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 3czx_1_D DATA FIRST_RESID 2 DATA SEQUENCE SKIICLTAGH SNTDPGAVNG SDREADLAQD XRNIVASILR NDYGLTVKTD DATA SEQUENCE GTGKGNXPLR DAVKLIRGSD VAIEFHTNAA ANKTATGIEA LSTPKNKRWC DATA SEQUENCE QVLGKAVAKK TGWKLRGEDG FKPDNAGQHS RLAYAQAGGI VFEPFFISND DATA SEQUENCE TDLALFKTTK WGICRAIADA IAXELGAAKV 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.614 174.600 0.024 0.000 1.055 2 S CA 0.000 58.215 58.200 0.024 0.000 1.107 2 S CB 0.000 63.212 63.200 0.021 0.000 0.593 3 K N 1.241 121.659 120.400 0.030 0.000 2.185 3 K HA 0.635 4.955 4.320 0.000 0.000 0.271 3 K C -0.872 175.739 176.600 0.019 0.000 1.013 3 K CA -0.205 56.100 56.287 0.030 0.000 0.943 3 K CB 1.015 33.542 32.500 0.046 0.000 0.998 3 K HN 0.370 nan 8.250 nan 0.000 0.468 4 I N 3.836 124.409 120.570 0.004 0.000 2.499 4 I HA 0.304 4.474 4.170 0.000 0.000 0.288 4 I C -0.892 175.199 176.117 -0.043 0.000 1.048 4 I CA -0.907 60.386 61.300 -0.011 0.000 1.062 4 I CB 1.615 39.607 38.000 -0.013 0.000 1.238 4 I HN 0.374 nan 8.210 nan 0.000 0.426 5 I N 5.813 126.358 120.570 -0.043 0.000 2.433 5 I HA 0.320 4.490 4.170 0.000 0.000 0.292 5 I C -0.317 175.771 176.117 -0.050 0.000 1.001 5 I CA -0.390 60.861 61.300 -0.081 0.000 1.119 5 I CB 1.759 39.719 38.000 -0.067 0.000 1.289 5 I HN 0.522 nan 8.210 nan 0.000 0.438 6 C N 7.942 127.200 119.300 -0.070 0.000 2.303 6 C HA 0.751 5.211 4.460 0.000 0.000 0.326 6 C C -0.577 174.416 174.990 0.006 0.000 1.285 6 C CA -0.559 58.447 59.018 -0.020 0.000 1.675 6 C CB -0.670 27.052 27.740 -0.029 0.000 2.289 6 C HN 0.725 nan 8.230 nan 0.000 0.512 7 L N 6.803 128.062 121.223 0.061 0.000 2.381 7 L HA 0.681 5.021 4.340 0.000 0.000 0.274 7 L C 0.388 177.335 176.870 0.128 0.000 0.988 7 L CA -0.047 54.864 54.840 0.120 0.000 0.824 7 L CB 2.320 44.513 42.059 0.222 0.000 1.263 7 L HN 0.862 nan 8.230 nan 0.000 0.410 8 T N -0.386 114.233 114.554 0.109 0.000 2.864 8 T HA 0.889 5.239 4.350 0.000 0.000 0.289 8 T C -0.681 174.057 174.700 0.064 0.000 1.082 8 T CA -0.816 61.322 62.100 0.063 0.000 1.009 8 T CB 2.324 71.207 68.868 0.025 0.000 1.234 8 T HN 0.638 nan 8.240 nan 0.000 0.526 9 A N 0.162 122.979 122.820 -0.006 0.000 2.365 9 A HA 0.864 5.184 4.320 0.000 0.000 0.318 9 A C 0.458 177.918 177.584 -0.207 0.000 1.091 9 A CA -0.534 51.474 52.037 -0.049 0.000 0.763 9 A CB 0.956 19.945 19.000 -0.019 0.000 1.248 9 A HN 1.362 nan 8.150 nan 0.000 0.442 10 G N 1.375 109.916 108.800 -0.432 0.000 2.432 10 G HA2 0.520 4.480 3.960 0.000 0.000 0.257 10 G HA3 0.520 4.480 3.960 0.000 0.000 0.257 10 G C -0.024 174.696 174.900 -0.301 0.000 1.238 10 G CA 0.373 45.055 45.100 -0.696 0.000 0.838 10 G HN 1.077 nan 8.290 nan 0.000 0.547 11 H N -1.035 117.939 119.070 -0.160 0.000 4.187 11 H HA -0.176 4.380 4.556 0.000 0.000 0.212 11 H C 0.334 175.618 175.328 -0.074 0.000 0.768 11 H CA 0.686 56.676 56.048 -0.095 0.000 1.046 11 H CB -1.348 28.349 29.762 -0.108 0.000 1.414 11 H HN 1.180 nan 8.280 nan 0.000 0.310 12 S N -0.814 114.940 115.700 0.090 0.000 2.685 12 S HA 0.385 4.855 4.470 0.000 0.000 0.282 12 S C 0.801 175.415 174.600 0.024 0.000 1.159 12 S CA -0.249 57.971 58.200 0.032 0.000 0.833 12 S CB 2.731 65.944 63.200 0.022 0.000 1.151 12 S HN 0.675 nan 8.310 nan 0.000 0.485 13 N N 0.901 119.608 118.700 0.012 0.000 2.120 13 N HA -0.129 4.611 4.740 0.000 0.000 0.188 13 N C 1.847 177.359 175.510 0.004 0.000 1.024 13 N CA 2.681 55.734 53.050 0.006 0.000 0.852 13 N CB -0.517 37.973 38.487 0.005 0.000 1.003 13 N HN 0.832 nan 8.380 nan 0.000 0.424 14 T N -3.396 111.162 114.554 0.007 0.000 2.851 14 T HA -0.078 4.272 4.350 0.000 0.000 0.262 14 T C 0.568 175.272 174.700 0.006 0.000 1.043 14 T CA 0.942 63.045 62.100 0.005 0.000 1.140 14 T CB -0.308 68.564 68.868 0.006 0.000 0.872 14 T HN 0.200 nan 8.240 nan 0.000 0.446 15 D N 3.289 123.701 120.400 0.020 0.000 2.479 15 D HA 0.303 4.943 4.640 0.000 0.000 0.247 15 D C -2.091 174.232 176.300 0.039 0.000 1.119 15 D CA -2.642 51.377 54.000 0.031 0.000 0.922 15 D CB 1.563 42.403 40.800 0.066 0.000 1.014 15 D HN 0.100 nan 8.370 nan 0.000 0.510 16 P HA 0.199 nan 4.420 nan 0.000 0.255 16 P C 0.881 178.021 177.300 -0.268 0.000 1.301 16 P CA 0.242 63.299 63.100 -0.073 0.000 0.817 16 P CB 0.180 31.841 31.700 -0.066 0.000 1.259 17 G N 0.781 109.306 108.800 -0.460 0.000 2.539 17 G HA2 -0.132 3.828 3.960 0.000 0.000 0.256 17 G HA3 -0.132 3.828 3.960 0.000 0.000 0.256 17 G C -0.045 174.604 174.900 -0.418 0.000 1.233 17 G CA -0.272 44.298 45.100 -0.884 0.000 0.936 17 G HN 0.494 nan 8.290 nan 0.000 0.571 18 A N -0.582 122.013 122.820 -0.375 0.000 2.407 18 A HA 0.719 5.039 4.320 0.000 0.000 0.248 18 A C 0.728 178.213 177.584 -0.165 0.000 1.082 18 A CA 0.808 52.715 52.037 -0.216 0.000 0.785 18 A CB 0.491 19.376 19.000 -0.191 0.000 1.020 18 A HN 2.385 nan 8.150 nan 0.000 0.489 19 V N 0.163 120.013 119.914 -0.106 0.000 2.914 19 V HA 0.805 4.925 4.120 0.000 0.000 0.314 19 V C -0.734 175.337 176.094 -0.037 0.000 1.084 19 V CA -1.005 61.254 62.300 -0.068 0.000 0.963 19 V CB 2.194 33.984 31.823 -0.056 0.000 1.025 19 V HN 0.855 nan 8.190 nan 0.000 0.432 20 N N 1.924 120.616 118.700 -0.014 0.000 2.609 20 N HA 0.582 5.322 4.740 0.000 0.000 0.268 20 N C 0.330 175.848 175.510 0.013 0.000 1.106 20 N CA 0.920 53.974 53.050 0.006 0.000 0.823 20 N CB 1.438 39.941 38.487 0.026 0.000 1.263 20 N HN 1.702 nan 8.380 nan 0.000 0.533 21 G N 2.644 111.449 108.800 0.007 0.000 2.561 21 G HA2 -0.339 3.621 3.960 0.000 0.000 0.289 21 G HA3 -0.339 3.621 3.960 0.000 0.000 0.289 21 G C 0.643 175.548 174.900 0.008 0.000 1.169 21 G CA 0.710 45.816 45.100 0.010 0.000 0.980 21 G HN 1.150 nan 8.290 nan 0.000 0.550 22 S N 0.578 116.288 115.700 0.016 0.000 2.577 22 S HA 0.335 4.805 4.470 0.000 0.000 0.219 22 S C 0.069 174.682 174.600 0.021 0.000 0.962 22 S CA 0.779 58.988 58.200 0.015 0.000 0.921 22 S CB 0.322 63.533 63.200 0.018 0.000 0.789 22 S HN 0.543 nan 8.310 nan 0.000 0.497 23 D N 2.773 123.189 120.400 0.027 0.000 2.295 