0.457 119.795 120.200 0.087 0.000 2.085 274 E HA -0.111 4.238 4.350 -0.001 0.000 0.194 274 E C 2.503 179.105 176.600 0.004 0.000 0.994 274 E CA 1.507 57.931 56.400 0.040 0.000 0.801 274 E CB -0.799 28.947 29.700 0.076 0.000 0.743 274 E HN 0.613 nan 8.360 nan 0.000 0.453 275 G N -0.328 108.495 108.800 0.038 0.000 2.402 275 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.216 275 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.216 275 G C 1.687 176.628 174.900 0.069 0.000 1.162 275 G CA 0.932 46.070 45.100 0.064 0.000 0.777 275 G HN 0.241 nan 8.290 nan 0.000 0.539 276 V N 0.630 120.524 119.914 -0.033 0.000 2.237 276 V HA -0.186 3.933 4.120 -0.001 0.000 0.245 276 V C 2.741 178.797 176.094 -0.065 0.000 1.046 276 V CA 2.200 64.451 62.300 -0.082 0.000 1.007 276 V CB -0.612 31.096 31.823 -0.191 0.000 0.638 276 V HN 0.349 nan 8.190 nan 0.000 0.445 277 R N 0.448 120.823 120.500 -0.207 0.000 2.115 277 R HA -0.187 4.152 4.340 -0.001 0.000 0.239 277 R C 1.996 178.282 176.300 -0.025 0.000 1.133 277 R CA 1.865 57.877 56.100 -0.147 0.000 0.935 277 R CB -0.175 30.018 30.300 -0.179 0.000 0.853 277 R HN 0.463 nan 8.270 nan 0.000 0.433 278 R N 0.182 120.681 120.500 -0.002 0.000 2.547 278 R HA -0.012 4.327 4.340 -0.001 0.000 0.258 278 R C 1.372 177.673 176.300 0.002 0.000 1.115 278 R CA -0.072 56.030 56.100 0.004 0.000 1.152 278 R CB -0.306 29.992 30.300 -0.004 0.000 1.221 278 R HN 0.262 nan 8.270 nan 0.000 0.539 279 F N 3.047 122.958 119.950 -0.065 0.000 2.063 279 F HA -0.293 4.234 4.527 -0.001 0.000 0.298 279 F C 1.398 177.169 175.800 -0.048 0.000 1.109 279 F CA 2.024 59.988 58.000 -0.061 0.000 1.212 279 F CB 0.026 38.981 39.000 -0.075 0.000 0.973 279 F HN 0.014 nan 8.300 nan 0.000 0.480 280 D N 0.227 120.503 120.400 -0.206 0.000 2.106 280 D HA -0.256 4.383 4.640 -0.001 0.000 0.191 280 D C 2.125 178.251 176.300 -0.289 0.000 0.997 280 D CA 2.050 55.892 54.000 -0.263 0.000 0.834 280 D CB -0.768 39.994 40.800 -0.062 0.000 0.956 280 D HN 0.701 nan 8.370 nan 0.000 0.448 281 E N 0.458 120.549 120.200 -0.182 0.000 2.150 281 E HA -0.096 4.253 4.350 -0.001 0.000 0.193 281 E C 2.250 178.750 176.600 -0.168 0.000 0.985 281 E CA 0.556 56.877 56.400 -0.131 0.000 0.814 281 E CB -0.441 29.223 29.700 -0.060 0.000 0.752 281 E HN 0.265 nan 8.360 nan 0.000 0.466 282 I N 1.286 121.716 120.570 -0.233 0.000 2.142 282 I HA -0.261 3.909 4.170 -0.001 0.000 0.240 282 I C 2.629 178.563 176.117 -0.305 0.000 1.078 282 I CA 0.950 62.112 61.300 -0.230 0.000 1.343 282 I CB -0.302 37.563 38.000 -0.225 0.000 1.046 282 I HN 0.233 nan 8.210 nan 0.000 0.405 283 L N 1.141 122.035 121.223 -0.548 0.000 1.978 283 L HA -0.294 4.045 4.340 -0.001 0.000 0.218 283 L C 2.622 179.335 176.870 -0.262 0.000 1.075 283 L CA 2.723 57.265 54.840 -0.497 0.000 0.767 283 L CB -0.626 41.012 42.059 -0.702 0.000 0.890 283 L HN 0.424 nan 8.230 nan 0.000 0.434 284 E N 0.046 120.112 120.200 -0.224 0.000 2.265 284 E HA -0.178 4.171 4.350 -0.001 0.000 0.196 284 E C 1.689 178.217 176.600 -0.120 0.000 0.996 284 E CA 1.535 57.854 56.400 -0.135 0.000 0.832 284 E CB -0.160 29.482 29.700 -0.098 0.000 0.756 284 E HN 0.499 nan 8.360 nan 0.000 0.491 285 A N 0.421 123.151 122.820 -0.151 0.000 1.984 285 A HA 0.182 4.501 4.320 -0.001 0.000 0.214 285 A C 1.450 178.926 177.584 -0.180 0.000 1.173 285 A CA 0.428 52.350 52.037 -0.193 0.000 0.673 285 A CB -0.094 18.748 19.000 -0.263 0.000 0.830 285 A HN 0.246 nan 8.150 nan 0.000 0.453 286 S N 0.530 116.137 115.700 -0.155 0.000 2.617 286 S HA 0.187 4.656 4.470 -0.001 0.000 0.259 286 S C 0.139 174.682 174.600 -0.094 0.000 1.301 286 S CA -0.181 57.946 58.200 -0.122 0.000 0.984 286 S CB 0.481 63.611 63.200 -0.117 0.000 0.954 286 S HN 0.426 nan 8.310 nan 0.000 0.572 287 D N 0.065 120.420 120.400 -0.074 0.000 2.366 287 D HA 0.279 4.919 4.640 -0.001 0.000 0.205 287 D C 0.780 177.030 176.300 -0.083 0.000 1.022 287 D CA 0.497 54.463 54.000 -0.057 0.000 0.868 287 D CB 0.514 41.293 40.800 -0.035 0.000 0.953 287 D HN 0.626 nan 8.370 nan 0.000 0.514 288 G N -0.095 108.646 108.800 -0.099 0.000 2.495 288 G HA2 0.464 4.423 3.960 -0.001 0.000 0.294 288 G HA3 0.464 4.423 3.960 -0.001 0.000 0.294 288 G C -1.835 173.000 174.900 -0.109 0.000 1.397 288 G CA -0.470 44.554 45.100 -0.127 0.000 0.790 288 G HN -0.092 nan 8.290 nan 0.000 0.486 289 I N -0.034 120.471 120.570 -0.108 0.000 3.074 289 I HA 0.707 4.876 4.170 -0.001 0.000 0.310 289 I C -0.456 175.573 176.117 -0.147 0.000 1.153 289 I CA -1.288 59.970 61.300 -0.070 0.000 0.993 289 I CB 2.151 40.204 38.000 0.088 0.000 1.237 289 I HN 0.686 nan 8.210 nan 0.000 0.443 290 M N 3.591 123.103 119.600 -0.147 0.000 2.267 290 M HA 0.464 4.943 4.480 -0.001 0.000 0.289 290 M C -1.657 174.560 176.300 -0.138 0.000 1.043 290 M CA -0.678 54.500 55.300 -0.203 0.000 0.928 290 M CB 1.673 34.073 32.600 -0.333 0.000 1.613 290 M HN 0.198 nan 8.290 nan 0.000 0.450 291 V N 4.712 124.548 119.914 -0.129 0.000 2.352 291 V HA 0.334 4.453 4.120 -0.001 0.000 0.253 291 V C 0.479 176.507 176.094 -0.110 0.000 1.083 291 V CA -0.308 61.923 62.300 -0.115 0.000 0.993 291 V CB 0.189 31.945 31.823 -0.111 0.000 1.111 291 V HN 0.835 nan 8.190 nan 0.000 0.490 292 A N 5.630 128.380 122.820 -0.118 0.000 2.650 292 A HA 0.432 4.751 4.320 -0.001 0.000 0.320 292 A C 1.252 178.781 177.584 -0.092 0.000 1.466 292 A CA -0.528 51.439 52.037 -0.117 0.000 1.099 292 A CB -0.117 18.784 19.000 -0.166 0.000 1.136 292 A HN 0.875 nan 8.150 nan 0.000 0.532 293 R N 1.728 122.191 120.500 -0.063 0.000 2.189 293 R HA -0.038 4.302 4.340 -0.001 0.000 0.218 293 R C 2.161 178.445 176.300 -0.026 0.000 1.074 293 R CA 1.261 57.336 56.100 -0.042 0.000 0.991 293 R CB -0.031 30.253 30.300 -0.028 0.000 0.883 293 R HN 0.671 nan 8.270 nan 0.000 0.457 294 G N 1.266 110.053 108.800 -0.021 0.000 2.484 294 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.215 294 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.215 294 G C 1.007 175.913 174.900 0.010 0.000 1.219 294 G CA 1.019 46.121 45.100 0.002 0.000 0.791 294 G HN 0.172 nan 8.290 nan 0.000 0.550 295 D N 0.063 120.467 120.400 0.007 0.000 2.078 295 D HA -0.100 4.539 4.640 -0.001 0.000 0.193 295 D C 2.518 178.849 176.300 0.051 0.000 0.990 295 D CA 0.790 54.826 54.000 0.060 0.000 0.827 295 D CB -0.372 40.456 40.800 0.048 0.000 0.975 295 D HN 0.090 nan 8.370 nan 0.000 0.451 296 L N 1.272 122.501 121.223 0.009 0.000 2.103 296 L HA -0.148 4.191 4.340 -0.001 0.000 0.215 296 L C 2.208 179.075 176.870 -0.005 0.000 1.080 296 L CA 2.129 56.973 54.840 0.006 0.000 0.764 296 L CB -1.181 40.859 42.059 -0.032 0.000 0.890 296 L HN 0.078 nan 8.230 nan 0.000 0.435 297 G N -1.623 107.168 108.800 -0.016 0.000 2.598 297 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.215 297 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.215 297 G C 1.491 176.356 174.900 -0.058 0.000 1.131 297 G CA 0.825 45.908 45.100 -0.028 0.000 0.785 297 G HN 0.463 nan 8.290 nan 0.000 0.539 298 I N -0.787 119.745 120.570 -0.064 0.000 3.039 298 I HA 0.228 4.397 4.170 -0.001 0.000 0.270 298 I C 2.143 178.179 176.117 -0.134 0.000 1.150 298 I CA 0.417 61.622 61.300 -0.158 0.000 1.448 298 I CB 0.096 37.986 38.000 -0.184 0.000 1.197 298 I HN -0.086 nan 8.210 nan 0.000 0.450 299 E N 1.857 122.037 120.200 -0.033 0.000 2.147 299 E HA -0.151 4.199 4.350 -0.001 0.000 0.199 299 E C 1.029 177.629 176.600 -0.001 0.000 1.005 299 E CA 1.697 58.103 56.400 0.011 0.000 0.810 299 E CB -0.414 29.339 29.700 0.088 0.000 0.736 299 E HN 0.656 nan 8.360 nan 0.000 0.460 300 I N -3.183 117.382 120.570 -0.008 0.000 3.206 300 I HA 0.466 4.635 4.170 -0.001 0.000 0.313 300 I C -2.656 173.441 176.117 -0.034 0.000 1.103 300 I CA -2.970 58.326 61.300 -0.008 0.000 0.985 300 I CB 2.105 40.123 38.000 0.031 0.000 1.240 300 I HN -0.362 nan 8.210 nan 0.000 0.464 301 P HA 0.146 nan 4.420 nan 0.000 0.271 301 P C 0.353 177.642 177.300 -0.019 0.000 1.220 301 P CA 0.025 63.109 63.100 -0.027 0.000 0.768 301 P CB 1.252 32.941 31.700 -0.018 0.000 0.848 302 A N 5.051 127.862 122.820 -0.015 0.000 1.884 302 A HA -0.247 4.072 4.320 -0.001 0.000 0.219 302 A C 1.719 179.331 177.584 0.047 0.000 1.197 302 A CA 1.831 53.872 52.037 0.006 0.000 0.637 302 A CB -1.188 17.815 19.000 0.005 0.000 0.827 302 A HN 0.683 nan 8.150 nan 0.000 0.450 303 E N -0.020 120.216 120.200 0.061 0.000 2.501 303 E HA -0.186 4.164 4.350 -0.001 0.000 0.203 303 E C 1.091 177.767 176.600 0.126 0.000 1.072 303 E CA 1.381 57.856 56.400 0.125 0.000 0.885 303 E CB -0.223 29.532 29.700 0.092 0.000 0.813 303 E HN 0.703 nan 8.360 nan 0.000 0.556 304 K N 0.219 120.617 120.400 -0.004 0.000 2.380 304 K HA 0.135 4.454 4.320 -0.001 0.000 0.198 304 K C 1.855 178.299 176.600 -0.259 0.000 1.070 304 K CA 0.154 56.337 56.287 -0.174 0.000 1.040 304 K CB 0.757 33.183 32.500 -0.123 0.000 0.903 304 K HN -0.083 nan 8.250 nan 0.000 0.549 305 V N 2.106 121.963 119.914 -0.094 0.000 2.380 305 V HA -0.293 3.826 4.120 -0.001 0.000 0.251 305 V C 2.097 178.118 176.094 -0.122 0.000 1.063 305 V CA 2.088 64.340 62.300 -0.081 0.000 1.055 305 V CB -0.705 31.115 31.823 -0.005 0.000 0.657 305 V HN 