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 2vd6_1_B DATA FIRST_RESID 5 DATA SEQUENCE GDHGSPDSYR SPLASRYASP EMCFVFSDRY KFRTWRQLWL WLAEAEQTLG DATA SEQUENCE LPITDEQIQE MKSNLENIDF KMAAEEEKRL RHDVMAHVHT FGHCCPKAAG DATA SEQUENCE IIHLGATSCY VGDNTDLIIL RNALDLLLPK LARVISRLAD FAKERASLPT DATA SEQUENCE LGFTHFQPAQ LTTVGKRCCL WIQDLCMDLQ NLKRVRDDLR FRGVKGTTGT DATA SEQUENCE QASFLQLFEG DDHKVEQLDK MVTEKAGFKR AFIITGQTYT RKVDIEVLSV DATA SEQUENCE LASLGASVHK ICTDIRLLAN LKEMEEPFXX XXXXXXXXXY KRNPMRSERC DATA SEQUENCE CSLARHLMTL VMDPLQTASV QWFERTLDDS ANRRICLAEA FLTADTILNT DATA SEQUENCE LQNISEGLVV YPKVIERRIR QELPFMATEN IIMAMVKAGG SRQDCHEKIR DATA SEQUENCE VLSQQAASVV KQEGGDNDLI ERIQVDAYFS PIHSQLDHLL DPSSFTGRAS DATA SEQUENCE QQVQRFLEEE VYPLLKPYES VM 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.985 3.960 0.042 0.000 0.244 5 G C 0.000 174.852 174.900 -0.079 0.000 0.946 5 G CA 0.000 45.071 45.100 -0.048 0.000 0.502 6 D N 0.103 120.440 120.400 -0.106 0.000 2.429 6 D HA 0.158 4.823 4.640 0.042 0.000 0.242 6 D C 1.628 177.751 176.300 -0.294 0.000 1.076 6 D CA 0.916 54.786 54.000 -0.216 0.000 0.955 6 D CB 0.049 40.704 40.800 -0.241 0.000 1.076 6 D HN 0.412 nan 8.370 nan 0.000 0.448 7 H N -1.118 117.924 119.070 -0.047 0.000 2.586 7 H HA 0.526 5.106 4.556 0.039 0.000 0.273 7 H C 0.547 175.834 175.328 -0.068 0.000 0.997 7 H CA 0.096 56.108 56.048 -0.061 0.000 1.177 7 H CB 1.021 30.738 29.762 -0.074 0.000 1.471 7 H HN 0.320 nan 8.280 nan 0.000 0.538 8 G N -0.124 108.688 108.800 0.021 0.000 2.384 8 G HA2 -0.176 3.809 3.960 0.042 0.000 0.668 8 G HA3 -0.176 3.809 3.960 0.042 0.000 0.668 8 G C -0.681 174.216 174.900 -0.006 0.000 1.280 8 G CA -0.472 44.626 45.100 -0.003 0.000 0.992 8 G HN 0.203 nan 8.290 nan 0.000 0.512 9 S N 0.267 115.962 115.700 -0.008 0.000 2.572 9 S HA 0.526 5.021 4.470 0.042 0.000 0.279 9 S C -0.554 174.041 174.600 -0.008 0.000 1.341 9 S CA -0.186 58.011 58.200 -0.006 0.000 1.043 9 S CB 1.001 64.200 63.200 -0.002 0.000 0.887 9 S HN 0.473 nan 8.310 nan 0.000 0.516 10 P HA 0.114 nan 4.420 nan 0.000 0.237 10 P C -0.139 177.162 177.300 0.001 0.000 1.178 10 P CA 0.562 63.656 63.100 -0.010 0.000 0.766 10 P CB -0.050 31.644 31.700 -0.010 0.000 0.876 11 D N -1.324 119.079 120.400 0.005 0.000 2.352 11 D HA 0.054 4.719 4.640 0.042 0.000 0.232 11 D C 0.438 176.752 176.300 0.025 0.000 1.055 11 D CA 0.650 54.658 54.000 0.013 0.000 0.891 11 D CB 0.011 40.818 40.800 0.011 0.000 0.897 11 D HN 0.044 nan 8.370 nan 0.000 0.529 12 S N -1.069 114.648 115.700 0.027 0.000 2.588 12 S HA 0.290 4.785 4.470 0.042 0.000 0.275 12 S C -1.399 173.243 174.600 0.069 0.000 1.130 12 S CA -0.928 57.304 58.200 0.055 0.000 0.855 12 S CB 0.543 63.772 63.200 0.047 0.000 1.116 12 S HN 0.131 nan 8.310 nan 0.000 0.472 13 Y N 3.479 123.776 120.300 -0.006 0.000 2.721 13 Y HA 0.332 4.889 4.550 0.011 0.000 0.329 13 Y C 0.091 175.985 175.900 -0.011 0.000 1.211 13 Y CA 0.677 58.770 58.100 -0.011 0.000 1.512 13 Y CB 0.335 38.788 38.460 -0.011 0.000 1.249 13 Y HN 0.532 nan 8.280 nan 0.000 0.549 14 R N 4.465 124.528 120.500 -0.728 0.000 2.534 14 R HA 0.300 4.665 4.340 0.042 0.000 0.301 14 R C -0.532 175.188 176.300 -0.967 0.000 0.961 14 R CA -1.012 54.691 56.100 -0.662 0.000 0.871 14 R CB 1.774 31.888 30.300 -0.310 0.000 1.170 14 R HN 0.706 nan 8.270 nan 0.000 0.446 15 S N 3.507 118.761 115.700 -0.743 0.000 2.546 15 S HA 0.046 4.541 4.470 0.042 0.000 0.290 15 S C -1.115 173.314 174.600 -0.285 0.000 1.290 15 S CA -1.206 56.739 58.200 -0.424 0.000 1.069 15 S CB 0.568 63.683 63.200 -0.142 0.000 0.846 15 S HN 0.466 nan 8.310 nan 0.000 0.495 16 P HA -0.082 nan 4.420 nan 0.000 0.220 16 P C 1.441 178.677 177.300 -0.107 0.000 1.148 16 P CA 0.936 63.932 63.100 -0.173 0.000 0.803 16 P CB -0.012 31.669 31.700 -0.032 0.000 0.782 17 L N -0.909 120.341 121.223 0.045 0.000 2.187 17 L HA -0.146 4.219 4.340 0.042 0.000 0.213 17 L C 2.593 179.443 176.870 -0.033 0.000 1.100 17 L CA 1.510 56.405 54.840 0.092 0.000 0.765 17 L CB -0.859 41.232 42.059 0.054 0.000 0.904 17 L HN -0.007 nan 8.230 nan 0.000 0.437 18 A N -0.487 122.246 122.820 -0.146 0.000 1.887 18 A HA -0.086 4.259 4.320 0.042 0.000 0.212 18 A C 2.402 179.634 177.584 -0.586 0.000 1.198 18 A CA 1.134 53.027 52.037 -0.240 0.000 0.628 18 A CB -0.395 18.497 19.000 -0.180 0.000 0.847 18 A HN 0.412 nan 8.150 nan 0.000 0.449 19 S N -1.577 113.745 115.700 -0.630 0.000 2.501 19 S HA 0.135 4.630 4.470 0.042 0.000 0.220 19 S C 1.722 176.058 174.600 -0.440 0.000 0.997 19 S CA 0.788 58.542 58.200 -0.743 0.000 0.919 19 S CB 0.081 63.004 63.200 -0.462 0.000 0.778 19 S HN 0.544 nan 8.310 nan 0.000 0.523 20 R N -1.565 118.671 120.500 -0.439 0.000 2.350 20 R HA 0.324 4.689 4.340 0.042 0.000 0.199 20 R C 0.952 176.961 176.300 -0.486 0.000 0.876 20 R CA 0.278 56.048 56.100 -0.550 0.000 1.062 20 R CB 0.298 30.054 30.300 -0.907 0.000 1.263 20 R HN 0.391 nan 8.270 nan 0.000 0.641 21 Y N -0.238 120.005 120.300 -0.095 0.000 2.583 21 Y HA 0.473 5.045 4.550 0.038 0.000 0.270 21 Y C 0.807 176.682 175.900 -0.042 0.000 1.113 21 Y CA -0.091 57.971 58.100 -0.063 0.000 1.307 21 Y CB -0.457 37.966 38.460 -0.063 0.000 1.369 21 Y HN -0.014 nan 8.280 nan 0.000 0.506 22 A N 1.012 123.911 122.820 0.131 0.000 2.386 22 A HA 0.424 4.769 4.320 0.042 0.000 0.248 22 A C 0.592 178.219 177.584 0.072 0.000 1.082 22 A CA 0.007 52.099 52.037 0.091 0.000 0.789 22 A CB -0.287 18.762 19.000 0.081 0.000 1.025 22 A HN 0.372 nan 8.150 nan 0.000 0.490 23 S N 1.742 117.486 115.700 0.074 0.000 2.579 23 S HA 0.232 4.727 4.470 0.042 0.000 0.275 23 S C -1.832 172.819 174.600 0.086 0.000 1.345 23 S CA -0.490 57.752 58.200 0.069 0.000 1.031 23 S CB 0.266 63.503 63.200 0.063 0.000 0.892 23 S HN 0.463 nan 8.310 nan 0.000 0.529 24 P HA -0.122 nan 4.420 nan 0.000 0.216 24 P C 1.094 178.459 177.300 0.108 0.000 1.150 24 P CA 1.381 64.536 63.100 0.091 0.000 0.843 24 P CB 0.001 31.730 31.700 0.048 0.000 0.787 25 E N -1.257 118.993 120.200 0.084 0.000 2.031 25 E HA -0.183 4.192 4.350 0.042 0.000 0.193 25 E C 1.976 178.641 176.600 0.109 0.000 0.994 25 E CA 1.325 57.781 56.400 0.093 0.000 0.800 25 E CB -0.950 28.787 29.700 0.061 0.000 0.752 25 E HN 0.122 nan 8.360 nan 0.000 0.447 26 M N -0.039 119.624 119.600 0.106 0.000 2.175 26 M HA -0.101 4.404 4.480 0.042 0.000 0.264 26 M C 1.892 178.298 176.300 0.178 0.000 1.063 26 M CA 1.350 56.731 55.300 0.135 0.000 1.119 26 M CB -0.337 32.363 32.600 0.166 0.000 1.377 26 M HN 0.202 nan 8.290 nan 0.000 0.415 27 C N -0.320 119.077 119.300 0.161 0.000 2.413 27 C HA -0.167 4.319 4.460 0.042 0.000 0.276 27 C C 2.551 177.630 174.990 0.148 0.000 1.248 27 C CA 0.990 60.106 59.018 0.164 0.000 1.742 27 C CB -1.577 26.261 27.740 0.162 0.000 2.017 27 C HN 0.687 nan 8.230 nan 0.000 0.481 28 F N 1.379 121.321 119.950 -0.014 0.000 2.146 28 F HA -0.097 4.456 4.527 0.044 0.000 0.298 28 F C 2.201 177.852 175.800 -0.249 0.000 1.096 28 F CA 1.425 59.385 58.000 -0.067 0.000 1.275 28 F CB -0.541 38.433 39.000 -0.042 0.000 1.008 28 F HN 0.021 nan 8.300 nan 0.000 0.480 29 V N -0.421 119.200 119.914 -0.489 0.000 2.469 29 V HA -0.291 3.855 4.120 0.042 0.000 0.251 29 V C 1.509 176.963 176.094 -1.067 0.000 1.064 29 V CA 1.703 63.336 62.300 -1.111 0.000 1.066 29 V CB -0.852 30.487 31.823 -0.806 0.000 0.667 29 V HN 0.270 nan 8.190 nan 0.000 0.461 30 F N 0.101 119.828 119.950 -0.372 0.000 2.647 30 F HA 0.267 4.819 4.527 0.042 0.000 0.300 30 F C 1.291 176.967 175.800 -0.207 0.000 1.106 30 F CA -0.226 57.630 58.000 -0.239 0.000 1.313 30 F CB -0.040 38.882 39.000 -0.130 0.000 1.007 30 F HN 0.102 nan 8.300 nan 0.000 0.536 31 S N -1.339 114.257 115.700 -0.173 0.000 2.632 31 S HA 0.174 4.669 4.470 0.042 0.000 0.271 31 S C 0.963 175.421 174.600 -0.236 0.000 1.260 31 S CA -0.721 57.391 58.200 -0.146 0.000 1.010 31 S CB 1.326 64.458 63.200 -0.115 0.000 0.965 31 S HN 0.101 nan 8.310 nan 0.000 0.534 32 D N 0.780 121.059 120.400 -0.202 0.000 2.178 32 D HA -0.067 4.599 4.640 0.042 0.000 0.202 32 D C 1.966 178.172 176.300 -0.157 0.000 0.974 32 D CA 0.942 54.742 54.000 -0.334 0.000 0.841 32 D CB -0.280 40.504 40.800 -0.027 0.000 0.953 32 D HN 0.732 nan 8.370 nan 0.000 0.478 33 R N -0.396 120.129 120.500 0.042 0.000 2.091 33 R HA -0.216 4.149 4.340 0.042 0.000 0.238 33 R C 2.298 178.574 176.300 -0.041 0.000 1.136 33 R CA 1.215 57.436 56.100 0.202 0.000 0.959 33 R CB -0.501 29.964 30.300 0.274 0.000 0.856 33 R HN 0.223 nan 8.270 nan 0.000 0.437 34 Y N 1.126 121.164 120.300 -0.436 0.000 2.200 34 Y HA -0.162 4.411 4.550 0.040 0.000 0.290 34 Y C 2.322 177.933 175.900 -0.482 0.000 1.137 34 Y CA 2.019 59.772 58.100 -0.579 0.000 1.163 34 Y CB -0.046 37.828 38.460 -0.978 0.000 0.988 34 Y HN 0.043 nan 8.280 nan 0.000 0.518 35 K N -0.415 119.717 120.400 -0.447 0.000 1.991 35 K HA -0.199 4.146 4.320 0.042 0.000 0.212 35 K C 1.687 177.717 176.600 -0.950 0.000 1.049 35 K CA 2.184 58.026 56.287 -0.743 0.000 0.932 35 K CB -0.490 31.336 32.500 -1.123 0.000 0.717 35 K HN 0.289 nan 8.250 nan 0.000 0.441 36 F N 0.984 120.530 119.950 -0.673 0.000 2.367 36 F HA 0.076 4.622 4.527 0.032 0.000 0.298 36 F C 2.512 178.073 175.800 -0.398 0.000 1.094 36 F CA 0.851 58.415 58.000 -0.727 0.000 1.409 36 F CB -0.605 38.047 39.000 -0.580 0.000 1.064 36 F HN 0.107 nan 8.300 nan 0.000 0.528 37 R N 0.255 120.646 120.500 -0.182 0.000 2.091 37 R HA -0.153 4.212 4.340 0.042 0.000 0.238 37 R C 1.821 177.949 176.300 -0.287 0.000 1.136 37 R CA 2.132 58.108 56.100 -0.207 0.000 0.959 37 R CB -0.581 29.598 30.300 -0.202 0.000 0.856 37 R HN 0.174 nan 8.270 nan 0.000 0.437 38 T N -0.169 114.160 114.554 -0.375 0.000 2.904 38 T HA -0.109 4.266 4.350 0.042 0.000 0.267 38 T C 1.075 175.657 174.700 -0.197 0.000 1.059 38 T CA 1.094 62.990 62.100 -0.341 0.000 1.137 38 T CB -0.223 68.424 68.868 -0.368 0.000 0.879 38 T HN 0.365 nan 8.240 nan 0.000 0.467 39 W N 2.299 123.318 121.300 -0.467 0.000 2.338 39 W HA 0.005 4.690 4.660 0.042 0.000 0.304 39 W C 2.449 178.527 176.519 -0.735 0.000 1.212 39 W CA 0.357 57.280 57.345 -0.703 0.000 1.264 39 W CB -0.784 28.281 29.460 -0.658 0.000 1.142 39 W HN 0.238 nan 8.180 nan 0.000 0.512 40 R N -0.484 119.914 120.500 -0.170 0.000 2.073 40 R HA -0.160 4.205 4.340 0.042 0.000 0.229 40 R C 2.058 178.303 176.300 -0.092 0.000 1.120 40 R CA 1.499 57.524 56.100 -0.126 0.000 0.967 40 R CB -0.767 29.206 30.300 -0.546 0.000 0.862 40 R HN 0.062 nan 8.270 nan 0.000 0.436 41 Q N 1.371 120.992 119.800 -0.298 0.000 2.077 41 Q HA -0.147 4.218 4.340 0.042 0.000 0.206 41 Q C 1.911 177.483 176.000 -0.713 0.000 0.989 41 Q CA 1.686 57.133 55.803 -0.594 0.000 0.853 41 Q CB -0.323 27.954 28.738 -0.769 0.000 0.907 41 Q HN 0.332 nan 8.270 nan 0.000 0.418 42 L N -1.250 119.720 121.223 -0.421 0.000 2.083 42 L HA -0.176 4.189 4.340 0.042 0.000 0.209 42 L C 2.192 179.259 176.870 0.328 0.000 1.083 42 L CA 0.888 55.700 54.840 -0.047 0.000 0.752 42 L CB -0.538 41.352 42.059 -0.281 0.000 0.899 42 L HN 0.400 nan 8.230 nan 0.000 0.433 43 W N -0.356 121.107 121.300 0.273 0.000 2.363 43 W HA -0.174 4.510 4.660 0.040 0.000 0.296 43 W C 2.348 179.044 176.519 0.295 0.000 1.212 43 W CA 0.796 58.362 57.345 0.368 0.000 1.260 43 W CB -0.680 29.019 29.460 0.397 0.000 1.131 43 W HN 0.198 nan 8.180 nan 0.000 0.530 44 L N -0.399 121.061 121.223 0.394 0.000 2.027 44 L HA -0.136 4.229 4.340 0.042 0.000 0.206 44 L C 2.153 179.209 176.870 0.309 0.000 1.074 44 L CA 1.881 56.880 54.840 0.264 0.000 0.745 44 L CB -1.343 40.775 42.059 0.098 0.000 0.898 44 L HN -0.126 nan 8.230 nan 0.000 0.433 45 W N -0.587 120.863 121.300 0.249 0.000 2.342 45 W HA -0.197 4.488 4.660 0.042 0.000 0.297 45 W C 2.498 179.146 176.519 0.215 0.000 1.213 45 W CA 1.203 58.669 57.345 0.203 0.000 1.251 45 W CB -1.187 28.388 29.460 0.191 0.000 1.136 45 W HN 0.271 nan 8.180 nan 0.000 0.526 46 L N 1.173 122.699 121.223 0.505 0.000 1.994 46 L HA -0.115 4.250 4.340 0.042 0.000 0.208 46 L C 2.513 179.532 176.870 0.249 0.000 1.071 46 L CA 2.871 57.903 54.840 0.321 0.000 0.745 46 L CB -1.355 40.856 42.059 0.253 0.000 0.892 46 L HN -0.101 nan 8.230 nan 0.000 0.431 47 A N -0.899 122.079 122.820 0.262 0.000 1.908 47 A HA -0.258 4.087 4.320 0.042 0.000 0.218 47 A C 2.155 179.842 177.584 0.172 0.000 1.181 47 A CA 1.965 54.114 52.037 0.188 0.000 0.627 47 A CB -0.703 18.398 19.000 0.170 0.000 0.818 47 A HN 0.628 nan 8.150 nan 0.000 0.445 48 E N -0.392 119.932 120.200 0.207 0.000 2.038 48 E HA -0.146 4.229 4.350 0.042 0.000 0.195 48 E C 2.402 179.093 176.600 0.151 0.000 1.000 48 E CA 1.113 57.621 56.400 0.181 0.000 0.803 48 E CB -0.326 29.512 29.700 0.230 0.000 0.750 48 E HN 0.613 nan 8.360 nan 0.000 0.448 49 A N 1.356 124.274 122.820 0.164 0.000 1.877 49 A HA -0.256 4.089 4.320 0.042 0.000 0.216 49 A C 1.953 179.622 177.584 0.141 0.000 1.186 49 A CA 1.634 53.743 52.037 0.121 0.000 0.620 49 A CB -0.513 18.553 19.000 0.110 0.000 0.822 49 A HN 0.187 nan 8.150 nan 0.000 0.443 50 E N -0.847 119.459 120.200 0.177 0.000 2.118 50 E HA -0.261 4.114 4.350 0.042 0.000 0.195 50 E C 2.276 178.983 176.600 0.178 0.000 0.992 50 E CA 1.320 57.852 56.400 0.219 0.000 0.804 50 E CB -0.159 29.637 29.700 0.160 0.000 0.741 50 E HN 0.787 nan 8.360 nan 0.000 0.458 51 Q N 0.271 120.149 119.800 0.129 0.000 2.050 51 Q HA -0.161 4.204 4.340 0.042 0.000 0.202 51 Q C 2.032 178.088 176.000 0.094 0.000 0.980 51 Q CA 1.909 57.771 55.803 0.100 0.000 0.840 51 Q CB 0.031 28.819 28.738 0.084 0.000 0.898 51 Q HN 0.203 nan 8.270 nan 0.000 0.424 52 T N 1.496 116.102 114.554 0.087 0.000 2.720 52 T HA -0.126 4.249 4.350 0.042 0.000 0.268 52 T C 1.574 176.307 174.700 0.054 0.000 1.037 52 T CA 1.141 63.277 62.100 0.059 0.000 1.144 52 T CB -0.123 68.770 68.868 0.042 0.000 0.864 52 T HN 0.277 nan 8.240 nan 0.000 0.444 53 L N 0.300 121.570 121.223 0.079 0.000 2.627 53 L HA 0.280 4.645 4.340 0.042 0.000 0.233 53 L C 1.918 178.888 176.870 0.167 0.000 1.144 53 L CA 0.396 55.267 54.840 0.052 0.000 0.892 53 L CB -0.298 41.733 42.059 -0.047 0.000 1.039 53 L HN 0.538 nan 8.230 nan 0.000 0.442 54 G N -0.532 108.367 108.800 0.165 0.000 2.192 54 G HA2 -0.199 3.786 3.960 0.042 0.000 0.193 54 G HA3 -0.199 3.786 3.960 0.042 0.000 0.193 54 G C 0.237 175.220 174.900 0.138 0.000 0.999 54 G CA -0.602 44.584 45.100 0.143 0.000 0.659 54 G HN 0.121 nan 8.290 nan 0.000 0.503 55 L N 2.159 123.476 121.223 0.156 0.000 2.461 55 L HA 0.304 4.669 4.340 0.042 0.000 0.272 55 L C -1.318 175.576 176.870 0.040 0.000 1.197 55 L CA -1.390 53.488 54.840 0.062 0.000 0.836 55 L CB 0.381 42.444 42.059 0.008 0.000 1.105 55 L HN 0.002 nan 8.230 nan 0.000 0.477 56 P HA 0.224 nan 4.420 nan 0.000 0.256 56 P C -0.710 176.590 177.300 0.001 0.000 1.688 56 P CA 0.372 63.475 63.100 0.006 0.000 1.162 56 P CB -0.118 31.577 31.700 -0.008 0.000 1.870 57 I N 2.305 122.884 120.570 0.016 0.000 2.466 57 I HA 0.245 4.441 4.170 0.042 0.000 0.289 57 I C 0.935 177.062 176.117 0.017 0.000 1.026 57 I CA -0.649 60.659 61.300 0.014 0.000 1.078 57 I CB 2.491 40.510 38.000 0.032 0.000 1.249 57 I HN 0.111 nan 8.210 nan 0.000 0.429 58 T N -0.316 114.241 114.554 0.006 0.000 2.899 58 T HA 0.226 4.602 4.350 0.042 0.000 0.284 58 T C 0.615 175.323 174.700 0.014 0.000 1.004 58 T CA -0.643 61.462 62.100 0.007 0.000 1.043 58 T CB 1.479 70.344 68.868 -0.005 0.000 1.013 58 T HN 0.442 nan 8.240 nan 0.000 0.518 59 D N 0.371 120.781 120.400 0.017 0.000 2.178 59 D HA -0.077 4.588 4.640 0.042 0.000 0.201 59 D C 1.871 178.180 176.300 0.015 0.000 0.980 59 D CA 1.107 55.120 54.000 0.023 0.000 0.842 59 D CB -0.083 40.730 40.800 0.023 0.000 0.948 59 D HN 0.765 nan 8.370 nan 0.000 0.472 60 E N 0.415 120.617 120.200 0.004 0.000 2.058 60 E HA -0.212 4.163 4.350 0.042 0.000 0.194 60 E C 2.099 178.690 176.600 -0.015 0.000 0.997 60 E CA 0.950 57.346 56.400 -0.006 0.000 0.801 60 E CB 0.011 29.702 29.700 -0.016 0.000 0.746 60 E HN 0.385 nan 8.360 nan 0.000 0.450 61 Q N 0.154 119.941 119.800 -0.021 0.000 2.096 61 Q HA -0.176 4.189 4.340 0.042 0.000 0.204 61 Q C 2.277 178.264 176.000 -0.020 0.000 0.982 61 Q CA 1.265 57.044 55.803 -0.040 0.000 0.850 61 Q CB -0.107 28.607 28.738 -0.041 0.000 0.901 61 Q HN 0.364 nan 8.270 nan 0.000 