23 D HA 0.321 4.961 4.640 0.000 0.000 0.248 23 D C -0.080 176.224 176.300 0.006 0.000 1.154 23 D CA 0.036 54.058 54.000 0.037 0.000 0.857 23 D CB 0.940 41.780 40.800 0.066 0.000 1.117 23 D HN 0.340 nan 8.370 nan 0.000 0.468 24 R N 1.570 122.066 120.500 -0.006 0.000 2.562 24 R HA 0.151 4.491 4.340 0.000 0.000 0.298 24 R C 1.136 177.392 176.300 -0.073 0.000 0.961 24 R CA -0.688 55.383 56.100 -0.048 0.000 0.881 24 R CB 2.171 32.444 30.300 -0.044 0.000 1.159 24 R HN 0.448 nan 8.270 nan 0.000 0.450 25 E N 2.702 122.820 120.200 -0.138 0.000 2.097 25 E HA -0.279 4.071 4.350 0.000 0.000 0.196 25 E C 1.511 178.036 176.600 -0.124 0.000 1.000 25 E CA 2.026 58.319 56.400 -0.179 0.000 0.804 25 E CB 0.075 29.608 29.700 -0.278 0.000 0.740 25 E HN 0.748 nan 8.360 nan 0.000 0.454 26 A N 1.077 123.841 122.820 -0.093 0.000 1.933 26 A HA -0.218 4.102 4.320 0.000 0.000 0.218 26 A C 1.786 179.349 177.584 -0.034 0.000 1.175 26 A CA 1.891 53.907 52.037 -0.034 0.000 0.628 26 A CB -0.448 18.549 19.000 -0.005 0.000 0.814 26 A HN 0.333 nan 8.150 nan 0.000 0.444 27 D N 0.063 120.447 120.400 -0.028 0.000 2.123 27 D HA -0.063 4.577 4.640 0.000 0.000 0.200 27 D C 1.972 178.274 176.300 0.002 0.000 0.976 27 D CA 0.963 54.960 54.000 -0.006 0.000 0.831 27 D CB -0.359 40.448 40.800 0.011 0.000 0.974 27 D HN 0.463 nan 8.370 nan 0.000 0.469 28 L N 0.804 122.026 121.223 -0.002 0.000 2.093 28 L HA -0.077 4.263 4.340 0.000 0.000 0.208 28 L C 2.570 179.419 176.870 -0.035 0.000 1.085 28 L CA 0.964 55.821 54.840 0.027 0.000 0.755 28 L CB -0.445 41.596 42.059 -0.030 0.000 0.904 28 L HN -0.039 nan 8.230 nan 0.000 0.435 29 A N -0.195 122.577 122.820 -0.080 0.000 1.902 29 A HA -0.294 4.026 4.320 0.000 0.000 0.217 29 A C 2.301 179.843 177.584 -0.070 0.000 1.181 29 A CA 1.940 53.934 52.037 -0.072 0.000 0.623 29 A CB -0.636 18.307 19.000 -0.096 0.000 0.818 29 A HN 0.518 nan 8.150 nan 0.000 0.443 30 Q N -0.047 119.722 119.800 -0.053 0.000 2.096 30 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 30 Q C 0.135 176.084 176.000 -0.085 0.000 0.982 30 Q CA 1.383 57.157 55.803 -0.048 0.000 0.850 30 Q CB -0.247 28.476 28.738 -0.025 0.000 0.901 30 Q HN 0.574 nan 8.270 nan 0.000 0.422 34 N N 1.611 120.243 118.700 -0.114 0.000 2.142 34 N HA 0.001 4.741 4.740 0.000 0.000 0.186 34 N C 1.940 177.410 175.510 -0.066 0.000 1.023 34 N CA 1.912 54.926 53.050 -0.060 0.000 0.852 34 N CB -0.171 38.285 38.487 -0.050 0.000 0.998 34 N HN 0.350 nan 8.380 nan 0.000 0.424 35 I N 0.059 120.525 120.570 -0.173 0.000 2.233 35 I HA -0.175 3.995 4.170 0.000 0.000 0.243 35 I C 2.028 178.111 176.117 -0.057 0.000 1.093 35 I CA 0.649 61.844 61.300 -0.174 0.000 1.380 35 I CB -0.339 37.371 38.000 -0.482 0.000 1.067 35 I HN -0.104 nan 8.210 nan 0.000 0.413 36 V N 1.316 121.176 119.914 -0.090 0.000 2.287 36 V HA -0.321 3.799 4.120 0.000 0.000 0.248 36 V C 2.781 178.920 176.094 0.075 0.000 1.053 36 V CA 2.108 64.423 62.300 0.024 0.000 1.027 36 V CB -1.133 30.727 31.823 0.063 0.000 0.646 36 V HN 0.505 nan 8.190 nan 0.000 0.447 37 A N 0.826 123.683 122.820 0.062 0.000 1.908 37 A HA -0.234 4.086 4.320 0.000 0.000 0.218 37 A C 2.569 180.205 177.584 0.087 0.000 1.181 37 A CA 2.500 54.585 52.037 0.080 0.000 0.627 37 A CB -0.835 18.206 19.000 0.069 0.000 0.818 37 A HN 0.705 nan 8.150 nan 0.000 0.445 38 S N 0.159 115.909 115.700 0.082 0.000 2.368 38 S HA -0.130 4.340 4.470 0.000 0.000 0.225 38 S C 1.891 176.565 174.600 0.125 0.000 1.030 38 S CA 1.471 59.731 58.200 0.100 0.000 0.999 38 S CB -0.789 62.479 63.200 0.114 0.000 0.844 38 S HN 0.486 nan 8.310 nan 0.000 0.459 39 I N 1.524 122.181 120.570 0.144 0.000 2.202 39 I HA -0.125 4.045 4.170 0.000 0.000 0.242 39 I C 2.504 178.777 176.117 0.260 0.000 1.091 39 I CA 1.114 62.527 61.300 0.187 0.000 1.368 39 I CB -0.489 37.631 38.000 0.199 0.000 1.058 39 I HN 0.259 nan 8.210 nan 0.000 0.410 40 L N 0.267 121.623 121.223 0.221 0.000 2.042 40 L HA -0.224 4.116 4.340 0.000 0.000 0.210 40 L C 2.803 179.812 176.870 0.230 0.000 1.076 40 L CA 1.547 56.524 54.840 0.229 0.000 0.749 40 L CB -0.538 41.582 42.059 0.102 0.000 0.893 40 L HN 0.184 nan 8.230 nan 0.000 0.432 41 R N -0.449 120.144 120.500 0.155 0.000 2.057 41 R HA -0.093 4.247 4.340 0.000 0.000 0.229 41 R C 2.201 178.568 176.300 0.112 0.000 1.136 41 R CA 1.449 57.621 56.100 0.119 0.000 0.952 41 R CB -0.324 30.029 30.300 0.088 0.000 0.848 41 R HN 0.354 nan 8.270 nan 0.000 0.430 42 N N 0.626 119.388 118.700 0.103 0.000 2.080 42 N HA -0.124 4.616 4.740 0.000 0.000 0.189 42 N C 1.143 176.671 175.510 0.030 0.000 1.036 42 N CA 1.456 54.544 53.050 0.064 0.000 0.846 42 N CB -0.289 38.236 38.487 0.062 0.000 1.015 42 N HN 0.161 nan 8.380 nan 0.000 0.423 43 D N -1.166 119.250 120.400 0.026 0.000 2.249 43 D HA 0.010 4.650 4.640 0.000 0.000 0.205 43 D C 1.016 177.105 176.300 -0.350 0.000 0.962 43 D CA 0.782 54.673 54.000 -0.181 0.000 0.860 43 D CB -0.020 40.606 40.800 -0.291 0.000 0.955 43 D HN 0.376 nan 8.370 nan 0.000 0.505 44 Y N -0.920 119.407 120.300 0.044 0.000 2.426 44 Y HA 0.312 4.862 4.550 -0.000 0.000 0.249 44 Y C 1.678 177.601 175.900 0.038 0.000 1.103 44 Y CA 0.102 58.228 58.100 0.043 0.000 1.256 44 Y CB 0.848 39.339 38.460 0.052 0.000 1.208 44 Y HN -0.040 nan 8.280 nan 0.000 0.519 45 G N 1.466 110.364 108.800 0.163 0.000 2.198 45 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 45 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 45 G C -0.065 174.902 174.900 0.112 0.000 1.025 45 G CA 0.168 45.334 45.100 0.109 0.000 0.769 45 G HN 0.251 nan 8.290 nan 0.000 0.507 46 L N 0.354 121.659 121.223 0.137 0.000 2.418 46 L HA 0.414 4.754 4.340 0.000 0.000 0.265 46 L C 1.091 178.002 176.870 0.068 0.000 1.143 46 L CA -0.505 54.392 54.840 0.096 0.000 0.809 46 L CB 0.929 43.038 42.059 0.083 0.000 1.124 46 L HN 0.089 nan 8.230 nan 0.000 0.456 47 T N 2.327 116.910 114.554 0.049 0.000 2.752 47 T HA 0.293 4.643 4.350 0.000 0.000 0.295 47 T C -0.143 174.575 174.700 0.029 0.000 0.923 47 T CA -0.258 61.864 