0.368 nan 8.190 nan 0.000 0.455 306 F N -0.066 119.857 119.950 -0.046 0.000 2.293 306 F HA -0.056 4.470 4.527 -0.001 0.000 0.300 306 F C 1.856 177.618 175.800 -0.063 0.000 1.086 306 F CA 1.292 59.262 58.000 -0.051 0.000 1.375 306 F CB -0.950 38.026 39.000 -0.040 0.000 1.045 306 F HN 0.084 nan 8.300 nan 0.000 0.516 307 L N 0.897 121.471 121.223 -1.082 0.000 2.005 307 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 307 L C 3.046 179.700 176.870 -0.361 0.000 1.072 307 L CA 1.164 55.579 54.840 -0.707 0.000 0.744 307 L CB -1.354 40.282 42.059 -0.704 0.000 0.895 307 L HN 0.307 nan 8.230 nan 0.000 0.433 308 A N -0.319 122.306 122.820 -0.326 0.000 1.865 308 A HA -0.318 4.002 4.320 -0.001 0.000 0.217 308 A C 2.277 179.714 177.584 -0.244 0.000 1.191 308 A CA 2.110 53.991 52.037 -0.259 0.000 0.623 308 A CB -0.762 18.112 19.000 -0.210 0.000 0.826 308 A HN 0.496 nan 8.150 nan 0.000 0.444 309 Q N -0.390 119.304 119.800 -0.176 0.000 2.045 309 Q HA -0.277 4.062 4.340 -0.001 0.000 0.206 309 Q C 2.080 178.007 176.000 -0.122 0.000 0.991 309 Q CA 2.334 58.061 55.803 -0.125 0.000 0.851 309 Q CB -0.145 28.568 28.738 -0.043 0.000 0.911 309 Q HN 0.690 nan 8.270 nan 0.000 0.418 310 K N -0.094 120.256 120.400 -0.084 0.000 2.025 310 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 310 K C 2.157 178.692 176.600 -0.109 0.000 1.049 310 K CA 1.509 57.761 56.287 -0.057 0.000 0.933 310 K CB -0.248 32.259 32.500 0.012 0.000 0.714 310 K HN 0.307 nan 8.250 nan 0.000 0.438 311 M N 1.076 120.581 119.600 -0.159 0.000 2.065 311 M HA -0.220 4.259 4.480 -0.001 0.000 0.259 311 M C 1.998 178.131 176.300 -0.278 0.000 1.069 311 M CA 1.853 57.036 55.300 -0.196 0.000 1.110 311 M CB -0.285 32.178 32.600 -0.229 0.000 1.328 311 M HN 0.171 nan 8.290 nan 0.000 0.405 312 I N 0.303 120.630 120.570 -0.405 0.000 2.163 312 I HA -0.350 3.820 4.170 -0.001 0.000 0.243 312 I C 2.377 178.337 176.117 -0.261 0.000 1.085 312 I CA 1.383 62.333 61.300 -0.583 0.000 1.347 312 I CB -0.443 37.195 38.000 -0.603 0.000 1.044 312 I HN 0.319 nan 8.210 nan 0.000 0.408 313 I N 0.716 121.189 120.570 -0.161 0.000 2.163 313 I HA -0.242 3.927 4.170 -0.001 0.000 0.243 313 I C 2.699 178.786 176.117 -0.050 0.000 1.085 313 I CA 1.750 63.001 61.300 -0.080 0.000 1.347 313 I CB -0.913 37.054 38.000 -0.056 0.000 1.044 313 I HN 0.256 nan 8.210 nan 0.000 0.408 314 G N 0.798 109.563 108.800 -0.059 0.000 2.491 314 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.218 314 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.218 314 G C 1.773 176.668 174.900 -0.009 0.000 1.180 314 G CA 0.732 45.812 45.100 -0.033 0.000 0.774 314 G HN 0.318 nan 8.290 nan 0.000 0.562 315 R N -0.661 119.844 120.500 0.009 0.000 2.148 315 R HA -0.004 4.335 4.340 -0.001 0.000 0.227 315 R C 2.572 178.938 176.300 0.110 0.000 1.103 315 R CA 0.958 57.114 56.100 0.094 0.000 0.983 315 R CB -0.575 29.857 30.300 0.219 0.000 0.874 315 R HN 0.398 nan 8.270 nan 0.000 0.451 316 C N 0.556 119.912 119.300 0.094 0.000 2.466 316 C HA 0.006 4.465 4.460 -0.001 0.000 0.278 316 C C 2.235 177.236 174.990 0.018 0.000 1.288 316 C CA 0.500 59.560 59.018 0.071 0.000 1.722 316 C CB -1.015 26.759 27.740 0.057 0.000 2.017 316 C HN 0.560 nan 8.230 nan 0.000 0.488 317 N N 0.205 118.906 118.700 0.001 0.000 2.142 317 N HA -0.138 4.601 4.740 -0.001 0.000 0.186 317 N C 2.120 177.604 175.510 -0.044 0.000 1.023 317 N CA 0.607 53.643 53.050 -0.024 0.000 0.852 317 N CB -0.267 38.206 38.487 -0.022 0.000 0.998 317 N HN 0.462 nan 8.380 nan 0.000 0.424 318 R N 1.442 121.930 120.500 -0.020 0.000 2.091 318 R HA -0.095 4.244 4.340 -0.001 0.000 0.238 318 R C 1.824 178.111 176.300 -0.021 0.000 1.136 318 R CA 1.573 57.661 56.100 -0.019 0.000 0.959 318 R CB -0.207 30.096 30.300 0.005 0.000 0.856 318 R HN 0.167 nan 8.270 nan 0.000 0.437 319 A N -0.474 122.343 122.820 -0.004 0.000 2.123 319 A HA 0.156 4.475 4.320 -0.001 0.000 0.214 319 A C 1.293 178.865 177.584 -0.020 0.000 1.152 319 A CA 0.959 52.992 52.037 -0.006 0.000 0.728 319 A CB -0.152 18.850 19.000 0.004 0.000 0.814 319 A HN 0.584 nan 8.150 nan 0.000 0.464 320 G N -0.481 108.299 108.800 -0.034 0.000 2.225 320 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.264 320 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.264 320 G C -0.110 174.805 174.900 0.026 0.000 1.060 320 G CA 0.569 45.646 45.100 -0.037 0.000 0.833 320 G HN 0.609 nan 8.290 nan 0.000 0.498 321 K N 0.421 120.833 120.400 0.021 0.000 2.316 321 K HA 0.534 4.853 4.320 -0.001 0.000 0.251 321 K C -2.623 173.961 176.600 -0.028 0.000 0.934 321 K CA -2.338 53.961 56.287 0.020 0.000 0.802 321 K CB 2.639 35.130 32.500 -0.015 0.000 1.171 321 K HN -0.037 nan 8.250 nan 0.000 0.426 322 P HA -0.060 nan 4.420 nan 0.000 0.265 322 P C -0.881 176.324 177.300 -0.157 0.000 1.187 322 P CA -0.242 62.724 63.100 -0.223 0.000 0.766 322 P CB 0.636 32.017 31.700 -0.532 0.000 0.820 323 V N 4.792 124.630 119.914 -0.127 0.000 2.760 323 V HA 0.517 4.637 4.120 -0.001 0.000 0.309 323 V C -0.848 175.169 176.094 -0.128 0.000 1.077 323 V CA -1.004 61.231 62.300 -0.109 0.000 0.910 323 V CB 1.628 33.416 31.823 -0.059 0.000 1.008 323 V HN 0.296 nan 8.190 nan 0.000 0.424 324 I N 6.290 126.764 120.570 -0.161 0.000 2.378 324 I HA 0.434 4.603 4.170 -0.001 0.000 0.291 324 I C -0.179 175.862 176.117 -0.127 0.000 0.992 324 I CA -0.413 60.790 61.300 -0.162 0.000 1.154 324 I CB 1.568 39.412 38.000 -0.260 0.000 1.315 324 I HN 0.680 nan 8.210 nan 0.000 0.448 325 C N 6.832 126.079 119.300 -0.088 0.000 2.285 325 C HA 0.855 5.315 4.460 -0.001 0.000 0.335 325 C C 0.449 175.403 174.990 -0.060 0.000 1.267 325 C CA -0.123 58.852 59.018 -0.070 0.000 1.762 325 C CB -0.621 27.091 27.740 -0.046 0.000 2.365 325 C HN 0.872 nan 8.230 nan 0.000 0.527 326 A N 4.785 127.567 122.820 -0.063 0.000 2.423 326 A HA 0.936 5.255 4.320 -0.001 0.000 0.304 326 A C -0.010 177.558 177.584 -0.027 0.000 1.104 326 A CA -0.133 51.878 52.037 -0.044 0.000 0.757 326 A CB 0.929 19.891 19.000 -0.063 0.000 1.313 326 A HN 1.487 nan 8.150 nan 0.000 0.423 327 T N 1.397 115.947 114.554 -0.008 0.000 0.550 327 T HA -0.098 4.251 4.350 -0.001 0.000 0.773 327 T C 0.130 174.833 174.700 0.005 0.000 0.992 327 T CA 0.795 62.896 62.100 0.002 0.000 4.071 327 T CB -1.094 67.772 68.868 -0.004 0.000 2.300 327 T HN 1.682 nan 8.240 nan 0.000 0.397 328 Q N -0.092 119.715 119.800 0.013 0.000 2.452 328 Q HA -0.293 4.046 4.340 -0.001 0.000 0.248 328 Q C 1.472 177.480 176.000 0.013 0.000 0.874 328 Q CA 1.694 57.506 55.803 0.015 0.000 1.208 328 Q CB -1.531 27.216 28.738 0.016 0.000 1.569 328 Q HN 0.850 nan 8.270 nan 0.000 0.579 329 M N -0.595 119.012 119.600 0.012 0.000 2.117 329 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 329 M C 1.027 177.334 176.300 0.012 0.000 1.065 329 M CA 1.324 56.630 55.300 0.010 0.000 1.114 329 M CB -0.017 32.589 32.600 0.009 0.000 1.361 329 M HN 0.161 nan 8.290 nan 0.000 0.408 330 L N -0.312 120.921 121.223 0.016 0.000 3.288 330 L HA 0.198 4.537 4.340 -0.001 0.000 0.293 330 L C 1.266 178.149 176.870 0.022 0.000 1.294 330 L CA 0.272 55.123 54.840 0.018 0.000 1.006 330 L CB -0.127 41.945 42.059 0.022 0.000 1.407 330 L HN 0.046 nan 8.230 nan 0.000 0.592 331 E N 0.727 120.939 120.200 0.021 0.000 2.149 331 E HA -0.329 4.020 4.350 -0.001 0.000 0.215 331 E C 2.239 178.855 176.600 0.027 0.000 1.055 331 E CA 2.287 58.702 56.400 0.023 0.000 0.870 331 E CB 0.048 29.761 29.700 0.022 0.000 0.764 331 E HN 0.533 nan 8.360 nan 0.000 0.463 332 S N -0.535 115.178 115.700 0.022 0.000 2.402 332 S HA -0.237 4.233 4.470 -0.001 0.000 0.233 332 S C 2.016 176.638 174.600 0.036 0.000 1.030 332 S CA 1.704 59.917 58.200 0.021 0.000 1.003 332 S CB -0.445 62.761 63.200 0.009 0.000 0.813 332 S HN 0.366 nan 8.310 nan 0.000 0.477 333 M N 0.298 119.922 119.600 0.040 0.000 2.686 333 M HA 0.208 4.687 4.480 -0.001 0.000 0.246 333 M C 1.458 177.837 176.300 0.133 0.000 1.096 333 M CA 0.488 55.830 55.300 0.070 0.000 1.076 333 M CB -0.443 32.183 32.600 0.044 0.000 1.504 333 M HN 0.361 nan 8.290 nan 0.000 0.524 334 I N 0.045 120.667 120.570 0.087 0.000 2.315 334 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 334 I C 2.189 178.363 176.117 0.094 0.000 1.117 334 I CA 1.235 62.577 61.300 0.071 0.000 1.404 334 I CB -0.035 37.981 38.000 0.028 0.000 1.071 334 I HN 0.177 nan 8.210 nan 0.000 0.419 335 K N 0.042 120.511 120.400 0.114 0.000 2.370 335 K HA 0.217 4.536 4.320 -0.001 0.000 0.194 335 K C 0.313 177.106 176.600 0.321 0.000 1.070 335 K CA 0.303 56.676 56.287 0.143 0.000 0.998 335 K CB 0.563 33.096 32.500 0.055 0.000 0.911 335 K HN 0.200 nan 8.250 nan 0.000 0.533 336 K N 1.232 121.762 120.400 0.215 0.000 2.203 336 K HA 0.206 4.525 4.320 -0.001 0.000 0.251 336 K C -2.053 174.322 176.600 -0.375 0.000 0.944 336 K CA -2.041 54.247 56.287 0.002 0.000 0.829 336 K CB 1.995 34.477 32.500 -0.030 0.000 1.125 336 K HN -0.289 nan 8.250 nan 0.000 0.430 337 P HA -0.083 nan 4.420 nan 0.000 0.221 337 P C -0.461 176.615 177.300 -0.374 0.000 1.150 337 P CA 1.032 63.557 63.100 -0.958 0.000 0.800 337 P CB 0.462 31.692 31.700 -0.783 0.000 0.787 338 R N -0.363 119.997 