0.422 62 I N 0.516 121.095 120.570 0.016 0.000 2.202 62 I HA -0.304 3.891 4.170 0.042 0.000 0.242 62 I C 2.417 178.564 176.117 0.051 0.000 1.091 62 I CA 1.272 62.602 61.300 0.050 0.000 1.368 62 I CB -0.307 37.734 38.000 0.069 0.000 1.058 62 I HN 0.294 nan 8.210 nan 0.000 0.410 63 Q N 0.342 120.163 119.800 0.036 0.000 2.050 63 Q HA -0.280 4.085 4.340 0.042 0.000 0.202 63 Q C 2.172 178.190 176.000 0.030 0.000 0.980 63 Q CA 1.781 57.606 55.803 0.037 0.000 0.840 63 Q CB -0.233 28.521 28.738 0.026 0.000 0.898 63 Q HN 0.490 nan 8.270 nan 0.000 0.424 64 E N 0.649 120.851 120.200 0.004 0.000 2.049 64 E HA -0.235 4.141 4.350 0.042 0.000 0.198 64 E C 2.031 178.627 176.600 -0.006 0.000 1.007 64 E CA 1.280 57.669 56.400 -0.018 0.000 0.809 64 E CB -0.036 29.627 29.700 -0.062 0.000 0.749 64 E HN 0.335 nan 8.360 nan 0.000 0.450 65 M N 0.245 119.835 119.600 -0.018 0.000 2.108 65 M HA -0.180 4.325 4.480 0.042 0.000 0.261 65 M C 2.515 178.952 176.300 0.228 0.000 1.066 65 M CA 1.522 56.861 55.300 0.066 0.000 1.107 65 M CB -0.199 32.450 32.600 0.082 0.000 1.356 65 M HN -0.020 nan 8.290 nan 0.000 0.406 66 K N -0.163 120.321 120.400 0.140 0.000 2.148 66 K HA -0.072 4.273 4.320 0.042 0.000 0.204 66 K C 1.619 178.283 176.600 0.106 0.000 1.050 66 K CA 1.257 57.616 56.287 0.121 0.000 0.942 66 K CB 0.123 32.678 32.500 0.092 0.000 0.724 66 K HN 0.162 nan 8.250 nan 0.000 0.446 67 S N 0.458 116.215 115.700 0.096 0.000 2.562 67 S HA 0.044 4.539 4.470 0.042 0.000 0.221 67 S C 0.343 175.003 174.600 0.100 0.000 0.975 67 S CA 0.440 58.688 58.200 0.079 0.000 0.918 67 S CB -0.011 63.222 63.200 0.055 0.000 0.772 67 S HN 0.402 nan 8.310 nan 0.000 0.531 68 N N 0.402 119.199 118.700 0.161 0.000 2.351 68 N HA 0.350 5.115 4.740 0.042 0.000 0.254 68 N C 0.705 176.346 175.510 0.219 0.000 1.241 68 N CA -0.032 53.141 53.050 0.204 0.000 0.883 68 N CB 0.371 39.013 38.487 0.259 0.000 1.202 68 N HN 0.166 nan 8.380 nan 0.000 0.512 69 L N 0.447 121.749 121.223 0.132 0.000 2.131 69 L HA -0.090 4.275 4.340 0.042 0.000 0.210 69 L C 1.603 178.461 176.870 -0.020 0.000 1.092 69 L CA 1.090 55.939 54.840 0.016 0.000 0.759 69 L CB -0.035 42.017 42.059 -0.012 0.000 0.903 69 L HN 0.276 nan 8.230 nan 0.000 0.435 70 E N -0.970 119.247 120.200 0.028 0.000 2.452 70 E HA -0.026 4.349 4.350 0.042 0.000 0.197 70 E C 0.460 177.087 176.600 0.045 0.000 1.022 70 E CA 0.074 56.499 56.400 0.042 0.000 0.890 70 E CB -0.316 29.423 29.700 0.064 0.000 0.918 70 E HN 0.218 nan 8.360 nan 0.000 0.496 71 N N 1.678 120.409 118.700 0.052 0.000 3.103 71 N HA 0.054 4.819 4.740 0.042 0.000 0.305 71 N C -0.888 174.625 175.510 0.004 0.000 1.232 71 N CA 0.069 53.150 53.050 0.052 0.000 1.190 71 N CB -0.644 37.893 38.487 0.084 0.000 1.461 71 N HN 0.044 nan 8.380 nan 0.000 0.538 72 I N 0.406 120.922 120.570 -0.091 0.000 2.307 72 I HA 0.118 4.313 4.170 0.042 0.000 0.289 72 I C 0.210 176.074 176.117 -0.421 0.000 1.021 72 I CA -0.788 60.319 61.300 -0.323 0.000 1.224 72 I CB 0.942 38.581 38.000 -0.602 0.000 1.376 72 I HN 0.084 nan 8.210 nan 0.000 0.470 73 D N 6.604 126.839 120.400 -0.274 0.000 2.422 73 D HA 0.117 4.782 4.640 0.042 0.000 0.227 73 D C 0.722 176.883 176.300 -0.232 0.000 1.190 73 D CA -0.063 53.840 54.000 -0.162 0.000 0.905 73 D CB 0.430 41.182 40.800 -0.079 0.000 1.034 73 D HN 0.302 nan 8.370 nan 0.000 0.507 74 F N 2.445 122.375 119.950 -0.033 0.000 2.234 74 F HA -0.053 4.499 4.527 0.042 0.000 0.299 74 F C 2.462 178.217 175.800 -0.076 0.000 1.087 74 F CA 0.736 58.702 58.000 -0.057 0.000 1.340 74 F CB -0.121 38.885 39.000 0.010 0.000 1.031 74 F HN 0.322 nan 8.300 nan 0.000 0.500 75 K N 0.701 121.172 120.400 0.117 0.000 2.002 75 K HA -0.247 4.098 4.320 0.042 0.000 0.209 75 K C 2.253 178.836 176.600 -0.029 0.000 1.048 75 K CA 1.728 58.039 56.287 0.041 0.000 0.930 75 K CB -0.320 32.200 32.500 0.034 0.000 0.714 75 K HN 0.248 nan 8.250 nan 0.000 0.438 76 M N 0.421 119.977 119.600 -0.073 0.000 2.080 76 M HA -0.187 4.318 4.480 0.042 0.000 0.260 76 M C 2.064 178.267 176.300 -0.162 0.000 1.068 76 M CA 2.040 57.263 55.300 -0.128 0.000 1.109 76 M CB -0.217 32.279 32.600 -0.175 0.000 1.342 76 M HN 0.297 nan 8.290 nan 0.000 0.405 77 A N 0.251 122.930 122.820 -0.235 0.000 1.908 77 A HA -0.112 4.233 4.320 0.042 0.000 0.218 77 A C 2.306 179.756 177.584 -0.223 0.000 1.181 77 A CA 2.124 53.929 52.037 -0.387 0.000 0.627 77 A CB -1.246 17.318 19.000 -0.726 0.000 0.818 77 A HN 0.702 nan 8.150 nan 0.000 0.445 78 A N -0.393 122.364 122.820 -0.105 0.000 1.898 78 A HA -0.145 4.200 4.320 0.042 0.000 0.216 78 A C 1.934 179.499 177.584 -0.033 0.000 1.181 78 A CA 1.586 53.605 52.037 -0.031 0.000 0.620 78 A CB -0.518 18.493 19.000 0.017 0.000 0.819 78 A HN 0.629 nan 8.150 nan 0.000 0.442 79 E N -0.340 119.833 120.200 -0.045 0.000 2.077 79 E HA -0.174 4.201 4.350 0.042 0.000 0.193 79 E C 1.993 178.564 176.600 -0.048 0.000 0.989 79 E CA 1.109 57.485 56.400 -0.039 0.000 0.800 79 E CB -0.123 29.550 29.700 -0.044 0.000 0.746 79 E HN 0.524 nan 8.360 nan 0.000 0.452 80 E N 0.729 120.884 120.200 -0.075 0.000 2.077 80 E HA -0.223 4.152 4.350 0.042 0.000 0.193 80 E C 1.942 178.501 176.600 -0.068 0.000 0.989 80 E CA 0.911 57.259 56.400 -0.086 0.000 0.800 80 E CB -0.111 29.517 29.700 -0.119 0.000 0.746 80 E HN 0.365 nan 8.360 nan 0.000 0.452 81 E N 0.945 121.117 120.200 -0.045 0.000 2.106 81 E HA -0.141 4.234 4.350 0.042 0.000 0.192 81 E C 1.973 178.581 176.600 0.013 0.000 0.984 81 E CA 0.730 57.133 56.400 0.006 0.000 0.806 81 E CB 0.154 29.875 29.700 0.036 0.000 0.750 81 E HN 0.053 nan 8.360 nan 0.000 0.458 82 K N 0.261 120.662 120.400 0.003 0.000 2.097 82 K HA -0.181 4.164 4.320 0.042 0.000 0.206 82 K C 2.344 178.946 176.600 0.002 0.000 1.049 82 K CA 1.202 57.493 56.287 0.007 0.000 0.933 82 K CB -0.054 32.448 32.500 0.003 0.000 0.717 82 K HN 0.011 nan 8.250 nan 0.000 0.442 83 R N 0.671 121.164 120.500 -0.011 0.000 2.061 83 R HA -0.049 4.317 4.340 0.042 0.000 0.230 83 R C 2.125 178.418 176.300 -0.011 0.000 1.140 83 R CA 1.214 57.306 56.100 -0.014 0.000 0.940 83 R CB -0.089 30.194 30.300 -0.027 0.000 0.839 83 R HN 0.107 nan 8.270 nan 0.000 0.429 84 L N 0.312 121.522 121.223 -0.023 0.000 2.418 84 L HA 0.121 4.486 4.340 0.042 0.000 0.218 84 L C 0.490 177.392 176.870 0.054 0.000 1.125 84 L CA 0.226 55.060 54.840 -0.010 0.000 0.835 84 L CB -0.028 41.991 42.059 -0.068 0.000 0.953 84 L HN 0.244 nan 8.230 nan 0.000 0.454 85 R N -0.060 120.471 120.500 0.053 0.000 3.516 85 R HA -0.221 4.144 4.340 0.042 0.000 0.271 85 R C -0.231 176.133 176.300 0.105 0.000 1.098 85 R CA 0.538 56.676 56.100 0.064 0.000 0.732 85 R CB -2.552 27.776 30.300 0.046 0.000 1.152 85 R HN 0.413 nan 8.270 nan 0.000 0.455 86 H N 0.404 119.491 119.070 0.030 0.000 3.018 86 H HA 0.061 4.645 4.556 0.047 0.000 0.334 86 H C 0.587 175.975 175.328 0.100 0.000 0.983 86 H CA -0.367 55.715 56.048 0.057 0.000 1.363 86 H CB 1.193 30.974 29.762 0.031 0.000 1.668 86 H HN 0.135 nan 8.280 nan 0.000 0.513 87 D N 3.644 124.171 120.400 0.211 0.000 2.103 87 D HA -0.123 4.542 4.640 0.042 0.000 0.199 87 D C 1.647 178.305 176.300 0.597 0.000 0.978 87 D CA 0.745 54.971 54.000 0.377 0.000 0.829 87 D CB -0.232 40.800 40.800 0.386 0.000 0.981 87 D HN 0.273 nan 8.370 nan 0.000 0.464 88 V N 0.777 121.032 119.914 0.567 0.000 2.295 88 V HA -0.221 3.924 4.120 0.042 0.000 0.246 88 V C 2.652 178.971 176.094 0.374 0.000 1.049 88 V CA 1.623 64.173 62.300 0.417 0.000 1.024 88 V CB -0.508 31.373 31.823 0.097 0.000 0.648 88 V HN 0.160 nan 8.190 nan 0.000 0.447 89 M N -0.116 119.640 119.600 0.260 0.000 2.213 89 M HA -0.080 4.426 4.480 0.042 0.000 0.263 89 M C 2.412 178.700 176.300 -0.018 0.000 1.062 89 M CA 1.944 57.245 55.300 0.002 0.000 1.105 89 M CB -1.589 30.848 32.600 -0.272 0.000 1.385 89 M HN 0.411 nan 8.290 nan 0.000 0.417 90 A N -0.431 122.425 122.820 0.060 0.000 1.908 90 A HA -0.207 4.138 4.320 0.042 0.000 0.218 90 A C 2.069 179.646 177.584 -0.013 0.000 1.181 90 A CA 1.626 53.643 52.037 -0.033 0.000 0.627 90 A CB -1.019 17.978 19.000 -0.004 0.000 0.818 90 A HN 0.520 nan 8.150 nan 0.000 0.445 91 H N -1.214 117.958 119.070 0.169 0.000 2.470 91 H HA 0.005 4.584 4.556 0.038 0.000 0.289 91 H C 2.287 177.730 175.328 0.192 0.000 1.033 91 H CA 1.374 57.556 56.048 0.223 0.000 1.331 91 H CB -0.001 30.046 29.762 0.475 0.000 1.414 91 H HN 0.311 nan 8.280 nan 0.000 0.545 92 V N 0.834 120.864 119.914 0.193 0.000 2.287 92 V HA -0.279 3.866 4.120 0.042 0.000 0.248 92 V C 2.197 178.318 176.094 0.046 0.000 1.053 92 V CA 1.934 64.162 62.300 -0.121 0.000 1.027 92 V CB -0.549 31.213 31.823 -0.101 0.000 0.646 92 V HN 0.422 nan 8.190 nan 0.000 0.447 93 H N 0.079 119.116 119.070 -0.054 0.000 2.353 93 H HA -0.116 4.467 4.556 0.044 0.000 0.300 93 H C 2.482 177.803 175.328 -0.012 0.000 1.090 93 H CA 2.040 58.063 56.048 -0.042 0.000 1.327 93 H CB -0.785 28.952 29.762 -0.042 0.000 1.383 93 H HN 0.362 nan 8.280 nan 0.000 0.508 94 T N 0.601 115.219 114.554 0.107 0.000 2.777 94 T HA -0.125 4.250 4.350 0.042 0.000 0.266 94 T C 1.747 176.546 174.700 0.164 0.000 1.040 94 T CA 0.941 63.069 62.100 0.047 0.000 1.141 94 T CB -0.389 68.405 68.868 -0.122 0.000 0.868 94 T HN 0.168 nan 8.240 nan 0.000 0.444 95 F N 2.193 122.135 119.950 -0.013 0.000 2.171 95 F HA 0.117 4.671 4.527 0.044 0.000 0.300 95 F C 2.367 178.136 175.800 -0.050 0.000 1.090 95 F CA 0.702 58.692 58.000 -0.016 0.000 1.293 95 F CB -0.981 37.990 39.000 -0.048 0.000 1.013 95 F HN 0.183 nan 8.300 nan 0.000 0.486 96 G N -1.524 107.234 108.800 -0.070 0.000 2.484 96 G HA2 -0.241 3.744 3.960 0.042 0.000 0.218 96 G HA3 -0.241 3.744 3.960 0.042 0.000 0.218 96 G C 1.798 176.636 174.900 -0.103 0.000 1.130 96 G CA 0.722 45.710 45.100 -0.187 0.000 0.784 96 G HN 0.483 nan 8.290 nan 0.000 0.543 97 H N 0.563 119.579 119.070 -0.090 0.000 2.333 97 H HA -0.121 4.461 4.556 0.043 0.000 0.302 97 H C 2.521 177.815 175.328 -0.057 0.000 1.075 97 H CA 1.770 57.779 56.048 -0.066 0.000 1.348 97 H CB -0.176 29.565 29.762 -0.034 0.000 1.393 97 H HN 0.411 nan 8.280 nan 0.000 0.509 98 C N -0.046 119.280 119.300 0.042 0.000 2.562 98 C HA 0.300 4.785 4.460 0.042 0.000 0.266 98 C C 1.234 176.175 174.990 -0.082 0.000 1.382 98 C CA -0.620 58.396 59.018 -0.003 0.000 1.742 98 C CB -1.475 26.327 27.740 0.104 0.000 1.812 98 C HN 0.479 nan 8.230 nan 0.000 0.559 99 C N 2.337 121.535 119.300 -0.170 0.000 3.075 99 C HA 0.354 4.840 4.460 0.042 0.000 0.262 99 C C -0.695 174.155 174.990 -0.233 0.000 1.371 99 C CA -0.789 58.079 59.018 -0.249 0.000 1.594 99 C CB -0.181 27.267 27.740 -0.485 0.000 1.849 99 C HN 0.497 nan 8.230 nan 0.000 0.475 100 P HA -0.146 nan 4.420 nan 0.000 0.218 100 P C 1.378 178.589 177.300 -0.149 0.000 1.149 100 P CA 1.527 64.522 63.100 -0.174 0.000 0.817 100 P CB 0.275 31.875 31.700 -0.166 0.000 0.785 101 K N 0.134 120.453 120.400 -0.135 0.000 2.103 101 K HA 0.051 4.396 4.320 0.042 0.000 0.204 101 K C 2.112 178.639 176.600 -0.122 0.000 1.052 101 K CA 1.392 57.613 56.287 -0.110 0.000 0.945 101 K CB -0.882 31.565 32.500 -0.087 0.000 0.722 101 K HN 0.110 nan 8.250 nan 0.000 0.443 102 A N 0.935 123.659 122.820 -0.160 0.000 2.238 102 A HA 0.287 4.633 4.320 0.042 0.000 0.210 102 A C 2.207 179.666 177.584 -0.207 0.000 1.179 102 A CA 0.922 52.855 52.037 -0.173 0.000 0.827 102 A CB -0.217 18.660 19.000 -0.205 0.000 0.856 102 A HN 0.196 nan 8.150 nan 0.000 0.488 103 A N 0.170 122.858 122.820 -0.220 0.000 1.940 103 A HA -0.093 4.252 4.320 0.042 0.000 0.221 103 A C 2.299 179.769 177.584 -0.190 0.000 1.190 103 A CA 2.132 54.033 52.037 -0.227 0.000 0.647 103 A CB -1.313 17.568 19.000 -0.198 0.000 0.821 103 A HN 0.808 nan 8.150 nan 0.000 0.457 104 G N -0.107 108.603 108.800 -0.149 0.000 2.471 104 G HA2 0.018 4.004 3.960 0.042 0.000 0.219 104 G HA3 0.018 4.004 3.960 0.042 0.000 0.219 104 G C 1.309 176.144 174.900 -0.108 0.000 1.125 104 G CA 1.134 46.161 45.100 -0.122 0.000 0.775 104 G HN 0.956 nan 8.290 nan 0.000 0.548 105 I N -2.226 118.280 120.570 -0.107 0.000 4.057 105 I HA 0.432 4.627 4.170 0.042 0.000 0.334 105 I C 0.500 176.576 176.117 -0.067 0.000 1.308 105 I CA -0.600 60.654 61.300 -0.077 0.000 1.125 105 I CB 0.280 38.249 38.000 -0.051 0.000 1.034 105 I HN -0.184 nan 8.210 nan 0.000 0.401 106 I N 3.241 123.734 120.570 -0.129 0.000 2.618 106 I HA -0.038 4.157 4.170 0.042 0.000 0.284 106 I C 1.048 177.108 176.117 -0.094 0.000 1.146 106 I CA 0.610 61.804 61.300 -0.177 0.000 1.425 106 I CB -0.196 37.583 38.000 -0.369 0.000 1.383 106 I HN 0.465 nan 8.210 nan 0.000 0.562 107 H N 3.367 122.357 119.070 -0.134 0.000 2.992 107 H HA -0.169 4.413 4.556 0.043 0.000 0.266 107 H C -0.294 175.057 175.328 0.038 0.000 1.200 107 H CA -0.287 55.815 56.048 0.090 0.000 1.135 107 H CB -0.378 29.404 29.762 0.034 0.000 1.282 107 H HN 0.418 nan 8.280 nan 0.000 0.351 108 L N 1.010 122.226 121.223 -0.011 0.000 2.433 108 L HA 0.300 4.665 4.340 0.042 0.000 0.275 108 L C 1.384 178.119 176.870 -0.225 0.000 1.128 108 L CA 1.902 56.671 54.840 -0.118 0.000 0.875 108 L CB 0.364 42.378 42.059 -0.075 0.000 1.171 108 L HN 0.459 nan 8.230 nan 0.000 0.463 109 G N 2.973 111.511 108.800 -0.436 0.000 2.217 109 G HA2 -0.196 3.789 3.960 0.042 0.000 0.246 109 G HA3 -0.196 3.789 3.960 0.042 0.000 0.246 109 G C 0.387 174.662 174.900 -1.041 0.000 0.990 109 G CA 0.160 44.715 45.100 -0.908 0.000 0.627 109 G HN 1.186 nan 8.290 nan 0.000 0.522 110 A N -0.316 122.147 122.820 -0.596 0.000 2.279 110 A HA 0.838 5.183 4.320 0.042 0.000 0.303 110 A C 0.489 177.837 177.584 -0.393 0.000 1.108 110 A CA 1.038 52.854 52.037 -0.368 0.000 0.830 110 A CB 1.086 19.907 19.000 -0.298 0.000 1.106 110 A HN 1.034 nan 8.150 nan 0.000 0.493 111 T N -0.587 113.950 114.554 -0.030 0.000 2.936 111 T HA 0.359 4.735 4.350 0.042 0.000 0.282 111 T C 1.530 176.437 174.700 0.344 0.000 1.003 111 T CA 0.189 62.356 62.100 0.112 0.000 1.005 111 T CB 0.967 69.892 68.868 0.095 0.000 1.097 111 T HN 0.566 nan 8.240 nan 0.000 0.532 112 S N 0.724 116.616 115.700 0.319 0.000 2.370 112 S HA -0.133 4.363 4.470 0.042 0.000 0.226 112 S C 2.232 176.875 174.600 0.072 0.000 1.033 112 S CA 1.331 59.679 58.200 0.246 0.000 1.011 112 S CB -0.559 62.785 63.200 0.241 0.000 0.852 112 S HN 0.816 nan 8.310 nan 0.000 0.457 113 C N 0.732 120.071 119.300 0.065 0.000 2.430 113 C HA -0.022 4.463 4.460 0.042 0.000 0.288 113 C C 2.211 177.177 174.990 -0.039 0.000 1.448 113 C CA -0.037 58.967 59.018 -0.022 0.000 1.784 113 C CB -1.786 25.944 27.740 -0.016 0.000 1.776 113 C HN 0.696 nan 8.230 nan 0.000 0.547 114 Y N 2.359 122.650 120.300 -0.015 0.000 2.151 114 Y HA -0.223 4.353 4.550 0.043 0.000 0.284 114 Y C 2.322 178.114 175.900 -0.180 0.000 1.166 114 Y CA 2.432 60.516 58.100 -0.026 0.000 1.163 114 Y CB -0.299 38.239 38.460 0.129 0.000 0.974 114 Y HN 0.292 nan 8.280 nan 0.000 0.511 115 V N -2.341 117.241 119.914 -0.554 0.000 2.575 115 V HA 0.223 4.368 4.120 0.042 0.000 0.242 115 V C 2.339 177.958 176.094 -0.792 0.000 1.045 115 V CA 1.305 63.019 62.300 -0.977 0.000 1.065 115 V CB -1.373 29.498 31.823 -1.586 0.000 0.717 115 V HN 0.349 nan 8.190 nan 0.000 0.467 116 G N 0.302 108.732 108.800 -0.617 0.000 2.433 116 G HA2 -0.238 3.747 3.960 0.042 0.000 0.216 116 G HA3 -0.238 3.747 3.960 0.042 0.000 0.216 116 G C 1.191 176.060 174.900 -0.051 0.000 1.186 116 G CA 1.313 46.281 45.100 -0.221 0.000 0.779 116 G HN 0.516 nan 8.290 nan 0.000 0.543 117 D N 0.134 120.478 120.400 -0.092 0.000 2.137 117 D HA -0.026 4.640 4.640 0.042 0.000 0.202 117 D C 2.429 178.717 176.300 -0.021 0.000 0.970 117 D CA 0.411 54.426 54.000 0.026 0.000 0.837 117 D CB -0.118 40.690 40.800 0.013 0.000 0.981 117 D HN 0.091 nan 8.370 nan 0.000 0.475 118 N N -0.305 118.242 118.700 -0.256 0.000 2.244 118 N HA -0.077 4.688 4.740 0.042 0.000 0.183 118 N C 1.627 177.069 175.510 -0.113 0.000 1.016 118 N CA 0.928 53.730 53.050 -0.413 0.000 0.866 118 N CB -0.234 37.836 38.487 -0.694 0.000 0.980 118 N HN 0.160 nan 8.380 nan 0.000 0.430 119 T N 1.427 115.945 114.554 -0.060 0.000 2.777 119 T HA -0.083 4.292 4.350 0.042 0.000 0.266 119 T C 1.135 175.882 174.700 0.078 0.000 1.040 119 T CA 0.997 63.131 62.100 0.056 0.000 1.141 119 T CB -0.194 68.773 68.868 