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 1nfv_1_L DATA FIRST_RESID 3 DATA SEQUENCE GNREDRKAKV IEVLNKARAM ELHAIHQYMN QHYSLDDMDY GELAANMKLI DATA SEQUENCE AIDEMRHAEN FAERIKELGG EPTTQKEGKV VTGQAVPVIY ESDADQEDAT DATA SEQUENCE IEAYSQFLKV CKEQGDIVTA RLFERIIEEE QAHLTYYENI GSHIKNLGDT DATA SEQUENCE YLAKIAGTPS STGTASKGFV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.900 174.900 0.001 0.000 0.946 3 G CA 0.000 45.100 45.100 0.000 0.000 0.502 4 N N -0.582 118.118 118.700 -0.000 0.000 2.285 4 N HA 0.124 4.864 4.740 -0.000 0.000 0.262 4 N C 0.888 176.398 175.510 0.001 0.000 1.299 4 N CA -0.547 52.504 53.050 0.000 0.000 0.930 4 N CB 0.930 39.417 38.487 -0.000 0.000 1.157 4 N HN 0.286 nan 8.380 nan 0.000 0.532 5 R N -0.483 120.018 120.500 0.001 0.000 2.081 5 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 5 R C 2.434 178.735 176.300 0.001 0.000 1.131 5 R CA 2.042 58.143 56.100 0.002 0.000 0.960 5 R CB -1.542 28.759 30.300 0.002 0.000 0.856 5 R HN 0.891 nan 8.270 nan 0.000 0.436 6 E N 1.608 121.808 120.200 -0.001 0.000 2.152 6 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 6 E C 1.569 178.167 176.600 -0.004 0.000 0.983 6 E CA 1.366 57.765 56.400 -0.002 0.000 0.818 6 E CB -0.424 29.274 29.700 -0.003 0.000 0.758 6 E HN 0.323 nan 8.360 nan 0.000 0.467 7 D N 0.048 120.446 120.400 -0.003 0.000 2.117 7 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 7 D C 2.148 178.445 176.300 -0.005 0.000 0.987 7 D CA 1.216 55.213 54.000 -0.005 0.000 0.829 7 D CB -0.242 40.555 40.800 -0.004 0.000 0.961 7 D HN 0.375 nan 8.370 nan 0.000 0.460 8 R N 0.678 121.177 120.500 -0.002 0.000 2.073 8 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 8 R C 2.349 178.649 176.300 0.000 0.000 1.134 8 R CA 1.044 57.144 56.100 0.001 0.000 0.952 8 R CB 0.020 30.322 30.300 0.004 0.000 0.850 8 R HN 0.154 nan 8.270 nan 0.000 0.433 9 K N 0.159 120.559 120.400 -0.000 0.000 2.057 9 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 9 K C 2.155 178.750 176.600 -0.009 0.000 1.049 9 K CA 1.428 57.714 56.287 -0.001 0.000 0.931 9 K CB -0.163 32.337 32.500 -0.001 0.000 0.714 9 K HN 0.150 nan 8.250 nan 0.000 0.440 10 A N 1.867 124.680 122.820 -0.012 0.000 1.902 10 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 10 A C 1.898 179.465 177.584 -0.027 0.000 1.181 10 A CA 1.442 53.468 52.037 -0.019 0.000 0.623 10 A CB -0.229 18.761 19.000 -0.016 0.000 0.818 10 A HN 0.153 nan 8.150 nan 0.000 0.443 11 K N -0.440 119.946 120.400 -0.023 0.000 2.155 11 K HA -0.013 4.307 4.320 -0.000 0.000 0.203 11 K C 1.877 178.452 176.600 -0.041 0.000 1.052 11 K CA 1.239 57.507 56.287 -0.031 0.000 0.948 11 K CB -0.224 32.265 32.500 -0.019 0.000 0.728 11 K HN 0.362 nan 8.250 nan 0.000 0.448 12 V N 1.692 121.593 119.914 -0.023 0.000 2.379 12 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 12 V C 2.186 178.258 176.094 -0.037 0.000 1.044 12 V CA 1.321 63.614 62.300 -0.012 0.000 1.036 12 V CB -0.341 31.494 31.823 0.021 0.000 0.664 12 V HN 0.224 nan 8.190 nan 0.000 0.453 13 I N 0.228 120.774 120.570 -0.039 0.000 2.264 13 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 13 I C 2.581 178.640 176.117 -0.095 0.000 1.111 13 I CA 1.927 63.196 61.300 -0.053 0.000 1.382 13 I CB -0.295 37.683 38.000 -0.036 0.000 1.060 13 I HN 0.426 nan 8.210 nan 0.000 0.418 14 E N 0.745 120.884 120.200 -0.101 0.000 2.038 14 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 14 E C 2.246 178.693 176.600 -0.255 0.000 1.000 14 E CA 2.423 58.739 56.400 -0.139 0.000 0.803 14 E CB 0.037 29.672 29.700 -0.108 0.000 0.750 14 E HN 0.448 nan 8.360 nan 0.000 0.448 15 V N -0.961 118.762 119.914 -0.318 0.000 2.667 15 V HA -0.122 3.998 4.120 -0.000 0.000 0.252 15 V C 2.275 178.008 176.094 -0.600 0.000 1.065 15 V CA 1.109 62.997 62.300 -0.687 0.000 1.083 15 V CB -0.559 30.840 31.823 -0.708 0.000 0.692 15 V HN 0.214 nan 8.190 nan 0.000 0.468 16 L N 0.620 121.667 121.223 -0.293 0.000 2.083 16 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 16 L C 2.707 179.359 176.870 -0.364 0.000 1.083 16 L CA 1.832 56.475 54.840 -0.328 0.000 0.752 16 L CB -0.701 41.262 42.059 -0.161 0.000 0.899 16 L HN 0.360 nan 8.230 nan 0.000 0.433 17 N N -0.062 118.492 118.700 -0.244 0.000 2.270 17 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 17 N C 1.722 177.127 175.510 -0.175 0.000 1.016 17 N CA 0.936 53.888 53.050 -0.163 0.000 0.870 17 N CB 0.103 38.528 38.487 -0.103 0.000 0.979 17 N HN 0.319 nan 8.380 nan 0.000 0.431 18 K N 0.621 120.857 120.400 -0.273 0.000 2.057 18 K HA 0.037 4.357 4.320 -0.000 0.000 0.206 18 K C 2.029 178.578 176.600 -0.084 0.000 1.050 18 K CA 1.167 57.335 56.287 -0.199 0.000 0.935 18 K CB -0.058 32.250 32.500 -0.320 0.000 0.715 18 K HN 0.070 nan 8.250 nan 0.000 0.439 19 A N 1.589 124.261 122.820 -0.246 0.000 1.902 19 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 19 A C 2.116 179.673 177.584 -0.045 0.000 1.181 19 A CA 1.495 53.487 52.037 -0.074 0.000 0.623 19 A CB -0.477 18.101 19.000 -0.703 0.000 0.818 19 A HN 0.222 nan 8.150 nan 0.000 0.443 20 R N -0.321 120.065 120.500 -0.190 0.000 2.091 20 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 20 R C 2.250 178.634 176.300 0.140 0.000 1.136 20 R CA 1.605 57.755 56.100 0.084 0.000 0.959 20 R CB -0.423 29.908 30.300 0.051 0.000 0.856 20 R HN 0.445 nan 8.270 nan 0.000 0.437 21 A N 0.463 123.333 122.820 0.083 0.000 1.933 21 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 21 A C 2.154 179.833 177.584 0.158 0.000 1.175 21 A CA 1.619 53.716 52.037 0.101 0.000 0.628 21 A CB -0.383 18.651 19.000 0.056 0.000 0.814 21 A HN 0.378 nan 8.150 nan 0.000 0.444 22 M N -0.789 118.931 119.600 0.199 0.000 2.200 22 M HA -0.098 4.382 4.480 -0.000 0.000 0.265 22 M C 1.929 178.399 176.300 0.283 0.000 1.066 22 M CA 1.108 56.549 55.300 0.235 0.000 1.127 22 M CB -0.278 32.496 32.600 0.290 0.000 1.379 22 M HN 0.325 nan 8.290 nan 0.000 0.420 23 E N 0.721 121.122 120.200 0.336 0.000 2.072 23 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 23 E C 2.126 178.855 176.600 0.215 0.000 0.985 23 E CA 1.177 57.771 56.400 0.325 0.000 0.801 23 E CB -0.427 29.523 