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 1nf6_1_C 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 0.000 174.899 174.900 -0.001 0.000 0.946 3 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 4 N N 0.021 118.720 118.700 -0.002 0.000 2.445 4 N HA 0.249 4.989 4.740 -0.000 0.000 0.264 4 N C 1.229 176.739 175.510 -0.001 0.000 1.227 4 N CA -0.458 52.592 53.050 -0.001 0.000 0.963 4 N CB 1.082 39.568 38.487 -0.002 0.000 1.188 4 N HN 0.379 nan 8.380 nan 0.000 0.491 5 R N 0.368 120.868 120.500 -0.000 0.000 2.115 5 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 5 R C 2.239 178.539 176.300 -0.001 0.000 1.133 5 R CA 2.600 58.700 56.100 0.001 0.000 0.935 5 R CB -1.754 28.546 30.300 0.001 0.000 0.853 5 R HN 0.911 nan 8.270 nan 0.000 0.433 6 E N 1.761 121.960 120.200 -0.002 0.000 2.070 6 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 6 E C 1.764 178.360 176.600 -0.006 0.000 1.004 6 E CA 1.891 58.288 56.400 -0.004 0.000 0.805 6 E CB -0.611 29.087 29.700 -0.004 0.000 0.744 6 E HN 0.422 nan 8.360 nan 0.000 0.451 7 D N -0.429 119.968 120.400 -0.006 0.000 2.117 7 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 7 D C 2.242 178.537 176.300 -0.009 0.000 0.982 7 D CA 1.094 55.089 54.000 -0.008 0.000 0.828 7 D CB -0.254 40.541 40.800 -0.007 0.000 0.967 7 D HN 0.378 nan 8.370 nan 0.000 0.464 8 R N 0.733 121.230 120.500 -0.005 0.000 2.103 8 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 8 R C 2.227 178.526 176.300 -0.003 0.000 1.142 8 R CA 1.244 57.342 56.100 -0.003 0.000 0.960 8 R CB 0.001 30.302 30.300 0.002 0.000 0.858 8 R HN 0.154 nan 8.270 nan 0.000 0.439 9 K N -0.477 119.921 120.400 -0.003 0.000 2.296 9 K HA 0.036 4.356 4.320 -0.000 0.000 0.200 9 K C 1.950 178.543 176.600 -0.012 0.000 1.048 9 K CA 0.891 57.176 56.287 -0.003 0.000 0.966 9 K CB 0.168 32.667 32.500 -0.002 0.000 0.754 9 K HN 0.152 nan 8.250 nan 0.000 0.466 10 A N 1.772 124.583 122.820 -0.015 0.000 1.898 10 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 10 A C 1.826 179.390 177.584 -0.035 0.000 1.183 10 A CA 1.092 53.115 52.037 -0.023 0.000 0.622 10 A CB -0.083 18.905 19.000 -0.020 0.000 0.824 10 A HN 0.087 nan 8.150 nan 0.000 0.444 11 K N -0.214 120.167 120.400 -0.032 0.000 2.057 11 K HA -0.056 4.264 4.320 -0.000 0.000 0.206 11 K C 1.879 178.443 176.600 -0.061 0.000 1.050 11 K CA 1.417 57.677 56.287 -0.046 0.000 0.935 11 K CB -0.307 32.173 32.500 -0.033 0.000 0.715 11 K HN 0.317 nan 8.250 nan 0.000 0.439 12 V N 1.764 121.656 119.914 -0.037 0.000 2.379 12 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 12 V C 2.184 178.252 176.094 -0.043 0.000 1.044 12 V CA 1.402 63.688 62.300 -0.023 0.000 1.036 12 V CB -0.361 31.472 31.823 0.017 0.000 0.664 12 V HN 0.248 nan 8.190 nan 0.000 0.453 13 I N 0.188 120.733 120.570 -0.042 0.000 2.264 13 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 13 I C 2.569 178.627 176.117 -0.098 0.000 1.111 13 I CA 1.967 63.235 61.300 -0.053 0.000 1.382 13 I CB -0.285 37.693 38.000 -0.037 0.000 1.060 13 I HN 0.425 nan 8.210 nan 0.000 0.418 14 E N 0.781 120.914 120.200 -0.111 0.000 2.038 14 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 14 E C 2.233 178.670 176.600 -0.272 0.000 1.000 14 E CA 2.453 58.762 56.400 -0.152 0.000 0.803 14 E CB 0.022 29.647 29.700 -0.126 0.000 0.750 14 E HN 0.430 nan 8.360 nan 0.000 0.448 15 V N -0.759 118.940 119.914 -0.359 0.000 2.667 15 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 15 V C 2.322 178.037 176.094 -0.632 0.000 1.065 15 V CA 1.227 63.073 62.300 -0.758 0.000 1.083 15 V CB -0.631 30.759 31.823 -0.722 0.000 0.692 15 V HN 0.238 nan 8.190 nan 0.000 0.468 16 L N 0.516 121.567 121.223 -0.286 0.000 2.083 16 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 16 L C 2.614 179.288 176.870 -0.327 0.000 1.083 16 L CA 1.766 56.428 54.840 -0.297 0.000 0.752 16 L CB -0.610 41.363 42.059 -0.145 0.000 0.899 16 L HN 0.371 nan 8.230 nan 0.000 0.433 17 N N -0.165 118.401 118.700 -0.224 0.000 2.409 17 N HA -0.095 4.645 4.740 -0.000 0.000 0.179 17 N C 1.650 177.082 175.510 -0.130 0.000 1.032 17 N CA 0.812 53.780 53.050 -0.136 0.000 0.898 17 N CB 0.163 38.595 38.487 -0.092 0.000 0.971 17 N HN 0.328 nan 8.380 nan 0.000 0.441 18 K N 0.493 120.754 120.400 -0.232 0.000 2.031 18 K HA 0.088 4.408 4.320 -0.000 0.000 0.205 18 K C 2.047 178.688 176.600 0.068 0.000 1.049 18 K CA 1.142 57.352 56.287 -0.128 0.000 0.939 18 K CB -0.106 32.213 32.500 -0.302 0.000 0.717 18 K HN 0.034 nan 8.250 nan 0.000 0.438 19 A N 1.873 124.687 122.820 -0.010 0.000 1.908 19 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 19 A C 2.167 179.810 177.584 0.099 0.000 1.181 19 A CA 1.605 53.731 52.037 0.148 0.000 0.627 19 A CB -0.507 18.168 19.000 -0.542 0.000 0.818 19 A HN 0.231 nan 8.150 nan 0.000 0.445 20 R N -0.512 119.948 120.500 -0.068 0.000 2.081 20 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 20 R C 2.274 178.690 176.300 0.194 0.000 1.131 20 R CA 1.359 57.567 56.100 0.181 0.000 0.960 20 R CB -0.375 29.996 30.300 0.118 0.000 0.856 20 R HN 0.447 nan 8.270 nan 0.000 0.436 21 A N 0.547 123.444 122.820 0.127 0.000 1.969 21 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 21 A C 2.109 179.795 177.584 0.172 0.000 1.169 21 A CA 1.383 53.493 52.037 0.121 0.000 0.635 21 A CB -0.332 18.709 19.000 0.069 0.000 0.810 21 A HN 0.345 nan 8.150 nan 0.000 0.445 22 M N -0.833 118.903 119.600 0.227 0.000 2.200 22 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 22 M C 1.876 178.358 176.300 0.303 0.000 1.066 22 M CA 1.073 56.526 55.300 0.255 0.000 1.127 22 M CB -0.234 32.547 32.600 0.301 0.000 1.379 22 M HN 0.276 nan 8.290 nan 0.000 0.420 23 E N 0.633 121.049 120.200 0.360 0.000 2.106 23 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 23 E C 2.099 178.839 176.600 0.232 0.000 0.984 23 E CA 1.105 57.714 56.400 0.348 0.000 0.806 23 E CB -0.334 29.636 29.700 0.449 0.000 0.750 23 E HN 0.537 nan 8.360 nan 0.000 0.458 24 L N 0.627 121.986 121.223 0.226 0.000 2.131 24 L HA -0.179 4.160 4.340 -0.000 0.000 0.210 24 L C 2.746 179.766 176.870 0.250 