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 1c5f_1_O DATA FIRST_RESID 6 DATA SEQUENCE RRRVFLDVTI DGNLAGRIVM ELYNDIAPRT CNNFLMLCTG MAGTGKISGK DATA SEQUENCE PLHYKGSTFH RVIKNFMIQG GDFTKGDGTG GESIYGGMFD DEEFVMKHDE DATA SEQUENCE PFVVSMANKG PNTNGSQFFI TTTPAPHLNN IHVVFGKVVS GQEVVTKIEY DATA SEQUENCE LKTNSKNRPL ADVVILNCGE LV 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.278 176.300 -0.037 0.000 0.893 6 R CA 0.000 56.052 56.100 -0.079 0.000 0.921 6 R CB 0.000 30.183 30.300 -0.195 0.000 0.687 7 R N 2.033 122.536 120.500 0.005 0.000 2.549 7 R HA 0.539 4.880 4.340 0.000 0.000 0.259 7 R C -0.046 176.286 176.300 0.052 0.000 1.095 7 R CA -0.708 55.413 56.100 0.035 0.000 1.148 7 R CB 0.841 31.176 30.300 0.058 0.000 1.181 7 R HN 0.470 nan 8.270 nan 0.000 0.571 8 R N 0.359 120.905 120.500 0.078 0.000 2.532 8 R HA 0.393 4.733 4.340 0.000 0.000 0.297 8 R C -0.468 175.926 176.300 0.157 0.000 0.984 8 R CA -0.688 55.476 56.100 0.106 0.000 0.884 8 R CB 2.071 32.423 30.300 0.086 0.000 1.182 8 R HN 0.512 nan 8.270 nan 0.000 0.442 9 V N 0.026 120.054 119.914 0.189 0.000 3.103 9 V HA 0.842 4.962 4.120 0.000 0.000 0.318 9 V C -0.614 175.635 176.094 0.257 0.000 1.114 9 V CA -0.978 61.435 62.300 0.189 0.000 1.020 9 V CB 1.663 33.606 31.823 0.200 0.000 1.085 9 V HN 0.683 nan 8.190 nan 0.000 0.446 10 F N 0.083 120.100 119.950 0.111 0.000 2.613 10 F HA 0.899 5.426 4.527 0.000 0.000 0.310 10 F C -1.632 174.225 175.800 0.095 0.000 1.085 10 F CA -1.457 56.602 58.000 0.099 0.000 0.945 10 F CB 1.761 40.802 39.000 0.068 0.000 1.298 10 F HN 0.485 nan 8.300 nan 0.000 0.455 11 L N 3.093 124.489 121.223 0.288 0.000 2.441 11 L HA 0.407 4.747 4.340 0.000 0.000 0.270 11 L C -1.536 175.514 176.870 0.300 0.000 0.973 11 L CA -0.754 54.204 54.840 0.196 0.000 0.842 11 L CB 1.881 44.061 42.059 0.202 0.000 1.239 11 L HN 0.571 nan 8.230 nan 0.000 0.406 12 D N 3.366 123.946 120.400 0.301 0.000 2.359 12 D HA 0.363 5.003 4.640 0.000 0.000 0.230 12 D C -0.147 176.260 176.300 0.178 0.000 1.118 12 D CA -0.084 54.056 54.000 0.234 0.000 0.844 12 D CB 2.550 43.485 40.800 0.226 0.000 1.059 12 D HN 0.029 nan 8.370 nan 0.000 0.493 13 V N 1.963 121.978 119.914 0.168 0.000 2.716 13 V HA 0.598 4.718 4.120 0.000 0.000 0.304 13 V C 0.649 176.812 176.094 0.115 0.000 1.053 13 V CA -0.590 61.809 62.300 0.164 0.000 0.984 13 V CB 1.837 33.775 31.823 0.190 0.000 1.021 13 V HN 0.694 nan 8.190 nan 0.000 0.467 14 T N 0.915 115.534 114.554 0.108 0.000 2.921 14 T HA 0.719 5.069 4.350 0.000 0.000 0.297 14 T C -0.944 173.804 174.700 0.079 0.000 1.013 14 T CA -0.479 61.669 62.100 0.080 0.000 0.990 14 T CB 1.179 70.087 68.868 0.067 0.000 1.023 14 T HN 0.371 nan 8.240 nan 0.000 0.447 15 I N 2.805 123.412 120.570 0.063 0.000 2.328 15 I HA 0.313 4.483 4.170 0.000 0.000 0.287 15 I C -0.269 175.876 176.117 0.048 0.000 1.012 15 I CA -0.454 60.880 61.300 0.057 0.000 1.195 15 I CB 0.895 38.923 38.000 0.048 0.000 1.350 15 I HN 0.723 nan 8.210 nan 0.000 0.464 16 D N 5.443 125.872 120.400 0.048 0.000 2.772 16 D HA -0.193 4.447 4.640 0.000 0.000 0.233 16 D C 1.176 177.498 176.300 0.037 0.000 1.143 16 D CA 1.715 55.739 54.000 0.040 0.000 0.700 16 D CB -0.884 39.936 40.800 0.034 0.000 1.076 16 D HN 1.117 nan 8.370 nan 0.000 0.430 17 G N -1.052 107.773 108.800 0.042 0.000 2.253 17 G HA2 -0.349 3.611 3.960 0.000 0.000 0.251 17 G HA3 -0.349 3.611 3.960 0.000 0.000 0.251 17 G C 0.225 175.147 174.900 0.037 0.000 0.998 17 G CA 0.175 45.298 45.100 0.038 0.000 0.621 17 G HN 0.439 nan 8.290 nan 0.000 0.524 18 N N 1.391 120.113 118.700 0.037 0.000 2.430 18 N HA 0.374 5.114 4.740 0.000 0.000 0.265 18 N C 0.849 176.383 175.510 0.039 0.000 1.100 18 N CA -0.130 52.940 53.050 0.034 0.000 0.961 18 N CB 0.850 39.355 38.487 0.030 0.000 1.075 18 N HN 0.388 nan 8.380 nan 0.000 0.478 19 L N 1.472 122.717 121.223 0.036 0.000 2.628 19 L HA -0.040 4.300 4.340 0.000 0.000 0.274 19 L C 1.331 178.225 176.870 0.039 0.000 1.209 19 L CA -0.026 54.838 54.840 0.040 0.000 0.930 19 L CB 0.054 42.132 42.059 0.032 0.000 1.183 19 L HN 0.578 nan 8.230 nan 0.000 0.492 20 A N 2.971 125.820 122.820 0.048 0.000 2.390 20 A HA 0.583 4.904 4.320 0.000 0.000 0.232 20 A C 0.905 178.514 177.584 0.042 0.000 1.233 20 A CA 0.389 52.452 52.037 0.044 0.000 0.907 20 A CB 0.184 19.214 19.000 0.049 0.000 0.967 20 A HN 1.011 nan 8.150 nan 0.000 0.512 21 G N -0.541 108.287 108.800 0.046 0.000 2.434 21 G HA2 0.108 4.068 3.960 0.000 0.000 0.671 21 G HA3 0.108 4.068 3.960 0.000 0.000 0.671 21 G C -0.553 174.387 174.900 0.066 0.000 1.280 21 G CA -0.365 44.759 45.100 0.041 0.000 0.975 21 G HN 0.855 nan 8.290 nan 0.000 0.510 22 R N -0.396 120.140 120.500 0.059 0.000 2.534 22 R HA 0.682 5.022 4.340 0.000 0.000 0.301 22 R C -0.461 175.898 176.300 0.100 0.000 0.961 22 R CA -1.019 55.140 56.100 0.099 0.000 0.871 22 R CB 0.889 31.229 30.300 0.066 0.000 1.170 22 R HN 0.561 nan 8.270 nan 0.000 0.446 23 I N 4.892 125.553 120.570 0.152 0.000 2.315 23 I HA 0.254 4.424 4.170 0.000 0.000 0.291 23 I C -0.393 175.830 176.117 0.177 0.000 1.006 23 I CA -0.999 60.383 61.300 0.137 0.000 1.265 23 I CB 1.737 39.841 38.000 0.173 0.000 1.387 23 I HN 0.282 nan 8.210 nan 0.000 0.475 24 V N 7.616 127.605 119.914 0.125 0.000 2.398 24 V HA 0.473 4.593 4.120 0.000 0.000 0.286 24 V C 0.118 176.278 176.094 0.111 0.000 1.026 24 V CA -0.424 61.964 62.300 0.146 0.000 0.868 24 V CB 1.604 33.486 31.823 0.099 0.000 0.982 24 V HN 0.678 nan 8.190 nan 0.000 0.443 25 M N 3.627 123.309 119.600 0.136 0.000 2.535 25 M HA 0.529 5.009 4.480 0.000 0.000 0.314 25 M C -0.444 175.912 176.300 0.093 0.000 1.153 25 M CA -0.438 54.917 55.300 0.092 0.000 0.924 25 M CB 2.536 35.175 32.600 0.066 0.000 1.710 25 M HN 0.635 nan 8.290 nan 0.000 0.451 26 E N 3.085 123.329 120.200 0.073 0.000 2.113 26 E HA 0.453 4.803 4.350 0.000 0.000 0.273 26 E C -1.602 175.060 176.600 0.103 0.000 0.924 26 E CA -0.455 55.977 56.400 0.053 0.000 0.764 26 E CB 1.009 30.709 29.700 0.000 0.000 1.104 