0.165 0.000 0.868 119 T HN 0.167 nan 8.240 nan 0.000 0.444 120 D N 1.135 121.592 120.400 0.095 0.000 2.149 120 D HA -0.020 4.645 4.640 0.042 0.000 0.198 120 D C 2.066 178.419 176.300 0.090 0.000 0.990 120 D CA 0.755 54.827 54.000 0.120 0.000 0.839 120 D CB -0.313 40.618 40.800 0.220 0.000 0.948 120 D HN 0.322 nan 8.370 nan 0.000 0.460 121 L N 0.180 121.433 121.223 0.049 0.000 2.109 121 L HA -0.060 4.306 4.340 0.042 0.000 0.207 121 L C 2.455 179.464 176.870 0.232 0.000 1.086 121 L CA 0.503 55.358 54.840 0.025 0.000 0.760 121 L CB -0.153 41.809 42.059 -0.163 0.000 0.910 121 L HN -0.006 nan 8.230 nan 0.000 0.437 122 I N -0.304 120.422 120.570 0.259 0.000 2.252 122 I HA -0.301 3.894 4.170 0.042 0.000 0.245 122 I C 2.376 178.577 176.117 0.141 0.000 1.102 122 I CA 1.397 62.894 61.300 0.328 0.000 1.385 122 I CB -0.134 38.062 38.000 0.327 0.000 1.064 122 I HN 0.162 nan 8.210 nan 0.000 0.414 123 I N 0.416 121.007 120.570 0.034 0.000 2.179 123 I HA -0.314 3.881 4.170 0.042 0.000 0.242 123 I C 2.472 178.385 176.117 -0.340 0.000 1.088 123 I CA 1.512 62.675 61.300 -0.229 0.000 1.357 123 I CB -0.273 37.510 38.000 -0.362 0.000 1.051 123 I HN 0.192 nan 8.210 nan 0.000 0.409 124 L N 0.117 121.235 121.223 -0.175 0.000 2.012 124 L HA -0.262 4.103 4.340 0.042 0.000 0.210 124 L C 2.798 179.566 176.870 -0.171 0.000 1.073 124 L CA 1.550 56.273 54.840 -0.196 0.000 0.748 124 L CB -0.599 41.483 42.059 0.038 0.000 0.891 124 L HN 0.221 nan 8.230 nan 0.000 0.431 125 R N -0.007 120.477 120.500 -0.026 0.000 2.092 125 R HA -0.141 4.224 4.340 0.042 0.000 0.231 125 R C 2.100 178.359 176.300 -0.068 0.000 1.119 125 R CA 1.464 57.553 56.100 -0.019 0.000 0.970 125 R CB -0.037 30.249 30.300 -0.022 0.000 0.864 125 R HN 0.380 nan 8.270 nan 0.000 0.440 126 N N 0.507 119.150 118.700 -0.095 0.000 2.188 126 N HA -0.110 4.655 4.740 0.042 0.000 0.184 126 N C 1.483 176.899 175.510 -0.158 0.000 1.018 126 N CA 1.399 54.387 53.050 -0.104 0.000 0.858 126 N CB -0.306 38.129 38.487 -0.086 0.000 0.989 126 N HN 0.275 nan 8.380 nan 0.000 0.426 127 A N 1.015 123.649 122.820 -0.310 0.000 1.898 127 A HA -0.031 4.315 4.320 0.042 0.000 0.216 127 A C 2.334 179.891 177.584 -0.045 0.000 1.181 127 A CA 0.851 52.688 52.037 -0.333 0.000 0.620 127 A CB -0.748 17.690 19.000 -0.938 0.000 0.819 127 A HN 0.208 nan 8.150 nan 0.000 0.442 128 L N -0.408 120.819 121.223 0.007 0.000 2.042 128 L HA -0.210 4.155 4.340 0.042 0.000 0.210 128 L C 1.910 178.856 176.870 0.127 0.000 1.076 128 L CA 1.476 56.444 54.840 0.215 0.000 0.749 128 L CB -0.587 41.586 42.059 0.189 0.000 0.893 128 L HN 0.299 nan 8.230 nan 0.000 0.432 129 D N -0.242 120.194 120.400 0.060 0.000 2.264 129 D HA -0.121 4.544 4.640 0.042 0.000 0.208 129 D C 2.320 178.666 176.300 0.077 0.000 0.966 129 D CA 0.968 55.006 54.000 0.064 0.000 0.864 129 D CB 0.024 40.839 40.800 0.024 0.000 0.933 129 D HN 0.300 nan 8.370 nan 0.000 0.499 130 L N -0.152 121.111 121.223 0.066 0.000 2.131 130 L HA -0.024 4.341 4.340 0.042 0.000 0.206 130 L C 2.393 179.315 176.870 0.087 0.000 1.087 130 L CA 0.433 55.316 54.840 0.072 0.000 0.767 130 L CB -0.178 41.918 42.059 0.063 0.000 0.917 130 L HN 0.032 nan 8.230 nan 0.000 0.441 131 L N -0.512 120.783 121.223 0.121 0.000 2.056 131 L HA -0.218 4.147 4.340 0.042 0.000 0.207 131 L C 2.525 179.413 176.870 0.029 0.000 1.078 131 L CA 1.087 55.984 54.840 0.096 0.000 0.749 131 L CB -0.449 41.696 42.059 0.144 0.000 0.901 131 L HN 0.250 nan 8.230 nan 0.000 0.433 132 L N 0.093 121.340 121.223 0.040 0.000 1.990 132 L HA -0.178 4.187 4.340 0.042 0.000 0.213 132 L C -0.146 176.568 176.870 -0.258 0.000 1.072 132 L CA 1.716 56.527 54.840 -0.049 0.000 0.755 132 L CB -1.828 40.296 42.059 0.109 0.000 0.889 132 L HN 0.246 nan 8.230 nan 0.000 0.432 133 P HA -0.147 nan 4.420 nan 0.000 0.221 133 P C 1.134 178.371 177.300 -0.105 0.000 1.150 133 P CA 1.383 64.414 63.100 -0.115 0.000 0.800 133 P CB 0.010 31.788 31.700 0.131 0.000 0.787 134 K N -0.599 119.766 120.400 -0.058 0.000 2.031 134 K HA -0.088 4.257 4.320 0.042 0.000 0.205 134 K C 2.146 178.704 176.600 -0.070 0.000 1.049 134 K CA 0.796 57.059 56.287 -0.040 0.000 0.939 134 K CB -0.789 31.706 32.500 -0.008 0.000 0.717 134 K HN 0.040 nan 8.250 nan 0.000 0.438 135 L N 1.478 122.643 121.223 -0.096 0.000 2.017 135 L HA -0.135 4.230 4.340 0.042 0.000 0.208 135 L C 2.232 179.019 176.870 -0.139 0.000 1.073 135 L CA 1.877 56.656 54.840 -0.103 0.000 0.745 135 L CB -0.816 41.184 42.059 -0.099 0.000 0.894 135 L HN 0.141 nan 8.230 nan 0.000 0.432 136 A N -0.589 122.071 122.820 -0.266 0.000 1.940 136 A HA -0.235 4.110 4.320 0.042 0.000 0.219 136 A C 2.452 179.969 177.584 -0.113 0.000 1.176 136 A CA 1.866 53.731 52.037 -0.288 0.000 0.631 136 A CB -0.558 18.034 19.000 -0.680 0.000 0.814 136 A HN 0.521 nan 8.150 nan 0.000 0.446 137 R N -0.858 119.592 120.500 -0.083 0.000 2.075 137 R HA -0.051 4.314 4.340 0.042 0.000 0.232 137 R C 2.070 178.364 176.300 -0.009 0.000 1.126 137 R CA 1.364 57.451 56.100 -0.022 0.000 0.963 137 R CB -0.504 29.789 30.300 -0.012 0.000 0.858 137 R HN 0.409 nan 8.270 nan 0.000 0.435 138 V N 1.497 121.397 119.914 -0.024 0.000 2.343 138 V HA -0.252 3.893 4.120 0.042 0.000 0.247 138 V C 2.246 178.351 176.094 0.017 0.000 1.051 138 V CA 1.725 64.017 62.300 -0.013 0.000 1.036 138 V CB -0.377 31.428 31.823 -0.031 0.000 0.654 138 V HN 0.275 nan 8.190 nan 0.000 0.451 139 I N -0.046 120.534 120.570 0.016 0.000 2.226 139 I HA -0.230 3.965 4.170 0.042 0.000 0.245 139 I C 2.713 178.880 176.117 0.083 0.000 1.100 139 I CA 1.781 63.113 61.300 0.053 0.000 1.374 139 I CB -0.442 37.576 38.000 0.030 0.000 1.057 139 I HN 0.335 nan 8.210 nan 0.000 0.413 140 S N 0.725 116.467 115.700 0.070 0.000 2.368 140 S HA -0.158 4.338 4.470 0.042 0.000 0.225 140 S C 2.277 176.942 174.600 0.108 0.000 1.030 140 S CA 1.140 59.400 58.200 0.100 0.000 0.999 140 S CB -0.105 63.139 63.200 0.074 0.000 0.844 140 S HN 0.260 nan 8.310 nan 0.000 0.459 141 R N 0.815 121.364 120.500 0.083 0.000 2.092 141 R HA 0.096 4.462 4.340 0.042 0.000 0.231 141 R C 2.322 178.704 176.300 0.136 0.000 1.119 141 R CA 0.984 57.136 56.100 0.087 0.000 0.970 141 R CB -1.189 29.137 30.300 0.044 0.000 0.864 141 R HN 0.466 nan 8.270 nan 0.000 0.440 142 L N 0.174 121.482 121.223 0.142 0.000 2.109 142 L HA -0.026 4.339 4.340 0.042 0.000 0.207 142 L C 2.593 179.624 176.870 0.269 0.000 1.086 142 L CA 1.050 56.021 54.840 0.219 0.000 0.760 142 L CB -0.600 41.587 42.059 0.212 0.000 0.910 142 L HN 0.113 nan 8.230 nan 0.000 0.437 143 A N 0.044 122.990 122.820 0.209 0.000 1.933 143 A HA -0.219 4.126 4.320 0.042 0.000 0.218 143 A C 1.857 179.565 177.584 0.206 0.000 1.175 143 A CA 1.924 54.080 52.037 0.198 0.000 0.628 143 A CB -0.441 18.678 19.000 0.198 0.000 0.814 143 A HN 0.336 nan 8.150 nan 0.000 0.444 144 D N -1.031 119.489 120.400 0.200 0.000 2.097 144 D HA -0.123 4.542 4.640 0.042 0.000 0.195 144 D C 1.591 177.995 176.300 0.172 0.000 0.989 144 D CA 1.207 55.306 54.000 0.166 0.000 0.827 144 D CB -0.505 40.377 40.800 0.137 0.000 0.966 144 D HN 0.463 nan 8.370 nan 0.000 0.456 145 F N 1.671 121.661 119.950 0.067 0.000 2.095 145 F HA -0.179 4.373 4.527 0.043 0.000 0.298 145 F C 2.216 178.043 175.800 0.045 0.000 1.104 145 F CA 1.692 59.725 58.000 0.055 0.000 1.232 145 F CB -0.366 38.678 39.000 0.072 0.000 0.987 145 F HN -0.052 nan 8.300 nan 0.000 0.475 146 A N 0.289 123.193 122.820 0.139 0.000 1.865 146 A HA -0.273 4.072 4.320 0.042 0.000 0.217 146 A C 2.349 179.901 177.584 -0.055 0.000 1.191 146 A CA 2.049 54.093 52.037 0.012 0.000 0.623 146 A CB -1.005 18.061 19.000 0.111 0.000 0.826 146 A HN 0.467 nan 8.150 nan 0.000 0.444 147 K N -0.479 119.930 120.400 0.015 0.000 2.063 147 K HA -0.211 4.134 4.320 0.042 0.000 0.208 147 K C 2.113 178.689 176.600 -0.041 0.000 1.048 147 K CA 1.703 57.999 56.287 0.014 0.000 0.928 147 K CB -0.177 32.374 32.500 0.084 0.000 0.713 147 K HN 0.635 nan 8.250 nan 0.000 0.442 148 E N 0.100 120.254 120.200 -0.077 0.000 2.106 148 E HA -0.149 4.226 4.350 0.042 0.000 0.192 148 E C 1.018 177.512 176.600 -0.178 0.000 0.984 148 E CA 0.817 57.151 56.400 -0.110 0.000 0.806 148 E CB 0.303 29.938 29.700 -0.109 0.000 0.750 148 E HN 0.156 nan 8.360 nan 0.000 0.458 149 R N -0.487 119.837 120.500 -0.294 0.000 2.466 149 R HA 0.245 4.610 4.340 0.042 0.000 0.279 149 R C 1.366 177.545 176.300 -0.201 0.000 0.976 149 R CA 0.487 56.402 56.100 -0.309 0.000 1.081 149 R CB 0.347 30.308 30.300 -0.566 0.000 1.215 149 R HN 0.096 nan 8.270 nan 0.000 0.546 150 A N 0.588 123.325 122.820 -0.139 0.000 1.978 150 A HA -0.093 4.252 4.320 0.042 0.000 0.220 150 A C 1.619 179.155 177.584 -0.079 0.000 1.170 150 A CA 1.563 53.543 52.037 -0.095 0.000 0.636 150 A CB 0.030 18.997 19.000 -0.055 0.000 0.810 150 A HN 0.174 nan 8.150 nan 0.000 0.448 151 S N -1.204 114.451 115.700 -0.073 0.000 2.568 151 S HA 0.267 4.762 4.470 0.042 0.000 0.232 151 S C 0.012 174.577 174.600 -0.057 0.000 0.975 151 S CA -0.520 57.646 58.200 -0.056 0.000 0.949 151 S CB -0.036 63.139 63.200 -0.042 0.000 0.829 151 S HN 0.374 nan 8.310 nan 0.000 0.479 152 L N 4.383 125.561 121.223 -0.076 0.000 2.342 152 L HA 0.396 4.761 4.340 0.042 0.000 0.285 152 L C -2.881 173.956 176.870 -0.055 0.000 1.095 152 L CA -2.211 52.590 54.840 -0.065 0.000 0.843 152 L CB -0.067 41.941 42.059 -0.085 0.000 1.201 152 L HN -0.145 nan 8.230 nan 0.000 0.445 153 P HA 0.199 nan 4.420 nan 0.000 0.271 153 P C -0.861 176.413 177.300 -0.043 0.000 1.216 153 P CA -0.061 63.017 63.100 -0.037 0.000 0.771 153 P CB 0.869 32.556 31.700 -0.021 0.000 0.864 154 T N 2.789 117.306 114.554 -0.061 0.000 2.916 154 T HA 0.385 4.760 4.350 0.042 0.000 0.305 154 T C -0.977 173.639 174.700 -0.139 0.000 1.119 154 T CA -0.728 61.328 62.100 -0.074 0.000 1.008 154 T CB 0.478 69.317 68.868 -0.048 0.000 1.129 154 T HN 0.116 nan 8.240 nan 0.000 0.480 155 L N 3.965 125.067 121.223 -0.201 0.000 2.513 155 L HA 0.523 4.888 4.340 0.042 0.000 0.272 155 L C 0.936 177.474 176.870 -0.553 0.000 1.187 155 L CA 0.666 55.287 54.840 -0.364 0.000 0.895 155 L CB 0.032 41.828 42.059 -0.439 0.000 1.147 155 L HN 0.762 nan 8.230 nan 0.000 0.483 156 G N 3.981 112.535 108.800 -0.410 0.000 2.476 156 G HA2 0.444 4.429 3.960 0.042 0.000 0.269 156 G HA3 0.444 4.429 3.960 0.042 0.000 0.269 156 G C -1.221 173.434 174.900 -0.408 0.000 1.195 156 G CA -0.378 44.534 45.100 -0.313 0.000 0.843 156 G HN 0.422 nan 8.290 nan 0.000 0.545 157 F N 0.223 120.238 119.950 0.108 0.000 2.536 157 F HA 0.519 5.071 4.527 0.042 0.000 0.322 157 F C 0.505 176.390 175.800 0.141 0.000 1.144 157 F CA -0.892 57.210 58.000 0.171 0.000 0.924 157 F CB 2.497 41.690 39.000 0.322 0.000 1.181 157 F HN 0.575 nan 8.300 nan 0.000 0.438 158 T N -0.913 113.849 114.554 0.346 0.000 2.861 158 T HA 0.377 4.752 4.350 0.042 0.000 0.287 158 T C -0.168 174.730 174.700 0.329 0.000 1.003 158 T CA -0.526 61.715 62.100 0.236 0.000 0.977 158 T CB 1.341 70.309 68.868 0.166 0.000 0.996 158 T HN 0.812 nan 8.240 nan 0.000 0.448 159 H N 0.873 120.032 119.070 0.148 0.000 3.047 159 H HA -0.185 4.396 4.556 0.042 0.000 0.263 159 H C 0.281 175.730 175.328 0.202 0.000 1.168 159 H CA 0.974 57.100 56.048 0.131 0.000 1.152 159 H CB -1.259 28.555 29.762 0.087 0.000 1.278 159 H HN 0.867 nan 8.280 nan 0.000 0.339 160 F N 0.260 120.273 119.950 0.104 0.000 3.048 160 F HA -0.275 4.278 4.527 0.042 0.000 0.269 160 F C -0.100 175.709 175.800 0.015 0.000 0.960 160 F CA 1.135 59.114 58.000 -0.035 0.000 0.909 160 F CB -0.786 38.125 39.000 -0.148 0.000 0.837 160 F HN 0.338 nan 8.300 nan 0.000 0.768 161 Q N 0.300 120.266 119.800 0.277 0.000 2.413 161 Q HA 0.500 4.865 4.340 0.042 0.000 0.276 161 Q C -2.358 173.851 176.000 0.347 0.000 1.099 161 Q CA -2.024 53.892 55.803 0.187 0.000 0.814 161 Q CB 1.662 30.460 28.738 0.100 0.000 1.379 161 Q HN -0.064 nan 8.270 nan 0.000 0.436 162 P HA 0.058 nan 4.420 nan 0.000 0.261 162 P C -1.248 176.097 177.300 0.075 0.000 1.173 162 P CA 0.640 63.815 63.100 0.126 0.000 0.760 162 P CB 0.420 32.160 31.700 0.067 0.000 0.783 163 A N 2.902 125.726 122.820 0.005 0.000 2.583 163 A HA 0.412 4.757 4.320 0.042 0.000 0.289 163 A C -0.851 176.717 177.584 -0.027 0.000 1.151 163 A CA -0.718 51.331 52.037 0.021 0.000 0.695 163 A CB 0.874 19.915 19.000 0.069 0.000 1.290 163 A HN 0.451 nan 8.150 nan 0.000 0.419 164 Q N 0.695 120.498 119.800 0.006 0.000 2.304 164 Q HA 0.106 4.471 4.340 0.042 0.000 0.301 164 Q C -0.536 175.452 176.000 -0.020 0.000 1.063 164 Q CA 0.436 56.247 55.803 0.014 0.000 0.947 164 Q CB 0.155 28.918 28.738 0.041 0.000 1.201 164 Q HN 0.538 nan 8.270 nan 0.000 0.389 165 L N 2.067 123.284 121.223 -0.011 0.000 2.499 165 L HA 0.020 4.385 4.340 0.042 0.000 0.273 165 L C 0.941 177.789 176.870 -0.037 0.000 1.195 165 L CA 0.309 55.124 54.840 -0.042 0.000 0.882 165 L CB 0.098 42.151 42.059 -0.009 0.000 1.133 165 L HN 0.667 nan 8.230 nan 0.000 0.483 166 T N 1.441 115.951 114.554 -0.073 0.000 2.864 166 T HA 0.577 4.952 4.350 0.042 0.000 0.276 166 T C -0.041 174.614 174.700 -0.076 0.000 1.006 166 T CA -0.148 61.908 62.100 -0.074 0.000 0.970 166 T CB 1.573 70.385 68.868 -0.093 0.000 1.420 166 T HN 0.801 nan 8.240 nan 0.000 0.601 167 T N -1.120 113.381 114.554 -0.089 0.000 2.924 167 T HA 0.501 4.876 4.350 0.042 0.000 0.291 167 T C 1.291 175.922 174.700 -0.114 0.000 1.045 167 T CA -0.629 61.417 62.100 -0.090 0.000 1.015 167 T CB 1.106 69.923 68.868 -0.085 0.000 1.103 167 T HN 0.228 nan 8.240 nan 0.000 0.496 168 V N 1.738 121.589 119.914 -0.105 0.000 2.392 168 V HA -0.040 4.106 4.120 0.042 0.000 0.249 168 V C 2.789 178.789 176.094 -0.156 0.000 1.059 168 V CA 2.555 64.793 62.300 -0.103 0.000 1.051 168 V CB -1.349 30.421 31.823 -0.088 0.000 0.658 168 V HN 1.105 nan 8.190 nan 0.000 0.455 169 G N -0.271 108.419 108.800 -0.183 0.000 2.403 169 G HA2 -0.261 3.724 3.960 0.042 0.000 0.216 169 G HA3 -0.261 3.724 3.960 0.042 0.000 0.216 169 G C 1.570 176.382 174.900 -0.146 0.000 1.154 169 G CA 0.945 45.946 45.100 -0.165 0.000 0.784 169 G HN 0.485 nan 8.290 nan 0.000 0.538 170 K N 0.997 121.304 120.400 -0.154 0.000 2.057 170 K HA -0.019 4.326 4.320 0.042 0.000 0.207 170 K C 2.382 178.828 176.600 -0.258 0.000 1.049 170 K CA 1.363 57.545 56.287 -0.174 0.000 0.931 170 K CB -0.392 32.024 32.500 -0.140 0.000 0.714 170 K HN 0.258 nan 8.250 nan 0.000 0.440 171 R N -0.317 120.003 120.500 -0.300 0.000 2.081 171 R HA -0.142 4.224 4.340 0.042 0.000 0.235 171 R C 2.349 178.152 176.300 -0.827 0.000 1.131 171 R CA 1.746 57.566 56.100 -0.467 0.000 0.960 171 R CB -0.907 29.150 30.300 -0.405 0.000 0.856 171 R HN 0.431 nan 8.270 nan 0.000 0.436 172 C N 0.213 119.106 119.300 -0.678 0.000 2.413 172 C HA -0.118 4.367 4.460 0.042 0.000 0.277 172 C C 2.771 177.618 174.990 -0.238 0.000 1.265 172 C CA 0.941 59.623 59.018 -0.561 0.000 1.752 172 C CB -1.216 26.530 27.740 0.011 0.000 1.998 172 C HN 0.782 nan 8.230 nan 0.000 0.489 173 C N 0.647 119.823 119.300 -0.206 0.000 2.419 173 C HA -0.060 4.425 4.460 0.042 0.000 0.283 173 C C 2.507 177.314 174.990 -0.304 0.000 1.373 173 C CA 0.802 59.700 59.018 -0.200 0.000 1.781 173 C CB -1.560 25.963 27.740 -0.361 0.000 1.886 173 C HN 0.634 nan 8.230 nan 0.000 0.520 174 L N -0.717 120.323 121.223 -0.305 0.000 2.093 174 L HA -0.131 4.234 4.340 0.042 0.000 0.208 174 L C 2.664 179.566 176.870 0.053 0.000 1.085 174 L CA 1.583 56.316 54.840 -0.179 0.000 0.755 174 L CB -0.737 41.217 42.059 -0.175 0.000 0.904 174 L HN 0.474 nan 8.230 nan 0.000 0.435 175 W N 0.693 121.981 121.300 -0.021 0.000 2.379 175 W HA -0.082 4.604 4.660 0.043 0.000 0.307 175 W C 2.452 178.990 176.519 0.031 0.000 1.200 175 W CA 0.348 57.694 57.345 0.002 0.000 1.297 175 W CB -1.058 28.406 29.460 0.006 0.000 1.140 175 W HN 0.066 nan 8.180 nan 0.000 0.507 176 I N 0.280 121.035 120.570 0.308 0.000 2.286 176 I HA -0.341 3.854 4.170 0.042 0.000 0.248 176 I C 2.623 178.917 176.117 0.295 0.000 1.115 176 I CA 1.770 63.242 61.300 0.287 0.000 1.392 176 I CB -0.674 37.548 38.000 0.370 0.000 1.065 176 I HN 0.045 nan 8.210 nan 0.000 0.418 177 Q N 0.873 120.824 119.800 0.250 0.000 2.084 177 Q HA -0.250 4.115 4.340 0.042 0.000 0.202 177 Q C 1.638 177.729 176.000 