29.700 0.418 0.000 0.750 23 E HN 0.542 nan 8.360 nan 0.000 0.452 24 L N 0.856 122.208 121.223 0.216 0.000 2.079 24 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 24 L C 2.807 179.831 176.870 0.257 0.000 1.081 24 L CA 1.293 56.265 54.840 0.220 0.000 0.752 24 L CB -0.725 41.453 42.059 0.197 0.000 0.896 24 L HN 0.274 nan 8.230 nan 0.000 0.433 25 H N 0.627 119.758 119.070 0.103 0.000 2.321 25 H HA -0.157 4.399 4.556 -0.000 0.000 0.300 25 H C 2.130 177.436 175.328 -0.037 0.000 1.087 25 H CA 1.675 57.748 56.048 0.042 0.000 1.319 25 H CB 0.281 30.046 29.762 0.006 0.000 1.379 25 H HN 0.303 nan 8.280 nan 0.000 0.501 26 A N 1.311 124.076 122.820 -0.091 0.000 1.940 26 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 26 A C 2.785 180.050 177.584 -0.532 0.000 1.176 26 A CA 1.575 53.308 52.037 -0.506 0.000 0.631 26 A CB -0.834 17.969 19.000 -0.329 0.000 0.814 26 A HN 0.474 nan 8.150 nan 0.000 0.446 27 I N -1.328 119.124 120.570 -0.196 0.000 2.179 27 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 27 I C 2.410 178.407 176.117 -0.201 0.000 1.088 27 I CA 1.815 63.019 61.300 -0.160 0.000 1.357 27 I CB -0.529 37.386 38.000 -0.142 0.000 1.051 27 I HN 0.405 nan 8.210 nan 0.000 0.409 28 H N -0.563 118.410 119.070 -0.162 0.000 2.389 28 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 28 H C 2.136 177.362 175.328 -0.170 0.000 1.081 28 H CA 1.321 57.294 56.048 -0.125 0.000 1.345 28 H CB -0.093 29.603 29.762 -0.110 0.000 1.393 28 H HN 0.250 nan 8.280 nan 0.000 0.520 29 Q N 0.175 119.840 119.800 -0.225 0.000 2.016 29 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 29 Q C 1.761 177.760 176.000 -0.003 0.000 0.978 29 Q CA 1.663 57.334 55.803 -0.221 0.000 0.833 29 Q CB -0.452 28.010 28.738 -0.461 0.000 0.895 29 Q HN 0.681 nan 8.270 nan 0.000 0.427 30 Y N -1.179 119.058 120.300 -0.106 0.000 2.181 30 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 30 Y C 2.179 178.004 175.900 -0.125 0.000 1.146 30 Y CA 0.389 58.434 58.100 -0.091 0.000 1.164 30 Y CB -0.036 38.391 38.460 -0.055 0.000 0.982 30 Y HN 0.198 nan 8.280 nan 0.000 0.515 31 M N 0.137 119.723 119.600 -0.024 0.000 2.175 31 M HA -0.228 4.252 4.480 -0.000 0.000 0.264 31 M C 1.893 177.975 176.300 -0.364 0.000 1.063 31 M CA 1.070 56.212 55.300 -0.263 0.000 1.119 31 M CB -1.298 31.143 32.600 -0.264 0.000 1.377 31 M HN 0.378 nan 8.290 nan 0.000 0.415 32 N N 0.646 119.310 118.700 -0.060 0.000 2.069 32 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 32 N C 1.560 177.095 175.510 0.042 0.000 1.031 32 N CA 1.607 54.710 53.050 0.088 0.000 0.852 32 N CB 0.029 38.577 38.487 0.102 0.000 1.018 32 N HN 0.530 nan 8.380 nan 0.000 0.423 33 Q N -0.905 118.904 119.800 0.015 0.000 2.119 33 Q HA -0.181 4.159 4.340 -0.000 0.000 0.201 33 Q C 1.972 177.976 176.000 0.007 0.000 0.972 33 Q CA 1.433 57.240 55.803 0.008 0.000 0.847 33 Q CB -0.330 28.389 28.738 -0.033 0.000 0.903 33 Q HN 0.577 nan 8.270 nan 0.000 0.433 34 H N 0.047 119.037 119.070 -0.134 0.000 2.319 34 H HA -0.204 4.352 4.556 -0.000 0.000 0.297 34 H C 1.410 176.687 175.328 -0.086 0.000 1.097 34 H CA 2.021 57.978 56.048 -0.152 0.000 1.285 34 H CB -0.310 29.274 29.762 -0.296 0.000 1.368 34 H HN 0.362 nan 8.280 nan 0.000 0.495 35 Y N -0.387 119.881 120.300 -0.052 0.000 2.224 35 Y HA -0.192 4.358 4.550 -0.000 0.000 0.289 35 Y C 3.024 178.860 175.900 -0.106 0.000 1.146 35 Y CA 0.706 58.734 58.100 -0.119 0.000 1.182 35 Y CB -0.143 38.320 38.460 0.005 0.000 0.983 35 Y HN 0.214 nan 8.280 nan 0.000 0.524 36 S N 0.440 116.190 115.700 0.083 0.000 2.356 36 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 36 S C 1.992 176.609 174.600 0.029 0.000 1.032 36 S CA 1.177 59.410 58.200 0.055 0.000 1.005 36 S CB -0.516 62.720 63.200 0.060 0.000 0.867 36 S HN 0.321 nan 8.310 nan 0.000 0.449 37 L N 1.086 122.322 121.223 0.021 0.000 2.083 37 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 37 L C 2.336 179.207 176.870 0.003 0.000 1.083 37 L CA 1.146 56.033 54.840 0.078 0.000 0.752 37 L CB -0.493 41.640 42.059 0.124 0.000 0.899 37 L HN 0.215 nan 8.230 nan 0.000 0.433 38 D N -0.018 120.310 120.400 -0.120 0.000 2.117 38 D HA -0.222 4.418 4.640 -0.000 0.000 0.198 38 D C 1.778 178.032 176.300 -0.077 0.000 0.982 38 D CA 1.218 55.141 54.000 -0.128 0.000 0.828 38 D CB 0.016 40.670 40.800 -0.242 0.000 0.967 38 D HN 0.211 nan 8.370 nan 0.000 0.464 39 D N -0.768 119.599 120.400 -0.056 0.000 2.149 39 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 39 D C 1.932 178.180 176.300 -0.086 0.000 0.990 39 D CA 0.914 54.886 54.000 -0.048 0.000 0.839 39 D CB -0.051 40.739 40.800 -0.017 0.000 0.948 39 D HN 0.216 nan 8.370 nan 0.000 0.460 40 M N -0.641 118.893 119.600 -0.111 0.000 2.619 40 M HA -0.006 4.474 4.480 -0.000 0.000 0.251 40 M C 0.205 176.238 176.300 -0.445 0.000 1.106 40 M CA 0.544 55.696 55.300 -0.248 0.000 1.086 40 M CB 0.236 32.716 32.600 -0.201 0.000 1.465 40 M HN -0.116 nan 8.290 nan 0.000 0.506 41 D N 0.103 120.347 120.400 -0.260 0.000 2.746 41 D HA -0.227 4.413 4.640 -0.000 0.000 0.236 41 D C -1.244 174.910 176.300 -0.243 0.000 1.129 41 D CA 0.767 54.637 54.000 -0.217 0.000 0.691 41 D CB -1.450 39.230 40.800 -0.201 0.000 1.077 41 D HN 0.532 nan 8.370 nan 0.000 0.432 42 Y N -0.854 119.446 120.300 0.000 0.000 2.907 42 Y HA 0.427 4.977 4.550 -0.000 0.000 0.332 42 Y C 1.965 177.874 175.900 0.016 0.000 1.211 42 Y CA -0.590 57.511 58.100 0.002 0.000 1.387 42 Y CB 0.860 39.331 38.460 0.019 0.000 1.396 42 Y HN 0.154 nan 8.280 nan 0.000 0.519 43 G N 1.058 109.943 108.800 0.141 0.000 2.586 43 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 43 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 43 G C 1.367 176.331 174.900 0.106 0.000 1.216 43 G CA 1.185 46.342 45.100 0.095 0.000 0.786 43 G HN 0.592 nan 8.290 nan 0.000 0.583 44 E N -0.282 119.972 120.200 0.091 0.000 2.097 44 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 44 E C 2.644 179.320 176.600 0.126 0.000 1.000 44 E CA 0.803 57.252 56.400 0.082 0.000 0.804 44 E CB -0.168 29.561 29.700 0.049 0.000 0.740 44 E HN 0.480 nan 8.360 nan 0.000 0.454 45 L N -0.324 120.994 121.223 0.158 