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_G 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 0.000 176.340 176.300 0.066 0.000 0.893 6 R CA 0.000 56.156 56.100 0.092 0.000 0.921 6 R CB 0.000 30.375 30.300 0.126 0.000 0.687 7 R N 1.313 121.851 120.500 0.063 0.000 2.892 7 R HA 0.592 4.932 4.340 0.000 0.000 0.265 7 R C -0.501 175.833 176.300 0.057 0.000 1.025 7 R CA -1.140 54.995 56.100 0.058 0.000 0.982 7 R CB 2.073 32.410 30.300 0.062 0.000 1.185 7 R HN 0.341 nan 8.270 nan 0.000 0.484 8 R N 0.776 121.316 120.500 0.067 0.000 2.562 8 R HA 0.493 4.833 4.340 0.000 0.000 0.298 8 R C -0.489 175.890 176.300 0.131 0.000 0.961 8 R CA -0.760 55.389 56.100 0.080 0.000 0.881 8 R CB 2.019 32.358 30.300 0.065 0.000 1.159 8 R HN 0.457 nan 8.270 nan 0.000 0.450 9 V N -0.387 119.623 119.914 0.160 0.000 3.126 9 V HA 0.838 4.958 4.120 0.000 0.000 0.314 9 V C -0.776 175.475 176.094 0.262 0.000 1.138 9 V CA -1.031 61.378 62.300 0.181 0.000 1.034 9 V CB 1.853 33.731 31.823 0.092 0.000 1.075 9 V HN 0.779 nan 8.190 nan 0.000 0.442 10 F N -0.412 119.558 119.950 0.034 0.000 2.685 10 F HA 0.914 5.441 4.527 0.000 0.000 0.315 10 F C -1.750 174.073 175.800 0.040 0.000 1.126 10 F CA -1.379 56.645 58.000 0.039 0.000 0.950 10 F CB 1.922 40.938 39.000 0.027 0.000 1.360 10 F HN 0.509 nan 8.300 nan 0.000 0.469 11 L N 2.380 123.676 121.223 0.121 0.000 2.482 11 L HA 0.382 4.722 4.340 0.000 0.000 0.269 11 L C -1.625 175.368 176.870 0.206 0.000 0.967 11 L CA -0.759 54.110 54.840 0.049 0.000 0.851 11 L CB 1.897 44.026 42.059 0.117 0.000 1.242 11 L HN 0.584 nan 8.230 nan 0.000 0.404 12 D N 2.972 123.493 120.400 0.202 0.000 2.249 12 D HA 0.430 5.070 4.640 0.000 0.000 0.246 12 D C -0.328 176.060 176.300 0.148 0.000 1.114 12 D CA -0.062 54.058 54.000 0.200 0.000 0.854 12 D CB 2.795 43.721 40.800 0.210 0.000 1.132 12 D HN 0.022 nan 8.370 nan 0.000 0.461 13 V N 1.857 121.857 119.914 0.144 0.000 2.667 13 V HA 0.561 4.681 4.120 0.000 0.000 0.308 13 V C 0.402 176.562 176.094 0.110 0.000 1.048 13 V CA -0.715 61.674 62.300 0.148 0.000 0.928 13 V CB 2.030 33.961 31.823 0.179 0.000 1.004 13 V HN 0.682 nan 8.190 nan 0.000 0.444 14 T N 1.202 115.821 114.554 0.107 0.000 2.863 14 T HA 0.795 5.145 4.350 0.000 0.000 0.285 14 T C -0.934 173.817 174.700 0.086 0.000 1.009 14 T CA -0.529 61.620 62.100 0.082 0.000 0.989 14 T CB 1.746 70.654 68.868 0.067 0.000 1.004 14 T HN 0.229 nan 8.240 nan 0.000 0.455 15 I N 2.779 123.390 120.570 0.069 0.000 2.437 15 I HA 0.374 4.544 4.170 0.000 0.000 0.279 15 I C -0.191 175.958 176.117 0.052 0.000 1.028 15 I CA 0.182 61.520 61.300 0.064 0.000 1.142 15 I CB 0.805 38.838 38.000 0.055 0.000 1.266 15 I HN 0.752 nan 8.210 nan 0.000 0.461 16 D N 5.298 125.729 120.400 0.052 0.000 2.835 16 D HA -0.172 4.468 4.640 0.000 0.000 0.230 16 D C 1.247 177.570 176.300 0.039 0.000 1.130 16 D CA 1.557 55.583 54.000 0.042 0.000 0.738 16 D CB -0.995 39.827 40.800 0.037 0.000 1.090 16 D HN 1.046 nan 8.370 nan 0.000 0.433 17 G N -0.818 108.007 108.800 0.042 0.000 2.205 17 G HA2 -0.345 3.615 3.960 0.000 0.000 0.261 17 G HA3 -0.345 3.615 3.960 0.000 0.000 0.261 17 G C 0.164 175.086 174.900 0.037 0.000 0.980 17 G CA 0.280 45.403 45.100 0.038 0.000 0.632 17 G HN 0.434 nan 8.290 nan 0.000 0.533 18 N N 1.063 119.786 118.700 0.038 0.000 2.434 18 N HA 0.422 5.162 4.740 0.000 0.000 0.272 18 N C 0.734 176.268 175.510 0.041 0.000 1.040 18 N CA -0.344 52.727 53.050 0.035 0.000 0.956 18 N CB 1.103 39.609 38.487 0.032 0.000 1.108 18 N HN 0.296 nan 8.380 nan 0.000 0.481 19 L N 1.494 122.741 121.223 0.039 0.000 2.584 19 L HA 0.002 4.342 4.340 0.000 0.000 0.272 19 L C 1.338 178.234 176.870 0.044 0.000 1.195 19 L CA -0.047 54.820 54.840 0.045 0.000 0.920 19 L CB 0.131 42.214 42.059 0.040 0.000 1.173 19 L HN 0.588 nan 8.230 nan 0.000 0.489 20 A N 3.153 126.005 122.820 0.053 0.000 2.348 20 A HA 0.535 4.855 4.320 0.000 0.000 0.224 20 A C 0.972 178.583 177.584 0.045 0.000 1.227 20 A CA 0.453 52.519 52.037 0.047 0.000 0.885 20 A CB 0.080 19.112 19.000 0.054 0.000 0.933 20 A HN 1.011 nan 8.150 nan 0.000 0.506 21 G N -0.734 108.097 108.800 0.051 0.000 2.462 21 G HA2 0.076 4.036 3.960 0.000 0.000 0.685 21 G HA3 0.076 4.036 3.960 0.000 0.000 0.685 21 G C -0.486 174.457 174.900 0.071 0.000 1.295 21 G CA -0.346 44.781 45.100 0.046 0.000 0.941 21 G HN 0.788 nan 8.290 nan 0.000 0.554 22 R N -0.699 119.840 120.500 0.065 0.000 2.604 22 R HA 0.777 5.117 4.340 0.000 0.000 0.287 22 R C -0.438 175.916 176.300 0.089 0.000 0.970 22 R CA -0.994 55.169 56.100 0.105 0.000 0.946 22 R CB 0.911 31.265 30.300 0.089 0.000 1.127 22 R HN 0.537 nan 8.270 nan 0.000 0.473 23 I N 4.310 124.962 120.570 0.137 0.000 2.389 23 I HA 0.290 4.460 4.170 0.000 0.000 0.288 23 I C -0.761 175.441 176.117 0.142 0.000 0.999 23 I CA -1.088 60.275 61.300 0.105 0.000 1.129 23 I CB 2.028 40.105 38.000 0.128 0.000 1.288 23 I HN 0.316 nan 8.210 nan 0.000 0.444 24 V N 7.316 127.282 119.914 0.086 0.000 2.459 24 V HA 0.516 4.636 4.120 0.000 0.000 0.295 24 V C 0.061 176.186 176.094 0.051 0.000 1.029 24 V CA -0.408 61.953 62.300 0.103 0.000 0.874 24 V CB 1.737 33.595 31.823 0.059 0.000 0.985 24 V HN 0.675 nan 8.190 nan 0.000 0.438 25 M N 3.355 122.997 119.600 0.070 0.000 2.602 25 M HA 0.556 5.036 4.480 0.000 0.000 0.312 25 M C -0.532 175.754 176.300 -0.024 0.000 1.181 25 M CA -0.474 54.826 55.300 -0.001 0.000 0.910 25 M CB 2.621 35.221 32.600 0.001 0.000 1.723 25 M HN 0.588 nan 8.290 nan 0.000 0.459 26 E N 2.608 122.725 120.200 -0.138 0.000 2.145 26 E HA 0.486 4.836 4.350 0.000 0.000 0.270 26 E C -1.733 174.647 176.600 -0.367 0.000 0.906 26 E CA -0.450 55.837 56.400 -0.187 0.000 0.761 26 E CB 1.174 30.756 29.700 -0.198 0.000 1.116 26 E HN 0.610 nan 8.360 nan 0.000 0.408 27 L N 4.851 125.967 121.223 -0.178 0.000 2.275 27 L HA 0.266 4.606 4.340 0.000 0.000 0.288 27 L C -0.591 176.239 176.870 -0.067 0.000 1.046 27 L CA -0.912 53.864 54.840 -0.107 0.000 