0.152 0.000 0.978 177 Q CA 1.954 57.905 55.803 0.245 0.000 0.844 177 Q CB 0.093 28.827 28.738 -0.006 0.000 0.898 177 Q HN 0.415 nan 8.270 nan 0.000 0.426 178 D N 0.218 120.687 120.400 0.115 0.000 2.097 178 D HA -0.122 4.544 4.640 0.042 0.000 0.197 178 D C 1.867 178.211 176.300 0.073 0.000 0.984 178 D CA 0.998 55.047 54.000 0.083 0.000 0.826 178 D CB -0.111 40.736 40.800 0.079 0.000 0.973 178 D HN 0.273 nan 8.370 nan 0.000 0.460 179 L N -0.043 121.232 121.223 0.086 0.000 2.083 179 L HA -0.168 4.198 4.340 0.042 0.000 0.209 179 L C 2.457 179.358 176.870 0.050 0.000 1.083 179 L CA 0.616 55.489 54.840 0.055 0.000 0.752 179 L CB -0.324 41.768 42.059 0.055 0.000 0.899 179 L HN 0.167 nan 8.230 nan 0.000 0.433 180 C N -0.402 118.947 119.300 0.083 0.000 2.429 180 C HA -0.173 4.312 4.460 0.042 0.000 0.277 180 C C 2.890 177.912 174.990 0.055 0.000 1.262 180 C CA 0.777 59.834 59.018 0.066 0.000 1.733 180 C CB -0.592 27.203 27.740 0.091 0.000 2.010 180 C HN 0.493 nan 8.230 nan 0.000 0.483 181 M N 0.499 120.138 119.600 0.064 0.000 2.149 181 M HA -0.168 4.337 4.480 0.042 0.000 0.261 181 M C 1.719 178.038 176.300 0.032 0.000 1.064 181 M CA 1.649 56.977 55.300 0.048 0.000 1.102 181 M CB -0.547 32.082 32.600 0.047 0.000 1.369 181 M HN 0.405 nan 8.290 nan 0.000 0.408 182 D N 0.364 120.779 120.400 0.025 0.000 2.117 182 D HA -0.122 4.543 4.640 0.042 0.000 0.198 182 D C 1.921 178.226 176.300 0.009 0.000 0.982 182 D CA 1.121 55.127 54.000 0.009 0.000 0.828 182 D CB -0.265 40.533 40.800 -0.003 0.000 0.967 182 D HN 0.227 nan 8.370 nan 0.000 0.464 183 L N 1.202 122.429 121.223 0.007 0.000 2.046 183 L HA -0.191 4.174 4.340 0.042 0.000 0.208 183 L C 2.241 179.131 176.870 0.034 0.000 1.077 183 L CA 1.701 56.542 54.840 0.002 0.000 0.747 183 L CB -0.454 41.595 42.059 -0.018 0.000 0.896 183 L HN -0.035 nan 8.230 nan 0.000 0.432 184 Q N -1.000 118.823 119.800 0.038 0.000 2.079 184 Q HA -0.186 4.179 4.340 0.042 0.000 0.200 184 Q C 2.012 178.036 176.000 0.041 0.000 0.974 184 Q CA 1.544 57.374 55.803 0.045 0.000 0.840 184 Q CB -0.173 28.589 28.738 0.040 0.000 0.898 184 Q HN 0.527 nan 8.270 nan 0.000 0.430 185 N N 0.429 119.149 118.700 0.033 0.000 2.043 185 N HA -0.148 4.618 4.740 0.042 0.000 0.193 185 N C 1.653 177.185 175.510 0.038 0.000 1.037 185 N CA 1.048 54.116 53.050 0.030 0.000 0.851 185 N CB -0.320 38.179 38.487 0.019 0.000 1.027 185 N HN 0.077 nan 8.380 nan 0.000 0.422 186 L N 1.237 122.483 121.223 0.038 0.000 2.012 186 L HA -0.156 4.209 4.340 0.042 0.000 0.210 186 L C 2.258 179.171 176.870 0.071 0.000 1.073 186 L CA 1.527 56.401 54.840 0.056 0.000 0.748 186 L CB -0.864 41.226 42.059 0.051 0.000 0.891 186 L HN 0.113 nan 8.230 nan 0.000 0.431 187 K N -0.013 120.430 120.400 0.072 0.000 2.032 187 K HA -0.213 4.132 4.320 0.042 0.000 0.209 187 K C 2.336 178.968 176.600 0.052 0.000 1.048 187 K CA 1.572 57.905 56.287 0.077 0.000 0.927 187 K CB -0.288 32.269 32.500 0.094 0.000 0.712 187 K HN 0.125 nan 8.250 nan 0.000 0.441 188 R N -0.162 120.366 120.500 0.046 0.000 2.083 188 R HA -0.121 4.244 4.340 0.042 0.000 0.237 188 R C 1.973 178.296 176.300 0.039 0.000 1.137 188 R CA 1.867 57.988 56.100 0.036 0.000 0.951 188 R CB -0.364 29.957 30.300 0.034 0.000 0.851 188 R HN 0.133 nan 8.270 nan 0.000 0.434 189 V N 1.572 121.517 119.914 0.051 0.000 2.358 189 V HA -0.213 3.932 4.120 0.042 0.000 0.246 189 V C 2.702 178.836 176.094 0.066 0.000 1.047 189 V CA 1.884 64.223 62.300 0.064 0.000 1.035 189 V CB -0.721 31.150 31.823 0.080 0.000 0.658 189 V HN 0.399 nan 8.190 nan 0.000 0.452 190 R N 0.446 120.984 120.500 0.063 0.000 2.073 190 R HA -0.181 4.184 4.340 0.042 0.000 0.234 190 R C 1.941 178.238 176.300 -0.005 0.000 1.134 190 R CA 2.217 58.341 56.100 0.040 0.000 0.952 190 R CB -0.711 29.616 30.300 0.044 0.000 0.850 190 R HN 0.465 nan 8.270 nan 0.000 0.433 191 D N 0.744 121.141 120.400 -0.005 0.000 2.178 191 D HA -0.124 4.541 4.640 0.042 0.000 0.201 191 D C 1.021 177.308 176.300 -0.022 0.000 0.980 191 D CA 1.178 55.161 54.000 -0.029 0.000 0.842 191 D CB -0.241 40.549 40.800 -0.016 0.000 0.948 191 D HN 0.278 nan 8.370 nan 0.000 0.472 192 D N -0.297 120.105 120.400 0.003 0.000 2.339 192 D HA 0.027 4.692 4.640 0.042 0.000 0.217 192 D C 0.421 176.728 176.300 0.010 0.000 1.050 192 D CA -0.241 53.760 54.000 0.003 0.000 0.856 192 D CB 0.056 40.864 40.800 0.013 0.000 0.922 192 D HN 0.101 nan 8.370 nan 0.000 0.518 193 L N 1.511 122.762 121.223 0.047 0.000 2.513 193 L HA 0.091 4.457 4.340 0.042 0.000 0.272 193 L C 0.305 177.281 176.870 0.177 0.000 1.187 193 L CA 0.464 55.371 54.840 0.112 0.000 0.895 193 L CB 0.175 42.343 42.059 0.181 0.000 1.147 193 L HN -0.245 nan 8.230 nan 0.000 0.483 194 R N 3.417 123.912 120.500 -0.010 0.000 2.540 194 R HA 0.403 4.768 4.340 0.042 0.000 0.287 194 R C -0.892 175.345 176.300 -0.105 0.000 0.980 194 R CA -0.655 55.353 56.100 -0.153 0.000 0.966 194 R CB 1.057 30.866 30.300 -0.819 0.000 1.106 194 R HN 0.423 nan 8.270 nan 0.000 0.480 195 F N 2.039 121.780 119.950 -0.348 0.000 2.399 195 F HA 0.193 4.745 4.527 0.042 0.000 0.342 195 F C 1.682 177.456 175.800 -0.043 0.000 1.106 195 F CA -0.366 57.321 58.000 -0.521 0.000 1.196 195 F CB 0.952 39.589 39.000 -0.606 0.000 1.163 195 F HN 0.450 nan 8.300 nan 0.000 0.547 196 R N 3.187 123.454 120.500 -0.389 0.000 2.073 196 R HA 0.161 4.526 4.340 0.042 0.000 0.229 196 R C 1.199 177.431 176.300 -0.113 0.000 1.120 196 R CA 1.191 57.231 56.100 -0.101 0.000 0.967 196 R CB -0.701 29.504 30.300 -0.158 0.000 0.862 196 R HN 1.024 nan 8.270 nan 0.000 0.436 197 G N -0.149 108.412 108.800 -0.399 0.000 2.528 197 G HA2 -0.315 3.671 3.960 0.042 0.000 0.262 197 G HA3 -0.315 3.671 3.960 0.042 0.000 0.262 197 G C -0.327 174.650 174.900 0.128 0.000 1.200 197 G CA 0.088 45.219 45.100 0.052 0.000 0.951 197 G HN 0.684 nan 8.290 nan 0.000 0.566 198 V N -1.996 117.969 119.914 0.084 0.000 2.347 198 V HA 0.878 5.023 4.120 0.042 0.000 0.280 198 V C 0.499 176.592 176.094 -0.002 0.000 1.021 198 V CA -0.038 62.227 62.300 -0.060 0.000 0.847 198 V CB 1.420 32.876 31.823 -0.612 0.000 0.990 198 V HN 0.756 nan 8.190 nan 0.000 0.444 199 K N 3.180 123.672 120.400 0.154 0.000 2.538 199 K HA 0.426 4.771 4.320 0.042 0.000 0.215 199 K C 0.842 177.572 176.600 0.216 0.000 1.345 199 K CA 0.554 56.937 56.287 0.159 0.000 0.985 199 K CB 1.193 33.755 32.500 0.103 0.000 1.116 199 K HN 1.417 nan 8.250 nan 0.000 0.582 200 G N 1.063 110.039 108.800 0.293 0.000 2.795 200 G HA2 -0.294 3.691 3.960 0.042 0.000 0.664 200 G HA3 -0.294 3.691 3.960 0.042 0.000 0.664 200 G C 0.742 175.698 174.900 0.094 0.000 1.381 200 G CA 0.008 45.214 45.100 0.177 0.000 0.853 200 G HN -0.044 nan 8.290 nan 0.000 0.545 201 T N 0.142 114.721 114.554 0.042 0.000 2.653 201 T HA -0.145 4.230 4.350 0.042 0.000 0.268 201 T C 2.413 177.138 174.700 0.042 0.000 1.035 201 T CA 3.413 65.535 62.100 0.036 0.000 1.154 201 T CB -0.457 68.418 68.868 0.012 0.000 0.862 201 T HN 1.810 nan 8.240 nan 0.000 0.441 202 T N -2.393 112.185 114.554 0.040 0.000 3.132 202 T HA 0.554 4.929 4.350 0.042 0.000 0.274 202 T C 1.420 176.147 174.700 0.046 0.000 1.011 202 T CA 0.481 62.605 62.100 0.040 0.000 0.899 202 T CB 0.610 69.497 68.868 0.031 0.000 1.089 202 T HN 0.555 nan 8.240 nan 0.000 0.543 203 G N 1.696 110.530 108.800 0.058 0.000 2.176 203 G HA2 -0.324 3.661 3.960 0.042 0.000 0.232 203 G HA3 -0.324 3.661 3.960 0.042 0.000 0.232 203 G C 0.964 175.911 174.900 0.077 0.000 0.986 203 G CA 0.709 45.847 45.100 0.064 0.000 0.643 203 G HN 1.022 nan 8.290 nan 0.000 0.522 204 T N -2.162 112.439 114.554 0.077 0.000 3.081 204 T HA 0.345 4.720 4.350 0.042 0.000 0.250 204 T C 1.209 175.974 174.700 0.108 0.000 1.100 204 T CA 1.259 63.406 62.100 0.078 0.000 1.038 204 T CB -0.102 68.800 68.868 0.056 0.000 0.962 204 T HN 0.943 nan 8.240 nan 0.000 0.516 205 Q N -0.385 119.507 119.800 0.154 0.000 2.480 205 Q HA -0.276 4.089 4.340 0.042 0.000 0.265 205 Q C 1.435 177.551 176.000 0.194 0.000 1.072 205 Q CA 0.345 56.304 55.803 0.259 0.000 1.018 205 Q CB -2.010 26.872 28.738 0.239 0.000 1.433 205 Q HN 0.764 nan 8.270 nan 0.000 0.513 206 A N 0.341 123.214 122.820 0.089 0.000 1.902 206 A HA -0.240 4.105 4.320 0.042 0.000 0.217 206 A C 2.153 179.720 177.584 -0.027 0.000 1.181 206 A CA 1.903 53.961 52.037 0.034 0.000 0.623 206 A CB -0.626 18.378 19.000 0.007 0.000 0.818 206 A HN 0.726 nan 8.150 nan 0.000 0.443 207 S N -0.151 115.469 115.700 -0.134 0.000 2.359 207 S HA -0.233 4.262 4.470 0.042 0.000 0.223 207 S C 1.691 176.087 174.600 -0.339 0.000 1.039 207 S CA 1.787 59.793 58.200 -0.324 0.000 1.042 207 S CB -0.998 61.842 63.200 -0.600 0.000 0.915 207 S HN 0.408 nan 8.310 nan 0.000 0.439 208 F N 1.444 121.361 119.950 -0.056 0.000 2.186 208 F HA 0.185 4.737 4.527 0.041 0.000 0.299 208 F C 2.260 178.079 175.800 0.032 0.000 1.090 208 F CA 0.370 58.334 58.000 -0.060 0.000 1.307 208 F CB -0.843 38.192 39.000 0.058 0.000 1.019 208 F HN 0.179 nan 8.300 nan 0.000 0.489 209 L N 0.277 121.648 121.223 0.248 0.000 2.042 209 L HA -0.232 4.133 4.340 0.042 0.000 0.210 209 L C 2.465 179.407 176.870 0.118 0.000 1.076 209 L CA 1.801 56.766 54.840 0.209 0.000 0.749 209 L CB -0.897 41.250 42.059 0.146 0.000 0.893 209 L HN 0.229 nan 8.230 nan 0.000 0.432 210 Q N -0.875 118.940 119.800 0.026 0.000 2.084 210 Q HA -0.210 4.155 4.340 0.042 0.000 0.202 210 Q C 2.302 178.269 176.000 -0.056 0.000 0.978 210 Q CA 1.888 57.680 55.803 -0.019 0.000 0.844 210 Q CB -0.194 28.509 28.738 -0.058 0.000 0.898 210 Q HN 0.581 nan 8.270 nan 0.000 0.426 211 L N -0.464 120.669 121.223 -0.150 0.000 2.131 211 L HA -0.155 4.210 4.340 0.042 0.000 0.210 211 L C 1.268 177.965 176.870 -0.288 0.000 1.092 211 L CA 0.809 55.480 54.840 -0.282 0.000 0.759 211 L CB -0.123 41.656 42.059 -0.467 0.000 0.903 211 L HN 0.228 nan 8.230 nan 0.000 0.435 212 F N -0.105 119.873 119.950 0.047 0.000 2.645 212 F HA 0.105 4.657 4.527 0.042 0.000 0.300 212 F C 0.785 176.605 175.800 0.034 0.000 1.115 212 F CA -0.735 57.291 58.000 0.043 0.000 1.355 212 F CB -0.713 38.319 39.000 0.054 0.000 1.026 212 F HN 0.052 nan 8.300 nan 0.000 0.536 213 E N -0.186 120.099 120.200 0.142 0.000 2.297 213 E HA -0.270 4.105 4.350 0.042 0.000 0.228 213 E C 1.408 178.069 176.600 0.102 0.000 1.213 213 E CA 0.429 56.886 56.400 0.094 0.000 0.712 213 E CB -1.719 28.029 29.700 0.079 0.000 1.202 213 E HN 0.683 nan 8.360 nan 0.000 0.376 214 G N 0.723 109.593 108.800 0.117 0.000 2.159 214 G HA2 -0.313 3.672 3.960 0.042 0.000 0.256 214 G HA3 -0.313 3.672 3.960 0.042 0.000 0.256 214 G C -0.116 174.848 174.900 0.107 0.000 0.977 214 G CA 0.171 45.331 45.100 0.099 0.000 0.652 214 G HN 0.423 nan 8.290 nan 0.000 0.531 215 D N 0.977 121.461 120.400 0.139 0.000 2.453 215 D HA 0.283 4.949 4.640 0.042 0.000 0.223 215 D C 1.311 177.659 176.300 0.081 0.000 1.183 215 D CA -0.336 53.723 54.000 0.099 0.000 0.933 215 D CB 0.065 40.910 40.800 0.075 0.000 1.038 215 D HN 0.290 nan 8.370 nan 0.000 0.513 216 D N 1.397 121.847 120.400 0.084 0.000 2.149 216 D HA -0.210 4.455 4.640 0.042 0.000 0.198 216 D C 1.543 177.880 176.300 0.061 0.000 0.990 216 D CA 0.847 54.894 54.000 0.079 0.000 0.839 216 D CB 0.064 40.909 40.800 0.076 0.000 0.948 216 D HN 0.689 nan 8.370 nan 0.000 0.460 217 H N 1.489 120.532 119.070 -0.044 0.000 2.353 217 H HA -0.062 4.520 4.556 0.042 0.000 0.300 217 H C 1.815 177.053 175.328 -0.150 0.000 1.090 217 H CA 1.165 57.168 56.048 -0.075 0.000 1.327 217 H CB 0.347 30.070 29.762 -0.065 0.000 1.383 217 H HN 0.023 nan 8.280 nan 0.000 0.508 218 K N 0.135 120.318 120.400 -0.362 0.000 2.148 218 K HA -0.068 4.278 4.320 0.042 0.000 0.204 218 K C 2.275 178.490 176.600 -0.642 0.000 1.050 218 K CA 1.034 56.898 56.287 -0.705 0.000 0.942 218 K CB 0.215 32.079 32.500 -1.060 0.000 0.724 218 K HN 0.117 nan 8.250 nan 0.000 0.446 219 V N 1.927 121.674 119.914 -0.278 0.000 2.295 219 V HA -0.221 3.924 4.120 0.042 0.000 0.246 219 V C 2.194 178.230 176.094 -0.097 0.000 1.049 219 V CA 1.691 63.970 62.300 -0.036 0.000 1.024 219 V CB -0.366 31.531 31.823 0.124 0.000 0.648 219 V HN 0.290 nan 8.190 nan 0.000 0.447 220 E N 0.025 120.166 120.200 -0.099 0.000 2.077 220 E HA -0.261 4.114 4.350 0.042 0.000 0.193 220 E C 2.291 178.811 176.600 -0.134 0.000 0.989 220 E CA 1.423 57.778 56.400 -0.076 0.000 0.800 220 E CB -0.274 29.414 29.700 -0.019 0.000 0.746 220 E HN 0.689 nan 8.360 nan 0.000 0.452 221 Q N 0.301 119.945 119.800 -0.262 0.000 2.030 221 Q HA -0.189 4.176 4.340 0.042 0.000 0.204 221 Q C 2.379 178.275 176.000 -0.174 0.000 0.986 221 Q CA 1.224 56.869 55.803 -0.264 0.000 0.843 221 Q CB -0.282 28.206 28.738 -0.417 0.000 0.904 221 Q HN 0.136 nan 8.270 nan 0.000 0.420 222 L N 1.294 122.410 121.223 -0.180 0.000 2.013 222 L HA -0.238 4.127 4.340 0.042 0.000 0.212 222 L C 1.785 178.609 176.870 -0.078 0.000 1.073 222 L CA 2.192 56.973 54.840 -0.098 0.000 0.753 222 L CB -0.617 41.411 42.059 -0.052 0.000 0.890 222 L HN 0.160 nan 8.230 nan 0.000 0.432 223 D N -0.700 119.648 120.400 -0.088 0.000 2.123 223 D HA -0.214 4.451 4.640 0.042 0.000 0.196 223 D C 2.210 178.515 176.300 0.008 0.000 0.992 223 D CA 1.397 55.382 54.000 -0.025 0.000 0.833 223 D CB 0.056 40.847 40.800 -0.016 0.000 0.954 223 D HN 0.308 nan 8.370 nan 0.000 0.455 224 K N -0.805 119.577 120.400 -0.031 0.000 2.057 224 K HA -0.060 4.285 4.320 0.042 0.000 0.207 224 K C 2.282 178.843 176.600 -0.065 0.000 1.049 224 K CA 1.017 57.281 56.287 -0.039 0.000 0.931 224 K CB -0.045 32.425 32.500 -0.050 0.000 0.714 224 K HN 0.200 nan 8.250 nan 0.000 0.440 225 M N 0.225 119.785 119.600 -0.067 0.000 2.086 225 M HA -0.172 4.333 4.480 0.042 0.000 0.261 225 M C 2.281 178.516 176.300 -0.108 0.000 1.067 225 M CA 1.592 56.844 55.300 -0.080 0.000 1.116 225 M CB -0.347 32.222 32.600 -0.051 0.000 1.348 225 M HN 0.111 nan 8.290 nan 0.000 0.407 226 V N -2.683 117.215 119.914 -0.027 0.000 2.427 226 V HA -0.169 3.976 4.120 0.042 0.000 0.248 226 V C 1.999 177.974 176.094 -0.198 0.000 1.051 226 V CA 2.192 64.502 62.300 0.017 0.000 1.048 226 V CB -1.543 30.465 31.823 0.307 0.000 0.666 226 V HN 0.398 nan 8.190 nan 0.000 0.456 227 T N 0.375 114.836 114.554 -0.155 0.000 2.652 227 T HA -0.196 4.179 4.350 0.042 0.000 0.267 227 T C 1.880 176.313 174.700 -0.445 0.000 1.039 227 T CA 2.238 64.090 62.100 -0.413 0.000 1.153 227 T CB -0.390 68.431 68.868 -0.079 0.000 0.863 227 T HN 0.668 nan 8.240 nan 0.000 0.428 228 E N 0.924 120.951 120.200 -0.289 0.000 2.051 228 E HA -0.143 4.232 4.350 0.042 0.000 0.192 228 E C 2.372 178.730 176.600 -0.403 0.000 0.991 228 E CA 1.046 57.283 56.400 -0.271 0.000 0.799 228 E CB -0.128 29.460 29.700 -0.188 0.000 0.748 228 E HN 0.467 nan 8.360 nan 0.000 0.449 229 K N 0.335 120.400 120.400 -0.559 0.000 2.152 229 K HA -0.116 4.229 4.320 0.042 0.000 0.206 229 K C 1.911 177.721 176.600 -1.318 0.000 1.048 229 K CA 1.133 56.849 56.287 -0.951 0.000 0.933 229 K CB -0.072 31.648 32.500 -1.300 0.000 0.721 229 K HN 0.028 nan 8.250 nan 0.000 0.447 230 A N 0.244 122.390 122.820 -1.124 0.000 2.235 230 A HA 0.162 4.507 4.320 0.042 0.000 0.208 230 A C 1.398 178.820 177.584 -0.271 0.000 1.172 230 A CA 0.844 52.414 52.037 -0.777 0.000 0.786 230 A CB -0.373 18.095 19.000 -0.886 0.000 0.804 230 A HN 0.426 nan 8.150 nan 0.000 0.479 231 G N -2.213 106.405 108.800 -0.304 0.000 2.143 231 G HA2 -0.251 3.734 3.960 0.042 0.000 0.249 231 G HA3 -0.251 3.734 3.960 0.042 0.000 0.249 231 G C -0.105 174.647 174.900 -0.247 0.000 0.981 231 G CA 0.202 45.173 45.100 -0.214 0.000 0.665 231 G HN 0.312 nan 8.290 nan 0.000 0.528 232 F N 0.506 120.250 119.950 -0.343 0.000 2.404 232 F HA 0.529 5.081 4.527 0.041 0.000 0.339 232 F C 1.656 177.340 175.800 -0.193 0.000 1.105 232 F CA -0.662 57.190 58.000 -0.246 0.000 1.087 232 F CB 1.344 40.175 39.000 -0.281 0.000 1.143 232 F HN -0.118 nan 8.300 nan 0.000 0.491 233 K N 1.330 121.725 120.400 -0.010 0.000 2.155 233 K HA 0.011 4.356 4.320 0.042 0.000 0.203 233 K C 0.627 177.231 176.600 0.007 0.000 1.052 233 K CA 0.896 57.167 56.287 -0.026 0.000 0.948 233 K CB 0.326 32.797 32.500 -0.048 0.000 0.728 233 K HN 0.477 nan 8.250 nan 0.000 0.448 234 R N -0.250 120.285 120.500 0.058 0.000 2.651 234 R HA 