120.500 -0.233 0.000 2.686 338 R HA 0.495 4.834 4.340 -0.001 0.000 0.283 338 R C -2.550 173.702 176.300 -0.080 0.000 0.978 338 R CA -2.104 53.922 56.100 -0.123 0.000 0.897 338 R CB 1.637 31.880 30.300 -0.096 0.000 1.192 338 R HN -0.017 nan 8.270 nan 0.000 0.457 339 P HA 0.130 nan 4.420 nan 0.000 0.293 339 P C -0.345 176.942 177.300 -0.022 0.000 1.304 339 P CA -0.494 62.590 63.100 -0.027 0.000 0.767 339 P CB 0.406 32.097 31.700 -0.014 0.000 1.247 340 T N -2.235 112.311 114.554 -0.013 0.000 2.847 340 T HA 0.261 4.610 4.350 -0.001 0.000 0.279 340 T C 1.397 176.090 174.700 -0.011 0.000 0.984 340 T CA -0.646 61.447 62.100 -0.011 0.000 0.988 340 T CB 0.537 69.402 68.868 -0.005 0.000 1.040 340 T HN 0.121 nan 8.240 nan 0.000 0.528 341 R N 0.839 121.333 120.500 -0.011 0.000 2.075 341 R HA 0.031 4.371 4.340 -0.001 0.000 0.232 341 R C 2.689 178.983 176.300 -0.011 0.000 1.126 341 R CA 1.541 57.634 56.100 -0.012 0.000 0.963 341 R CB -1.855 28.437 30.300 -0.013 0.000 0.858 341 R HN 0.843 nan 8.270 nan 0.000 0.435 342 A N 1.645 124.459 122.820 -0.010 0.000 1.972 342 A HA -0.176 4.143 4.320 -0.001 0.000 0.219 342 A C 1.998 179.578 177.584 -0.007 0.000 1.169 342 A CA 1.461 53.491 52.037 -0.011 0.000 0.635 342 A CB -0.302 18.692 19.000 -0.011 0.000 0.810 342 A HN 0.429 nan 8.150 nan 0.000 0.446 343 E N -0.571 119.627 120.200 -0.004 0.000 2.107 343 E HA -0.055 4.294 4.350 -0.001 0.000 0.191 343 E C 2.136 178.735 176.600 -0.002 0.000 0.982 343 E CA 0.629 57.029 56.400 -0.001 0.000 0.809 343 E CB -0.355 29.346 29.700 0.002 0.000 0.756 343 E HN 0.590 nan 8.360 nan 0.000 0.459 344 G N 1.114 109.911 108.800 -0.005 0.000 2.421 344 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.216 344 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.216 344 G C 1.657 176.554 174.900 -0.005 0.000 1.171 344 G CA 1.035 46.132 45.100 -0.005 0.000 0.775 344 G HN 0.326 nan 8.290 nan 0.000 0.543 345 S N 0.571 116.267 115.700 -0.008 0.000 2.359 345 S HA -0.210 4.259 4.470 -0.001 0.000 0.224 345 S C 2.052 176.648 174.600 -0.005 0.000 1.035 345 S CA 2.192 60.387 58.200 -0.009 0.000 1.018 345 S CB -0.573 62.617 63.200 -0.016 0.000 0.876 345 S HN 0.428 nan 8.310 nan 0.000 0.448 346 D N 0.177 120.574 120.400 -0.005 0.000 2.103 346 D HA -0.123 4.517 4.640 -0.001 0.000 0.190 346 D C 1.936 178.238 176.300 0.003 0.000 0.997 346 D CA 1.962 55.962 54.000 -0.000 0.000 0.833 346 D CB -0.397 40.404 40.800 0.002 0.000 0.961 346 D HN 0.314 nan 8.370 nan 0.000 0.447 347 V N 0.789 120.705 119.914 0.004 0.000 2.332 347 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 347 V C 2.568 178.666 176.094 0.007 0.000 1.055 347 V CA 1.893 64.197 62.300 0.006 0.000 1.038 347 V CB -1.129 30.698 31.823 0.007 0.000 0.651 347 V HN 0.383 nan 8.190 nan 0.000 0.450 348 A N 0.475 123.298 122.820 0.006 0.000 1.865 348 A HA -0.326 3.993 4.320 -0.001 0.000 0.217 348 A C 2.061 179.655 177.584 0.017 0.000 1.191 348 A CA 2.586 54.629 52.037 0.010 0.000 0.623 348 A CB -1.016 17.988 19.000 0.006 0.000 0.826 348 A HN 0.657 nan 8.150 nan 0.000 0.444 349 N N -0.205 118.504 118.700 0.015 0.000 2.223 349 N HA -0.053 4.686 4.740 -0.001 0.000 0.185 349 N C 1.787 177.311 175.510 0.022 0.000 1.016 349 N CA 1.113 54.176 53.050 0.022 0.000 0.863 349 N CB -0.231 38.262 38.487 0.011 0.000 0.983 349 N HN 0.521 nan 8.380 nan 0.000 0.429 350 A N 0.159 122.987 122.820 0.014 0.000 1.969 350 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 350 A C 2.238 179.829 177.584 0.011 0.000 1.169 350 A CA 0.974 53.017 52.037 0.009 0.000 0.635 350 A CB -0.394 18.607 19.000 0.001 0.000 0.810 350 A HN 0.116 nan 8.150 nan 0.000 0.445 351 V N -0.219 119.705 119.914 0.017 0.000 2.488 351 V HA -0.152 3.968 4.120 -0.001 0.000 0.246 351 V C 2.464 178.576 176.094 0.028 0.000 1.046 351 V CA 1.548 63.861 62.300 0.021 0.000 1.053 351 V CB -0.566 31.271 31.823 0.024 0.000 0.679 351 V HN 0.549 nan 8.190 nan 0.000 0.458 352 L N -0.284 120.960 121.223 0.036 0.000 2.109 352 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 352 L C 2.381 179.283 176.870 0.054 0.000 1.086 352 L CA 1.332 56.204 54.840 0.053 0.000 0.760 352 L CB -0.726 41.378 42.059 0.076 0.000 0.910 352 L HN 0.337 nan 8.230 nan 0.000 0.437 353 D N 0.264 120.688 120.400 0.040 0.000 2.149 353 D HA -0.154 4.485 4.640 -0.001 0.000 0.198 353 D C 1.601 177.911 176.300 0.017 0.000 0.990 353 D CA 1.785 55.801 54.000 0.028 0.000 0.839 353 D CB -0.038 40.770 40.800 0.014 0.000 0.948 353 D HN 0.478 nan 8.370 nan 0.000 0.460 354 G N -0.499 108.309 108.800 0.013 0.000 2.276 354 G HA2 0.055 4.014 3.960 -0.001 0.000 0.177 354 G HA3 0.055 4.014 3.960 -0.001 0.000 0.177 354 G C 0.211 175.111 174.900 0.000 0.000 1.017 354 G CA 0.079 45.184 45.100 0.008 0.000 0.750 354 G HN 0.539 nan 8.290 nan 0.000 0.506 355 A N 0.279 123.096 122.820 -0.005 0.000 2.477 355 A HA 0.532 4.851 4.320 -0.001 0.000 0.246 355 A C 1.046 178.624 177.584 -0.011 0.000 1.078 355 A CA 1.091 53.117 52.037 -0.019 0.000 0.770 355 A CB 0.229 19.214 19.000 -0.025 0.000 1.011 355 A HN 0.250 nan 8.150 nan 0.000 0.494 356 D N 0.183 120.566 120.400 -0.029 0.000 2.183 356 D HA 0.070 4.709 4.640 -0.001 0.000 0.203 356 D C 0.093 176.378 176.300 -0.025 0.000 0.969 356 D CA 1.337 55.324 54.000 -0.021 0.000 0.842 356 D CB 0.019 40.785 40.800 -0.056 0.000 0.957 356 D HN 0.538 nan 8.370 nan 0.000 0.484 357 C N -0.166 119.107 119.300 -0.045 0.000 3.171 357 C HA 0.677 5.136 4.460 -0.001 0.000 0.308 357 C C -0.624 174.346 174.990 -0.035 0.000 1.334 357 C CA -1.306 57.692 59.018 -0.033 0.000 1.473 357 C CB 1.313 29.026 27.740 -0.045 0.000 1.866 357 C HN 0.184 nan 8.230 nan 0.000 0.465 358 I N -0.324 120.236 120.570 -0.016 0.000 2.892 358 I HA 0.801 4.971 4.170 -0.001 0.000 0.306 358 I C -0.722 175.394 176.117 -0.002 0.000 1.078 358 I CA -0.801 60.491 61.300 -0.013 0.000 1.032 358 I CB 1.614 39.614 38.000 -0.000 0.000 1.229 358 I HN 0.630 nan 8.210 nan 0.000 0.435 359 M N 3.768 123.368 119.600 -0.001 0.000 2.716 359 M HA 0.688 5.167 4.480 -0.001 0.000 0.307 359 M C -1.841 174.474 176.300 0.025 0.000 1.223 359 M CA -0.788 54.523 55.300 0.019 0.000 0.871 359 M CB 2.651 35.263 32.600 0.019 0.000 1.739 359 M HN 0.576 nan 8.290 nan 0.000 0.475 360 L N 0.857 122.102 121.223 0.037 0.000 2.410 360 L HA 0.531 4.871 4.340 -0.001 0.000 0.270 360 L C -0.491 176.403 176.870 0.040 0.000 0.983 360 L CA -0.253 54.608 54.840 0.035 0.000 0.822 360 L CB 2.207 44.287 42.059 0.033 0.000 1.285 360 L HN 0.729 nan 8.230 nan 0.000 0.409 361 S N 0.791 116.510 115.700 0.032 0.000 3.541 361 S HA 0.227 4.697 4.470 -0.001 0.000 0.180 361 S C 1.559 176.168 174.600 0.014 0.000 0.887 361 S CA 0.347 58.563 58.200 0.028 0.000 1.264 361 S CB -0.118 63.099 63.200 0.029 0.000 0.873 361 S HN 0.871 nan 8.310 nan 0.000 0.809 362 G N 1.195 109.999 108.800 0.006 0.000 2.517 362 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.222 362 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.222 362 G C 0.973 175.879 174.900 0.010 0.000 1.109 362 G CA 1.499 46.598 45.100 -0.001 0.000 0.746 362 G HN 0.579 nan 8.290 nan 0.000 0.576 363 E N -0.197 120.016 120.200 0.022 0.000 2.077 363 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 363 E C 2.771 179.392 176.600 0.034 0.000 0.989 363 E CA 1.801 58.222 56.400 0.034 0.000 0.800 363 E CB -0.171 29.552 29.700 0.039 0.000 0.746 363 E HN 0.614 nan 8.360 nan 0.000 0.452 364 T N -3.057 111.514 114.554 0.028 0.000 2.990 364 T HA 0.387 4.736 4.350 -0.001 0.000 0.250 364 T C 1.743 176.455 174.700 0.021 0.000 1.041 364 T CA 0.226 62.343 62.100 0.027 0.000 1.010 364 T CB 0.474 69.360 68.868 0.029 0.000 1.003 364 T HN 0.126 nan 8.240 nan 0.000 0.499 365 A N 2.160 124.988 122.820 0.014 0.000 2.132 365 A HA 0.364 4.684 4.320 -0.001 0.000 0.213 365 A C 1.694 179.279 177.584 0.002 0.000 1.154 365 A CA 0.911 52.956 52.037 0.012 0.000 0.753 365 A CB -0.141 18.858 19.000 -0.001 0.000 0.826 365 A HN 0.660 nan 8.150 nan 0.000 0.469 366 K N -2.371 118.025 120.400 -0.007 0.000 2.598 366 K HA 0.237 4.556 4.320 -0.001 0.000 0.185 366 K C 0.467 177.053 176.600 -0.024 0.000 1.458 366 K CA 0.377 56.655 56.287 -0.015 0.000 1.079 366 K CB -0.865 31.621 32.500 -0.023 0.000 1.253 366 K HN 0.198 nan 8.250 nan 0.000 0.592 367 G N 0.308 109.099 108.800 -0.016 0.000 2.562 367 G HA2 0.222 4.181 3.960 -0.001 0.000 0.275 367 G HA3 0.222 4.181 3.960 -0.001 0.000 0.275 367 G C -0.247 174.611 174.900 -0.070 0.000 1.196 367 G CA -0.378 44.710 45.100 -0.021 0.000 0.908 367 G HN 0.140 nan 8.290 nan 0.000 0.524 368 D N -0.973 119.342 120.400 -0.141 0.000 2.347 368 D HA -0.009 4.630 4.640 -0.001 0.000 0.213 368 D C -0.068 175.918 176.300 -0.524 0.000 0.985 368 D CA 1.001 54.789 54.000 -0.354 0.000 0.879 368 D CB 0.330 40.833 40.800 -0.495 0.000 0.919 368 D HN 0.366 nan 8.370 nan 0.000 0.526 369 Y N 0.006 120.305 120.300 -0.003 0.000 2.617 369 Y HA 0.214 4.763 4.550 -0.001 0.000 0.328 369 Y C -1.564 174.339 175.900 0.004 0.000 0.946 369 Y CA -2.036 56.065 58.100 0.001 0.000 1.241 369 Y CB 0.950 39.410 38.460 0.001 0.000 1.226 369 Y HN -0.080 nan 8.280 nan 0.000 0.582 370 