0.805 27 L CB 0.465 42.610 42.059 0.142 0.000 1.193 27 L HN 0.607 nan 8.230 nan 0.000 0.426 28 Y N 2.760 123.121 120.300 0.102 0.000 2.724 28 Y HA 0.064 4.614 4.550 0.000 0.000 0.354 28 Y C 1.271 177.226 175.900 0.092 0.000 1.270 28 Y CA -0.656 57.490 58.100 0.077 0.000 1.902 28 Y CB -1.101 37.388 38.460 0.048 0.000 1.981 28 Y HN 0.569 nan 8.280 nan 0.000 0.428 29 N N 0.831 119.658 118.700 0.212 0.000 2.094 29 N HA -0.214 4.526 4.740 0.000 0.000 0.191 29 N C 1.340 176.925 175.510 0.125 0.000 1.023 29 N CA 1.651 54.790 53.050 0.148 0.000 0.857 29 N CB -0.193 38.359 38.487 0.107 0.000 1.013 29 N HN 0.514 nan 8.380 nan 0.000 0.426 30 D N 0.064 120.538 120.400 0.124 0.000 2.411 30 D HA -0.138 4.502 4.640 0.000 0.000 0.226 30 D C 1.135 177.476 176.300 0.067 0.000 0.988 30 D CA 0.819 54.868 54.000 0.080 0.000 0.938 30 D CB -0.170 40.669 40.800 0.065 0.000 0.883 30 D HN 0.476 nan 8.370 nan 0.000 0.525 31 I N -1.293 119.337 120.570 0.099 0.000 4.774 31 I HA 0.247 4.417 4.170 0.000 0.000 0.330 31 I C 0.623 176.796 176.117 0.094 0.000 1.287 31 I CA 0.041 61.387 61.300 0.076 0.000 1.311 31 I CB 0.738 38.771 38.000 0.055 0.000 1.315 31 I HN 0.009 nan 8.210 nan 0.000 0.459 32 A N 2.065 124.966 122.820 0.135 0.000 3.453 32 A HA 0.413 4.733 4.320 0.000 0.000 0.262 32 A C -1.952 175.705 177.584 0.122 0.000 1.026 32 A CA -0.715 51.403 52.037 0.134 0.000 0.938 32 A CB -0.200 18.925 19.000 0.209 0.000 1.246 32 A HN -0.062 nan 8.150 nan 0.000 0.546 33 P HA -0.230 nan 4.420 nan 0.000 0.216 33 P C 1.441 178.779 177.300 0.065 0.000 1.150 33 P CA 1.145 64.287 63.100 0.071 0.000 0.843 33 P CB 0.354 32.083 31.700 0.048 0.000 0.787 34 R N -0.316 120.222 120.500 0.063 0.000 2.055 34 R HA -0.019 4.321 4.340 0.000 0.000 0.226 34 R C 2.482 178.834 176.300 0.087 0.000 1.135 34 R CA 2.116 58.256 56.100 0.067 0.000 0.959 34 R CB -1.196 29.107 30.300 0.005 0.000 0.854 34 R HN 0.047 nan 8.270 nan 0.000 0.431 35 T N -0.419 114.220 114.554 0.142 0.000 2.788 35 T HA -0.171 4.179 4.350 0.000 0.000 0.268 35 T C 1.943 176.525 174.700 -0.196 0.000 1.044 35 T CA 1.398 63.543 62.100 0.075 0.000 1.139 35 T CB -0.404 68.488 68.868 0.040 0.000 0.867 35 T HN 0.360 nan 8.240 nan 0.000 0.454 36 C N 1.431 120.695 119.300 -0.060 0.000 2.457 36 C HA 0.017 4.477 4.460 0.000 0.000 0.278 36 C C 2.797 177.812 174.990 0.041 0.000 1.309 36 C CA 0.412 59.449 59.018 0.033 0.000 1.735 36 C CB -1.262 26.566 27.740 0.147 0.000 1.992 36 C HN 0.638 nan 8.230 nan 0.000 0.493 37 N N 1.647 120.354 118.700 0.012 0.000 2.120 37 N HA -0.141 4.599 4.740 0.000 0.000 0.188 37 N C 1.438 176.871 175.510 -0.129 0.000 1.024 37 N CA 1.922 54.959 53.050 -0.022 0.000 0.852 37 N CB -0.450 38.051 38.487 0.024 0.000 1.003 37 N HN 0.526 nan 8.380 nan 0.000 0.424 38 N N -0.504 118.074 118.700 -0.203 0.000 2.058 38 N HA -0.159 4.581 4.740 0.000 0.000 0.191 38 N C 1.621 177.048 175.510 -0.138 0.000 1.037 38 N CA 1.383 54.226 53.050 -0.344 0.000 0.848 38 N CB -0.652 37.581 38.487 -0.424 0.000 1.021 38 N HN 0.340 nan 8.380 nan 0.000 0.422 39 F N 0.663 120.497 119.950 -0.194 0.000 2.095 39 F HA -0.087 4.440 4.527 0.000 0.000 0.298 39 F C 2.169 177.963 175.800 -0.010 0.000 1.104 39 F CA 1.101 59.064 58.000 -0.062 0.000 1.232 39 F CB -0.300 38.618 39.000 -0.136 0.000 0.987 39 F HN 0.168 nan 8.300 nan 0.000 0.475 40 L N -0.268 120.960 121.223 0.009 0.000 2.131 40 L HA -0.229 4.111 4.340 0.000 0.000 0.210 40 L C 2.010 178.784 176.870 -0.161 0.000 1.092 40 L CA 0.990 55.785 54.840 -0.074 0.000 0.759 40 L CB -0.226 41.843 42.059 0.017 0.000 0.903 40 L HN 0.199 nan 8.230 nan 0.000 0.435 41 M N -0.980 118.510 119.600 -0.183 0.000 2.447 41 M HA -0.044 4.436 4.480 0.000 0.000 0.264 41 M C 2.041 178.172 176.300 -0.282 0.000 1.095 41 M CA 1.161 56.327 55.300 -0.222 0.000 1.125 41 M CB -0.519 31.935 32.600 -0.243 0.000 1.389 41 M HN 0.303 nan 8.290 nan 0.000 0.459 42 L N -1.467 119.553 121.223 -0.337 0.000 2.395 42 L HA -0.129 4.211 4.340 0.000 0.000 0.218 42 L C 2.253 178.935 176.870 -0.313 0.000 1.130 42 L CA 0.277 54.827 54.840 -0.484 0.000 0.826 42 L CB -0.423 41.116 42.059 -0.866 0.000 0.941 42 L HN 0.312 nan 8.230 nan 0.000 0.451 43 C N -0.561 118.605 119.300 -0.224 0.000 2.522 43 C HA -0.092 4.368 4.460 0.000 0.000 0.280 43 C C 3.047 178.031 174.990 -0.010 0.000 1.303 43 C CA 1.318 60.265 59.018 -0.117 0.000 1.709 43 C CB -0.571 26.986 27.740 -0.304 0.000 2.071 43 C HN 0.631 nan 8.230 nan 0.000 0.492 44 T N -2.145 112.334 114.554 -0.125 0.000 2.896 44 T HA 0.215 4.565 4.350 0.000 0.000 0.263 44 T C 1.684 176.139 174.700 -0.408 0.000 1.050 44 T CA 1.811 63.821 62.100 -0.151 0.000 1.140 44 T CB -0.434 68.350 68.868 -0.141 0.000 0.877 44 T HN 0.974 nan 8.240 nan 0.000 0.457 45 G N 1.043 109.514 108.800 -0.549 0.000 2.176 45 G HA2 -0.250 3.710 3.960 0.000 0.000 0.253 45 G HA3 -0.250 3.710 3.960 0.000 0.000 0.253 45 G C 0.866 175.491 174.900 -0.459 0.000 0.979 45 G CA 0.367 44.973 45.100 -0.823 0.000 0.641 45 G HN 0.415 nan 8.290 nan 0.000 0.530 46 M N 0.514 119.923 119.600 -0.318 0.000 2.686 46 M HA 0.271 4.751 4.480 0.000 0.000 0.246 46 M C 2.431 178.616 176.300 -0.193 0.000 1.096 46 M CA 1.155 56.324 55.300 -0.219 0.000 1.076 46 M CB -0.855 31.648 32.600 -0.162 0.000 1.504 46 M HN 0.693 nan 8.290 nan 0.000 0.524 47 A N -0.170 122.516 122.820 -0.224 0.000 2.251 47 A HA 0.464 4.784 4.320 0.000 0.000 0.209 47 A C 1.518 178.997 177.584 -0.175 0.000 1.187 47 A CA 0.845 52.764 52.037 -0.196 0.000 0.823 47 A CB -0.440 18.419 19.000 -0.234 0.000 0.846 47 A HN 0.558 nan 8.150 nan 0.000 0.486 48 G N -1.197 107.490 108.800 -0.190 0.000 2.545 48 G HA2 -0.084 3.876 3.960 0.000 0.000 0.240 48 G HA3 -0.084 3.876 3.960 0.000 0.000 0.240 48 G C 0.274 175.075 174.900 -0.166 0.000 1.172 48 G CA 0.259 45.264 45.100 -0.158 0.000 0.949 48 G HN 1.254 nan 8.290 nan 0.000 0.574 49 T N 0.048 114.529 114.554 -0.121 0.000 2.918 49 T HA 0.665 5.015 4.350 0.000 0.000 0.286 