0.435 4.800 4.340 0.042 0.000 0.278 234 R C -1.932 174.389 176.300 0.036 0.000 1.010 234 R CA -0.378 55.734 56.100 0.021 0.000 0.896 234 R CB 2.025 32.311 30.300 -0.025 0.000 1.211 234 R HN 0.029 nan 8.270 nan 0.000 0.456 235 A N 3.208 126.038 122.820 0.016 0.000 2.337 235 A HA 0.615 4.960 4.320 0.042 0.000 0.331 235 A C -0.958 176.605 177.584 -0.034 0.000 1.137 235 A CA -0.632 51.429 52.037 0.041 0.000 0.807 235 A CB 0.511 19.593 19.000 0.137 0.000 1.250 235 A HN 0.583 nan 8.150 nan 0.000 0.468 236 F N 0.875 120.859 119.950 0.056 0.000 2.602 236 F HA 0.075 4.628 4.527 0.042 0.000 0.367 236 F C 1.539 177.367 175.800 0.048 0.000 1.126 236 F CA 0.564 58.594 58.000 0.050 0.000 1.321 236 F CB 0.299 39.327 39.000 0.046 0.000 1.094 236 F HN 0.462 nan 8.300 nan 0.000 0.594 237 I N 2.400 123.111 120.570 0.235 0.000 2.339 237 I HA -0.090 4.105 4.170 0.042 0.000 0.245 237 I C 0.546 176.762 176.117 0.165 0.000 1.096 237 I CA 0.753 62.148 61.300 0.159 0.000 1.408 237 I CB 0.020 38.088 38.000 0.114 0.000 1.092 237 I HN 0.267 nan 8.210 nan 0.000 0.423 238 I N 2.135 122.822 120.570 0.195 0.000 2.321 238 I HA 0.230 4.425 4.170 0.042 0.000 0.291 238 I C 0.197 176.345 176.117 0.051 0.000 0.998 238 I CA 0.206 61.579 61.300 0.123 0.000 1.227 238 I CB 0.602 38.668 38.000 0.110 0.000 1.368 238 I HN 0.177 nan 8.210 nan 0.000 0.466 239 T N 1.665 116.225 114.554 0.009 0.000 2.864 239 T HA 0.752 5.127 4.350 0.042 0.000 0.299 239 T C 0.189 174.877 174.700 -0.020 0.000 1.166 239 T CA -0.565 61.491 62.100 -0.074 0.000 1.007 239 T CB 1.988 70.800 68.868 -0.094 0.000 1.219 239 T HN 0.577 nan 8.240 nan 0.000 0.506 240 G N -0.321 108.458 108.800 -0.035 0.000 3.086 240 G HA2 0.245 4.230 3.960 0.042 0.000 0.159 240 G HA3 0.245 4.230 3.960 0.042 0.000 0.159 240 G C 0.726 175.625 174.900 -0.003 0.000 1.654 240 G CA 0.309 45.411 45.100 0.002 0.000 1.078 240 G HN 0.896 nan 8.290 nan 0.000 0.558 241 Q N -0.661 119.138 119.800 -0.001 0.000 2.167 241 Q HA 0.020 4.385 4.340 0.042 0.000 0.202 241 Q C 1.192 177.169 176.000 -0.039 0.000 0.970 241 Q CA 1.460 57.263 55.803 -0.000 0.000 0.855 241 Q CB -0.170 28.573 28.738 0.008 0.000 0.911 241 Q HN 0.583 nan 8.270 nan 0.000 0.438 242 T N -2.238 112.258 114.554 -0.098 0.000 2.942 242 T HA 0.367 4.742 4.350 0.042 0.000 0.289 242 T C -0.235 174.333 174.700 -0.219 0.000 1.044 242 T CA -0.978 61.007 62.100 -0.191 0.000 1.023 242 T CB 0.682 69.375 68.868 -0.291 0.000 1.123 242 T HN 0.236 nan 8.240 nan 0.000 0.512 243 Y N 0.027 120.196 120.300 -0.217 0.000 2.578 243 Y HA 0.427 5.002 4.550 0.041 0.000 0.339 243 Y C 0.929 176.654 175.900 -0.292 0.000 1.231 243 Y CA -0.981 56.885 58.100 -0.391 0.000 1.461 243 Y CB -0.432 37.864 38.460 -0.274 0.000 1.323 243 Y HN 0.822 nan 8.280 nan 0.000 0.590 244 T N 4.218 118.656 114.554 -0.194 0.000 2.871 244 T HA 0.030 4.405 4.350 0.042 0.000 0.296 244 T C 1.070 175.802 174.700 0.053 0.000 0.998 244 T CA -0.577 61.472 62.100 -0.085 0.000 1.162 244 T CB 0.140 68.976 68.868 -0.053 0.000 0.947 244 T HN 0.737 nan 8.240 nan 0.000 0.536 245 R N 3.748 124.220 120.500 -0.046 0.000 2.357 245 R HA 0.008 4.373 4.340 0.042 0.000 0.202 245 R C 2.113 178.466 176.300 0.087 0.000 1.047 245 R CA 0.530 56.633 56.100 0.004 0.000 1.034 245 R CB -0.497 29.762 30.300 -0.069 0.000 0.875 245 R HN 0.725 nan 8.270 nan 0.000 0.473 246 K N 0.761 121.213 120.400 0.087 0.000 2.113 246 K HA -0.121 4.225 4.320 0.042 0.000 0.208 246 K C 1.702 178.389 176.600 0.146 0.000 1.047 246 K CA 1.201 57.548 56.287 0.099 0.000 0.928 246 K CB 0.050 32.605 32.500 0.091 0.000 0.716 246 K HN -0.071 nan 8.250 nan 0.000 0.446 247 V N 1.975 122.022 119.914 0.222 0.000 2.282 247 V HA -0.297 3.848 4.120 0.042 0.000 0.249 247 V C 1.603 177.822 176.094 0.209 0.000 1.057 247 V CA 2.277 64.717 62.300 0.233 0.000 1.032 247 V CB -0.526 31.457 31.823 0.265 0.000 0.645 247 V HN 0.423 nan 8.190 nan 0.000 0.447 248 D N -0.332 120.216 120.400 0.247 0.000 2.178 248 D HA -0.084 4.581 4.640 0.042 0.000 0.202 248 D C 2.002 178.372 176.300 0.117 0.000 0.974 248 D CA 1.068 55.186 54.000 0.196 0.000 0.841 248 D CB -0.202 40.706 40.800 0.181 0.000 0.953 248 D HN 0.430 nan 8.370 nan 0.000 0.478 249 I N 1.090 121.715 120.570 0.092 0.000 2.179 249 I HA -0.209 3.986 4.170 0.042 0.000 0.242 249 I C 2.235 178.383 176.117 0.052 0.000 1.088 249 I CA 0.958 62.290 61.300 0.053 0.000 1.357 249 I CB -0.119 37.907 38.000 0.044 0.000 1.051 249 I HN -0.102 nan 8.210 nan 0.000 0.409 250 E N 0.585 120.829 120.200 0.075 0.000 2.077 250 E HA -0.154 4.221 4.350 0.042 0.000 0.193 250 E C 2.426 179.063 176.600 0.061 0.000 0.989 250 E CA 1.162 57.602 56.400 0.067 0.000 0.800 250 E CB -0.509 29.242 29.700 0.085 0.000 0.746 250 E HN 0.347 nan 8.360 nan 0.000 0.452 251 V N 1.024 120.991 119.914 0.088 0.000 2.244 251 V HA -0.211 3.934 4.120 0.042 0.000 0.244 251 V C 2.392 178.488 176.094 0.002 0.000 1.042 251 V CA 1.266 63.622 62.300 0.094 0.000 1.006 251 V CB -0.443 31.502 31.823 0.203 0.000 0.641 251 V HN 0.131 nan 8.190 nan 0.000 0.446 252 L N 0.033 121.254 121.223 -0.004 0.000 2.291 252 L HA -0.050 4.315 4.340 0.042 0.000 0.214 252 L C 2.507 179.332 176.870 -0.075 0.000 1.120 252 L CA 1.493 56.288 54.840 -0.075 0.000 0.799 252 L CB -0.761 41.265 42.059 -0.056 0.000 0.925 252 L HN 0.233 nan 8.230 nan 0.000 0.446 253 S N -0.922 114.756 115.700 -0.037 0.000 2.383 253 S HA -0.133 4.362 4.470 0.042 0.000 0.227 253 S C 2.046 176.621 174.600 -0.042 0.000 1.026 253 S CA 1.360 59.539 58.200 -0.035 0.000 0.981 253 S CB -0.330 62.863 63.200 -0.011 0.000 0.818 253 S HN 0.439 nan 8.310 nan 0.000 0.472 254 V N 0.486 120.379 119.914 -0.035 0.000 2.453 254 V HA -0.007 4.138 4.120 0.042 0.000 0.247 254 V C 1.877 177.929 176.094 -0.071 0.000 1.048 254 V CA 1.336 63.615 62.300 -0.036 0.000 1.049 254 V CB -0.993 30.824 31.823 -0.010 0.000 0.672 254 V HN 0.412 nan 8.190 nan 0.000 0.457 255 L N 0.674 121.825 121.223 -0.120 0.000 2.093 255 L HA -0.007 4.358 4.340 0.042 0.000 0.208 255 L C 3.051 179.842 176.870 -0.131 0.000 1.085 255 L CA 1.517 56.256 54.840 -0.170 0.000 0.755 255 L CB -0.885 40.997 42.059 -0.295 0.000 0.904 255 L HN 0.438 nan 8.230 nan 0.000 0.435 256 A N -0.813 121.939 122.820 -0.113 0.000 1.902 256 A HA -0.226 4.119 4.320 0.042 0.000 0.217 256 A C 2.550 180.089 177.584 -0.076 0.000 1.181 256 A CA 2.046 54.024 52.037 -0.098 0.000 0.623 256 A CB -0.656 18.290 19.000 -0.090 0.000 0.818 256 A HN 0.346 nan 8.150 nan 0.000 0.443 257 S N -0.842 114.822 115.700 -0.061 0.000 2.402 257 S HA -0.114 4.381 4.470 0.042 0.000 0.229 257 S C 1.910 176.486 174.600 -0.040 0.000 1.021 257 S CA 1.343 59.517 58.200 -0.043 0.000 0.974 257 S CB -0.457 62.725 63.200 -0.029 0.000 0.800 257 S HN 0.495 nan 8.310 nan 0.000 0.484 258 L N 1.783 122.976 121.223 -0.049 0.000 2.083 258 L HA 0.133 4.498 4.340 0.042 0.000 0.209 258 L C 2.266 179.106 176.870 -0.050 0.000 1.083 258 L CA 2.153 56.964 54.840 -0.048 0.000 0.752 258 L CB -1.260 40.763 42.059 -0.062 0.000 0.899 258 L HN 0.349 nan 8.230 nan 0.000 0.433 259 G N -0.999 107.765 108.800 -0.061 0.000 2.418 259 G HA2 -0.263 3.722 3.960 0.042 0.000 0.217 259 G HA3 -0.263 3.722 3.960 0.042 0.000 0.217 259 G C 1.591 176.477 174.900 -0.023 0.000 1.158 259 G CA 0.788 45.858 45.100 -0.050 0.000 0.771 259 G HN 0.632 nan 8.290 nan 0.000 0.545 260 A N 0.693 123.490 122.820 -0.037 0.000 1.898 260 A HA 0.055 4.400 4.320 0.042 0.000 0.216 260 A C 2.713 180.298 177.584 0.002 0.000 1.181 260 A CA 2.159 54.178 52.037 -0.031 0.000 0.620 260 A CB -0.605 18.366 19.000 -0.049 0.000 0.819 260 A HN 0.305 nan 8.150 nan 0.000 0.442 261 S N -0.270 115.425 115.700 -0.007 0.000 2.353 261 S HA -0.155 4.340 4.470 0.042 0.000 0.222 261 S C 1.914 176.495 174.600 -0.032 0.000 1.035 261 S CA 1.592 59.790 58.200 -0.003 0.000 1.025 261 S CB -0.571 62.629 63.200 0.000 0.000 0.902 261 S HN 0.346 nan 8.310 nan 0.000 0.440 262 V N 1.761 121.648 119.914 -0.046 0.000 2.343 262 V HA -0.200 3.945 4.120 0.042 0.000 0.247 262 V C 2.355 178.387 176.094 -0.103 0.000 1.051 262 V CA 1.837 64.080 62.300 -0.095 0.000 1.036 262 V CB -0.813 30.957 31.823 -0.087 0.000 0.654 262 V HN 0.595 nan 8.190 nan 0.000 0.451 263 H N 0.433 119.428 119.070 -0.125 0.000 2.387 263 H HA -0.149 4.431 4.556 0.041 0.000 0.299 263 H C 2.434 177.683 175.328 -0.132 0.000 1.090 263 H CA 1.914 57.889 56.048 -0.122 0.000 1.332 263 H CB 0.122 29.828 29.762 -0.094 0.000 1.386 263 H HN 0.283 nan 8.280 nan 0.000 0.516 264 K N 0.995 121.419 120.400 0.040 0.000 2.025 264 K HA -0.079 4.267 4.320 0.042 0.000 0.207 264 K C 2.484 179.001 176.600 -0.139 0.000 1.049 264 K CA 1.057 57.341 56.287 -0.005 0.000 0.933 264 K CB -0.331 32.188 32.500 0.031 0.000 0.714 264 K HN 0.311 nan 8.250 nan 0.000 0.438 265 I N 0.830 121.243 120.570 -0.262 0.000 2.163 265 I HA -0.368 3.827 4.170 0.042 0.000 0.243 265 I C 2.540 178.259 176.117 -0.664 0.000 1.085 265 I CA 1.207 62.099 61.300 -0.679 0.000 1.347 265 I CB -0.304 37.273 38.000 -0.705 0.000 1.044 265 I HN 0.192 nan 8.210 nan 0.000 0.408 266 C N -0.024 119.006 119.300 -0.450 0.000 2.468 266 C HA -0.072 4.413 4.460 0.042 0.000 0.277 266 C C 2.943 177.731 174.990 -0.336 0.000 1.400 266 C CA 0.995 59.775 59.018 -0.396 0.000 1.770 266 C CB -1.073 26.464 27.740 -0.338 0.000 1.905 266 C HN 0.511 nan 8.230 nan 0.000 0.519 267 T N 0.894 115.259 114.554 -0.314 0.000 2.737 267 T HA -0.135 4.240 4.350 0.042 0.000 0.265 267 T C 1.336 175.921 174.700 -0.190 0.000 1.038 267 T CA 1.608 63.562 62.100 -0.243 0.000 1.144 267 T CB -0.344 68.415 68.868 -0.183 0.000 0.866 267 T HN 0.475 nan 8.240 nan 0.000 0.434 268 D N 1.049 121.356 120.400 -0.155 0.000 2.123 268 D HA -0.039 4.626 4.640 0.042 0.000 0.196 268 D C 2.036 178.320 176.300 -0.026 0.000 0.992 268 D CA 0.808 54.793 54.000 -0.024 0.000 0.833 268 D CB -0.396 40.555 40.800 0.251 0.000 0.954 268 D HN 0.357 nan 8.370 nan 0.000 0.455 269 I N 0.492 120.949 120.570 -0.187 0.000 2.226 269 I HA -0.258 3.937 4.170 0.042 0.000 0.245 269 I C 2.406 178.467 176.117 -0.093 0.000 1.100 269 I CA 1.075 62.282 61.300 -0.155 0.000 1.374 269 I CB -0.116 37.702 38.000 -0.304 0.000 1.057 269 I HN -0.066 nan 8.210 nan 0.000 0.413 270 R N 0.458 120.879 120.500 -0.130 0.000 2.096 270 R HA -0.104 4.261 4.340 0.042 0.000 0.235 270 R C 2.275 178.540 176.300 -0.059 0.000 1.127 270 R CA 1.145 57.185 56.100 -0.100 0.000 0.968 270 R CB -0.277 29.945 30.300 -0.129 0.000 0.861 270 R HN 0.350 nan 8.270 nan 0.000 0.440 271 L N 0.330 121.507 121.223 -0.077 0.000 2.093 271 L HA -0.142 4.223 4.340 0.042 0.000 0.208 271 L C 2.226 179.134 176.870 0.063 0.000 1.085 271 L CA 1.055 55.862 54.840 -0.056 0.000 0.755 271 L CB -0.347 41.554 42.059 -0.263 0.000 0.904 271 L HN 0.200 nan 8.230 nan 0.000 0.435 272 L N -0.363 120.915 121.223 0.092 0.000 2.131 272 L HA -0.166 4.199 4.340 0.042 0.000 0.210 272 L C 2.824 179.769 176.870 0.126 0.000 1.092 272 L CA 0.994 55.931 54.840 0.163 0.000 0.759 272 L CB -0.658 41.521 42.059 0.201 0.000 0.903 272 L HN 0.230 nan 8.230 nan 0.000 0.435 273 A N 0.052 122.912 122.820 0.067 0.000 1.969 273 A HA -0.223 4.122 4.320 0.042 0.000 0.218 273 A C 2.182 179.786 177.584 0.032 0.000 1.169 273 A CA 1.754 53.816 52.037 0.042 0.000 0.635 273 A CB -0.671 18.327 19.000 -0.003 0.000 0.810 273 A HN 0.522 nan 8.150 nan 0.000 0.445 274 N N 0.489 119.214 118.700 0.041 0.000 2.142 274 N HA -0.083 4.682 4.740 0.042 0.000 0.186 274 N C 1.515 177.065 175.510 0.067 0.000 1.023 274 N CA 1.278 54.355 53.050 0.046 0.000 0.852 274 N CB -0.211 38.311 38.487 0.059 0.000 0.998 274 N HN 0.487 nan 8.380 nan 0.000 0.424 275 L N 0.831 122.120 121.223 0.110 0.000 2.622 275 L HA 0.050 4.415 4.340 0.042 0.000 0.233 275 L C 0.694 177.628 176.870 0.107 0.000 1.156 275 L CA 0.410 55.329 54.840 0.131 0.000 0.866 275 L CB -0.221 41.967 42.059 0.216 0.000 0.980 275 L HN 0.156 nan 8.230 nan 0.000 0.448 276 K N -0.836 119.610 120.400 0.077 0.000 3.274 276 K HA -0.261 4.084 4.320 0.042 0.000 0.300 276 K C 0.882 177.570 176.600 0.146 0.000 1.230 276 K CA 1.123 57.430 56.287 0.034 0.000 0.884 276 K CB -1.319 31.147 32.500 -0.056 0.000 1.242 276 K HN 0.500 nan 8.250 nan 0.000 0.467 277 E N -0.089 120.239 120.200 0.213 0.000 2.170 277 E HA 0.079 4.454 4.350 0.042 0.000 0.191 277 E C 0.907 177.700 176.600 0.323 0.000 0.981 277 E CA 0.648 57.208 56.400 0.266 0.000 0.830 277 E CB 0.258 30.093 29.700 0.226 0.000 0.775 277 E HN 0.352 nan 8.360 nan 0.000 0.470 278 M N 0.399 120.164 119.600 0.275 0.000 2.531 278 M HA 0.328 4.834 4.480 0.042 0.000 0.286 278 M C -1.949 174.441 176.300 0.150 0.000 1.232 278 M CA -0.410 55.004 55.300 0.190 0.000 0.877 278 M CB 2.888 35.590 32.600 0.169 0.000 1.726 278 M HN -0.229 nan 8.290 nan 0.000 0.463 279 E N 1.226 121.452 120.200 0.044 0.000 2.366 279 E HA 0.315 4.690 4.350 0.042 0.000 0.278 279 E C -1.476 175.028 176.600 -0.161 0.000 0.923 279 E CA -0.606 55.786 56.400 -0.013 0.000 0.761 279 E CB 2.444 32.200 29.700 0.093 0.000 1.231 279 E HN 0.697 nan 8.360 nan 0.000 0.443 280 E N 2.211 122.316 120.200 -0.157 0.000 2.422 280 E HA 0.089 4.464 4.350 0.042 0.000 0.260 280 E C -2.210 174.219 176.600 -0.285 0.000 1.108 280 E CA -1.387 54.897 56.400 -0.193 0.000 0.943 280 E CB 0.199 29.815 29.700 -0.139 0.000 0.961 280 E HN 0.223 nan 8.360 nan 0.000 0.443 281 P HA -0.063 nan 4.420 nan 0.000 0.267 281 P C -0.641 176.529 177.300 -0.217 0.000 1.200 281 P CA 0.319 63.244 63.100 -0.292 0.000 0.772 281 P CB 0.312 31.927 31.700 -0.142 0.000 0.855 295 K N 3.833 124.229 120.400 -0.007 0.000 2.363 295 K HA 0.252 4.598 4.320 0.042 0.000 0.289 295 K C -0.862 175.693 176.600 -0.076 0.000 1.063 295 K CA -0.083 56.149 56.287 -0.091 0.000 0.967 295 K CB 0.261 32.789 32.500 0.046 0.000 0.987 295 K HN 0.259 nan 8.250 nan 0.000 0.473 296 R N 3.811 124.238 120.500 -0.121 0.000 2.310 296 R HA 0.253 4.618 4.340 0.042 0.000 0.324 296 R C -0.731 175.541 176.300 -0.048 0.000 0.955 296 R CA -0.887 55.183 56.100 -0.050 0.000 0.830 296 R CB 1.084 31.371 30.300 -0.022 0.000 1.154 296 R HN 0.586 nan 8.270 nan 0.000 0.458 297 N N 3.939 122.622 118.700 -0.030 0.000 2.456 297 N HA 0.229 4.994 4.740 0.042 0.000 0.288 297 N C -2.207 173.279 175.510 -0.040 0.000 1.059 297 N CA -1.722 51.309 53.050 -0.033 0.000 0.946 297 N CB 1.445 39.918 38.487 -0.023 0.000 1.150 297 N HN 0.314 nan 8.380 nan 0.000 0.479 298 P HA 0.118 nan 4.420 nan 0.000 0.220 298 P C 0.660 177.914 177.300 -0.076 0.000 1.806 298 P CA -0.206 62.851 63.100 -0.072 0.000 0.976 298 P CB 0.188 31.838 31.700 -0.083 0.000 1.952 299 M N 1.780 121.345 119.600 -0.058 0.000 2.175 299 M HA -0.093 4.412 4.480 0.042 0.000 0.264 299 M C 1.993 178.256 176.300 -0.062 0.000 1.063 299 M CA 1.824 57.094 55.300 -0.050 0.000 1.119 299 M CB -0.393 32.190 32.600 -0.028 0.000 1.377 299 M HN -0.073 nan 8.290 nan 0.000 0.415 300 R N -1.126 119.333 120.500 -0.070 0.000 2.075 300 R HA -0.047 4.318 4.340 0.042 0.000 0.232 300 R C 2.229 178.459 176.300 -0.116 0.000 1.126 300 R CA 1.706 57.757 56.100 -0.081 0.000 0.963 300 R CB -0.554 29.697 30.300 -0.082 0.000 0.858 300 R HN 0.370 nan 8.270 nan 0.000 0.435 301 S N 0.777 116.394 115.700 -0.138 0.000 2.382 301 S HA -0.136 4.359 4.470 0.042 0.000 0.228 301 S C 1.651 176.140 174.600 -0.185 0.000 1.027 301 S CA 1.200 59.291 58.200 -0.182 0.000 0.991 301 S CB -0.078 63.002 63.200 -0.200 0.000 0.823 301 S HN 0.367 nan 8.310 nan 0.000 0.469 302 E N 0.816 120.927 120.200 -0.147 0.000 2.077 302 E HA -0.156 4.219 4.350 0.042 0.000 0.193 302 E C 2.299 178.822 176.600 -0.128 0.000 0.989 302 E CA 0.767 57.085 56.400 -0.137 0.000 0.800 302 E CB -0.110 29.533 29.700 -0.094 0.000 0.746 302 E HN 0.337 nan 8.360 nan 0.000 0.452 303 R N 0.517 120.951 120.500 -0.111 0.000 2.073 303 R HA -0.150 4.216 4.340 0.042 0.000 0.234 303 R C 2.310 178.516 176.300 -0.156 0.000 1.134 303 R CA 1.661 57.690 56.100 -0.118 0.000 0.952 303 R CB -0.390 29.859 30.300 -0.086 0.000 0.850 303 R HN 0.223 nan 8.270 nan 0.000 0.433 304 C N -0.104 119.103 119.300 -0.155 0.000 2.413 304 C HA -0.154 4.331 4.460 0.042 0.000 0.276 304 C C 2.952 177.853 174.990 -0.149 0.000 