P HA -0.196 nan 4.420 nan 0.000 0.215 370 P C 1.673 179.017 177.300 0.073 0.000 1.157 370 P CA 1.511 64.652 63.100 0.068 0.000 0.868 370 P CB 0.572 32.291 31.700 0.032 0.000 0.788 371 L N -0.454 120.813 121.223 0.074 0.000 1.989 371 L HA -0.211 4.128 4.340 -0.001 0.000 0.211 371 L C 2.621 179.531 176.870 0.066 0.000 1.071 371 L CA 1.892 56.769 54.840 0.061 0.000 0.749 371 L CB -1.229 40.864 42.059 0.058 0.000 0.890 371 L HN -0.050 nan 8.230 nan 0.000 0.431 372 E N 0.057 120.312 120.200 0.093 0.000 2.160 372 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 372 E C 2.161 178.794 176.600 0.056 0.000 0.991 372 E CA 1.360 57.801 56.400 0.069 0.000 0.810 372 E CB -0.259 29.484 29.700 0.070 0.000 0.742 372 E HN 0.490 nan 8.360 nan 0.000 0.466 373 A N 0.191 123.053 122.820 0.071 0.000 1.873 373 A HA -0.147 4.172 4.320 -0.001 0.000 0.215 373 A C 2.452 180.066 177.584 0.050 0.000 1.186 373 A CA 1.353 53.424 52.037 0.057 0.000 0.616 373 A CB -0.677 18.361 19.000 0.064 0.000 0.823 373 A HN 0.153 nan 8.150 nan 0.000 0.442 374 V N -0.178 119.764 119.914 0.047 0.000 2.295 374 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 374 V C 2.607 178.737 176.094 0.060 0.000 1.049 374 V CA 2.353 64.679 62.300 0.042 0.000 1.024 374 V CB -0.842 30.995 31.823 0.023 0.000 0.648 374 V HN 0.542 nan 8.190 nan 0.000 0.447 375 R N -1.035 119.495 120.500 0.051 0.000 2.112 375 R HA -0.271 4.068 4.340 -0.001 0.000 0.242 375 R C 2.323 178.688 176.300 0.107 0.000 1.137 375 R CA 2.379 58.518 56.100 0.066 0.000 0.944 375 R CB -0.510 29.818 30.300 0.046 0.000 0.857 375 R HN 0.356 nan 8.270 nan 0.000 0.435 376 M N 1.037 120.679 119.600 0.069 0.000 2.080 376 M HA -0.214 4.265 4.480 -0.001 0.000 0.260 376 M C 1.847 178.183 176.300 0.061 0.000 1.068 376 M CA 1.777 57.109 55.300 0.054 0.000 1.109 376 M CB -0.446 32.171 32.600 0.029 0.000 1.342 376 M HN 0.151 nan 8.290 nan 0.000 0.405 377 Q N -1.775 118.066 119.800 0.068 0.000 2.135 377 Q HA -0.253 4.086 4.340 -0.001 0.000 0.204 377 Q C 2.113 178.162 176.000 0.082 0.000 0.981 377 Q CA 1.935 57.775 55.803 0.062 0.000 0.856 377 Q CB -0.492 28.279 28.738 0.055 0.000 0.902 377 Q HN 0.713 nan 8.270 nan 0.000 0.425 378 H N 0.791 119.874 119.070 0.020 0.000 2.319 378 H HA -0.106 4.449 4.556 -0.001 0.000 0.299 378 H C 1.865 177.212 175.328 0.032 0.000 1.092 378 H CA 1.667 57.733 56.048 0.029 0.000 1.302 378 H CB -0.192 29.588 29.762 0.030 0.000 1.373 378 H HN 0.104 nan 8.280 nan 0.000 0.497 379 L N 0.027 121.259 121.223 0.014 0.000 1.989 379 L HA -0.191 4.148 4.340 -0.001 0.000 0.211 379 L C 2.554 179.384 176.870 -0.066 0.000 1.071 379 L CA 1.511 56.328 54.840 -0.040 0.000 0.749 379 L CB -0.556 41.522 42.059 0.031 0.000 0.890 379 L HN 0.367 nan 8.230 nan 0.000 0.431 380 I N 0.258 120.812 120.570 -0.027 0.000 2.208 380 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 380 I C 2.912 179.009 176.117 -0.033 0.000 1.097 380 I CA 1.401 62.688 61.300 -0.021 0.000 1.363 380 I CB -1.090 36.907 38.000 -0.004 0.000 1.051 380 I HN 0.228 nan 8.210 nan 0.000 0.413 381 A N 1.263 124.056 122.820 -0.045 0.000 1.892 381 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 381 A C 2.515 180.067 177.584 -0.053 0.000 1.188 381 A CA 1.712 53.725 52.037 -0.040 0.000 0.631 381 A CB -0.659 18.326 19.000 -0.025 0.000 0.822 381 A HN 0.346 nan 8.150 nan 0.000 0.447 382 R N -1.154 119.271 120.500 -0.124 0.000 2.066 382 R HA -0.135 4.204 4.340 -0.001 0.000 0.232 382 R C 2.307 178.583 176.300 -0.039 0.000 1.131 382 R CA 1.587 57.627 56.100 -0.099 0.000 0.955 382 R CB -0.297 29.901 30.300 -0.170 0.000 0.851 382 R HN 0.598 nan 8.270 nan 0.000 0.432 383 E N 0.417 120.593 120.200 -0.040 0.000 2.085 383 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 383 E C 1.747 178.349 176.600 0.004 0.000 0.994 383 E CA 1.618 58.009 56.400 -0.016 0.000 0.801 383 E CB -0.082 29.607 29.700 -0.019 0.000 0.743 383 E HN 0.371 nan 8.360 nan 0.000 0.453 384 A N 0.254 123.078 122.820 0.007 0.000 1.968 384 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 384 A C 1.882 179.497 177.584 0.052 0.000 1.169 384 A CA 1.399 53.452 52.037 0.026 0.000 0.638 384 A CB -0.395 18.618 19.000 0.022 0.000 0.812 384 A HN 0.238 nan 8.150 nan 0.000 0.446 385 E N -0.251 119.984 120.200 0.058 0.000 2.268 385 E HA -0.006 4.343 4.350 -0.001 0.000 0.195 385 E C 1.996 178.698 176.600 0.171 0.000 0.995 385 E CA 0.810 57.274 56.400 0.107 0.000 0.836 385 E CB -0.146 29.616 29.700 0.103 0.000 0.763 385 E HN 0.642 nan 8.360 nan 0.000 0.491 386 A N 0.809 123.700 122.820 0.119 0.000 1.984 386 A HA 0.226 4.546 4.320 -0.001 0.000 0.214 386 A C 2.171 179.850 177.584 0.158 0.000 1.173 386 A CA 0.784 52.903 52.037 0.137 0.000 0.673 386 A CB -0.048 18.985 19.000 0.057 0.000 0.830 386 A HN 0.231 nan 8.150 nan 0.000 0.453 387 A N -0.532 122.350 122.820 0.104 0.000 2.252 387 A HA 0.357 4.676 4.320 -0.001 0.000 0.207 387 A C 1.092 178.798 177.584 0.203 0.000 1.194 387 A CA -0.051 52.046 52.037 0.099 0.000 0.809 387 A CB -0.664 18.352 19.000 0.027 0.000 0.814 387 A HN 0.561 nan 8.150 nan 0.000 0.482 388 M N -1.526 118.159 119.600 0.141 0.000 2.184 388 M HA 0.126 4.605 4.480 -0.001 0.000 0.296 388 M C 0.131 176.401 176.300 -0.051 0.000 1.165 388 M CA 0.315 55.591 55.300 -0.039 0.000 1.175 388 M CB 0.159 32.552 32.600 -0.345 0.000 1.392 388 M HN 0.313 nan 8.290 nan 0.000 0.457 389 F N 1.065 120.733 119.950 -0.469 0.000 2.550 389 F HA 0.274 4.801 4.527 -0.001 0.000 0.312 389 F C 0.746 176.353 175.800 -0.321 0.000 1.256 389 F CA -0.892 56.727 58.000 -0.635 0.000 1.182 389 F CB -1.077 37.340 39.000 -0.972 0.000 1.383 389 F HN 0.535 nan 8.300 nan 0.000 0.541 390 H N -0.240 118.837 119.070 0.011 0.000 2.362 390 H HA -0.204 4.352 4.556 -0.001 0.000 0.294 390 H C 2.520 177.706 175.328 -0.237 0.000 1.113 390 H CA 2.377 58.356 56.048 -0.115 0.000 1.253 390 H CB 0.052 29.645 29.762 -0.282 0.000 1.363 390 H HN 0.289 nan 8.280 nan 0.000 0.494 391 R N 1.258 121.612 120.500 -0.243 0.000 2.066 391 R HA -0.122 4.217 4.340 -0.001 0.000 0.232 391 R C 2.145 178.248 176.300 -0.328 0.000 1.131 391 R CA 1.690 57.608 56.100 -0.303 0.000 0.955 391 R CB -0.172 29.963 30.300 -0.276 0.000 0.851 391 R HN 0.309 nan 8.270 nan 0.000 0.432 392 K N 0.330 120.267 120.400 -0.772 0.000 2.026 392 K HA -0.151 4.168 4.320 -0.001 0.000 0.208 392 K C 2.216 178.696 176.600 -0.200 0.000 1.048 392 K CA 1.263 57.210 56.287 -0.567 0.000 0.929 392 K CB -0.264 31.733 32.500 -0.838 0.000 0.713 392 K HN 0.080 nan 8.250 nan 0.000 0.439 393 L N 0.597 121.737 121.223 -0.138 0.000 2.042 393 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 393 L C 1.972 178.906 176.870 0.106 0.000 1.076 393 L CA 1.655 56.500 54.840 0.009 0.000 0.749 393 L CB -0.606 41.458 42.059 0.010 0.000 0.893 393 L HN 0.235 nan 8.230 nan 0.000 0.432 394 F N 0.457 120.436 119.950 0.048 0.000 2.171 394 F HA -0.185 4.341 4.527 -0.001 0.000 0.300 394 F C 2.258 178.128 175.800 0.116 0.000 1.090 394 F CA 1.917 60.022 58.000 0.175 0.000 1.293 394 F CB -0.138 39.058 39.000 0.326 0.000 1.013 394 F HN 0.246 nan 8.300 nan 0.000 0.486 395 E N 0.040 120.332 120.200 0.153 0.000 2.072 395 E HA -0.210 4.139 4.350 -0.001 0.000 0.191 395 E C 2.026 178.602 176.600 -0.041 0.000 0.985 395 E CA 1.521 57.942 56.400 0.036 0.000 0.801 395 E CB -0.382 29.340 29.700 0.037 0.000 0.750 395 E HN 0.600 nan 8.360 nan 0.000 0.452 396 E N 0.566 120.751 120.200 -0.025 0.000 2.106 396 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 396 E C 2.033 178.613 176.600 -0.033 0.000 0.984 396 E CA 0.511 56.896 56.400 -0.026 0.000 0.806 396 E CB 0.027 29.719 29.700 -0.013 0.000 0.750 396 E HN 0.085 nan 8.360 nan 0.000 0.458 397 L N 0.836 122.034 121.223 -0.042 0.000 2.056 397 L HA -0.088 4.252 4.340 -0.001 0.000 0.207 397 L C 2.299 179.158 176.870 -0.018 0.000 1.078 397 L CA 1.660 56.475 54.840 -0.043 0.000 0.749 397 L CB -1.108 40.928 42.059 -0.039 0.000 0.901 397 L HN 0.028 nan 8.230 nan 0.000 0.433 398 A N -0.831 121.921 122.820 -0.114 0.000 1.877 398 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 398 A C 2.507 180.046 177.584 -0.075 0.000 1.186 398 A CA 1.518 53.470 52.037 -0.142 0.000 0.620 398 A CB -0.542 18.246 19.000 -0.352 0.000 0.822 398 A HN 0.334 nan 8.150 nan 0.000 0.443 399 R N 0.322 120.780 120.500 -0.070 0.000 2.094 399 R HA -0.175 4.164 4.340 -0.001 0.000 0.239 399 R C 2.571 178.853 176.300 -0.030 0.000 1.137 399 R CA 2.298 58.367 56.100 -0.052 0.000 0.943 399 R CB -0.690 29.589 30.300 -0.035 0.000 0.850 399 R HN 0.578 nan 8.270 nan 0.000 0.433 400 S N 0.067 115.762 115.700 -0.009 0.000 2.383 400 S HA -0.129 4.341 4.470 -0.001 0.000 0.229 400 S C 1.800 176.427 174.600 0.045 0.000 1.030 400 S CA 1.922 60.134 58.200 0.020 0.000 1.002 400 S CB -0.292 62.913 63.200 0.009 0.000 0.829 400 S HN 0.560 nan 8.310 nan 0.000 0.467 401 S N 1.146 116.869 115.700 0.039 0.000 2.593 401 S HA 0.113 4.582 4.470 -0.001 0.000 0.217 401 S C 1.767 176.383 174.600 0.028 0.000 0.966 401 S CA 0.624 58.863 58.200 0.066 0.000 0.914 401 S CB -0.369 62.909 63.200 0.130 0.000 0.776 401 S HN 0.767 nan 8.310 nan 