26 E HN 0.621 nan 8.360 nan 0.000 0.406 27 L N 5.187 126.474 121.223 0.106 0.000 2.290 27 L HA 0.215 4.555 4.340 0.000 0.000 0.284 27 L C -0.345 176.626 176.870 0.168 0.000 1.078 27 L CA -0.637 54.325 54.840 0.203 0.000 0.815 27 L CB 0.564 42.755 42.059 0.219 0.000 1.162 27 L HN 0.676 nan 8.230 nan 0.000 0.435 28 Y N 3.129 123.473 120.300 0.074 0.000 2.623 28 Y HA 0.034 4.584 4.550 0.000 0.000 0.341 28 Y C 1.265 177.209 175.900 0.072 0.000 1.292 28 Y CA -0.509 57.626 58.100 0.058 0.000 1.840 28 Y CB -0.452 38.033 38.460 0.041 0.000 1.865 28 Y HN 0.646 nan 8.280 nan 0.000 0.440 29 N N 1.009 119.787 118.700 0.129 0.000 2.061 29 N HA -0.254 4.486 4.740 0.000 0.000 0.193 29 N C 1.631 177.191 175.510 0.084 0.000 1.030 29 N CA 1.861 54.967 53.050 0.094 0.000 0.856 29 N CB -0.139 38.377 38.487 0.049 0.000 1.023 29 N HN 0.612 nan 8.380 nan 0.000 0.424 30 D N 0.303 120.744 120.400 0.070 0.000 2.218 30 D HA -0.145 4.495 4.640 0.000 0.000 0.204 30 D C 1.400 177.752 176.300 0.088 0.000 0.976 30 D CA 0.947 54.985 54.000 0.062 0.000 0.853 30 D CB -0.157 40.669 40.800 0.043 0.000 0.939 30 D HN 0.265 nan 8.370 nan 0.000 0.481 31 I N 0.524 121.179 120.570 0.141 0.000 2.628 31 I HA 0.178 4.348 4.170 0.000 0.000 0.255 31 I C 1.119 177.295 176.117 0.098 0.000 1.119 31 I CA 0.335 61.711 61.300 0.127 0.000 1.448 31 I CB -0.783 37.316 38.000 0.165 0.000 1.133 31 I HN 0.038 nan 8.210 nan 0.000 0.438 32 A N 1.384 124.278 122.820 0.123 0.000 3.082 32 A HA 0.543 4.864 4.320 0.000 0.000 0.328 32 A C -1.935 175.700 177.584 0.085 0.000 1.089 32 A CA -0.997 51.099 52.037 0.097 0.000 0.802 32 A CB 0.379 19.458 19.000 0.132 0.000 1.138 32 A HN -0.027 nan 8.150 nan 0.000 0.474 33 P HA -0.231 nan 4.420 nan 0.000 0.211 33 P C 1.645 178.952 177.300 0.012 0.000 1.181 33 P CA 1.575 64.693 63.100 0.030 0.000 0.929 33 P CB 0.109 31.814 31.700 0.008 0.000 0.789 34 R N -1.049 119.441 120.500 -0.016 0.000 2.091 34 R HA -0.093 4.247 4.340 0.000 0.000 0.238 34 R C 2.253 178.512 176.300 -0.068 0.000 1.136 34 R CA 2.021 58.090 56.100 -0.053 0.000 0.959 34 R CB -1.633 28.547 30.300 -0.201 0.000 0.856 34 R HN 0.274 nan 8.270 nan 0.000 0.437 35 T N 0.461 115.020 114.554 0.008 0.000 2.746 35 T HA -0.158 4.192 4.350 0.000 0.000 0.267 35 T C 2.124 176.669 174.700 -0.258 0.000 1.039 35 T CA 1.273 63.354 62.100 -0.033 0.000 1.142 35 T CB -0.362 68.491 68.868 -0.024 0.000 0.866 35 T HN 0.348 nan 8.240 nan 0.000 0.444 36 C N 1.588 120.819 119.300 -0.115 0.000 2.440 36 C HA -0.015 4.445 4.460 0.000 0.000 0.278 36 C C 2.826 177.835 174.990 0.031 0.000 1.295 36 C CA 0.602 59.626 59.018 0.010 0.000 1.738 36 C CB -1.290 26.526 27.740 0.127 0.000 1.987 36 C HN 0.645 nan 8.230 nan 0.000 0.492 37 N N 1.507 120.200 118.700 -0.012 0.000 2.142 37 N HA -0.132 4.609 4.740 0.000 0.000 0.186 37 N C 1.419 176.853 175.510 -0.128 0.000 1.023 37 N CA 1.888 54.917 53.050 -0.034 0.000 0.852 37 N CB -0.493 37.992 38.487 -0.002 0.000 0.998 37 N HN 0.520 nan 8.380 nan 0.000 0.424 38 N N -0.581 117.985 118.700 -0.223 0.000 2.058 38 N HA -0.169 4.571 4.740 0.000 0.000 0.191 38 N C 1.588 177.000 175.510 -0.164 0.000 1.037 38 N CA 1.406 54.241 53.050 -0.358 0.000 0.848 38 N CB -0.627 37.594 38.487 -0.443 0.000 1.021 38 N HN 0.309 nan 8.380 nan 0.000 0.422 39 F N 0.813 120.652 119.950 -0.185 0.000 2.069 39 F HA -0.091 4.436 4.527 0.000 0.000 0.298 39 F C 2.220 178.015 175.800 -0.008 0.000 1.113 39 F CA 1.243 59.220 58.000 -0.039 0.000 1.214 39 F CB -0.502 38.473 39.000 -0.042 0.000 0.978 39 F HN 0.167 nan 8.300 nan 0.000 0.474 40 L N -0.368 120.950 121.223 0.159 0.000 2.079 40 L HA -0.276 4.065 4.340 0.000 0.000 0.210 40 L C 2.242 179.054 176.870 -0.097 0.000 1.081 40 L CA 1.236 56.111 54.840 0.058 0.000 0.752 40 L CB -0.278 41.829 42.059 0.080 0.000 0.896 40 L HN 0.206 nan 8.230 nan 0.000 0.433 41 M N -0.793 118.718 119.600 -0.150 0.000 2.200 41 M HA -0.140 4.340 4.480 0.000 0.000 0.265 41 M C 2.223 178.343 176.300 -0.299 0.000 1.066 41 M CA 1.477 56.648 55.300 -0.214 0.000 1.127 41 M CB -0.824 31.635 32.600 -0.236 0.000 1.379 41 M HN 0.310 nan 8.290 nan 0.000 0.420 42 L N -1.115 119.869 121.223 -0.398 0.000 2.362 42 L HA -0.188 4.152 4.340 0.000 0.000 0.219 42 L C 2.296 178.897 176.870 -0.448 0.000 1.134 42 L CA 0.407 54.872 54.840 -0.625 0.000 0.807 42 L CB -0.544 40.847 42.059 -1.112 0.000 0.927 42 L HN 0.335 nan 8.230 nan 0.000 0.447 43 C N -0.971 118.168 119.300 -0.269 0.000 2.485 43 C HA -0.043 4.417 4.460 0.000 0.000 0.277 43 C C 2.787 177.739 174.990 -0.063 0.000 1.376 43 C CA 1.156 60.088 59.018 -0.143 0.000 1.759 43 C CB -0.636 26.959 27.740 -0.243 0.000 1.970 43 C HN 0.645 nan 8.230 nan 0.000 0.509 44 T N -3.178 111.299 114.554 -0.127 0.000 3.014 44 T HA 0.305 4.655 4.350 0.000 0.000 0.250 44 T C 1.634 176.087 174.700 -0.411 0.000 1.060 44 T CA 1.159 63.167 62.100 -0.153 0.000 1.040 44 T CB -0.055 68.727 68.868 -0.143 0.000 0.971 44 T HN 0.732 nan 8.240 nan 0.000 0.497 45 G N 1.933 110.418 108.800 -0.524 0.000 2.166 45 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 45 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 45 G C 0.874 175.484 174.900 -0.482 0.000 0.986 45 G CA 0.592 45.216 45.100 -0.793 0.000 0.683 45 G HN 0.421 nan 8.290 nan 0.000 0.527 46 M N 0.079 119.480 119.600 -0.331 0.000 2.630 46 M HA 0.237 4.717 4.480 0.000 0.000 0.254 46 M C 2.298 178.481 176.300 -0.195 0.000 1.092 46 M CA 0.969 56.132 55.300 -0.229 0.000 1.087 46 M CB -0.713 31.786 32.600 -0.168 0.000 1.453 46 M HN 0.701 nan 8.290 nan 0.000 0.509 47 A N -0.136 122.551 122.820 -0.221 0.000 2.411 47 A HA 0.510 4.830 4.320 0.000 0.000 0.251 47 A C 1.429 178.916 177.584 -0.161 0.000 1.317 47 A CA 0.469 52.396 52.037 -0.183 0.000 0.904 47 A CB -0.892 17.981 19.000 -0.211 0.000 0.993 47 A HN 0.568 nan 8.150 nan 0.000 0.504 48 G N -0.401 108.300 108.800 -0.166 0.000 2.550 48 G HA2 -0.241 3.719 3.960 0.000 0.000 0.277 48 G HA3 -0.241 3.719 3.960 0.000 0.000 0.277 48 