0.000 2.072 45 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 45 L C 2.551 179.574 176.870 0.256 0.000 1.079 45 L CA 0.833 55.818 54.840 0.242 0.000 0.752 45 L CB -0.417 41.785 42.059 0.239 0.000 0.906 45 L HN 0.174 nan 8.230 nan 0.000 0.436 46 A N 0.249 123.195 122.820 0.210 0.000 1.902 46 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 46 A C 2.543 180.309 177.584 0.303 0.000 1.181 46 A CA 1.693 53.864 52.037 0.223 0.000 0.623 46 A CB -0.666 18.376 19.000 0.070 0.000 0.818 46 A HN 0.382 nan 8.150 nan 0.000 0.443 47 A N 0.190 123.120 122.820 0.183 0.000 1.877 47 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 47 A C 1.960 179.558 177.584 0.023 0.000 1.186 47 A CA 1.824 53.922 52.037 0.103 0.000 0.620 47 A CB -0.614 18.423 19.000 0.061 0.000 0.822 47 A HN 0.532 nan 8.150 nan 0.000 0.443 48 N N -1.093 117.618 118.700 0.018 0.000 2.244 48 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 48 N C 1.602 177.038 175.510 -0.124 0.000 1.016 48 N CA 1.607 54.581 53.050 -0.125 0.000 0.866 48 N CB -0.358 37.990 38.487 -0.231 0.000 0.980 48 N HN 0.480 nan 8.380 nan 0.000 0.430 49 M N 1.549 121.178 119.600 0.048 0.000 2.117 49 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 49 M C 1.912 178.169 176.300 -0.070 0.000 1.065 49 M CA 1.595 56.921 55.300 0.042 0.000 1.114 49 M CB -0.182 32.511 32.600 0.154 0.000 1.361 49 M HN -0.049 nan 8.290 nan 0.000 0.408 50 K N -0.426 119.894 120.400 -0.133 0.000 2.057 50 K HA -0.093 4.226 4.320 -0.000 0.000 0.206 50 K C 1.818 178.296 176.600 -0.204 0.000 1.050 50 K CA 1.290 57.386 56.287 -0.317 0.000 0.935 50 K CB -0.241 31.922 32.500 -0.561 0.000 0.715 50 K HN 0.427 nan 8.250 nan 0.000 0.439 51 L N 0.755 121.876 121.223 -0.169 0.000 2.083 51 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 51 L C 2.330 179.093 176.870 -0.178 0.000 1.083 51 L CA 1.136 55.883 54.840 -0.155 0.000 0.752 51 L CB -0.340 41.628 42.059 -0.151 0.000 0.899 51 L HN 0.244 nan 8.230 nan 0.000 0.433 52 I N -0.278 120.144 120.570 -0.248 0.000 2.353 52 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 52 I C 2.772 178.783 176.117 -0.177 0.000 1.119 52 I CA 0.923 62.002 61.300 -0.369 0.000 1.417 52 I CB -0.397 37.235 38.000 -0.614 0.000 1.078 52 I HN 0.169 nan 8.210 nan 0.000 0.421 53 A N 1.036 123.823 122.820 -0.056 0.000 1.933 53 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 53 A C 2.259 179.809 177.584 -0.057 0.000 1.175 53 A CA 1.486 53.540 52.037 0.028 0.000 0.628 53 A CB -0.755 18.239 19.000 -0.010 0.000 0.814 53 A HN 0.395 nan 8.150 nan 0.000 0.444 54 I N -0.212 120.299 120.570 -0.098 0.000 2.315 54 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 54 I C 1.712 177.764 176.117 -0.109 0.000 1.117 54 I CA 1.134 62.377 61.300 -0.095 0.000 1.404 54 I CB -0.384 37.560 38.000 -0.093 0.000 1.071 54 I HN 0.204 nan 8.210 nan 0.000 0.419 55 D N 0.918 121.244 120.400 -0.124 0.000 2.133 55 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 55 D C 2.113 178.150 176.300 -0.438 0.000 0.997 55 D CA 1.169 55.045 54.000 -0.206 0.000 0.840 55 D CB -0.228 40.555 40.800 -0.029 0.000 0.947 55 D HN 0.346 nan 8.370 nan 0.000 0.452 56 E N 0.057 120.127 120.200 -0.216 0.000 2.150 56 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 56 E C 2.266 178.847 176.600 -0.031 0.000 0.985 56 E CA 0.363 56.704 56.400 -0.098 0.000 0.814 56 E CB -0.307 29.439 29.700 0.075 0.000 0.752 56 E HN 0.425 nan 8.360 nan 0.000 0.466 57 M N 0.379 119.948 119.600 -0.053 0.000 2.080 57 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 57 M C 2.539 178.827 176.300 -0.021 0.000 1.068 57 M CA 1.522 56.806 55.300 -0.027 0.000 1.109 57 M CB -0.305 32.267 32.600 -0.046 0.000 1.342 57 M HN -0.025 nan 8.290 nan 0.000 0.405 58 R N -0.351 120.108 120.500 -0.068 0.000 2.096 58 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 58 R C 1.867 178.170 176.300 0.005 0.000 1.127 58 R CA 1.709 57.783 56.100 -0.043 0.000 0.968 58 R CB -0.287 29.978 30.300 -0.058 0.000 0.861 58 R HN 0.554 nan 8.270 nan 0.000 0.440 59 H N -0.751 118.276 119.070 -0.072 0.000 2.357 59 H HA -0.047 4.509 4.556 -0.000 0.000 0.301 59 H C 2.114 177.333 175.328 -0.182 0.000 1.082 59 H CA 0.766 56.682 56.048 -0.220 0.000 1.342 59 H CB 0.028 29.763 29.762 -0.045 0.000 1.389 59 H HN 0.396 nan 8.280 nan 0.000 0.511 60 A N 1.146 124.073 122.820 0.178 0.000 1.908 60 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 60 A C 2.203 179.861 177.584 0.124 0.000 1.181 60 A CA 1.921 54.088 52.037 0.217 0.000 0.627 60 A CB -0.458 18.644 19.000 0.169 0.000 0.818 60 A HN 0.553 nan 8.150 nan 0.000 0.445 61 E N -0.112 120.116 120.200 0.046 0.000 2.047 61 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 61 E C 1.661 178.251 176.600 -0.017 0.000 0.987 61 E CA 1.301 57.711 56.400 0.017 0.000 0.799 61 E CB -0.158 29.542 29.700 -0.000 0.000 0.752 61 E HN 0.599 nan 8.360 nan 0.000 0.449 62 N N 0.163 118.806 118.700 -0.096 0.000 2.166 62 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 62 N C 1.746 177.171 175.510 -0.142 0.000 1.019 62 N CA 1.067 54.018 53.050 -0.164 0.000 0.856 62 N CB -0.534 37.785 38.487 -0.280 0.000 0.993 62 N HN 0.254 nan 8.380 nan 0.000 0.426 63 F N 1.507 121.405 119.950 -0.086 0.000 2.102 63 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 63 F C 2.542 178.295 175.800 -0.077 0.000 1.105 63 F CA 0.775 58.697 58.000 -0.130 0.000 1.239 63 F CB -0.204 38.723 39.000 -0.122 0.000 0.991 63 F HN 0.043 nan 8.300 nan 0.000 0.474 64 A N 0.220 123.128 122.820 0.148 0.000 1.908 64 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 64 A C 1.974 179.583 177.584 0.042 0.000 1.181 64 A CA 1.928 54.012 52.037 0.078 0.000 0.627 64 A CB -0.783 18.255 19.000 0.064 0.000 0.818 64 A HN 0.451 nan 8.150 nan 0.000 0.445 65 E N -1.064 119.150 120.200 0.025 0.000 2.077 65 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 65 E C 2.289 178.892 176.600 0.006 0.000 0.989 65 E CA 1.269 57.673 56.400 0.006 0.000 0.800 65 E CB -0.133 29.561 29.700 -0.010 0.000 0.746 65 E HN 0.454 nan 8.360 nan 0.000 0.452 66 R N 1.287 121.794 120.500 0.011 0.000 2.092 66 