0.000 0.523 402 S N 1.952 117.622 115.700 -0.049 0.000 2.440 402 S HA -0.268 4.202 4.470 -0.001 0.000 0.240 402 S C 1.393 175.850 174.600 -0.238 0.000 1.014 402 S CA 1.393 59.493 58.200 -0.166 0.000 0.980 402 S CB -0.917 62.161 63.200 -0.204 0.000 0.775 402 S HN 0.760 nan 8.310 nan 0.000 0.499 403 H N 0.907 119.974 119.070 -0.006 0.000 2.524 403 H HA 0.341 4.897 4.556 -0.001 0.000 0.282 403 H C 1.243 176.566 175.328 -0.009 0.000 1.016 403 H CA 0.811 56.854 56.048 -0.008 0.000 1.270 403 H CB -0.086 29.671 29.762 -0.007 0.000 1.394 403 H HN 0.409 nan 8.280 nan 0.000 0.568 404 S N -0.298 115.446 115.700 0.073 0.000 2.565 404 S HA 0.143 4.612 4.470 -0.001 0.000 0.274 404 S C 0.915 175.517 174.600 0.002 0.000 1.309 404 S CA -0.372 57.852 58.200 0.038 0.000 1.043 404 S CB 0.802 64.026 63.200 0.041 0.000 0.939 404 S HN 0.278 nan 8.310 nan 0.000 0.504 405 T N 3.002 117.551 114.554 -0.009 0.000 3.231 405 T HA 0.179 4.528 4.350 -0.001 0.000 0.292 405 T C -0.451 174.223 174.700 -0.045 0.000 1.001 405 T CA -0.387 61.697 62.100 -0.027 0.000 0.920 405 T CB -0.202 68.654 68.868 -0.020 0.000 1.140 405 T HN 0.746 nan 8.240 nan 0.000 0.525 406 D N 1.284 121.657 120.400 -0.046 0.000 2.493 406 D HA 0.043 4.682 4.640 -0.001 0.000 0.240 406 D C 1.285 177.504 176.300 -0.135 0.000 1.142 406 D CA -0.214 53.733 54.000 -0.089 0.000 0.872 406 D CB 0.603 41.358 40.800 -0.076 0.000 1.173 406 D HN -0.100 nan 8.370 nan 0.000 0.467 407 L N 3.901 124.981 121.223 -0.237 0.000 2.012 407 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 407 L C 2.116 178.743 176.870 -0.406 0.000 1.073 407 L CA 1.522 56.162 54.840 -0.334 0.000 0.748 407 L CB -0.827 40.972 42.059 -0.433 0.000 0.891 407 L HN 0.661 nan 8.230 nan 0.000 0.431 408 M N -0.932 118.321 119.600 -0.577 0.000 2.296 408 M HA -0.141 4.339 4.480 -0.001 0.000 0.265 408 M C 2.064 178.359 176.300 -0.009 0.000 1.064 408 M CA 1.448 56.599 55.300 -0.249 0.000 1.109 408 M CB -0.418 32.074 32.600 -0.180 0.000 1.396 408 M HN 0.259 nan 8.290 nan 0.000 0.430 409 E N -0.727 119.454 120.200 -0.032 0.000 2.107 409 E HA -0.090 4.259 4.350 -0.001 0.000 0.191 409 E C 1.931 178.493 176.600 -0.064 0.000 0.982 409 E CA 0.945 57.364 56.400 0.032 0.000 0.809 409 E CB -0.105 29.626 29.700 0.051 0.000 0.756 409 E HN 0.618 nan 8.360 nan 0.000 0.459 410 A N 1.006 123.792 122.820 -0.057 0.000 1.858 410 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 410 A C 2.085 179.657 177.584 -0.019 0.000 1.190 410 A CA 1.471 53.475 52.037 -0.055 0.000 0.617 410 A CB -0.449 18.536 19.000 -0.026 0.000 0.827 410 A HN 0.151 nan 8.150 nan 0.000 0.443 411 M N 0.069 119.700 119.600 0.053 0.000 2.073 411 M HA -0.156 4.323 4.480 -0.001 0.000 0.258 411 M C 2.339 178.673 176.300 0.056 0.000 1.070 411 M CA 1.851 57.211 55.300 0.099 0.000 1.103 411 M CB -0.907 31.840 32.600 0.246 0.000 1.321 411 M HN 0.442 nan 8.290 nan 0.000 0.405 412 A N -0.698 122.161 122.820 0.064 0.000 1.908 412 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 412 A C 2.205 179.782 177.584 -0.013 0.000 1.181 412 A CA 2.176 54.259 52.037 0.076 0.000 0.627 412 A CB -0.702 18.415 19.000 0.194 0.000 0.818 412 A HN 0.598 nan 8.150 nan 0.000 0.445 413 M N -0.893 118.605 119.600 -0.170 0.000 2.132 413 M HA -0.059 4.421 4.480 -0.001 0.000 0.263 413 M C 2.372 178.667 176.300 -0.007 0.000 1.065 413 M CA 1.335 56.518 55.300 -0.195 0.000 1.122 413 M CB -0.673 31.674 32.600 -0.422 0.000 1.365 413 M HN 0.503 nan 8.290 nan 0.000 0.411 414 G N -0.137 108.645 108.800 -0.031 0.000 2.440 414 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 414 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 414 G C 1.607 176.472 174.900 -0.058 0.000 1.154 414 G CA 1.234 46.317 45.100 -0.028 0.000 0.767 414 G HN 0.425 nan 8.290 nan 0.000 0.552 415 S N -0.019 115.654 115.700 -0.046 0.000 2.348 415 S HA -0.113 4.356 4.470 -0.001 0.000 0.221 415 S C 2.504 177.017 174.600 -0.146 0.000 1.033 415 S CA 1.226 59.388 58.200 -0.063 0.000 1.010 415 S CB -0.382 62.808 63.200 -0.016 0.000 0.891 415 S HN 0.173 nan 8.310 nan 0.000 0.442 416 V N 2.048 121.861 119.914 -0.168 0.000 2.407 416 V HA -0.176 3.944 4.120 -0.001 0.000 0.248 416 V C 2.594 178.207 176.094 -0.802 0.000 1.055 416 V CA 2.098 64.145 62.300 -0.421 0.000 1.049 416 V CB -0.746 30.940 31.823 -0.228 0.000 0.662 416 V HN 0.459 nan 8.190 nan 0.000 0.455 417 E N 1.343 121.198 120.200 -0.575 0.000 2.051 417 E HA -0.201 4.148 4.350 -0.001 0.000 0.192 417 E C 2.108 178.547 176.600 -0.269 0.000 0.991 417 E CA 1.992 58.088 56.400 -0.508 0.000 0.799 417 E CB -0.606 28.939 29.700 -0.258 0.000 0.748 417 E HN 0.466 nan 8.360 nan 0.000 0.449 418 A N 0.543 123.252 122.820 -0.186 0.000 1.908 418 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 418 A C 2.487 180.011 177.584 -0.101 0.000 1.181 418 A CA 2.662 54.635 52.037 -0.107 0.000 0.627 418 A CB -1.273 17.680 19.000 -0.078 0.000 0.818 418 A HN 0.484 nan 8.150 nan 0.000 0.445 419 S N -1.326 114.279 115.700 -0.158 0.000 2.383 419 S HA -0.224 4.245 4.470 -0.001 0.000 0.229 419 S C 1.912 176.485 174.600 -0.046 0.000 1.030 419 S CA 1.681 59.807 58.200 -0.123 0.000 1.002 419 S CB -0.749 62.349 63.200 -0.171 0.000 0.829 419 S HN 0.516 nan 8.310 nan 0.000 0.467 420 Y N 2.069 122.291 120.300 -0.130 0.000 2.200 420 Y HA 0.155 4.704 4.550 -0.001 0.000 0.290 420 Y C 2.630 178.469 175.900 -0.101 0.000 1.137 420 Y CA 0.922 58.939 58.100 -0.139 0.000 1.163 420 Y CB -1.028 37.311 38.460 -0.202 0.000 0.988 420 Y HN 0.282 nan 8.280 nan 0.000 0.518 421 K N 0.884 121.325 120.400 0.068 0.000 2.002 421 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 421 K C 2.013 178.620 176.600 0.012 0.000 1.048 421 K CA 2.036 58.337 56.287 0.024 0.000 0.930 421 K CB -0.910 31.590 32.500 -0.001 0.000 0.714 421 K HN 0.438 nan 8.250 nan 0.000 0.438 422 C N -0.270 119.030 119.300 0.000 0.000 2.697 422 C HA 0.432 4.892 4.460 -0.001 0.000 0.267 422 C C 0.305 175.295 174.990 -0.000 0.000 1.278 422 C CA -0.735 58.281 59.018 -0.005 0.000 1.708 422 C CB -1.185 26.546 27.740 -0.015 0.000 1.860 422 C HN 0.457 nan 8.230 nan 0.000 0.589 423 L N 0.646 121.876 121.223 0.011 0.000 3.608 423 L HA -0.151 4.189 4.340 -0.001 0.000 0.422 423 L C 1.092 177.965 176.870 0.004 0.000 1.260 423 L CA 0.528 55.375 54.840 0.012 0.000 0.889 423 L CB -2.554 39.509 42.059 0.007 0.000 1.821 423 L HN 0.747 nan 8.230 nan 0.000 0.884 424 A N -0.345 122.473 122.820 -0.004 0.000 2.555 424 A HA 0.458 4.778 4.320 -0.001 0.000 0.233 424 A C 1.592 179.183 177.584 0.012 0.000 1.060 424 A CA 0.787 52.818 52.037 -0.009 0.000 0.759 424 A CB 0.290 19.274 19.000 -0.027 0.000 0.995 424 A HN 1.040 nan 8.150 nan 0.000 0.506 425 A N 1.448 124.293 122.820 0.041 0.000 2.021 425 A HA 0.514 4.833 4.320 -0.001 0.000 0.216 425 A C 1.131 178.808 177.584 0.155 0.000 1.163 425 A CA 1.762 53.876 52.037 0.128 0.000 0.676 425 A CB -0.374 18.784 19.000 0.263 0.000 0.818 425 A HN 2.435 nan 8.150 nan 0.000 0.453 426 A N -2.007 120.889 122.820 0.127 0.000 2.540 426 A HA 0.622 4.941 4.320 -0.001 0.000 0.291 426 A C -1.943 175.675 177.584 0.056 0.000 1.083 426 A CA -0.604 51.497 52.037 0.107 0.000 0.650 426 A CB 0.233 19.414 19.000 0.301 0.000 1.292 426 A HN 0.321 nan 8.150 nan 0.000 0.435 427 L N 0.499 121.752 121.223 0.050 0.000 2.346 427 L HA 0.666 5.005 4.340 -0.001 0.000 0.276 427 L C -0.631 176.277 176.870 0.064 0.000 1.006 427 L CA -0.035 54.828 54.840 0.038 0.000 0.817 427 L CB 1.748 43.823 42.059 0.026 0.000 1.272 427 L HN 0.569 nan 8.230 nan 0.000 0.421 428 I N 3.557 124.154 120.570 0.045 0.000 2.382 428 I HA 0.482 4.651 4.170 -0.001 0.000 0.286 428 I C -0.885 175.252 176.117 0.033 0.000 1.002 428 I CA -0.733 60.597 61.300 0.050 0.000 1.135 428 I CB 1.712 39.733 38.000 0.035 0.000 1.288 428 I HN 0.220 nan 8.210 nan 0.000 0.448 429 V N 7.182 127.120 119.914 0.040 0.000 2.540 429 V HA 0.403 4.523 4.120 -0.001 0.000 0.302 429 V C -0.413 175.692 176.094 0.019 0.000 1.035 429 V CA -0.695 61.622 62.300 0.028 0.000 0.873 429 V CB 2.207 34.046 31.823 0.027 0.000 0.992 429 V HN 0.371 nan 8.190 nan 0.000 0.428 430 L N 4.180 125.410 121.223 0.013 0.000 2.277 430 L HA 0.716 5.055 4.340 -0.001 0.000 0.284 430 L C 0.182 177.069 176.870 0.027 0.000 1.028 430 L CA 0.714 55.560 54.840 0.010 0.000 0.835 430 L CB 1.273 43.324 42.059 -0.013 0.000 1.215 430 L HN 0.875 nan 8.230 nan 0.000 0.425 431 T N 1.008 115.571 114.554 0.014 0.000 2.883 431 T HA 0.527 4.876 4.350 -0.001 0.000 0.296 431 T C 0.332 175.041 174.700 0.014 0.000 1.117 431 T CA -0.348 61.758 62.100 0.010 0.000 1.006 431 T CB 1.388 70.228 68.868 -0.046 0.000 1.191 431 T HN 0.573 nan 8.240 nan 0.000 0.508 432 E N 0.587 120.801 120.200 0.023 0.000 2.357 432 E HA 0.073 4.423 4.350 -0.001 0.000 0.202 432 E C 2.173 178.790 176.600 0.029 0.000 0.855 432 E CA 0.932 57.352 56.400 0.034 0.000 1.048 432 E CB -0.416 29.318 29.700 0.057 0.000 1.037 432 E HN 0.644 nan 8.360 nan 0.000 0.499 433 S N 0.178 115.890 115.700 0.019 0.000 2.428 433 S HA 0.085 4.554 4.470 -0.001 0.000 0.230 433 S C 1.734 176.321 174.600 -0.022 0.000 1.014 433 S CA 1.088 59.305 58.200 