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 1xqb_1_B DATA FIRST_RESID 2 DATA SEQUENCE NDLTLSPIAI IHTPYKEKFS VPRQPNLVED GVGIVELLPP YNSPEAVRGL DATA SEQUENCE EQFSHLWLIF QXXXXXXXXX XXXXXXXXXX XXXXVGVFAS RATHRPNPLG DATA SEQUENCE XSKVELRQVE CINGNIFLHL GAVDLVDGTP IFDIKPYIAY ADSEPNAQSS DATA SEQUENCE XXXXXXXVKM TVEFTEQAKS AVKKREEKRP HLSRFIRQVL EXXXXXXXXX DATA SEQUENCE XXXXDRIYGM SLYEFNVKWX XXAGTVNCVE 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.493 175.510 -0.029 0.000 1.280 2 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 2 N CB 0.000 38.475 38.487 -0.019 0.000 1.341 3 D N 0.507 120.891 120.400 -0.028 0.000 2.223 3 D HA 0.416 5.054 4.640 -0.003 0.000 0.250 3 D C -0.165 176.110 176.300 -0.042 0.000 1.287 3 D CA 0.476 54.455 54.000 -0.035 0.000 0.977 3 D CB 0.429 41.212 40.800 -0.030 0.000 1.177 3 D HN 0.323 nan 8.370 nan 0.000 0.536 4 L N -0.929 120.262 121.223 -0.053 0.000 2.611 4 L HA 0.226 4.564 4.340 -0.003 0.000 0.260 4 L C -1.260 175.565 176.870 -0.075 0.000 0.924 4 L CA -0.174 54.628 54.840 -0.063 0.000 0.901 4 L CB 2.134 44.145 42.059 -0.079 0.000 1.369 4 L HN 0.165 nan 8.230 nan 0.000 0.415 5 T N 5.665 120.183 114.554 -0.060 0.000 2.749 5 T HA 0.608 4.956 4.350 -0.003 0.000 0.287 5 T C -0.269 174.390 174.700 -0.069 0.000 0.970 5 T CA -0.252 61.814 62.100 -0.056 0.000 0.980 5 T CB 0.474 69.330 68.868 -0.020 0.000 0.924 5 T HN 0.415 nan 8.240 nan 0.000 0.456 6 L N 3.323 124.473 121.223 -0.123 0.000 2.334 6 L HA 0.558 4.897 4.340 -0.003 0.000 0.277 6 L C 0.558 177.444 176.870 0.026 0.000 1.075 6 L CA -0.774 53.976 54.840 -0.149 0.000 0.804 6 L CB 1.255 43.002 42.059 -0.519 0.000 1.174 6 L HN 0.630 nan 8.230 nan 0.000 0.438 7 S N 1.728 117.488 115.700 0.099 0.000 2.449 7 S HA 0.581 5.049 4.470 -0.003 0.000 0.310 7 S C -2.612 172.126 174.600 0.230 0.000 1.096 7 S CA -1.728 56.580 58.200 0.180 0.000 1.095 7 S CB 1.297 64.607 63.200 0.182 0.000 1.007 7 S HN 0.313 nan 8.310 nan 0.000 0.474 8 P HA 0.192 nan 4.420 nan 0.000 0.267 8 P C 0.643 177.975 177.300 0.053 0.000 1.209 8 P CA -0.413 62.753 63.100 0.110 0.000 0.763 8 P CB 0.214 31.934 31.700 0.033 0.000 0.816 9 I N 0.493 121.012 120.570 -0.084 0.000 3.783 9 I HA 0.528 4.697 4.170 -0.003 0.000 0.310 9 I C 0.584 176.700 176.117 -0.002 0.000 1.274 9 I CA 0.068 61.247 61.300 -0.202 0.000 1.294 9 I CB 0.218 37.947 38.000 -0.453 0.000 1.051 9 I HN 0.189 nan 8.210 nan 0.000 0.435 10 A N 0.966 123.764 122.820 -0.037 0.000 2.586 10 A HA 0.800 5.118 4.320 -0.003 0.000 0.290 10 A C -1.371 176.159 177.584 -0.090 0.000 1.086 10 A CA -0.569 51.441 52.037 -0.046 0.000 0.665 10 A CB 1.127 20.092 19.000 -0.057 0.000 1.279 10 A HN 0.160 nan 8.150 nan 0.000 0.423 11 I N 0.681 121.177 120.570 -0.124 0.000 2.608 11 I HA 0.505 4.673 4.170 -0.003 0.000 0.295 11 I C -0.843 175.076 176.117 -0.330 0.000 1.049 11 I CA -0.558 60.637 61.300 -0.175 0.000 1.063 11 I CB 2.051 39.984 38.000 -0.113 0.000 1.248 11 I HN 0.645 nan 8.210 nan 0.000 0.424 12 I N 5.046 125.449 120.570 -0.279 0.000 2.354 12 I HA 0.325 4.494 4.170 -0.003 0.000 0.292 12 I C -0.760 175.206 176.117 -0.251 0.000 0.989 12 I CA -0.462 60.663 61.300 -0.293 0.000 1.188 12 I CB 0.550 38.451 38.000 -0.164 0.000 1.342 12 I HN 0.520 nan 8.210 nan 0.000 0.457 13 H N 5.622 124.682 119.070 -0.018 0.000 2.552 13 H HA 0.473 5.028 4.556 -0.003 0.000 0.311 13 H C -0.709 174.585 175.328 -0.055 0.000 1.071 13 H CA -0.472 55.561 56.048 -0.025 0.000 1.307 13 H CB 1.202 30.953 29.762 -0.018 0.000 1.416 13 H HN 0.482 nan 8.280 nan 0.000 0.464 14 T N 4.125 118.702 114.554 0.038 0.000 2.916 14 T HA 0.174 4.522 4.350 -0.003 0.000 0.305 14 T C -1.789 172.775 174.700 -0.226 0.000 1.119 14 T CA -1.262 60.782 62.100 -0.094 0.000 1.008 14 T CB 2.484 71.325 68.868 -0.046 0.000 1.129 14 T HN 0.193 nan 8.240 nan 0.000 0.480 15 P HA -0.057 nan 4.420 nan 0.000 0.215 15 P C -0.233 176.768 177.300 -0.499 0.000 1.153 15 P CA 1.100 63.671 63.100 -0.881 0.000 0.853 15 P CB -0.146 30.867 31.700 -1.146 0.000 0.788 16 Y N -0.085 120.170 120.300 -0.075 0.000 2.637 16 Y HA 0.058 4.606 4.550 -0.003 0.000 0.350 16 Y C 1.737 177.630 175.900 -0.011 0.000 1.069 16 Y CA -0.559 57.523 58.100 -0.031 0.000 1.397 16 Y CB -0.040 38.406 38.460 -0.023 0.000 1.163 16 Y HN -0.178 nan 8.280 nan 0.000 0.527 17 K N 2.691 123.169 120.400 0.129 0.000 2.167 17 K HA -0.049 4.269 4.320 -0.003 0.000 0.203 17 K C 0.448 177.117 176.600 0.115 0.000 1.052 17 K CA 0.814 57.162 56.287 0.101 0.000 0.956 17 K CB 0.176 32.729 32.500 0.089 0.000 0.735 17 K HN 0.846 nan 8.250 nan 0.000 0.451 18 E N -0.921 119.364 120.200 0.141 0.000 2.423 18 E HA 0.276 4.625 4.350 -0.003 0.000 0.269 18 E C 0.100 176.782 176.600 0.137 0.000 0.948 18 E CA -0.782 55.699 56.400 0.135 0.000 0.802 18 E CB 1.238 31.029 29.700 0.152 0.000 1.339 18 E HN -0.309 nan 8.360 nan 0.000 0.445 19 K N 0.199 120.674 120.400 0.125 0.000 2.103 19 K HA -0.107 4.211 4.320 -0.003 0.000 0.207 19 K C 1.727 178.413 176.600 0.142 0.000 1.048 19 K CA 1.549 57.898 56.287 0.104 0.000 0.930 19 K CB -0.305 32.251 32.500 0.093 0.000 0.716 19 K HN 0.473 nan 8.250 nan 0.000 0.444 20 F N 1.881 121.837 119.950 0.010 0.000 2.269 20 F HA -0.202 4.324 4.527 -0.003 0.000 0.301 20 F C 1.895 177.695 175.800 0.001 0.000 1.082 20 F CA 0.723 58.729 58.000 0.011 0.000 1.360 20 F CB 0.220 39.246 39.000 0.045 0.000 1.041 20 F HN -0.055 nan 8.300 nan 0.000 0.512 21 S N -0.557 115.163 115.700 0.034 0.000 2.489 21 S HA 0.013 4.482 4.470 -0.003 0.000 0.228 21 S C 0.570 175.025 174.600 -0.243 0.000 0.995 21 S CA 0.069 58.244 58.200 -0.041 0.000 0.934 21 S CB -0.071 63.224 63.200 0.158 0.000 0.771 21 S HN -0.036 nan 8.310 nan 0.000 0.522 22 V N 4.360 124.052 119.914 -0.370 0.000 2.455 22 V HA 0.212 4.331 4.120 -0.003 0.000 0.273 22 V C -2.254 173.562 176.094 -0.463 0.000 1.045 22 V CA -1.842 60.033 62.300 -0.708 0.000 0.976 22 V CB 0.471 32.004 31.823 -0.483 0.000 0.993 22 V HN 0.138 nan 8.190 nan 0.000 0.475 23 P HA 0.297 nan 4.420 