49 T C 0.784 175.440 174.700 -0.072 0.000 1.026 49 T CA 1.003 63.040 62.100 -0.105 0.000 1.031 49 T CB 1.099 69.922 68.868 -0.075 0.000 1.046 49 T HN 1.979 nan 8.240 nan 0.000 0.479 50 G N 3.491 112.264 108.800 -0.045 0.000 2.361 50 G HA2 0.269 4.230 3.960 0.000 0.000 0.260 50 G HA3 0.269 4.230 3.960 0.000 0.000 0.260 50 G C 0.941 175.852 174.900 0.017 0.000 1.261 50 G CA -0.552 44.555 45.100 0.011 0.000 0.897 50 G HN 0.731 nan 8.290 nan 0.000 0.499 51 K N 2.589 123.001 120.400 0.021 0.000 1.991 51 K HA -0.121 4.199 4.320 0.000 0.000 0.212 51 K C 2.328 178.946 176.600 0.030 0.000 1.049 51 K CA 1.220 57.520 56.287 0.022 0.000 0.932 51 K CB -0.369 32.148 32.500 0.028 0.000 0.717 51 K HN 0.636 nan 8.250 nan 0.000 0.441 52 I N 1.309 121.905 120.570 0.044 0.000 2.235 52 I HA -0.218 3.952 4.170 0.000 0.000 0.241 52 I C 2.518 178.661 176.117 0.044 0.000 1.085 52 I CA 1.307 62.633 61.300 0.043 0.000 1.378 52 I CB -0.414 37.615 38.000 0.050 0.000 1.076 52 I HN 0.146 nan 8.210 nan 0.000 0.415 53 S N 0.789 116.526 115.700 0.062 0.000 2.402 53 S HA -0.030 4.440 4.470 0.000 0.000 0.229 53 S C 1.857 176.490 174.600 0.054 0.000 1.021 53 S CA 0.665 58.908 58.200 0.071 0.000 0.974 53 S CB -0.590 62.684 63.200 0.124 0.000 0.800 53 S HN 0.631 nan 8.310 nan 0.000 0.484 54 G N 1.142 109.966 108.800 0.040 0.000 2.179 54 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 54 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 54 G C -0.098 174.809 174.900 0.012 0.000 1.010 54 G CA 0.652 45.763 45.100 0.018 0.000 0.736 54 G HN 0.632 nan 8.290 nan 0.000 0.513 55 K N 0.317 120.730 120.400 0.023 0.000 2.295 55 K HA 0.546 4.866 4.320 0.000 0.000 0.239 55 K C -2.500 174.048 176.600 -0.086 0.000 0.991 55 K CA -2.219 54.068 56.287 -0.001 0.000 0.845 55 K CB 2.373 34.913 32.500 0.067 0.000 1.197 55 K HN -0.034 nan 8.250 nan 0.000 0.441 56 P HA 0.032 nan 4.420 nan 0.000 0.271 56 P C -0.417 176.591 177.300 -0.486 0.000 1.233 56 P CA 0.134 63.094 63.100 -0.233 0.000 0.764 56 P CB 0.317 31.919 31.700 -0.165 0.000 0.825 57 L N 4.710 125.659 121.223 -0.456 0.000 2.388 57 L HA 0.105 4.445 4.340 0.000 0.000 0.252 57 L C 0.978 177.460 176.870 -0.648 0.000 1.357 57 L CA 0.460 54.919 54.840 -0.635 0.000 1.214 57 L CB -1.352 40.516 42.059 -0.319 0.000 1.392 57 L HN 0.545 nan 8.230 nan 0.000 0.432 58 H N -0.968 117.493 119.070 -1.014 0.000 2.996 58 H HA 0.156 4.712 4.556 0.000 0.000 0.368 58 H C -0.313 174.721 175.328 -0.490 0.000 1.185 58 H CA -0.805 54.869 56.048 -0.624 0.000 1.160 58 H CB 1.770 31.307 29.762 -0.375 0.000 1.820 58 H HN 0.136 nan 8.280 nan 0.000 0.547 59 Y N 1.815 122.032 120.300 -0.137 0.000 2.397 59 Y HA -0.002 4.548 4.550 0.000 0.000 0.292 59 Y C 1.203 176.956 175.900 -0.245 0.000 1.115 59 Y CA 0.372 58.436 58.100 -0.060 0.000 1.208 59 Y CB 0.065 38.496 38.460 -0.048 0.000 1.046 59 Y HN 0.398 nan 8.280 nan 0.000 0.552 60 K N 0.604 120.721 120.400 -0.472 0.000 2.405 60 K HA 0.090 4.410 4.320 0.000 0.000 0.273 60 K C 1.045 177.530 176.600 -0.193 0.000 1.116 60 K CA 1.247 57.279 56.287 -0.425 0.000 1.155 60 K CB -0.507 31.551 32.500 -0.737 0.000 0.858 60 K HN 0.567 nan 8.250 nan 0.000 0.477 61 G N 2.257 111.007 108.800 -0.084 0.000 2.232 61 G HA2 -0.307 3.653 3.960 0.000 0.000 0.226 61 G HA3 -0.307 3.653 3.960 0.000 0.000 0.226 61 G C 0.102 175.010 174.900 0.014 0.000 0.996 61 G CA 0.188 45.272 45.100 -0.027 0.000 0.626 61 G HN 0.878 nan 8.290 nan 0.000 0.509 62 S N 0.148 115.872 115.700 0.039 0.000 2.617 62 S HA 0.749 5.219 4.470 0.000 0.000 0.259 62 S C 0.469 175.063 174.600 -0.011 0.000 1.301 62 S CA 1.032 59.276 58.200 0.074 0.000 0.984 62 S CB 1.662 64.983 63.200 0.202 0.000 0.954 62 S HN 1.800 nan 8.310 nan 0.000 0.572 63 T N -2.671 111.862 114.554 -0.036 0.000 2.742 63 T HA 0.681 5.031 4.350 0.000 0.000 0.282 63 T C -1.211 173.376 174.700 -0.188 0.000 1.025 63 T CA -0.818 61.247 62.100 -0.058 0.000 1.020 63 T CB 0.573 69.476 68.868 0.058 0.000 1.317 63 T HN 0.431 nan 8.240 nan 0.000 0.538 64 F N 2.345 122.322 119.950 0.046 0.000 2.307 64 F HA 0.339 4.866 4.527 0.000 0.000 0.369 64 F C 1.720 177.498 175.800 -0.037 0.000 1.076 64 F CA -0.967 57.007 58.000 -0.042 0.000 1.149 64 F CB 0.702 39.663 39.000 -0.064 0.000 1.410 64 F HN 0.771 nan 8.300 nan 0.000 0.481 65 H N 1.413 120.526 119.070 0.072 0.000 2.529 65 H HA 0.147 4.703 4.556 0.000 0.000 0.277 65 H C 0.371 175.722 175.328 0.037 0.000 0.999 65 H CA 0.252 56.326 56.048 0.043 0.000 1.256 65 H CB 0.397 30.164 29.762 0.008 0.000 1.402 65 H HN 0.442 nan 8.280 nan 0.000 0.566 66 R N 1.202 121.441 120.500 -0.435 0.000 2.538 66 R HA 0.448 4.788 4.340 0.000 0.000 0.292 66 R C -1.700 174.484 176.300 -0.195 0.000 1.008 66 R CA -0.635 55.306 56.100 -0.266 0.000 0.896 66 R CB 2.180 32.287 30.300 -0.322 0.000 1.187 66 R HN 0.109 nan 8.270 nan 0.000 0.440 67 V N 2.191 122.031 119.914 -0.124 0.000 2.760 67 V HA 0.686 4.806 4.120 0.000 0.000 0.309 67 V C -0.743 175.288 176.094 -0.106 0.000 1.077 67 V CA -0.774 61.444 62.300 -0.137 0.000 0.910 67 V CB 1.985 33.722 31.823 -0.143 0.000 1.008 67 V HN 0.734 nan 8.190 nan 0.000 0.424 68 I N 4.683 125.195 120.570 -0.097 0.000 2.468 68 I HA 0.423 4.593 4.170 0.000 0.000 0.285 68 I C 0.157 176.210 176.117 -0.108 0.000 1.039 68 I CA -0.821 60.455 61.300 -0.040 0.000 1.074 68 I CB 2.171 40.246 38.000 0.126 0.000 1.228 68 I HN 0.840 nan 8.210 nan 0.000 0.436 69 K N 5.467 125.744 120.400 -0.205 0.000 2.436 69 K HA 0.209 4.529 4.320 0.000 0.000 0.275 69 K C 0.026 176.536 176.600 -0.149 0.000 0.999 69 K CA -0.279 55.775 56.287 -0.388 0.000 0.980 69 K CB 0.209 32.476 32.500 -0.388 0.000 0.919 69 K HN 0.631 nan 8.250 nan 0.000 0.484 70 N N 0.073 118.694 118.700 -0.131 0.000 2.782 70 N HA -0.217 4.523 4.740 0.000 0.000 0.251 70 N C -0.756 174.817 175.510 0.104 0.000 1.101 70 N CA 1.560 54.633 53.050 0.038 0.000 0.764 70 N CB -1.255 37.270 38.487 0.063 0.000 1.122 70 N HN 0.732 nan 8.380 nan 