62.100 0.036 0.000 1.112 47 T CB 0.319 69.203 68.868 0.026 0.000 0.884 47 T HN 0.224 nan 8.240 nan 0.000 0.525 48 V N 5.159 125.094 119.914 0.035 0.000 2.444 48 V HA 0.408 4.528 4.120 0.000 0.000 0.294 48 V C 0.037 176.149 176.094 0.031 0.000 1.022 48 V CA -1.030 61.290 62.300 0.032 0.000 0.850 48 V CB 1.744 33.597 31.823 0.049 0.000 0.992 48 V HN 0.711 nan 8.190 nan 0.000 0.426 49 K N 2.987 123.401 120.400 0.023 0.000 2.185 49 K HA 0.745 5.065 4.320 0.000 0.000 0.269 49 K C 0.077 176.699 176.600 0.037 0.000 0.987 49 K CA -0.365 55.937 56.287 0.025 0.000 0.865 49 K CB 1.895 34.403 32.500 0.013 0.000 1.090 49 K HN 0.947 nan 8.250 nan 0.000 0.450 50 T N -2.315 112.263 114.554 0.041 0.000 2.804 50 T HA 0.213 4.563 4.350 0.000 0.000 0.290 50 T C -0.139 174.588 174.700 0.044 0.000 1.099 50 T CA -0.901 61.230 62.100 0.051 0.000 1.011 50 T CB 1.157 70.058 68.868 0.055 0.000 1.291 50 T HN 0.562 nan 8.240 nan 0.000 0.523 51 D N -0.575 119.853 120.400 0.047 0.000 2.370 51 D HA 0.425 5.065 4.640 0.000 0.000 0.230 51 D C 1.135 177.452 176.300 0.028 0.000 1.143 51 D CA 0.311 54.332 54.000 0.035 0.000 0.834 51 D CB -0.624 40.195 40.800 0.032 0.000 0.944 51 D HN 1.310 nan 8.370 nan 0.000 0.504 52 G N 0.420 109.238 108.800 0.030 0.000 2.582 52 G HA2 -0.196 3.764 3.960 0.000 0.000 0.222 52 G HA3 -0.196 3.764 3.960 0.000 0.000 0.222 52 G C 0.512 175.427 174.900 0.026 0.000 1.311 52 G CA 0.083 45.198 45.100 0.026 0.000 0.915 52 G HN 0.485 nan 8.290 nan 0.000 0.528 53 T N -1.606 112.962 114.554 0.022 0.000 3.054 53 T HA 0.587 4.937 4.350 0.000 0.000 0.255 53 T C 1.431 176.139 174.700 0.015 0.000 1.035 53 T CA 1.224 63.336 62.100 0.020 0.000 0.941 53 T CB 0.459 69.342 68.868 0.025 0.000 1.026 53 T HN 1.807 nan 8.240 nan 0.000 0.533 54 G N 1.699 110.507 108.800 0.013 0.000 2.666 54 G HA2 0.498 4.458 3.960 0.000 0.000 0.207 54 G HA3 0.498 4.458 3.960 0.000 0.000 0.207 54 G C -0.245 174.657 174.900 0.004 0.000 1.481 54 G CA -0.808 44.298 45.100 0.010 0.000 1.071 54 G HN 0.216 nan 8.290 nan 0.000 0.572 55 K N -0.348 120.054 120.400 0.003 0.000 2.118 55 K HA 0.422 4.742 4.320 0.000 0.000 0.240 55 K C 0.784 177.380 176.600 -0.007 0.000 1.035 55 K CA 0.025 56.311 56.287 -0.002 0.000 0.899 55 K CB 0.636 33.137 32.500 0.001 0.000 1.085 55 K HN 0.503 nan 8.250 nan 0.000 0.498 56 G N -0.454 108.335 108.800 -0.019 0.000 3.134 56 G HA2 0.229 4.189 3.960 0.000 0.000 0.158 56 G HA3 0.229 4.189 3.960 0.000 0.000 0.158 56 G C -0.040 174.837 174.900 -0.039 0.000 1.334 56 G CA 0.004 45.084 45.100 -0.034 0.000 1.001 56 G HN 0.671 nan 8.290 nan 0.000 0.600 60 L N 1.957 123.209 121.223 0.048 0.000 2.021 60 L HA -0.179 4.161 4.340 0.000 0.000 0.215 60 L C 2.338 179.224 176.870 0.026 0.000 1.074 60 L CA 2.348 57.222 54.840 0.056 0.000 0.760 60 L CB -0.328 41.758 42.059 0.044 0.000 0.889 60 L HN 0.599 nan 8.230 nan 0.000 0.433 61 R N -0.604 119.905 120.500 0.014 0.000 2.113 61 R HA -0.226 4.114 4.340 0.000 0.000 0.244 61 R C 1.868 178.169 176.300 0.002 0.000 1.142 61 R CA 2.315 58.417 56.100 0.003 0.000 0.953 61 R CB -0.573 29.729 30.300 0.003 0.000 0.860 61 R HN 0.530 nan 8.270 nan 0.000 0.438 62 D N -0.211 120.197 120.400 0.012 0.000 2.162 62 D HA -0.061 4.579 4.640 0.000 0.000 0.203 62 D C 1.781 178.091 176.300 0.017 0.000 0.967 62 D CA 1.231 55.239 54.000 0.013 0.000 0.840 62 D CB -0.148 40.663 40.800 0.019 0.000 0.972 62 D HN 0.417 nan 8.370 nan 0.000 0.482 63 A N 1.051 123.894 122.820 0.038 0.000 1.877 63 A HA -0.127 4.193 4.320 0.000 0.000 0.216 63 A C 2.534 180.090 177.584 -0.045 0.000 1.186 63 A CA 1.026 53.097 52.037 0.057 0.000 0.620 63 A CB -0.822 18.289 19.000 0.185 0.000 0.822 63 A HN 0.116 nan 8.150 nan 0.000 0.443 64 V N 0.455 120.328 119.914 -0.067 0.000 2.453 64 V HA -0.318 3.802 4.120 0.000 0.000 0.252 64 V C 2.540 178.583 176.094 -0.085 0.000 1.068 64 V CA 2.504 64.740 62.300 -0.108 0.000 1.070 64 V CB -0.707 31.070 31.823 -0.076 0.000 0.664 64 V HN 0.733 nan 8.190 nan 0.000 0.461 65 K N -0.016 120.354 120.400 -0.050 0.000 2.025 65 K HA -0.122 4.198 4.320 0.000 0.000 0.207 65 K C 2.128 178.702 176.600 -0.043 0.000 1.049 65 K CA 1.444 57.707 56.287 -0.039 0.000 0.933 65 K CB -0.190 32.298 32.500 -0.021 0.000 0.714 65 K HN 0.406 nan 8.250 nan 0.000 0.438 66 L N 0.939 122.140 121.223 -0.036 0.000 2.083 66 L HA -0.183 4.157 4.340 0.000 0.000 0.209 66 L C 2.437 179.266 176.870 -0.069 0.000 1.083 66 L CA 1.084 55.904 54.840 -0.034 0.000 0.752 66 L CB -0.441 41.616 42.059 -0.004 0.000 0.899 66 L HN 0.260 nan 8.230 nan 0.000 0.433 67 I N -0.737 119.763 120.570 -0.117 0.000 2.179 67 I HA -0.260 3.910 4.170 0.000 0.000 0.242 67 I C 2.793 178.837 176.117 -0.122 0.000 1.088 67 I CA 0.956 62.154 61.300 -0.170 0.000 1.357 67 I CB -0.362 37.472 38.000 -0.277 0.000 1.051 67 I HN 0.245 nan 8.210 nan 0.000 0.409 68 R N 0.876 121.319 120.500 -0.096 0.000 2.096 68 R HA -0.094 4.246 4.340 0.000 0.000 0.235 68 R C 2.141 178.410 176.300 -0.052 0.000 1.127 68 R CA 1.434 57.493 56.100 -0.068 0.000 0.968 68 R CB -1.265 29.003 30.300 -0.054 0.000 0.861 68 R HN 0.428 nan 8.270 nan 0.000 0.440 69 G N 0.404 109.175 108.800 -0.048 0.000 2.848 69 G HA2 -0.091 3.869 3.960 0.000 0.000 0.208 69 G HA3 -0.091 3.869 3.960 0.000 0.000 0.208 69 G C 0.210 175.088 174.900 -0.038 0.000 1.152 69 G CA 0.432 45.511 45.100 -0.035 0.000 0.789 69 G HN 0.381 nan 8.290 nan 0.000 0.531 70 S N -1.331 114.336 115.700 -0.056 0.000 2.566 70 S HA 0.421 4.891 4.470 0.000 0.000 0.298 70 S C 0.005 174.562 174.600 -0.072 0.000 1.083 70 S CA -0.596 57.563 58.200 -0.068 0.000 0.978 70 S CB 2.411 65.554 63.200 -0.095 0.000 1.073 70 S HN -0.015 nan 8.310 nan 0.000 0.491 71 D N 0.371 120.732 120.400 -0.065 0.000 2.149 71 D HA 0.155 4.795 4.640 0.000 0.000 0.201 71 D C 0.382 176.588 176.300 -0.158 0.000 0.972 71 D CA 1.233 55.209 54.000 -0.039 0.000 0.835 71 D CB 0.215 41.031 40.800 0.026 0.000 0.966 71 D HN 0.356 nan 8.370 nan 0.000 0.476 72 V N -0.870 118.852 119.914 -0.321 