nan 0.000 0.275 23 P C 0.391 177.568 177.300 -0.205 0.000 1.228 23 P CA -0.446 62.484 63.100 -0.283 0.000 0.786 23 P CB 0.569 32.134 31.700 -0.226 0.000 0.927 24 R N 1.078 121.493 120.500 -0.142 0.000 2.316 24 R HA -0.036 4.302 4.340 -0.003 0.000 0.202 24 R C 0.344 176.600 176.300 -0.074 0.000 1.029 24 R CA 0.858 56.904 56.100 -0.091 0.000 1.018 24 R CB -0.189 30.073 30.300 -0.063 0.000 0.888 24 R HN 0.576 nan 8.270 nan 0.000 0.471 25 Q N -0.439 119.311 119.800 -0.084 0.000 3.300 25 Q HA 0.176 4.514 4.340 -0.003 0.000 0.271 25 Q C -2.318 173.651 176.000 -0.052 0.000 0.926 25 Q CA -1.545 54.224 55.803 -0.058 0.000 0.788 25 Q CB 1.853 30.562 28.738 -0.048 0.000 1.385 25 Q HN -0.038 nan 8.270 nan 0.000 0.424 26 P HA -0.161 nan 4.420 nan 0.000 0.219 26 P C 0.461 177.774 177.300 0.020 0.000 1.146 26 P CA 1.275 64.367 63.100 -0.014 0.000 0.808 26 P CB 0.246 31.932 31.700 -0.022 0.000 0.779 27 N N -0.962 117.737 118.700 -0.002 0.000 2.453 27 N HA -0.044 4.695 4.740 -0.003 0.000 0.183 27 N C 1.441 176.954 175.510 0.006 0.000 1.041 27 N CA 0.418 53.469 53.050 0.001 0.000 0.900 27 N CB -0.293 38.183 38.487 -0.018 0.000 0.961 27 N HN 0.190 nan 8.380 nan 0.000 0.443 28 L N 0.619 121.843 121.223 0.002 0.000 2.068 28 L HA 0.023 4.361 4.340 -0.003 0.000 0.204 28 L C 0.649 177.534 176.870 0.024 0.000 1.076 28 L CA 0.408 55.250 54.840 0.002 0.000 0.753 28 L CB -0.286 41.764 42.059 -0.015 0.000 0.910 28 L HN -0.072 nan 8.230 nan 0.000 0.439 29 V N 2.452 122.396 119.914 0.050 0.000 2.393 29 V HA -0.081 4.037 4.120 -0.003 0.000 0.257 29 V C 1.460 177.631 176.094 0.129 0.000 1.040 29 V CA 0.271 62.639 62.300 0.112 0.000 1.097 29 V CB -0.171 31.759 31.823 0.179 0.000 1.101 29 V HN 0.488 nan 8.190 nan 0.000 0.479 30 E N 1.477 121.729 120.200 0.086 0.000 2.511 30 E HA -0.119 4.229 4.350 -0.003 0.000 0.196 30 E C 0.273 176.889 176.600 0.027 0.000 1.066 30 E CA 0.539 56.963 56.400 0.040 0.000 0.871 30 E CB 0.194 29.890 29.700 -0.006 0.000 0.863 30 E HN 0.667 nan 8.360 nan 0.000 0.520 31 D N 0.748 121.206 120.400 0.097 0.000 2.417 31 D HA 0.055 4.694 4.640 -0.003 0.000 0.207 31 D C 0.999 177.172 176.300 -0.212 0.000 1.075 31 D CA 0.412 54.383 54.000 -0.048 0.000 0.851 31 D CB 0.475 41.267 40.800 -0.014 0.000 0.976 31 D HN 0.278 nan 8.370 nan 0.000 0.505 32 G N 1.585 110.439 108.800 0.090 0.000 3.090 32 G HA2 0.266 4.225 3.960 -0.003 0.000 0.259 32 G HA3 0.266 4.225 3.960 -0.003 0.000 0.259 32 G C 0.481 175.355 174.900 -0.044 0.000 0.797 32 G CA -0.109 45.013 45.100 0.036 0.000 2.032 32 G HN -0.051 nan 8.290 nan 0.000 0.614 33 V N -0.008 119.828 119.914 -0.129 0.000 3.036 33 V HA 0.852 4.971 4.120 -0.003 0.000 0.308 33 V C 0.956 177.005 176.094 -0.075 0.000 1.070 33 V CA -0.047 62.214 62.300 -0.065 0.000 1.056 33 V CB 1.591 33.386 31.823 -0.046 0.000 1.084 33 V HN 0.505 nan 8.190 nan 0.000 0.471 34 G N 1.276 110.057 108.800 -0.032 0.000 2.672 34 G HA2 0.762 4.721 3.960 -0.003 0.000 0.292 34 G HA3 0.762 4.721 3.960 -0.003 0.000 0.292 34 G C -1.555 173.327 174.900 -0.030 0.000 1.375 34 G CA -0.652 44.429 45.100 -0.031 0.000 0.890 34 G HN 0.545 nan 8.290 nan 0.000 0.476 35 I N 0.569 121.121 120.570 -0.031 0.000 2.498 35 I HA 0.356 4.524 4.170 -0.003 0.000 0.290 35 I C -0.581 175.503 176.117 -0.055 0.000 1.032 35 I CA -1.064 60.194 61.300 -0.069 0.000 1.073 35 I CB 2.377 40.328 38.000 -0.081 0.000 1.251 35 I HN 0.072 nan 8.210 nan 0.000 0.426 36 V N 5.609 125.498 119.914 -0.041 0.000 2.370 36 V HA 0.232 4.350 4.120 -0.003 0.000 0.279 36 V C 0.017 176.082 176.094 -0.049 0.000 1.029 36 V CA -0.413 61.836 62.300 -0.085 0.000 0.870 36 V CB 1.558 33.353 31.823 -0.046 0.000 0.984 36 V HN 0.708 nan 8.190 nan 0.000 0.451 37 E N 4.856 124.982 120.200 -0.124 0.000 2.113 37 E HA 0.435 4.783 4.350 -0.003 0.000 0.273 37 E C -0.982 175.548 176.600 -0.117 0.000 0.924 37 E CA -0.667 55.670 56.400 -0.105 0.000 0.764 37 E CB 1.199 30.949 29.700 0.083 0.000 1.104 37 E HN 0.594 nan 8.360 nan 0.000 0.406 38 L N 5.695 126.835 121.223 -0.139 0.000 2.360 38 L HA 0.213 4.551 4.340 -0.003 0.000 0.276 38 L C -0.182 176.680 176.870 -0.014 0.000 1.121 38 L CA -0.114 54.697 54.840 -0.048 0.000 0.845 38 L CB 0.445 42.488 42.059 -0.027 0.000 1.143 38 L HN 0.478 nan 8.230 nan 0.000 0.452 39 L N 4.918 126.190 121.223 0.081 0.000 2.421 39 L HA 0.475 4.814 4.340 -0.003 0.000 0.263 39 L C -2.211 174.714 176.870 0.091 0.000 1.122 39 L CA -2.195 52.701 54.840 0.093 0.000 0.804 39 L CB 0.286 42.425 42.059 0.133 0.000 1.150 39 L HN 0.340 nan 8.230 nan 0.000 0.457 40 P HA 0.123 nan 4.420 nan 0.000 0.271 40 P C -2.298 174.779 177.300 -0.372 0.000 1.216 40 P CA -0.728 62.285 63.100 -0.146 0.000 0.776 40 P CB 0.154 31.800 31.700 -0.091 0.000 0.881 41 P HA 0.240 nan 4.420 nan 0.000 0.250 41 P C -0.410 176.668 177.300 -0.370 0.000 1.808 41 P CA -0.028 62.830 63.100 -0.404 0.000 1.117 41 P CB -0.117 31.397 31.700 -0.309 0.000 1.602 42 Y N -0.096 120.201 120.300 -0.005 0.000 2.500 42 Y HA 0.043 4.591 4.550 -0.003 0.000 0.270 42 Y C 1.511 177.400 175.900 -0.018 0.000 1.134 42 Y CA -0.332 57.765 58.100 -0.004 0.000 1.293 42 Y CB -0.516 37.946 38.460 0.003 0.000 1.063 42 Y HN 0.055 nan 8.280 nan 0.000 0.534 43 N N 1.278 120.018 118.700 0.067 0.000 2.906 43 N HA -0.042 4.696 4.740 -0.003 0.000 0.282 43 N C -0.445 175.061 175.510 -0.008 0.000 1.293 43 N CA 0.212 53.265 53.050 0.005 0.000 1.059 43 N CB -0.602 37.854 38.487 -0.052 0.000 1.388 43 N HN 0.176 nan 8.380 nan 0.000 0.533 44 S N -1.501 114.210 115.700 0.019 0.000 2.525 44 S HA 0.478 4.947 4.470 -0.003 0.000 0.290 44 S C -1.953 172.661 174.600 0.023 0.000 1.152 44 S CA -1.295 56.913 58.200 0.013 0.000 1.072 44 S CB 2.308 65.518 63.200 0.017 0.000 1.027 44 S HN -0.121 nan 8.310 nan 0.000 0.500 45 P HA -0.049 nan 4.420 nan 0.000 0.222 45 P C 0.774 178.094 177.300 0.034 0.000 1.147 45 P CA 0.984 64.100 63.100 0.027 0.000 0.790 45 P CB 0.068 31.782 31.700 0.024 0.000 0.780 46 E N -0.228 119.992 120.200 0.033 0.000 2.107 46 