0.029 0.000 0.957 433 S CB -0.060 63.165 63.200 0.042 0.000 0.784 433 S HN 0.362 nan 8.310 nan 0.000 0.499 434 G N 1.138 109.854 108.800 -0.140 0.000 2.141 434 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.242 434 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.242 434 G C 0.762 175.069 174.900 -0.989 0.000 0.982 434 G CA 0.407 45.268 45.100 -0.398 0.000 0.662 434 G HN 0.507 nan 8.290 nan 0.000 0.527 435 R N 0.738 120.949 120.500 -0.481 0.000 2.066 435 R HA 0.068 4.407 4.340 -0.001 0.000 0.232 435 R C 2.929 179.103 176.300 -0.210 0.000 1.131 435 R CA 2.124 58.053 56.100 -0.284 0.000 0.955 435 R CB -0.454 29.837 30.300 -0.014 0.000 0.851 435 R HN 0.402 nan 8.270 nan 0.000 0.432 436 S N 0.321 115.952 115.700 -0.114 0.000 2.359 436 S HA -0.257 4.212 4.470 -0.001 0.000 0.223 436 S C 2.022 176.589 174.600 -0.054 0.000 1.039 436 S CA 1.440 59.635 58.200 -0.009 0.000 1.042 436 S CB -0.509 62.713 63.200 0.036 0.000 0.915 436 S HN 0.544 nan 8.310 nan 0.000 0.439 437 A N 2.203 124.923 122.820 -0.167 0.000 1.883 437 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 437 A C 1.866 179.388 177.584 -0.103 0.000 1.186 437 A CA 1.923 53.881 52.037 -0.132 0.000 0.624 437 A CB -1.127 17.773 19.000 -0.167 0.000 0.822 437 A HN 0.560 nan 8.150 nan 0.000 0.444 438 H N -0.219 118.708 119.070 -0.238 0.000 2.353 438 H HA -0.132 4.423 4.556 -0.001 0.000 0.298 438 H C 2.231 177.462 175.328 -0.163 0.000 1.103 438 H CA 1.716 57.508 56.048 -0.426 0.000 1.293 438 H CB -0.428 28.997 29.762 -0.562 0.000 1.372 438 H HN 0.499 nan 8.280 nan 0.000 0.501 439 Q N 0.321 120.158 119.800 0.062 0.000 2.079 439 Q HA -0.068 4.271 4.340 -0.001 0.000 0.200 439 Q C 2.708 178.819 176.000 0.186 0.000 0.974 439 Q CA 0.786 56.658 55.803 0.116 0.000 0.840 439 Q CB -0.439 28.371 28.738 0.121 0.000 0.898 439 Q HN 0.318 nan 8.270 nan 0.000 0.430 440 V N 1.156 121.159 119.914 0.149 0.000 2.295 440 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 440 V C 2.387 178.592 176.094 0.184 0.000 1.049 440 V CA 1.806 64.214 62.300 0.180 0.000 1.024 440 V CB -1.124 30.767 31.823 0.114 0.000 0.648 440 V HN 0.314 nan 8.190 nan 0.000 0.447 441 A N 1.186 124.084 122.820 0.131 0.000 2.019 441 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 441 A C 2.351 179.998 177.584 0.105 0.000 1.164 441 A CA 1.863 53.984 52.037 0.139 0.000 0.644 441 A CB -0.596 18.498 19.000 0.156 0.000 0.805 441 A HN 0.712 nan 8.150 nan 0.000 0.449 442 R N -1.862 118.653 120.500 0.026 0.000 2.152 442 R HA -0.133 4.206 4.340 -0.001 0.000 0.232 442 R C 0.915 177.017 176.300 -0.330 0.000 1.117 442 R CA 1.699 57.703 56.100 -0.161 0.000 0.981 442 R CB -0.602 29.538 30.300 -0.265 0.000 0.870 442 R HN 0.492 nan 8.270 nan 0.000 0.451 443 Y N 1.223 121.599 120.300 0.126 0.000 2.462 443 Y HA 0.261 4.810 4.550 -0.001 0.000 0.293 443 Y C -0.037 176.041 175.900 0.296 0.000 1.195 443 Y CA -0.405 57.808 58.100 0.188 0.000 1.276 443 Y CB 0.277 38.875 38.460 0.229 0.000 1.082 443 Y HN -0.091 nan 8.280 nan 0.000 0.514 444 R N -0.621 120.052 120.500 0.288 0.000 2.974 444 R HA -0.152 4.187 4.340 -0.001 0.000 0.258 444 R C -3.038 173.525 176.300 0.439 0.000 0.892 444 R CA -0.067 56.228 56.100 0.325 0.000 0.664 444 R CB -1.977 28.500 30.300 0.295 0.000 1.478 444 R HN 0.251 nan 8.270 nan 0.000 0.498 445 P HA 0.124 nan 4.420 nan 0.000 0.274 445 P C 0.816 178.300 177.300 0.306 0.000 1.246 445 P CA -0.388 62.830 63.100 0.197 0.000 0.795 445 P CB 0.626 32.357 31.700 0.051 0.000 1.006 446 R N 1.396 122.027 120.500 0.217 0.000 2.100 446 R HA 0.118 4.457 4.340 -0.001 0.000 0.220 446 R C 0.747 177.048 176.300 0.002 0.000 1.091 446 R CA 0.524 56.583 56.100 -0.068 0.000 0.986 446 R CB -0.394 29.668 30.300 -0.397 0.000 0.888 446 R HN 0.542 nan 8.270 nan 0.000 0.444 447 A N 2.166 124.986 122.820 0.000 0.000 2.327 447 A HA 0.366 4.685 4.320 -0.001 0.000 0.255 447 A C -2.271 175.285 177.584 -0.047 0.000 1.099 447 A CA -1.337 50.674 52.037 -0.042 0.000 0.801 447 A CB -0.042 18.942 19.000 -0.027 0.000 1.062 447 A HN 0.279 nan 8.150 nan 0.000 0.496 448 P HA 0.407 nan 4.420 nan 0.000 0.284 448 P C -1.047 176.209 177.300 -0.074 0.000 1.253 448 P CA 0.007 62.952 63.100 -0.258 0.000 0.800 448 P CB 0.670 31.764 31.700 -1.009 0.000 0.961 449 I N 3.637 124.284 120.570 0.128 0.000 2.304 449 I HA 0.273 4.442 4.170 -0.001 0.000 0.291 449 I C 0.607 176.856 176.117 0.221 0.000 1.018 449 I CA -0.375 61.017 61.300 0.154 0.000 1.260 449 I CB 0.457 38.557 38.000 0.166 0.000 1.390 449 I HN 0.111 nan 8.210 nan 0.000 0.475 450 I N 6.440 127.105 120.570 0.158 0.000 2.301 450 I HA 0.367 4.536 4.170 -0.001 0.000 0.292 450 I C 0.484 176.689 176.117 0.146 0.000 1.046 450 I CA -0.292 61.124 61.300 0.193 0.000 1.282 450 I CB 0.951 39.063 38.000 0.186 0.000 1.409 450 I HN 0.617 nan 8.210 nan 0.000 0.484 451 A N 7.428 130.335 122.820 0.145 0.000 2.294 451 A HA 0.538 4.857 4.320 -0.001 0.000 0.316 451 A C -0.230 177.390 177.584 0.060 0.000 1.359 451 A CA -0.405 51.679 52.037 0.078 0.000 0.956 451 A CB 0.224 19.258 19.000 0.057 0.000 1.155 451 A HN 0.484 nan 8.150 nan 0.000 0.544 452 V N 2.898 122.837 119.914 0.042 0.000 2.406 452 V HA 0.599 4.719 4.120 -0.001 0.000 0.272 452 V C 0.562 176.662 176.094 0.009 0.000 1.043 452 V CA 0.087 62.403 62.300 0.026 0.000 0.915 452 V CB 1.049 32.882 31.823 0.016 0.000 0.988 452 V HN 0.904 nan 8.190 nan 0.000 0.466 453 T N 4.626 119.179 114.554 -0.000 0.000 2.923 453 T HA 0.380 4.729 4.350 -0.001 0.000 0.311 453 T C 0.473 175.148 174.700 -0.042 0.000 1.183 453 T CA -0.637 61.458 62.100 -0.008 0.000 1.020 453 T CB 1.592 70.461 68.868 0.002 0.000 1.165 453 T HN 0.643 nan 8.240 nan 0.000 0.482 454 R N 2.013 122.500 120.500 -0.022 0.000 2.317 454 R HA 0.184 4.523 4.340 -0.001 0.000 0.208 454 R C 0.317 176.613 176.300 -0.007 0.000 0.914 454 R CA -0.116 55.965 56.100 -0.031 0.000 1.060 454 R CB 0.198 30.512 30.300 0.023 0.000 1.015 454 R HN 0.356 nan 8.270 nan 0.000 0.498 455 N N 0.838 119.544 118.700 0.010 0.000 2.501 455 N HA 0.033 4.772 4.740 -0.001 0.000 0.245 455 N C 0.599 176.172 175.510 0.105 0.000 0.974 455 N CA -0.084 53.034 53.050 0.113 0.000 0.941 455 N CB 0.581 39.127 38.487 0.099 0.000 1.122 455 N HN 0.220 nan 8.380 nan 0.000 0.507 456 H N 1.657 120.775 119.070 0.080 0.000 2.421 456 H HA -0.151 4.404 4.556 -0.001 0.000 0.298 456 H C 1.165 176.554 175.328 0.103 0.000 1.087 456 H CA 1.133 57.241 56.048 0.101 0.000 1.330 456 H CB 0.561 30.383 29.762 0.099 0.000 1.388 456 H HN 0.636 nan 8.280 nan 0.000 0.526 457 Q N 0.831 120.762 119.800 0.218 0.000 2.016 457 Q HA -0.114 4.225 4.340 -0.001 0.000 0.200 457 Q C 2.175 178.266 176.000 0.151 0.000 0.978 457 Q CA 1.850 57.747 55.803 0.157 0.000 0.833 457 Q CB 0.170 28.981 28.738 0.122 0.000 0.895 457 Q HN 0.292 nan 8.270 nan 0.000 0.427 458 T N 0.886 115.524 114.554 0.139 0.000 2.685 458 T HA -0.262 4.088 4.350 -0.001 0.000 0.268 458 T C 1.724 176.501 174.700 0.128 0.000 1.034 458 T CA 1.366 63.547 62.100 0.136 0.000 1.149 458 T CB -0.483 68.442 68.868 0.095 0.000 0.860 458 T HN 0.478 nan 8.240 nan 0.000 0.449 459 A N 1.862 124.746 122.820 0.106 0.000 1.858 459 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 459 A C 2.387 180.038 177.584 0.112 0.000 1.190 459 A CA 1.682 53.769 52.037 0.084 0.000 0.617 459 A CB -0.530 18.507 19.000 0.063 0.000 0.827 459 A HN 0.486 nan 8.150 nan 0.000 0.443 460 R N -0.370 120.234 120.500 0.173 0.000 2.092 460 R HA -0.107 4.232 4.340 -0.001 0.000 0.231 460 R C 2.416 178.864 176.300 0.248 0.000 1.119 460 R CA 1.495 57.740 56.100 0.242 0.000 0.970 460 R CB -0.351 30.063 30.300 0.190 0.000 0.864 460 R HN 0.681 nan 8.270 nan 0.000 0.440 461 Q N 0.401 120.319 119.800 0.197 0.000 2.124 461 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 461 Q C 2.277 178.440 176.000 0.272 0.000 0.977 461 Q CA 1.357 57.287 55.803 0.211 0.000 0.850 461 Q CB -0.199 28.662 28.738 0.204 0.000 0.901 461 Q HN 0.395 nan 8.270 nan 0.000 0.429 462 A N 1.076 124.054 122.820 0.263 0.000 2.032 462 A HA -0.244 4.076 4.320 -0.001 0.000 0.221 462 A C 1.621 179.320 177.584 0.192 0.000 1.165 462 A CA 1.400 53.616 52.037 0.299 0.000 0.645 462 A CB -0.773 18.291 19.000 0.108 0.000 0.807 462 A HN 0.399 nan 8.150 nan 0.000 0.453 463 H N -1.225 117.925 119.070 0.133 0.000 2.489 463 H HA -0.102 4.453 4.556 -0.001 0.000 0.295 463 H C 1.825 177.158 175.328 0.008 0.000 1.082 463 H CA 1.361 57.432 56.048 0.040 0.000 1.295 463 H CB -0.125 29.642 29.762 0.008 0.000 1.380 463 H HN 0.327 nan 8.280 nan 0.000 0.548 464 L N 0.360 121.625 121.223 0.070 0.000 2.191 464 L HA -0.156 4.184 4.340 -0.001 0.000 0.212 464 L C 0.098 176.772 176.870 -0.327 0.000 1.103 464 L CA 1.256 55.967 54.840 -0.214 0.000 0.769 464 L CB -0.814 40.928 42.059 -0.527 0.000 0.908 464 L HN 0.112 nan 8.230 nan 0.000 0.438 465 Y N -0.820 119.484 120.300 0.006 0.000 2.342 465 Y HA 0.447 4.997 4.550 -0.001 0.000 0.334 465 Y C 0.793 176.705 175.900 0.021 0.000 1.067 465 Y CA -1.324 56.781 58.100 0.008 0.000 1.128 465 Y CB 0.489 38.971 38.460 0.037 0.000 1.200 465 Y HN -0.108 nan 8.280 nan 0.000 0.464 466 R N 1.647 