0.000 2.969 72 V HA 0.695 4.815 4.120 0.000 0.000 0.304 72 V C -1.925 173.931 176.094 -0.397 0.000 1.192 72 V CA -0.847 61.092 62.300 -0.602 0.000 0.962 72 V CB 2.000 32.981 31.823 -1.404 0.000 1.045 72 V HN -0.013 nan 8.190 nan 0.000 0.428 73 A N 6.864 129.482 122.820 -0.337 0.000 2.375 73 A HA 0.916 5.236 4.320 0.000 0.000 0.295 73 A C -1.275 176.243 177.584 -0.110 0.000 1.066 73 A CA -0.416 51.514 52.037 -0.179 0.000 0.722 73 A CB 1.129 20.026 19.000 -0.171 0.000 1.206 73 A HN 0.823 nan 8.150 nan 0.000 0.435 74 I N 1.323 121.837 120.570 -0.093 0.000 2.498 74 I HA 0.408 4.578 4.170 0.000 0.000 0.290 74 I C -0.208 175.756 176.117 -0.256 0.000 1.032 74 I CA -0.285 60.889 61.300 -0.210 0.000 1.073 74 I CB 2.328 40.056 38.000 -0.454 0.000 1.251 74 I HN 0.784 nan 8.210 nan 0.000 0.426 75 E N 5.596 125.594 120.200 -0.336 0.000 2.145 75 E HA 0.477 4.827 4.350 0.000 0.000 0.270 75 E C -1.488 174.936 176.600 -0.293 0.000 0.906 75 E CA -0.638 55.505 56.400 -0.429 0.000 0.761 75 E CB 1.079 30.266 29.700 -0.855 0.000 1.116 75 E HN 0.310 nan 8.360 nan 0.000 0.408 76 F N 3.564 123.484 119.950 -0.050 0.000 2.396 76 F HA 0.347 4.874 4.527 -0.000 0.000 0.343 76 F C 0.812 176.474 175.800 -0.231 0.000 1.104 76 F CA -0.038 57.935 58.000 -0.046 0.000 1.161 76 F CB 0.820 39.790 39.000 -0.050 0.000 1.146 76 F HN 0.412 nan 8.300 nan 0.000 0.522 77 H N -0.436 118.622 119.070 -0.018 0.000 2.977 77 H HA 0.455 5.011 4.556 0.000 0.000 0.350 77 H C -0.731 174.412 175.328 -0.308 0.000 1.238 77 H CA -0.781 55.212 56.048 -0.092 0.000 1.124 77 H CB 2.404 32.141 29.762 -0.042 0.000 1.866 77 H HN 0.559 nan 8.280 nan 0.000 0.550 78 T N -0.550 113.840 114.554 -0.273 0.000 2.885 78 T HA 0.271 4.621 4.350 0.000 0.000 0.285 78 T C 0.281 174.698 174.700 -0.472 0.000 1.019 78 T CA -0.985 60.746 62.100 -0.615 0.000 1.010 78 T CB 1.994 70.382 68.868 -0.800 0.000 1.022 78 T HN 0.379 nan 8.240 nan 0.000 0.466 79 N N 0.565 118.849 118.700 -0.693 0.000 2.317 79 N HA 0.646 5.386 4.740 0.000 0.000 0.245 79 N C -0.652 174.485 175.510 -0.621 0.000 1.294 79 N CA -0.076 52.482 53.050 -0.820 0.000 0.924 79 N CB 1.163 38.655 38.487 -1.658 0.000 1.186 79 N HN 1.131 nan 8.380 nan 0.000 0.495 80 A N -0.620 121.952 122.820 -0.414 0.000 2.594 80 A HA 0.758 5.078 4.320 0.000 0.000 0.296 80 A C -1.664 176.022 177.584 0.170 0.000 1.061 80 A CA -0.295 51.728 52.037 -0.023 0.000 0.689 80 A CB 0.867 19.817 19.000 -0.083 0.000 1.280 80 A HN 0.773 nan 8.150 nan 0.000 0.406 81 A N -0.122 122.840 122.820 0.237 0.000 2.606 81 A HA 0.847 5.167 4.320 0.000 0.000 0.293 81 A C 0.671 178.289 177.584 0.056 0.000 1.082 81 A CA 0.216 52.341 52.037 0.146 0.000 0.685 81 A CB 0.717 19.814 19.000 0.162 0.000 1.284 81 A HN 2.386 nan 8.150 nan 0.000 0.408 82 A N 0.675 123.509 122.820 0.023 0.000 1.969 82 A HA -0.002 4.318 4.320 0.000 0.000 0.218 82 A C 1.070 178.649 177.584 -0.009 0.000 1.169 82 A CA 1.609 53.647 52.037 0.003 0.000 0.635 82 A CB -0.510 18.489 19.000 -0.003 0.000 0.810 82 A HN 0.892 nan 8.150 nan 0.000 0.445 83 N N 0.798 119.485 118.700 -0.022 0.000 2.402 83 N HA 0.071 4.811 4.740 0.000 0.000 0.259 83 N C 0.194 175.662 175.510 -0.070 0.000 1.167 83 N CA 0.207 53.228 53.050 -0.049 0.000 0.949 83 N CB 0.334 38.778 38.487 -0.071 0.000 1.212 83 N HN 0.307 nan 8.380 nan 0.000 0.493 84 K N 1.186 121.556 120.400 -0.049 0.000 2.551 84 K HA -0.026 4.294 4.320 0.000 0.000 0.192 84 K C 1.002 177.556 176.600 -0.076 0.000 1.027 84 K CA 0.827 57.088 56.287 -0.044 0.000 1.059 84 K CB 0.123 32.613 32.500 -0.017 0.000 0.831 84 K HN 0.652 nan 8.250 nan 0.000 0.508 85 T N -2.938 111.550 114.554 -0.110 0.000 3.023 85 T HA 0.265 4.615 4.350 0.000 0.000 0.253 85 T C 0.771 175.335 174.700 -0.227 0.000 1.038 85 T CA -0.401 61.624 62.100 -0.125 0.000 0.962 85 T CB 0.260 69.077 68.868 -0.084 0.000 1.018 85 T HN 0.065 nan 8.240 nan 0.000 0.521 86 A N 1.226 123.837 122.820 -0.349 0.000 2.498 86 A HA 0.540 4.860 4.320 0.000 0.000 0.239 86 A C 0.399 177.415 177.584 -0.946 0.000 1.068 86 A CA 0.135 51.775 52.037 -0.661 0.000 0.766 86 A CB -0.058 18.438 19.000 -0.841 0.000 1.003 86 A HN 0.462 nan 8.150 nan 0.000 0.497 87 T N 0.033 114.083 114.554 -0.841 0.000 2.932 87 T HA 0.687 5.037 4.350 0.000 0.000 0.318 87 T C -0.352 174.268 174.700 -0.133 0.000 1.265 87 T CA 0.788 62.625 62.100 -0.438 0.000 1.036 87 T CB 1.185 69.929 68.868 -0.207 0.000 1.209 87 T HN 2.655 nan 8.240 nan 0.000 0.484 88 G N 2.016 110.858 108.800 0.071 0.000 2.347 88 G HA2 0.225 4.185 3.960 0.000 0.000 0.477 88 G HA3 0.225 4.185 3.960 0.000 0.000 0.477 88 G C -1.756 173.256 174.900 0.185 0.000 1.349 88 G CA -0.658 44.532 45.100 0.150 0.000 1.000 88 G HN 0.867 nan 8.290 nan 0.000 0.605 89 I N 1.398 122.092 120.570 0.206 0.000 2.377 89 I HA 0.595 4.765 4.170 0.000 0.000 0.293 89 I C 0.291 176.520 176.117 0.186 0.000 0.987 89 I CA -0.494 60.930 61.300 0.207 0.000 1.185 89 I CB 1.753 39.962 38.000 0.347 0.000 1.341 89 I HN 0.813 nan 8.210 nan 0.000 0.455 90 E N 5.592 125.873 120.200 0.136 0.000 2.413 90 E HA 0.856 5.206 4.350 0.000 0.000 0.277 90 E C -1.844 174.874 176.600 0.198 0.000 0.958 90 E CA -1.272 55.210 56.400 0.136 0.000 0.779 90 E CB 2.363 32.085 29.700 0.036 0.000 1.278 90 E HN 0.544 nan 8.360 nan 0.000 0.456 91 A N 1.952 124.875 122.820 0.171 0.000 2.381 91 A HA 0.564 4.884 4.320 0.000 0.000 0.299 91 A C -1.602 175.976 177.584 -0.011 0.000 1.049 91 A CA -0.757 51.380 52.037 0.166 0.000 0.715 91 A CB 1.338 20.442 19.000 0.173 0.000 1.222 91 A HN 0.508 nan 8.150 nan 0.000 0.428 92 L N 2.355 123.524 121.223 -0.090 0.000 2.282 92 L HA 0.862 5.202 4.340 0.000 0.000 0.288 92 L C -0.001 176.822 176.870 -0.078 0.000 1.033 92 L CA 0.583 55.317 54.840 -0.177 0.000 0.807 92 L CB 1.388 43.303 42.059 -0.240 0.000 1.209 92 L HN 0.803 nan 8.230 nan 0.000 0.423 93 S N 1.348 117.034 115.700 -0.022 0.000 2.655 93 S HA 0.560 5.030 4.470 0.000 0.000 0.266 93 S C -0.878 173.842 174.600 0.200 0.000 1.149 93 S CA -0.110 58.156 58.200 