E HA -0.068 4.280 4.350 -0.003 0.000 0.191 46 E C 2.068 178.696 176.600 0.047 0.000 0.982 46 E CA 1.048 57.470 56.400 0.037 0.000 0.809 46 E CB -0.634 29.085 29.700 0.032 0.000 0.756 46 E HN 0.146 nan 8.360 nan 0.000 0.459 47 A N 0.954 123.805 122.820 0.052 0.000 2.125 47 A HA -0.087 4.232 4.320 -0.003 0.000 0.219 47 A C 2.068 179.691 177.584 0.064 0.000 1.156 47 A CA 1.365 53.440 52.037 0.064 0.000 0.671 47 A CB -0.259 18.790 19.000 0.081 0.000 0.794 47 A HN 0.235 nan 8.150 nan 0.000 0.459 48 V N -3.742 116.209 119.914 0.061 0.000 3.253 48 V HA 0.334 4.453 4.120 -0.003 0.000 0.320 48 V C 0.540 176.679 176.094 0.075 0.000 1.442 48 V CA -0.189 62.153 62.300 0.070 0.000 1.097 48 V CB -0.843 31.018 31.823 0.063 0.000 1.008 48 V HN 0.413 nan 8.190 nan 0.000 0.463 49 R N 1.862 122.402 120.500 0.066 0.000 2.483 49 R HA 0.362 4.700 4.340 -0.003 0.000 0.329 49 R C 1.337 177.681 176.300 0.074 0.000 0.961 49 R CA 1.396 57.532 56.100 0.060 0.000 1.041 49 R CB -0.382 29.948 30.300 0.049 0.000 0.930 49 R HN 1.043 nan 8.270 nan 0.000 0.413 50 G N 3.768 112.607 108.800 0.065 0.000 2.157 50 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.248 50 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.248 50 G C 0.586 175.555 174.900 0.114 0.000 0.979 50 G CA 0.130 45.267 45.100 0.062 0.000 0.650 50 G HN 0.621 nan 8.290 nan 0.000 0.529 51 L N 0.401 121.709 121.223 0.143 0.000 2.131 51 L HA -0.062 4.277 4.340 -0.003 0.000 0.210 51 L C 2.679 179.661 176.870 0.186 0.000 1.092 51 L CA 2.545 57.511 54.840 0.210 0.000 0.759 51 L CB -0.193 41.955 42.059 0.148 0.000 0.903 51 L HN 0.551 nan 8.230 nan 0.000 0.435 52 E N -0.891 119.367 120.200 0.095 0.000 2.463 52 E HA -0.214 4.134 4.350 -0.003 0.000 0.201 52 E C 1.863 178.465 176.600 0.002 0.000 1.045 52 E CA 0.449 56.879 56.400 0.051 0.000 0.872 52 E CB -0.288 29.429 29.700 0.028 0.000 0.797 52 E HN 0.452 nan 8.360 nan 0.000 0.538 53 Q N 0.148 119.918 119.800 -0.050 0.000 2.016 53 Q HA -0.004 4.335 4.340 -0.003 0.000 0.200 53 Q C 0.385 176.220 176.000 -0.275 0.000 0.978 53 Q CA 0.902 56.555 55.803 -0.251 0.000 0.833 53 Q CB -0.356 28.065 28.738 -0.527 0.000 0.895 53 Q HN 0.373 nan 8.270 nan 0.000 0.427 54 F N 0.698 120.672 119.950 0.039 0.000 2.410 54 F HA 0.011 4.536 4.527 -0.003 0.000 0.334 54 F C 1.778 177.583 175.800 0.009 0.000 1.134 54 F CA 0.104 58.134 58.000 0.051 0.000 1.227 54 F CB 0.630 39.681 39.000 0.085 0.000 1.194 54 F HN -0.025 nan 8.300 nan 0.000 0.571 55 S N -0.516 115.287 115.700 0.173 0.000 2.486 55 S HA 0.116 4.584 4.470 -0.003 0.000 0.220 55 S C 0.259 174.694 174.600 -0.275 0.000 1.011 55 S CA 0.183 58.351 58.200 -0.054 0.000 0.921 55 S CB -0.258 62.898 63.200 -0.073 0.000 0.785 55 S HN 0.589 nan 8.310 nan 0.000 0.517 56 H N -0.172 118.938 119.070 0.067 0.000 2.679 56 H HA 0.725 5.279 4.556 -0.003 0.000 0.367 56 H C -1.370 173.958 175.328 0.001 0.000 1.162 56 H CA -0.694 55.322 56.048 -0.054 0.000 1.181 56 H CB 1.761 31.362 29.762 -0.269 0.000 1.693 56 H HN 0.128 nan 8.280 nan 0.000 0.538 57 L N 0.767 122.021 121.223 0.052 0.000 2.327 57 L HA 0.371 4.709 4.340 -0.003 0.000 0.258 57 L C -1.170 175.720 176.870 0.033 0.000 1.024 57 L CA -0.563 54.316 54.840 0.064 0.000 0.825 57 L CB 1.918 44.023 42.059 0.076 0.000 1.386 57 L HN 0.571 nan 8.230 nan 0.000 0.417 58 W N 2.584 123.968 121.300 0.140 0.000 2.587 58 W HA 0.718 5.377 4.660 -0.003 0.000 0.324 58 W C -1.022 175.564 176.519 0.111 0.000 1.040 58 W CA -0.406 57.024 57.345 0.142 0.000 1.222 58 W CB 1.506 31.032 29.460 0.110 0.000 1.381 58 W HN 0.093 nan 8.180 nan 0.000 0.483 59 L N 5.631 127.136 121.223 0.470 0.000 2.325 59 L HA 0.517 4.855 4.340 -0.003 0.000 0.281 59 L C -0.406 176.710 176.870 0.411 0.000 1.004 59 L CA -0.917 54.125 54.840 0.337 0.000 0.823 59 L CB 1.273 43.477 42.059 0.242 0.000 1.236 59 L HN 0.331 nan 8.230 nan 0.000 0.415 60 I N 4.519 125.262 120.570 0.289 0.000 2.306 60 I HA 0.272 4.440 4.170 -0.003 0.000 0.288 60 I C -0.050 176.233 176.117 0.278 0.000 1.036 60 I CA -0.324 61.109 61.300 0.222 0.000 1.221 60 I CB 0.340 38.412 38.000 0.121 0.000 1.385 60 I HN 0.429 nan 8.210 nan 0.000 0.472 61 F N 4.317 124.338 119.950 0.118 0.000 2.629 61 F HA 0.659 5.184 4.527 -0.003 0.000 0.386 61 F C 0.024 175.865 175.800 0.069 0.000 1.135 61 F CA -0.951 57.035 58.000 -0.023 0.000 1.116 61 F CB 0.592 39.565 39.000 -0.044 0.000 1.426 61 F HN 0.284 nan 8.300 nan 0.000 0.501 87 G N -0.326 108.468 108.800 -0.010 0.000 2.527 87 G HA2 0.484 4.442 3.960 -0.003 0.000 0.248 87 G HA3 0.484 4.442 3.960 -0.003 0.000 0.248 87 G C 0.887 175.735 174.900 -0.087 0.000 1.231 87 G CA 0.145 45.220 45.100 -0.042 0.000 0.838 87 G HN 1.482 nan 8.290 nan 0.000 0.570 88 V N 1.297 121.075 119.914 -0.227 0.000 2.231 88 V HA -0.254 3.864 4.120 -0.003 0.000 0.248 88 V C 2.421 178.390 176.094 -0.208 0.000 1.054 88 V CA 1.929 64.044 62.300 -0.308 0.000 1.015 88 V CB -1.150 30.313 31.823 -0.601 0.000 0.638 88 V HN 0.689 nan 8.190 nan 0.000 0.444 89 F N 0.818 120.767 119.950 -0.001 0.000 2.408 89 F HA -0.007 4.519 4.527 -0.002 0.000 0.300 89 F C 2.325 178.122 175.800 -0.005 0.000 1.090 89 F CA 0.695 58.690 58.000 -0.008 0.000 1.427 89 F CB -0.426 38.567 39.000 -0.011 0.000 1.070 89 F HN 0.153 nan 8.300 nan 0.000 0.549 90 A N -0.549 122.352 122.820 0.136 0.000 2.218 90 A HA 0.139 4.457 4.320 -0.003 0.000 0.209 90 A C 1.209 178.825 177.584 0.053 0.000 1.168 90 A CA 0.648 52.735 52.037 0.084 0.000 0.804 90 A CB -0.440 18.596 19.000 0.059 0.000 0.834 90 A HN 0.310 nan 8.150 nan 0.000 0.482 91 S N -2.058 113.667 115.700 0.042 0.000 2.874 91 S HA 0.644 5.113 4.470 -0.003 0.000 0.318 91 S C 0.159 174.779 174.600 0.033 0.000 1.109 91 S CA -0.770 57.447 58.200 0.028 0.000 0.878 91 S CB 0.866 64.070 63.200 0.006 0.000 1.307 91 S HN 0.055 nan 8.310 nan 0.000 0.592 92 R N 0.259 120.774 120.500 0.025 0.000 2.577 92 R HA 0.471 4.810 4.340 -0.003 0.000 0.344 92 R C 0.628 176.934 176.300 0.009 0.000 1.037 92 R CA 0.020 56.139 56.100 