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 66 R C 1.990 178.299 176.300 0.014 0.000 1.119 66 R CA 1.054 57.160 56.100 0.010 0.000 0.970 66 R CB -0.492 29.816 30.300 0.013 0.000 0.864 66 R HN 0.152 nan 8.270 nan 0.000 0.440 67 I N 0.751 121.334 120.570 0.021 0.000 2.208 67 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 67 I C 1.941 178.061 176.117 0.005 0.000 1.097 67 I CA 1.325 62.630 61.300 0.008 0.000 1.363 67 I CB -0.216 37.788 38.000 0.006 0.000 1.051 67 I HN 0.069 nan 8.210 nan 0.000 0.413 68 K N 0.696 121.101 120.400 0.008 0.000 2.057 68 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 68 K C 1.909 178.510 176.600 0.003 0.000 1.050 68 K CA 1.289 57.578 56.287 0.005 0.000 0.935 68 K CB -0.420 32.083 32.500 0.006 0.000 0.715 68 K HN 0.419 nan 8.250 nan 0.000 0.439 69 E N 0.598 120.799 120.200 0.003 0.000 2.209 69 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 69 E C 1.609 178.210 176.600 0.002 0.000 0.993 69 E CA 0.675 57.077 56.400 0.002 0.000 0.819 69 E CB -0.004 29.697 29.700 0.001 0.000 0.745 69 E HN 0.197 nan 8.360 nan 0.000 0.477 70 L N -0.832 120.393 121.223 0.003 0.000 2.592 70 L HA 0.166 4.506 4.340 -0.000 0.000 0.227 70 L C 1.232 178.102 176.870 -0.001 0.000 1.127 70 L CA 0.308 55.149 54.840 0.002 0.000 0.884 70 L CB 0.299 42.359 42.059 0.002 0.000 1.065 70 L HN 0.280 nan 8.230 nan 0.000 0.457 71 G N -0.020 108.779 108.800 -0.001 0.000 2.141 71 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 71 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 71 G C 0.468 175.365 174.900 -0.004 0.000 0.982 71 G CA -0.089 45.010 45.100 -0.002 0.000 0.662 71 G HN 0.499 nan 8.290 nan 0.000 0.527 72 G N -0.802 107.995 108.800 -0.005 0.000 2.557 72 G HA2 0.616 4.576 3.960 -0.000 0.000 0.302 72 G HA3 0.616 4.576 3.960 -0.000 0.000 0.302 72 G C -0.475 174.422 174.900 -0.005 0.000 1.311 72 G CA 0.089 45.184 45.100 -0.008 0.000 1.030 72 G HN 0.440 nan 8.290 nan 0.000 0.509 73 E N 0.081 120.277 120.200 -0.007 0.000 2.165 73 E HA 0.503 4.853 4.350 -0.000 0.000 0.266 73 E C -2.464 174.135 176.600 -0.002 0.000 0.889 73 E CA -2.132 54.266 56.400 -0.003 0.000 0.756 73 E CB 1.716 31.414 29.700 -0.003 0.000 1.131 73 E HN 0.095 nan 8.360 nan 0.000 0.411 74 P HA 0.082 nan 4.420 nan 0.000 0.271 74 P C -0.417 176.891 177.300 0.014 0.000 1.216 74 P CA -0.317 62.791 63.100 0.013 0.000 0.771 74 P CB 0.925 32.642 31.700 0.028 0.000 0.864 75 T N 1.163 115.724 114.554 0.010 0.000 2.903 75 T HA 0.165 4.515 4.350 -0.000 0.000 0.314 75 T C 1.160 175.879 174.700 0.031 0.000 1.078 75 T CA 0.566 62.674 62.100 0.014 0.000 1.114 75 T CB -0.062 68.811 68.868 0.007 0.000 0.987 75 T HN 0.576 nan 8.240 nan 0.000 0.548 76 T N 0.812 115.383 114.554 0.028 0.000 3.085 76 T HA 0.254 4.604 4.350 -0.000 0.000 0.264 76 T C 0.179 174.901 174.700 0.035 0.000 1.019 76 T CA -0.548 61.574 62.100 0.038 0.000 0.910 76 T CB 0.062 68.947 68.868 0.030 0.000 1.059 76 T HN 0.687 nan 8.240 nan 0.000 0.542 77 Q N 2.198 122.015 119.800 0.027 0.000 2.271 77 Q HA 0.514 4.854 4.340 -0.000 0.000 0.258 77 Q C -0.389 175.630 176.000 0.031 0.000 0.936 77 Q CA -1.009 54.805 55.803 0.017 0.000 0.909 77 Q CB 1.228 29.971 28.738 0.008 0.000 1.253 77 Q HN 0.437 nan 8.270 nan 0.000 0.440 78 K N 0.634 121.046 120.400 0.020 0.000 2.154 78 K HA 0.312 4.631 4.320 -0.000 0.000 0.264 78 K C -0.602 176.033 176.600 0.057 0.000 1.008 78 K CA -0.718 55.604 56.287 0.058 0.000 0.937 78 K CB 0.888 33.401 32.500 0.023 0.000 1.002 78 K HN 0.614 nan 8.250 nan 0.000 0.469 79 E N 1.325 121.572 120.200 0.078 0.000 2.089 79 E HA 0.370 4.720 4.350 -0.000 0.000 0.284 79 E C 0.035 176.598 176.600 -0.061 0.000 1.023 79 E CA 0.531 56.941 56.400 0.017 0.000 0.819 79 E CB 0.365 30.076 29.700 0.018 0.000 1.076 79 E HN 0.879 nan 8.360 nan 0.000 0.396 80 G N 3.461 112.236 108.800 -0.042 0.000 2.582 80 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.222 80 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.222 80 G C -1.128 173.797 174.900 0.042 0.000 1.311 80 G CA -0.370 44.681 45.100 -0.081 0.000 0.915 80 G HN 0.650 nan 8.290 nan 0.000 0.528 81 K N -0.408 120.027 120.400 0.059 0.000 2.207 81 K HA 0.636 4.956 4.320 -0.000 0.000 0.255 81 K C -0.146 176.597 176.600 0.239 0.000 0.941 81 K CA -0.696 55.663 56.287 0.120 0.000 0.825 81 K CB 1.837 34.371 32.500 0.056 0.000 1.119 81 K HN 0.545 nan 8.250 nan 0.000 0.430 82 V N 4.176 124.167 119.914 0.128 0.000 2.432 82 V HA 0.122 4.242 4.120 -0.000 0.000 0.271 82 V C 0.007 176.133 176.094 0.053 0.000 1.046 82 V CA -0.712 61.617 62.300 0.047 0.000 0.945 82 V CB 1.297 33.097 31.823 -0.038 0.000 0.992 82 V HN 0.461 nan 8.190 nan 0.000 0.471 83 V N 5.629 125.577 119.914 0.056 0.000 2.461 83 V HA 0.380 4.500 4.120 -0.000 0.000 0.275 83 V C 0.686 176.799 176.094 0.032 0.000 1.047 83 V CA -0.186 62.140 62.300 0.043 0.000 0.955 83 V CB 1.453 33.301 31.823 0.042 0.000 0.988 83 V HN 1.060 nan 8.190 nan 0.000 0.471 84 T N 0.888 115.461 114.554 0.033 0.000 2.948 84 T HA 0.644 4.994 4.350 -0.000 0.000 0.285 84 T C 0.923 175.642 174.700 0.032 0.000 1.019 84 T CA 0.021 62.144 62.100 0.037 0.000 1.013 84 T CB 1.593 70.486 68.868 0.041 0.000 1.117 84 T HN 1.697 nan 8.240 nan 0.000 0.533 85 G N 1.053 109.875 108.800 0.037 0.000 2.249 85 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.273 85 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.273 85 G C -0.157 174.761 174.900 0.030 0.000 1.036 85 G CA 0.332 45.452 45.100 0.034 0.000 0.824 85 G HN 0.978 nan 8.290 nan 0.000 0.504 86 Q N -0.111 119.704 119.800 0.024 0.000 2.304 86 Q HA 0.615 4.955 4.340 -0.000 0.000 0.260 86 Q C 0.846 176.862 176.000 0.027 0.000 0.965 86 Q CA 0.132 55.944 55.803 0.016 0.000 0.898 86 Q CB 1.195 29.929 28.738 -0.007 0.000 1.196 86 Q HN 0.720 nan 8.270 nan 0.000 0.402 87 A N 2.317 125.159 122.820 0.036 0.000 2.386 87 A HA 0.095 4.415 4.320 -0.000 0.000 0.246 87 A C 1.228 178.855 177.584 0.072 0.000 1.089 87 A CA -0.512 51.562 52.037 0.061 0.000 0.790 87 A CB 0.294 19.330 19.000 0.060 0.000 1.042 87 A HN 0.718 nan 8.150 nan 0.000 0.497 88 V N 1.647 121.633 119.914 0.121 0.000 2.250 88 