0.000 1.092 24 L CA 1.090 56.063 54.840 0.222 0.000 0.759 24 L CB -0.525 41.638 42.059 0.172 0.000 0.903 24 L HN 0.267 nan 8.230 nan 0.000 0.435 25 H N 0.413 119.532 119.070 0.082 0.000 2.299 25 H HA -0.145 4.411 4.556 -0.000 0.000 0.302 25 H C 2.128 177.428 175.328 -0.047 0.000 1.078 25 H CA 1.566 57.623 56.048 0.015 0.000 1.323 25 H CB 0.302 30.058 29.762 -0.009 0.000 1.381 25 H HN 0.298 nan 8.280 nan 0.000 0.498 26 A N 1.606 124.348 122.820 -0.131 0.000 1.917 26 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 26 A C 2.772 179.998 177.584 -0.597 0.000 1.182 26 A CA 1.629 53.328 52.037 -0.564 0.000 0.633 26 A CB -0.904 17.928 19.000 -0.279 0.000 0.819 26 A HN 0.494 nan 8.150 nan 0.000 0.448 27 I N -1.361 119.090 120.570 -0.198 0.000 2.163 27 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 27 I C 2.458 178.447 176.117 -0.214 0.000 1.085 27 I CA 1.951 63.158 61.300 -0.154 0.000 1.347 27 I CB -0.582 37.366 38.000 -0.087 0.000 1.044 27 I HN 0.421 nan 8.210 nan 0.000 0.408 28 H N -0.433 118.519 119.070 -0.196 0.000 2.357 28 H HA -0.196 4.360 4.556 0.000 0.000 0.301 28 H C 2.172 177.382 175.328 -0.196 0.000 1.082 28 H CA 1.547 57.507 56.048 -0.147 0.000 1.342 28 H CB -0.118 29.564 29.762 -0.133 0.000 1.389 28 H HN 0.260 nan 8.280 nan 0.000 0.511 29 Q N 0.087 119.713 119.800 -0.290 0.000 2.020 29 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 29 Q C 1.715 177.689 176.000 -0.044 0.000 0.974 29 Q CA 1.611 57.255 55.803 -0.264 0.000 0.829 29 Q CB -0.335 28.096 28.738 -0.512 0.000 0.894 29 Q HN 0.683 nan 8.270 nan 0.000 0.433 30 Y N -1.285 118.957 120.300 -0.097 0.000 2.293 30 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 30 Y C 2.076 177.916 175.900 -0.100 0.000 1.137 30 Y CA 0.030 58.083 58.100 -0.078 0.000 1.202 30 Y CB -0.011 38.426 38.460 -0.039 0.000 0.990 30 Y HN 0.175 nan 8.280 nan 0.000 0.537 31 M N 0.280 119.867 119.600 -0.022 0.000 2.175 31 M HA -0.186 4.294 4.480 -0.000 0.000 0.264 31 M C 1.759 177.910 176.300 -0.248 0.000 1.063 31 M CA 1.270 56.441 55.300 -0.214 0.000 1.119 31 M CB -1.282 31.186 32.600 -0.221 0.000 1.377 31 M HN 0.318 nan 8.290 nan 0.000 0.415 32 N N 0.298 119.014 118.700 0.028 0.000 2.120 32 N HA -0.183 4.557 4.740 -0.000 0.000 0.188 32 N C 1.628 177.210 175.510 0.119 0.000 1.024 32 N CA 1.421 54.585 53.050 0.190 0.000 0.852 32 N CB 0.054 38.629 38.487 0.146 0.000 1.003 32 N HN 0.455 nan 8.380 nan 0.000 0.424 33 Q N -1.348 118.488 119.800 0.060 0.000 2.119 33 Q HA -0.221 4.119 4.340 -0.000 0.000 0.201 33 Q C 1.803 177.825 176.000 0.037 0.000 0.972 33 Q CA 1.561 57.387 55.803 0.039 0.000 0.847 33 Q CB -0.366 28.374 28.738 0.003 0.000 0.903 33 Q HN 0.658 nan 8.270 nan 0.000 0.433 34 H N 0.179 119.183 119.070 -0.111 0.000 2.319 34 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 34 H C 1.489 176.757 175.328 -0.101 0.000 1.092 34 H CA 1.883 57.840 56.048 -0.151 0.000 1.302 34 H CB -0.417 29.161 29.762 -0.306 0.000 1.373 34 H HN 0.320 nan 8.280 nan 0.000 0.497 35 Y N 0.074 120.300 120.300 -0.122 0.000 2.256 35 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 35 Y C 2.926 178.750 175.900 -0.126 0.000 1.155 35 Y CA 0.840 58.832 58.100 -0.181 0.000 1.203 35 Y CB -0.051 38.393 38.460 -0.027 0.000 0.980 35 Y HN 0.257 nan 8.280 nan 0.000 0.530 36 S N 0.339 116.087 115.700 0.081 0.000 2.357 36 S HA -0.139 4.331 4.470 -0.000 0.000 0.221 36 S C 1.976 176.604 174.600 0.046 0.000 1.031 36 S CA 1.098 59.336 58.200 0.063 0.000 0.982 36 S CB -0.542 62.702 63.200 0.074 0.000 0.853 36 S HN 0.321 nan 8.310 nan 0.000 0.458 37 L N 1.309 122.562 121.223 0.049 0.000 2.046 37 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 37 L C 2.396 179.284 176.870 0.031 0.000 1.077 37 L CA 1.314 56.225 54.840 0.118 0.000 0.747 37 L CB -0.605 41.557 42.059 0.172 0.000 0.896 37 L HN 0.216 nan 8.230 nan 0.000 0.432 38 D N 0.107 120.451 120.400 -0.093 0.000 2.092 38 D HA -0.249 4.391 4.640 -0.000 0.000 0.193 38 D C 1.807 178.066 176.300 -0.069 0.000 0.994 38 D CA 1.421 55.354 54.000 -0.112 0.000 0.828 38 D CB -0.020 40.633 40.800 -0.245 0.000 0.963 38 D HN 0.211 nan 8.370 nan 0.000 0.450 39 D N -0.891 119.480 120.400 -0.048 0.000 2.133 39 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 39 D C 2.020 178.278 176.300 -0.071 0.000 0.997 39 D CA 1.057 55.034 54.000 -0.038 0.000 0.840 39 D CB -0.099 40.696 40.800 -0.009 0.000 0.947 39 D HN 0.258 nan 8.370 nan 0.000 0.452 40 M N -0.762 118.793 119.600 -0.075 0.000 2.549 40 M HA -0.059 4.421 4.480 -0.000 0.000 0.260 40 M C 0.324 176.382 176.300 -0.404 0.000 1.076 40 M CA 0.939 56.128 55.300 -0.185 0.000 1.090 40 M CB 0.141 32.706 32.600 -0.059 0.000 1.418 40 M HN -0.063 nan 8.290 nan 0.000 0.486 41 D N -0.416 119.833 120.400 -0.252 0.000 2.835 41 D HA -0.214 4.426 4.640 -0.000 0.000 0.230 41 D C -1.242 174.880 176.300 -0.297 0.000 1.130 41 D CA 0.647 54.508 54.000 -0.232 0.000 0.738 41 D CB -1.524 39.144 40.800 -0.220 0.000 1.090 41 D HN 0.521 nan 8.370 nan 0.000 0.433 42 Y N -0.768 119.536 120.300 0.007 0.000 2.821 42 Y HA 0.444 4.994 4.550 -0.000 0.000 0.331 42 Y C 1.987 177.902 175.900 0.026 0.000 1.251 42 Y CA -0.434 57.670 58.100 0.008 0.000 1.494 42 Y CB 0.815 39.292 38.460 0.029 0.000 1.493 42 Y HN 0.149 nan 8.280 nan 0.000 0.496 43 G N 0.876 109.752 108.800 0.127 0.000 2.491 43 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 43 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 43 G C 1.461 176.428 174.900 0.112 0.000 1.180 43 G CA 1.014 46.170 45.100 0.093 0.000 0.774 43 G HN 0.584 nan 8.290 nan 0.000 0.562 44 E N -0.160 120.102 120.200 0.103 0.000 2.077 44 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 44 E C 2.662 179.356 176.600 0.155 0.000 0.989 44 E CA 0.509 56.970 56.400 0.101 0.000 0.800 44 E CB -0.153 29.588 29.700 0.070 0.000 0.746 44 E HN 0.469 nan 8.360 nan 0.000 0.452 45 L N 0.210 121.547 121.223 0.190 0.000 2.046 45 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 45 L C 2.642 179.681 176.870 0.281 0.000 1.077 45 L CA 1.018 56.025 54.840 0.278 0.000 0.747 45 L CB -0.457 41.772 42.059 0.284 0.000 0.896 45 L HN 0.172 nan 8.230 nan 0.000 0.432 46 A N 0.064 123.023 122.820 0.232 0.000 1.902 46 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 46 A C 2.534 180.295 177.584 0.296 0.000 1.181 46 A CA 1.726 53.908 52.037 0.241 0.000 0.623 46 A CB -0.663 18.414 19.000 0.127 0.000 0.818 46 A HN 0.394 nan 8.150 nan 0.000 0.443 47 A N 0.210 123.137 122.820 0.179 0.000 1.855 47 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 47 A C 1.914 179.511 177.584 0.021 0.000 1.191 47 A CA 1.758 53.852 52.037 0.094 0.000 0.613 47 A CB -0.663 18.374 19.000 0.061 0.000 0.829 47 A HN 0.508 nan 8.150 nan 0.000 0.442 48 N N -0.992 117.725 118.700 0.030 0.000 2.289 48 N HA -0.143 4.597 4.740 -0.000 0.000 0.184 48 N C 1.546 176.972 175.510 -0.139 0.000 1.016 48 N CA 1.693 54.678 53.050 -0.108 0.000 0.872 48 N CB -0.363 38.041 38.487 -0.139 0.000 0.973 48 N HN 0.551 nan 8.380 nan 0.000 0.433 49 M N 1.163 120.779 119.600 0.027 0.000 2.156 49 M HA -0.046 4.434 4.480 -0.000 0.000 0.264 49 M C 1.878 178.135 176.300 -0.071 0.000 1.067 49 M CA 1.546 56.870 55.300 0.039 0.000 1.131 49 M CB -0.140 32.559 32.600 0.165 0.000 1.368 49 M HN -0.086 nan 8.290 nan 0.000 0.416 50 K N -0.210 120.095 120.400 -0.158 0.000 2.097 50 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 50 K C 1.754 178.219 176.600 -0.225 0.000 1.049 50 K CA 1.402 57.472 56.287 -0.363 0.000 0.933 50 K CB -0.257 31.840 32.500 -0.671 0.000 0.717 50 K HN 0.451 nan 8.250 nan 0.000 0.442 51 L N 0.633 121.748 121.223 -0.181 0.000 2.156 51 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 51 L C 2.274 179.031 176.870 -0.188 0.000 1.095 51 L CA 0.801 55.543 54.840 -0.163 0.000 0.770 51 L CB -0.217 41.752 42.059 -0.150 0.000 0.914 51 L HN 0.199 nan 8.230 nan 0.000 0.439 52 I N -0.159 120.257 120.570 -0.257 0.000 2.315 52 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 52 I C 2.774 178.778 176.117 -0.189 0.000 1.117 52 I CA 1.011 62.080 61.300 -0.385 0.000 1.404 52 I CB -0.404 37.250 38.000 -0.578 0.000 1.071 52 I HN 0.181 nan 8.210 nan 0.000 0.419 53 A N 0.983 123.769 122.820 -0.057 0.000 1.940 53 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 53 A C 2.273 179.813 177.584 -0.074 0.000 1.176 53 A CA 1.531 53.571 52.037 0.004 0.000 0.631 53 A CB -0.807 18.170 19.000 -0.038 0.000 0.814 53 A HN 0.413 nan 8.150 nan 0.000 0.446 54 I N -0.371 120.132 120.570 -0.111 0.000 2.394 54 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 54 I C 1.666 177.712 176.117 -0.119 0.000 1.136 54 I CA 1.136 62.373 61.300 -0.106 0.000 1.425 54 I CB -0.341 37.598 38.000 -0.102 0.000 1.079 54 I HN 0.221 nan 8.210 nan 0.000 0.425 55 D N 0.749 121.068 120.400 -0.134 0.000 2.144 55 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 55 D C 2.128 178.137 176.300 -0.485 0.000 0.984 55 D CA 1.026 54.899 54.000 -0.211 0.000 0.834 55 D CB -0.143 40.657 40.800 -0.001 0.000 0.955 55 D HN 0.297 nan 8.370 nan 0.000 0.465 56 E N 0.279 120.338 120.200 -0.235 0.000 2.106 56 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 56 E C 2.268 178.838 176.600 -0.050 0.000 0.984 56 E CA 0.427 56.763 56.400 -0.107 0.000 0.806 56 E CB -0.363 29.394 29.700 0.095 0.000 0.750 56 E HN 0.425 nan 8.360 nan 0.000 0.458 57 M N 0.281 119.841 119.600 -0.066 0.000 2.108 57 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 57 M C 2.362 178.640 176.300 -0.036 0.000 1.066 57 M CA 1.542 56.823 55.300 -0.032 0.000 1.107 57 M CB -0.304 32.267 32.600 -0.049 0.000 1.356 57 M HN -0.028 nan 8.290 nan 0.000 0.406 58 R N -0.969 119.475 120.500 -0.093 0.000 2.148 58 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 58 R C 1.895 178.184 176.300 -0.019 0.000 1.103 58 R CA 1.111 57.173 56.100 -0.063 0.000 0.983 58 R CB -0.372 29.885 30.300 -0.072 0.000 0.874 58 R HN 0.619 nan 8.270 nan 0.000 0.451 59 H N -0.338 118.669 119.070 -0.105 0.000 2.299 59 H HA -0.023 4.532 4.556 -0.000 0.000 0.302 59 H C 2.227 177.388 175.328 -0.280 0.000 1.078 59 H CA 0.705 56.586 56.048 -0.277 0.000 1.323 59 H CB 0.013 29.734 29.762 -0.069 0.000 1.381 59 H HN 0.251 nan 8.280 nan 0.000 0.498 60 A N 1.151 124.059 122.820 0.147 0.000 1.958 60 A HA -0.294 4.026 4.320 -0.000 0.000 0.221 60 A C 2.180 179.822 177.584 0.097 0.000 1.178 60 A CA 2.134 54.285 52.037 0.190 0.000 0.642 60 A CB -0.533 18.566 19.000 0.164 0.000 0.816 60 A HN 0.581 nan 8.150 nan 0.000 0.453 61 E N -0.340 119.872 120.200 0.021 0.000 2.046 61 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 61 E C 1.854 178.430 176.600 -0.040 0.000 0.982 61 E CA 1.238 57.638 56.400 -0.002 0.000 0.800 61 E CB -0.201 29.491 29.700 -0.014 0.000 0.756 61 E HN 0.802 nan 8.360 nan 0.000 0.449 62 N N -0.609 118.011 118.700 -0.134 0.000 2.142 62 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 62 N C 1.686 177.096 175.510 -0.167 0.000 1.023 62 N CA 1.092 54.023 53.050 -0.198 0.000 0.852 62 N CB -0.131 38.164 38.487 -0.320 0.000 0.998 62 N HN 0.132 nan 8.380 nan 0.000 0.424 63 F N 1.368 121.259 119.950 -0.097 0.000 2.069 63 F HA -0.209 4.318 4.527 0.000 0.000 0.298 63 F C 2.679 178.434 175.800 -0.075 0.000 1.113 63 F CA 0.620 58.539 58.000 -0.135 0.000 1.214 63 F CB -0.343 38.579 39.000 -0.130 0.000 0.978 63 F HN 0.073 nan 8.300 nan 0.000 0.474 64 A N 0.419 123.327 122.820 0.147 0.000 1.892 64 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 64 A C 1.978 179.588 177.584 0.044 0.000 1.188 64 A CA 2.220 54.304 52.037 0.079 0.000 0.631 64 A CB -0.934 18.103 19.000 0.061 0.000 0.822 64 A HN 0.499 nan 8.150 nan 0.000 0.447 65 E N -1.199 119.015 120.200 0.024 0.000 2.077 65 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 65 E C 2.305 178.911 176.600 0.010 0.000 0.989 65 E CA 1.234 57.638 56.400 0.008 0.000 0.800 65 E CB -0.177 29.517 29.700 -0.010 0.000 0.746 65 E HN 0.439 nan 8.360 nan 0.000 0.452 66 R N 1.519 122.029 120.500 0.017 0.000 2.073 66 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 66 R C 2.036 178.349 176.300 0.022 0.000 1.134 66 R CA 1.261 57.372 56.100 0.019 0.000 0.952 66 R CB -0.708 29.609 30.300 