0.031 0.000 1.102 92 R CB -0.078 30.251 30.300 0.050 0.000 1.313 92 R HN 0.790 nan 8.270 nan 0.000 0.561 93 A N 0.567 123.377 122.820 -0.017 0.000 2.521 93 A HA 0.026 4.344 4.320 -0.003 0.000 0.237 93 A C 1.504 179.044 177.584 -0.073 0.000 1.087 93 A CA 0.819 52.821 52.037 -0.058 0.000 0.777 93 A CB 0.279 19.240 19.000 -0.065 0.000 1.035 93 A HN 0.380 nan 8.150 nan 0.000 0.510 94 T N -1.982 112.479 114.554 -0.154 0.000 3.031 94 T HA 0.031 4.379 4.350 -0.003 0.000 0.254 94 T C 0.621 175.277 174.700 -0.074 0.000 1.060 94 T CA 0.875 62.900 62.100 -0.126 0.000 1.135 94 T CB -0.356 68.427 68.868 -0.142 0.000 0.896 94 T HN 0.614 nan 8.240 nan 0.000 0.472 95 H N 2.830 121.892 119.070 -0.013 0.000 3.432 95 H HA 0.456 5.011 4.556 -0.003 0.000 0.252 95 H C 0.223 175.518 175.328 -0.055 0.000 1.397 95 H CA 0.125 56.157 56.048 -0.028 0.000 1.549 95 H CB -0.410 29.332 29.762 -0.033 0.000 1.699 95 H HN 0.454 nan 8.280 nan 0.000 0.523 96 R N 2.178 122.713 120.500 0.059 0.000 2.854 96 R HA 0.241 4.580 4.340 -0.003 0.000 0.271 96 R C -1.567 174.742 176.300 0.016 0.000 0.994 96 R CA -1.837 54.264 56.100 0.002 0.000 0.945 96 R CB 1.071 31.376 30.300 0.008 0.000 1.194 96 R HN 0.157 nan 8.270 nan 0.000 0.476 97 P HA -0.099 nan 4.420 nan 0.000 0.219 97 P C -0.561 176.755 177.300 0.027 0.000 1.146 97 P CA 1.314 64.435 63.100 0.035 0.000 0.808 97 P CB 0.282 32.035 31.700 0.089 0.000 0.779 98 N N -1.063 117.654 118.700 0.029 0.000 2.577 98 N HA 0.135 4.873 4.740 -0.003 0.000 0.275 98 N C -2.637 172.869 175.510 -0.008 0.000 1.091 98 N CA -1.304 51.743 53.050 -0.005 0.000 0.843 98 N CB 1.628 40.099 38.487 -0.026 0.000 1.295 98 N HN 0.051 nan 8.380 nan 0.000 0.530 99 P HA 0.066 nan 4.420 nan 0.000 0.262 99 P C -0.332 176.942 177.300 -0.045 0.000 1.647 99 P CA 0.104 63.203 63.100 -0.001 0.000 0.865 99 P CB -0.122 31.604 31.700 0.044 0.000 1.834 100 L N 0.405 121.579 121.223 -0.081 0.000 2.261 100 L HA 0.465 4.803 4.340 -0.003 0.000 0.289 100 L C 1.271 177.978 176.870 -0.272 0.000 1.059 100 L CA -0.325 54.432 54.840 -0.138 0.000 0.816 100 L CB 1.014 43.006 42.059 -0.112 0.000 1.191 100 L HN 0.093 nan 8.230 nan 0.000 0.431 104 K N 3.122 123.512 120.400 -0.017 0.000 2.264 104 K HA 0.695 5.014 4.320 -0.003 0.000 0.277 104 K C 0.050 176.525 176.600 -0.207 0.000 1.067 104 K CA -0.664 55.348 56.287 -0.458 0.000 0.900 104 K CB 1.106 32.930 32.500 -1.127 0.000 1.124 104 K HN 0.457 nan 8.250 nan 0.000 0.469 105 V N -0.487 119.371 119.914 -0.093 0.000 2.994 105 V HA 0.495 4.614 4.120 -0.003 0.000 0.318 105 V C -0.439 175.661 176.094 0.009 0.000 1.085 105 V CA -1.047 61.238 62.300 -0.024 0.000 0.998 105 V CB 1.595 33.414 31.823 -0.006 0.000 1.063 105 V HN 0.869 nan 8.190 nan 0.000 0.447 106 E N 2.023 122.211 120.200 -0.020 0.000 2.259 106 E HA 0.441 4.790 4.350 -0.003 0.000 0.281 106 E C -0.931 175.581 176.600 -0.147 0.000 1.027 106 E CA -0.437 55.841 56.400 -0.203 0.000 0.838 106 E CB 1.435 31.033 29.700 -0.169 0.000 1.066 106 E HN 0.834 nan 8.360 nan 0.000 0.401 107 L N 5.832 126.944 121.223 -0.185 0.000 2.255 107 L HA 0.380 4.719 4.340 -0.003 0.000 0.289 107 L C 0.391 177.225 176.870 -0.059 0.000 1.046 107 L CA 0.402 55.204 54.840 -0.064 0.000 0.816 107 L CB 0.614 42.666 42.059 -0.010 0.000 1.197 107 L HN 0.730 nan 8.230 nan 0.000 0.427 108 R N 2.603 123.095 120.500 -0.013 0.000 2.175 108 R HA 0.205 4.543 4.340 -0.003 0.000 0.202 108 R C -0.118 176.183 176.300 0.001 0.000 1.018 108 R CA 0.283 56.375 56.100 -0.014 0.000 1.029 108 R CB 0.448 30.746 30.300 -0.004 0.000 0.959 108 R HN 0.723 nan 8.270 nan 0.000 0.480 109 Q N 0.517 120.346 119.800 0.048 0.000 2.430 109 Q HA 0.149 4.488 4.340 -0.003 0.000 0.253 109 Q C -1.921 174.156 176.000 0.128 0.000 0.945 109 Q CA -0.300 55.526 55.803 0.037 0.000 0.964 109 Q CB 2.208 30.896 28.738 -0.082 0.000 1.460 109 Q HN -0.063 nan 8.270 nan 0.000 0.428 110 V N 3.963 123.939 119.914 0.103 0.000 2.334 110 V HA 0.289 4.407 4.120 -0.003 0.000 0.267 110 V C -0.080 176.099 176.094 0.141 0.000 1.040 110 V CA -0.207 62.174 62.300 0.134 0.000 0.866 110 V CB 1.101 32.980 31.823 0.095 0.000 1.019 110 V HN 0.669 nan 8.190 nan 0.000 0.468 111 E N 4.136 124.478 120.200 0.236 0.000 2.134 111 E HA 0.387 4.735 4.350 -0.003 0.000 0.278 111 E C -1.347 175.384 176.600 0.217 0.000 0.959 111 E CA -0.496 56.044 56.400 0.233 0.000 0.783 111 E CB 1.221 31.134 29.700 0.356 0.000 1.095 111 E HN 0.689 nan 8.360 nan 0.000 0.399 112 C N 6.655 126.040 119.300 0.142 0.000 2.281 112 C HA 0.586 5.045 4.460 -0.003 0.000 0.323 112 C C -0.374 174.683 174.990 0.111 0.000 1.270 112 C CA -0.631 58.448 59.018 0.102 0.000 1.559 112 C CB -0.839 26.937 27.740 0.061 0.000 2.239 112 C HN 0.635 nan 8.230 nan 0.000 0.488 113 I N 1.305 121.952 120.570 0.129 0.000 2.611 113 I HA 0.437 4.606 4.170 -0.003 0.000 0.287 113 I C -0.671 175.509 176.117 0.105 0.000 1.184 113 I CA -0.532 60.842 61.300 0.123 0.000 1.054 113 I CB 1.158 39.256 38.000 0.163 0.000 1.257 113 I HN 0.567 nan 8.210 nan 0.000 0.435 114 N N 4.036 122.775 118.700 0.066 0.000 2.714 114 N HA -0.179 4.559 4.740 -0.003 0.000 0.253 114 N C 1.036 176.569 175.510 0.038 0.000 1.024 114 N CA 1.727 54.808 53.050 0.051 0.000 0.726 114 N CB -1.185 37.337 38.487 0.059 0.000 0.908 114 N HN 1.444 nan 8.380 nan 0.000 0.542 115 G N -1.291 107.522 108.800 0.021 0.000 2.168 115 G HA2 -0.355 3.604 3.960 -0.003 0.000 0.257 115 G HA3 -0.355 3.604 3.960 -0.003 0.000 0.257 115 G C -0.286 174.591 174.900 -0.037 0.000 0.997 115 G CA 0.290 45.388 45.100 -0.005 0.000 0.708 115 G HN 0.598 nan 8.290 nan 0.000 0.520 116 N N -0.107 118.568 118.700 -0.041 0.000 2.407 116 N HA 0.553 5.291 4.740 -0.003 0.000 0.277 116 N C -0.362 174.955 175.510 -0.322 0.000 0.995 116 N CA -0.350 52.580 53.050 -0.200 0.000 0.903 116 N CB 1.439 39.924 38.487 -0.004 0.000 1.218 116 N HN 0.203 nan 8.380 nan 0.000 0.487 117 I N 3.034 123.312 120.570 -0.486 0.000 2.362 117 I HA 0.376 4.544 4.170 -0.003 0.000 0.289 117 I C -0.855 174.941 