0.110 0.000 0.818 93 S CB 0.916 64.227 63.200 0.185 0.000 1.130 93 S HN 0.952 nan 8.310 nan 0.000 0.476 94 T N 1.116 115.762 114.554 0.154 0.000 2.856 94 T HA 0.346 4.696 4.350 0.000 0.000 0.306 94 T C -2.096 172.737 174.700 0.221 0.000 1.062 94 T CA -0.807 61.385 62.100 0.152 0.000 1.083 94 T CB 0.230 69.135 68.868 0.061 0.000 0.984 94 T HN 0.332 nan 8.240 nan 0.000 0.542 95 P HA -0.085 nan 4.420 nan 0.000 0.219 95 P C 1.485 178.721 177.300 -0.106 0.000 1.146 95 P CA 0.948 64.038 63.100 -0.015 0.000 0.808 95 P CB 0.035 31.743 31.700 0.014 0.000 0.779 96 K N 0.270 120.656 120.400 -0.024 0.000 2.127 96 K HA -0.190 4.130 4.320 0.000 0.000 0.208 96 K C 1.017 177.614 176.600 -0.005 0.000 1.047 96 K CA 1.844 58.120 56.287 -0.019 0.000 0.927 96 K CB -0.504 32.000 32.500 0.006 0.000 0.716 96 K HN 0.161 nan 8.250 nan 0.000 0.450 97 N N 0.236 118.948 118.700 0.020 0.000 2.314 97 N HA 0.004 4.744 4.740 0.000 0.000 0.200 97 N C 0.862 176.373 175.510 0.003 0.000 1.135 97 N CA -0.218 52.890 53.050 0.095 0.000 0.835 97 N CB 0.435 38.992 38.487 0.115 0.000 0.989 97 N HN 0.202 nan 8.380 nan 0.000 0.478 98 K N 1.554 121.768 120.400 -0.309 0.000 2.020 98 K HA -0.230 4.090 4.320 0.000 0.000 0.212 98 K C 2.121 178.566 176.600 -0.258 0.000 1.050 98 K CA 1.383 57.267 56.287 -0.673 0.000 0.929 98 K CB 0.065 31.962 32.500 -1.005 0.000 0.714 98 K HN 0.009 nan 8.250 nan 0.000 0.443 99 R N 0.189 120.569 120.500 -0.200 0.000 2.083 99 R HA -0.167 4.173 4.340 0.000 0.000 0.237 99 R C 1.954 178.173 176.300 -0.136 0.000 1.137 99 R CA 2.302 58.292 56.100 -0.184 0.000 0.951 99 R CB -1.084 29.068 30.300 -0.247 0.000 0.851 99 R HN 0.428 nan 8.270 nan 0.000 0.434 100 W N -0.278 120.961 121.300 -0.102 0.000 2.338 100 W HA -0.244 4.416 4.660 0.000 0.000 0.304 100 W C 2.515 178.967 176.519 -0.111 0.000 1.212 100 W CA 1.142 58.428 57.345 -0.098 0.000 1.264 100 W CB -0.523 28.880 29.460 -0.095 0.000 1.142 100 W HN 0.186 nan 8.180 nan 0.000 0.512 101 C N -0.761 118.652 119.300 0.189 0.000 2.425 101 C HA -0.217 4.243 4.460 0.000 0.000 0.277 101 C C 2.471 177.512 174.990 0.084 0.000 1.280 101 C CA 1.127 60.217 59.018 0.120 0.000 1.744 101 C CB -1.265 26.658 27.740 0.305 0.000 1.989 101 C HN 0.427 nan 8.230 nan 0.000 0.491 102 Q N -0.122 119.725 119.800 0.077 0.000 2.083 102 Q HA -0.113 4.227 4.340 0.000 0.000 0.198 102 Q C 2.369 178.390 176.000 0.033 0.000 0.969 102 Q CA 1.241 57.080 55.803 0.060 0.000 0.838 102 Q CB -0.201 28.547 28.738 0.018 0.000 0.900 102 Q HN 0.561 nan 8.270 nan 0.000 0.436 103 V N 1.307 121.216 119.914 -0.007 0.000 2.287 103 V HA -0.288 3.832 4.120 0.000 0.000 0.248 103 V C 2.199 178.319 176.094 0.044 0.000 1.053 103 V CA 1.673 63.965 62.300 -0.014 0.000 1.027 103 V CB -0.524 31.235 31.823 -0.105 0.000 0.646 103 V HN 0.342 nan 8.190 nan 0.000 0.447 104 L N 0.081 121.313 121.223 0.015 0.000 1.994 104 L HA -0.079 4.261 4.340 0.000 0.000 0.208 104 L C 2.696 179.607 176.870 0.068 0.000 1.071 104 L CA 1.854 56.634 54.840 -0.099 0.000 0.745 104 L CB -1.249 40.444 42.059 -0.609 0.000 0.892 104 L HN 0.468 nan 8.230 nan 0.000 0.431 105 G N -0.010 108.855 108.800 0.109 0.000 2.446 105 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 105 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 105 G C 1.676 176.732 174.900 0.260 0.000 1.168 105 G CA 0.716 46.000 45.100 0.308 0.000 0.771 105 G HN 0.299 nan 8.290 nan 0.000 0.551 106 K N 0.568 121.068 120.400 0.167 0.000 2.097 106 K HA 0.053 4.373 4.320 0.000 0.000 0.206 106 K C 2.954 179.634 176.600 0.133 0.000 1.049 106 K CA 0.913 57.279 56.287 0.131 0.000 0.933 106 K CB -0.219 32.330 32.500 0.081 0.000 0.717 106 K HN 0.276 nan 8.250 nan 0.000 0.442 107 A N 1.020 123.927 122.820 0.145 0.000 1.883 107 A HA -0.140 4.180 4.320 0.000 0.000 0.217 107 A C 2.373 180.055 177.584 0.163 0.000 1.186 107 A CA 1.572 53.695 52.037 0.142 0.000 0.624 107 A CB -0.666 18.430 19.000 0.159 0.000 0.822 107 A HN 0.077 nan 8.150 nan 0.000 0.444 108 V N -0.276 119.789 119.914 0.252 0.000 2.379 108 V HA -0.178 3.942 4.120 0.000 0.000 0.245 108 V C 3.037 179.219 176.094 0.146 0.000 1.044 108 V CA 1.714 64.166 62.300 0.253 0.000 1.036 108 V CB -1.221 30.878 31.823 0.459 0.000 0.664 108 V HN 0.613 nan 8.190 nan 0.000 0.453 109 A N -0.053 122.884 122.820 0.195 0.000 1.908 109 A HA -0.267 4.053 4.320 0.000 0.000 0.218 109 A C 2.284 179.894 177.584 0.043 0.000 1.181 109 A CA 2.078 54.201 52.037 0.144 0.000 0.627 109 A CB -0.469 18.633 19.000 0.170 0.000 0.818 109 A HN 0.541 nan 8.150 nan 0.000 0.445 110 K N -0.456 119.972 120.400 0.047 0.000 2.063 110 K HA -0.140 4.180 4.320 0.000 0.000 0.208 110 K C 1.705 178.284 176.600 -0.034 0.000 1.048 110 K CA 1.457 57.754 56.287 0.016 0.000 0.928 110 K CB -0.085 32.433 32.500 0.030 0.000 0.713 110 K HN 0.235 nan 8.250 nan 0.000 0.442 111 K N -0.121 120.241 120.400 -0.064 0.000 2.365 111 K HA -0.011 4.309 4.320 0.000 0.000 0.197 111 K C 1.870 178.322 176.600 -0.246 0.000 1.042 111 K CA 1.311 57.526 56.287 -0.120 0.000 0.987 111 K CB 0.393 32.834 32.500 -0.099 0.000 0.779 111 K HN 0.370 nan 8.250 nan 0.000 0.484 112 T N -4.888 109.450 114.554 -0.359 0.000 2.954 112 T HA 0.227 4.577 4.350 0.000 0.000 0.252 112 T C 1.376 175.806 174.700 -0.450 0.000 0.983 112 T CA 0.618 62.306 62.100 -0.687 0.000 0.941 112 T CB 0.588 68.471 68.868 -1.642 0.000 1.141 112 T HN 0.183 nan 8.240 nan 0.000 0.500 113 G N 0.902 109.591 108.800 -0.185 0.000 2.162 113 G HA2 -0.201 3.759 3.960 0.000 0.000 0.260 113 G HA3 -0.201 3.759 3.960 0.000 0.000 0.260 113 G C -0.080 174.905 174.900 0.142 0.000 0.976 113 G CA -0.023 45.067 45.100 -0.016 0.000 0.655 113 G HN 0.479 nan 8.290 nan 0.000 0.533 114 W N 0.962 122.312 121.300 0.084 0.000 2.202 114 W HA 0.557 5.217 4.660 0.000 0.000 0.332 114 W C 0.904 177.484 176.519 0.101 0.000 1.263 114 W CA -1.394 56.010 57.345 0.099 0.000 1.223 114 W CB 0.525 30.064 29.460 0.132 0.000 1.128 114 W HN 0.112 nan 8.180 nan 0.000 0.573 115 K N 2.361 122.957 