0.000 0.561 71 F N -0.310 119.552 119.950 -0.146 0.000 1.855 71 F HA 0.546 5.073 4.527 0.000 0.000 0.228 71 F C -0.075 175.650 175.800 -0.124 0.000 1.236 71 F CA 1.081 59.009 58.000 -0.121 0.000 1.308 71 F CB -0.039 38.886 39.000 -0.125 0.000 1.877 71 F HN -0.022 nan 8.300 nan 0.000 0.272 72 M N 1.322 120.663 119.600 -0.432 0.000 3.147 72 M HA 0.509 4.989 4.480 0.000 0.000 0.276 72 M C -1.928 174.181 176.300 -0.318 0.000 1.211 72 M CA -0.946 54.062 55.300 -0.486 0.000 0.820 72 M CB 1.895 34.026 32.600 -0.781 0.000 1.621 72 M HN 0.272 nan 8.290 nan 0.000 0.507 73 I N -1.199 119.226 120.570 -0.242 0.000 2.582 73 I HA 0.803 4.973 4.170 0.000 0.000 0.292 73 I C -1.433 174.619 176.117 -0.108 0.000 1.066 73 I CA -0.531 60.633 61.300 -0.226 0.000 1.053 73 I CB 2.171 39.949 38.000 -0.369 0.000 1.241 73 I HN 0.969 nan 8.210 nan 0.000 0.421 74 Q N 4.168 123.908 119.800 -0.099 0.000 2.377 74 Q HA 0.829 5.169 4.340 0.000 0.000 0.271 74 Q C -0.907 175.006 176.000 -0.144 0.000 1.077 74 Q CA -0.623 55.105 55.803 -0.125 0.000 0.820 74 Q CB 2.527 31.114 28.738 -0.251 0.000 1.347 74 Q HN 1.111 nan 8.270 nan 0.000 0.444 75 G N -0.353 108.226 108.800 -0.368 0.000 2.570 75 G HA2 0.512 4.472 3.960 0.000 0.000 0.310 75 G HA3 0.512 4.472 3.960 0.000 0.000 0.310 75 G C 0.046 174.648 174.900 -0.498 0.000 1.266 75 G CA 0.027 44.860 45.100 -0.445 0.000 0.825 75 G HN 1.216 nan 8.290 nan 0.000 0.483 76 G N -0.672 107.960 108.800 -0.280 0.000 2.157 76 G HA2 -0.172 3.788 3.960 0.000 0.000 0.239 76 G HA3 -0.172 3.788 3.960 0.000 0.000 0.239 76 G C 0.121 175.106 174.900 0.142 0.000 0.982 76 G CA 0.839 46.058 45.100 0.199 0.000 0.650 76 G HN 1.082 nan 8.290 nan 0.000 0.527 77 D N 0.889 121.281 120.400 -0.013 0.000 2.483 77 D HA 0.426 5.066 4.640 0.000 0.000 0.220 77 D C 1.376 177.629 176.300 -0.077 0.000 1.173 77 D CA -0.949 52.952 54.000 -0.165 0.000 0.964 77 D CB -0.705 39.942 40.800 -0.255 0.000 1.046 77 D HN 0.322 nan 8.370 nan 0.000 0.517 78 F N 1.229 121.221 119.950 0.071 0.000 2.732 78 F HA 0.200 4.727 4.527 0.000 0.000 0.303 78 F C 1.629 177.436 175.800 0.011 0.000 1.110 78 F CA 0.119 58.143 58.000 0.040 0.000 1.355 78 F CB -0.742 38.287 39.000 0.047 0.000 1.081 78 F HN 0.205 nan 8.300 nan 0.000 0.565 79 T N -3.205 111.422 114.554 0.121 0.000 3.056 79 T HA 0.194 4.544 4.350 0.000 0.000 0.241 79 T C 1.524 176.249 174.700 0.040 0.000 1.006 79 T CA 0.053 62.229 62.100 0.126 0.000 1.115 79 T CB 0.061 68.975 68.868 0.076 0.000 0.939 79 T HN 0.057 nan 8.240 nan 0.000 0.462 80 K N 0.742 121.129 120.400 -0.023 0.000 2.391 80 K HA 0.377 4.697 4.320 0.000 0.000 0.197 80 K C 1.613 178.176 176.600 -0.062 0.000 1.087 80 K CA 0.688 56.951 56.287 -0.039 0.000 1.012 80 K CB 0.170 32.633 32.500 -0.062 0.000 0.925 80 K HN 0.538 nan 8.250 nan 0.000 0.547 81 G N 3.826 112.574 108.800 -0.087 0.000 2.258 81 G HA2 -0.271 3.689 3.960 0.000 0.000 0.274 81 G HA3 -0.271 3.689 3.960 0.000 0.000 0.274 81 G C 0.144 174.940 174.900 -0.173 0.000 1.021 81 G CA 1.221 46.262 45.100 -0.098 0.000 0.798 81 G HN 0.484 nan 8.290 nan 0.000 0.507 82 D N -2.669 117.558 120.400 -0.289 0.000 2.516 82 D HA 0.367 5.007 4.640 0.000 0.000 0.241 82 D C 1.511 177.533 176.300 -0.463 0.000 1.246 82 D CA 0.801 54.632 54.000 -0.282 0.000 0.808 82 D CB -0.398 40.339 40.800 -0.106 0.000 1.147 82 D HN 1.433 nan 8.370 nan 0.000 0.527 83 G N 0.484 108.857 108.800 -0.711 0.000 2.195 83 G HA2 -0.318 3.642 3.960 0.000 0.000 0.224 83 G HA3 -0.318 3.642 3.960 0.000 0.000 0.224 83 G C 1.132 175.951 174.900 -0.134 0.000 0.990 83 G CA 0.803 45.641 45.100 -0.437 0.000 0.639 83 G HN 0.647 nan 8.290 nan 0.000 0.514 84 T N -1.708 112.769 114.554 -0.130 0.000 3.037 84 T HA 0.536 4.886 4.350 0.000 0.000 0.251 84 T C 1.586 176.249 174.700 -0.061 0.000 1.079 84 T CA 1.386 63.449 62.100 -0.062 0.000 1.067 84 T CB 0.682 69.523 68.868 -0.044 0.000 0.948 84 T HN 1.273 nan 8.240 nan 0.000 0.496 85 G N 0.108 108.848 108.800 -0.099 0.000 2.849 85 G HA2 0.627 4.587 3.960 0.000 0.000 0.174 85 G HA3 0.627 4.587 3.960 0.000 0.000 0.174 85 G C 0.286 175.099 174.900 -0.144 0.000 1.370 85 G CA -0.426 44.617 45.100 -0.095 0.000 1.040 85 G HN 1.186 nan 8.290 nan 0.000 0.582 86 G N -1.712 106.949 108.800 -0.232 0.000 2.570 86 G HA2 0.354 4.314 3.960 0.000 0.000 0.686 86 G HA3 0.354 4.314 3.960 0.000 0.000 0.686 86 G C -0.830 173.919 174.900 -0.252 0.000 1.257 86 G CA 0.253 45.081 45.100 -0.454 0.000 0.846 86 G HN 0.888 nan 8.290 nan 0.000 0.627 87 E N -1.003 119.038 120.200 -0.265 0.000 2.388 87 E HA 0.631 4.981 4.350 0.000 0.000 0.280 87 E C 0.171 176.872 176.600 0.168 0.000 1.019 87 E CA -0.181 56.255 56.400 0.059 0.000 0.806 87 E CB 1.607 31.405 29.700 0.164 0.000 1.246 87 E HN 1.287 nan 8.360 nan 0.000 0.443 88 S N 2.198 118.008 115.700 0.185 0.000 2.687 88 S HA 0.325 4.795 4.470 0.000 0.000 0.283 88 S C 1.494 176.057 174.600 -0.061 0.000 1.170 88 S CA -0.531 57.739 58.200 0.117 0.000 1.008 88 S CB 0.672 64.053 63.200 0.301 0.000 1.026 88 S HN 0.659 nan 8.310 nan 0.000 0.541 89 I N -2.162 118.201 120.570 -0.345 0.000 2.916 89 I HA 0.018 4.188 4.170 0.000 0.000 0.267 89 I C 0.720 176.628 176.117 -0.350 0.000 1.263 89 I CA 0.771 61.834 61.300 -0.395 0.000 1.471 89 I CB -0.619 37.051 38.000 -0.550 0.000 1.089 89 I HN 0.656 nan 8.210 nan 0.000 0.468 90 Y N 2.931 123.168 120.300 -0.105 0.000 2.470 90 Y HA 0.475 5.025 4.550 0.000 0.000 0.302 90 Y C 1.372 177.270 175.900 -0.003 0.000 1.194 90 Y CA -0.028 58.026 58.100 -0.076 0.000 1.271 90 Y CB -0.431 37.959 38.460 -0.117 0.000 1.092 90 Y HN 0.338 nan 8.280 nan 0.000 0.513 91 G N 0.506 109.369 108.800 0.104 0.000 3.277 91 G HA2 0.133 4.093 3.960 0.000 0.000 0.684 91 G HA3 0.133 4.093 3.960 0.000 0.000 0.684 91 G C 0.552 175.534 174.900 0.136 0.000 0.923 91 G CA -0.320 44.838 45.100 0.098 0.000 0.779 91 G HN 1.045 nan 8.290 nan 0.000 0.508 92 G N 2.285 111.156 108.800 0.119 0.000 2.596 92 G HA2 -0.042 3.918 3.960 