176.117 -0.534 0.000 0.994 117 I CA -0.578 60.527 61.300 -0.326 0.000 1.158 117 I CB 0.694 38.618 38.000 -0.127 0.000 1.315 117 I HN 0.262 nan 8.210 nan 0.000 0.451 118 F N 6.507 126.495 119.950 0.063 0.000 2.449 118 F HA 0.456 4.981 4.527 -0.002 0.000 0.342 118 F C -0.160 175.677 175.800 0.061 0.000 1.127 118 F CA -0.682 57.325 58.000 0.010 0.000 0.975 118 F CB 1.396 40.368 39.000 -0.046 0.000 1.146 118 F HN 0.150 nan 8.300 nan 0.000 0.444 119 L N 4.772 126.082 121.223 0.146 0.000 2.270 119 L HA 0.297 4.635 4.340 -0.003 0.000 0.286 119 L C -0.056 176.879 176.870 0.108 0.000 1.059 119 L CA -0.432 54.489 54.840 0.136 0.000 0.839 119 L CB 0.029 42.132 42.059 0.073 0.000 1.221 119 L HN 0.598 nan 8.230 nan 0.000 0.431 120 H N 5.246 124.369 119.070 0.088 0.000 3.015 120 H HA 0.248 4.803 4.556 -0.003 0.000 0.268 120 H C 0.169 175.508 175.328 0.019 0.000 1.113 120 H CA -0.259 55.820 56.048 0.052 0.000 1.479 120 H CB 0.875 30.657 29.762 0.033 0.000 1.493 120 H HN 0.486 nan 8.280 nan 0.000 0.486 121 L N 1.757 123.029 121.223 0.081 0.000 2.600 121 L HA 0.303 4.642 4.340 -0.003 0.000 0.221 121 L C 1.602 178.484 176.870 0.021 0.000 1.197 121 L CA -0.418 54.443 54.840 0.035 0.000 0.838 121 L CB 0.342 42.408 42.059 0.011 0.000 1.474 121 L HN 0.559 nan 8.230 nan 0.000 0.514 122 G N -0.999 107.798 108.800 -0.005 0.000 3.227 122 G HA2 0.504 4.462 3.960 -0.003 0.000 0.171 122 G HA3 0.504 4.462 3.960 -0.003 0.000 0.171 122 G C -0.715 174.189 174.900 0.007 0.000 1.463 122 G CA -0.014 45.081 45.100 -0.009 0.000 1.016 122 G HN 0.701 nan 8.290 nan 0.000 0.594 123 A N 0.162 122.993 122.820 0.018 0.000 2.350 123 A HA 0.559 4.878 4.320 -0.003 0.000 0.293 123 A C 0.381 178.001 177.584 0.059 0.000 1.231 123 A CA -0.192 51.875 52.037 0.050 0.000 0.883 123 A CB -0.246 18.788 19.000 0.057 0.000 1.133 123 A HN 1.448 nan 8.150 nan 0.000 0.533 124 V N 0.433 120.402 119.914 0.092 0.000 3.302 124 V HA 0.781 4.899 4.120 -0.003 0.000 0.316 124 V C 0.228 176.410 176.094 0.147 0.000 1.111 124 V CA -0.041 62.307 62.300 0.081 0.000 1.029 124 V CB 1.869 33.714 31.823 0.038 0.000 1.170 124 V HN 0.784 nan 8.190 nan 0.000 0.452 125 D N -0.992 119.432 120.400 0.040 0.000 2.538 125 D HA 0.190 4.828 4.640 -0.003 0.000 0.241 125 D C 0.152 176.399 176.300 -0.087 0.000 1.297 125 D CA -0.127 53.847 54.000 -0.042 0.000 0.804 125 D CB -0.394 40.358 40.800 -0.079 0.000 1.122 125 D HN 0.534 nan 8.370 nan 0.000 0.519 126 L N 1.544 122.700 121.223 -0.112 0.000 2.350 126 L HA 0.403 4.741 4.340 -0.003 0.000 0.275 126 L C 0.980 177.831 176.870 -0.031 0.000 1.099 126 L CA -1.293 53.408 54.840 -0.231 0.000 0.808 126 L CB 1.689 43.486 42.059 -0.436 0.000 1.149 126 L HN -0.064 nan 8.230 nan 0.000 0.442 127 V N 0.756 120.660 119.914 -0.018 0.000 2.924 127 V HA 0.059 4.178 4.120 -0.003 0.000 0.305 127 V C 0.234 176.353 176.094 0.041 0.000 1.073 127 V CA -0.438 61.902 62.300 0.067 0.000 1.098 127 V CB 1.356 33.223 31.823 0.073 0.000 1.000 127 V HN 0.867 nan 8.190 nan 0.000 0.484 128 D N 3.300 123.736 120.400 0.061 0.000 2.533 128 D HA 0.362 5.000 4.640 -0.003 0.000 0.236 128 D C 1.210 177.543 176.300 0.055 0.000 1.137 128 D CA 1.879 55.910 54.000 0.051 0.000 0.867 128 D CB 0.456 41.287 40.800 0.052 0.000 1.170 128 D HN 1.500 nan 8.370 nan 0.000 0.474 129 G N 2.452 111.290 108.800 0.063 0.000 2.179 129 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.260 129 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.260 129 G C 0.600 175.503 174.900 0.005 0.000 0.977 129 G CA 0.439 45.572 45.100 0.055 0.000 0.641 129 G HN 0.717 nan 8.290 nan 0.000 0.533 130 T N 3.189 117.733 114.554 -0.017 0.000 2.908 130 T HA 0.403 4.751 4.350 -0.003 0.000 0.301 130 T C -2.063 172.595 174.700 -0.069 0.000 1.019 130 T CA 0.145 62.233 62.100 -0.021 0.000 1.152 130 T CB 1.208 70.059 68.868 -0.030 0.000 0.966 130 T HN 0.153 nan 8.240 nan 0.000 0.540 131 P HA 0.234 nan 4.420 nan 0.000 0.276 131 P C -0.533 176.550 177.300 -0.362 0.000 1.235 131 P CA -0.482 62.475 63.100 -0.238 0.000 0.772 131 P CB 0.378 31.893 31.700 -0.307 0.000 0.871 132 I N 3.948 124.347 120.570 -0.286 0.000 2.353 132 I HA 0.218 4.386 4.170 -0.003 0.000 0.293 132 I C 1.046 177.003 176.117 -0.268 0.000 0.992 132 I CA -0.309 60.870 61.300 -0.200 0.000 1.268 132 I CB 0.274 38.235 38.000 -0.066 0.000 1.387 132 I HN 0.456 nan 8.210 nan 0.000 0.478 133 F N 2.043 122.013 119.950 0.032 0.000 2.505 133 F HA 0.120 4.645 4.527 -0.002 0.000 0.289 133 F C 0.633 176.398 175.800 -0.057 0.000 1.101 133 F CA 0.072 58.055 58.000 -0.028 0.000 1.446 133 F CB 0.630 39.612 39.000 -0.031 0.000 1.123 133 F HN 0.430 nan 8.300 nan 0.000 0.564 134 D N -0.883 119.608 120.400 0.152 0.000 2.654 134 D HA 0.427 5.065 4.640 -0.003 0.000 0.231 134 D C -1.348 175.004 176.300 0.088 0.000 1.239 134 D CA -0.287 53.758 54.000 0.075 0.000 0.790 134 D CB 1.916 42.752 40.800 0.060 0.000 1.480 134 D HN -0.155 nan 8.370 nan 0.000 0.442 135 I N 2.609 123.216 120.570 0.062 0.000 2.439 135 I HA 0.370 4.538 4.170 -0.003 0.000 0.283 135 I C -0.243 175.922 176.117 0.080 0.000 1.023 135 I CA -0.604 60.748 61.300 0.087 0.000 1.100 135 I CB 1.433 39.469 38.000 0.061 0.000 1.238 135 I HN 0.052 nan 8.210 nan 0.000 0.445 136 K N 6.581 127.057 120.400 0.127 0.000 2.340 136 K HA 0.631 4.950 4.320 -0.003 0.000 0.244 136 K C -2.761 173.890 176.600 0.086 0.000 0.973 136 K CA -1.861 54.481 56.287 0.091 0.000 0.828 136 K CB 2.219 34.787 32.500 0.112 0.000 1.226 136 K HN 0.153 nan 8.250 nan 0.000 0.437 137 P HA 0.106 nan 4.420 nan 0.000 0.290 137 P C -1.451 175.808 177.300 -0.068 0.000 1.276 137 P CA -0.393 62.546 63.100 -0.268 0.000 0.808 137 P CB 0.312 31.361 31.700 -1.084 0.000 0.966 138 Y N 4.132 124.375 120.300 -0.095 0.000 2.486 138 Y HA 0.333 4.882 4.550 -0.002 0.000 0.348 138 Y C -0.263 175.651 175.900 0.023 0.000 1.000 138 Y CA -0.085 57.980 58.100 -0.057 0.000 1.253 138 Y CB -0.064 38.198 38.460 -0.331 0.000 1.140 138 Y HN 0.218 nan 8.280 nan 0.000 0.526 139 I N 7.255 