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 88 V C -0.413 175.806 176.094 0.207 0.000 1.060 88 V CA 2.872 65.284 62.300 0.185 0.000 1.030 88 V CB -1.734 30.203 31.823 0.191 0.000 0.643 88 V HN 0.828 nan 8.190 nan 0.000 0.445 89 P HA -0.085 nan 4.420 nan 0.000 0.218 89 P C 1.842 179.194 177.300 0.086 0.000 1.148 89 P CA 1.135 64.311 63.100 0.126 0.000 0.822 89 P CB -0.045 31.699 31.700 0.073 0.000 0.784 90 V N -0.645 119.296 119.914 0.045 0.000 2.453 90 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 90 V C 2.304 178.362 176.094 -0.060 0.000 1.048 90 V CA 1.262 63.563 62.300 0.002 0.000 1.049 90 V CB -0.936 30.889 31.823 0.004 0.000 0.672 90 V HN 0.047 nan 8.190 nan 0.000 0.457 91 I N -0.755 119.746 120.570 -0.114 0.000 2.118 91 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 91 I C 2.349 178.161 176.117 -0.508 0.000 1.070 91 I CA 2.203 63.299 61.300 -0.340 0.000 1.327 91 I CB -0.425 37.279 38.000 -0.493 0.000 1.034 91 I HN 0.300 nan 8.210 nan 0.000 0.405 92 Y N 0.347 120.599 120.300 -0.080 0.000 2.395 92 Y HA -0.106 4.444 4.550 -0.000 0.000 0.293 92 Y C 2.592 178.431 175.900 -0.101 0.000 1.123 92 Y CA 0.510 58.545 58.100 -0.109 0.000 1.227 92 Y CB -0.137 38.293 38.460 -0.051 0.000 1.012 92 Y HN 0.100 nan 8.280 nan 0.000 0.552 93 E N -0.024 120.192 120.200 0.026 0.000 2.047 93 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 93 E C 2.370 178.950 176.600 -0.033 0.000 0.987 93 E CA 1.543 57.946 56.400 0.005 0.000 0.799 93 E CB -0.522 29.182 29.700 0.007 0.000 0.752 93 E HN 0.480 nan 8.360 nan 0.000 0.449 94 S N 0.951 116.611 115.700 -0.067 0.000 2.387 94 S HA -0.105 4.365 4.470 -0.000 0.000 0.226 94 S C 1.507 176.056 174.600 -0.085 0.000 1.026 94 S CA 1.026 59.192 58.200 -0.056 0.000 0.972 94 S CB -0.099 63.076 63.200 -0.042 0.000 0.814 94 S HN -0.005 nan 8.310 nan 0.000 0.477 95 D N 2.498 122.755 120.400 -0.238 0.000 2.117 95 D HA 0.140 4.780 4.640 -0.000 0.000 0.198 95 D C 2.298 178.477 176.300 -0.203 0.000 0.982 95 D CA 1.361 55.119 54.000 -0.404 0.000 0.828 95 D CB -0.724 39.289 40.800 -1.311 0.000 0.967 95 D HN 0.525 nan 8.370 nan 0.000 0.464 96 A N 1.153 123.920 122.820 -0.088 0.000 1.908 96 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 96 A C 1.852 179.480 177.584 0.072 0.000 1.181 96 A CA 1.822 53.919 52.037 0.099 0.000 0.627 96 A CB -0.489 18.570 19.000 0.097 0.000 0.818 96 A HN 0.035 nan 8.150 nan 0.000 0.445 97 D N -1.032 119.384 120.400 0.028 0.000 2.117 97 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 97 D C 2.082 178.403 176.300 0.034 0.000 0.987 97 D CA 1.591 55.605 54.000 0.024 0.000 0.829 97 D CB -0.378 40.427 40.800 0.007 0.000 0.961 97 D HN 0.703 nan 8.370 nan 0.000 0.460 98 Q N 0.302 120.133 119.800 0.051 0.000 2.084 98 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 98 Q C 1.791 177.851 176.000 0.100 0.000 0.978 98 Q CA 1.151 57.000 55.803 0.077 0.000 0.844 98 Q CB 0.215 29.033 28.738 0.134 0.000 0.898 98 Q HN 0.133 nan 8.270 nan 0.000 0.426 99 E N 0.788 121.089 120.200 0.168 0.000 2.110 99 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 99 E C 1.674 178.321 176.600 0.079 0.000 0.988 99 E CA 1.161 57.676 56.400 0.192 0.000 0.804 99 E CB -0.291 29.601 29.700 0.320 0.000 0.745 99 E HN 0.541 nan 8.360 nan 0.000 0.458 100 D N 0.654 121.093 120.400 0.064 0.000 2.097 100 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 100 D C 1.839 178.124 176.300 -0.024 0.000 0.989 100 D CA 1.391 55.404 54.000 0.021 0.000 0.827 100 D CB 0.200 41.013 40.800 0.022 0.000 0.966 100 D HN 0.061 nan 8.370 nan 0.000 0.456 101 A N 0.154 122.957 122.820 -0.028 0.000 1.933 101 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 101 A C 2.427 179.936 177.584 -0.125 0.000 1.175 101 A CA 2.113 54.112 52.037 -0.063 0.000 0.628 101 A CB -0.918 18.054 19.000 -0.047 0.000 0.814 101 A HN 0.317 nan 8.150 nan 0.000 0.444 102 T N 0.302 114.768 114.554 -0.147 0.000 2.708 102 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 102 T C 1.785 176.204 174.700 -0.467 0.000 1.037 102 T CA 1.522 63.408 62.100 -0.356 0.000 1.146 102 T CB -0.392 68.288 68.868 -0.314 0.000 0.865 102 T HN 0.436 nan 8.240 nan 0.000 0.435 103 I N 0.759 121.193 120.570 -0.227 0.000 2.226 103 I HA -0.137 4.033 4.170 -0.000 0.000 0.245 103 I C 2.837 178.892 176.117 -0.103 0.000 1.100 103 I CA 1.075 62.305 61.300 -0.117 0.000 1.374 103 I CB -0.303 37.678 38.000 -0.031 0.000 1.057 103 I HN 0.151 nan 8.210 nan 0.000 0.413 104 E N 1.015 121.144 120.200 -0.119 0.000 2.058 104 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 104 E C 2.294 178.772 176.600 -0.203 0.000 0.997 104 E CA 1.692 58.018 56.400 -0.123 0.000 0.801 104 E CB -0.202 29.436 29.700 -0.102 0.000 0.746 104 E HN 0.487 nan 8.360 nan 0.000 0.450 105 A N 0.328 122.983 122.820 -0.276 0.000 1.898 105 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 105 A C 2.081 179.208 177.584 -0.762 0.000 1.181 105 A CA 1.188 52.917 52.037 -0.513 0.000 0.620 105 A CB -0.773 17.983 19.000 -0.407 0.000 0.819 105 A HN 0.228 nan 8.150 nan 0.000 0.442 106 Y N 1.004 120.982 120.300 -0.537 0.000 2.224 106 Y HA -0.116 4.434 4.550 -0.000 0.000 0.289 106 Y C 2.975 178.638 175.900 -0.395 0.000 1.146 106 Y CA 0.668 58.534 58.100 -0.390 0.000 1.182 106 Y CB -1.092 37.423 38.460 0.092 0.000 0.983 106 Y HN 0.296 nan 8.280 nan 0.000 0.524 107 S N -0.220 115.420 115.700 -0.100 0.000 2.382 107 S HA -0.239 4.231 4.470 -0.000 0.000 0.228 107 S C 1.941 176.440 174.600 -0.169 0.000 1.027 107 S CA 1.330 59.471 58.200 -0.099 0.000 0.991 107 S CB -0.291 62.871 63.200 -0.064 0.000 0.823 107 S HN 0.544 nan 8.310 nan 0.000 0.469 108 Q N 0.056 119.694 119.800 -0.269 0.000 2.079 108 Q HA 0.020 4.360 4.340 -0.000 0.000 0.200 108 Q C 1.763 177.669 176.000 -0.157 0.000 0.974 108 Q CA 1.414 57.081 55.803 -0.226 0.000 0.840 108 Q CB -0.285 28.282 28.738 -0.285 0.000 0.898 108 Q HN 0.613 nan 8.270 nan 0.000 0.430 109 F N 0.170 119.924 119.950 -0.327 0.000 2.234 109 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 109 F C 2.167 177.606 175.800 -0.601 0.000 1.087 109 F CA 0.087 57.756 58.000 -0.552 