G C 0.223 175.046 174.900 -0.128 0.000 1.190 48 G CA 0.212 45.232 45.100 -0.133 0.000 0.971 48 G HN 0.822 nan 8.290 nan 0.000 0.559 49 T N 0.980 115.484 114.554 -0.083 0.000 2.934 49 T HA 0.606 4.957 4.350 0.000 0.000 0.283 49 T C 0.851 175.533 174.700 -0.029 0.000 1.005 49 T CA 0.519 62.586 62.100 -0.054 0.000 1.041 49 T CB 1.506 70.355 68.868 -0.032 0.000 1.042 49 T HN 1.515 nan 8.240 nan 0.000 0.505 50 G N 0.945 109.752 108.800 0.013 0.000 2.364 50 G HA2 0.227 4.188 3.960 0.000 0.000 0.267 50 G HA3 0.227 4.188 3.960 0.000 0.000 0.267 50 G C 0.835 175.753 174.900 0.029 0.000 1.233 50 G CA -0.393 44.733 45.100 0.042 0.000 0.885 50 G HN 0.779 nan 8.290 nan 0.000 0.490 51 K N 2.268 122.682 120.400 0.023 0.000 1.991 51 K HA -0.136 4.184 4.320 0.000 0.000 0.212 51 K C 2.144 178.758 176.600 0.024 0.000 1.049 51 K CA 1.163 57.462 56.287 0.020 0.000 0.932 51 K CB -0.101 32.413 32.500 0.023 0.000 0.717 51 K HN 0.471 nan 8.250 nan 0.000 0.441 52 I N 1.175 121.763 120.570 0.030 0.000 2.202 52 I HA -0.206 3.964 4.170 0.000 0.000 0.242 52 I C 2.508 178.637 176.117 0.021 0.000 1.091 52 I CA 1.747 63.062 61.300 0.024 0.000 1.368 52 I CB -1.334 36.682 38.000 0.026 0.000 1.058 52 I HN 0.350 nan 8.210 nan 0.000 0.410 53 S N 0.022 115.738 115.700 0.027 0.000 2.458 53 S HA 0.162 4.632 4.470 0.000 0.000 0.223 53 S C 1.797 176.418 174.600 0.035 0.000 1.019 53 S CA 0.603 58.819 58.200 0.027 0.000 0.937 53 S CB 0.150 63.367 63.200 0.028 0.000 0.788 53 S HN 0.567 nan 8.310 nan 0.000 0.511 54 G N 1.111 109.934 108.800 0.039 0.000 2.148 54 G HA2 -0.242 3.718 3.960 0.000 0.000 0.254 54 G HA3 -0.242 3.718 3.960 0.000 0.000 0.254 54 G C -0.097 174.826 174.900 0.039 0.000 0.981 54 G CA 0.427 45.545 45.100 0.030 0.000 0.670 54 G HN 0.602 nan 8.290 nan 0.000 0.528 55 K N 0.238 120.683 120.400 0.074 0.000 2.221 55 K HA 0.494 4.814 4.320 0.000 0.000 0.243 55 K C -2.640 173.994 176.600 0.057 0.000 0.968 55 K CA -2.347 53.992 56.287 0.088 0.000 0.846 55 K CB 1.675 34.269 32.500 0.156 0.000 1.141 55 K HN -0.133 nan 8.250 nan 0.000 0.434 56 P HA -0.069 nan 4.420 nan 0.000 0.256 56 P C -0.612 176.481 177.300 -0.344 0.000 1.173 56 P CA 0.444 63.467 63.100 -0.129 0.000 0.768 56 P CB 0.183 31.828 31.700 -0.091 0.000 0.758 57 L N 4.420 125.433 121.223 -0.350 0.000 2.436 57 L HA 0.079 4.420 4.340 0.000 0.000 0.244 57 L C 0.776 177.238 176.870 -0.679 0.000 1.396 57 L CA 0.473 54.981 54.840 -0.552 0.000 1.217 57 L CB -1.191 40.691 42.059 -0.295 0.000 1.420 57 L HN 0.531 nan 8.230 nan 0.000 0.434 58 H N -0.960 117.469 119.070 -1.069 0.000 2.856 58 H HA 0.134 4.690 4.556 0.000 0.000 0.355 58 H C -0.187 174.715 175.328 -0.711 0.000 1.079 58 H CA -0.784 54.824 56.048 -0.733 0.000 1.240 58 H CB 1.600 31.108 29.762 -0.423 0.000 1.701 58 H HN 0.149 nan 8.280 nan 0.000 0.527 59 Y N 2.362 122.437 120.300 -0.374 0.000 2.395 59 Y HA -0.065 4.486 4.550 0.000 0.000 0.293 59 Y C 1.330 177.025 175.900 -0.342 0.000 1.123 59 Y CA 0.571 58.502 58.100 -0.283 0.000 1.227 59 Y CB -0.008 38.295 38.460 -0.262 0.000 1.012 59 Y HN 0.399 nan 8.280 nan 0.000 0.552 60 K N 0.309 120.391 120.400 -0.530 0.000 2.466 60 K HA 0.166 4.486 4.320 0.000 0.000 0.278 60 K C 1.130 177.579 176.600 -0.252 0.000 1.048 60 K CA 1.143 57.137 56.287 -0.487 0.000 1.088 60 K CB -0.240 31.747 32.500 -0.857 0.000 0.884 60 K HN 0.509 nan 8.250 nan 0.000 0.478 61 G N 2.254 110.990 108.800 -0.107 0.000 2.258 61 G HA2 -0.324 3.637 3.960 0.000 0.000 0.233 61 G HA3 -0.324 3.637 3.960 0.000 0.000 0.233 61 G C 0.149 175.058 174.900 0.016 0.000 1.006 61 G CA 0.270 45.350 45.100 -0.034 0.000 0.620 61 G HN 0.905 nan 8.290 nan 0.000 0.511 62 S N 0.146 115.867 115.700 0.036 0.000 2.626 62 S HA 0.729 5.199 4.470 0.000 0.000 0.257 62 S C 0.388 175.007 174.600 0.031 0.000 1.288 62 S CA 1.128 59.380 58.200 0.086 0.000 0.980 62 S CB 1.630 64.953 63.200 0.205 0.000 0.975 62 S HN 1.911 nan 8.310 nan 0.000 0.577 63 T N -2.519 112.046 114.554 0.019 0.000 2.838 63 T HA 0.653 5.003 4.350 0.000 0.000 0.292 63 T C -1.185 173.480 174.700 -0.059 0.000 1.113 63 T CA -0.837 61.273 62.100 0.018 0.000 1.008 63 T CB 0.607 69.530 68.868 0.092 0.000 1.259 63 T HN 0.431 nan 8.240 nan 0.000 0.520 64 F N 2.827 122.818 119.950 0.068 0.000 2.350 64 F HA 0.314 4.841 4.527 0.000 0.000 0.365 64 F C 1.855 177.654 175.800 -0.002 0.000 1.122 64 F CA -0.685 57.308 58.000 -0.010 0.000 1.139 64 F CB 0.774 39.734 39.000 -0.066 0.000 1.220 64 F HN 0.779 nan 8.300 nan 0.000 0.499 65 H N 2.172 121.286 119.070 0.073 0.000 2.551 65 H HA 0.204 4.760 4.556 0.000 0.000 0.266 65 H C 0.312 175.660 175.328 0.033 0.000 0.964 65 H CA 0.070 56.145 56.048 0.045 0.000 1.180 65 H CB 0.359 30.129 29.762 0.015 0.000 1.408 65 H HN 0.504 nan 8.280 nan 0.000 0.563 66 R N 1.095 121.322 120.500 -0.456 0.000 2.564 66 R HA 0.458 4.799 4.340 0.000 0.000 0.284 66 R C -1.864 174.298 176.300 -0.229 0.000 1.031 66 R CA -0.654 55.262 56.100 -0.307 0.000 0.904 66 R CB 2.302 32.365 30.300 -0.396 0.000 1.199 66 R HN 0.090 nan 8.270 nan 0.000 0.443 67 V N 2.162 121.981 119.914 -0.159 0.000 2.686 67 V HA 0.636 4.756 4.120 0.000 0.000 0.306 67 V C -0.777 175.226 176.094 -0.151 0.000 1.065 67 V CA -0.761 61.432 62.300 -0.178 0.000 0.894 67 V CB 1.875 33.591 31.823 -0.178 0.000 1.004 67 V HN 0.738 nan 8.190 nan 0.000 0.424 68 I N 3.916 124.393 120.570 -0.155 0.000 2.382 68 I HA 0.445 4.615 4.170 0.000 0.000 0.286 68 I C 0.319 176.353 176.117 -0.139 0.000 1.002 68 I CA -0.750 60.506 61.300 -0.073 0.000 1.135 68 I CB 1.913 39.980 38.000 0.111 0.000 1.288 68 I HN 0.678 nan 8.210 nan 0.000 0.448 69 K N 5.880 126.152 120.400 -0.213 0.000 2.527 69 K HA 0.015 4.335 4.320 0.000 0.000 0.278 69 K C 0.414 176.925 176.600 -0.147 0.000 0.981 69 K CA 0.256 56.312 56.287 -0.384 0.000 1.009 69 K CB 0.063 32.447 32.500 -0.192 0.000 0.895 69 K HN 0.606 nan 8.250 nan 0.000 0.493 70 N N 0.281 118.898 118.700 -0.139 0.000 2.828 70 N HA -0.244 4.496 4.740 0.000 0.000 0.248 70 N