127.756 120.570 -0.114 0.000 2.321 139 I HA 0.255 4.423 4.170 -0.003 0.000 0.291 139 I C 1.078 177.173 176.117 -0.038 0.000 0.998 139 I CA -0.374 60.942 61.300 0.027 0.000 1.227 139 I CB 1.662 39.681 38.000 0.032 0.000 1.368 139 I HN 0.854 nan 8.210 nan 0.000 0.466 140 A N 6.091 129.020 122.820 0.182 0.000 1.978 140 A HA -0.229 4.090 4.320 -0.003 0.000 0.220 140 A C 2.038 179.691 177.584 0.116 0.000 1.170 140 A CA 1.473 53.629 52.037 0.197 0.000 0.636 140 A CB -0.587 18.541 19.000 0.212 0.000 0.810 140 A HN 0.841 nan 8.150 nan 0.000 0.448 141 Y N 0.047 120.372 120.300 0.042 0.000 2.062 141 Y HA -0.129 4.420 4.550 -0.002 0.000 0.272 141 Y C 2.757 178.656 175.900 -0.001 0.000 1.117 141 Y CA 1.899 60.015 58.100 0.027 0.000 1.095 141 Y CB -0.358 38.119 38.460 0.029 0.000 0.985 141 Y HN 0.297 nan 8.280 nan 0.000 0.479 142 A N -0.591 122.413 122.820 0.307 0.000 2.067 142 A HA -0.124 4.195 4.320 -0.003 0.000 0.219 142 A C 1.434 179.039 177.584 0.034 0.000 1.158 142 A CA 1.862 53.990 52.037 0.151 0.000 0.661 142 A CB -0.463 18.573 19.000 0.060 0.000 0.801 142 A HN 0.614 nan 8.150 nan 0.000 0.452 143 D N -1.165 119.206 120.400 -0.048 0.000 2.380 143 D HA 0.108 4.746 4.640 -0.003 0.000 0.212 143 D C 0.546 176.872 176.300 0.043 0.000 1.021 143 D CA 0.390 54.338 54.000 -0.087 0.000 0.884 143 D CB -0.051 40.491 40.800 -0.430 0.000 1.001 143 D HN 0.223 nan 8.370 nan 0.000 0.506 144 S N 0.571 116.310 115.700 0.066 0.000 2.523 144 S HA 0.244 4.712 4.470 -0.003 0.000 0.275 144 S C -0.267 174.375 174.600 0.069 0.000 1.281 144 S CA -0.175 58.107 58.200 0.136 0.000 1.050 144 S CB 0.768 64.054 63.200 0.143 0.000 0.937 144 S HN -0.022 nan 8.310 nan 0.000 0.492 145 E N 5.017 125.263 120.200 0.077 0.000 3.191 145 E HA 0.375 4.724 4.350 -0.003 0.000 0.303 145 E C -2.253 174.372 176.600 0.043 0.000 1.197 145 E CA -1.184 55.243 56.400 0.044 0.000 0.901 145 E CB 0.597 30.324 29.700 0.046 0.000 1.446 145 E HN 0.351 nan 8.360 nan 0.000 0.385 146 P HA -0.103 nan 4.420 nan 0.000 0.215 146 P C 0.114 177.424 177.300 0.017 0.000 1.157 146 P CA 1.108 64.221 63.100 0.022 0.000 0.874 146 P CB 0.224 31.930 31.700 0.010 0.000 0.790 147 N N -0.472 118.235 118.700 0.012 0.000 2.501 147 N HA 0.155 4.894 4.740 -0.003 0.000 0.195 147 N C 0.180 175.698 175.510 0.014 0.000 1.213 147 N CA 0.068 53.124 53.050 0.010 0.000 0.864 147 N CB -0.456 38.034 38.487 0.005 0.000 0.999 147 N HN 0.100 nan 8.380 nan 0.000 0.454 148 A N 0.879 123.712 122.820 0.021 0.000 2.524 148 A HA -0.066 4.253 4.320 -0.003 0.000 0.271 148 A C 0.636 178.233 177.584 0.021 0.000 1.097 148 A CA 0.188 52.240 52.037 0.024 0.000 0.791 148 A CB 0.019 19.041 19.000 0.036 0.000 1.028 148 A HN 0.139 nan 8.150 nan 0.000 0.518 149 Q N 1.320 121.131 119.800 0.017 0.000 2.316 149 Q HA 0.536 4.874 4.340 -0.003 0.000 0.215 149 Q C 0.432 176.442 176.000 0.017 0.000 1.020 149 Q CA 0.116 55.928 55.803 0.015 0.000 0.970 149 Q CB 1.298 30.043 28.738 0.012 0.000 1.187 149 Q HN 0.825 nan 8.270 nan 0.000 0.546 150 S N -0.852 114.858 115.700 0.015 0.000 4.341 150 S HA 0.300 4.768 4.470 -0.003 0.000 0.220 150 S C -0.165 174.443 174.600 0.014 0.000 1.133 150 S CA -0.159 58.050 58.200 0.016 0.000 1.679 150 S CB -0.221 62.989 63.200 0.017 0.000 1.237 150 S HN 0.722 nan 8.310 nan 0.000 0.744 160 K N 2.710 123.091 120.400 -0.032 0.000 2.383 160 K HA 0.472 4.790 4.320 -0.003 0.000 0.286 160 K C -0.374 176.201 176.600 -0.043 0.000 1.051 160 K CA 0.129 56.391 56.287 -0.041 0.000 0.974 160 K CB 0.670 33.148 32.500 -0.036 0.000 0.968 160 K HN 0.473 nan 8.250 nan 0.000 0.475 161 M N 2.833 122.398 119.600 -0.058 0.000 2.472 161 M HA 0.156 4.634 4.480 -0.003 0.000 0.331 161 M C 0.411 176.663 176.300 -0.079 0.000 1.170 161 M CA -0.880 54.384 55.300 -0.060 0.000 1.009 161 M CB 1.745 34.308 32.600 -0.062 0.000 1.672 161 M HN 0.561 nan 8.290 nan 0.000 0.453 162 T N -0.016 114.495 114.554 -0.071 0.000 2.897 162 T HA 0.470 4.819 4.350 -0.003 0.000 0.294 162 T C -0.167 174.450 174.700 -0.139 0.000 1.004 162 T CA -0.787 61.259 62.100 -0.090 0.000 1.106 162 T CB 0.816 69.644 68.868 -0.066 0.000 0.949 162 T HN 0.421 nan 8.240 nan 0.000 0.520 163 V N 3.107 122.903 119.914 -0.197 0.000 2.370 163 V HA 0.466 4.584 4.120 -0.003 0.000 0.283 163 V C 0.163 175.979 176.094 -0.463 0.000 1.023 163 V CA -0.631 61.469 62.300 -0.334 0.000 0.857 163 V CB 1.133 32.726 31.823 -0.384 0.000 0.985 163 V HN 1.020 nan 8.190 nan 0.000 0.443 164 E N 4.126 124.061 120.200 -0.442 0.000 2.238 164 E HA 0.601 4.950 4.350 -0.003 0.000 0.267 164 E C -1.755 174.590 176.600 -0.425 0.000 0.887 164 E CA -0.612 55.553 56.400 -0.390 0.000 0.769 164 E CB 1.746 31.362 29.700 -0.140 0.000 1.187 164 E HN 0.492 nan 8.360 nan 0.000 0.416 165 F N 1.398 121.352 119.950 0.007 0.000 2.469 165 F HA 0.269 4.794 4.527 -0.003 0.000 0.332 165 F C 1.010 176.819 175.800 0.015 0.000 1.103 165 F CA -0.872 57.134 58.000 0.011 0.000 0.979 165 F CB 1.696 40.695 39.000 -0.002 0.000 1.137 165 F HN 0.321 nan 8.300 nan 0.000 0.463 166 T N -2.021 112.651 114.554 0.196 0.000 2.766 166 T HA 0.105 4.453 4.350 -0.003 0.000 0.295 166 T C 1.034 175.799 174.700 0.109 0.000 1.024 166 T CA -0.390 61.781 62.100 0.119 0.000 1.018 166 T CB 1.018 69.940 68.868 0.089 0.000 1.002 166 T HN 0.680 nan 8.240 nan 0.000 0.532 167 E N 0.085 120.326 120.200 0.068 0.000 2.085 167 E HA -0.160 4.189 4.350 -0.003 0.000 0.194 167 E C 2.207 178.824 176.600 0.027 0.000 0.994 167 E CA 1.469 57.895 56.400 0.044 0.000 0.801 167 E CB -0.372 29.346 29.700 0.030 0.000 0.743 167 E HN 0.787 nan 8.360 nan 0.000 0.453 168 Q N 0.038 119.857 119.800 0.031 0.000 2.124 168 Q HA -0.057 4.282 4.340 -0.003 0.000 0.202 168 Q C 1.846 177.854 176.000 0.013 0.000 0.977 168 Q CA 1.995 57.810 55.803 0.019 0.000 0.850 168 Q CB -0.562 28.192 28.738 0.027 0.000 0.901 168 Q HN 0.259 nan 8.270 nan 0.000 0.429 169 A N 0.714 123.560 122.820 0.043 0.000 1.855 169 A HA -0.162 4.156 4.320 -0.003 0.000 0.215 169 A C 2.008 179.556 177.584 -0.061 