1.248 304 C CA 0.590 59.514 59.018 -0.157 0.000 1.742 304 C CB -1.022 26.618 27.740 -0.167 0.000 2.017 304 C HN 0.700 nan 8.230 nan 0.000 0.481 305 C N -0.445 118.734 119.300 -0.202 0.000 2.413 305 C HA -0.123 4.362 4.460 0.042 0.000 0.276 305 C C 3.166 178.145 174.990 -0.018 0.000 1.236 305 C CA 1.784 60.663 59.018 -0.232 0.000 1.735 305 C CB -1.504 25.943 27.740 -0.490 0.000 2.031 305 C HN 0.731 nan 8.230 nan 0.000 0.474 306 S N 0.166 115.823 115.700 -0.072 0.000 2.356 306 S HA -0.083 4.412 4.470 0.042 0.000 0.223 306 S C 1.704 176.271 174.600 -0.055 0.000 1.032 306 S CA 1.415 59.586 58.200 -0.049 0.000 1.005 306 S CB -0.244 62.905 63.200 -0.086 0.000 0.867 306 S HN 0.586 nan 8.310 nan 0.000 0.449 307 L N 0.838 121.992 121.223 -0.116 0.000 2.109 307 L HA 0.041 4.406 4.340 0.042 0.000 0.207 307 L C 2.813 179.661 176.870 -0.037 0.000 1.086 307 L CA 1.001 55.769 54.840 -0.121 0.000 0.760 307 L CB -0.573 41.350 42.059 -0.227 0.000 0.910 307 L HN 0.358 nan 8.230 nan 0.000 0.437 308 A N 0.120 122.925 122.820 -0.025 0.000 1.972 308 A HA -0.232 4.113 4.320 0.042 0.000 0.219 308 A C 2.427 180.018 177.584 0.012 0.000 1.169 308 A CA 1.578 53.614 52.037 -0.001 0.000 0.635 308 A CB -0.550 18.468 19.000 0.029 0.000 0.810 308 A HN 0.348 nan 8.150 nan 0.000 0.446 309 R N -1.428 119.104 120.500 0.053 0.000 2.081 309 R HA -0.220 4.145 4.340 0.042 0.000 0.235 309 R C 2.150 178.456 176.300 0.010 0.000 1.131 309 R CA 1.920 58.022 56.100 0.003 0.000 0.960 309 R CB -0.447 29.873 30.300 0.033 0.000 0.856 309 R HN 0.674 nan 8.270 nan 0.000 0.436 310 H N 0.402 119.432 119.070 -0.066 0.000 2.353 310 H HA -0.047 4.532 4.556 0.037 0.000 0.300 310 H C 1.928 177.208 175.328 -0.080 0.000 1.090 310 H CA 1.817 57.823 56.048 -0.071 0.000 1.327 310 H CB -0.188 29.529 29.762 -0.075 0.000 1.383 310 H HN 0.149 nan 8.280 nan 0.000 0.508 311 L N -0.612 120.554 121.223 -0.095 0.000 2.042 311 L HA -0.251 4.114 4.340 0.042 0.000 0.210 311 L C 2.480 179.249 176.870 -0.168 0.000 1.076 311 L CA 1.678 56.424 54.840 -0.157 0.000 0.749 311 L CB -0.350 41.640 42.059 -0.116 0.000 0.893 311 L HN 0.423 nan 8.230 nan 0.000 0.432 312 M N -1.405 118.116 119.600 -0.132 0.000 2.132 312 M HA -0.171 4.334 4.480 0.042 0.000 0.263 312 M C 2.265 178.485 176.300 -0.134 0.000 1.065 312 M CA 1.819 57.045 55.300 -0.122 0.000 1.122 312 M CB -0.589 31.942 32.600 -0.115 0.000 1.365 312 M HN 0.189 nan 8.290 nan 0.000 0.411 313 T N 1.433 115.897 114.554 -0.150 0.000 2.720 313 T HA -0.123 4.252 4.350 0.042 0.000 0.268 313 T C 1.758 176.345 174.700 -0.189 0.000 1.037 313 T CA 1.169 63.179 62.100 -0.151 0.000 1.144 313 T CB -0.358 68.432 68.868 -0.131 0.000 0.864 313 T HN 0.327 nan 8.240 nan 0.000 0.444 314 L N 0.758 121.813 121.223 -0.280 0.000 2.362 314 L HA -0.012 4.353 4.340 0.042 0.000 0.219 314 L C 2.548 179.329 176.870 -0.148 0.000 1.134 314 L CA 0.335 55.024 54.840 -0.252 0.000 0.807 314 L CB -0.507 41.361 42.059 -0.318 0.000 0.927 314 L HN 0.143 nan 8.230 nan 0.000 0.447 315 V N 0.152 119.990 119.914 -0.126 0.000 2.568 315 V HA -0.282 3.863 4.120 0.042 0.000 0.253 315 V C 2.403 178.459 176.094 -0.064 0.000 1.072 315 V CA 1.424 63.673 62.300 -0.085 0.000 1.084 315 V CB -0.113 31.665 31.823 -0.075 0.000 0.676 315 V HN 0.384 nan 8.190 nan 0.000 0.469 316 M N -1.008 118.550 119.600 -0.070 0.000 2.374 316 M HA -0.066 4.439 4.480 0.042 0.000 0.264 316 M C 1.745 178.016 176.300 -0.047 0.000 1.067 316 M CA 1.159 56.428 55.300 -0.052 0.000 1.103 316 M CB -1.350 31.219 32.600 -0.052 0.000 1.402 316 M HN 0.372 nan 8.290 nan 0.000 0.444 317 D N 0.821 121.188 120.400 -0.055 0.000 2.075 317 D HA -0.081 4.584 4.640 0.042 0.000 0.196 317 D C -0.664 175.616 176.300 -0.033 0.000 0.985 317 D CA 1.509 55.482 54.000 -0.045 0.000 0.834 317 D CB -1.358 39.413 40.800 -0.049 0.000 0.987 317 D HN 0.196 nan 8.370 nan 0.000 0.452 318 P HA -0.087 nan 4.420 nan 0.000 0.218 318 P C 2.039 179.333 177.300 -0.009 0.000 1.149 318 P CA 0.807 63.903 63.100 -0.007 0.000 0.817 318 P CB 0.017 31.724 31.700 0.012 0.000 0.785 319 L N -0.469 120.745 121.223 -0.015 0.000 1.989 319 L HA -0.223 4.142 4.340 0.042 0.000 0.211 319 L C 3.028 179.887 176.870 -0.017 0.000 1.071 319 L CA 1.851 56.684 54.840 -0.013 0.000 0.749 319 L CB -1.127 40.922 42.059 -0.017 0.000 0.890 319 L HN -0.025 nan 8.230 nan 0.000 0.431 320 Q N -0.989 118.796 119.800 -0.024 0.000 2.084 320 Q HA -0.197 4.168 4.340 0.042 0.000 0.202 320 Q C 2.182 178.159 176.000 -0.039 0.000 0.978 320 Q CA 2.103 57.889 55.803 -0.028 0.000 0.844 320 Q CB -0.256 28.463 28.738 -0.032 0.000 0.898 320 Q HN 0.492 nan 8.270 nan 0.000 0.426 321 T N 0.810 115.337 114.554 -0.044 0.000 2.652 321 T HA -0.207 4.169 4.350 0.042 0.000 0.267 321 T C 1.868 176.530 174.700 -0.064 0.000 1.039 321 T CA 1.445 63.507 62.100 -0.062 0.000 1.153 321 T CB -0.347 68.489 68.868 -0.054 0.000 0.863 321 T HN 0.427 nan 8.240 nan 0.000 0.428 322 A N 0.926 123.723 122.820 -0.039 0.000 1.969 322 A HA -0.054 4.291 4.320 0.042 0.000 0.218 322 A C 2.574 180.143 177.584 -0.024 0.000 1.169 322 A CA 1.774 53.793 52.037 -0.030 0.000 0.635 322 A CB -0.732 18.265 19.000 -0.006 0.000 0.810 322 A HN 0.430 nan 8.150 nan 0.000 0.445 323 S N -0.888 114.801 115.700 -0.018 0.000 2.447 323 S HA -0.063 4.432 4.470 0.042 0.000 0.233 323 S C 1.407 176.014 174.600 0.012 0.000 1.006 323 S CA 1.457 59.656 58.200 -0.003 0.000 0.957 323 S CB -0.176 63.023 63.200 -0.000 0.000 0.773 323 S HN 0.945 nan 8.310 nan 0.000 0.507 324 V N -1.441 118.461 119.914 -0.020 0.000 3.159 324 V HA 0.380 4.525 4.120 0.042 0.000 0.333 324 V C -0.145 175.834 176.094 -0.191 0.000 1.424 324 V CA -0.487 61.799 62.300 -0.024 0.000 1.125 324 V CB -0.010 31.780 31.823 -0.056 0.000 1.075 324 V HN 0.072 nan 8.190 nan 0.000 0.482 325 Q N 2.199 121.932 119.800 -0.111 0.000 2.300 325 Q HA 0.163 4.528 4.340 0.042 0.000 0.262 325 Q C -0.950 175.072 176.000 0.036 0.000 1.109 325 Q CA 0.196 55.926 55.803 -0.122 0.000 0.905 325 Q CB 0.569 29.259 28.738 -0.080 0.000 1.280 325 Q HN 0.696 nan 8.270 nan 0.000 0.426 326 W N 4.140 125.385 121.300 -0.091 0.000 2.345 326 W HA 0.107 4.797 4.660 0.049 0.000 0.308 326 W C 0.729 177.229 176.519 -0.032 0.000 1.273 326 W CA -1.041 56.203 57.345 -0.168 0.000 1.243 326 W CB -0.782 28.643 29.460 -0.059 0.000 1.260 326 W HN 0.601 nan 8.180 nan 0.000 0.509 327 F N 0.158 120.225 119.950 0.195 0.000 2.271 327 F HA -0.429 4.123 4.527 0.041 0.000 0.306 327 F C 1.626 177.466 175.800 0.066 0.000 1.484 327 F CA 1.667 59.728 58.000 0.102 0.000 1.166 327 F CB -1.139 37.916 39.000 0.092 0.000 3.762 327 F HN 0.236 nan 8.300 nan 0.000 0.149 328 E N 1.017 121.392 120.200 0.291 0.000 2.489 328 E HA 0.213 4.589 4.350 0.042 0.000 0.193 328 E C -0.097 176.553 176.600 0.083 0.000 1.057 328 E CA 0.574 57.057 56.400 0.138 0.000 0.866 328 E CB 0.330 30.092 29.700 0.102 0.000 0.916 328 E HN 0.316 nan 8.360 nan 0.000 0.500 329 R N -0.130 120.432 120.500 0.104 0.000 7.319 329 R HA -0.010 4.355 4.340 0.042 0.000 0.243 329 R C -1.651 174.676 176.300 0.046 0.000 0.863 329 R CA 0.144 56.263 56.100 0.033 0.000 1.806 329 R CB -0.678 29.626 30.300 0.007 0.000 1.152 329 R HN 0.204 nan 8.270 nan 0.000 0.894 330 T N 0.854 115.386 114.554 -0.037 0.000 2.912 330 T HA 0.455 4.830 4.350 0.042 0.000 0.288 330 T C 0.912 175.543 174.700 -0.116 0.000 1.030 330 T CA -0.970 61.075 62.100 -0.092 0.000 1.020 330 T CB 1.544 70.249 68.868 -0.273 0.000 1.056 330 T HN 0.343 nan 8.240 nan 0.000 0.480 331 L N 1.904 123.068 121.223 -0.098 0.000 2.627 331 L HA 0.096 4.461 4.340 0.042 0.000 0.233 331 L C 1.651 178.459 176.870 -0.104 0.000 1.144 331 L CA 0.927 55.716 54.840 -0.085 0.000 0.892 331 L CB -0.897 41.128 42.059 -0.056 0.000 1.039 331 L HN 0.861 nan 8.230 nan 0.000 0.442 332 D N -0.771 119.537 120.400 -0.153 0.000 2.363 332 D HA -0.168 4.497 4.640 0.042 0.000 0.226 332 D C 1.022 177.246 176.300 -0.127 0.000 1.020 332 D CA 0.382 54.291 54.000 -0.152 0.000 0.892 332 D CB -0.007 40.662 40.800 -0.219 0.000 0.900 332 D HN 0.385 nan 8.370 nan 0.000 0.531 333 D N 0.090 120.419 120.400 -0.118 0.000 2.333 333 D HA -0.089 4.576 4.640 0.042 0.000 0.208 333 D C 1.709 177.972 176.300 -0.062 0.000 0.984 333 D CA 0.255 54.199 54.000 -0.094 0.000 0.873 333 D CB -0.059 40.675 40.800 -0.112 0.000 0.935 333 D HN 0.130 nan 8.370 nan 0.000 0.521 334 S N 0.323 115.990 115.700 -0.054 0.000 2.335 334 S HA 0.015 4.510 4.470 0.042 0.000 0.217 334 S C 2.165 176.763 174.600 -0.004 0.000 1.032 334 S CA 1.410 59.595 58.200 -0.025 0.000 0.985 334 S CB -0.466 62.720 63.200 -0.023 0.000 0.896 334 S HN 0.358 nan 8.310 nan 0.000 0.445 335 A N 2.253 125.067 122.820 -0.010 0.000 1.902 335 A HA -0.131 4.214 4.320 0.042 0.000 0.217 335 A C 2.123 179.708 177.584 0.002 0.000 1.181 335 A CA 1.755 53.793 52.037 0.002 0.000 0.623 335 A CB -1.117 17.880 19.000 -0.005 0.000 0.818 335 A HN 0.702 nan 8.150 nan 0.000 0.443 336 N N -0.054 118.639 118.700 -0.012 0.000 2.043 336 N HA -0.180 4.585 4.740 0.042 0.000 0.193 336 N C 1.933 177.445 175.510 0.003 0.000 1.037 336 N CA 1.603 54.646 53.050 -0.011 0.000 0.851 336 N CB -0.239 38.231 38.487 -0.027 0.000 1.027 336 N HN 0.520 nan 8.380 nan 0.000 0.422 337 R N 0.440 120.946 120.500 0.009 0.000 2.152 337 R HA 0.026 4.391 4.340 0.042 0.000 0.232 337 R C 2.404 178.737 176.300 0.055 0.000 1.117 337 R CA 0.829 56.951 56.100 0.037 0.000 0.981 337 R CB -0.091 30.233 30.300 0.040 0.000 0.870 337 R HN 0.283 nan 8.270 nan 0.000 0.451 338 R N 0.216 120.744 120.500 0.047 0.000 2.127 338 R HA -0.106 4.259 4.340 0.042 0.000 0.238 338 R C 2.031 178.353 176.300 0.037 0.000 1.134 338 R CA 1.323 57.456 56.100 0.054 0.000 0.975 338 R CB -0.203 30.126 30.300 0.049 0.000 0.865 338 R HN 0.266 nan 8.270 nan 0.000 0.447 339 I N -0.238 120.347 120.570 0.026 0.000 2.364 339 I HA -0.226 3.969 4.170 0.042 0.000 0.241 339 I C 2.740 178.857 176.117 -0.001 0.000 1.082 339 I CA 0.772 62.083 61.300 0.018 0.000 1.401 339 I CB -0.384 37.630 38.000 0.024 0.000 1.126 339 I HN 0.307 nan 8.210 nan 0.000 0.429 340 C N 0.687 119.987 119.300 0.001 0.000 2.467 340 C HA 0.089 4.574 4.460 0.042 0.000 0.279 340 C C 2.571 177.550 174.990 -0.019 0.000 1.347 340 C CA -0.219 58.788 59.018 -0.019 0.000 1.748 340 C CB -1.335 26.388 27.740 -0.027 0.000 1.977 340 C HN 0.400 nan 8.230 nan 0.000 0.501 341 L N 1.879 123.118 121.223 0.027 0.000 2.005 341 L HA -0.010 4.355 4.340 0.042 0.000 0.207 341 L C 3.297 180.132 176.870 -0.058 0.000 1.072 341 L CA 1.714 56.621 54.840 0.110 0.000 0.744 341 L CB -1.049 41.144 42.059 0.223 0.000 0.895 341 L HN 0.380 nan 8.230 nan 0.000 0.433 342 A N 0.023 122.633 122.820 -0.349 0.000 1.883 342 A HA -0.237 4.109 4.320 0.042 0.000 0.217 342 A C 2.160 179.394 177.584 -0.584 0.000 1.186 342 A CA 1.862 53.246 52.037 -1.088 0.000 0.624 342 A CB -0.527 18.102 19.000 -0.619 0.000 0.822 342 A HN 0.472 nan 8.150 nan 0.000 0.444 343 E N -0.483 119.573 120.200 -0.240 0.000 2.150 343 E HA -0.046 4.329 4.350 0.042 0.000 0.193 343 E C 2.324 178.880 176.600 -0.074 0.000 0.985 343 E CA 0.716 57.057 56.400 -0.099 0.000 0.814 343 E CB -0.258 29.454 29.700 0.020 0.000 0.752 343 E HN 0.624 nan 8.360 nan 0.000 0.466 344 A N 0.866 123.621 122.820 -0.109 0.000 1.877 344 A HA -0.172 4.173 4.320 0.042 0.000 0.216 344 A C 1.863 179.319 177.584 -0.214 0.000 1.186 344 A CA 1.205 53.142 52.037 -0.166 0.000 0.620 344 A CB -0.713 18.162 19.000 -0.210 0.000 0.822 344 A HN 0.163 nan 8.150 nan 0.000 0.443 345 F N -0.200 119.659 119.950 -0.151 0.000 2.206 345 F HA -0.014 4.536 4.527 0.038 0.000 0.298 345 F C 2.085 177.845 175.800 -0.066 0.000 1.090 345 F CA 1.115 59.072 58.000 -0.070 0.000 1.323 345 F CB -0.308 38.723 39.000 0.052 0.000 1.028 345 F HN 0.081 nan 8.300 nan 0.000 0.492 346 L N -0.919 120.312 121.223 0.014 0.000 2.093 346 L HA -0.196 4.169 4.340 0.042 0.000 0.208 346 L C 2.323 179.200 176.870 0.011 0.000 1.085 346 L CA 1.412 56.263 54.840 0.017 0.000 0.755 346 L CB -1.035 41.003 42.059 -0.036 0.000 0.904 346 L HN 0.107 nan 8.230 nan 0.000 0.435 347 T N -0.146 114.395 114.554 -0.021 0.000 2.737 347 T HA -0.145 4.230 4.350 0.042 0.000 0.265 347 T C 2.049 176.713 174.700 -0.060 0.000 1.038 347 T CA 1.314 63.386 62.100 -0.047 0.000 1.144 347 T CB -0.244 68.613 68.868 -0.018 0.000 0.866 347 T HN 0.428 nan 8.240 nan 0.000 0.434 348 A N 1.569 124.348 122.820 -0.068 0.000 1.877 348 A HA -0.178 4.167 4.320 0.042 0.000 0.216 348 A C 2.066 179.640 177.584 -0.017 0.000 1.186 348 A CA 2.228 54.223 52.037 -0.070 0.000 0.620 348 A CB -1.003 17.920 19.000 -0.129 0.000 0.822 348 A HN 0.545 nan 8.150 nan 0.000 0.443 349 D N -0.997 119.425 120.400 0.036 0.000 2.106 349 D HA -0.147 4.518 4.640 0.042 0.000 0.191 349 D C 1.976 178.291 176.300 0.024 0.000 0.997 349 D CA 2.244 56.279 54.000 0.057 0.000 0.834 349 D CB -0.181 40.679 40.800 0.099 0.000 0.956 349 D HN 0.376 nan 8.370 nan 0.000 0.448 350 T N 0.034 114.595 114.554 0.012 0.000 2.684 350 T HA -0.150 4.225 4.350 0.042 0.000 0.267 350 T C 2.093 176.768 174.700 -0.043 0.000 1.036 350 T CA 1.198 63.296 62.100 -0.003 0.000 1.148 350 T CB -0.353 68.497 68.868 -0.031 0.000 0.863 350 T HN 0.205 nan 8.240 nan 0.000 0.436 351 I N 0.731 121.259 120.570 -0.070 0.000 2.127 351 I HA -0.171 4.024 4.170 0.042 0.000 0.241 351 I C 2.304 178.382 176.117 -0.065 0.000 1.075 351 I CA 1.398 62.649 61.300 -0.083 0.000 1.334 351 I CB -0.400 37.547 38.000 -0.088 0.000 1.040 351 I HN 0.202 nan 8.210 nan 0.000 0.405 352 L N 0.294 121.490 121.223 -0.046 0.000 2.141 352 L HA -0.187 4.178 4.340 0.042 0.000 0.209 352 L C 2.249 179.100 176.870 -0.031 0.000 1.094 352 L CA 0.976 55.793 54.840 -0.039 0.000 0.763 352 L CB -0.803 41.240 42.059 -0.026 0.000 0.908 352 L HN 0.340 nan 8.230 nan 0.000 0.437 353 N N -0.363 118.327 118.700 -0.017 0.000 2.120 353 N HA -0.133 4.632 4.740 0.042 0.000 0.188 353 N C 1.850 177.347 175.510 -0.022 0.000 1.024 353 N CA 1.865 54.910 53.050 -0.008 0.000 0.852 353 N CB -0.506 37.988 38.487 0.011 0.000 1.003 353 N HN 0.282 nan 8.380 nan 0.000 0.424 354 T N 1.532 116.066 114.554 -0.034 0.000 2.812 354 T HA -0.014 4.361 4.350 0.042 0.000 0.264 354 T C 1.930 176.587 174.700 -0.072 0.000 1.042 354 T CA 0.252 62.322 62.100 -0.049 0.000 1.140 354 T CB -0.250 68.582 68.868 -0.059 0.000 0.870 354 T HN 0.007 nan 8.240 nan 0.000 0.445 355 L N 1.543 122.716 121.223 -0.083 0.000 2.083 355 L HA -0.057 4.308 4.340 0.042 0.000 0.209 355 L C 2.580 179.399 176.870 -0.085 0.000 1.083 355 L CA 1.738 56.515 54.840 -0.104 0.000 0.752 355 L CB -1.020 40.976 42.059 -0.106 0.000 0.899 355 L HN 0.214 nan 8.230 nan 0.000 0.433 356 Q N -0.245 119.519 119.800 -0.059 0.000 2.061 356 Q HA -0.267 4.098 4.340 0.042 0.000 0.204 356 Q C 2.158 178.131 176.000 -0.045 0.000 0.984 356 Q CA 2.396 58.173 55.803 -0.042 0.000 0.846 356 Q CB -0.580 28.142 28.738 -0.026 0.000 0.902 356 Q HN 0.621 nan 8.270 nan 0.000 0.421 357 N N -0.554 118.119 118.700 -0.045 0.000 2.166 357 N HA -0.148 4.617 4.740 0.042 0.000 0.186 357 N C 1.778 177.247 175.510 -0.069 0.000 1.019 357 N CA 1.432 54.455 53.050 -0.044 0.000 0.856 357 N CB -0.067 38.400 38.487 -0.034 0.000 0.993 357 N HN 0.396 nan 8.380 nan 0.000 0.426 358 I N 0.728 121.242 120.570 -0.094 0.000 2.252 358 I HA -0.221 3.974 4.170 0.042 0.000 0.245 358 I C 2.385 178.412 176.117 -0.150 0.000 1.102 358 I CA 1.136 62.356 61.300 -0.132 0.000 1.385 358 I CB -0.275 37.628 38.000 -0.162 0.000 1.064 358 I HN 0.207 nan 8.210 nan 0.000 0.414 359 S N -0.160 115.463 115.700 -0.129 0.000 2.515 359 S HA -0.048 4.447 4.470 0.042 0.000 0.231 359 S C 0.811 175.358 174.600 -0.087 0.000 0.987 359 S CA 0.301 58.424 58.200 -0.129 0.000 0.936 359 S CB -0.485 62.668 63.200 -0.078 0.000 0.766 359 S HN 0.414 nan 8.310 nan 0.000 0.528 360 E N 1.488 121.648 120.200 -0.065 0.000 2.026 360 E HA 0.476 4.852 4.350 0.042 0.000 0.253 360 E C 0.150 176.724 176.600 -0.042 0.000 1.056 360 E CA -0.167 56.214 56.400 -0.031 0.000 0.927 360 E CB 0.141 29.832 29.700 -0.016 0.000 1.172 360 E HN 0.557 nan 8.360 nan 0.000 0.445 361 G N 2.974 111.748 108.800 -0.043 0.000 2.427 361 G HA2 -0.234 3.751 