C -0.286 175.286 175.510 0.103 0.000 1.044 70 N CA 1.506 54.599 53.050 0.072 0.000 0.851 70 N CB -0.986 37.558 38.487 0.094 0.000 1.136 70 N HN 0.548 nan 8.380 nan 0.000 0.572 71 F N 0.104 119.957 119.950 -0.162 0.000 2.009 71 F HA 0.562 5.090 4.527 0.000 0.000 0.228 71 F C 0.277 175.985 175.800 -0.152 0.000 1.168 71 F CA 1.088 59.004 58.000 -0.141 0.000 1.286 71 F CB -0.069 38.843 39.000 -0.145 0.000 1.725 71 F HN -0.015 nan 8.300 nan 0.000 0.418 72 M N 1.050 120.345 119.600 -0.509 0.000 2.949 72 M HA 0.498 4.978 4.480 0.000 0.000 0.270 72 M C -1.860 174.200 176.300 -0.401 0.000 1.221 72 M CA -0.976 53.995 55.300 -0.548 0.000 0.818 72 M CB 1.801 33.872 32.600 -0.881 0.000 1.635 72 M HN 0.207 nan 8.290 nan 0.000 0.492 73 I N -1.002 119.401 120.570 -0.280 0.000 2.509 73 I HA 0.826 4.996 4.170 0.000 0.000 0.293 73 I C -1.202 174.847 176.117 -0.113 0.000 1.020 73 I CA -0.630 60.521 61.300 -0.248 0.000 1.088 73 I CB 1.993 39.758 38.000 -0.393 0.000 1.267 73 I HN 0.954 nan 8.210 nan 0.000 0.430 74 Q N 4.068 123.809 119.800 -0.099 0.000 2.365 74 Q HA 0.821 5.161 4.340 0.000 0.000 0.269 74 Q C -0.936 174.977 176.000 -0.145 0.000 1.061 74 Q CA -0.626 55.096 55.803 -0.136 0.000 0.816 74 Q CB 2.458 31.044 28.738 -0.252 0.000 1.325 74 Q HN 1.101 nan 8.270 nan 0.000 0.446 75 G N -0.216 108.381 108.800 -0.339 0.000 2.619 75 G HA2 0.566 4.526 3.960 0.000 0.000 0.305 75 G HA3 0.566 4.526 3.960 0.000 0.000 0.305 75 G C 0.021 174.807 174.900 -0.190 0.000 1.330 75 G CA -0.109 44.799 45.100 -0.320 0.000 0.789 75 G HN 1.240 nan 8.290 nan 0.000 0.487 76 G N -0.798 108.048 108.800 0.077 0.000 2.184 76 G HA2 -0.150 3.810 3.960 0.000 0.000 0.206 76 G HA3 -0.150 3.810 3.960 0.000 0.000 0.206 76 G C 0.009 175.122 174.900 0.354 0.000 0.995 76 G CA 0.654 46.083 45.100 0.548 0.000 0.651 76 G HN 0.994 nan 8.290 nan 0.000 0.511 77 D N 0.968 121.417 120.400 0.081 0.000 2.468 77 D HA 0.471 5.111 4.640 0.000 0.000 0.218 77 D C 1.345 177.584 176.300 -0.102 0.000 1.155 77 D CA -0.937 52.967 54.000 -0.161 0.000 0.924 77 D CB -0.693 39.926 40.800 -0.303 0.000 1.029 77 D HN 0.363 nan 8.370 nan 0.000 0.515 78 F N 0.785 120.757 119.950 0.036 0.000 2.765 78 F HA 0.187 4.714 4.527 0.000 0.000 0.302 78 F C 1.651 177.447 175.800 -0.007 0.000 1.111 78 F CA 0.112 58.120 58.000 0.014 0.000 1.359 78 F CB -0.220 38.790 39.000 0.017 0.000 1.097 78 F HN 0.162 nan 8.300 nan 0.000 0.577 79 T N -3.764 110.667 114.554 -0.204 0.000 3.034 79 T HA 0.231 4.581 4.350 0.000 0.000 0.248 79 T C 1.540 176.199 174.700 -0.069 0.000 1.040 79 T CA 0.059 62.106 62.100 -0.087 0.000 1.107 79 T CB 0.125 68.891 68.868 -0.170 0.000 0.932 79 T HN 0.064 nan 8.240 nan 0.000 0.474 80 K N 0.445 120.776 120.400 -0.115 0.000 2.462 80 K HA 0.380 4.700 4.320 0.000 0.000 0.201 80 K C 1.599 178.141 176.600 -0.096 0.000 1.268 80 K CA 0.791 57.023 56.287 -0.092 0.000 0.933 80 K CB 0.252 32.687 32.500 -0.107 0.000 1.162 80 K HN 0.473 nan 8.250 nan 0.000 0.527 81 G N 3.729 112.445 108.800 -0.141 0.000 2.179 81 G HA2 -0.250 3.710 3.960 0.000 0.000 0.257 81 G HA3 -0.250 3.710 3.960 0.000 0.000 0.257 81 G C -0.040 174.734 174.900 -0.210 0.000 1.010 81 G CA 1.084 46.098 45.100 -0.143 0.000 0.736 81 G HN 0.451 nan 8.290 nan 0.000 0.513 82 D N -2.385 117.829 120.400 -0.310 0.000 2.602 82 D HA 0.407 5.047 4.640 0.000 0.000 0.265 82 D C 1.510 177.635 176.300 -0.293 0.000 1.454 82 D CA 0.685 54.548 54.000 -0.227 0.000 0.795 82 D CB -0.417 40.342 40.800 -0.068 0.000 1.140 82 D HN 1.437 nan 8.370 nan 0.000 0.486 83 G N 0.627 109.041 108.800 -0.643 0.000 2.225 83 G HA2 -0.373 3.587 3.960 0.000 0.000 0.254 83 G HA3 -0.373 3.587 3.960 0.000 0.000 0.254 83 G C 1.219 176.065 174.900 -0.090 0.000 0.988 83 G CA 0.979 45.929 45.100 -0.250 0.000 0.625 83 G HN 0.720 nan 8.290 nan 0.000 0.527 84 T N -1.478 113.012 114.554 -0.106 0.000 3.057 84 T HA 0.525 4.875 4.350 0.000 0.000 0.254 84 T C 1.547 176.200 174.700 -0.078 0.000 1.094 84 T CA 1.377 63.441 62.100 -0.060 0.000 1.088 84 T CB 0.547 69.388 68.868 -0.045 0.000 0.934 84 T HN 1.353 nan 8.240 nan 0.000 0.497 85 G N -0.108 108.615 108.800 -0.128 0.000 2.890 85 G HA2 0.631 4.591 3.960 0.000 0.000 0.189 85 G HA3 0.631 4.591 3.960 0.000 0.000 0.189 85 G C 0.259 175.034 174.900 -0.208 0.000 1.342 85 G CA -0.441 44.567 45.100 -0.153 0.000 1.026 85 G HN 1.158 nan 8.290 nan 0.000 0.579 86 G N -1.679 106.910 108.800 -0.352 0.000 2.619 86 G HA2 0.340 4.300 3.960 0.000 0.000 0.686 86 G HA3 0.340 4.300 3.960 0.000 0.000 0.686 86 G C -0.746 173.950 174.900 -0.340 0.000 1.256 86 G CA 0.298 45.067 45.100 -0.552 0.000 0.826 86 G HN 0.912 nan 8.290 nan 0.000 0.619 87 E N -1.132 118.888 120.200 -0.300 0.000 2.407 87 E HA 0.648 4.998 4.350 0.000 0.000 0.279 87 E C 0.190 176.869 176.600 0.132 0.000 1.012 87 E CA -0.190 56.203 56.400 -0.011 0.000 0.800 87 E CB 1.564 31.281 29.700 0.028 0.000 1.276 87 E HN 1.303 nan 8.360 nan 0.000 0.452 88 S N 1.513 117.307 115.700 0.158 0.000 2.687 88 S HA 0.326 4.796 4.470 0.000 0.000 0.283 88 S C 1.529 176.093 174.600 -0.060 0.000 1.170 88 S CA -0.516 57.764 58.200 0.133 0.000 1.008 88 S CB 0.640 64.088 63.200 0.413 0.000 1.026 88 S HN 0.634 nan 8.310 nan 0.000 0.541 89 I N -2.148 118.211 120.570 -0.351 0.000 2.614 89 I HA -0.029 4.142 4.170 0.000 0.000 0.258 89 I C 1.031 176.948 176.117 -0.334 0.000 1.189 89 I CA 0.939 61.998 61.300 -0.402 0.000 1.462 89 I CB -0.664 36.997 38.000 -0.566 0.000 1.092 89 I HN 0.577 nan 8.210 nan 0.000 0.442 90 Y N 2.876 123.138 120.300 -0.063 0.000 2.529 90 Y HA 0.420 4.970 4.550 0.000 0.000 0.290 90 Y C 1.474 177.380 175.900 0.011 0.000 1.177 90 Y CA -0.267 57.806 58.100 -0.045 0.000 1.305 90 Y CB -0.942 37.480 38.460 -0.062 0.000 1.047 90 Y HN 0.356 nan 8.280 nan 0.000 0.522 91 G N -0.300 108.573 108.800 0.122 0.000 3.402 91 G HA2 0.323 4.284 3.960 0.000 0.000 0.686 91 G HA3 0.323 4.284 3.960 0.000 0.000 0.686 91 G C 0.452 175.431 174.900 0.132 0.000 0.983 91 G CA -0.401 44.759 