122.252 120.500 0.175 0.000 2.480 466 R HA 0.307 4.646 4.340 -0.001 0.000 0.303 466 R C 1.067 177.460 176.300 0.154 0.000 0.985 466 R CA 1.233 57.408 56.100 0.125 0.000 1.051 466 R CB -0.580 29.785 30.300 0.108 0.000 0.935 466 R HN 0.993 nan 8.270 nan 0.000 0.410 467 G N 3.978 112.856 108.800 0.131 0.000 2.179 467 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.260 467 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.260 467 G C 0.139 175.202 174.900 0.271 0.000 0.977 467 G CA 0.194 45.436 45.100 0.236 0.000 0.641 467 G HN 0.566 nan 8.290 nan 0.000 0.533 468 I N 0.923 121.560 120.570 0.112 0.000 2.325 468 I HA 0.430 4.599 4.170 -0.001 0.000 0.291 468 I C -0.239 175.849 176.117 -0.049 0.000 1.019 468 I CA -0.699 60.682 61.300 0.134 0.000 1.302 468 I CB 0.654 38.717 38.000 0.106 0.000 1.401 468 I HN -0.074 nan 8.210 nan 0.000 0.485 469 F N 7.788 127.754 119.950 0.027 0.000 2.291 469 F HA 0.371 4.897 4.527 -0.001 0.000 0.368 469 F C -2.082 173.726 175.800 0.015 0.000 1.085 469 F CA -3.205 54.820 58.000 0.041 0.000 1.165 469 F CB 0.153 39.252 39.000 0.165 0.000 1.429 469 F HN 0.232 nan 8.300 nan 0.000 0.503 470 P HA 0.225 nan 4.420 nan 0.000 0.275 470 P C -0.645 176.694 177.300 0.064 0.000 1.228 470 P CA -0.170 62.937 63.100 0.010 0.000 0.786 470 P CB 2.182 33.820 31.700 -0.104 0.000 0.927 471 V N 3.813 123.769 119.914 0.070 0.000 2.610 471 V HA 0.114 4.234 4.120 -0.001 0.000 0.298 471 V C -0.194 175.933 176.094 0.055 0.000 1.067 471 V CA -0.790 61.562 62.300 0.086 0.000 0.894 471 V CB 2.409 34.289 31.823 0.095 0.000 1.015 471 V HN 0.238 nan 8.190 nan 0.000 0.432 472 V N 4.333 124.291 119.914 0.073 0.000 2.555 472 V HA 0.179 4.298 4.120 -0.001 0.000 0.286 472 V C 0.473 176.540 176.094 -0.044 0.000 1.044 472 V CA -0.217 62.057 62.300 -0.042 0.000 1.026 472 V CB 1.287 33.018 31.823 -0.154 0.000 0.981 472 V HN 0.969 nan 8.190 nan 0.000 0.480 473 C N 6.224 125.479 119.300 -0.076 0.000 2.255 473 C HA 0.426 4.885 4.460 -0.001 0.000 0.326 473 C C 1.289 176.249 174.990 -0.050 0.000 1.258 473 C CA -0.653 58.339 59.018 -0.044 0.000 1.676 473 C CB -0.378 27.346 27.740 -0.028 0.000 2.314 473 C HN 1.031 nan 8.230 nan 0.000 0.509 474 K N 2.441 122.825 120.400 -0.027 0.000 2.374 474 K HA 0.139 4.458 4.320 -0.001 0.000 0.196 474 K C 0.396 177.003 176.600 0.012 0.000 1.023 474 K CA 0.017 56.306 56.287 0.004 0.000 1.103 474 K CB 0.144 32.644 32.500 -0.001 0.000 0.848 474 K HN 0.725 nan 8.250 nan 0.000 0.528 475 D N 2.060 122.461 120.400 0.001 0.000 2.362 475 D HA 0.074 4.713 4.640 -0.001 0.000 0.242 475 D C -2.281 174.024 176.300 0.009 0.000 1.132 475 D CA -1.113 52.888 54.000 0.001 0.000 0.907 475 D CB 0.909 41.704 40.800 -0.008 0.000 1.195 475 D HN -0.066 nan 8.370 nan 0.000 0.429 476 P HA 0.056 nan 4.420 nan 0.000 0.274 476 P C -0.388 176.918 177.300 0.012 0.000 1.231 476 P CA -0.433 62.675 63.100 0.013 0.000 0.790 476 P CB 0.588 32.294 31.700 0.010 0.000 0.951 477 V N 3.626 123.553 119.914 0.022 0.000 2.485 477 V HA -0.016 4.103 4.120 -0.001 0.000 0.287 477 V C 0.825 176.932 176.094 0.022 0.000 1.022 477 V CA 0.123 62.440 62.300 0.028 0.000 1.067 477 V CB -0.203 31.648 31.823 0.047 0.000 0.967 477 V HN 0.472 nan 8.190 nan 0.000 0.479 478 Q N 3.096 122.903 119.800 0.011 0.000 2.373 478 Q HA 0.132 4.472 4.340 -0.001 0.000 0.255 478 Q C 1.162 177.178 176.000 0.028 0.000 0.980 478 Q CA 0.128 55.933 55.803 0.004 0.000 0.882 478 Q CB 0.542 29.264 28.738 -0.026 0.000 1.249 478 Q HN 0.745 nan 8.270 nan 0.000 0.438 479 E N 0.879 121.092 120.200 0.021 0.000 2.150 479 E HA -0.042 4.308 4.350 -0.001 0.000 0.193 479 E C -0.377 176.251 176.600 0.046 0.000 0.985 479 E CA 0.813 57.231 56.400 0.030 0.000 0.814 479 E CB 0.285 29.995 29.700 0.016 0.000 0.752 479 E HN 0.599 nan 8.360 nan 0.000 0.466 480 A N 0.769 123.607 122.820 0.030 0.000 2.280 480 A HA 0.040 4.359 4.320 -0.001 0.000 0.320 480 A C 0.407 178.014 177.584 0.039 0.000 1.366 480 A CA -0.585 51.472 52.037 0.033 0.000 0.938 480 A CB -0.289 18.706 19.000 -0.008 0.000 1.157 480 A HN 0.544 nan 8.150 nan 0.000 0.536 481 W N 3.234 124.486 121.300 -0.080 0.000 2.277 481 W HA -0.396 4.263 4.660 -0.001 0.000 0.327 481 W C 1.612 178.059 176.519 -0.120 0.000 1.284 481 W CA 2.850 60.135 57.345 -0.101 0.000 1.277 481 W CB -0.248 29.139 29.460 -0.121 0.000 1.141 481 W HN 0.731 nan 8.180 nan 0.000 0.482 482 A N 0.229 122.901 122.820 -0.246 0.000 1.902 482 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 482 A C 1.906 179.306 177.584 -0.306 0.000 1.181 482 A CA 1.859 53.681 52.037 -0.358 0.000 0.623 482 A CB -1.073 17.788 19.000 -0.231 0.000 0.818 482 A HN 0.487 nan 8.150 nan 0.000 0.443 483 E N -0.645 119.438 120.200 -0.194 0.000 2.051 483 E HA -0.234 4.115 4.350 -0.001 0.000 0.192 483 E C 1.751 178.244 176.600 -0.179 0.000 0.991 483 E CA 1.221 57.531 56.400 -0.150 0.000 0.799 483 E CB -0.172 29.474 29.700 -0.090 0.000 0.748 483 E HN 0.597 nan 8.360 nan 0.000 0.449 484 D N 0.135 120.413 120.400 -0.203 0.000 2.123 484 D HA -0.141 4.498 4.640 -0.001 0.000 0.196 484 D C 1.954 178.069 176.300 -0.309 0.000 0.992 484 D CA 0.820 54.694 54.000 -0.209 0.000 0.833 484 D CB -0.041 40.666 40.800 -0.156 0.000 0.954 484 D HN -0.035 nan 8.370 nan 0.000 0.455 485 V N 1.142 120.743 119.914 -0.522 0.000 2.233 485 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 485 V C 2.215 178.125 176.094 -0.307 0.000 1.050 485 V CA 2.139 64.112 62.300 -0.545 0.000 1.010 485 V CB -0.555 30.836 31.823 -0.720 0.000 0.637 485 V HN 0.264 nan 8.190 nan 0.000 0.444 486 D N -0.315 119.928 120.400 -0.260 0.000 2.133 486 D HA -0.202 4.437 4.640 -0.001 0.000 0.195 486 D C 2.139 178.362 176.300 -0.127 0.000 0.997 486 D CA 1.712 55.611 54.000 -0.168 0.000 0.840 486 D CB -0.070 40.645 40.800 -0.142 0.000 0.947 486 D HN 0.403 nan 8.370 nan 0.000 0.452 487 L N 1.125 122.270 121.223 -0.130 0.000 1.963 487 L HA -0.269 4.070 4.340 -0.001 0.000 0.220 487 L C 2.634 179.456 176.870 -0.079 0.000 1.076 487 L CA 1.685 56.469 54.840 -0.093 0.000 0.772 487 L CB -0.107 41.897 42.059 -0.092 0.000 0.892 487 L HN -0.087 nan 8.230 nan 0.000 0.435 488 R N -0.955 119.485 120.500 -0.100 0.000 2.081 488 R HA -0.146 4.193 4.340 -0.001 0.000 0.235 488 R C 2.082 178.349 176.300 -0.055 0.000 1.131 488 R CA 1.572 57.629 56.100 -0.072 0.000 0.960 488 R CB -0.594 29.655 30.300 -0.086 0.000 0.856 488 R HN 0.342 nan 8.270 nan 0.000 0.436 489 V N 2.120 121.986 119.914 -0.080 0.000 2.287 489 V HA -0.301 3.818 4.120 -0.001 0.000 0.248 489 V C 1.819 177.896 176.094 -0.029 0.000 1.053 489 V CA 1.887 64.152 62.300 -0.058 0.000 1.027 489 V CB -0.572 31.201 31.823 -0.084 0.000 0.646 489 V HN 0.410 nan 8.190 nan 0.000 0.447 490 N N 0.121 118.799 118.700 -0.038 0.000 2.289 490 N HA -0.150 4.589 4.740 -0.001 0.000 0.184 490 N C 1.790 177.307 175.510 0.011 0.000 1.016 490 N CA 1.504 54.543 53.050 -0.018 0.000 0.872 490 N CB -0.245 38.225 38.487 -0.029 0.000 0.973 490 N HN 0.464 nan 8.380 nan 0.000 0.433 491 L N 1.132 122.358 121.223 0.006 0.000 2.093 491 L HA 0.022 4.362 4.340 -0.001 0.000 0.208 491 L C 2.191 179.092 176.870 0.052 0.000 1.085 491 L CA 1.361 56.214 54.840 0.022 0.000 0.755 491 L CB -0.534 41.532 42.059 0.010 0.000 0.904 491 L HN 0.035 nan 8.230 nan 0.000 0.435 492 A N -0.343 122.515 122.820 0.063 0.000 1.897 492 A HA -0.132 4.188 4.320 -0.001 0.000 0.215 492 A C 2.202 179.910 177.584 0.207 0.000 1.181 492 A CA 1.764 53.874 52.037 0.122 0.000 0.620 492 A CB -0.495 18.576 19.000 0.118 0.000 0.821 492 A HN 0.506 nan 8.150 nan 0.000 0.443 493 M N -0.109 119.578 119.600 0.146 0.000 2.106 493 M HA -0.219 4.260 4.480 -0.001 0.000 0.259 493 M C 1.780 178.232 176.300 0.254 0.000 1.068 493 M CA 1.954 57.362 55.300 0.181 0.000 1.100 493 M CB -1.565 31.048 32.600 0.022 0.000 1.351 493 M HN 0.528 nan 8.290 nan 0.000 0.404 494 N N 0.175 118.950 118.700 0.124 0.000 2.084 494 N HA -0.108 4.631 4.740 -0.001 0.000 0.190 494 N C 1.800 177.330 175.510 0.034 0.000 1.030 494 N CA 1.191 54.287 53.050 0.076 0.000 0.849 494 N CB -0.150 38.359 38.487 0.036 0.000 1.012 494 N HN 0.050 nan 8.380 nan 0.000 0.423 495 V N 0.644 120.568 119.914 0.017 0.000 2.255 495 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 495 V C 2.412 178.327 176.094 -0.298 0.000 1.051 495 V CA 2.195 64.439 62.300 -0.094 0.000 1.018 495 V CB -1.347 30.447 31.823 -0.050 0.000 0.641 495 V HN 0.468 nan 8.190 nan 0.000 0.445 496 G N -0.656 107.965 108.800 -0.299 0.000 2.469 496 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.219 496 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.219 496 G C 1.660 176.058 174.900 -0.837 0.000 1.150 496 G CA 1.346 45.879 45.100 -0.945 0.000 0.763 496 G HN 0.459 nan 8.290 nan 0.000 0.561 497 K N 0.429 120.683 120.400 -0.243 0.000 2.009 497 K HA 0.066 4.385 4.320 -0.001 0.000 0.210 497 K C 2.963 179.463 176.600 -0.167 0.000 1.049 497 K CA 1.318 57.571 56.287 -0.056 0.000 0.929 497 K CB -0.417 32.147 32.500 0.107 0.000 0.714 497 K HN 0.236 nan 8.250 nan 0.000 0.440 498 A N 1.246 123.961 122.820 -0.176 0.000 1.859 498 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 