0.027 0.000 0.850 66 R HN 0.190 nan 8.270 nan 0.000 0.433 67 I N 0.763 121.351 120.570 0.030 0.000 2.315 67 I HA -0.309 3.861 4.170 -0.000 0.000 0.251 67 I C 1.886 178.009 176.117 0.011 0.000 1.125 67 I CA 1.246 62.556 61.300 0.016 0.000 1.392 67 I CB -0.224 37.786 38.000 0.016 0.000 1.065 67 I HN 0.089 nan 8.210 nan 0.000 0.424 68 K N 0.712 121.120 120.400 0.013 0.000 2.103 68 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 68 K C 1.850 178.453 176.600 0.006 0.000 1.052 68 K CA 1.149 57.441 56.287 0.008 0.000 0.945 68 K CB -0.287 32.219 32.500 0.009 0.000 0.722 68 K HN 0.422 nan 8.250 nan 0.000 0.443 69 E N 0.530 120.734 120.200 0.007 0.000 2.204 69 E HA -0.084 4.266 4.350 -0.000 0.000 0.195 69 E C 1.485 178.088 176.600 0.006 0.000 0.990 69 E CA 0.605 57.008 56.400 0.005 0.000 0.821 69 E CB 0.032 29.735 29.700 0.005 0.000 0.750 69 E HN 0.184 nan 8.360 nan 0.000 0.477 70 L N -0.650 120.577 121.223 0.006 0.000 2.592 70 L HA 0.202 4.542 4.340 -0.000 0.000 0.227 70 L C 1.227 178.098 176.870 0.001 0.000 1.127 70 L CA 0.233 55.076 54.840 0.005 0.000 0.884 70 L CB 0.288 42.351 42.059 0.006 0.000 1.065 70 L HN 0.248 nan 8.230 nan 0.000 0.457 71 G N -0.009 108.792 108.800 0.001 0.000 2.143 71 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.249 71 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.249 71 G C 0.490 175.389 174.900 -0.002 0.000 0.981 71 G CA -0.069 45.030 45.100 -0.000 0.000 0.665 71 G HN 0.507 nan 8.290 nan 0.000 0.528 72 G N -0.776 108.022 108.800 -0.003 0.000 2.532 72 G HA2 0.626 4.586 3.960 -0.000 0.000 0.291 72 G HA3 0.626 4.586 3.960 -0.000 0.000 0.291 72 G C -0.438 174.460 174.900 -0.002 0.000 1.349 72 G CA 0.204 45.301 45.100 -0.006 0.000 1.038 72 G HN 0.539 nan 8.290 nan 0.000 0.518 73 E N -0.072 120.125 120.200 -0.004 0.000 2.191 73 E HA 0.506 4.856 4.350 -0.000 0.000 0.263 73 E C -2.557 174.044 176.600 0.002 0.000 0.881 73 E CA -1.996 54.404 56.400 0.000 0.000 0.757 73 E CB 1.963 31.662 29.700 -0.001 0.000 1.147 73 E HN 0.119 nan 8.360 nan 0.000 0.414 74 P HA 0.090 nan 4.420 nan 0.000 0.271 74 P C -0.412 176.900 177.300 0.020 0.000 1.220 74 P CA -0.332 62.780 63.100 0.021 0.000 0.768 74 P CB 1.068 32.790 31.700 0.036 0.000 0.848 75 T N 0.948 115.512 114.554 0.018 0.000 2.813 75 T HA 0.231 4.581 4.350 -0.000 0.000 0.297 75 T C 1.075 175.795 174.700 0.033 0.000 1.036 75 T CA 0.427 62.537 62.100 0.018 0.000 1.044 75 T CB -0.010 68.865 68.868 0.011 0.000 0.993 75 T HN 0.561 nan 8.240 nan 0.000 0.535 76 T N 0.780 115.351 114.554 0.028 0.000 3.145 76 T HA 0.334 4.684 4.350 -0.000 0.000 0.281 76 T C 0.144 174.861 174.700 0.028 0.000 1.003 76 T CA -0.461 61.660 62.100 0.035 0.000 0.901 76 T CB 0.162 69.046 68.868 0.028 0.000 1.112 76 T HN 0.595 nan 8.240 nan 0.000 0.535 77 Q N 2.056 121.868 119.800 0.021 0.000 2.342 77 Q HA 0.422 4.762 4.340 -0.000 0.000 0.267 77 Q C -0.668 175.340 176.000 0.014 0.000 1.038 77 Q CA -0.889 54.917 55.803 0.005 0.000 0.832 77 Q CB 2.619 31.356 28.738 -0.001 0.000 1.323 77 Q HN 0.533 nan 8.270 nan 0.000 0.448 78 K N 0.501 120.895 120.400 -0.010 0.000 2.154 78 K HA 0.352 4.672 4.320 -0.000 0.000 0.264 78 K C -0.231 176.388 176.600 0.032 0.000 1.008 78 K CA -0.677 55.626 56.287 0.027 0.000 0.937 78 K CB 0.840 33.334 32.500 -0.010 0.000 1.002 78 K HN 0.279 nan 8.250 nan 0.000 0.469 79 E N 0.676 120.906 120.200 0.050 0.000 2.115 79 E HA 0.387 4.737 4.350 -0.000 0.000 0.282 79 E C -0.135 176.395 176.600 -0.117 0.000 0.987 79 E CA 0.473 56.868 56.400 -0.008 0.000 0.797 79 E CB 0.618 30.325 29.700 0.012 0.000 1.086 79 E HN 0.829 nan 8.360 nan 0.000 0.397 80 G N 1.876 110.612 108.800 -0.105 0.000 2.603 80 G HA2 0.320 4.279 3.960 -0.000 0.000 0.686 80 G HA3 0.320 4.279 3.960 -0.000 0.000 0.686 80 G C -0.795 174.076 174.900 -0.048 0.000 1.286 80 G CA -0.458 44.535 45.100 -0.179 0.000 0.871 80 G HN 0.688 nan 8.290 nan 0.000 0.568 81 K N -0.669 119.723 120.400 -0.013 0.000 2.138 81 K HA 0.860 5.180 4.320 -0.000 0.000 0.263 81 K C 0.229 176.971 176.600 0.237 0.000 0.965 81 K CA -0.047 56.295 56.287 0.091 0.000 0.868 81 K CB 1.875 34.402 32.500 0.045 0.000 1.083 81 K HN 1.747 nan 8.250 nan 0.000 0.443 82 V N 2.769 122.792 119.914 0.181 0.000 2.461 82 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 82 V C 0.102 176.247 176.094 0.086 0.000 1.047 82 V CA -0.835 61.537 62.300 0.120 0.000 0.955 82 V CB 1.299 33.131 31.823 0.015 0.000 0.988 82 V HN 0.587 nan 8.190 nan 0.000 0.471 83 V N 5.274 125.238 119.914 0.083 0.000 2.432 83 V HA 0.429 4.549 4.120 -0.000 0.000 0.271 83 V C 0.630 176.752 176.094 0.047 0.000 1.046 83 V CA -0.199 62.136 62.300 0.060 0.000 0.945 83 V CB 1.168 33.025 31.823 0.057 0.000 0.992 83 V HN 1.045 nan 8.190 nan 0.000 0.471 84 T N 0.774 115.354 114.554 0.044 0.000 2.949 84 T HA 0.682 5.032 4.350 -0.000 0.000 0.287 84 T C 0.853 175.576 174.700 0.039 0.000 1.034 84 T CA 0.057 62.184 62.100 0.046 0.000 1.018 84 T CB 1.680 70.577 68.868 0.049 0.000 1.135 84 T HN 1.818 nan 8.240 nan 0.000 0.532 85 G N 0.964 109.789 108.800 0.041 0.000 2.160 85 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.251 85 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.251 85 G C -0.174 174.747 174.900 0.035 0.000 1.008 85 G CA 0.303 45.425 45.100 0.037 0.000 0.724 85 G HN 0.984 nan 8.290 nan 0.000 0.514 86 Q N 0.029 119.848 119.800 0.032 0.000 2.286 86 Q HA 0.654 4.994 4.340 -0.000 0.000 0.257 86 Q C 0.833 176.852 176.000 0.033 0.000 0.941 86 Q CA 0.129 55.946 55.803 0.024 0.000 0.912 86 Q CB 1.349 30.090 28.738 0.006 0.000 1.192 86 Q HN 0.690 nan 8.270 nan 0.000 0.410 87 A N 2.198 125.042 122.820 0.040 0.000 2.292 87 A HA 0.149 4.469 4.320 -0.000 0.000 0.265 87 A C 1.161 178.787 177.584 0.070 0.000 1.133 87 A CA -0.499 51.574 52.037 0.060 0.000 0.807 87 A CB 0.207 19.243 19.000 0.059 0.000 1.102 87 A HN 0.672 nan 8.150 nan 0.000 0.502 88 V N 0.598 120.577 119.914 0.109 0.000 2.295 88 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 88 V C -0.562 175.652 176.094 0.201 0.000 1.049 88 V CA 2.586 64.986 62.300 0.166 0.000 1.024 