0.000 1.340 109 F CB -0.041 38.368 39.000 -0.986 0.000 1.031 109 F HN 0.125 nan 8.300 nan 0.000 0.500 110 L N 0.714 121.701 121.223 -0.392 0.000 2.046 110 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 110 L C 2.549 179.382 176.870 -0.063 0.000 1.077 110 L CA 1.620 56.349 54.840 -0.185 0.000 0.747 110 L CB -0.366 41.648 42.059 -0.074 0.000 0.896 110 L HN 0.126 nan 8.230 nan 0.000 0.432 111 K N -0.774 119.587 120.400 -0.064 0.000 2.032 111 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 111 K C 1.881 178.473 176.600 -0.012 0.000 1.048 111 K CA 1.779 58.049 56.287 -0.028 0.000 0.927 111 K CB -0.022 32.459 32.500 -0.032 0.000 0.712 111 K HN 0.187 nan 8.250 nan 0.000 0.441 112 V N 0.593 120.500 119.914 -0.012 0.000 2.343 112 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 112 V C 2.431 178.530 176.094 0.008 0.000 1.051 112 V CA 1.709 64.010 62.300 0.002 0.000 1.036 112 V CB -0.463 31.366 31.823 0.009 0.000 0.654 112 V HN 0.526 nan 8.190 nan 0.000 0.451 113 C N -0.009 119.300 119.300 0.016 0.000 2.413 113 C HA -0.185 4.275 4.460 -0.000 0.000 0.276 113 C C 2.747 177.762 174.990 0.042 0.000 1.236 113 C CA 1.113 60.163 59.018 0.053 0.000 1.735 113 C CB -1.043 26.768 27.740 0.117 0.000 2.031 113 C HN 0.547 nan 8.230 nan 0.000 0.474 114 K N 0.583 121.002 120.400 0.032 0.000 2.097 114 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 114 K C 1.814 178.425 176.600 0.018 0.000 1.050 114 K CA 1.270 57.573 56.287 0.026 0.000 0.938 114 K CB -0.298 32.215 32.500 0.022 0.000 0.718 114 K HN 0.593 nan 8.250 nan 0.000 0.442 115 E N 0.669 120.877 120.200 0.013 0.000 2.204 115 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 115 E C 1.590 178.197 176.600 0.010 0.000 0.990 115 E CA 0.798 57.203 56.400 0.009 0.000 0.821 115 E CB 0.211 29.915 29.700 0.005 0.000 0.750 115 E HN 0.201 nan 8.360 nan 0.000 0.477 116 Q N -0.828 118.980 119.800 0.014 0.000 2.280 116 Q HA 0.115 4.455 4.340 -0.000 0.000 0.201 116 Q C 0.828 176.838 176.000 0.016 0.000 0.890 116 Q CA 0.599 56.410 55.803 0.013 0.000 0.947 116 Q CB 1.230 29.975 28.738 0.013 0.000 1.081 116 Q HN 0.354 nan 8.270 nan 0.000 0.502 117 G N 2.220 111.031 108.800 0.019 0.000 2.221 117 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.265 117 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.265 117 G C -0.335 174.580 174.900 0.025 0.000 1.041 117 G CA 0.419 45.530 45.100 0.020 0.000 0.807 117 G HN 0.297 nan 8.290 nan 0.000 0.502 118 D N 0.441 120.862 120.400 0.034 0.000 2.505 118 D HA 0.401 5.041 4.640 -0.000 0.000 0.242 118 D C 1.772 178.103 176.300 0.053 0.000 1.136 118 D CA -0.884 53.141 54.000 0.042 0.000 0.954 118 D CB -0.033 40.797 40.800 0.050 0.000 1.002 118 D HN 0.017 nan 8.370 nan 0.000 0.512 119 I N 2.335 122.930 120.570 0.041 0.000 2.252 119 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 119 I C 2.410 178.554 176.117 0.046 0.000 1.102 119 I CA 0.617 61.943 61.300 0.042 0.000 1.385 119 I CB -0.904 37.114 38.000 0.029 0.000 1.064 119 I HN 0.233 nan 8.210 nan 0.000 0.414 120 V N 0.869 120.805 119.914 0.037 0.000 2.287 120 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 120 V C 2.546 178.665 176.094 0.041 0.000 1.053 120 V CA 2.419 64.737 62.300 0.029 0.000 1.027 120 V CB -1.226 30.608 31.823 0.018 0.000 0.646 120 V HN 0.426 nan 8.190 nan 0.000 0.447 121 T N 0.224 114.817 114.554 0.064 0.000 2.821 121 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 121 T C 2.071 176.888 174.700 0.194 0.000 1.046 121 T CA 1.336 63.496 62.100 0.100 0.000 1.139 121 T CB -0.404 68.542 68.868 0.130 0.000 0.871 121 T HN 0.557 nan 8.240 nan 0.000 0.454 122 A N 2.092 125.022 122.820 0.183 0.000 1.940 122 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 122 A C 2.404 180.090 177.584 0.170 0.000 1.176 122 A CA 1.182 53.341 52.037 0.203 0.000 0.631 122 A CB -0.364 18.706 19.000 0.118 0.000 0.814 122 A HN 0.193 nan 8.150 nan 0.000 0.446 123 R N -1.082 119.478 120.500 0.099 0.000 2.092 123 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 123 R C 2.044 178.368 176.300 0.040 0.000 1.119 123 R CA 1.180 57.318 56.100 0.062 0.000 0.970 123 R CB -1.173 29.146 30.300 0.033 0.000 0.864 123 R HN 0.542 nan 8.270 nan 0.000 0.440 124 L N 0.234 121.463 121.223 0.010 0.000 1.989 124 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 124 L C 2.021 178.833 176.870 -0.098 0.000 1.071 124 L CA 1.721 56.503 54.840 -0.096 0.000 0.749 124 L CB -0.798 41.162 42.059 -0.165 0.000 0.890 124 L HN 0.006 nan 8.230 nan 0.000 0.431 125 F N 0.048 120.030 119.950 0.053 0.000 2.171 125 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 125 F C 2.449 178.283 175.800 0.057 0.000 1.090 125 F CA 1.544 59.588 58.000 0.073 0.000 1.293 125 F CB -0.171 38.880 39.000 0.085 0.000 1.013 125 F HN 0.213 nan 8.300 nan 0.000 0.486 126 E N -0.193 120.135 120.200 0.213 0.000 2.051 126 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 126 E C 2.286 178.932 176.600 0.077 0.000 0.991 126 E CA 1.002 57.480 56.400 0.130 0.000 0.799 126 E CB -0.133 29.621 29.700 0.089 0.000 0.748 126 E HN 0.345 nan 8.360 nan 0.000 0.449 127 R N 0.302 120.821 120.500 0.031 0.000 2.081 127 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 127 R C 2.386 178.664 176.300 -0.037 0.000 1.131 127 R CA 1.142 57.236 56.100 -0.010 0.000 0.960 127 R CB -0.226 30.049 30.300 -0.041 0.000 0.856 127 R HN 0.205 nan 8.270 nan 0.000 0.436 128 I N 0.386 120.905 120.570 -0.086 0.000 2.315 128 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 128 I C 2.131 178.248 176.117 -0.001 0.000 1.117 128 I CA 1.103 62.278 61.300 -0.208 0.000 1.404 128 I CB -0.106 37.635 38.000 -0.431 0.000 1.071 128 I HN 0.156 nan 8.210 nan 0.000 0.419 129 I N 0.707 121.365 120.570 0.147 0.000 2.286 129 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 129 I C 2.345 178.503 176.117 0.069 0.000 1.115 129 I CA 1.506 62.910 61.300 0.172 0.000 1.392 129 I CB -0.324 37.793 38.000 0.196 0.000 1.065 129 I HN 0.259 nan 8.210 nan 0.000 0.418 130 E N 0.531 120.755 120.200 0.039 0.000 2.106 130 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 130 E C 2.001 178.586 