0.000 0.000 0.295 92 G HA3 -0.042 3.918 3.960 0.000 0.000 0.295 92 G C 0.590 175.601 174.900 0.186 0.000 1.240 92 G CA 1.329 46.503 45.100 0.124 0.000 0.985 92 G HN 1.668 nan 8.290 nan 0.000 0.555 93 M N 0.332 120.043 119.600 0.185 0.000 2.706 93 M HA 0.747 5.227 4.480 0.000 0.000 0.304 93 M C -0.064 176.440 176.300 0.339 0.000 1.217 93 M CA -0.613 54.830 55.300 0.238 0.000 0.922 93 M CB 1.910 34.567 32.600 0.095 0.000 1.637 93 M HN 0.688 nan 8.290 nan 0.000 0.492 94 F N -2.261 117.753 119.950 0.107 0.000 2.631 94 F HA 0.701 5.228 4.527 0.000 0.000 0.328 94 F C -0.747 175.068 175.800 0.024 0.000 1.067 94 F CA -1.505 56.529 58.000 0.057 0.000 0.969 94 F CB 0.323 39.370 39.000 0.079 0.000 1.332 94 F HN 0.343 nan 8.300 nan 0.000 0.490 95 D N 0.520 120.947 120.400 0.045 0.000 2.358 95 D HA 0.135 4.775 4.640 0.000 0.000 0.244 95 D C -0.746 175.455 176.300 -0.165 0.000 1.163 95 D CA 0.070 54.025 54.000 -0.076 0.000 0.945 95 D CB 0.532 41.316 40.800 -0.027 0.000 1.152 95 D HN 0.439 nan 8.370 nan 0.000 0.451 96 D N 1.168 121.464 120.400 -0.172 0.000 2.312 96 D HA 0.086 4.726 4.640 0.000 0.000 0.252 96 D C 0.670 176.802 176.300 -0.279 0.000 1.150 96 D CA 0.065 53.918 54.000 -0.244 0.000 0.870 96 D CB 1.064 41.699 40.800 -0.275 0.000 1.153 96 D HN 0.256 nan 8.370 nan 0.000 0.457 97 E N 0.738 120.800 120.200 -0.230 0.000 3.136 97 E HA 0.044 4.395 4.350 0.000 0.000 0.271 97 E C 0.331 176.705 176.600 -0.376 0.000 1.454 97 E CA -0.491 55.796 56.400 -0.188 0.000 1.194 97 E CB 0.707 30.372 29.700 -0.059 0.000 1.175 97 E HN 0.390 nan 8.360 nan 0.000 0.726 98 E N 0.474 120.534 120.200 -0.233 0.000 2.384 98 E HA -0.034 4.316 4.350 0.000 0.000 0.266 98 E C -0.768 175.696 176.600 -0.226 0.000 1.012 98 E CA -0.271 55.994 56.400 -0.226 0.000 0.901 98 E CB 0.314 29.970 29.700 -0.073 0.000 0.967 98 E HN 0.233 nan 8.360 nan 0.000 0.435 99 F N 4.906 124.880 119.950 0.039 0.000 2.668 99 F HA 0.017 4.544 4.527 0.000 0.000 0.365 99 F C 1.164 176.981 175.800 0.028 0.000 1.165 99 F CA -0.198 57.828 58.000 0.043 0.000 1.344 99 F CB -0.379 38.650 39.000 0.048 0.000 1.658 99 F HN 0.341 nan 8.300 nan 0.000 0.620 100 V N -0.345 119.644 119.914 0.125 0.000 2.244 100 V HA -0.218 3.902 4.120 0.000 0.000 0.244 100 V C 1.722 177.850 176.094 0.057 0.000 1.042 100 V CA 1.122 63.466 62.300 0.074 0.000 1.006 100 V CB -0.288 31.554 31.823 0.032 0.000 0.641 100 V HN 0.308 nan 8.190 nan 0.000 0.446 101 M N 1.005 120.635 119.600 0.050 0.000 2.228 101 M HA 0.237 4.717 4.480 0.000 0.000 0.351 101 M C -0.082 176.200 176.300 -0.030 0.000 1.233 101 M CA 0.811 56.111 55.300 -0.001 0.000 1.129 101 M CB 0.354 32.961 32.600 0.012 0.000 1.604 101 M HN 0.270 nan 8.290 nan 0.000 0.457 102 K N 1.384 121.749 120.400 -0.058 0.000 2.258 102 K HA 0.391 4.711 4.320 0.000 0.000 0.236 102 K C -0.705 175.806 176.600 -0.148 0.000 1.008 102 K CA -0.797 55.453 56.287 -0.062 0.000 0.869 102 K CB 1.033 33.549 32.500 0.027 0.000 1.171 102 K HN 0.553 nan 8.250 nan 0.000 0.447 103 H N 1.067 120.158 119.070 0.035 0.000 2.588 103 H HA 0.042 4.598 4.556 0.000 0.000 0.223 103 H C -0.365 174.980 175.328 0.029 0.000 1.804 103 H CA -0.276 55.787 56.048 0.025 0.000 1.269 103 H CB -0.154 29.631 29.762 0.037 0.000 1.670 103 H HN 0.536 nan 8.280 nan 0.000 0.539 104 D N -0.279 120.176 120.400 0.092 0.000 2.360 104 D HA -0.047 4.593 4.640 0.000 0.000 0.210 104 D C 0.431 176.767 176.300 0.059 0.000 1.047 104 D CA -0.003 54.040 54.000 0.072 0.000 0.854 104 D CB 0.442 41.271 40.800 0.048 0.000 0.936 104 D HN 0.725 nan 8.370 nan 0.000 0.514 105 E N -0.053 120.180 120.200 0.054 0.000 2.383 105 E HA 0.413 4.763 4.350 0.000 0.000 0.275 105 E C -3.094 173.519 176.600 0.021 0.000 0.918 105 E CA -2.190 54.237 56.400 0.045 0.000 0.764 105 E CB 2.379 32.114 29.700 0.059 0.000 1.252 105 E HN -0.216 nan 8.360 nan 0.000 0.449 106 P HA 0.004 nan 4.420 nan 0.000 0.271 106 P C -0.264 176.976 177.300 -0.100 0.000 1.233 106 P CA 0.025 63.004 63.100 -0.201 0.000 0.789 106 P CB 0.030 31.521 31.700 -0.348 0.000 0.951 107 F N -3.265 116.680 119.950 -0.009 0.000 3.058 107 F HA -0.188 4.339 4.527 0.000 0.000 0.295 107 F C 0.649 176.402 175.800 -0.080 0.000 0.875 107 F CA 0.450 58.427 58.000 -0.039 0.000 1.150 107 F CB -2.567 36.418 39.000 -0.025 0.000 1.175 107 F HN 0.165 nan 8.300 nan 0.000 0.599 108 V N -2.168 117.744 119.914 -0.004 0.000 2.713 108 V HA 0.875 4.995 4.120 0.000 0.000 0.307 108 V C 0.213 176.146 176.094 -0.269 0.000 1.052 108 V CA -1.094 61.135 62.300 -0.118 0.000 0.967 108 V CB 2.046 33.797 31.823 -0.121 0.000 1.019 108 V HN 0.026 nan 8.190 nan 0.000 0.459 109 V N 3.494 123.119 119.914 -0.481 0.000 2.394 109 V HA 0.681 4.801 4.120 0.000 0.000 0.282 109 V C 0.323 175.811 176.094 -1.011 0.000 1.031 109 V CA 0.211 62.069 62.300 -0.736 0.000 0.881 109 V CB 0.845 32.062 31.823 -1.009 0.000 0.982 109 V HN 1.157 nan 8.190 nan 0.000 0.451 110 S N 4.951 120.132 115.700 -0.864 0.000 2.595 110 S HA 0.719 5.189 4.470 0.000 0.000 0.281 110 S C -0.704 173.776 174.600 -0.200 0.000 1.117 110 S CA -0.842 56.986 58.200 -0.619 0.000 0.873 110 S CB 1.614 64.383 63.200 -0.719 0.000 1.108 110 S HN 0.533 nan 8.310 nan 0.000 0.477 111 M N 3.071 122.858 119.600 0.312 0.000 2.185 111 M HA 0.433 4.913 4.480 0.000 0.000 0.357 111 M C 0.395 177.054 176.300 0.599 0.000 1.260 111 M CA -0.333 55.245 55.300 0.464 0.000 1.124 111 M CB 0.420 33.246 32.600 0.377 0.000 1.600 111 M HN 0.778 nan 8.290 nan 0.000 0.467 112 A N 4.419 127.571 122.820 0.553 0.000 2.293 112 A HA 0.736 5.056 4.320 0.000 0.000 0.302 112 A C 0.027 177.842 177.584 0.386 0.000 1.119 112 A CA -0.433 51.906 52.037 0.503 0.000 0.823 112 A CB 0.494 19.698 19.000 0.339 0.000 1.097 112 A HN 0.973 nan 8.150 nan 0.000 0.491 113 N N -0.830 118.086 118.700 0.360 0.000 3.364 113 N HA 0.445 5.185 4.740 0.000 0.000 0.294 113 N C -1.210 174.383 175.510 0.139 0.000 1.562 113 N CA -0.601 52.566 53.050 0.195 0.000 0.862 