88 V CB -1.743 30.174 31.823 0.158 0.000 0.648 88 V HN 0.766 nan 8.190 nan 0.000 0.447 89 P HA -0.081 nan 4.420 nan 0.000 0.217 89 P C 1.869 179.223 177.300 0.089 0.000 1.150 89 P CA 1.136 64.305 63.100 0.115 0.000 0.832 89 P CB -0.027 31.711 31.700 0.064 0.000 0.787 90 V N -0.827 119.116 119.914 0.050 0.000 2.719 90 V HA -0.154 3.966 4.120 -0.000 0.000 0.252 90 V C 2.260 178.331 176.094 -0.038 0.000 1.065 90 V CA 1.133 63.440 62.300 0.013 0.000 1.086 90 V CB -0.894 30.936 31.823 0.011 0.000 0.700 90 V HN 0.046 nan 8.190 nan 0.000 0.467 91 I N -0.826 119.697 120.570 -0.079 0.000 2.127 91 I HA -0.302 3.868 4.170 -0.000 0.000 0.241 91 I C 2.271 178.124 176.117 -0.440 0.000 1.075 91 I CA 2.123 63.259 61.300 -0.274 0.000 1.334 91 I CB -0.289 37.478 38.000 -0.388 0.000 1.040 91 I HN 0.296 nan 8.210 nan 0.000 0.405 92 Y N 0.040 120.301 120.300 -0.066 0.000 2.395 92 Y HA -0.161 4.389 4.550 -0.000 0.000 0.293 92 Y C 2.544 178.384 175.900 -0.101 0.000 1.123 92 Y CA 1.026 59.072 58.100 -0.091 0.000 1.227 92 Y CB -0.206 38.239 38.460 -0.025 0.000 1.012 92 Y HN 0.220 nan 8.280 nan 0.000 0.552 93 E N 0.052 120.276 120.200 0.039 0.000 2.072 93 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 93 E C 1.965 178.546 176.600 -0.032 0.000 0.985 93 E CA 1.494 57.900 56.400 0.009 0.000 0.801 93 E CB -0.026 29.681 29.700 0.012 0.000 0.750 93 E HN 0.317 nan 8.360 nan 0.000 0.452 94 S N 0.919 116.581 115.700 -0.063 0.000 2.371 94 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 94 S C 1.431 175.971 174.600 -0.100 0.000 1.029 94 S CA 1.215 59.380 58.200 -0.058 0.000 0.978 94 S CB -0.254 62.922 63.200 -0.041 0.000 0.833 94 S HN 0.321 nan 8.310 nan 0.000 0.466 95 D N 1.955 122.192 120.400 -0.272 0.000 2.097 95 D HA 0.022 4.662 4.640 -0.000 0.000 0.195 95 D C 2.178 178.281 176.300 -0.328 0.000 0.989 95 D CA 1.242 54.936 54.000 -0.509 0.000 0.827 95 D CB -0.567 39.359 40.800 -1.457 0.000 0.966 95 D HN 0.342 nan 8.370 nan 0.000 0.456 96 A N 1.165 123.865 122.820 -0.200 0.000 1.892 96 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 96 A C 1.841 179.449 177.584 0.040 0.000 1.188 96 A CA 1.996 54.061 52.037 0.047 0.000 0.631 96 A CB -0.591 18.456 19.000 0.080 0.000 0.822 96 A HN 0.075 nan 8.150 nan 0.000 0.447 97 D N -1.135 119.269 120.400 0.006 0.000 2.144 97 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 97 D C 2.052 178.368 176.300 0.026 0.000 0.984 97 D CA 1.587 55.595 54.000 0.012 0.000 0.834 97 D CB -0.354 40.447 40.800 0.002 0.000 0.955 97 D HN 0.733 nan 8.370 nan 0.000 0.465 98 Q N 0.341 120.165 119.800 0.040 0.000 2.124 98 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 98 Q C 1.729 177.795 176.000 0.111 0.000 0.977 98 Q CA 1.137 56.995 55.803 0.092 0.000 0.850 98 Q CB 0.264 29.111 28.738 0.183 0.000 0.901 98 Q HN 0.109 nan 8.270 nan 0.000 0.429 99 E N 0.334 120.617 120.200 0.139 0.000 2.112 99 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 99 E C 1.461 178.101 176.600 0.066 0.000 0.979 99 E CA 1.236 57.736 56.400 0.167 0.000 0.814 99 E CB -0.127 29.746 29.700 0.289 0.000 0.762 99 E HN 0.508 nan 8.360 nan 0.000 0.460 100 D N 0.695 121.126 120.400 0.052 0.000 2.117 100 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 100 D C 1.864 178.145 176.300 -0.032 0.000 0.987 100 D CA 1.542 55.549 54.000 0.011 0.000 0.829 100 D CB 0.100 40.909 40.800 0.015 0.000 0.961 100 D HN 0.120 nan 8.370 nan 0.000 0.460 101 A N -0.743 122.057 122.820 -0.033 0.000 1.968 101 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 101 A C 2.304 179.809 177.584 -0.132 0.000 1.169 101 A CA 1.691 53.688 52.037 -0.065 0.000 0.638 101 A CB -0.758 18.216 19.000 -0.043 0.000 0.812 101 A HN 0.274 nan 8.150 nan 0.000 0.446 102 T N 0.497 114.959 114.554 -0.155 0.000 2.708 102 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 102 T C 1.793 176.194 174.700 -0.498 0.000 1.037 102 T CA 1.576 63.455 62.100 -0.368 0.000 1.146 102 T CB -0.402 68.268 68.868 -0.331 0.000 0.865 102 T HN 0.419 nan 8.240 nan 0.000 0.435 103 I N 0.953 121.364 120.570 -0.265 0.000 2.208 103 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 103 I C 2.784 178.817 176.117 -0.139 0.000 1.097 103 I CA 1.106 62.311 61.300 -0.158 0.000 1.363 103 I CB -0.323 37.648 38.000 -0.049 0.000 1.051 103 I HN 0.139 nan 8.210 nan 0.000 0.413 104 E N 0.898 121.014 120.200 -0.139 0.000 2.058 104 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 104 E C 2.313 178.786 176.600 -0.212 0.000 0.997 104 E CA 1.615 57.935 56.400 -0.132 0.000 0.801 104 E CB -0.340 29.298 29.700 -0.104 0.000 0.746 104 E HN 0.525 nan 8.360 nan 0.000 0.450 105 A N 0.862 123.502 122.820 -0.300 0.000 1.845 105 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 105 A C 2.090 179.183 177.584 -0.819 0.000 1.195 105 A CA 1.368 53.086 52.037 -0.533 0.000 0.616 105 A CB -0.997 17.735 19.000 -0.448 0.000 0.832 105 A HN 0.222 nan 8.150 nan 0.000 0.443 106 Y N 1.119 121.036 120.300 -0.639 0.000 2.256 106 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 106 Y C 2.969 178.622 175.900 -0.411 0.000 1.155 106 Y CA 0.673 58.494 58.100 -0.465 0.000 1.203 106 Y CB -1.278 37.236 38.460 0.091 0.000 0.980 106 Y HN 0.279 nan 8.280 nan 0.000 0.530 107 S N -0.289 115.332 115.700 -0.132 0.000 2.399 107 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 107 S C 1.901 176.411 174.600 -0.150 0.000 1.022 107 S CA 1.223 59.362 58.200 -0.101 0.000 0.983 107 S CB -0.194 62.964 63.200 -0.071 0.000 0.803 107 S HN 0.597 nan 8.310 nan 0.000 0.480 108 Q N -0.164 119.497 119.800 -0.231 0.000 2.163 108 Q HA 0.094 4.434 4.340 -0.000 0.000 0.198 108 Q C 1.752 177.710 176.000 -0.070 0.000 0.954 108 Q CA 0.839 56.556 55.803 -0.144 0.000 0.851 108 Q CB -0.312 28.352 28.738 -0.124 0.000 0.928 108 Q HN 0.582 nan 8.270 nan 0.000 0.459 109 F N 1.031 120.787 119.950 -0.323 0.000 2.126 109 F HA -0.246 4.281 4.527 -0.000 0.000 0.299 109 F C 2.330 177.770 175.800 -0.600 0.000 1.096 109 F CA 0.305 57.973 58.000 -0.553 0.000 1.255 109 F CB -0.172 38.221 39.000 -1.011 0.000 0.997 109 F HN 0.104 nan 8.300 nan 0.000 