45.100 0.100 0.000 0.821 91 G HN 1.055 nan 8.290 nan 0.000 0.500 92 G N 2.006 110.870 108.800 0.107 0.000 2.514 92 G HA2 0.040 4.001 3.960 0.000 0.000 0.265 92 G HA3 0.040 4.001 3.960 0.000 0.000 0.265 92 G C 0.391 175.385 174.900 0.157 0.000 1.150 92 G CA 1.187 46.350 45.100 0.104 0.000 0.959 92 G HN 1.734 nan 8.290 nan 0.000 0.556 93 M N 0.312 120.008 119.600 0.159 0.000 2.716 93 M HA 0.748 5.228 4.480 0.000 0.000 0.307 93 M C -0.312 176.152 176.300 0.274 0.000 1.223 93 M CA -0.685 54.720 55.300 0.175 0.000 0.871 93 M CB 2.263 34.886 32.600 0.038 0.000 1.739 93 M HN 0.705 nan 8.290 nan 0.000 0.475 94 F N -1.990 118.030 119.950 0.117 0.000 2.577 94 F HA 0.663 5.190 4.527 0.000 0.000 0.318 94 F C -0.586 175.231 175.800 0.028 0.000 1.065 94 F CA -1.370 56.674 58.000 0.073 0.000 0.929 94 F CB 0.629 39.703 39.000 0.125 0.000 1.237 94 F HN 0.383 nan 8.300 nan 0.000 0.468 95 D N 1.264 121.719 120.400 0.092 0.000 2.362 95 D HA 0.021 4.661 4.640 0.000 0.000 0.238 95 D C -0.503 175.761 176.300 -0.061 0.000 1.212 95 D CA 0.274 54.265 54.000 -0.015 0.000 0.902 95 D CB 0.562 41.361 40.800 -0.001 0.000 1.180 95 D HN 0.511 nan 8.370 nan 0.000 0.445 96 D N 1.302 121.625 120.400 -0.129 0.000 2.351 96 D HA 0.077 4.717 4.640 0.000 0.000 0.251 96 D C 0.684 176.822 176.300 -0.269 0.000 1.137 96 D CA 0.151 54.002 54.000 -0.247 0.000 0.879 96 D CB 1.071 41.641 40.800 -0.384 0.000 1.181 96 D HN 0.255 nan 8.370 nan 0.000 0.448 97 E N 0.634 120.694 120.200 -0.233 0.000 2.622 97 E HA 0.074 4.424 4.350 0.000 0.000 0.255 97 E C 0.164 176.563 176.600 -0.335 0.000 1.313 97 E CA -0.603 55.691 56.400 -0.177 0.000 1.011 97 E CB 0.803 30.468 29.700 -0.058 0.000 1.173 97 E HN 0.374 nan 8.360 nan 0.000 0.601 98 E N 0.640 120.728 120.200 -0.187 0.000 2.417 98 E HA -0.069 4.282 4.350 0.000 0.000 0.261 98 E C -0.755 175.760 176.600 -0.142 0.000 1.000 98 E CA -0.188 56.120 56.400 -0.154 0.000 0.919 98 E CB 0.242 29.922 29.700 -0.033 0.000 0.955 98 E HN 0.242 nan 8.360 nan 0.000 0.455 99 F N 5.052 125.029 119.950 0.045 0.000 2.625 99 F HA -0.007 4.520 4.527 0.000 0.000 0.373 99 F C 1.184 177.003 175.800 0.032 0.000 1.158 99 F CA -0.151 57.877 58.000 0.048 0.000 1.354 99 F CB -0.350 38.683 39.000 0.054 0.000 1.692 99 F HN 0.374 nan 8.300 nan 0.000 0.634 100 V N -0.255 119.739 119.914 0.133 0.000 2.270 100 V HA -0.213 3.907 4.120 0.000 0.000 0.245 100 V C 1.503 177.628 176.094 0.052 0.000 1.043 100 V CA 1.250 63.600 62.300 0.083 0.000 1.014 100 V CB -0.307 31.547 31.823 0.052 0.000 0.645 100 V HN 0.353 nan 8.190 nan 0.000 0.447 101 M N 0.229 119.835 119.600 0.011 0.000 2.235 101 M HA 0.276 4.756 4.480 0.000 0.000 0.351 101 M C -0.063 176.195 176.300 -0.069 0.000 1.178 101 M CA 0.538 55.791 55.300 -0.077 0.000 1.143 101 M CB 0.852 33.330 32.600 -0.203 0.000 1.530 101 M HN 0.150 nan 8.290 nan 0.000 0.461 102 K N 0.552 120.899 120.400 -0.089 0.000 2.280 102 K HA 0.382 4.702 4.320 0.000 0.000 0.234 102 K C -0.843 175.667 176.600 -0.150 0.000 1.028 102 K CA -0.883 55.373 56.287 -0.051 0.000 0.882 102 K CB 1.028 33.546 32.500 0.030 0.000 1.194 102 K HN 0.556 nan 8.250 nan 0.000 0.458 103 H N 0.911 119.987 119.070 0.010 0.000 2.557 103 H HA 0.047 4.603 4.556 0.000 0.000 0.236 103 H C -0.458 174.877 175.328 0.012 0.000 1.676 103 H CA -0.193 55.862 56.048 0.012 0.000 1.197 103 H CB -0.296 29.490 29.762 0.040 0.000 1.604 103 H HN 0.560 nan 8.280 nan 0.000 0.509 104 D N -1.316 119.124 120.400 0.067 0.000 2.366 104 D HA -0.007 4.633 4.640 0.000 0.000 0.205 104 D C 0.295 176.620 176.300 0.041 0.000 1.022 104 D CA 0.122 54.155 54.000 0.054 0.000 0.868 104 D CB 0.529 41.350 40.800 0.035 0.000 0.953 104 D HN 0.383 nan 8.370 nan 0.000 0.514 105 E N 0.368 120.584 120.200 0.027 0.000 2.244 105 E HA 0.442 4.792 4.350 0.000 0.000 0.266 105 E C -2.623 173.991 176.600 0.023 0.000 0.914 105 E CA -2.397 54.023 56.400 0.034 0.000 0.794 105 E CB 2.068 31.790 29.700 0.037 0.000 1.210 105 E HN -0.045 nan 8.360 nan 0.000 0.414 106 P HA 0.113 nan 4.420 nan 0.000 0.274 106 P C -0.920 176.361 177.300 -0.032 0.000 1.237 106 P CA -0.148 62.867 63.100 -0.142 0.000 0.793 106 P CB 0.183 31.757 31.700 -0.210 0.000 0.977 107 F N -2.311 117.644 119.950 0.009 0.000 3.028 107 F HA -0.168 4.359 4.527 0.000 0.000 0.306 107 F C 0.521 176.278 175.800 -0.072 0.000 0.896 107 F CA 0.129 58.116 58.000 -0.021 0.000 1.184 107 F CB -2.524 36.471 39.000 -0.007 0.000 1.213 107 F HN 0.041 nan 8.300 nan 0.000 0.629 108 V N -2.238 117.665 119.914 -0.017 0.000 2.837 108 V HA 0.891 5.011 4.120 0.000 0.000 0.310 108 V C 0.218 176.143 176.094 -0.281 0.000 1.059 108 V CA -1.052 61.149 62.300 -0.165 0.000 1.004 108 V CB 2.117 33.797 31.823 -0.237 0.000 1.045 108 V HN 0.043 nan 8.190 nan 0.000 0.465 109 V N 2.831 122.444 119.914 -0.502 0.000 2.384 109 V HA 0.661 4.781 4.120 0.000 0.000 0.287 109 V C 0.243 175.749 176.094 -0.979 0.000 1.020 109 V CA 0.115 61.987 62.300 -0.714 0.000 0.850 109 V CB 0.726 31.978 31.823 -0.952 0.000 0.987 109 V HN 1.148 nan 8.190 nan 0.000 0.436 110 S N 4.830 120.003 115.700 -0.879 0.000 2.671 110 S HA 0.761 5.231 4.470 0.000 0.000 0.299 110 S C -0.646 173.849 174.600 -0.176 0.000 1.116 110 S CA -0.834 56.993 58.200 -0.622 0.000 0.912 110 S CB 1.617 64.345 63.200 -0.786 0.000 1.130 110 S HN 0.546 nan 8.310 nan 0.000 0.501 111 M N 2.947 122.727 119.600 0.300 0.000 2.144 111 M HA 0.457 4.937 4.480 0.000 0.000 0.356 111 M C 0.352 177.000 176.300 0.580 0.000 1.217 111 M CA -0.474 55.102 55.300 0.459 0.000 1.087 111 M CB 0.511 33.333 32.600 0.369 0.000 1.609 111 M HN 0.785 nan 8.290 nan 0.000 0.467 112 A N 4.464 127.617 122.820 0.555 0.000 2.287 112 A HA 0.714 5.034 4.320 0.000 0.000 0.273 112 A C 0.118 177.948 177.584 0.410 0.000 1.091 112 A CA -0.283 52.071 52.037 0.528 0.000 0.817 112 A CB 0.421 19.650 19.000 0.381 0.000 1.069 112 A HN 0.977 nan 8.150 nan 0.000 0.492 113 N N -1.444 117.476 118.700 0.366 0.000 3.378 113 N HA 0.331 5.071 4.740 0.000 