120.400 0.326 0.000 2.350 115 K HA 0.215 4.535 4.320 0.000 0.000 0.279 115 K C -0.382 176.349 176.600 0.219 0.000 1.027 115 K CA -0.336 56.076 56.287 0.210 0.000 0.969 115 K CB 0.362 32.946 32.500 0.140 0.000 0.954 115 K HN 0.397 nan 8.250 nan 0.000 0.474 116 L N 5.764 127.098 121.223 0.184 0.000 2.278 116 L HA 0.252 4.592 4.340 0.000 0.000 0.287 116 L C 0.599 177.555 176.870 0.143 0.000 1.072 116 L CA -0.277 54.671 54.840 0.180 0.000 0.819 116 L CB 0.845 43.001 42.059 0.163 0.000 1.176 116 L HN 0.616 nan 8.230 nan 0.000 0.435 117 R N 1.733 122.319 120.500 0.144 0.000 2.580 117 R HA 0.599 4.939 4.340 0.000 0.000 0.267 117 R C 0.837 177.194 176.300 0.094 0.000 1.125 117 R CA 0.234 56.400 56.100 0.110 0.000 1.188 117 R CB 0.503 30.871 30.300 0.114 0.000 1.155 117 R HN 0.810 nan 8.270 nan 0.000 0.586 118 G N 0.737 109.576 108.800 0.064 0.000 2.574 118 G HA2 -0.367 3.593 3.960 0.000 0.000 0.282 118 G HA3 -0.367 3.593 3.960 0.000 0.000 0.282 118 G C -0.495 174.462 174.900 0.096 0.000 1.257 118 G CA 0.125 45.256 45.100 0.051 0.000 0.956 118 G HN 0.671 nan 8.290 nan 0.000 0.560 119 E N 1.597 121.886 120.200 0.148 0.000 1.936 119 E HA 0.339 4.689 4.350 0.000 0.000 0.267 119 E C -0.203 176.500 176.600 0.172 0.000 1.076 119 E CA 0.211 56.712 56.400 0.169 0.000 0.870 119 E CB -0.398 29.437 29.700 0.224 0.000 1.093 119 E HN 0.398 nan 8.360 nan 0.000 0.411 120 D N 3.766 124.244 120.400 0.129 0.000 2.701 120 D HA -0.233 4.407 4.640 0.000 0.000 0.235 120 D C 0.775 177.170 176.300 0.158 0.000 1.155 120 D CA 1.387 55.461 54.000 0.124 0.000 0.649 120 D CB -1.244 39.611 40.800 0.092 0.000 1.050 120 D HN 0.927 nan 8.370 nan 0.000 0.425 121 G N -0.657 108.248 108.800 0.175 0.000 2.213 121 G HA2 -0.312 3.648 3.960 0.000 0.000 0.226 121 G HA3 -0.312 3.648 3.960 0.000 0.000 0.226 121 G C 0.076 175.102 174.900 0.210 0.000 0.992 121 G CA 0.007 45.228 45.100 0.201 0.000 0.632 121 G HN 0.465 nan 8.290 nan 0.000 0.511 122 F N 2.795 122.784 119.950 0.065 0.000 2.404 122 F HA 0.728 5.256 4.527 0.000 0.000 0.345 122 F C 0.139 175.962 175.800 0.038 0.000 1.110 122 F CA -0.783 57.244 58.000 0.045 0.000 1.130 122 F CB 0.929 39.948 39.000 0.031 0.000 1.129 122 F HN -0.049 nan 8.300 nan 0.000 0.500 123 K N 7.927 127.782 120.400 -0.909 0.000 2.397 123 K HA 0.408 4.728 4.320 0.000 0.000 0.253 123 K C -2.799 173.092 176.600 -1.182 0.000 0.932 123 K CA -1.922 53.844 56.287 -0.870 0.000 0.795 123 K CB 2.391 34.677 32.500 -0.357 0.000 1.159 123 K HN 0.360 nan 8.250 nan 0.000 0.424 124 P HA 0.028 nan 4.420 nan 0.000 0.276 124 P C -0.137 177.049 177.300 -0.189 0.000 1.244 124 P CA -0.189 62.671 63.100 -0.399 0.000 0.801 124 P CB 0.813 32.485 31.700 -0.048 0.000 1.006 125 D N 1.896 122.256 120.400 -0.066 0.000 2.178 125 D HA -0.192 4.448 4.640 0.000 0.000 0.202 125 D C 1.061 177.344 176.300 -0.029 0.000 0.974 125 D CA 1.262 55.236 54.000 -0.045 0.000 0.841 125 D CB -0.988 39.806 40.800 -0.010 0.000 0.953 125 D HN 0.360 nan 8.370 nan 0.000 0.478 126 N N 1.977 120.672 118.700 -0.009 0.000 2.364 126 N HA -0.130 4.610 4.740 0.000 0.000 0.183 126 N C 1.378 176.880 175.510 -0.014 0.000 1.022 126 N CA 1.514 54.562 53.050 -0.003 0.000 0.883 126 N CB -0.446 38.049 38.487 0.013 0.000 0.965 126 N HN 0.291 nan 8.380 nan 0.000 0.438 127 A N -0.475 122.326 122.820 -0.031 0.000 2.387 127 A HA 0.503 4.823 4.320 0.000 0.000 0.234 127 A C 0.970 178.529 177.584 -0.042 0.000 1.253 127 A CA -0.084 51.932 52.037 -0.034 0.000 0.894 127 A CB -0.445 18.531 19.000 -0.040 0.000 0.963 127 A HN 0.384 nan 8.150 nan 0.000 0.508 128 G N 0.416 109.189 108.800 -0.045 0.000 2.444 128 G HA2 0.482 4.442 3.960 0.000 0.000 0.268 128 G HA3 0.482 4.442 3.960 0.000 0.000 0.268 128 G C -0.256 174.634 174.900 -0.015 0.000 1.203 128 G CA -0.374 44.699 45.100 -0.044 0.000 0.835 128 G HN 0.533 nan 8.290 nan 0.000 0.543 129 Q N 1.152 120.952 119.800 -0.001 0.000 2.337 129 Q HA 0.466 4.806 4.340 0.000 0.000 0.264 129 Q C -1.495 174.535 176.000 0.050 0.000 1.007 129 Q CA -0.881 54.928 55.803 0.010 0.000 0.727 129 Q CB 2.096 30.830 28.738 -0.006 0.000 1.256 129 Q HN 0.670 nan 8.270 nan 0.000 0.467 130 H N 1.505 120.529 119.070 -0.077 0.000 3.068 130 H HA 0.084 4.640 4.556 0.000 0.000 0.342 130 H C 0.024 175.299 175.328 -0.088 0.000 1.284 130 H CA 0.384 56.369 56.048 -0.104 0.000 1.181 130 H CB 2.433 32.100 29.762 -0.159 0.000 1.898 130 H HN 0.703 nan 8.280 nan 0.000 0.540 131 S N 2.374 117.814 115.700 -0.433 0.000 2.423 131 S HA -0.023 4.447 4.470 0.000 0.000 0.231 131 S C 1.036 175.639 174.600 0.005 0.000 1.014 131 S CA 0.636 58.733 58.200 -0.172 0.000 0.965 131 S CB 0.138 63.222 63.200 -0.193 0.000 0.785 131 S HN 0.515 nan 8.310 nan 0.000 0.495 132 R N 0.293 120.932 120.500 0.231 0.000 2.652 132 R HA 0.390 4.730 4.340 0.000 0.000 0.372 132 R C 1.079 177.452 176.300 0.123 0.000 1.104 132 R CA -0.241 55.949 56.100 0.149 0.000 1.072 132 R CB -0.368 29.962 30.300 0.051 0.000 1.367 132 R HN 0.350 nan 8.270 nan 0.000 0.577 133 L N 1.372 122.672 121.223 0.128 0.000 2.089 133 L HA -0.192 4.148 4.340 0.000 0.000 0.213 133 L C 2.049 178.942 176.870 0.038 0.000 1.079 133 L CA 2.078 56.945 54.840 0.045 0.000 0.758 133 L CB -0.383 41.701 42.059 0.042 0.000 0.891 133 L HN 0.249 nan 8.230 nan 0.000 0.433 134 A N -1.685 121.167 122.820 0.054 0.000 1.933 134 A HA -0.297 4.023 4.320 0.000 0.000 0.218 134 A C 2.278 179.896 177.584 0.057 0.000 1.175 134 A CA 1.790 53.853 52.037 0.043 0.000 0.628 134 A CB -1.105 17.918 19.000 0.040 0.000 0.814 134 A HN 0.632 nan 8.150 nan 0.000 0.444 135 Y N 0.403 120.680 120.300 -0.039 0.000 2.181 135 Y HA -0.099 4.451 4.550 0.000 0.000 0.288 135 Y C 2.660 178.520 175.900 -0.067 0.000 1.146 135 Y CA 1.418 59.488 58.100 -0.050 0.000 1.164 135 Y CB -0.321 38.109 38.460 -0.049 0.000 0.982 135 Y HN 0.327 nan 8.280 nan 0.000 0.515 136 A N 0.037 122.925 122.820 0.114 0.000 1.873 136 A HA -0.240 4.080 4.320 0.000 0.000 0.215 136 A C 2.065 179.637 177.584 -0.020 0.000 1.186 