0.479 110 L N 0.705 121.682 121.223 -0.411 0.000 2.042 110 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 110 L C 2.518 179.350 176.870 -0.063 0.000 1.076 110 L CA 1.652 56.375 54.840 -0.196 0.000 0.749 110 L CB -0.412 41.605 42.059 -0.069 0.000 0.893 110 L HN 0.026 nan 8.230 nan 0.000 0.432 111 K N -0.876 119.490 120.400 -0.058 0.000 2.032 111 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 111 K C 1.935 178.527 176.600 -0.014 0.000 1.048 111 K CA 1.890 58.163 56.287 -0.024 0.000 0.927 111 K CB -0.147 32.339 32.500 -0.023 0.000 0.712 111 K HN 0.255 nan 8.250 nan 0.000 0.441 112 V N 0.847 120.750 119.914 -0.019 0.000 2.287 112 V HA -0.377 3.743 4.120 -0.000 0.000 0.248 112 V C 2.457 178.548 176.094 -0.004 0.000 1.053 112 V CA 1.839 64.131 62.300 -0.013 0.000 1.027 112 V CB -0.510 31.299 31.823 -0.024 0.000 0.646 112 V HN 0.501 nan 8.190 nan 0.000 0.447 113 C N -0.377 118.924 119.300 0.003 0.000 2.413 113 C HA -0.161 4.299 4.460 -0.000 0.000 0.276 113 C C 2.737 177.750 174.990 0.037 0.000 1.248 113 C CA 1.084 60.128 59.018 0.042 0.000 1.742 113 C CB -1.007 26.797 27.740 0.107 0.000 2.017 113 C HN 0.565 nan 8.230 nan 0.000 0.481 114 K N 0.751 121.168 120.400 0.029 0.000 2.001 114 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 114 K C 1.908 178.518 176.600 0.016 0.000 1.048 114 K CA 1.408 57.710 56.287 0.025 0.000 0.932 114 K CB -0.308 32.205 32.500 0.021 0.000 0.715 114 K HN 0.545 nan 8.250 nan 0.000 0.437 115 E N 0.712 120.917 120.200 0.009 0.000 2.171 115 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 115 E C 1.849 178.453 176.600 0.006 0.000 0.997 115 E CA 0.943 57.347 56.400 0.006 0.000 0.810 115 E CB 0.107 29.808 29.700 0.002 0.000 0.738 115 E HN 0.212 nan 8.360 nan 0.000 0.467 116 Q N -0.750 119.055 119.800 0.008 0.000 2.403 116 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 116 Q C 0.902 176.910 176.000 0.013 0.000 0.932 116 Q CA 0.722 56.530 55.803 0.008 0.000 0.945 116 Q CB 0.893 29.635 28.738 0.007 0.000 1.045 116 Q HN 0.387 nan 8.270 nan 0.000 0.511 117 G N 2.219 111.029 108.800 0.016 0.000 2.246 117 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.273 117 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.273 117 G C -0.395 174.519 174.900 0.024 0.000 1.055 117 G CA 0.412 45.523 45.100 0.018 0.000 0.851 117 G HN 0.283 nan 8.290 nan 0.000 0.500 118 D N 0.385 120.805 120.400 0.033 0.000 2.505 118 D HA 0.366 5.006 4.640 -0.000 0.000 0.242 118 D C 1.773 178.106 176.300 0.055 0.000 1.136 118 D CA -0.835 53.191 54.000 0.043 0.000 0.954 118 D CB 0.046 40.878 40.800 0.053 0.000 1.002 118 D HN 0.016 nan 8.370 nan 0.000 0.512 119 I N 2.184 122.779 120.570 0.043 0.000 2.179 119 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 119 I C 2.442 178.590 176.117 0.051 0.000 1.088 119 I CA 0.721 62.047 61.300 0.044 0.000 1.357 119 I CB -0.848 37.170 38.000 0.031 0.000 1.051 119 I HN 0.231 nan 8.210 nan 0.000 0.409 120 V N 0.759 120.698 119.914 0.043 0.000 2.295 120 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 120 V C 2.491 178.617 176.094 0.052 0.000 1.049 120 V CA 2.334 64.656 62.300 0.037 0.000 1.024 120 V CB -1.003 30.834 31.823 0.024 0.000 0.648 120 V HN 0.440 nan 8.190 nan 0.000 0.447 121 T N 0.083 114.683 114.554 0.076 0.000 2.951 121 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 121 T C 1.991 176.825 174.700 0.224 0.000 1.073 121 T CA 1.202 63.373 62.100 0.119 0.000 1.134 121 T CB -0.290 68.664 68.868 0.143 0.000 0.884 121 T HN 0.545 nan 8.240 nan 0.000 0.479 122 A N 1.864 124.800 122.820 0.193 0.000 1.969 122 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 122 A C 2.413 180.109 177.584 0.187 0.000 1.169 122 A CA 0.916 53.084 52.037 0.219 0.000 0.635 122 A CB -0.271 18.805 19.000 0.126 0.000 0.810 122 A HN 0.164 nan 8.150 nan 0.000 0.445 123 R N -0.905 119.663 120.500 0.113 0.000 2.073 123 R HA -0.059 4.281 4.340 -0.000 0.000 0.229 123 R C 2.062 178.397 176.300 0.058 0.000 1.120 123 R CA 1.269 57.414 56.100 0.075 0.000 0.967 123 R CB -1.248 29.077 30.300 0.042 0.000 0.862 123 R HN 0.543 nan 8.270 nan 0.000 0.436 124 L N 0.307 121.547 121.223 0.028 0.000 2.043 124 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 124 L C 1.955 178.784 176.870 -0.068 0.000 1.075 124 L CA 1.722 56.522 54.840 -0.067 0.000 0.752 124 L CB -0.701 41.281 42.059 -0.129 0.000 0.891 124 L HN 0.018 nan 8.230 nan 0.000 0.432 125 F N -0.131 119.867 119.950 0.080 0.000 2.259 125 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 125 F C 2.426 178.269 175.800 0.071 0.000 1.088 125 F CA 1.257 59.313 58.000 0.094 0.000 1.358 125 F CB -0.104 38.955 39.000 0.097 0.000 1.040 125 F HN 0.189 nan 8.300 nan 0.000 0.505 126 E N -0.024 120.307 120.200 0.218 0.000 2.072 126 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 126 E C 2.254 178.903 176.600 0.081 0.000 0.985 126 E CA 1.008 57.488 56.400 0.134 0.000 0.801 126 E CB -0.053 29.703 29.700 0.093 0.000 0.750 126 E HN 0.421 nan 8.360 nan 0.000 0.452 127 R N 0.321 120.844 120.500 0.039 0.000 2.073 127 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 127 R C 2.409 178.694 176.300 -0.025 0.000 1.120 127 R CA 0.859 56.959 56.100 -0.000 0.000 0.967 127 R CB -0.257 30.028 30.300 -0.026 0.000 0.862 127 R HN 0.183 nan 8.270 nan 0.000 0.436 128 I N 0.908 121.432 120.570 -0.076 0.000 2.493 128 I HA -0.232 3.937 4.170 -0.000 0.000 0.254 128 I C 2.148 178.269 176.117 0.007 0.000 1.160 128 I CA 1.212 62.399 61.300 -0.187 0.000 1.445 128 I CB -0.110 37.644 38.000 -0.410 0.000 1.086 128 I HN 0.141 nan 8.210 nan 0.000 0.433 129 I N 0.504 121.154 120.570 0.133 0.000 2.353 129 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 129 I C 2.283 178.441 176.117 0.068 0.000 1.119 129 I CA 1.264 62.664 61.300 0.167 0.000 1.417 129 I CB -0.276 37.838 38.000 0.190 0.000 1.078 129 I HN 0.199 nan 8.210 nan 0.000 0.421 130 E N 0.670 120.894 120.200 0.040 0.000 2.204 130 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 130 E C 1.948 178.533 176.600 -0.026 0.000 0.990 130 E CA 1.000 57.407 56.400 0.012 