0.000 0.294 113 N C -0.954 174.646 175.510 0.150 0.000 1.544 113 N CA -0.334 52.838 53.050 0.203 0.000 0.872 113 N CB 0.709 39.278 38.487 0.137 0.000 1.670 113 N HN 0.467 nan 8.380 nan 0.000 0.551 114 K N -1.104 119.344 120.400 0.080 0.000 2.706 114 K HA 0.589 4.909 4.320 0.000 0.000 0.203 114 K C 0.064 176.682 176.600 0.030 0.000 1.102 114 K CA -0.200 56.121 56.287 0.057 0.000 1.058 114 K CB 0.349 32.875 32.500 0.043 0.000 0.779 114 K HN 0.931 nan 8.250 nan 0.000 0.483 115 G N 1.418 110.228 108.800 0.017 0.000 2.346 115 G HA2 -0.010 3.950 3.960 0.000 0.000 0.294 115 G HA3 -0.010 3.950 3.960 0.000 0.000 0.294 115 G C -3.214 171.688 174.900 0.003 0.000 1.294 115 G CA -1.171 43.930 45.100 0.001 0.000 0.962 115 G HN -0.049 nan 8.290 nan 0.000 0.508 116 P HA 0.177 nan 4.420 nan 0.000 0.266 116 P C -0.021 177.292 177.300 0.020 0.000 1.195 116 P CA 0.214 63.340 63.100 0.042 0.000 0.768 116 P CB 0.163 31.889 31.700 0.043 0.000 0.838 117 N N 0.824 119.532 118.700 0.013 0.000 2.678 117 N HA -0.161 4.579 4.740 0.000 0.000 0.268 117 N C 0.074 175.553 175.510 -0.052 0.000 1.010 117 N CA 1.452 54.479 53.050 -0.039 0.000 0.784 117 N CB -1.395 37.080 38.487 -0.019 0.000 0.905 117 N HN 0.578 nan 8.380 nan 0.000 0.552 118 T N -4.316 110.198 114.554 -0.067 0.000 3.231 118 T HA 0.084 4.434 4.350 0.000 0.000 0.292 118 T C 0.314 174.960 174.700 -0.090 0.000 1.001 118 T CA -0.568 61.502 62.100 -0.050 0.000 0.920 118 T CB 0.423 69.289 68.868 -0.004 0.000 1.140 118 T HN 0.124 nan 8.240 nan 0.000 0.525 119 N N 1.747 120.300 118.700 -0.244 0.000 2.454 119 N HA 0.284 5.024 4.740 0.000 0.000 0.260 119 N C 0.835 176.202 175.510 -0.239 0.000 1.218 119 N CA 0.704 53.544 53.050 -0.349 0.000 0.904 119 N CB 1.511 39.477 38.487 -0.868 0.000 1.065 119 N HN 0.534 nan 8.380 nan 0.000 0.462 120 G N 0.577 109.385 108.800 0.012 0.000 2.474 120 G HA2 0.031 3.991 3.960 0.000 0.000 0.205 120 G HA3 0.031 3.991 3.960 0.000 0.000 0.205 120 G C 0.698 175.751 174.900 0.254 0.000 1.934 120 G CA 0.225 45.405 45.100 0.133 0.000 0.713 120 G HN 0.567 nan 8.290 nan 0.000 0.773 121 S N -1.018 114.823 115.700 0.236 0.000 2.684 121 S HA 0.260 4.731 4.470 0.000 0.000 0.268 121 S C 0.451 175.406 174.600 0.592 0.000 1.075 121 S CA -0.191 58.241 58.200 0.387 0.000 1.184 121 S CB 0.207 63.604 63.200 0.330 0.000 1.129 121 S HN 0.342 nan 8.310 nan 0.000 0.630 122 Q N 1.769 121.820 119.800 0.418 0.000 2.297 122 Q HA 0.481 4.821 4.340 0.000 0.000 0.267 122 Q C -0.728 175.617 176.000 0.575 0.000 1.006 122 Q CA -0.030 56.043 55.803 0.450 0.000 0.896 122 Q CB 0.426 29.326 28.738 0.270 0.000 1.186 122 Q HN 0.649 nan 8.270 nan 0.000 0.392 123 F N 0.762 120.927 119.950 0.357 0.000 2.691 123 F HA 0.833 5.360 4.527 0.000 0.000 0.334 123 F C -1.019 174.982 175.800 0.334 0.000 1.107 123 F CA -2.065 56.138 58.000 0.337 0.000 0.991 123 F CB 0.972 40.212 39.000 0.399 0.000 1.400 123 F HN 0.401 nan 8.300 nan 0.000 0.503 124 F N -0.795 119.200 119.950 0.076 0.000 2.645 124 F HA 0.837 5.364 4.527 0.000 0.000 0.310 124 F C -1.955 173.842 175.800 -0.004 0.000 1.102 124 F CA -1.863 56.059 58.000 -0.130 0.000 0.952 124 F CB 1.607 40.476 39.000 -0.218 0.000 1.326 124 F HN 0.463 nan 8.300 nan 0.000 0.456 125 I N 2.405 123.052 120.570 0.129 0.000 2.439 125 I HA 0.352 4.522 4.170 0.000 0.000 0.285 125 I C -0.081 176.046 176.117 0.016 0.000 1.021 125 I CA -0.759 60.572 61.300 0.052 0.000 1.091 125 I CB 2.248 40.314 38.000 0.111 0.000 1.242 125 I HN 0.890 nan 8.210 nan 0.000 0.439 126 T N 0.591 115.152 114.554 0.011 0.000 2.788 126 T HA 0.315 4.665 4.350 0.000 0.000 0.287 126 T C 0.793 175.296 174.700 -0.328 0.000 1.007 126 T CA -0.025 62.019 62.100 -0.094 0.000 1.005 126 T CB 1.383 70.274 68.868 0.037 0.000 1.012 126 T HN 0.735 nan 8.240 nan 0.000 0.530 127 T N -3.119 111.202 114.554 -0.389 0.000 3.144 127 T HA 0.378 4.728 4.350 0.000 0.000 0.290 127 T C 0.323 174.775 174.700 -0.415 0.000 0.966 127 T CA -0.034 61.620 62.100 -0.743 0.000 0.907 127 T CB 0.098 68.690 68.868 -0.461 0.000 1.152 127 T HN 0.926 nan 8.240 nan 0.000 0.532 128 T N 1.545 115.988 114.554 -0.185 0.000 2.840 128 T HA 0.553 4.903 4.350 0.000 0.000 0.317 128 T C -3.266 171.455 174.700 0.036 0.000 1.401 128 T CA -1.358 60.716 62.100 -0.044 0.000 1.028 128 T CB 1.609 70.494 68.868 0.028 0.000 1.317 128 T HN -0.209 nan 8.240 nan 0.000 0.495 129 P HA 0.438 nan 4.420 nan 0.000 0.268 129 P C -1.266 176.114 177.300 0.133 0.000 1.205 129 P CA -0.123 63.030 63.100 0.090 0.000 0.771 129 P CB 0.624 32.364 31.700 0.067 0.000 0.858 130 A N 4.798 127.704 122.820 0.144 0.000 3.308 130 A HA 0.311 4.631 4.320 0.000 0.000 0.275 130 A C -1.441 176.077 177.584 -0.110 0.000 0.950 130 A CA -0.892 51.175 52.037 0.050 0.000 0.987 130 A CB 0.073 19.090 19.000 0.029 0.000 1.146 130 A HN 0.342 nan 8.150 nan 0.000 0.488 131 P HA -0.289 nan 4.420 nan 0.000 0.218 131 P C 1.169 178.457 177.300 -0.019 0.000 1.152 131 P CA 1.942 65.067 63.100 0.041 0.000 0.857 131 P CB -0.404 31.340 31.700 0.073 0.000 0.787 132 H N -0.565 118.481 119.070 -0.039 0.000 2.543 132 H HA 0.020 4.576 4.556 0.000 0.000 0.286 132 H C 1.641 176.935 175.328 -0.057 0.000 1.037 132 H CA 0.586 56.599 56.048 -0.058 0.000 1.250 132 H CB -1.089 28.620 29.762 -0.088 0.000 1.373 132 H HN 0.230 nan 8.280 nan 0.000 0.580 133 L N 0.401 121.302 121.223 -0.537 0.000 2.585 133 L HA 0.096 4.436 4.340 0.000 0.000 0.226 133 L C 0.166 176.969 176.870 -0.111 0.000 1.113 133 L CA -0.318 54.295 54.840 -0.378 0.000 0.876 133 L CB -0.144 41.441 42.059 -0.791 0.000 1.072 133 L HN 0.009 nan 8.230 nan 0.000 0.468 134 N N 1.699 120.388 118.700 -0.019 0.000 2.407 134 N HA -0.048 4.692 4.740 0.000 0.000 0.250 134 N C 0.617 176.040 175.510 -0.145 0.000 1.236 134 N CA 0.425 53.519 53.050 0.074 0.000 0.879 134 N CB 0.105 38.630 38.487 0.064 0.000 1.088 134 N HN 0.121 nan 8.380 nan 0.000 0.450 135 N N -0.151 118.351 118.700 -0.329 0.000 2.900 135 N HA -0.189 4.551 4.740 0.000 0.000 0.240 