498 A C 1.879 179.292 177.584 -0.286 0.000 1.198 498 A CA 1.763 53.692 52.037 -0.180 0.000 0.629 498 A CB -0.545 18.368 19.000 -0.145 0.000 0.830 498 A HN 0.249 nan 8.150 nan 0.000 0.446 499 R N -0.830 119.351 120.500 -0.531 0.000 2.339 499 R HA 0.081 4.420 4.340 -0.001 0.000 0.199 499 R C 1.065 177.001 176.300 -0.605 0.000 1.018 499 R CA 0.605 56.257 56.100 -0.745 0.000 1.036 499 R CB -0.578 28.777 30.300 -1.574 0.000 0.899 499 R HN 0.850 nan 8.270 nan 0.000 0.473 500 G N 1.266 109.819 108.800 -0.413 0.000 2.298 500 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.287 500 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.287 500 G C 0.243 175.124 174.900 -0.031 0.000 1.075 500 G CA -0.187 44.811 45.100 -0.169 0.000 0.960 500 G HN 0.257 nan 8.290 nan 0.000 0.502 501 F N -0.753 118.928 119.950 -0.449 0.000 2.530 501 F HA 0.392 4.918 4.527 -0.001 0.000 0.292 501 F C 1.360 176.935 175.800 -0.375 0.000 1.109 501 F CA 0.218 57.893 58.000 -0.541 0.000 1.450 501 F CB -0.330 38.149 39.000 -0.869 0.000 1.114 501 F HN 0.405 nan 8.300 nan 0.000 0.560 502 F N -2.027 118.006 119.950 0.139 0.000 2.831 502 F HA 0.666 5.192 4.527 -0.001 0.000 0.318 502 F C -0.889 174.929 175.800 0.031 0.000 1.174 502 F CA -2.345 55.692 58.000 0.062 0.000 0.918 502 F CB 0.787 39.813 39.000 0.044 0.000 1.364 502 F HN -0.420 nan 8.300 nan 0.000 0.475 503 K N -0.269 120.334 120.400 0.339 0.000 2.263 503 K HA 0.428 4.747 4.320 -0.001 0.000 0.249 503 K C -1.366 175.305 176.600 0.118 0.000 1.076 503 K CA -1.392 55.010 56.287 0.192 0.000 0.884 503 K CB 2.027 34.589 32.500 0.103 0.000 1.394 503 K HN 0.654 nan 8.250 nan 0.000 0.476 504 K N 0.528 120.966 120.400 0.064 0.000 2.448 504 K HA 0.024 4.344 4.320 -0.001 0.000 0.278 504 K C 0.443 177.043 176.600 -0.001 0.000 1.009 504 K CA 1.366 57.661 56.287 0.013 0.000 0.995 504 K CB 0.037 32.542 32.500 0.010 0.000 0.917 504 K HN 0.753 nan 8.250 nan 0.000 0.481 505 G N 2.833 111.615 108.800 -0.030 0.000 2.153 505 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.252 505 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.252 505 G C -0.418 174.466 174.900 -0.026 0.000 0.994 505 G CA 0.329 45.412 45.100 -0.028 0.000 0.698 505 G HN 0.719 nan 8.290 nan 0.000 0.521 506 D N -0.746 119.630 120.400 -0.041 0.000 2.229 506 D HA 0.630 5.269 4.640 -0.001 0.000 0.249 506 D C 0.294 176.530 176.300 -0.106 0.000 1.027 506 D CA -0.310 53.670 54.000 -0.033 0.000 0.923 506 D CB 1.919 42.751 40.800 0.052 0.000 1.174 506 D HN 0.058 nan 8.370 nan 0.000 0.443 507 V N 1.784 121.651 119.914 -0.079 0.000 2.547 507 V HA 0.515 4.634 4.120 -0.001 0.000 0.299 507 V C -0.021 176.005 176.094 -0.113 0.000 1.040 507 V CA -0.565 61.675 62.300 -0.100 0.000 0.913 507 V CB 1.995 33.781 31.823 -0.061 0.000 0.992 507 V HN 0.259 nan 8.190 nan 0.000 0.449 508 V N 5.041 124.869 119.914 -0.144 0.000 2.925 508 V HA 0.521 4.640 4.120 -0.001 0.000 0.311 508 V C -0.691 175.353 176.094 -0.083 0.000 1.104 508 V CA -0.648 61.574 62.300 -0.129 0.000 0.954 508 V CB 2.389 34.055 31.823 -0.261 0.000 1.022 508 V HN 0.599 nan 8.190 nan 0.000 0.427 509 I N 4.142 124.683 120.570 -0.049 0.000 2.353 509 I HA 0.431 4.600 4.170 -0.001 0.000 0.293 509 I C -0.237 175.866 176.117 -0.025 0.000 0.992 509 I CA -0.407 60.871 61.300 -0.037 0.000 1.268 509 I CB 1.551 39.530 38.000 -0.034 0.000 1.387 509 I HN 0.197 nan 8.210 nan 0.000 0.478 510 V N 7.594 127.494 119.914 -0.022 0.000 2.409 510 V HA 0.399 4.518 4.120 -0.001 0.000 0.291 510 V C -0.009 176.087 176.094 0.003 0.000 1.020 510 V CA -0.582 61.710 62.300 -0.014 0.000 0.848 510 V CB 1.978 33.782 31.823 -0.032 0.000 0.990 510 V HN 0.445 nan 8.190 nan 0.000 0.430 511 L N 5.938 127.168 121.223 0.012 0.000 2.280 511 L HA 0.716 5.055 4.340 -0.001 0.000 0.287 511 L C 0.442 177.325 176.870 0.022 0.000 1.023 511 L CA 0.149 55.004 54.840 0.025 0.000 0.819 511 L CB 1.727 43.809 42.059 0.038 0.000 1.212 511 L HN 0.900 nan 8.230 nan 0.000 0.420 512 T N -0.349 114.224 114.554 0.032 0.000 2.804 512 T HA 0.771 5.120 4.350 -0.001 0.000 0.290 512 T C -0.156 174.604 174.700 0.100 0.000 1.099 512 T CA -0.726 61.400 62.100 0.042 0.000 1.011 512 T CB 1.825 70.686 68.868 -0.011 0.000 1.291 512 T HN 0.487 nan 8.240 nan 0.000 0.523 513 G N -0.559 108.370 108.800 0.216 0.000 2.379 513 G HA2 0.422 4.382 3.960 -0.001 0.000 0.327 513 G HA3 0.422 4.382 3.960 -0.001 0.000 0.327 513 G C 0.330 175.510 174.900 0.467 0.000 1.145 513 G CA -0.898 44.372 45.100 0.283 0.000 0.905 513 G HN 0.794 nan 8.290 nan 0.000 0.466 514 W N 2.755 124.115 121.300 0.101 0.000 2.332 514 W HA -0.034 4.626 4.660 -0.001 0.000 0.321 514 W C 0.434 177.071 176.519 0.196 0.000 1.219 514 W CA 0.805 58.232 57.345 0.135 0.000 1.277 514 W CB 0.353 29.816 29.460 0.004 0.000 1.161 514 W HN 0.391 nan 8.180 nan 0.000 0.476 515 R N -0.461 120.010 120.500 -0.047 0.000 2.803 515 R HA 0.311 4.650 4.340 -0.001 0.000 0.276 515 R C -2.427 173.161 176.300 -1.186 0.000 0.978 515 R CA -2.202 53.537 56.100 -0.602 0.000 0.939 515 R CB 0.511 30.637 30.300 -0.290 0.000 1.179 515 R HN -0.259 nan 8.270 nan 0.000 0.472 516 P HA 0.016 nan 4.420 nan 0.000 0.262 516 P C 0.114 176.973 177.300 -0.736 0.000 1.182 516 P CA 0.506 62.548 63.100 -1.764 0.000 0.761 516 P CB 0.446 31.554 31.700 -0.986 0.000 0.795 517 G N 2.427 110.939 108.800 -0.479 0.000 2.353 517 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.294 517 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.294 517 G C 0.900 175.685 174.900 -0.191 0.000 1.077 517 G CA 0.216 45.180 45.100 -0.227 0.000 1.098 517 G HN 0.497 nan 8.290 nan 0.000 0.511 518 S N -1.251 114.340 115.700 -0.181 0.000 2.503 518 S HA 0.404 4.873 4.470 -0.001 0.000 0.217 518 S C 2.306 176.885 174.600 -0.036 0.000 0.999 518 S CA 1.800 59.926 58.200 -0.123 0.000 0.914 518 S CB -0.081 63.045 63.200 -0.124 0.000 0.782 518 S HN 2.310 nan 8.310 nan 0.000 0.520 519 G N 0.975 109.797 108.800 0.036 0.000 3.922 519 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.208 519 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.208 519 G C -0.015 175.058 174.900 0.289 0.000 1.491 519 G CA 0.150 45.366 45.100 0.192 0.000 1.017 519 G HN 0.747 nan 8.290 nan 0.000 0.603 520 F N -1.177 118.795 119.950 0.036 0.000 2.706 520 F HA 0.833 5.359 4.527 -0.001 0.000 0.328 520 F C 0.018 175.860 175.800 0.071 0.000 1.123 520 F CA -0.869 57.156 58.000 0.042 0.000 0.978 520 F CB 0.965 39.984 39.000 0.031 0.000 1.404 520 F HN 0.077 nan 8.300 nan 0.000 0.497 521 T N 1.537 116.045 114.554 -0.077 0.000 3.182 521 T HA 0.124 4.473 4.350 -0.001 0.000 0.274 521 T C 0.809 175.337 174.700 -0.286 0.000 0.997 521 T CA 0.264 62.297 62.100 -0.110 0.000 1.082 521 T CB -1.561 67.335 68.868 0.046 0.000 1.005 521 T HN 0.729 nan 8.240 nan 0.000 0.688 522 N N 1.525 119.852 118.700 -0.622 0.000 2.314 522 N HA 0.028 4.767 4.740 -0.001 0.000 0.200 522 N C -0.298 175.135 175.510 -0.130 0.000 1.135 522 N CA -0.547 52.164 53.050 -0.564 0.000 0.835 522 N CB 0.542 38.531 38.487 -0.830 0.000 0.989 522 N HN 0.214 nan 8.380 nan 0.000 0.478 523 T N 0.856 115.401 114.554 -0.015 0.000 2.879 523 T HA 0.311 4.660 4.350 -0.001 0.000 0.290 523 T C -1.070 173.667 174.700 0.062 0.000 0.993 523 T CA -0.676 61.474 62.100 0.082 0.000 0.975 523 T CB 2.017 71.050 68.868 0.274 0.000 0.981 523 T HN 0.079 nan 8.240 nan 0.000 0.439 524 M N 3.396 123.023 119.600 0.046 0.000 2.326 524 M HA 0.560 5.039 4.480 -0.001 0.000 0.306 524 M C -1.428 174.886 176.300 0.024 0.000 1.054 524 M CA -0.475 54.843 55.300 0.029 0.000 0.922 524 M CB 1.821 34.430 32.600 0.016 0.000 1.632 524 M HN 0.644 nan 8.290 nan 0.000 0.436 525 R N 2.317 122.825 120.500 0.013 0.000 2.725 525 R HA 0.685 5.024 4.340 -0.001 0.000 0.277 525 R C -1.484 174.806 176.300 -0.017 0.000 0.987 525 R CA -0.862 55.241 56.100 0.004 0.000 0.901 525 R CB 2.848 33.154 30.300 0.010 0.000 1.207 525 R HN 0.520 nan 8.270 nan 0.000 0.463 526 V N 3.544 123.445 119.914 -0.022 0.000 2.407 526 V HA 0.435 4.554 4.120 -0.001 0.000 0.278 526 V C -0.302 175.766 176.094 -0.043 0.000 1.037 526 V CA -0.321 61.958 62.300 -0.035 0.000 0.900 526 V CB 1.532 33.336 31.823 -0.032 0.000 0.983 526 V HN 0.562 nan 8.190 nan 0.000 0.459 527 V N 5.533 125.408 119.914 -0.064 0.000 2.971 527 V HA 0.810 4.929 4.120 -0.001 0.000 0.309 527 V C -2.933 173.097 176.094 -0.107 0.000 1.130 527 V CA -2.325 59.929 62.300 -0.076 0.000 0.964 527 V CB 2.908 34.683 31.823 -0.081 0.000 1.029 527 V HN 0.666 nan 8.190 nan 0.000 0.427 528 P HA 0.397 nan 4.420 nan 0.000 0.282 528 P C -0.529 176.680 177.300 -0.152 0.000 1.249 528 P CA -0.307 62.726 63.100 -0.111 0.000 0.806 528 P CB 1.399 33.054 31.700 -0.075 0.000 0.984 529 V N 4.927 124.726 119.914 -0.191 0.000 2.488 529 V HA 0.185 4.304 4.120 -0.001 0.000 0.277 529 V C -1.603 174.419 176.094 -0.120 0.000 1.046 529 V CA -1.309 60.851 62.300 -0.233 0.000 0.986 529 V CB 0.268 31.891 31.823 -0.334 0.000 0.989 529 V HN 0.609 nan 8.190 nan 0.000 0.475 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.068 63.100 -0.053 0.000 0.800 530 P CB 0.000 31.671 31.700 -0.049 0.000 0.726