0.000 0.821 130 E CB -0.043 29.664 29.700 0.011 0.000 0.750 130 E HN 0.560 nan 8.360 nan 0.000 0.477 131 E N 0.739 120.910 120.200 -0.047 0.000 2.072 131 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 131 E C 1.974 178.393 176.600 -0.302 0.000 0.982 131 E CA 0.546 56.852 56.400 -0.156 0.000 0.803 131 E CB 0.053 29.716 29.700 -0.062 0.000 0.755 131 E HN 0.193 nan 8.360 nan 0.000 0.453 132 E N 0.946 121.085 120.200 -0.101 0.000 2.160 132 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 132 E C 2.038 178.654 176.600 0.027 0.000 0.991 132 E CA 1.038 57.439 56.400 0.003 0.000 0.810 132 E CB -0.123 29.634 29.700 0.095 0.000 0.742 132 E HN 0.172 nan 8.360 nan 0.000 0.466 133 Q N 0.939 120.742 119.800 0.005 0.000 2.084 133 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 133 Q C 1.996 178.014 176.000 0.030 0.000 0.978 133 Q CA 1.949 57.769 55.803 0.028 0.000 0.844 133 Q CB -0.457 28.293 28.738 0.019 0.000 0.898 133 Q HN 0.208 nan 8.270 nan 0.000 0.426 134 A N -0.296 122.514 122.820 -0.018 0.000 1.908 134 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 134 A C 1.888 179.532 177.584 0.100 0.000 1.181 134 A CA 1.844 53.889 52.037 0.012 0.000 0.627 134 A CB -1.086 17.895 19.000 -0.033 0.000 0.818 134 A HN 0.715 nan 8.150 nan 0.000 0.445 135 H N -1.490 117.594 119.070 0.023 0.000 2.321 135 H HA -0.124 4.432 4.556 -0.000 0.000 0.300 135 H C 2.120 177.467 175.328 0.031 0.000 1.087 135 H CA 1.149 57.177 56.048 -0.034 0.000 1.319 135 H CB -0.109 29.696 29.762 0.072 0.000 1.379 135 H HN 0.438 nan 8.280 nan 0.000 0.501 136 L N 0.705 122.083 121.223 0.258 0.000 1.989 136 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 136 L C 2.221 179.191 176.870 0.165 0.000 1.071 136 L CA 1.911 56.895 54.840 0.240 0.000 0.749 136 L CB -0.908 41.245 42.059 0.157 0.000 0.890 136 L HN 0.107 nan 8.230 nan 0.000 0.431 137 T N -1.199 113.419 114.554 0.107 0.000 2.720 137 T HA -0.274 4.076 4.350 -0.000 0.000 0.268 137 T C 1.638 176.369 174.700 0.053 0.000 1.037 137 T CA 1.969 64.106 62.100 0.063 0.000 1.144 137 T CB -0.605 68.293 68.868 0.051 0.000 0.864 137 T HN 0.557 nan 8.240 nan 0.000 0.444 138 Y N 0.684 120.942 120.300 -0.070 0.000 2.097 138 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 138 Y C 2.082 177.922 175.900 -0.100 0.000 1.152 138 Y CA 1.172 59.190 58.100 -0.137 0.000 1.136 138 Y CB -0.724 37.579 38.460 -0.261 0.000 0.975 138 Y HN 0.338 nan 8.280 nan 0.000 0.498 139 Y N 0.532 120.862 120.300 0.050 0.000 2.165 139 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 139 Y C 2.524 178.365 175.900 -0.099 0.000 1.155 139 Y CA 1.469 59.571 58.100 0.003 0.000 1.164 139 Y CB -0.295 38.231 38.460 0.110 0.000 0.978 139 Y HN 0.231 nan 8.280 nan 0.000 0.513 140 E N 0.067 120.311 120.200 0.073 0.000 2.058 140 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 140 E C 1.855 178.341 176.600 -0.190 0.000 0.997 140 E CA 1.316 57.695 56.400 -0.036 0.000 0.801 140 E CB -0.221 29.464 29.700 -0.024 0.000 0.746 140 E HN 0.460 nan 8.360 nan 0.000 0.450 141 N N 0.672 119.210 118.700 -0.270 0.000 2.084 141 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 141 N C 1.807 176.894 175.510 -0.706 0.000 1.030 141 N CA 0.943 53.706 53.050 -0.477 0.000 0.849 141 N CB -0.188 38.089 38.487 -0.350 0.000 1.012 141 N HN 0.129 nan 8.380 nan 0.000 0.423 142 I N 0.631 120.853 120.570 -0.580 0.000 2.202 142 I HA -0.101 4.069 4.170 -0.000 0.000 0.242 142 I C 2.424 178.222 176.117 -0.532 0.000 1.091 142 I CA 1.033 61.966 61.300 -0.612 0.000 1.368 142 I CB -1.834 35.610 38.000 -0.927 0.000 1.058 142 I HN 0.097 nan 8.210 nan 0.000 0.410 143 G N 0.686 109.269 108.800 -0.362 0.000 2.513 143 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 143 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 143 G C 1.834 176.603 174.900 -0.219 0.000 1.160 143 G CA 1.303 46.300 45.100 -0.171 0.000 0.767 143 G HN 0.412 nan 8.290 nan 0.000 0.571 144 S N -0.006 115.507 115.700 -0.312 0.000 2.356 144 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 144 S C 2.127 176.539 174.600 -0.313 0.000 1.032 144 S CA 1.222 59.237 58.200 -0.309 0.000 1.005 144 S CB -0.425 62.546 63.200 -0.382 0.000 0.867 144 S HN 0.521 nan 8.310 nan 0.000 0.449 145 H N 0.785 119.622 119.070 -0.389 0.000 2.353 145 H HA 0.078 4.634 4.556 -0.000 0.000 0.300 145 H C 2.114 177.158 175.328 -0.472 0.000 1.090 145 H CA 0.980 56.686 56.048 -0.571 0.000 1.327 145 H CB -0.564 28.524 29.762 -1.123 0.000 1.383 145 H HN 0.350 nan 8.280 nan 0.000 0.508 146 I N 0.829 121.244 120.570 -0.257 0.000 2.394 146 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 146 I C 2.761 178.845 176.117 -0.056 0.000 1.136 146 I CA 1.466 62.706 61.300 -0.101 0.000 1.425 146 I CB -0.141 37.822 38.000 -0.062 0.000 1.079 146 I HN 0.262 nan 8.210 nan 0.000 0.425 147 K N 0.206 120.560 120.400 -0.078 0.000 2.031 147 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 147 K C 1.721 178.296 176.600 -0.041 0.000 1.049 147 K CA 1.537 57.795 56.287 -0.049 0.000 0.939 147 K CB -0.849 31.616 32.500 -0.057 0.000 0.717 147 K HN 0.310 nan 8.250 nan 0.000 0.438 148 N N -0.266 118.400 118.700 -0.056 0.000 2.424 148 N HA 0.137 4.877 4.740 -0.000 0.000 0.178 148 N C 1.229 176.728 175.510 -0.019 0.000 1.060 148 N CA 0.956 53.985 53.050 -0.035 0.000 0.901 148 N CB 0.529 38.993 38.487 -0.038 0.000 0.979 148 N HN 0.426 nan 8.380 nan 0.000 0.451 149 L N -1.694 119.518 121.223 -0.018 0.000 3.076 149 L HA 0.305 4.645 4.340 -0.000 0.000 0.271 149 L C 1.399 178.294 176.870 0.042 0.000 1.152 149 L CA 0.163 55.011 54.840 0.014 0.000 0.996 149 L CB 0.179 42.250 42.059 0.019 0.000 1.453 149 L HN 0.018 nan 8.230 nan 0.000 0.571 150 G N 1.460 110.282 108.800 0.036 0.000 2.622 150 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.307 150 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.307 150 G C 0.460 175.403 174.900 0.071 0.000 1.226 150 G CA 0.772 45.900 45.100 0.047 0.000 0.997 150 G HN 0.238 nan 8.290 nan 0.000 0.551 151 D N 0.160 120.590 120.400 0.049 0.000 2.224 151 D HA 0.046 4.686 4.640 -0.000 