135 N C 0.215 174.833 175.510 -1.487 0.000 0.953 135 N CA 0.775 53.271 53.050 -0.924 0.000 0.950 135 N CB -0.590 37.660 38.487 -0.394 0.000 1.102 135 N HN 0.464 nan 8.380 nan 0.000 0.593 136 I N -0.400 119.650 120.570 -0.866 0.000 3.565 136 I HA 0.057 4.227 4.170 0.000 0.000 0.287 136 I C 0.652 176.519 176.117 -0.416 0.000 1.193 136 I CA 0.996 61.925 61.300 -0.618 0.000 1.402 136 I CB -0.247 37.535 38.000 -0.362 0.000 1.284 136 I HN 0.097 nan 8.210 nan 0.000 0.454 137 H N 1.216 120.375 119.070 0.149 0.000 2.495 137 H HA 0.423 4.979 4.556 0.000 0.000 0.348 137 H C -0.529 175.177 175.328 0.629 0.000 1.113 137 H CA -0.563 55.770 56.048 0.474 0.000 1.195 137 H CB 2.936 33.008 29.762 0.517 0.000 1.521 137 H HN -0.259 nan 8.280 nan 0.000 0.509 138 V N 4.473 124.768 119.914 0.634 0.000 2.405 138 V HA 0.005 4.125 4.120 0.000 0.000 0.264 138 V C 0.505 176.786 176.094 0.311 0.000 1.048 138 V CA -0.390 62.158 62.300 0.413 0.000 0.966 138 V CB 0.710 32.641 31.823 0.180 0.000 1.015 138 V HN 0.422 nan 8.190 nan 0.000 0.477 139 V N 7.232 127.224 119.914 0.130 0.000 2.461 139 V HA 0.264 4.384 4.120 0.000 0.000 0.275 139 V C 0.530 176.618 176.094 -0.011 0.000 1.047 139 V CA 0.165 62.394 62.300 -0.119 0.000 0.955 139 V CB 0.740 32.350 31.823 -0.354 0.000 0.988 139 V HN 0.932 nan 8.190 nan 0.000 0.471 140 F N 1.880 121.721 119.950 -0.181 0.000 2.925 140 F HA 0.775 5.302 4.527 0.000 0.000 0.355 140 F C 0.607 176.344 175.800 -0.105 0.000 1.073 140 F CA -0.008 57.922 58.000 -0.117 0.000 1.127 140 F CB 0.089 39.062 39.000 -0.046 0.000 1.123 140 F HN 0.507 nan 8.300 nan 0.000 0.551 141 G N 0.705 109.062 108.800 -0.739 0.000 2.949 141 G HA2 0.607 4.567 3.960 0.000 0.000 0.285 141 G HA3 0.607 4.567 3.960 0.000 0.000 0.285 141 G C -2.085 172.635 174.900 -0.300 0.000 1.395 141 G CA -1.138 43.702 45.100 -0.434 0.000 0.901 141 G HN 0.160 nan 8.290 nan 0.000 0.519 142 K N -0.365 119.997 120.400 -0.064 0.000 2.561 142 K HA 0.471 4.791 4.320 0.000 0.000 0.254 142 K C -1.144 175.479 176.600 0.039 0.000 0.942 142 K CA -0.540 55.754 56.287 0.011 0.000 0.818 142 K CB 1.873 34.470 32.500 0.161 0.000 1.306 142 K HN 0.418 nan 8.250 nan 0.000 0.435 143 V N 5.654 125.595 119.914 0.045 0.000 2.479 143 V HA 0.073 4.193 4.120 0.000 0.000 0.281 143 V C 1.161 177.248 176.094 -0.012 0.000 1.031 143 V CA 0.293 62.608 62.300 0.025 0.000 1.038 143 V CB 0.797 32.634 31.823 0.024 0.000 0.981 143 V HN 0.701 nan 8.190 nan 0.000 0.478 144 V N 1.917 121.827 119.914 -0.006 0.000 3.621 144 V HA 0.390 4.510 4.120 0.000 0.000 0.263 144 V C 0.606 176.674 176.094 -0.043 0.000 1.272 144 V CA 0.710 63.001 62.300 -0.016 0.000 1.080 144 V CB 0.281 32.110 31.823 0.009 0.000 0.816 144 V HN 0.840 nan 8.190 nan 0.000 0.451 145 S N -1.269 114.402 115.700 -0.048 0.000 2.537 145 S HA 0.658 5.128 4.470 0.000 0.000 0.271 145 S C 0.361 174.925 174.600 -0.061 0.000 1.148 145 S CA 0.424 58.590 58.200 -0.057 0.000 0.868 145 S CB 1.158 64.343 63.200 -0.025 0.000 1.115 145 S HN 1.989 nan 8.310 nan 0.000 0.461 146 G N 2.392 111.144 108.800 -0.081 0.000 2.137 146 G HA2 -0.278 3.682 3.960 0.000 0.000 0.237 146 G HA3 -0.278 3.682 3.960 0.000 0.000 0.237 146 G C 0.800 175.631 174.900 -0.115 0.000 1.002 146 G CA 0.504 45.566 45.100 -0.063 0.000 0.702 146 G HN 1.071 nan 8.290 nan 0.000 0.515 147 Q N 0.735 120.375 119.800 -0.267 0.000 2.364 147 Q HA -0.085 4.255 4.340 0.000 0.000 0.207 147 Q C 1.924 177.803 176.000 -0.201 0.000 0.970 147 Q CA 1.576 57.082 55.803 -0.496 0.000 0.888 147 Q CB -0.367 27.532 28.738 -1.398 0.000 0.951 147 Q HN 0.815 nan 8.270 nan 0.000 0.469 148 E N 1.267 121.404 120.200 -0.104 0.000 2.274 148 E HA -0.060 4.290 4.350 0.000 0.000 0.194 148 E C 1.819 178.438 176.600 0.032 0.000 0.996 148 E CA 0.764 57.164 56.400 0.000 0.000 0.840 148 E CB -0.391 29.304 29.700 -0.010 0.000 0.772 148 E HN 0.214 nan 8.360 nan 0.000 0.491 149 V N 1.470 121.390 119.914 0.010 0.000 2.379 149 V HA -0.185 3.935 4.120 0.000 0.000 0.245 149 V C 2.669 178.773 176.094 0.016 0.000 1.044 149 V CA 1.291 63.602 62.300 0.018 0.000 1.036 149 V CB -0.290 31.546 31.823 0.022 0.000 0.664 149 V HN 0.104 nan 8.190 nan 0.000 0.453 150 V N 0.200 120.143 119.914 0.047 0.000 2.332 150 V HA -0.278 3.842 4.120 0.000 0.000 0.248 150 V C 2.561 178.709 176.094 0.090 0.000 1.055 150 V CA 2.663 65.001 62.300 0.063 0.000 1.038 150 V CB -1.060 30.929 31.823 0.277 0.000 0.651 150 V HN 0.618 nan 8.190 nan 0.000 0.450 151 T N -0.376 114.297 114.554 0.199 0.000 2.701 151 T HA -0.208 4.142 4.350 0.000 0.000 0.263 151 T C 1.976 176.808 174.700 0.221 0.000 1.040 151 T CA 1.743 63.995 62.100 0.253 0.000 1.147 151 T CB -0.258 68.776 68.868 0.275 0.000 0.865 151 T HN 0.331 nan 8.240 nan 0.000 0.426 152 K N 1.522 122.000 120.400 0.130 0.000 2.015 152 K HA -0.112 4.209 4.320 0.000 0.000 0.216 152 K C 2.009 178.652 176.600 0.071 0.000 1.052 152 K CA 1.617 57.962 56.287 0.098 0.000 0.937 152 K CB -0.982 31.549 32.500 0.052 0.000 0.719 152 K HN 0.389 nan 8.250 nan 0.000 0.446 153 I N 0.651 121.218 120.570 -0.005 0.000 2.163 153 I HA -0.280 3.891 4.170 0.000 0.000 0.243 153 I C 2.589 178.639 176.117 -0.110 0.000 1.085 153 I CA 1.875 63.126 61.300 -0.082 0.000 1.347 153 I CB -0.419 37.447 38.000 -0.224 0.000 1.044 153 I HN 0.444 nan 8.210 nan 0.000 0.408 154 E N 0.470 120.579 120.200 -0.152 0.000 2.209 154 E HA -0.233 4.117 4.350 0.000 0.000 0.196 154 E C 1.275 177.627 176.600 -0.414 0.000 0.993 154 E CA 1.340 57.557 56.400 -0.306 0.000 0.819 154 E CB 0.022 29.481 29.700 -0.402 0.000 0.745 154 E HN 0.584 nan 8.360 nan 0.000 0.477 155 Y N 0.204 120.485 120.300 -0.030 0.000 2.532 155 Y HA 0.249 4.800 4.550 0.000 0.000 0.283 155 Y C 0.440 176.332 175.900 -0.013 0.000 1.181 155 Y CA -0.464 57.627 58.100 -0.016 0.000 1.256 155 Y CB 0.292 38.748 38.460 -0.007 0.000 1.112 155 Y HN -0.043 nan 8.280 nan 0.000 0.521 156 L N 0.955 122.208 121.223 0.050 0.000 2.473 156 L HA 0.038 4.378 4.340 0.000 0.000 0.268 156 L