0.000 1.191 169 A CA 1.602 53.663 52.037 0.040 0.000 0.613 169 A CB -0.485 18.613 19.000 0.162 0.000 0.829 169 A HN 0.427 nan 8.150 nan 0.000 0.442 170 K N -0.217 120.154 120.400 -0.050 0.000 2.113 170 K HA -0.163 4.155 4.320 -0.003 0.000 0.208 170 K C 2.400 178.908 176.600 -0.153 0.000 1.047 170 K CA 1.522 57.711 56.287 -0.164 0.000 0.928 170 K CB -0.223 32.242 32.500 -0.059 0.000 0.716 170 K HN 0.463 nan 8.250 nan 0.000 0.446 171 S N 0.355 116.003 115.700 -0.087 0.000 2.357 171 S HA -0.079 4.390 4.470 -0.003 0.000 0.221 171 S C 2.085 176.628 174.600 -0.095 0.000 1.031 171 S CA 1.049 59.203 58.200 -0.076 0.000 0.982 171 S CB -0.151 63.024 63.200 -0.042 0.000 0.853 171 S HN 0.375 nan 8.310 nan 0.000 0.458 172 A N 0.880 123.645 122.820 -0.093 0.000 1.902 172 A HA -0.015 4.304 4.320 -0.003 0.000 0.217 172 A C 2.297 179.772 177.584 -0.182 0.000 1.181 172 A CA 1.823 53.795 52.037 -0.109 0.000 0.623 172 A CB -1.008 17.943 19.000 -0.082 0.000 0.818 172 A HN 0.457 nan 8.150 nan 0.000 0.443 173 V N 0.288 120.067 119.914 -0.225 0.000 2.358 173 V HA -0.232 3.887 4.120 -0.003 0.000 0.246 173 V C 2.549 178.502 176.094 -0.234 0.000 1.047 173 V CA 2.372 64.501 62.300 -0.286 0.000 1.035 173 V CB -0.653 30.929 31.823 -0.402 0.000 0.658 173 V HN 0.656 nan 8.190 nan 0.000 0.452 174 K N 1.330 121.610 120.400 -0.200 0.000 2.063 174 K HA -0.220 4.098 4.320 -0.003 0.000 0.208 174 K C 2.127 178.656 176.600 -0.118 0.000 1.048 174 K CA 1.880 58.077 56.287 -0.151 0.000 0.928 174 K CB -0.425 32.001 32.500 -0.124 0.000 0.713 174 K HN 0.411 nan 8.250 nan 0.000 0.442 175 K N -0.423 119.912 120.400 -0.109 0.000 2.148 175 K HA -0.101 4.217 4.320 -0.003 0.000 0.204 175 K C 1.514 178.071 176.600 -0.073 0.000 1.050 175 K CA 1.171 57.412 56.287 -0.077 0.000 0.942 175 K CB 0.065 32.529 32.500 -0.060 0.000 0.724 175 K HN -0.027 nan 8.250 nan 0.000 0.446 176 R N 0.259 120.692 120.500 -0.113 0.000 2.297 176 R HA 0.046 4.385 4.340 -0.003 0.000 0.197 176 R C 1.386 177.635 176.300 -0.085 0.000 0.943 176 R CA 0.472 56.519 56.100 -0.089 0.000 1.038 176 R CB 0.087 30.244 30.300 -0.238 0.000 0.957 176 R HN 0.194 nan 8.270 nan 0.000 0.484 177 E N 0.523 120.656 120.200 -0.112 0.000 2.333 177 E HA -0.148 4.200 4.350 -0.003 0.000 0.198 177 E C 0.910 177.447 176.600 -0.104 0.000 1.007 177 E CA 0.955 57.286 56.400 -0.116 0.000 0.845 177 E CB 0.185 29.807 29.700 -0.131 0.000 0.766 177 E HN 0.202 nan 8.360 nan 0.000 0.507 178 E N -0.213 119.939 120.200 -0.080 0.000 2.051 178 E HA -0.077 4.272 4.350 -0.003 0.000 0.189 178 E C 1.667 178.227 176.600 -0.066 0.000 0.979 178 E CA 0.971 57.329 56.400 -0.070 0.000 0.803 178 E CB 0.088 29.756 29.700 -0.053 0.000 0.761 178 E HN 0.017 nan 8.360 nan 0.000 0.451 179 K N 0.328 120.697 120.400 -0.051 0.000 1.995 179 K HA 0.088 4.406 4.320 -0.003 0.000 0.207 179 K C 0.555 177.102 176.600 -0.089 0.000 1.041 179 K CA 0.881 57.134 56.287 -0.057 0.000 0.942 179 K CB -0.005 32.480 32.500 -0.025 0.000 0.731 179 K HN -0.016 nan 8.250 nan 0.000 0.439 180 R N 2.458 122.909 120.500 -0.081 0.000 2.471 180 R HA 0.251 4.590 4.340 -0.003 0.000 0.292 180 R C -2.376 173.868 176.300 -0.094 0.000 1.192 180 R CA -1.647 54.373 56.100 -0.134 0.000 1.257 180 R CB 0.723 30.914 30.300 -0.183 0.000 1.130 180 R HN 0.156 nan 8.270 nan 0.000 0.558 181 P HA 0.029 nan 4.420 nan 0.000 0.271 181 P C -0.651 176.595 177.300 -0.090 0.000 1.216 181 P CA 0.199 63.194 63.100 -0.174 0.000 0.776 181 P CB 0.499 32.071 31.700 -0.214 0.000 0.881 182 H N -0.836 118.228 119.070 -0.010 0.000 3.132 182 H HA -0.118 4.437 4.556 -0.003 0.000 0.237 182 H C 1.160 176.546 175.328 0.098 0.000 1.189 182 H CA 0.262 56.328 56.048 0.031 0.000 1.129 182 H CB -1.491 28.286 29.762 0.025 0.000 1.225 182 H HN 0.294 nan 8.280 nan 0.000 0.323 183 L N -0.223 121.089 121.223 0.148 0.000 2.191 183 L HA -0.124 4.214 4.340 -0.003 0.000 0.212 183 L C 2.046 179.040 176.870 0.206 0.000 1.103 183 L CA 2.330 57.300 54.840 0.218 0.000 0.769 183 L CB -0.491 41.612 42.059 0.073 0.000 0.908 183 L HN 0.414 nan 8.230 nan 0.000 0.438 184 S N 0.757 116.517 115.700 0.099 0.000 2.335 184 S HA -0.205 4.264 4.470 -0.003 0.000 0.217 184 S C 1.958 176.699 174.600 0.234 0.000 1.032 184 S CA 1.412 59.656 58.200 0.072 0.000 0.985 184 S CB -0.145 63.014 63.200 -0.069 0.000 0.896 184 S HN 0.719 nan 8.310 nan 0.000 0.445 185 R N -0.206 120.432 120.500 0.229 0.000 2.285 185 R HA 0.035 4.373 4.340 -0.003 0.000 0.213 185 R C 1.741 178.184 176.300 0.238 0.000 1.068 185 R CA 1.145 57.372 56.100 0.211 0.000 1.004 185 R CB -0.761 29.645 30.300 0.176 0.000 0.873 185 R HN 0.423 nan 8.270 nan 0.000 0.467 186 F N 1.870 121.889 119.950 0.114 0.000 2.546 186 F HA 0.177 4.702 4.527 -0.003 0.000 0.298 186 F C 0.516 176.358 175.800 0.070 0.000 1.120 186 F CA -0.404 57.655 58.000 0.099 0.000 1.456 186 F CB 0.146 39.237 39.000 0.153 0.000 1.088 186 F HN -0.062 nan 8.300 nan 0.000 0.572 187 I N 1.888 122.461 120.570 0.004 0.000 2.206 187 I HA 0.139 4.308 4.170 -0.003 0.000 0.292 187 I C 0.723 176.763 176.117 -0.128 0.000 1.156 187 I CA 0.184 61.400 61.300 -0.141 0.000 1.356 187 I CB -0.099 37.883 38.000 -0.030 0.000 1.494 187 I HN -0.007 nan 8.210 nan 0.000 0.601 188 R N 1.755 122.158 120.500 -0.161 0.000 2.509 188 R HA 0.122 4.460 4.340 -0.003 0.000 0.297 188 R C 1.551 177.740 176.300 -0.185 0.000 0.951 188 R CA -0.070 55.955 56.100 -0.125 0.000 1.103 188 R CB 0.604 30.876 30.300 -0.047 0.000 1.283 188 R HN 0.499 nan 8.270 nan 0.000 0.534 189 Q N 0.238 119.872 119.800 -0.276 0.000 2.061 189 Q HA 0.003 4.342 4.340 -0.003 0.000 0.195 189 Q C 1.884 177.657 176.000 -0.378 0.000 0.967 189 Q CA 1.169 56.782 55.803 -0.317 0.000 0.829 189 Q CB -0.107 28.397 28.738 -0.390 0.000 0.900 189 Q HN 0.090 nan 8.270 nan 0.000 0.450 190 V N 2.150 121.768 119.914 -0.493 0.000 2.867 190 V HA -0.176 3.943 4.120 -0.003 0.000 0.260 190 V C 2.082 177.927 176.094 -0.414 0.000 1.099 190 V CA 0.931 62.829 62.300 -0.670 0.000 1.122 190 V CB -0.580 