0.000 0.205 151 D C 2.707 179.030 176.300 0.037 0.000 0.965 151 D CA 1.733 55.758 54.000 0.043 0.000 0.852 151 D CB -0.559 40.265 40.800 0.041 0.000 0.947 151 D HN 0.431 nan 8.370 nan 0.000 0.494 152 T N -0.228 114.353 114.554 0.046 0.000 2.821 152 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 152 T C 1.759 176.486 174.700 0.045 0.000 1.046 152 T CA 0.668 62.791 62.100 0.038 0.000 1.139 152 T CB -0.305 68.585 68.868 0.037 0.000 0.871 152 T HN 0.214 nan 8.240 nan 0.000 0.454 153 Y N 1.655 121.919 120.300 -0.059 0.000 2.220 153 Y HA 0.108 4.658 4.550 -0.000 0.000 0.291 153 Y C 1.874 177.713 175.900 -0.103 0.000 1.129 153 Y CA 0.832 58.876 58.100 -0.094 0.000 1.161 153 Y CB -0.448 37.944 38.460 -0.113 0.000 0.997 153 Y HN 0.102 nan 8.280 nan 0.000 0.522 154 L N -0.346 120.755 121.223 -0.203 0.000 2.217 154 L HA -0.093 4.247 4.340 -0.000 0.000 0.211 154 L C 2.685 179.486 176.870 -0.114 0.000 1.107 154 L CA 0.841 55.475 54.840 -0.342 0.000 0.783 154 L CB -0.847 41.037 42.059 -0.291 0.000 0.919 154 L HN 0.329 nan 8.230 nan 0.000 0.442 155 A N 0.529 123.321 122.820 -0.047 0.000 1.972 155 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 155 A C 2.374 179.938 177.584 -0.032 0.000 1.169 155 A CA 1.951 53.991 52.037 0.004 0.000 0.635 155 A CB -0.375 18.628 19.000 0.005 0.000 0.810 155 A HN 0.371 nan 8.150 nan 0.000 0.446 156 K N -0.752 119.580 120.400 -0.113 0.000 2.288 156 K HA -0.030 4.290 4.320 -0.000 0.000 0.201 156 K C 1.295 177.813 176.600 -0.137 0.000 1.048 156 K CA 1.082 57.293 56.287 -0.126 0.000 0.956 156 K CB -0.077 32.325 32.500 -0.163 0.000 0.746 156 K HN 0.355 nan 8.250 nan 0.000 0.461 157 I N 1.536 121.998 120.570 -0.180 0.000 2.867 157 I HA 0.086 4.256 4.170 -0.000 0.000 0.265 157 I C 0.857 177.051 176.117 0.129 0.000 1.162 157 I CA 0.130 61.377 61.300 -0.088 0.000 1.471 157 I CB -1.270 36.592 38.000 -0.229 0.000 1.123 157 I HN 0.039 nan 8.210 nan 0.000 0.440 158 A N 1.106 124.059 122.820 0.222 0.000 2.573 158 A HA 0.339 4.659 4.320 -0.000 0.000 0.250 158 A C 1.564 179.161 177.584 0.022 0.000 1.049 158 A CA 1.065 53.183 52.037 0.135 0.000 0.767 158 A CB -0.764 18.309 19.000 0.122 0.000 0.965 158 A HN 0.843 nan 8.150 nan 0.000 0.514 159 G N 2.032 110.819 108.800 -0.023 0.000 2.234 159 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 159 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 159 G C 0.647 175.544 174.900 -0.004 0.000 0.997 159 G CA 0.847 45.934 45.100 -0.022 0.000 0.623 159 G HN 2.043 nan 8.290 nan 0.000 0.514 160 T N 0.582 115.144 114.554 0.013 0.000 2.856 160 T HA 0.521 4.871 4.350 -0.000 0.000 0.306 160 T C -1.992 172.721 174.700 0.021 0.000 1.062 160 T CA -0.727 61.382 62.100 0.016 0.000 1.083 160 T CB 1.240 70.121 68.868 0.021 0.000 0.984 160 T HN 0.162 nan 8.240 nan 0.000 0.542 161 P HA 0.167 nan 4.420 nan 0.000 0.267 161 P C 0.440 177.763 177.300 0.039 0.000 1.200 161 P CA -0.364 62.751 63.100 0.024 0.000 0.772 161 P CB 0.532 32.243 31.700 0.019 0.000 0.855 162 S N -0.705 115.022 115.700 0.045 0.000 2.559 162 S HA 0.103 4.573 4.470 -0.000 0.000 0.226 162 S C 0.851 175.492 174.600 0.068 0.000 1.000 162 S CA -0.275 57.967 58.200 0.070 0.000 0.948 162 S CB -0.309 62.938 63.200 0.078 0.000 0.870 162 S HN 0.416 nan 8.310 nan 0.000 0.497 163 S N 2.765 118.492 115.700 0.045 0.000 2.558 163 S HA 0.165 4.635 4.470 -0.000 0.000 0.291 163 S C 1.091 175.705 174.600 0.023 0.000 1.306 163 S CA 0.720 58.940 58.200 0.034 0.000 1.056 163 S CB 0.385 63.599 63.200 0.022 0.000 0.836 163 S HN 0.642 nan 8.310 nan 0.000 0.504 164 T N 1.336 115.897 114.554 0.012 0.000 3.132 164 T HA 0.590 4.940 4.350 -0.000 0.000 0.274 164 T C 0.792 175.485 174.700 -0.013 0.000 1.011 164 T CA 0.269 62.364 62.100 -0.009 0.000 0.899 164 T CB -0.273 68.575 68.868 -0.033 0.000 1.089 164 T HN 1.433 nan 8.240 nan 0.000 0.543 165 G N 0.830 109.628 108.800 -0.004 0.000 2.373 165 G HA2 0.148 4.108 3.960 -0.000 0.000 0.634 165 G HA3 0.148 4.108 3.960 -0.000 0.000 0.634 165 G C -0.404 174.495 174.900 -0.002 0.000 1.267 165 G CA -0.476 44.621 45.100 -0.005 0.000 1.008 165 G HN 0.526 nan 8.290 nan 0.000 0.497 166 T N -0.081 114.471 114.554 -0.003 0.000 2.860 166 T HA 0.626 4.976 4.350 -0.000 0.000 0.299 166 T C 1.242 175.941 174.700 -0.001 0.000 1.045 166 T CA 1.208 63.308 62.100 -0.001 0.000 1.071 166 T CB 0.180 69.046 68.868 -0.003 0.000 0.985 166 T HN 2.163 nan 8.240 nan 0.000 0.537 167 A N 3.425 126.246 122.820 0.003 0.000 2.520 167 A HA 0.387 4.707 4.320 -0.000 0.000 0.235 167 A C 0.945 178.530 177.584 0.002 0.000 1.065 167 A CA 0.122 52.162 52.037 0.005 0.000 0.764 167 A CB -0.371 18.635 19.000 0.009 0.000 1.002 167 A HN 1.425 nan 8.150 nan 0.000 0.502 168 S N 2.022 117.724 115.700 0.003 0.000 3.106 168 S HA -0.015 4.455 4.470 -0.000 0.000 0.363 168 S C 0.099 174.704 174.600 0.008 0.000 1.191 168 S CA 0.205 58.407 58.200 0.003 0.000 1.191 168 S CB -0.325 62.879 63.200 0.007 0.000 0.884 168 S HN 0.627 nan 8.310 nan 0.000 0.526 169 K N 2.739 123.142 120.400 0.005 0.000 2.436 169 K HA 0.335 4.655 4.320 -0.000 0.000 0.282 169 K C 0.799 177.413 176.600 0.023 0.000 1.044 169 K CA 0.379 56.670 56.287 0.007 0.000 1.028 169 K CB 0.070 32.571 32.500 0.002 0.000 0.919 169 K HN 0.850 nan 8.250 nan 0.000 0.474 170 G N 1.996 110.815 108.800 0.032 0.000 3.222 170 G HA2 0.201 4.161 3.960 -0.000 0.000 0.263 170 G HA3 0.201 4.161 3.960 -0.000 0.000 0.263 170 G C -0.426 174.533 174.900 0.098 0.000 1.312 170 G CA -0.574 44.569 45.100 0.072 0.000 0.934 170 G HN 0.566 nan 8.290 nan 0.000 0.577 171 F N 0.322 120.272 119.950 0.000 0.000 2.262 171 F HA 0.214 4.741 4.527 0.000 0.000 0.292 171 F C 1.680 177.480 175.800 0.001 0.000 1.081 171 F CA 0.982 58.983 58.000 0.000 0.000 1.355 171 F CB 0.008 39.008 39.000 0.001 0.000 1.069 171 F HN 0.280 nan 8.300 nan 0.000 0.506 172 V N 0.000 119.966 119.914 0.087 0.000 2.409 172 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 172 V CA 0.000 62.292 62.300 -0.014 0.000 1.235 172 V CB 0.000 31.863 31.823 0.068 0.000 1.184 172 V HN 0.000 nan 8.190 nan 0.000 0.556