136 A CA 1.877 53.929 52.037 0.024 0.000 0.616 136 A CB -0.789 18.196 19.000 -0.025 0.000 0.823 136 A HN 0.636 nan 8.150 nan 0.000 0.442 137 Q N -0.661 119.130 119.800 -0.015 0.000 2.170 137 Q HA -0.081 4.259 4.340 0.000 0.000 0.203 137 Q C 2.155 178.128 176.000 -0.044 0.000 0.976 137 Q CA 1.288 57.078 55.803 -0.020 0.000 0.858 137 Q CB -0.376 28.355 28.738 -0.011 0.000 0.907 137 Q HN 0.682 nan 8.270 nan 0.000 0.433 138 A N -0.162 122.611 122.820 -0.077 0.000 2.209 138 A HA 0.166 4.486 4.320 0.000 0.000 0.212 138 A C 1.522 179.016 177.584 -0.150 0.000 1.158 138 A CA 1.040 53.006 52.037 -0.118 0.000 0.742 138 A CB -0.336 18.567 19.000 -0.162 0.000 0.790 138 A HN 0.496 nan 8.150 nan 0.000 0.472 139 G N -2.649 106.069 108.800 -0.138 0.000 2.163 139 G HA2 0.028 3.988 3.960 0.000 0.000 0.213 139 G HA3 0.028 3.988 3.960 0.000 0.000 0.213 139 G C 0.643 175.431 174.900 -0.187 0.000 0.991 139 G CA 0.148 45.173 45.100 -0.125 0.000 0.653 139 G HN 1.302 nan 8.290 nan 0.000 0.518 140 G N -0.670 107.946 108.800 -0.306 0.000 2.547 140 G HA2 0.639 4.599 3.960 0.000 0.000 0.291 140 G HA3 0.639 4.599 3.960 0.000 0.000 0.291 140 G C -0.151 174.745 174.900 -0.006 0.000 1.211 140 G CA -0.804 44.107 45.100 -0.316 0.000 0.950 140 G HN 0.614 nan 8.290 nan 0.000 0.504 141 I N 0.193 120.828 120.570 0.109 0.000 2.362 141 I HA 0.206 4.376 4.170 0.000 0.000 0.289 141 I C -0.437 175.711 176.117 0.051 0.000 0.994 141 I CA -0.716 60.612 61.300 0.047 0.000 1.158 141 I CB 2.235 40.197 38.000 -0.063 0.000 1.315 141 I HN -0.010 nan 8.210 nan 0.000 0.451 142 V N 7.118 127.012 119.914 -0.034 0.000 2.339 142 V HA 0.176 4.296 4.120 0.000 0.000 0.261 142 V C -0.299 175.756 176.094 -0.065 0.000 1.058 142 V CA -0.278 61.908 62.300 -0.190 0.000 0.897 142 V CB 0.499 32.008 31.823 -0.524 0.000 1.052 142 V HN 0.367 nan 8.190 nan 0.000 0.480 143 F N 4.856 124.683 119.950 -0.206 0.000 2.405 143 F HA 0.491 5.018 4.527 0.000 0.000 0.355 143 F C 0.550 176.311 175.800 -0.064 0.000 1.121 143 F CA -1.408 56.512 58.000 -0.132 0.000 1.112 143 F CB 1.205 40.097 39.000 -0.180 0.000 1.126 143 F HN 0.522 nan 8.300 nan 0.000 0.481 144 E N 8.265 128.356 120.200 -0.182 0.000 2.916 144 E HA 0.194 4.544 4.350 0.000 0.000 0.217 144 E C -2.035 174.271 176.600 -0.490 0.000 1.100 144 E CA -1.659 54.520 56.400 -0.368 0.000 0.891 144 E CB 0.964 30.484 29.700 -0.299 0.000 1.311 144 E HN 0.380 nan 8.360 nan 0.000 0.421 145 P HA -0.104 nan 4.420 nan 0.000 0.220 145 P C -0.059 177.193 177.300 -0.080 0.000 1.148 145 P CA 1.102 63.996 63.100 -0.342 0.000 0.803 145 P CB -0.071 31.530 31.700 -0.165 0.000 0.782 146 F N -4.412 115.270 119.950 -0.446 0.000 2.711 146 F HA 0.578 5.105 4.527 -0.000 0.000 0.313 146 F C -1.161 174.386 175.800 -0.422 0.000 1.141 146 F CA -1.955 55.703 58.000 -0.570 0.000 0.941 146 F CB 0.313 38.718 39.000 -0.990 0.000 1.349 146 F HN -0.426 nan 8.300 nan 0.000 0.464 147 F N 2.735 122.524 119.950 -0.270 0.000 2.413 147 F HA 0.362 4.889 4.527 -0.000 0.000 0.359 147 F C 1.523 177.277 175.800 -0.077 0.000 1.122 147 F CA -0.285 57.585 58.000 -0.216 0.000 1.160 147 F CB 1.292 40.207 39.000 -0.142 0.000 1.146 147 F HN 0.616 nan 8.300 nan 0.000 0.514 148 I N 2.024 122.532 120.570 -0.103 0.000 2.567 148 I HA -0.237 3.933 4.170 0.000 0.000 0.257 148 I C 1.980 178.150 176.117 0.089 0.000 1.184 148 I CA 1.282 62.602 61.300 0.033 0.000 1.451 148 I CB 0.083 38.015 38.000 -0.114 0.000 1.089 148 I HN 0.649 nan 8.210 nan 0.000 0.441 149 S N -0.172 115.586 115.700 0.096 0.000 2.522 149 S HA -0.046 4.424 4.470 0.000 0.000 0.227 149 S C 1.038 175.681 174.600 0.072 0.000 0.986 149 S CA -0.097 58.151 58.200 0.081 0.000 0.929 149 S CB -0.512 62.742 63.200 0.091 0.000 0.769 149 S HN 0.446 nan 8.310 nan 0.000 0.529 150 N N 2.141 120.900 118.700 0.098 0.000 2.439 150 N HA 0.103 4.843 4.740 0.000 0.000 0.243 150 N C -0.419 175.128 175.510 0.062 0.000 1.088 150 N CA -0.018 53.059 53.050 0.045 0.000 0.940 150 N CB 0.781 39.270 38.487 0.004 0.000 1.180 150 N HN 0.062 nan 8.380 nan 0.000 0.505 151 D N 1.998 122.425 120.400 0.046 0.000 2.123 151 D HA -0.135 4.505 4.640 0.000 0.000 0.196 151 D C 1.242 177.579 176.300 0.062 0.000 0.992 151 D CA 1.591 55.623 54.000 0.053 0.000 0.833 151 D CB 0.057 40.880 40.800 0.038 0.000 0.954 151 D HN 0.504 nan 8.370 nan 0.000 0.455 152 T N 1.055 115.644 114.554 0.058 0.000 2.737 152 T HA -0.106 4.244 4.350 0.000 0.000 0.265 152 T C 1.286 176.060 174.700 0.122 0.000 1.038 152 T CA 1.215 63.362 62.100 0.079 0.000 1.144 152 T CB -0.225 68.687 68.868 0.073 0.000 0.866 152 T HN 0.079 nan 8.240 nan 0.000 0.434 153 D N 1.174 121.639 120.400 0.109 0.000 2.117 153 D HA -0.052 4.588 4.640 0.000 0.000 0.197 153 D C 2.048 178.384 176.300 0.061 0.000 0.987 153 D CA 0.559 54.644 54.000 0.142 0.000 0.829 153 D CB -0.533 40.147 40.800 -0.200 0.000 0.961 153 D HN 0.184 nan 8.370 nan 0.000 0.460 154 L N 1.020 122.258 121.223 0.026 0.000 2.042 154 L HA -0.094 4.246 4.340 0.000 0.000 0.210 154 L C 2.104 179.020 176.870 0.077 0.000 1.076 154 L CA 1.801 56.650 54.840 0.014 0.000 0.749 154 L CB -0.781 41.360 42.059 0.137 0.000 0.893 154 L HN -0.017 nan 8.230 nan 0.000 0.432 155 A N -0.739 122.134 122.820 0.089 0.000 1.902 155 A HA -0.189 4.131 4.320 0.000 0.000 0.217 155 A C 2.253 179.882 177.584 0.076 0.000 1.181 155 A CA 1.871 53.956 52.037 0.080 0.000 0.623 155 A CB -0.973 18.067 19.000 0.066 0.000 0.818 155 A HN 0.483 nan 8.150 nan 0.000 0.443 156 L N -1.591 119.701 121.223 0.115 0.000 2.046 156 L HA -0.074 4.266 4.340 0.000 0.000 0.208 156 L C 2.206 179.107 176.870 0.053 0.000 1.077 156 L CA 2.136 57.031 54.840 0.091 0.000 0.747 156 L CB -0.702 41.454 42.059 0.162 0.000 0.896 156 L HN 0.450 nan 8.230 nan 0.000 0.432 157 F N 0.570 120.490 119.950 -0.050 0.000 2.069 157 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 157 F C 2.335 178.078 175.800 -0.095 0.000 1.113 157 F CA 2.117 60.021 58.000 -0.161 0.000 1.214 157 F CB -0.278 38.370 39.000 -0.587 