3.960 0.042 0.000 0.193 361 G HA3 -0.234 3.751 3.960 0.042 0.000 0.193 361 G C -0.008 174.805 174.900 -0.145 0.000 1.086 361 G CA -0.751 44.317 45.100 -0.054 0.000 0.818 361 G HN 0.451 nan 8.290 nan 0.000 0.490 362 L N 0.480 121.594 121.223 -0.181 0.000 2.513 362 L HA 0.242 4.607 4.340 0.042 0.000 0.272 362 L C 1.009 177.780 176.870 -0.165 0.000 1.187 362 L CA -0.160 54.526 54.840 -0.256 0.000 0.895 362 L CB 0.861 42.615 42.059 -0.507 0.000 1.147 362 L HN 0.092 nan 8.230 nan 0.000 0.483 363 V N 5.595 125.349 119.914 -0.266 0.000 2.432 363 V HA 0.254 4.399 4.120 0.042 0.000 0.275 363 V C 0.277 176.185 176.094 -0.309 0.000 1.043 363 V CA -0.426 61.672 62.300 -0.337 0.000 0.925 363 V CB 1.584 33.061 31.823 -0.576 0.000 0.985 363 V HN 0.396 nan 8.190 nan 0.000 0.466 364 V N 5.402 125.150 119.914 -0.277 0.000 2.667 364 V HA 0.466 4.612 4.120 0.042 0.000 0.308 364 V C -1.065 174.800 176.094 -0.381 0.000 1.048 364 V CA -0.674 61.528 62.300 -0.164 0.000 0.928 364 V CB 1.954 33.813 31.823 0.059 0.000 1.004 364 V HN 0.776 nan 8.190 nan 0.000 0.444 365 Y N 4.311 124.668 120.300 0.095 0.000 2.863 365 Y HA 0.350 4.925 4.550 0.042 0.000 0.348 365 Y C -1.862 174.077 175.900 0.066 0.000 1.028 365 Y CA -2.267 55.882 58.100 0.081 0.000 1.213 365 Y CB 1.061 39.569 38.460 0.080 0.000 1.120 365 Y HN 0.488 nan 8.280 nan 0.000 0.598 366 P HA -0.233 nan 4.420 nan 0.000 0.217 366 P C 1.404 178.760 177.300 0.094 0.000 1.151 366 P CA 1.621 64.775 63.100 0.091 0.000 0.849 366 P CB 0.480 32.213 31.700 0.055 0.000 0.787 367 K N -0.913 119.557 120.400 0.116 0.000 2.228 367 K HA 0.032 4.377 4.320 0.042 0.000 0.202 367 K C 1.942 178.592 176.600 0.082 0.000 1.051 367 K CA 0.716 57.054 56.287 0.086 0.000 0.960 367 K CB -0.775 31.775 32.500 0.084 0.000 0.743 367 K HN 0.118 nan 8.250 nan 0.000 0.458 368 V N 1.763 121.745 119.914 0.114 0.000 2.379 368 V HA -0.186 3.959 4.120 0.042 0.000 0.245 368 V C 2.294 178.442 176.094 0.091 0.000 1.044 368 V CA 1.300 63.656 62.300 0.093 0.000 1.036 368 V CB -0.351 31.532 31.823 0.100 0.000 0.664 368 V HN 0.174 nan 8.190 nan 0.000 0.453 369 I N -0.079 120.554 120.570 0.105 0.000 2.226 369 I HA -0.255 3.940 4.170 0.042 0.000 0.245 369 I C 2.559 178.699 176.117 0.038 0.000 1.100 369 I CA 1.717 63.063 61.300 0.077 0.000 1.374 369 I CB -0.382 37.663 38.000 0.074 0.000 1.057 369 I HN 0.377 nan 8.210 nan 0.000 0.413 370 E N 0.408 120.629 120.200 0.034 0.000 2.077 370 E HA -0.267 4.108 4.350 0.042 0.000 0.193 370 E C 2.248 178.851 176.600 0.004 0.000 0.989 370 E CA 1.016 57.422 56.400 0.011 0.000 0.800 370 E CB -0.122 29.586 29.700 0.014 0.000 0.746 370 E HN 0.326 nan 8.360 nan 0.000 0.452 371 R N 1.268 121.779 120.500 0.019 0.000 2.083 371 R HA -0.183 4.182 4.340 0.042 0.000 0.237 371 R C 2.363 178.670 176.300 0.012 0.000 1.137 371 R CA 1.769 57.877 56.100 0.014 0.000 0.951 371 R CB -0.102 30.213 30.300 0.025 0.000 0.851 371 R HN -0.030 nan 8.270 nan 0.000 0.434 372 R N 0.295 120.810 120.500 0.026 0.000 2.081 372 R HA -0.090 4.275 4.340 0.042 0.000 0.235 372 R C 2.241 178.539 176.300 -0.004 0.000 1.131 372 R CA 1.864 57.982 56.100 0.030 0.000 0.960 372 R CB -0.297 30.041 30.300 0.063 0.000 0.856 372 R HN 0.318 nan 8.270 nan 0.000 0.436 373 I N 0.494 121.046 120.570 -0.029 0.000 2.163 373 I HA -0.312 3.884 4.170 0.042 0.000 0.243 373 I C 2.473 178.539 176.117 -0.086 0.000 1.085 373 I CA 1.478 62.735 61.300 -0.071 0.000 1.347 373 I CB -0.285 37.668 38.000 -0.078 0.000 1.044 373 I HN 0.244 nan 8.210 nan 0.000 0.408 374 R N 0.241 120.701 120.500 -0.067 0.000 2.127 374 R HA -0.184 4.181 4.340 0.042 0.000 0.238 374 R C 2.198 178.450 176.300 -0.080 0.000 1.134 374 R CA 1.042 57.094 56.100 -0.080 0.000 0.975 374 R CB -0.196 30.070 30.300 -0.055 0.000 0.865 374 R HN 0.471 nan 8.270 nan 0.000 0.447 375 Q N -0.193 119.584 119.800 -0.038 0.000 2.245 375 Q HA -0.061 4.304 4.340 0.042 0.000 0.201 375 Q C 1.389 177.415 176.000 0.042 0.000 0.955 375 Q CA 1.024 56.826 55.803 -0.003 0.000 0.870 375 Q CB 0.402 29.159 28.738 0.031 0.000 0.945 375 Q HN 0.361 nan 8.270 nan 0.000 0.461 376 E N -0.207 120.006 120.200 0.022 0.000 2.364 376 E HA 0.015 4.391 4.350 0.042 0.000 0.203 376 E C 1.921 178.526 176.600 0.008 0.000 0.888 376 E CA -0.093 56.361 56.400 0.090 0.000 0.989 376 E CB -0.061 29.668 29.700 0.048 0.000 0.985 376 E HN 0.104 nan 8.360 nan 0.000 0.499 377 L N 2.234 123.380 121.223 -0.130 0.000 2.079 377 L HA -0.079 4.286 4.340 0.042 0.000 0.210 377 L C -1.024 175.675 176.870 -0.286 0.000 1.081 377 L CA 1.957 56.637 54.840 -0.267 0.000 0.752 377 L CB -1.195 40.632 42.059 -0.386 0.000 0.896 377 L HN 0.000 nan 8.230 nan 0.000 0.433 378 P HA -0.193 nan 4.420 nan 0.000 0.216 378 P C 1.432 178.532 177.300 -0.334 0.000 1.150 378 P CA 1.660 64.541 63.100 -0.365 0.000 0.843 378 P CB -0.177 31.223 31.700 -0.500 0.000 0.787 379 F N -1.874 118.017 119.950 -0.099 0.000 2.365 379 F HA 0.004 4.556 4.527 0.042 0.000 0.300 379 F C 2.215 177.975 175.800 -0.065 0.000 1.090 379 F CA 1.144 59.102 58.000 -0.070 0.000 1.408 379 F CB -0.999 37.968 39.000 -0.054 0.000 1.060 379 F HN -0.116 nan 8.300 nan 0.000 0.534 380 M N -1.139 118.492 119.600 0.051 0.000 2.502 380 M HA 0.199 4.704 4.480 0.042 0.000 0.243 380 M C 1.582 177.893 176.300 0.018 0.000 1.130 380 M CA 0.363 55.674 55.300 0.018 0.000 1.055 380 M CB 0.070 32.650 32.600 -0.034 0.000 1.457 380 M HN 0.055 nan 8.290 nan 0.000 0.488 381 A N 0.191 122.989 122.820 -0.037 0.000 2.423 381 A HA 0.111 4.456 4.320 0.042 0.000 0.246 381 A C 1.881 179.504 177.584 0.065 0.000 1.278 381 A CA 0.418 52.497 52.037 0.069 0.000 0.903 381 A CB -0.764 18.211 19.000 -0.041 0.000 0.997 381 A HN 0.480 nan 8.150 nan 0.000 0.510 382 T N -2.223 112.342 114.554 0.019 0.000 2.867 382 T HA -0.162 4.213 4.350 0.042 0.000 0.268 382 T C 1.578 176.267 174.700 -0.019 0.000 1.057 382 T CA 1.632 63.718 62.100 -0.023 0.000 1.136 382 T CB -0.147 68.691 68.868 -0.049 0.000 0.874 382 T HN 0.342 nan 8.240 nan 0.000 0.466 383 E N 1.853 122.061 120.200 0.013 0.000 2.152 383 E HA -0.046 4.329 4.350 0.042 0.000 0.192 383 E C 2.025 178.651 176.600 0.043 0.000 0.983 383 E CA 1.054 57.465 56.400 0.019 0.000 0.818 383 E CB -0.734 28.990 29.700 0.040 0.000 0.758 383 E HN 0.543 nan 8.360 nan 0.000 0.467 384 N N -0.128 118.618 118.700 0.077 0.000 2.166 384 N HA -0.109 4.656 4.740 0.042 0.000 0.186 384 N C 1.425 176.974 175.510 0.065 0.000 1.019 384 N CA 1.343 54.437 53.050 0.074 0.000 0.856 384 N CB -0.084 38.490 38.487 0.144 0.000 0.993 384 N HN 0.203 nan 8.380 nan 0.000 0.426 385 I N 0.632 121.237 120.570 0.059 0.000 2.202 385 I HA -0.168 4.027 4.170 0.042 0.000 0.242 385 I C 2.010 178.185 176.117 0.097 0.000 1.091 385 I CA 0.945 62.279 61.300 0.057 0.000 1.368 385 I CB -0.966 37.033 38.000 -0.002 0.000 1.058 385 I HN 0.155 nan 8.210 nan 0.000 0.410 386 I N 0.246 120.864 120.570 0.079 0.000 2.163 386 I HA -0.354 3.842 4.170 0.042 0.000 0.243 386 I C 2.761 178.922 176.117 0.075 0.000 1.085 386 I CA 1.500 62.855 61.300 0.092 0.000 1.347 386 I CB -0.292 37.735 38.000 0.045 0.000 1.044 386 I HN 0.165 nan 8.210 nan 0.000 0.408 387 M N 0.193 119.824 119.600 0.052 0.000 2.082 387 M HA -0.285 4.220 4.480 0.042 0.000 0.258 387 M C 2.518 178.838 176.300 0.033 0.000 1.069 387 M CA 2.294 57.616 55.300 0.037 0.000 1.102 387 M CB -0.505 32.109 32.600 0.024 0.000 1.336 387 M HN 0.387 nan 8.290 nan 0.000 0.404 388 A N -0.087 122.758 122.820 0.041 0.000 1.877 388 A HA -0.166 4.179 4.320 0.042 0.000 0.216 388 A C 2.103 179.704 177.584 0.029 0.000 1.186 388 A CA 1.446 53.503 52.037 0.032 0.000 0.620 388 A CB -0.497 18.529 19.000 0.044 0.000 0.822 388 A HN 0.402 nan 8.150 nan 0.000 0.443 389 M N -0.414 119.221 119.600 0.058 0.000 2.159 389 M HA -0.093 4.412 4.480 0.042 0.000 0.263 389 M C 2.216 178.518 176.300 0.004 0.000 1.063 389 M CA 1.201 56.520 55.300 0.031 0.000 1.110 389 M CB -1.114 31.544 32.600 0.096 0.000 1.374 389 M HN 0.261 nan 8.290 nan 0.000 0.411 390 V N 0.400 120.331 119.914 0.028 0.000 2.358 390 V HA -0.268 3.877 4.120 0.042 0.000 0.246 390 V C 2.430 178.526 176.094 0.002 0.000 1.047 390 V CA 1.874 64.186 62.300 0.019 0.000 1.035 390 V CB -0.804 31.039 31.823 0.034 0.000 0.658 390 V HN 0.479 nan 8.190 nan 0.000 0.452 391 K N 0.745 121.145 120.400 0.001 0.000 2.103 391 K HA -0.170 4.175 4.320 0.042 0.000 0.207 391 K C 2.022 178.611 176.600 -0.019 0.000 1.048 391 K CA 1.620 57.902 56.287 -0.008 0.000 0.930 391 K CB -0.344 32.151 32.500 -0.009 0.000 0.716 391 K HN 0.423 nan 8.250 nan 0.000 0.444 392 A N 0.140 122.945 122.820 -0.026 0.000 2.121 392 A HA 0.091 4.436 4.320 0.042 0.000 0.218 392 A C 1.384 178.940 177.584 -0.047 0.000 1.154 392 A CA 1.205 53.218 52.037 -0.041 0.000 0.679 392 A CB -0.491 18.475 19.000 -0.057 0.000 0.795 392 A HN 0.632 nan 8.150 nan 0.000 0.458 393 G N -2.542 106.235 108.800 -0.039 0.000 2.151 393 G HA2 0.144 4.129 3.960 0.042 0.000 0.156 393 G HA3 0.144 4.129 3.960 0.042 0.000 0.156 393 G C 0.528 175.398 174.900 -0.049 0.000 1.017 393 G CA 0.128 45.205 45.100 -0.038 0.000 0.686 393 G HN 1.206 nan 8.290 nan 0.000 0.503 394 G N -0.527 108.242 108.800 -0.052 0.000 2.531 394 G HA2 0.705 4.690 3.960 0.042 0.000 0.281 394 G HA3 0.705 4.690 3.960 0.042 0.000 0.281 394 G C 0.168 175.068 174.900 0.000 0.000 1.382 394 G CA 0.469 45.533 45.100 -0.060 0.000 1.045 394 G HN 1.319 nan 8.290 nan 0.000 0.533 395 S N -1.761 113.964 115.700 0.042 0.000 2.454 395 S HA 0.289 4.784 4.470 0.042 0.000 0.306 395 S C 1.257 175.921 174.600 0.106 0.000 1.100 395 S CA -0.560 57.681 58.200 0.068 0.000 1.087 395 S CB 1.680 64.922 63.200 0.070 0.000 1.019 395 S HN 0.657 nan 8.310 nan 0.000 0.480 396 R N 2.288 122.843 120.500 0.093 0.000 2.115 396 R HA -0.094 4.271 4.340 0.042 0.000 0.230 396 R C 1.858 178.247 176.300 0.149 0.000 1.111 396 R CA 1.694 57.866 56.100 0.121 0.000 0.976 396 R CB -0.254 30.108 30.300 0.104 0.000 0.870 396 R HN 0.708 nan 8.270 nan 0.000 0.445 397 Q N 0.857 120.720 119.800 0.106 0.000 2.049 397 Q HA -0.110 4.255 4.340 0.042 0.000 0.198 397 Q C 1.225 177.275 176.000 0.084 0.000 0.971 397 Q CA 2.073 57.927 55.803 0.085 0.000 0.833 397 Q CB -0.078 28.686 28.738 0.042 0.000 0.896 397 Q HN 0.320 nan 8.270 nan 0.000 0.434 398 D N -0.669 119.780 120.400 0.081 0.000 2.117 398 D HA -0.160 4.505 4.640 0.042 0.000 0.197 398 D C 1.938 178.230 176.300 -0.012 0.000 0.987 398 D CA 1.270 55.298 54.000 0.046 0.000 0.829 398 D CB -0.788 40.084 40.800 0.121 0.000 0.961 398 D HN 0.352 nan 8.370 nan 0.000 0.460 399 C N 0.166 119.549 119.300 0.138 0.000 2.429 399 C HA -0.141 4.345 4.460 0.042 0.000 0.277 399 C C 2.583 177.650 174.990 0.129 0.000 1.262 399 C CA 0.976 60.090 59.018 0.159 0.000 1.733 399 C CB -1.204 26.715 27.740 0.298 0.000 2.010 399 C HN 0.424 nan 8.230 nan 0.000 0.483 400 H N -0.193 118.917 119.070 0.067 0.000 2.352 400 H HA -0.150 4.432 4.556 0.042 0.000 0.299 400 H C 2.178 177.522 175.328 0.027 0.000 1.097 400 H CA 2.261 58.345 56.048 0.059 0.000 1.311 400 H CB 0.049 29.840 29.762 0.048 0.000 1.377 400 H HN 0.510 nan 8.280 nan 0.000 0.504 401 E N 0.181 120.475 120.200 0.156 0.000 2.051 401 E HA -0.177 4.198 4.350 0.042 0.000 0.192 401 E C 2.186 178.795 176.600 0.015 0.000 0.991 401 E CA 1.272 57.708 56.400 0.058 0.000 0.799 401 E CB 0.057 29.752 29.700 -0.008 0.000 0.748 401 E HN 0.173 nan 8.360 nan 0.000 0.449 402 K N 0.342 120.692 120.400 -0.082 0.000 2.063 402 K HA -0.093 4.252 4.320 0.042 0.000 0.208 402 K C 1.783 178.440 176.600 0.095 0.000 1.048 402 K CA 1.215 57.438 56.287 -0.105 0.000 0.928 402 K CB -0.212 32.000 32.500 -0.481 0.000 0.713 402 K HN 0.138 nan 8.250 nan 0.000 0.442 403 I N -0.107 120.554 120.570 0.152 0.000 2.353 403 I HA -0.239 3.956 4.170 0.042 0.000 0.248 403 I C 2.235 178.408 176.117 0.092 0.000 1.119 403 I CA 0.916 62.290 61.300 0.123 0.000 1.417 403 I CB -0.201 37.838 38.000 0.066 0.000 1.078 403 I HN 0.134 nan 8.210 nan 0.000 0.421 404 R N 0.236 120.805 120.500 0.115 0.000 2.112 404 R HA -0.217 4.148 4.340 0.042 0.000 0.242 404 R C 2.406 178.757 176.300 0.085 0.000 1.137 404 R CA 1.995 58.164 56.100 0.115 0.000 0.944 404 R CB -0.819 29.555 30.300 0.124 0.000 0.857 404 R HN 0.281 nan 8.270 nan 0.000 0.435 405 V N 1.220 121.174 119.914 0.067 0.000 2.307 405 V HA -0.181 3.964 4.120 0.042 0.000 0.245 405 V C 2.018 178.149 176.094 0.062 0.000 1.045 405 V CA 1.685 64.016 62.300 0.053 0.000 1.024 405 V CB -0.249 31.594 31.823 0.034 0.000 0.651 405 V HN 0.304 nan 8.190 nan 0.000 0.449 406 L N 0.253 121.517 121.223 0.068 0.000 2.131 406 L HA -0.134 4.231 4.340 0.042 0.000 0.210 406 L C 2.811 179.719 176.870 0.064 0.000 1.092 406 L CA 1.921 56.797 54.840 0.059 0.000 0.759 406 L CB -0.785 41.307 42.059 0.056 0.000 0.903 406 L HN 0.490 nan 8.230 nan 0.000 0.435 407 S N -0.579 115.177 115.700 0.092 0.000 2.368 407 S HA -0.255 4.241 4.470 0.042 0.000 0.224 407 S C 2.010 176.746 174.600 0.227 0.000 1.029 407 S CA 1.402 59.718 58.200 0.193 0.000 0.988 407 S CB -0.098 63.234 63.200 0.219 0.000 0.838 407 S HN 0.443 nan 8.310 nan 0.000 0.462 408 Q N 0.116 119.992 119.800 0.126 0.000 2.084 408 Q HA -0.188 4.177 4.340 0.042 0.000 0.202 408 Q C 2.302 178.350 176.000 0.079 0.000 0.978 408 Q CA 1.676 57.528 55.803 0.081 0.000 0.844 408 Q CB -0.184 28.584 28.738 0.049 0.000 0.898 408 Q HN 0.686 nan 8.270 nan 0.000 0.426 409 Q N -0.339 119.506 119.800 0.075 0.000 2.061 409 Q HA -0.191 4.175 4.340 0.042 0.000 0.204 409 Q C 2.077 178.124 176.000 0.079 0.000 0.984 409 Q CA 1.586 57.426 55.803 0.061 0.000 0.846 409 Q CB -0.227 28.539 28.738 0.048 0.000 0.902 409 Q HN 0.461 nan 8.270 nan 0.000 0.421 410 A N 1.093 123.981 122.820 0.113 0.000 1.877 410 A HA -0.145 4.200 4.320 0.042 0.000 0.216 410 A C 2.336 180.063 177.584 0.239 0.000 1.186 410 A CA 1.645 53.770 52.037 0.146 0.000 0.620 410 A CB -0.978 18.080 19.000 0.097 0.000 0.822 410 A HN 0.415 nan 8.150 nan 0.000 0.443 411 A N -0.870 122.121 122.820 0.285 0.000 1.917 411 A HA -0.164 4.181 4.320 0.042 0.000 0.219 411 A C 2.482 180.093 177.584 0.044 0.000 1.182 411 A CA 2.328 54.428 52.037 0.104 0.000 0.633 411 A CB -1.002 17.961 19.000 -0.062 0.000 0.819 411 A HN 0.528 nan 8.150 nan 0.000 0.448 412 S N -0.838 114.890 115.700 0.047 0.000 2.368 412 S HA -0.124 4.371 4.470 0.042 0.000 0.225 412 S C 1.925 176.543 174.600 0.030 0.000 1.030 412 S CA 1.481 59.697 58.200 0.026 0.000 0.999 412 S CB -0.504 62.711 63.200 0.025 0.000 0.844 412 S HN 0.328 nan 8.310 nan 0.000 0.459 413 V N 1.454 121.395 119.914 0.045 0.000 2.282 413 V HA -0.169 3.976 4.120 0.042 0.000 0.249 413 V C 2.406 178.523 176.094 0.038 0.000 1.057 413 V CA 2.002 64.325 62.300 0.039 0.000 1.032 413 V CB -0.776 31.072 31.823 0.043 0.000 0.645 413 V HN 0.407 nan 8.190 nan 0.000 0.447 414 V N -0.553 119.396 119.914 0.058 0.000 2.270 414 V HA -0.226 3.919 4.120 0.042 0.000 0.245 414 V C 2.391 178.495 176.094 0.017 0.000 1.043 414 V CA 2.056 64.386 62.300 0.050 0.000 1.014 414 V CB -0.629 31.245 31.823 0.086 0.000 0.645 414 V HN 0.506 nan 8.190 nan 0.000 0.447 415 K N -0.606 119.796 120.400 0.003 0.000 2.044 415 K HA -0.056 4.290 4.320 0.042 0.000 0.204 415 K C 2.287 178.882 176.600 -0.008 0.000 1.045 415 K CA 0.872 57.150 56.287 -0.014 0.000 0.951 415 K CB -0.174 32.306 32.500 -0.034 0.000 0.738 415 K HN 0.363 nan 8.250 nan 0.000 0.443 416 Q N 0.689 120.487 119.800 -0.003 0.000 2.187 416 Q HA -0.072 4.293 4.340 0.042 0.000 0.199 416 Q C 1.232 177.233 176.000 0.001 0.000 0.957 416 Q CA 1.292 57.094 55.803 -0.002 0.000 0.857 416 Q CB 0.236 28.974 28.738 0.000 0.000 0.929 416 Q HN 0.448 nan 8.270 nan 0.000 0.453 417 E N -0.822 119.382 120.200 0.006 0.000 2.473 417 E HA 0.212 4.587 4.350 0.042 0.000 0.204 417 E C 0.552 177.155 176.600 0.006 0.000 0.994 417 E CA 0.299 56.703 56.400 0.006 0.000 0.945 417 E CB 0.707 30.412 29.700 0.009 0.000 0.990 417 E HN 0.380 nan 8.360 nan 0.000 0.493 418 G N 1.865 110.669 108.800 0.007 0.000 2.179 418 G HA2 -0.280 3.706 3.960 0.042 0.000 0.257 418 G HA3 -0.280 3.706 3.960 0.042 0.000 0.257 418 G C 0.499 175.406 174.900 0.011 0.000 1.010 418 G CA 0.101 45.205 45.100 