113 N CB 0.787 39.352 38.487 0.129 0.000 1.691 113 N HN 0.475 nan 8.380 nan 0.000 0.572 114 K N -1.178 119.265 120.400 0.073 0.000 3.309 114 K HA 0.625 4.945 4.320 0.000 0.000 0.187 114 K C -0.040 176.574 176.600 0.023 0.000 1.085 114 K CA -0.381 55.935 56.287 0.049 0.000 0.867 114 K CB 0.058 32.583 32.500 0.041 0.000 0.846 114 K HN 1.021 nan 8.250 nan 0.000 0.522 115 G N 1.410 110.214 108.800 0.007 0.000 2.462 115 G HA2 -0.117 3.843 3.960 0.000 0.000 0.685 115 G HA3 -0.117 3.843 3.960 0.000 0.000 0.685 115 G C -2.970 171.927 174.900 -0.005 0.000 1.295 115 G CA -1.260 43.836 45.100 -0.007 0.000 0.941 115 G HN 0.113 nan 8.290 nan 0.000 0.554 116 P HA 0.115 nan 4.420 nan 0.000 0.264 116 P C 0.405 177.709 177.300 0.006 0.000 1.179 116 P CA 0.655 63.770 63.100 0.025 0.000 0.763 116 P CB 0.155 31.872 31.700 0.029 0.000 0.806 117 N N -0.076 118.621 118.700 -0.006 0.000 2.701 117 N HA -0.171 4.569 4.740 0.000 0.000 0.252 117 N C 0.020 175.488 175.510 -0.070 0.000 1.002 117 N CA 1.599 54.616 53.050 -0.055 0.000 0.758 117 N CB -1.662 36.806 38.487 -0.032 0.000 0.937 117 N HN 0.549 nan 8.380 nan 0.000 0.538 118 T N -3.888 110.625 114.554 -0.068 0.000 3.293 118 T HA 0.132 4.483 4.350 0.000 0.000 0.276 118 T C 0.227 174.881 174.700 -0.078 0.000 1.003 118 T CA -0.660 61.412 62.100 -0.047 0.000 0.916 118 T CB 0.205 69.072 68.868 -0.002 0.000 1.134 118 T HN 0.041 nan 8.240 nan 0.000 0.530 119 N N 1.799 120.351 118.700 -0.246 0.000 2.438 119 N HA 0.281 5.021 4.740 0.000 0.000 0.267 119 N C 0.892 176.306 175.510 -0.159 0.000 1.222 119 N CA 0.272 53.122 53.050 -0.333 0.000 0.930 119 N CB 1.666 39.621 38.487 -0.886 0.000 1.083 119 N HN 0.562 nan 8.380 nan 0.000 0.476 120 G N 0.952 109.803 108.800 0.085 0.000 2.583 120 G HA2 0.010 3.970 3.960 0.000 0.000 0.214 120 G HA3 0.010 3.970 3.960 0.000 0.000 0.214 120 G C 0.745 175.807 174.900 0.271 0.000 2.072 120 G CA 0.184 45.398 45.100 0.190 0.000 0.745 120 G HN 0.549 nan 8.290 nan 0.000 0.762 121 S N -1.177 114.625 115.700 0.170 0.000 2.744 121 S HA 0.292 4.762 4.470 0.000 0.000 0.265 121 S C 0.378 175.265 174.600 0.478 0.000 1.065 121 S CA -0.195 58.163 58.200 0.263 0.000 1.191 121 S CB 0.277 63.420 63.200 -0.094 0.000 1.150 121 S HN 0.350 nan 8.310 nan 0.000 0.646 122 Q N 1.368 121.354 119.800 0.309 0.000 2.288 122 Q HA 0.584 4.924 4.340 0.000 0.000 0.254 122 Q C -0.781 175.482 176.000 0.438 0.000 0.932 122 Q CA -0.411 55.571 55.803 0.298 0.000 0.902 122 Q CB 0.809 29.645 28.738 0.162 0.000 1.203 122 Q HN 0.640 nan 8.270 nan 0.000 0.415 123 F N 0.279 120.413 119.950 0.306 0.000 2.706 123 F HA 0.836 5.363 4.527 0.000 0.000 0.328 123 F C -1.154 174.827 175.800 0.301 0.000 1.123 123 F CA -1.836 56.335 58.000 0.284 0.000 0.978 123 F CB 1.089 40.242 39.000 0.255 0.000 1.404 123 F HN 0.420 nan 8.300 nan 0.000 0.497 124 F N -0.495 119.540 119.950 0.142 0.000 2.628 124 F HA 0.767 5.294 4.527 0.000 0.000 0.309 124 F C -2.051 173.770 175.800 0.035 0.000 1.108 124 F CA -1.674 56.298 58.000 -0.046 0.000 0.971 124 F CB 1.198 40.087 39.000 -0.186 0.000 1.279 124 F HN 0.488 nan 8.300 nan 0.000 0.441 125 I N 3.215 123.870 120.570 0.140 0.000 2.321 125 I HA 0.367 4.537 4.170 0.000 0.000 0.291 125 I C 0.331 176.440 176.117 -0.013 0.000 0.998 125 I CA -0.715 60.603 61.300 0.030 0.000 1.227 125 I CB 2.088 40.149 38.000 0.101 0.000 1.368 125 I HN 0.881 nan 8.210 nan 0.000 0.466 126 T N 0.831 115.351 114.554 -0.057 0.000 2.849 126 T HA 0.303 4.653 4.350 0.000 0.000 0.284 126 T C 0.720 175.224 174.700 -0.326 0.000 1.004 126 T CA -0.273 61.736 62.100 -0.152 0.000 1.021 126 T CB 1.418 70.250 68.868 -0.060 0.000 1.013 126 T HN 0.739 nan 8.240 nan 0.000 0.527 127 T N -2.416 111.903 114.554 -0.390 0.000 3.170 127 T HA 0.413 4.763 4.350 0.000 0.000 0.288 127 T C 0.294 174.749 174.700 -0.408 0.000 0.992 127 T CA -0.110 61.592 62.100 -0.665 0.000 0.909 127 T CB -0.033 68.581 68.868 -0.423 0.000 1.133 127 T HN 0.955 nan 8.240 nan 0.000 0.530 128 T N 1.321 115.744 114.554 -0.219 0.000 2.775 128 T HA 0.485 4.836 4.350 0.000 0.000 0.320 128 T C -3.285 171.422 174.700 0.010 0.000 1.597 128 T CA -1.060 60.996 62.100 -0.073 0.000 1.022 128 T CB 1.406 70.279 68.868 0.009 0.000 1.485 128 T HN -0.207 nan 8.240 nan 0.000 0.494 129 P HA 0.424 nan 4.420 nan 0.000 0.265 129 P C -1.271 176.118 177.300 0.149 0.000 1.193 129 P CA -0.021 63.132 63.100 0.089 0.000 0.765 129 P CB 0.551 32.295 31.700 0.074 0.000 0.823 130 A N 5.436 128.355 122.820 0.166 0.000 3.355 130 A HA 0.327 4.647 4.320 0.000 0.000 0.290 130 A C -1.525 176.071 177.584 0.020 0.000 0.973 130 A CA -0.887 51.245 52.037 0.158 0.000 0.933 130 A CB 0.260 19.311 19.000 0.085 0.000 1.138 130 A HN 0.338 nan 8.150 nan 0.000 0.490 131 P HA -0.251 nan 4.420 nan 0.000 0.219 131 P C 1.103 178.426 177.300 0.038 0.000 1.146 131 P CA 1.593 64.749 63.100 0.094 0.000 0.808 131 P CB -0.318 31.444 31.700 0.103 0.000 0.779 132 H N -0.472 118.604 119.070 0.011 0.000 2.543 132 H HA 0.042 4.598 4.556 0.000 0.000 0.286 132 H C 1.583 176.907 175.328 -0.005 0.000 1.037 132 H CA 0.522 56.564 56.048 -0.010 0.000 1.250 132 H CB -1.110 28.629 29.762 -0.038 0.000 1.373 132 H HN 0.214 nan 8.280 nan 0.000 0.580 133 L N 0.468 121.353 121.223 -0.564 0.000 2.607 133 L HA 0.093 4.433 4.340 0.000 0.000 0.228 133 L C 0.310 177.152 176.870 -0.047 0.000 1.123 133 L CA -0.262 54.349 54.840 -0.381 0.000 0.890 133 L CB -0.119 41.469 42.059 -0.785 0.000 1.103 133 L HN 0.033 nan 8.230 nan 0.000 0.468 134 N N 1.775 120.494 118.700 0.032 0.000 2.454 134 N HA -0.023 4.717 4.740 0.000 0.000 0.254 134 N C 0.403 175.830 175.510 -0.138 0.000 1.228 134 N CA 0.405 53.513 53.050 0.097 0.000 0.900 134 N CB 0.393 38.930 38.487 0.083 0.000 1.089 134 N HN 0.144 nan 8.380 nan 0.000 0.449 135 N N 0.156 118.647 118.700 -0.349 0.000 2.878 135 N HA -0.195 4.545 4.740 0.000 0.000 0.247 135 N C 0.691 175.321 175.510 -1.468 0.000 1.021 135 N CA 1.239 53.708 53.050 -0.968 0.000 0.873 135 N CB -1.296 36.953 38.487 -0.398 0.000 1.128 135 N HN 0.744 nan 8.380 nan 0.000 0.571 136 I N -5.372 114.635 120.570 -0.938 0.000 4.530 136 I HA 0.198 4.368 4.170 0.000 0.000 0.318 136 I C 0.018 175.914 176.117 -0.368 0.000 1.257 136 I CA 0.118 61.048 61.300 -0.616 0.000 1.301 136 I CB 0.440 38.212 38.000 -0.380 0.000 1.297 136 I HN -0.095 nan 8.210 nan 0.000 0.451 137 H N 2.683 121.834 119.070 0.134 0.000 2.529 137 H HA 0.497 5.053 4.556 0.000 0.000 0.348 137 H C -0.751 174.895 175.328 0.530 0.000 1.079 137 H CA -0.667 55.632 56.048 0.418 0.000 1.198 137 H CB 3.015 33.080 29.762 0.505 0.000 1.521 137 H HN -0.102 nan 8.280 nan 0.000 0.514 138 V N 4.393 124.667 119.914 0.600 0.000 2.470 138 V HA -0.003 4.117 4.120 0.000 0.000 0.276 138 V C 0.522 176.805 176.094 0.315 0.000 1.040 138 V CA -0.338 62.222 62.300 0.433 0.000 1.008 138 V CB 0.804 32.781 31.823 0.257 0.000 0.990 138 V HN 0.417 nan 8.190 nan 0.000 0.477 139 V N 7.204 127.201 119.914 0.139 0.000 2.406 139 V HA 0.293 4.413 4.120 0.000 0.000 0.272 139 V C 0.405 176.544 176.094 0.075 0.000 1.043 139 V CA -0.071 62.177 62.300 -0.087 0.000 0.915 139 V CB 0.711 32.361 31.823 -0.288 0.000 0.988 139 V HN 0.915 nan 8.190 nan 0.000 0.466 140 F N 1.933 121.855 119.950 -0.046 0.000 2.798 140 F HA 0.834 5.361 4.527 0.000 0.000 0.328 140 F C 0.570 176.319 175.800 -0.085 0.000 1.098 140 F CA -0.143 57.859 58.000 0.004 0.000 1.172 140 F CB 0.328 39.320 39.000 -0.015 0.000 1.072 140 F HN 0.530 nan 8.300 nan 0.000 0.555 141 G N 0.548 108.958 108.800 -0.650 0.000 2.608 141 G HA2 0.510 4.470 3.960 0.000 0.000 0.291 141 G HA3 0.510 4.470 3.960 0.000 0.000 0.291 141 G C -2.334 172.250 174.900 -0.526 0.000 1.425 141 G CA -1.063 43.618 45.100 -0.698 0.000 0.787 141 G HN 0.198 nan 8.290 nan 0.000 0.484 142 K N -0.378 119.744 120.400 -0.464 0.000 2.508 142 K HA 0.625 4.945 4.320 0.000 0.000 0.260 142 K C -1.104 175.408 176.600 -0.147 0.000 0.949 142 K CA -0.685 55.478 56.287 -0.207 0.000 0.834 142 K CB 2.793 35.261 32.500 -0.054 0.000 1.365 142 K HN 0.320 nan 8.250 nan 0.000 0.437 143 V N 4.577 124.461 119.914 -0.051 0.000 2.455 143 V HA 0.038 4.158 4.120 0.000 0.000 0.273 143 V C 1.217 177.268 176.094 -0.072 0.000 1.045 143 V CA -0.150 62.118 62.300 -0.054 0.000 0.976 143 V CB 0.956 32.754 31.823 -0.043 0.000 0.993 143 V HN 0.733 nan 8.190 nan 0.000 0.475 144 V N 2.360 122.234 119.914 -0.066 0.000 2.575 144 V HA 0.237 4.357 4.120 0.000 0.000 0.242 144 V C 0.812 176.859 176.094 -0.078 0.000 1.045 144 V CA 1.026 63.294 62.300 -0.055 0.000 1.065 144 V CB 0.210 32.015 31.823 -0.030 0.000 0.717 144 V HN 0.798 nan 8.190 nan 0.000 0.467 145 S N -1.386 114.268 115.700 -0.076 0.000 2.595 145 S HA 0.729 5.199 4.470 0.000 0.000 0.281 145 S C 0.595 175.137 174.600 -0.097 0.000 1.117 145 S CA 0.192 58.341 58.200 -0.086 0.000 0.873 145 S CB 1.356 64.526 63.200 -0.050 0.000 1.108 145 S HN 2.027 nan 8.310 nan 0.000 0.477 146 G N 1.608 110.343 108.800 -0.108 0.000 2.137 146 G HA2 -0.276 3.684 3.960 0.000 0.000 0.237 146 G HA3 -0.276 3.684 3.960 0.000 0.000 0.237 146 G C 0.793 175.589 174.900 -0.173 0.000 1.002 146 G CA 0.431 45.475 45.100 -0.094 0.000 0.702 146 G HN 0.911 nan 8.290 nan 0.000 0.515 147 Q N 0.637 120.232 119.800 -0.342 0.000 2.364 147 Q HA -0.105 4.235 4.340 0.000 0.000 0.209 147 Q C 1.959 177.768 176.000 -0.318 0.000 0.977 147 Q CA 1.572 56.969 55.803 -0.676 0.000 0.885 147 Q CB -0.360 27.493 28.738 -1.475 0.000 0.941 147 Q HN 0.814 nan 8.270 nan 0.000 0.464 148 E N 1.378 121.486 120.200 -0.153 0.000 2.274 148 E HA -0.063 4.287 4.350 0.000 0.000 0.194 148 E C 1.850 178.455 176.600 0.008 0.000 0.996 148 E CA 0.776 57.158 56.400 -0.029 0.000 0.840 148 E CB -0.380 29.306 29.700 -0.023 0.000 0.772 148 E HN 0.226 nan 8.360 nan 0.000 0.491 149 V N 1.335 121.240 119.914 -0.015 0.000 2.548 149 V HA -0.160 3.960 4.120 0.000 0.000 0.249 149 V C 2.607 178.706 176.094 0.008 0.000 1.055 149 V CA 1.167 63.471 62.300 0.007 0.000 1.065 149 V CB -0.168 31.663 31.823 0.013 0.000 0.681 149 V HN 0.105 nan 8.190 nan 0.000 0.462 150 V N -0.029 119.902 119.914 0.027 0.000 2.358 150 V HA -0.234 3.886 4.120 0.000 0.000 0.246 150 V C 2.584 178.740 176.094 0.104 0.000 1.047 150 V CA 2.543 64.877 62.300 0.056 0.000 1.035 150 V CB -0.866 31.101 31.823 0.240 0.000 0.658 150 V HN 0.586 nan 8.190 nan 0.000 0.452 151 T N -0.432 114.243 114.554 0.203 0.000 2.788 151 T HA -0.239 4.111 4.350 0.000 0.000 0.268 151 T C 1.946 176.787 174.700 0.235 0.000 1.044 151 T CA 1.856 64.111 62.100 0.257 0.000 1.139 151 T CB -0.166 68.863 68.868 0.269 0.000 0.867 151 T HN 0.446 nan 8.240 nan 0.000 0.454 152 K N 0.814 121.292 120.400 0.129 0.000 2.026 152 K HA -0.024 4.296 4.320 0.000 0.000 0.208 152 K C 2.130 178.777 176.600 0.078 0.000 1.048 152 K CA 1.249 57.598 56.287 0.103 0.000 0.929 152 K CB -0.320 32.214 32.500 0.056 0.000 0.713 152 K HN 0.300 nan 8.250 nan 0.000 0.439 153 I N 1.053 121.626 120.570 0.005 0.000 2.142 153 I HA -0.270 3.900 4.170 0.000 0.000 0.240 153 I C 2.581 178.646 176.117 -0.087 0.000 1.078 153 I CA 1.612 62.873 61.300 -0.066 0.000 1.343 153 I CB -0.480 37.396 38.000 -0.207 0.000 1.046 153 I HN 0.401 nan 8.210 nan 0.000 0.405 154 E N 0.788 120.911 120.200 -0.128 0.000 2.187 154 E HA -0.261 4.089 4.350 0.000 0.000 0.199 154 E C 1.313 177.687 176.600 -0.376 0.000 1.004 154 E CA 1.663 57.902 56.400 -0.269 0.000 0.813 154 E CB -0.056 29.442 29.700 -0.336 0.000 0.736 154 E HN 0.597 nan 8.360 nan 0.000 0.468 155 Y N 0.054 120.341 120.300 -0.021 0.000 2.571 155 Y HA 0.261 4.811 4.550 0.000 0.000 0.275 155 Y C 0.154 176.050 175.900 -0.006 0.000 1.179 155 Y CA -0.505 57.590 58.100 -0.009 0.000 1.242 155 Y CB 0.390 38.849 38.460 -0.001 0.000 1.126 155 Y HN -0.066 nan 8.280 nan 0.000 0.524 156 L N 1.079 122.343 121.223 0.070 0.000 2.426 156 L HA 0.111 4.451 4.340 0.000 0.000 0.271 156 L C 0.634 177.527 176.870 0.039 0.000 