176.600 -0.026 0.000 0.984 130 E CA 1.069 57.475 56.400 0.011 0.000 0.806 130 E CB -0.097 29.610 29.700 0.010 0.000 0.750 130 E HN 0.567 nan 8.360 nan 0.000 0.458 131 E N 0.794 120.969 120.200 -0.042 0.000 2.106 131 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 131 E C 1.984 178.392 176.600 -0.320 0.000 0.984 131 E CA 0.656 56.982 56.400 -0.123 0.000 0.806 131 E CB 0.062 29.772 29.700 0.016 0.000 0.750 131 E HN 0.206 nan 8.360 nan 0.000 0.458 132 E N 0.889 121.011 120.200 -0.131 0.000 2.110 132 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 132 E C 2.033 178.623 176.600 -0.017 0.000 0.988 132 E CA 0.988 57.353 56.400 -0.058 0.000 0.804 132 E CB -0.177 29.576 29.700 0.088 0.000 0.745 132 E HN 0.178 nan 8.360 nan 0.000 0.458 133 Q N 1.008 120.801 119.800 -0.012 0.000 2.124 133 Q HA -0.056 4.284 4.340 -0.000 0.000 0.202 133 Q C 1.976 177.988 176.000 0.020 0.000 0.977 133 Q CA 1.835 57.649 55.803 0.020 0.000 0.850 133 Q CB -0.391 28.357 28.738 0.016 0.000 0.901 133 Q HN 0.228 nan 8.270 nan 0.000 0.429 134 A N -0.511 122.291 122.820 -0.031 0.000 1.902 134 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 134 A C 1.814 179.446 177.584 0.080 0.000 1.181 134 A CA 1.703 53.741 52.037 0.002 0.000 0.623 134 A CB -0.996 17.985 19.000 -0.032 0.000 0.818 134 A HN 0.698 nan 8.150 nan 0.000 0.443 135 H N -1.372 117.704 119.070 0.010 0.000 2.319 135 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 135 H C 2.097 177.415 175.328 -0.016 0.000 1.092 135 H CA 1.164 57.163 56.048 -0.081 0.000 1.302 135 H CB -0.115 29.666 29.762 0.032 0.000 1.373 135 H HN 0.428 nan 8.280 nan 0.000 0.497 136 L N 0.765 122.136 121.223 0.247 0.000 2.012 136 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 136 L C 2.190 179.157 176.870 0.163 0.000 1.073 136 L CA 1.887 56.872 54.840 0.242 0.000 0.748 136 L CB -0.896 41.261 42.059 0.164 0.000 0.891 136 L HN 0.125 nan 8.230 nan 0.000 0.431 137 T N -1.209 113.410 114.554 0.107 0.000 2.720 137 T HA -0.265 4.085 4.350 -0.000 0.000 0.268 137 T C 1.638 176.373 174.700 0.059 0.000 1.037 137 T CA 1.935 64.076 62.100 0.067 0.000 1.144 137 T CB -0.601 68.301 68.868 0.056 0.000 0.864 137 T HN 0.547 nan 8.240 nan 0.000 0.444 138 Y N 0.759 121.033 120.300 -0.044 0.000 2.097 138 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 138 Y C 2.085 177.970 175.900 -0.025 0.000 1.152 138 Y CA 1.164 59.207 58.100 -0.095 0.000 1.136 138 Y CB -0.781 37.546 38.460 -0.222 0.000 0.975 138 Y HN 0.352 nan 8.280 nan 0.000 0.498 139 Y N 0.325 120.601 120.300 -0.041 0.000 2.224 139 Y HA -0.225 4.325 4.550 -0.000 0.000 0.289 139 Y C 2.543 178.385 175.900 -0.096 0.000 1.146 139 Y CA 1.245 59.317 58.100 -0.046 0.000 1.182 139 Y CB -0.183 38.347 38.460 0.116 0.000 0.983 139 Y HN 0.235 nan 8.280 nan 0.000 0.524 140 E N -0.012 120.233 120.200 0.075 0.000 2.106 140 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 140 E C 1.768 178.268 176.600 -0.165 0.000 0.984 140 E CA 0.867 57.254 56.400 -0.022 0.000 0.806 140 E CB -0.098 29.600 29.700 -0.003 0.000 0.750 140 E HN 0.468 nan 8.360 nan 0.000 0.458 141 N N 0.822 119.386 118.700 -0.227 0.000 2.106 141 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 141 N C 1.833 177.004 175.510 -0.566 0.000 1.029 141 N CA 0.874 53.699 53.050 -0.376 0.000 0.848 141 N CB -0.179 38.170 38.487 -0.230 0.000 1.007 141 N HN 0.120 nan 8.380 nan 0.000 0.423 142 I N 0.827 121.106 120.570 -0.485 0.000 2.163 142 I HA -0.142 4.028 4.170 -0.000 0.000 0.243 142 I C 2.420 178.274 176.117 -0.438 0.000 1.085 142 I CA 1.246 62.242 61.300 -0.507 0.000 1.347 142 I CB -1.822 35.634 38.000 -0.907 0.000 1.044 142 I HN 0.113 nan 8.210 nan 0.000 0.408 143 G N -0.064 108.565 108.800 -0.286 0.000 2.442 143 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 143 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 143 G C 1.878 176.661 174.900 -0.196 0.000 1.141 143 G CA 1.240 46.264 45.100 -0.126 0.000 0.763 143 G HN 0.443 nan 8.290 nan 0.000 0.554 144 S N -0.165 115.351 115.700 -0.306 0.000 2.368 144 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 144 S C 2.232 176.618 174.600 -0.357 0.000 1.030 144 S CA 1.526 59.530 58.200 -0.327 0.000 0.999 144 S CB -0.424 62.540 63.200 -0.393 0.000 0.844 144 S HN 0.562 nan 8.310 nan 0.000 0.459 145 H N 0.622 119.462 119.070 -0.383 0.000 2.428 145 H HA 0.138 4.694 4.556 -0.000 0.000 0.296 145 H C 2.160 177.200 175.328 -0.480 0.000 1.062 145 H CA 1.251 56.935 56.048 -0.606 0.000 1.350 145 H CB -0.498 28.481 29.762 -1.305 0.000 1.403 145 H HN 0.437 nan 8.280 nan 0.000 0.533 146 I N 0.665 121.099 120.570 -0.226 0.000 2.315 146 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 146 I C 2.479 178.570 176.117 -0.044 0.000 1.117 146 I CA 1.082 62.342 61.300 -0.066 0.000 1.404 146 I CB -0.060 37.933 38.000 -0.012 0.000 1.071 146 I HN 0.092 nan 8.210 nan 0.000 0.419 147 K N 0.636 120.996 120.400 -0.066 0.000 2.057 147 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 147 K C 1.477 178.052 176.600 -0.041 0.000 1.050 147 K CA 1.747 58.007 56.287 -0.045 0.000 0.935 147 K CB -0.051 32.413 32.500 -0.059 0.000 0.715 147 K HN 0.349 nan 8.250 nan 0.000 0.439 148 N N -0.830 117.834 118.700 -0.059 0.000 2.322 148 N HA 0.135 4.875 4.740 -0.000 0.000 0.181 148 N C -0.211 175.280 175.510 -0.032 0.000 1.088 148 N CA 0.076 53.101 53.050 -0.042 0.000 0.885 148 N CB 0.586 39.046 38.487 -0.045 0.000 1.013 148 N HN -0.058 nan 8.380 nan 0.000 0.472 149 L N -1.120 120.079 121.223 -0.040 0.000 2.256 149 L HA 0.679 5.019 4.340 -0.000 0.000 0.261 149 L C 0.668 177.548 176.870 0.018 0.000 1.022 149 L CA -1.299 53.530 54.840 -0.019 0.000 0.828 149 L CB 1.454 43.485 42.059 -0.048 0.000 1.374 149 L HN -0.053 nan 8.230 nan 0.000 0.436 150 G N -1.340 107.482 108.800 0.036 0.000 2.642 150 G HA2 0.187 4.147 3.960 -0.000 0.000 0.291 150 G HA3 0.187 4.147 3.960 -0.000 0.000 0.291 150 G C -0.023 174.922 174.900 0.074 0.000 1.345 150 G CA -0.233 44.895 45.100 0.048 0.000 1.043 150 G HN 0.634 nan 8.290 nan 0.000 0.528 151 D N -0.489 119.945 120.400 0.057 0.000 2.254 151 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 