0.000 0.978 157 F HN 0.011 nan 8.300 nan 0.000 0.474 158 K N -0.671 119.714 120.400 -0.024 0.000 2.097 158 K HA -0.155 4.165 4.320 0.000 0.000 0.206 158 K C 1.945 178.474 176.600 -0.118 0.000 1.049 158 K CA 1.945 58.191 56.287 -0.070 0.000 0.933 158 K CB -0.550 31.994 32.500 0.073 0.000 0.717 158 K HN 0.501 nan 8.250 nan 0.000 0.442 159 T N -2.605 111.901 114.554 -0.079 0.000 3.081 159 T HA -0.021 4.329 4.350 0.000 0.000 0.255 159 T C 1.537 176.194 174.700 -0.072 0.000 1.113 159 T CA 1.074 63.145 62.100 -0.050 0.000 1.082 159 T CB 0.071 68.926 68.868 -0.022 0.000 0.939 159 T HN 0.232 nan 8.240 nan 0.000 0.506 160 T N -2.122 112.341 114.554 -0.152 0.000 3.209 160 T HA 0.363 4.713 4.350 0.000 0.000 0.295 160 T C 1.327 175.890 174.700 -0.228 0.000 0.977 160 T CA -0.263 61.752 62.100 -0.141 0.000 0.922 160 T CB 0.267 69.051 68.868 -0.139 0.000 1.152 160 T HN 0.311 nan 8.240 nan 0.000 0.527 161 K N 0.632 120.763 120.400 -0.447 0.000 2.052 161 K HA -0.205 4.115 4.320 0.000 0.000 0.215 161 K C 1.405 177.765 176.600 -0.400 0.000 1.053 161 K CA 2.238 58.078 56.287 -0.744 0.000 0.934 161 K CB -0.335 31.596 32.500 -0.947 0.000 0.717 161 K HN 0.533 nan 8.250 nan 0.000 0.450 162 W N 0.015 121.192 121.300 -0.205 0.000 2.363 162 W HA -0.000 4.660 4.660 -0.000 0.000 0.296 162 W C 2.399 178.874 176.519 -0.072 0.000 1.212 162 W CA 1.296 58.575 57.345 -0.109 0.000 1.260 162 W CB -0.769 28.641 29.460 -0.084 0.000 1.131 162 W HN 0.333 nan 8.180 nan 0.000 0.530 163 G N 0.135 109.004 108.800 0.115 0.000 2.403 163 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 163 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 163 G C 1.440 176.357 174.900 0.028 0.000 1.154 163 G CA 0.987 46.124 45.100 0.061 0.000 0.784 163 G HN 0.204 nan 8.290 nan 0.000 0.538 164 I N 0.419 120.976 120.570 -0.021 0.000 2.179 164 I HA -0.196 3.974 4.170 0.000 0.000 0.242 164 I C 2.756 178.923 176.117 0.083 0.000 1.088 164 I CA 0.680 61.993 61.300 0.022 0.000 1.357 164 I CB -0.283 37.733 38.000 0.027 0.000 1.051 164 I HN 0.176 nan 8.210 nan 0.000 0.409 165 C N 0.177 119.491 119.300 0.023 0.000 2.425 165 C HA -0.141 4.319 4.460 0.000 0.000 0.277 165 C C 2.945 177.984 174.990 0.082 0.000 1.280 165 C CA 0.736 59.767 59.018 0.023 0.000 1.744 165 C CB -1.192 26.470 27.740 -0.130 0.000 1.989 165 C HN 0.453 nan 8.230 nan 0.000 0.491 166 R N 1.216 121.774 120.500 0.097 0.000 2.081 166 R HA -0.132 4.208 4.340 0.000 0.000 0.235 166 R C 2.251 178.632 176.300 0.135 0.000 1.131 166 R CA 1.739 57.919 56.100 0.133 0.000 0.960 166 R CB -0.411 29.971 30.300 0.137 0.000 0.856 166 R HN 0.477 nan 8.270 nan 0.000 0.436 167 A N 1.075 123.966 122.820 0.118 0.000 1.908 167 A HA -0.169 4.151 4.320 0.000 0.000 0.218 167 A C 2.142 179.816 177.584 0.149 0.000 1.181 167 A CA 1.567 53.676 52.037 0.121 0.000 0.627 167 A CB -0.520 18.542 19.000 0.103 0.000 0.818 167 A HN 0.378 nan 8.150 nan 0.000 0.445 168 I N -0.375 120.306 120.570 0.185 0.000 2.179 168 I HA -0.284 3.886 4.170 0.000 0.000 0.242 168 I C 3.011 179.236 176.117 0.179 0.000 1.088 168 I CA 1.111 62.550 61.300 0.231 0.000 1.357 168 I CB -0.402 37.805 38.000 0.345 0.000 1.051 168 I HN 0.360 nan 8.210 nan 0.000 0.409 169 A N 0.528 123.441 122.820 0.156 0.000 1.883 169 A HA -0.254 4.066 4.320 0.000 0.000 0.217 169 A C 1.982 179.592 177.584 0.044 0.000 1.186 169 A CA 2.199 54.304 52.037 0.113 0.000 0.624 169 A CB -0.673 18.420 19.000 0.154 0.000 0.822 169 A HN 0.360 nan 8.150 nan 0.000 0.444 170 D N -0.042 120.428 120.400 0.115 0.000 2.144 170 D HA -0.044 4.596 4.640 0.000 0.000 0.199 170 D C 2.217 178.543 176.300 0.044 0.000 0.984 170 D CA 1.478 55.546 54.000 0.114 0.000 0.834 170 D CB -0.420 40.489 40.800 0.182 0.000 0.955 170 D HN 0.432 nan 8.370 nan 0.000 0.465 171 A N 0.669 123.536 122.820 0.077 0.000 1.898 171 A HA -0.121 4.199 4.320 0.000 0.000 0.216 171 A C 2.376 180.016 177.584 0.094 0.000 1.181 171 A CA 0.778 52.860 52.037 0.075 0.000 0.620 171 A CB -0.667 18.397 19.000 0.105 0.000 0.819 171 A HN 0.178 nan 8.150 nan 0.000 0.442 172 I N -0.009 120.643 120.570 0.136 0.000 2.163 172 I HA -0.199 3.971 4.170 0.000 0.000 0.243 172 I C 1.970 178.149 176.117 0.103 0.000 1.085 172 I CA 0.571 62.014 61.300 0.237 0.000 1.347 172 I CB -0.520 37.548 38.000 0.113 0.000 1.044 172 I HN 0.377 nan 8.210 nan 0.000 0.408 176 L N 0.563 121.815 121.223 0.049 0.000 2.551 176 L HA 0.289 4.629 4.340 0.000 0.000 0.228 176 L C 1.441 178.333 176.870 0.036 0.000 1.153 176 L CA 0.918 55.814 54.840 0.092 0.000 0.851 176 L CB -0.102 42.035 42.059 0.129 0.000 0.959 176 L HN 0.478 nan 8.230 nan 0.000 0.451 177 G N 0.020 108.827 108.800 0.012 0.000 2.143 177 G HA2 -0.267 3.693 3.960 0.000 0.000 0.248 177 G HA3 -0.267 3.693 3.960 0.000 0.000 0.248 177 G C 0.295 175.223 174.900 0.047 0.000 0.991 177 G CA 0.040 45.152 45.100 0.020 0.000 0.689 177 G HN 0.505 nan 8.290 nan 0.000 0.522 178 A N -0.077 122.774 122.820 0.052 0.000 2.309 178 A HA 0.885 5.205 4.320 0.000 0.000 0.290 178 A C 0.726 178.442 177.584 0.221 0.000 1.206 178 A CA 0.854 52.955 52.037 0.107 0.000 0.850 178 A CB 0.701 19.741 19.000 0.067 0.000 1.118 178 A HN 2.016 nan 8.150 nan 0.000 0.523 179 A N 3.261 126.212 122.820 0.218 0.000 2.293 179 A HA 0.563 4.883 4.320 0.000 0.000 0.302 179 A C 0.394 178.106 177.584 0.213 0.000 1.119 179 A CA -0.622 51.547 52.037 0.219 0.000 0.823 179 A CB 0.335 19.398 19.000 0.105 0.000 1.097 179 A HN 0.825 nan 8.150 nan 0.000 0.491 180 K N 0.123 120.532 120.400 0.015 0.000 2.380 180 K HA 0.313 4.633 4.320 0.000 0.000 0.267 180 K C 0.360 176.890 176.600 -0.117 0.000 0.990 180 K CA -0.054 56.049 56.287 -0.307 0.000 0.946 180 K CB 0.600 32.854 32.500 -0.410 0.000 0.937 180 K HN 0.608 nan 8.250 nan 0.000 0.491 181 V N 0.000 119.840 119.914 -0.123 0.000 2.409 181 V HA 0.000 4.120 4.120 0.000 0.000 0.244 181 V CA 0.000 62.269 62.300 -0.051 0.000 1.235 181 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 181 V HN 0.000 nan 8.190 nan 0.000 0.556