0.007 0.000 0.736 418 G HN 0.447 nan 8.290 nan 0.000 0.513 419 G N -1.066 107.744 108.800 0.016 0.000 2.543 419 G HA2 0.524 4.509 3.960 0.042 0.000 0.290 419 G HA3 0.524 4.509 3.960 0.042 0.000 0.290 419 G C -0.295 174.618 174.900 0.023 0.000 1.310 419 G CA -0.148 44.962 45.100 0.016 0.000 1.025 419 G HN 0.186 nan 8.290 nan 0.000 0.502 420 D N -0.487 119.923 120.400 0.017 0.000 2.329 420 D HA 0.120 4.785 4.640 0.042 0.000 0.246 420 D C 0.422 176.734 176.300 0.020 0.000 1.111 420 D CA -0.277 53.732 54.000 0.016 0.000 0.941 420 D CB 0.769 41.571 40.800 0.002 0.000 1.169 420 D HN 0.246 nan 8.370 nan 0.000 0.441 421 N N 1.168 119.880 118.700 0.019 0.000 2.452 421 N HA -0.030 4.736 4.740 0.042 0.000 0.266 421 N C -0.427 175.042 175.510 -0.068 0.000 1.209 421 N CA -0.111 52.934 53.050 -0.008 0.000 0.929 421 N CB 0.409 38.871 38.487 -0.042 0.000 1.063 421 N HN 0.259 nan 8.380 nan 0.000 0.472 422 D N 2.780 123.140 120.400 -0.067 0.000 2.538 422 D HA -0.011 4.654 4.640 0.042 0.000 0.231 422 D C 1.375 177.613 176.300 -0.103 0.000 1.229 422 D CA -0.429 53.528 54.000 -0.071 0.000 0.828 422 D CB -0.295 40.485 40.800 -0.033 0.000 1.035 422 D HN 0.342 nan 8.370 nan 0.000 0.495 423 L N 0.491 121.604 121.223 -0.183 0.000 2.042 423 L HA -0.109 4.256 4.340 0.042 0.000 0.210 423 L C 1.644 178.401 176.870 -0.189 0.000 1.076 423 L CA 1.654 56.364 54.840 -0.217 0.000 0.749 423 L CB -0.387 41.426 42.059 -0.411 0.000 0.893 423 L HN 0.042 nan 8.230 nan 0.000 0.432 424 I N -0.253 120.205 120.570 -0.188 0.000 2.226 424 I HA -0.254 3.941 4.170 0.042 0.000 0.245 424 I C 2.540 178.596 176.117 -0.102 0.000 1.100 424 I CA 1.440 62.650 61.300 -0.150 0.000 1.374 424 I CB -1.436 36.487 38.000 -0.128 0.000 1.057 424 I HN 0.496 nan 8.210 nan 0.000 0.413 425 E N 1.134 121.283 120.200 -0.085 0.000 2.110 425 E HA -0.211 4.164 4.350 0.042 0.000 0.193 425 E C 2.375 178.951 176.600 -0.039 0.000 0.988 425 E CA 1.077 57.442 56.400 -0.058 0.000 0.804 425 E CB 0.089 29.760 29.700 -0.048 0.000 0.745 425 E HN 0.382 nan 8.360 nan 0.000 0.458 426 R N 0.053 120.530 120.500 -0.039 0.000 2.075 426 R HA -0.078 4.287 4.340 0.042 0.000 0.232 426 R C 2.478 178.795 176.300 0.029 0.000 1.126 426 R CA 1.467 57.566 56.100 -0.002 0.000 0.963 426 R CB -0.267 30.030 30.300 -0.005 0.000 0.858 426 R HN 0.285 nan 8.270 nan 0.000 0.435 427 I N 0.894 121.430 120.570 -0.057 0.000 2.286 427 I HA -0.292 3.903 4.170 0.042 0.000 0.248 427 I C 2.414 178.616 176.117 0.142 0.000 1.115 427 I CA 1.373 62.602 61.300 -0.119 0.000 1.392 427 I CB -0.249 37.502 38.000 -0.415 0.000 1.065 427 I HN 0.255 nan 8.210 nan 0.000 0.418 428 Q N 0.106 119.930 119.800 0.040 0.000 2.084 428 Q HA -0.175 4.190 4.340 0.042 0.000 0.202 428 Q C 2.142 178.024 176.000 -0.197 0.000 0.978 428 Q CA 2.051 57.803 55.803 -0.085 0.000 0.844 428 Q CB -0.106 28.562 28.738 -0.116 0.000 0.898 428 Q HN 0.590 nan 8.270 nan 0.000 0.426 429 V N -2.152 117.747 119.914 -0.026 0.000 3.649 429 V HA 0.113 4.258 4.120 0.042 0.000 0.275 429 V C 0.333 176.497 176.094 0.117 0.000 1.281 429 V CA -0.007 62.292 62.300 -0.002 0.000 1.143 429 V CB 0.045 31.868 31.823 -0.000 0.000 0.892 429 V HN 0.043 nan 8.190 nan 0.000 0.441 430 D N 0.977 121.532 120.400 0.258 0.000 2.249 430 D HA 0.541 5.206 4.640 0.042 0.000 0.246 430 D C 1.119 177.660 176.300 0.402 0.000 1.114 430 D CA 0.556 54.752 54.000 0.327 0.000 0.854 430 D CB 2.191 43.255 40.800 0.439 0.000 1.132 430 D HN 0.213 nan 8.370 nan 0.000 0.461 431 A N 4.130 127.103 122.820 0.254 0.000 2.066 431 A HA -0.200 4.145 4.320 0.042 0.000 0.218 431 A C 1.816 179.451 177.584 0.085 0.000 1.157 431 A CA 0.750 52.906 52.037 0.198 0.000 0.670 431 A CB -0.675 18.393 19.000 0.115 0.000 0.804 431 A HN 0.783 nan 8.150 nan 0.000 0.453 432 Y N -0.186 120.063 120.300 -0.085 0.000 2.207 432 Y HA -0.211 4.364 4.550 0.042 0.000 0.287 432 Y C 0.927 176.550 175.900 -0.462 0.000 1.156 432 Y CA 1.738 59.643 58.100 -0.324 0.000 1.182 432 Y CB -0.291 37.853 38.460 -0.527 0.000 0.979 432 Y HN 0.276 nan 8.280 nan 0.000 0.521 433 F N -0.138 119.798 119.950 -0.024 0.000 2.701 433 F HA 0.160 4.712 4.527 0.042 0.000 0.295 433 F C 1.957 177.280 175.800 -0.796 0.000 1.165 433 F CA 0.159 57.990 58.000 -0.282 0.000 1.399 433 F CB -0.487 38.462 39.000 -0.084 0.000 0.996 433 F HN -0.073 nan 8.300 nan 0.000 0.513 434 S N 1.359 116.794 115.700 -0.441 0.000 2.370 434 S HA -0.145 4.350 4.470 0.042 0.000 0.226 434 S C -0.377 174.074 174.600 -0.249 0.000 1.033 434 S CA 1.446 59.450 58.200 -0.327 0.000 1.011 434 S CB -0.919 62.226 63.200 -0.092 0.000 0.852 434 S HN 0.295 nan 8.310 nan 0.000 0.457 435 P HA 0.176 nan 4.420 nan 0.000 0.242 435 P C 0.453 177.699 177.300 -0.091 0.000 1.197 435 P CA 0.615 63.638 63.100 -0.129 0.000 0.765 435 P CB 0.069 31.686 31.700 -0.139 0.000 0.936 436 I N -3.089 117.411 120.570 -0.118 0.000 4.240 436 I HA 0.113 4.308 4.170 0.042 0.000 0.331 436 I C 1.734 177.864 176.117 0.023 0.000 1.381 436 I CA 0.002 61.285 61.300 -0.029 0.000 1.136 436 I CB -0.424 37.599 38.000 0.039 0.000 1.137 436 I HN -0.070 nan 8.210 nan 0.000 0.411 437 H N -0.302 118.806 119.070 0.063 0.000 2.353 437 H HA -0.132 4.449 4.556 0.042 0.000 0.300 437 H C 2.350 177.696 175.328 0.030 0.000 1.090 437 H CA 1.666 57.743 56.048 0.048 0.000 1.327 437 H CB 0.191 29.983 29.762 0.050 0.000 1.383 437 H HN 0.338 nan 8.280 nan 0.000 0.508 438 S N 0.539 116.326 115.700 0.145 0.000 2.447 438 S HA -0.160 4.335 4.470 0.042 0.000 0.233 438 S C 1.778 176.418 174.600 0.067 0.000 1.006 438 S CA 0.935 59.185 58.200 0.084 0.000 0.957 438 S CB -0.033 63.200 63.200 0.053 0.000 0.773 438 S HN 0.487 nan 8.310 nan 0.000 0.507 439 Q N 0.455 120.294 119.800 0.065 0.000 2.389 439 Q HA 0.283 4.648 4.340 0.042 0.000 0.204 439 Q C 1.965 178.025 176.000 0.100 0.000 0.944 439 Q CA 0.315 56.158 55.803 0.065 0.000 0.908 439 Q CB -0.354 28.407 28.738 0.040 0.000 1.002 439 Q HN 0.503 nan 8.270 nan 0.000 0.493 440 L N 1.129 122.404 121.223 0.088 0.000 2.051 440 L HA -0.296 4.069 4.340 0.042 0.000 0.214 440 L C 1.740 178.652 176.870 0.070 0.000 1.076 440 L CA 1.298 56.181 54.840 0.071 0.000 0.758 440 L CB -0.371 41.724 42.059 0.060 0.000 0.890 440 L HN 0.286 nan 8.230 nan 0.000 0.433 441 D N -1.620 118.823 120.400 0.073 0.000 2.117 441 D HA -0.221 4.444 4.640 0.042 0.000 0.198 441 D C 1.931 178.279 176.300 0.081 0.000 0.982 441 D CA 1.525 55.561 54.000 0.060 0.000 0.828 441 D CB -0.173 40.658 40.800 0.051 0.000 0.967 441 D HN 0.485 nan 8.370 nan 0.000 0.464 442 H N 0.714 119.802 119.070 0.030 0.000 2.321 442 H HA 0.018 4.599 4.556 0.042 0.000 0.300 442 H C 2.320 177.678 175.328 0.051 0.000 1.087 442 H CA 1.089 57.155 56.048 0.030 0.000 1.319 442 H CB -0.259 29.512 29.762 0.014 0.000 1.379 442 H HN -0.019 nan 8.280 nan 0.000 0.501 443 L N -0.062 121.289 121.223 0.214 0.000 2.127 443 L HA -0.170 4.195 4.340 0.042 0.000 0.211 443 L C 1.594 178.610 176.870 0.243 0.000 1.089 443 L CA 0.938 55.889 54.840 0.185 0.000 0.757 443 L CB -0.092 42.053 42.059 0.143 0.000 0.899 443 L HN 0.366 nan 8.230 nan 0.000 0.434 444 L N -0.819 120.504 121.223 0.168 0.000 2.741 444 L HA 0.107 4.472 4.340 0.042 0.000 0.237 444 L C 0.260 177.201 176.870 0.119 0.000 1.178 444 L CA -0.405 54.523 54.840 0.146 0.000 0.973 444 L CB 0.026 42.082 42.059 -0.005 0.000 1.255 444 L HN 0.049 nan 8.230 nan 0.000 0.498 445 D N 1.273 121.740 120.400 0.113 0.000 2.389 445 D HA 0.014 4.679 4.640 0.042 0.000 0.263 445 D C -1.537 174.863 176.300 0.166 0.000 1.255 445 D CA -1.701 52.320 54.000 0.036 0.000 0.914 445 D CB 1.450 42.169 40.800 -0.134 0.000 1.116 445 D HN -0.021 nan 8.370 nan 0.000 0.502 446 P HA -0.156 nan 4.420 nan 0.000 0.219 446 P C 1.350 178.734 177.300 0.140 0.000 1.146 446 P CA 1.120 64.285 63.100 0.108 0.000 0.808 446 P CB 0.075 31.772 31.700 -0.005 0.000 0.779 447 S N -0.500 115.235 115.700 0.059 0.000 2.402 447 S HA -0.136 4.359 4.470 0.042 0.000 0.229 447 S C 1.974 176.576 174.600 0.002 0.000 1.021 447 S CA 1.430 59.640 58.200 0.017 0.000 0.974 447 S CB -1.631 61.558 63.200 -0.018 0.000 0.800 447 S HN 0.270 nan 8.310 nan 0.000 0.484 448 S N -0.049 115.639 115.700 -0.021 0.000 2.603 448 S HA 0.186 4.681 4.470 0.042 0.000 0.229 448 S C 0.847 175.279 174.600 -0.280 0.000 0.972 448 S CA -0.039 58.061 58.200 -0.167 0.000 0.935 448 S CB -0.790 62.236 63.200 -0.290 0.000 0.769 448 S HN 0.537 nan 8.310 nan 0.000 0.536 449 F N 1.902 121.818 119.950 -0.058 0.000 2.682 449 F HA 0.238 4.790 4.527 0.042 0.000 0.308 449 F C 2.047 177.819 175.800 -0.047 0.000 1.093 449 F CA 0.216 58.188 58.000 -0.047 0.000 1.244 449 F CB 0.430 39.401 39.000 -0.049 0.000 1.052 449 F HN 0.335 nan 8.300 nan 0.000 0.573 450 T N -2.806 111.796 114.554 0.079 0.000 3.144 450 T HA 0.488 4.864 4.350 0.042 0.000 0.249 450 T C 1.542 176.240 174.700 -0.004 0.000 1.089 450 T CA 0.380 62.498 62.100 0.029 0.000 0.989 450 T CB -0.289 68.582 68.868 0.004 0.000 0.992 450 T HN 0.377 nan 8.240 nan 0.000 0.540 451 G N 2.870 111.662 108.800 -0.014 0.000 2.591 451 G HA2 -0.352 3.633 3.960 0.042 0.000 0.298 451 G HA3 -0.352 3.633 3.960 0.042 0.000 0.298 451 G C 0.477 175.359 174.900 -0.029 0.000 1.195 451 G CA 0.137 45.221 45.100 -0.026 0.000 0.989 451 G HN 0.558 nan 8.290 nan 0.000 0.551 452 R N 1.206 121.689 120.500 -0.027 0.000 2.552 452 R HA 0.525 4.890 4.340 0.042 0.000 0.314 452 R C 2.412 178.693 176.300 -0.031 0.000 1.041 452 R CA 0.703 56.786 56.100 -0.027 0.000 1.076 452 R CB 0.123 30.409 30.300 -0.023 0.000 1.290 452 R HN 0.615 nan 8.270 nan 0.000 0.563 453 A N 1.304 124.101 122.820 -0.037 0.000 1.883 453 A HA -0.242 4.103 4.320 0.042 0.000 0.217 453 A C 2.203 179.760 177.584 -0.045 0.000 1.186 453 A CA 2.285 54.292 52.037 -0.050 0.000 0.624 453 A CB -0.412 18.554 19.000 -0.056 0.000 0.822 453 A HN 0.418 nan 8.150 nan 0.000 0.444 454 S N -0.470 115.208 115.700 -0.037 0.000 2.383 454 S HA -0.201 4.294 4.470 0.042 0.000 0.227 454 S C 1.910 176.500 174.600 -0.016 0.000 1.026 454 S CA 1.247 59.429 58.200 -0.030 0.000 0.981 454 S CB -0.546 62.637 63.200 -0.028 0.000 0.818 454 S HN 0.690 nan 8.310 nan 0.000 0.472 455 Q N 0.991 120.782 119.800 -0.014 0.000 2.167 455 Q HA -0.074 4.291 4.340 0.042 0.000 0.202 455 Q C 2.424 178.426 176.000 0.002 0.000 0.970 455 Q CA 1.236 57.036 55.803 -0.005 0.000 0.855 455 Q CB -0.257 28.477 28.738 -0.007 0.000 0.911 455 Q HN 0.720 nan 8.270 nan 0.000 0.438 456 Q N -0.075 119.720 119.800 -0.008 0.000 2.083 456 Q HA -0.103 4.262 4.340 0.042 0.000 0.198 456 Q C 2.273 178.292 176.000 0.030 0.000 0.969 456 Q CA 1.243 57.044 55.803 -0.003 0.000 0.838 456 Q CB 0.038 28.752 28.738 -0.040 0.000 0.900 456 Q HN 0.168 nan 8.270 nan 0.000 0.436 457 V N 1.176 121.098 119.914 0.013 0.000 2.287 457 V HA -0.328 3.817 4.120 0.042 0.000 0.248 457 V C 2.348 178.485 176.094 0.072 0.000 1.053 457 V CA 2.210 64.540 62.300 0.051 0.000 1.027 457 V CB -0.692 31.135 31.823 0.005 0.000 0.646 457 V HN 0.426 nan 8.190 nan 0.000 0.447 458 Q N 0.079 119.898 119.800 0.032 0.000 2.020 458 Q HA -0.264 4.101 4.340 0.042 0.000 0.202 458 Q C 2.564 178.567 176.000 0.005 0.000 0.982 458 Q CA 2.031 57.844 55.803 0.018 0.000 0.838 458 Q CB -0.212 28.538 28.738 0.020 0.000 0.899 458 Q HN 0.505 nan 8.270 nan 0.000 0.423 459 R N -0.533 119.984 120.500 0.028 0.000 2.096 459 R HA -0.169 4.196 4.340 0.042 0.000 0.235 459 R C 2.233 178.552 176.300 0.032 0.000 1.127 459 R CA 1.432 57.547 56.100 0.025 0.000 0.968 459 R CB -0.389 29.933 30.300 0.036 0.000 0.861 459 R HN 0.348 nan 8.270 nan 0.000 0.440 460 F N 1.356 121.253 119.950 -0.088 0.000 2.075 460 F HA -0.174 4.378 4.527 0.041 0.000 0.297 460 F C 1.882 177.575 175.800 -0.179 0.000 1.113 460 F CA 1.504 59.441 58.000 -0.105 0.000 1.218 460 F CB -0.547 38.398 39.000 -0.091 0.000 0.984 460 F HN -0.050 nan 8.300 nan 0.000 0.472 461 L N 0.068 121.043 121.223 -0.413 0.000 2.042 461 L HA -0.223 4.142 4.340 0.042 0.000 0.210 461 L C 2.467 178.778 176.870 -0.932 0.000 1.076 461 L CA 1.874 56.220 54.840 -0.824 0.000 0.749 461 L CB -0.803 40.844 42.059 -0.686 0.000 0.893 461 L HN 0.239 nan 8.230 nan 0.000 0.432 462 E N -0.144 119.782 120.200 -0.457 0.000 2.028 462 E HA -0.204 4.171 4.350 0.042 0.000 0.191 462 E C 2.114 178.633 176.600 -0.134 0.000 0.988 462 E CA 1.208 57.505 56.400 -0.172 0.000 0.799 462 E CB 0.004 29.694 29.700 -0.017 0.000 0.755 462 E HN 0.503 nan 8.360 nan 0.000 0.447 463 E N 0.078 120.193 120.200 -0.141 0.000 2.158 463 E HA -0.112 4.263 4.350 0.042 0.000 0.191 463 E C 1.618 178.142 176.600 -0.127 0.000 0.982 463 E CA 0.769 57.117 56.400 -0.088 0.000 0.823 463 E CB 0.220 29.896 29.700 -0.040 0.000 0.766 463 E HN 0.291 nan 8.360 nan 0.000 0.468 464 E N -0.407 119.633 120.200 -0.267 0.000 2.354 464 E HA 0.025 4.400 4.350 0.042 0.000 0.203 464 E C 2.010 178.397 176.600 -0.354 0.000 0.841 464 E CA 0.181 56.411 56.400 -0.283 0.000 1.046 464 E CB 0.673 30.203 29.700 -0.283 0.000 1.040 464 E HN -0.031 nan 8.360 nan 0.000 0.504 465 V N 0.953 120.521 119.914 -0.576 0.000 2.374 465 V HA -0.154 3.991 4.120 0.042 0.000 0.241 465 V C 1.953 177.962 176.094 -0.142 0.000 1.034 465 V CA 1.337 63.372 62.300 -0.442 0.000 1.037 465 V CB -0.497 30.947 31.823 -0.631 0.000 0.682 465 V HN 0.170 nan 8.190 nan 0.000 0.463 466 Y N 0.417 120.641 120.300 -0.128 0.000 2.145 466 Y HA -0.046 4.529 4.550 0.042 0.000 0.286 466 Y C 0.263 176.143 175.900 -0.033 0.000 1.145 466 Y CA 0.368 58.432 58.100 -0.060 0.000 1.148 466 Y CB -2.542 35.888 38.460 -0.050 0.000 0.981 466 Y HN 0.349 nan 8.280 nan 0.000 0.507 467 P HA -0.188 nan 4.420 nan 0.000 0.216 467 P C 1.881 179.217 177.300 0.060 0.000 1.150 467 P CA 1.529 64.664 63.100 0.058 0.000 0.843 467 P CB -0.120 31.592 31.700 0.019 0.000 0.787 468 L N -1.743 119.511 121.223 0.052 0.000 2.141 468 L HA -0.124 4.241 4.340 0.042 0.000 0.209 468 L C 2.262 179.228 176.870 0.160 0.000 1.094 468 L CA 1.170 56.059 54.840 0.082 0.000 0.763 468 L CB -0.529 41.554 42.059 0.041 0.000 0.908 468 L HN -0.018 nan 8.230 nan 0.000 0.437 469 L N -1.064 120.253 121.223 0.155 0.000 2.270 469 L HA -0.125 4.240 4.340 0.042 0.000 0.210 469 L C 2.451 179.446 176.870 0.209 0.000 1.104 469 L CA 0.448 55.414 54.840 0.209 0.000 0.804 469 L CB -0.351 41.807 42.059 0.165 0.000 0.937 469 L HN 0.172 nan 8.230 nan 0.000 0.450 470 K N 0.876 121.348 120.400 0.121 0.000 2.059 470 K HA -0.213 4.132 4.320 0.042 0.000 0.212 470 K C -0.459 176.145 176.600 0.007 0.000 1.050 470 K CA 1.904 58.222 56.287 0.053 0.000 0.927 470 K CB -0.841 31.675 32.500 0.026 0.000 0.714 470 K HN 0.183 nan 8.250 nan 0.000 0.447 471 P HA -0.156 nan 4.420 nan 0.000 0.220 471 P C 0.048 177.114 177.300 -0.390 0.000 1.144 471 P CA 1.306 64.248 63.100 -0.264 0.000 0.800 471 P CB 0.030 31.472 31.700 -0.430 0.000 0.772 472 Y N -1.695 118.608 120.300 0.005 0.000 2.507 472 Y HA 0.189 4.764 4.550 0.042 0.000 0.254 472 Y C 2.002 177.904 175.900 0.004 0.000 1.171 472 Y CA -0.234 57.870 58.100 0.007 0.000 1.238 472 Y CB -0.338 38.131 38.460 0.014 0.000 1.148 472 Y HN -0.039 nan 8.280 nan 0.000 0.525 473 E N 0.239 120.495 120.200 0.093 0.000 2.097 473 E HA -0.277 4.098 4.350 0.042 0.000 0.196 473 E C 2.301 178.927 176.600 0.043 0.000 1.000 473 E CA 1.581 58.014 56.400 0.055 0.000 0.804 473 E CB -0.086 29.624 29.700 0.016 0.000 0.740 473 E HN 0.348 nan 8.360 nan 0.000 0.454 474 S N 0.383 116.100 115.700 0.028 0.000 2.409 474 S HA -0.191 4.304 4.470 0.042 0.000 0.237 474 S C 1.759 176.381 174.600 0.036 0.000 1.060 474 S CA 1.765 59.977 58.200 0.021 0.000 1.052 474 S CB -0.127 63.077 63.200 0.007 0.000 0.871 474 S HN 0.246 nan 8.310 nan 0.000 0.465 475 V N -1.038 118.913 119.914 0.062 0.000 3.006 475 V HA 0.472 4.617 4.120 0.042 0.000 0.357 475 V C 0.451 176.581 176.094 0.059 0.000 1.377 475 V CA -0.698 61.639 62.300 0.062 0.000 1.198 475 V CB -0.215 31.657 31.823 0.081 0.000 1.216 475 V HN 0.220 nan 8.190 nan 0.000 0.520 476 M N 0.000 119.632 119.600 0.053 0.000 2.572 476 M HA 0.000 4.505 4.480 0.042 0.000 0.227 476 M CA 0.000 55.326 55.300 0.043 0.000 0.988 476 M CB 0.000 32.625 32.600 0.041 0.000 1.302 476 M HN 0.000 nan 8.290 nan 0.000 0.411