C 0.582 177.468 176.870 0.027 0.000 1.215 156 L CA -0.341 54.522 54.840 0.038 0.000 0.823 156 L CB 0.518 42.584 42.059 0.011 0.000 1.099 156 L HN 0.042 nan 8.230 nan 0.000 0.483 157 K N 1.168 121.586 120.400 0.031 0.000 2.326 157 K HA 0.198 4.518 4.320 0.000 0.000 0.275 157 K C -0.375 176.233 176.600 0.013 0.000 1.018 157 K CA -0.056 56.246 56.287 0.025 0.000 0.962 157 K CB 0.738 33.253 32.500 0.026 0.000 0.953 157 K HN 0.685 nan 8.250 nan 0.000 0.475 158 T N 0.554 115.112 114.554 0.008 0.000 2.865 158 T HA 0.448 4.799 4.350 0.000 0.000 0.294 158 T C -0.205 174.499 174.700 0.007 0.000 1.119 158 T CA -1.166 60.936 62.100 0.003 0.000 1.007 158 T CB 0.952 69.813 68.868 -0.011 0.000 1.225 158 T HN 0.684 nan 8.240 nan 0.000 0.515 159 N N -0.004 118.701 118.700 0.008 0.000 2.443 159 N HA 0.130 4.870 4.740 0.000 0.000 0.294 159 N C 1.483 176.996 175.510 0.005 0.000 1.289 159 N CA 0.019 53.075 53.050 0.009 0.000 0.966 159 N CB 0.252 38.747 38.487 0.014 0.000 1.122 159 N HN 0.761 nan 8.380 nan 0.000 0.569 160 S N -0.913 114.791 115.700 0.006 0.000 2.442 160 S HA -0.104 4.366 4.470 0.000 0.000 0.236 160 S C 0.954 175.556 174.600 0.002 0.000 1.007 160 S CA 0.866 59.068 58.200 0.003 0.000 0.965 160 S CB -0.381 62.821 63.200 0.004 0.000 0.773 160 S HN 0.646 nan 8.310 nan 0.000 0.504 161 K N 1.102 121.506 120.400 0.007 0.000 2.493 161 K HA 0.275 4.595 4.320 0.000 0.000 0.207 161 K C -0.311 176.291 176.600 0.004 0.000 1.033 161 K CA -0.145 56.148 56.287 0.009 0.000 1.161 161 K CB 0.048 32.560 32.500 0.020 0.000 0.873 161 K HN 0.179 nan 8.250 nan 0.000 0.491 162 N N 1.509 120.206 118.700 -0.005 0.000 2.782 162 N HA -0.208 4.532 4.740 0.000 0.000 0.251 162 N C -0.436 175.061 175.510 -0.022 0.000 1.101 162 N CA 0.765 53.802 53.050 -0.021 0.000 0.764 162 N CB -0.883 37.583 38.487 -0.036 0.000 1.122 162 N HN 0.371 nan 8.380 nan 0.000 0.561 163 R N 1.270 121.772 120.500 0.003 0.000 2.254 163 R HA 0.283 4.623 4.340 0.000 0.000 0.318 163 R C -2.459 173.851 176.300 0.017 0.000 1.031 163 R CA -1.339 54.773 56.100 0.019 0.000 0.905 163 R CB 0.825 31.153 30.300 0.047 0.000 1.050 163 R HN -0.183 nan 8.270 nan 0.000 0.456 164 P HA -0.056 nan 4.420 nan 0.000 0.264 164 P C 0.401 177.720 177.300 0.031 0.000 1.193 164 P CA 0.269 63.381 63.100 0.021 0.000 0.763 164 P CB 0.565 32.284 31.700 0.030 0.000 0.810 165 L N 1.957 123.195 121.223 0.026 0.000 2.056 165 L HA -0.100 4.240 4.340 0.000 0.000 0.207 165 L C 1.410 178.300 176.870 0.033 0.000 1.078 165 L CA 1.076 55.933 54.840 0.028 0.000 0.749 165 L CB -0.709 41.364 42.059 0.023 0.000 0.901 165 L HN 0.401 nan 8.230 nan 0.000 0.433 166 A N -0.228 122.613 122.820 0.035 0.000 2.313 166 A HA 0.167 4.487 4.320 0.000 0.000 0.261 166 A C -0.455 177.159 177.584 0.050 0.000 1.090 166 A CA -0.421 51.639 52.037 0.039 0.000 0.807 166 A CB 0.163 19.186 19.000 0.038 0.000 1.055 166 A HN 0.113 nan 8.150 nan 0.000 0.492 167 D N 1.149 121.582 120.400 0.054 0.000 2.359 167 D HA 0.366 5.006 4.640 0.000 0.000 0.230 167 D C -0.717 175.634 176.300 0.084 0.000 1.118 167 D CA 0.094 54.135 54.000 0.067 0.000 0.844 167 D CB 1.338 42.173 40.800 0.058 0.000 1.059 167 D HN 0.100 nan 8.370 nan 0.000 0.493 168 V N 3.470 123.452 119.914 0.114 0.000 2.304 168 V HA 0.145 4.265 4.120 0.000 0.000 0.262 168 V C 0.466 176.671 176.094 0.185 0.000 1.061 168 V CA -0.636 61.760 62.300 0.160 0.000 0.872 168 V CB 1.003 32.947 31.823 0.202 0.000 1.077 168 V HN 0.204 nan 8.190 nan 0.000 0.480 169 V N 6.016 126.015 119.914 0.141 0.000 2.481 169 V HA 0.398 4.518 4.120 0.000 0.000 0.286 169 V C 0.401 176.569 176.094 0.124 0.000 1.042 169 V CA -0.487 61.879 62.300 0.110 0.000 0.928 169 V CB 2.125 33.993 31.823 0.075 0.000 0.986 169 V HN 0.665 nan 8.190 nan 0.000 0.462 170 I N 5.356 125.979 120.570 0.087 0.000 2.227 170 I HA 0.038 4.208 4.170 0.000 0.000 0.297 170 I C 1.274 177.418 176.117 0.044 0.000 1.173 170 I CA -0.157 61.194 61.300 0.084 0.000 1.356 170 I CB 0.615 38.623 38.000 0.014 0.000 1.485 170 I HN 0.596 nan 8.210 nan 0.000 0.604 171 L N 4.518 125.782 121.223 0.068 0.000 2.189 171 L HA -0.105 4.235 4.340 0.000 0.000 0.214 171 L C 0.562 177.453 176.870 0.034 0.000 1.097 171 L CA 1.795 56.663 54.840 0.048 0.000 0.764 171 L CB -0.595 41.502 42.059 0.063 0.000 0.900 171 L HN 0.690 nan 8.230 nan 0.000 0.436 172 N N -2.113 116.620 118.700 0.056 0.000 2.961 172 N HA 0.512 5.252 4.740 0.000 0.000 0.245 172 N C -1.551 173.982 175.510 0.038 0.000 1.404 172 N CA -0.068 53.018 53.050 0.059 0.000 0.880 172 N CB 1.277 39.855 38.487 0.153 0.000 1.461 172 N HN 0.167 nan 8.380 nan 0.000 0.510 173 C N -0.512 118.722 119.300 -0.109 0.000 3.231 173 C HA 1.049 5.510 4.460 0.000 0.000 0.343 173 C C 0.134 174.666 174.990 -0.763 0.000 1.349 173 C CA 0.046 58.712 59.018 -0.586 0.000 1.209 173 C CB 0.948 28.468 27.740 -0.366 0.000 1.475 173 C HN 1.122 nan 8.230 nan 0.000 0.460 174 G N 0.093 108.159 108.800 -1.223 0.000 2.360 174 G HA2 0.492 4.452 3.960 0.000 0.000 0.276 174 G HA3 0.492 4.452 3.960 0.000 0.000 0.276 174 G C -2.081 172.577 174.900 -0.402 0.000 1.256 174 G CA 0.110 44.874 45.100 -0.560 0.000 0.890 174 G HN 1.205 nan 8.290 nan 0.000 0.486 175 E N -0.549 119.647 120.200 -0.008 0.000 2.207 175 E HA 0.641 4.991 4.350 0.000 0.000 0.270 175 E C -0.818 175.955 176.600 0.288 0.000 0.927 175 E CA -0.765 55.708 56.400 0.121 0.000 0.799 175 E CB 1.590 31.330 29.700 0.067 0.000 1.172 175 E HN 0.344 nan 8.360 nan 0.000 0.404 176 L N 5.229 126.610 121.223 0.263 0.000 2.283 176 L HA 0.323 4.663 4.340 0.000 0.000 0.281 176 L C -0.105 176.827 176.870 0.104 0.000 1.033 176 L CA -0.726 54.231 54.840 0.195 0.000 0.848 176 L CB 0.859 43.021 42.059 0.173 0.000 1.226 176 L HN 0.414 nan 8.230 nan 0.000 0.429 177 V N 0.000 119.961 119.914 0.079 0.000 2.409 177 V HA 0.000 4.120 4.120 0.000 0.000 0.244 177 V CA 0.000 62.328 62.300 0.047 0.000 1.235 177 V CB 0.000 31.848 31.823 0.041 0.000 1.184 177 V HN 0.000 nan 8.190 nan 0.000 0.556