30.691 31.823 -0.920 0.000 0.708 190 V HN 0.267 nan 8.190 nan 0.000 0.490 191 L N 0.026 121.072 121.223 -0.296 0.000 2.737 191 L HA 0.098 4.436 4.340 -0.003 0.000 0.246 191 L C 0.640 177.417 176.870 -0.155 0.000 1.153 191 L CA 0.660 55.382 54.840 -0.197 0.000 0.920 191 L CB -0.275 41.691 42.059 -0.156 0.000 1.090 191 L HN 0.463 nan 8.230 nan 0.000 0.430 207 R N 1.444 121.772 120.500 -0.288 0.000 3.179 207 R HA 0.376 4.714 4.340 -0.003 0.000 0.231 207 R C -1.438 174.474 176.300 -0.646 0.000 1.796 207 R CA -0.410 55.356 56.100 -0.556 0.000 1.233 207 R CB -1.297 28.801 30.300 -0.337 0.000 1.545 207 R HN 0.273 nan 8.270 nan 0.000 0.552 208 I N -0.559 119.577 120.570 -0.723 0.000 2.782 208 I HA 0.431 4.599 4.170 -0.003 0.000 0.279 208 I C -0.817 174.960 176.117 -0.567 0.000 1.247 208 I CA -1.521 59.470 61.300 -0.516 0.000 1.062 208 I CB 0.139 37.983 38.000 -0.259 0.000 1.421 208 I HN 0.193 nan 8.210 nan 0.000 0.558 209 Y N 2.288 122.232 120.300 -0.594 0.000 2.314 209 Y HA 0.746 5.294 4.550 -0.003 0.000 0.334 209 Y C 1.315 176.915 175.900 -0.499 0.000 1.266 209 Y CA -0.499 57.185 58.100 -0.694 0.000 1.391 209 Y CB 1.165 38.835 38.460 -1.316 0.000 1.306 209 Y HN 0.596 nan 8.280 nan 0.000 0.558 210 G N 1.664 110.472 108.800 0.013 0.000 2.542 210 G HA2 0.609 4.567 3.960 -0.003 0.000 0.311 210 G HA3 0.609 4.567 3.960 -0.003 0.000 0.311 210 G C -1.713 173.436 174.900 0.414 0.000 1.298 210 G CA -0.868 44.358 45.100 0.211 0.000 0.973 210 G HN 0.542 nan 8.290 nan 0.000 0.487 211 M N 1.935 121.810 119.600 0.458 0.000 2.224 211 M HA 0.403 4.881 4.480 -0.003 0.000 0.281 211 M C -0.949 175.511 176.300 0.266 0.000 1.025 211 M CA -0.483 55.044 55.300 0.379 0.000 0.954 211 M CB 1.883 34.688 32.600 0.342 0.000 1.639 211 M HN 0.393 nan 8.290 nan 0.000 0.461 212 S N 4.928 120.766 115.700 0.229 0.000 2.439 212 S HA 0.586 5.054 4.470 -0.003 0.000 0.282 212 S C -0.877 173.829 174.600 0.177 0.000 1.170 212 S CA -0.483 57.837 58.200 0.201 0.000 1.054 212 S CB 0.384 63.687 63.200 0.171 0.000 0.956 212 S HN 0.523 nan 8.310 nan 0.000 0.490 213 L N 4.230 125.582 121.223 0.215 0.000 2.376 213 L HA 0.545 4.884 4.340 -0.003 0.000 0.275 213 L C -0.228 176.814 176.870 0.286 0.000 0.987 213 L CA -0.173 54.782 54.840 0.192 0.000 0.828 213 L CB 0.080 42.278 42.059 0.231 0.000 1.249 213 L HN 0.816 nan 8.230 nan 0.000 0.409 214 Y N 0.949 121.320 120.300 0.119 0.000 2.909 214 Y HA -0.450 4.099 4.550 -0.003 0.000 0.465 214 Y C 1.402 177.198 175.900 -0.174 0.000 1.206 214 Y CA 1.146 59.210 58.100 -0.061 0.000 2.474 214 Y CB -0.542 37.841 38.460 -0.128 0.000 1.242 214 Y HN 0.626 nan 8.280 nan 0.000 0.634 215 E N 0.639 120.698 120.200 -0.234 0.000 2.409 215 E HA 0.068 4.416 4.350 -0.003 0.000 0.198 215 E C -0.141 176.296 176.600 -0.272 0.000 1.024 215 E CA 1.012 57.213 56.400 -0.332 0.000 0.861 215 E CB -0.285 29.128 29.700 -0.478 0.000 0.788 215 E HN 0.294 nan 8.360 nan 0.000 0.521 216 F N 0.650 120.702 119.950 0.170 0.000 2.368 216 F HA 0.367 4.892 4.527 -0.003 0.000 0.315 216 F C 0.269 176.156 175.800 0.145 0.000 1.145 216 F CA -1.093 56.995 58.000 0.147 0.000 1.095 216 F CB 0.604 39.703 39.000 0.166 0.000 1.286 216 F HN -0.265 nan 8.300 nan 0.000 0.530 217 N N -0.013 118.903 118.700 0.360 0.000 2.648 217 N HA 0.312 5.051 4.740 -0.003 0.000 0.261 217 N C -1.644 174.015 175.510 0.249 0.000 1.138 217 N CA -0.304 52.901 53.050 0.259 0.000 0.804 217 N CB 1.618 40.223 38.487 0.196 0.000 1.237 217 N HN 0.195 nan 8.380 nan 0.000 0.532 218 V N 2.137 122.209 119.914 0.264 0.000 2.405 218 V HA 0.202 4.320 4.120 -0.003 0.000 0.264 218 V C 0.364 176.673 176.094 0.357 0.000 1.048 218 V CA -0.304 62.149 62.300 0.256 0.000 0.966 218 V CB 0.084 32.030 31.823 0.204 0.000 1.015 218 V HN 0.396 nan 8.190 nan 0.000 0.477 219 K N 5.194 125.772 120.400 0.297 0.000 2.183 219 K HA 0.588 4.906 4.320 -0.003 0.000 0.274 219 K C -0.580 176.243 176.600 0.372 0.000 1.009 219 K CA -0.426 56.035 56.287 0.290 0.000 0.888 219 K CB 1.880 34.464 32.500 0.140 0.000 1.078 219 K HN 0.825 nan 8.250 nan 0.000 0.459 225 G N 1.026 109.839 108.800 0.022 0.000 2.482 225 G HA2 0.745 4.704 3.960 -0.003 0.000 0.317 225 G HA3 0.745 4.704 3.960 -0.003 0.000 0.317 225 G C -0.256 174.680 174.900 0.059 0.000 1.241 225 G CA 0.011 45.184 45.100 0.123 0.000 0.967 225 G HN 1.393 nan 8.290 nan 0.000 0.482 226 T N -1.116 113.516 114.554 0.130 0.000 2.767 226 T HA 0.509 4.857 4.350 -0.003 0.000 0.284 226 T C -0.133 174.668 174.700 0.169 0.000 0.973 226 T CA -0.746 61.403 62.100 0.081 0.000 0.996 226 T CB 1.696 70.606 68.868 0.070 0.000 0.927 226 T HN 0.731 nan 8.240 nan 0.000 0.456 227 V N 4.319 124.309 119.914 0.126 0.000 2.432 227 V HA 0.288 4.407 4.120 -0.003 0.000 0.271 227 V C 0.273 176.488 176.094 0.202 0.000 1.046 227 V CA -0.391 62.043 62.300 0.224 0.000 0.945 227 V CB 0.397 32.346 31.823 0.210 0.000 0.992 227 V HN 0.882 nan 8.190 nan 0.000 0.471 228 N N 4.191 123.003 118.700 0.187 0.000 2.202 228 N HA 0.092 4.830 4.740 -0.003 0.000 0.191 228 N C 0.135 175.711 175.510 0.111 0.000 1.054 228 N CA 1.138 54.265 53.050 0.128 0.000 0.877 228 N CB -0.173 38.370 38.487 0.094 0.000 1.057 228 N HN 0.656 nan 8.380 nan 0.000 0.456 229 C N 1.685 121.050 119.300 0.108 0.000 2.396 229 C HA 0.557 5.015 4.460 -0.003 0.000 0.321 229 C C -0.513 174.529 174.990 0.087 0.000 1.233 229 C CA -0.685 58.381 59.018 0.081 0.000 1.440 229 C CB 0.259 28.037 27.740 0.064 0.000 2.110 229 C HN 0.104 nan 8.230 nan 0.000 0.473 230 V N 6.997 126.937 119.914 0.043 0.000 2.406 230 V HA 0.585 4.703 4.120 -0.003 0.000 0.272 230 V C 0.169 176.283 176.094 0.033 0.000 1.043 230 V CA 0.179 62.485 62.300 0.009 0.000 0.915 230 V CB 1.063 32.808 31.823 -0.131 0.000 0.988 230 V HN 0.905 nan 8.190 nan 0.000 0.466 231 E N 0.000 120.278 120.200 0.130 0.000 2.725 231 E HA 0.000 4.348 4.350 -0.003 0.000 0.291 231 E CA 0.000 56.505 56.400 0.175 0.000 0.976 231 E CB 0.000 29.770 29.700 0.117 0.000 0.812 231 E HN 0.000 nan 8.360 nan 0.000 0.440