151 D C 2.560 178.885 176.300 0.042 0.000 0.998 151 D CA 1.688 55.719 54.000 0.051 0.000 0.885 151 D CB -0.196 40.630 40.800 0.043 0.000 0.915 151 D HN 0.296 nan 8.370 nan 0.000 0.460 152 T N -0.291 114.290 114.554 0.045 0.000 2.759 152 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 152 T C 1.653 176.376 174.700 0.038 0.000 1.042 152 T CA 1.052 63.172 62.100 0.033 0.000 1.140 152 T CB -0.401 68.485 68.868 0.030 0.000 0.864 152 T HN 0.255 nan 8.240 nan 0.000 0.455 153 Y N 1.648 121.913 120.300 -0.059 0.000 2.114 153 Y HA -0.055 4.495 4.550 -0.000 0.000 0.284 153 Y C 2.031 177.870 175.900 -0.102 0.000 1.143 153 Y CA 1.113 59.157 58.100 -0.093 0.000 1.135 153 Y CB -0.552 37.849 38.460 -0.099 0.000 0.980 153 Y HN 0.123 nan 8.280 nan 0.000 0.499 154 L N -0.461 120.622 121.223 -0.234 0.000 2.141 154 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 154 L C 2.694 179.470 176.870 -0.157 0.000 1.094 154 L CA 1.040 55.666 54.840 -0.356 0.000 0.763 154 L CB -1.062 40.858 42.059 -0.232 0.000 0.908 154 L HN 0.349 nan 8.230 nan 0.000 0.437 155 A N 0.039 122.828 122.820 -0.052 0.000 2.024 155 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 155 A C 2.369 179.935 177.584 -0.030 0.000 1.164 155 A CA 1.733 53.772 52.037 0.004 0.000 0.643 155 A CB -0.370 18.636 19.000 0.009 0.000 0.806 155 A HN 0.299 nan 8.150 nan 0.000 0.451 156 K N -0.469 119.868 120.400 -0.104 0.000 2.057 156 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 156 K C 1.614 178.154 176.600 -0.100 0.000 1.050 156 K CA 1.350 57.573 56.287 -0.107 0.000 0.935 156 K CB -0.152 32.258 32.500 -0.150 0.000 0.715 156 K HN 0.437 nan 8.250 nan 0.000 0.439 157 I N 1.364 121.841 120.570 -0.155 0.000 2.500 157 I HA -0.040 4.130 4.170 -0.000 0.000 0.252 157 I C 0.986 177.181 176.117 0.130 0.000 1.142 157 I CA 0.296 61.553 61.300 -0.073 0.000 1.451 157 I CB -1.496 36.370 38.000 -0.224 0.000 1.093 157 I HN -0.008 nan 8.210 nan 0.000 0.430 158 A N 1.344 124.286 122.820 0.203 0.000 2.561 158 A HA 0.315 4.635 4.320 -0.000 0.000 0.251 158 A C 1.596 179.218 177.584 0.063 0.000 1.062 158 A CA 0.924 53.072 52.037 0.186 0.000 0.761 158 A CB -0.813 18.272 19.000 0.141 0.000 0.986 158 A HN 0.830 nan 8.150 nan 0.000 0.510 159 G N 2.570 111.385 108.800 0.025 0.000 2.148 159 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 159 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 159 G C 0.520 175.430 174.900 0.017 0.000 0.981 159 G CA 1.083 46.187 45.100 0.006 0.000 0.670 159 G HN 1.952 nan 8.290 nan 0.000 0.528 160 T N -0.562 114.012 114.554 0.034 0.000 2.802 160 T HA 0.514 4.864 4.350 -0.000 0.000 0.305 160 T C -1.909 172.809 174.700 0.029 0.000 1.053 160 T CA -0.849 61.268 62.100 0.028 0.000 1.058 160 T CB 1.138 70.025 68.868 0.031 0.000 0.988 160 T HN 0.127 nan 8.240 nan 0.000 0.539 161 P HA 0.218 nan 4.420 nan 0.000 0.271 161 P C 0.357 177.681 177.300 0.040 0.000 1.216 161 P CA -0.457 62.659 63.100 0.027 0.000 0.776 161 P CB 0.599 32.312 31.700 0.020 0.000 0.881 162 S N -0.577 115.151 115.700 0.047 0.000 2.578 162 S HA 0.116 4.586 4.470 -0.000 0.000 0.231 162 S C 0.761 175.403 174.600 0.070 0.000 0.994 162 S CA -0.331 57.911 58.200 0.070 0.000 0.956 162 S CB -0.339 62.909 63.200 0.080 0.000 0.870 162 S HN 0.413 nan 8.310 nan 0.000 0.494 163 S N 2.530 118.258 115.700 0.046 0.000 2.549 163 S HA 0.219 4.689 4.470 -0.000 0.000 0.286 163 S C 1.159 175.773 174.600 0.024 0.000 1.314 163 S CA 0.458 58.679 58.200 0.036 0.000 1.062 163 S CB 0.544 63.758 63.200 0.023 0.000 0.865 163 S HN 0.590 nan 8.310 nan 0.000 0.498 164 T N 1.570 116.133 114.554 0.014 0.000 3.092 164 T HA 0.580 4.930 4.350 -0.000 0.000 0.258 164 T C 0.942 175.633 174.700 -0.014 0.000 1.031 164 T CA 0.271 62.365 62.100 -0.009 0.000 0.925 164 T CB -0.305 68.543 68.868 -0.034 0.000 1.036 164 T HN 1.424 nan 8.240 nan 0.000 0.544 165 G N 1.679 110.477 108.800 -0.004 0.000 2.331 165 G HA2 0.215 4.175 3.960 -0.000 0.000 0.479 165 G HA3 0.215 4.175 3.960 -0.000 0.000 0.479 165 G C -0.286 174.613 174.900 -0.002 0.000 1.262 165 G CA -0.450 44.647 45.100 -0.006 0.000 1.029 165 G HN 0.949 nan 8.290 nan 0.000 0.487 166 T N -0.667 113.885 114.554 -0.004 0.000 2.932 166 T HA 0.628 4.978 4.350 -0.000 0.000 0.312 166 T C 1.021 175.720 174.700 -0.001 0.000 1.071 166 T CA 1.031 63.130 62.100 -0.002 0.000 1.128 166 T CB 1.029 69.895 68.868 -0.003 0.000 0.984 166 T HN 2.328 nan 8.240 nan 0.000 0.549 167 A N 3.810 126.632 122.820 0.003 0.000 2.584 167 A HA 0.374 4.694 4.320 -0.000 0.000 0.239 167 A C 0.979 178.565 177.584 0.003 0.000 1.043 167 A CA -0.341 51.699 52.037 0.006 0.000 0.756 167 A CB -0.634 18.372 19.000 0.009 0.000 0.963 167 A HN 0.999 nan 8.150 nan 0.000 0.511 168 S N 2.378 118.080 115.700 0.003 0.000 2.558 168 S HA 0.145 4.615 4.470 -0.000 0.000 0.293 168 S C 0.506 175.111 174.600 0.008 0.000 1.292 168 S CA 0.095 58.296 58.200 0.002 0.000 1.063 168 S CB 0.269 63.469 63.200 0.000 0.000 0.831 168 S HN 0.769 nan 8.310 nan 0.000 0.499 169 K N 1.459 121.863 120.400 0.006 0.000 2.476 169 K HA 0.108 4.428 4.320 -0.000 0.000 0.273 169 K C 0.451 177.066 176.600 0.026 0.000 1.056 169 K CA 0.213 56.507 56.287 0.011 0.000 1.150 169 K CB -0.494 32.013 32.500 0.011 0.000 0.838 169 K HN 0.607 nan 8.250 nan 0.000 0.486 170 G N 1.925 110.744 108.800 0.031 0.000 3.015 170 G HA2 0.396 4.356 3.960 -0.000 0.000 0.281 170 G HA3 0.396 4.356 3.960 -0.000 0.000 0.281 170 G C -0.701 174.259 174.900 0.100 0.000 1.386 170 G CA -0.996 44.145 45.100 0.068 0.000 0.959 170 G HN 0.581 nan 8.290 nan 0.000 0.522 171 F N 0.491 120.441 119.950 0.000 0.000 2.147 171 F HA 0.167 4.694 4.527 -0.000 0.000 0.291 171 F C 1.852 177.652 175.800 0.001 0.000 1.093 171 F CA 1.290 59.290 58.000 0.001 0.000 1.263 171 F CB -0.214 38.787 39.000 0.001 0.000 1.036 171 F HN 0.342 nan 8.300 nan 0.000 0.481 172 V N 0.000 119.968 119.914 0.090 0.000 2.409 172 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 172 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 172 V CB 0.000 31.860 31.823 0.063 0.000 1.184 172 V HN 0.000 nan 8.190 nan 0.000 0.556