1.169 156 L CA -0.262 54.611 54.840 0.055 0.000 0.836 156 L CB 0.608 42.686 42.059 0.032 0.000 1.112 156 L HN 0.080 nan 8.230 nan 0.000 0.465 157 K N 1.498 121.923 120.400 0.043 0.000 2.436 157 K HA 0.126 4.446 4.320 0.000 0.000 0.275 157 K C -0.114 176.499 176.600 0.021 0.000 0.999 157 K CA 0.078 56.384 56.287 0.032 0.000 0.980 157 K CB 0.544 33.063 32.500 0.031 0.000 0.919 157 K HN 0.782 nan 8.250 nan 0.000 0.484 158 T N 0.292 114.853 114.554 0.013 0.000 2.887 158 T HA 0.349 4.699 4.350 0.000 0.000 0.292 158 T C -0.329 174.377 174.700 0.010 0.000 1.087 158 T CA -1.166 60.940 62.100 0.009 0.000 1.009 158 T CB 1.084 69.950 68.868 -0.003 0.000 1.203 158 T HN 0.707 nan 8.240 nan 0.000 0.518 159 N N 0.001 118.708 118.700 0.012 0.000 2.366 159 N HA 0.195 4.935 4.740 0.000 0.000 0.277 159 N C 1.465 176.979 175.510 0.007 0.000 1.275 159 N CA -0.069 52.988 53.050 0.012 0.000 0.964 159 N CB -0.112 38.385 38.487 0.016 0.000 1.167 159 N HN 0.771 nan 8.380 nan 0.000 0.568 160 S N -1.633 114.071 115.700 0.006 0.000 2.500 160 S HA -0.101 4.369 4.470 0.000 0.000 0.239 160 S C 0.841 175.442 174.600 0.001 0.000 0.989 160 S CA 0.705 58.906 58.200 0.001 0.000 0.951 160 S CB -0.462 62.739 63.200 0.001 0.000 0.759 160 S HN 0.611 nan 8.310 nan 0.000 0.523 161 K N 0.965 121.369 120.400 0.008 0.000 2.397 161 K HA 0.229 4.549 4.320 0.000 0.000 0.202 161 K C -0.258 176.349 176.600 0.010 0.000 1.022 161 K CA -0.105 56.190 56.287 0.012 0.000 1.141 161 K CB 0.036 32.550 32.500 0.024 0.000 0.857 161 K HN 0.247 nan 8.250 nan 0.000 0.514 162 N N 1.527 120.227 118.700 0.001 0.000 2.818 162 N HA -0.190 4.550 4.740 0.000 0.000 0.250 162 N C -0.391 175.114 175.510 -0.008 0.000 1.108 162 N CA 0.714 53.757 53.050 -0.012 0.000 0.745 162 N CB -0.954 37.519 38.487 -0.023 0.000 1.104 162 N HN 0.369 nan 8.380 nan 0.000 0.557 163 R N 1.173 121.681 120.500 0.014 0.000 2.312 163 R HA 0.364 4.705 4.340 0.000 0.000 0.311 163 R C -2.598 173.718 176.300 0.026 0.000 1.004 163 R CA -1.335 54.784 56.100 0.032 0.000 0.902 163 R CB 1.036 31.371 30.300 0.057 0.000 1.073 163 R HN -0.213 nan 8.270 nan 0.000 0.457 164 P HA -0.020 nan 4.420 nan 0.000 0.267 164 P C 0.362 177.685 177.300 0.038 0.000 1.205 164 P CA 0.147 63.264 63.100 0.030 0.000 0.765 164 P CB 0.606 32.330 31.700 0.039 0.000 0.828 165 L N 1.757 122.999 121.223 0.031 0.000 2.131 165 L HA -0.093 4.247 4.340 0.000 0.000 0.210 165 L C 1.233 178.125 176.870 0.036 0.000 1.092 165 L CA 1.025 55.884 54.840 0.031 0.000 0.759 165 L CB -0.542 41.533 42.059 0.027 0.000 0.903 165 L HN 0.384 nan 8.230 nan 0.000 0.435 166 A N -0.134 122.710 122.820 0.039 0.000 2.309 166 A HA 0.246 4.566 4.320 0.000 0.000 0.298 166 A C -0.570 177.047 177.584 0.055 0.000 1.165 166 A CA -0.654 51.410 52.037 0.044 0.000 0.821 166 A CB 0.246 19.271 19.000 0.042 0.000 1.102 166 A HN 0.062 nan 8.150 nan 0.000 0.500 167 D N 2.183 122.618 120.400 0.057 0.000 2.358 167 D HA 0.237 4.877 4.640 0.000 0.000 0.258 167 D C -0.278 176.075 176.300 0.088 0.000 1.223 167 D CA 0.371 54.413 54.000 0.070 0.000 0.886 167 D CB 1.102 41.937 40.800 0.059 0.000 1.120 167 D HN 0.144 nan 8.370 nan 0.000 0.482 168 V N 3.751 123.738 119.914 0.122 0.000 2.353 168 V HA 0.137 4.258 4.120 0.000 0.000 0.264 168 V C 0.566 176.769 176.094 0.183 0.000 1.049 168 V CA -0.556 61.850 62.300 0.175 0.000 0.896 168 V CB 1.124 33.096 31.823 0.247 0.000 1.025 168 V HN 0.202 nan 8.190 nan 0.000 0.475 169 V N 6.051 126.049 119.914 0.139 0.000 2.667 169 V HA 0.450 4.570 4.120 0.000 0.000 0.308 169 V C 0.237 176.390 176.094 0.098 0.000 1.048 169 V CA -0.655 61.701 62.300 0.092 0.000 0.928 169 V CB 2.396 34.256 31.823 0.062 0.000 1.004 169 V HN 0.657 nan 8.190 nan 0.000 0.444 170 I N 4.465 125.061 120.570 0.042 0.000 2.227 170 I HA 0.052 4.222 4.170 0.000 0.000 0.297 170 I C 1.280 177.404 176.117 0.011 0.000 1.173 170 I CA -0.118 61.202 61.300 0.034 0.000 1.356 170 I CB 0.750 38.730 38.000 -0.033 0.000 1.485 170 I HN 0.627 nan 8.210 nan 0.000 0.604 171 L N 5.211 126.460 121.223 0.044 0.000 2.081 171 L HA -0.122 4.218 4.340 0.000 0.000 0.212 171 L C 0.556 177.435 176.870 0.015 0.000 1.080 171 L CA 1.968 56.828 54.840 0.034 0.000 0.754 171 L CB -0.358 41.736 42.059 0.058 0.000 0.893 171 L HN 0.703 nan 8.230 nan 0.000 0.433 172 N N -2.308 116.404 118.700 0.020 0.000 2.859 172 N HA 0.481 5.221 4.740 0.000 0.000 0.250 172 N C -1.492 173.950 175.510 -0.114 0.000 1.341 172 N CA -0.113 52.936 53.050 -0.001 0.000 0.881 172 N CB 1.272 39.830 38.487 0.118 0.000 1.516 172 N HN 0.266 nan 8.380 nan 0.000 0.503 173 C N -0.462 118.649 119.300 -0.315 0.000 3.320 173 C HA 1.085 5.545 4.460 0.000 0.000 0.335 173 C C 0.272 174.706 174.990 -0.927 0.000 1.430 173 C CA -0.048 58.460 59.018 -0.851 0.000 1.271 173 C CB 1.023 28.483 27.740 -0.467 0.000 1.609 173 C HN 1.089 nan 8.230 nan 0.000 0.457 174 G N -0.101 108.016 108.800 -1.139 0.000 2.345 174 G HA2 0.451 4.411 3.960 0.000 0.000 0.285 174 G HA3 0.451 4.411 3.960 0.000 0.000 0.285 174 G C -2.190 172.651 174.900 -0.098 0.000 1.297 174 G CA -0.129 44.746 45.100 -0.374 0.000 0.875 174 G HN 1.163 nan 8.290 nan 0.000 0.506 175 E N -0.365 119.927 120.200 0.155 0.000 2.179 175 E HA 0.603 4.953 4.350 0.000 0.000 0.275 175 E C -0.628 176.121 176.600 0.248 0.000 0.945 175 E CA -0.720 55.786 56.400 0.176 0.000 0.792 175 E CB 1.280 31.025 29.700 0.076 0.000 1.125 175 E HN 0.383 nan 8.360 nan 0.000 0.397 176 L N 5.694 127.042 121.223 0.208 0.000 2.264 176 L HA 0.339 4.679 4.340 0.000 0.000 0.287 176 L C 0.002 176.909 176.870 0.062 0.000 1.039 176 L CA -0.734 54.170 54.840 0.106 0.000 0.829 176 L CB 0.781 42.879 42.059 0.066 0.000 1.211 176 L HN 0.409 nan 8.230 nan 0.000 0.427 177 V N 0.000 119.939 119.914 0.042 0.000 2.409 177 V HA 0.000 4.120 4.120 0.000 0.000 0.244 177 V CA 0.000 62.317 62.300 0.028 0.000 1.235 177 V CB 0.000 31.840 31.823 0.028 0.000 1.184 177 V HN 0.000 nan 8.190 nan 0.000 0.556