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_D 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 0.000 174.901 174.900 0.001 0.000 0.946 3 G CA 0.000 45.100 45.100 0.001 0.000 0.502 4 N N -0.713 117.988 118.700 0.000 0.000 2.347 4 N HA 0.248 4.987 4.740 -0.000 0.000 0.253 4 N C 1.079 176.589 175.510 0.001 0.000 1.274 4 N CA -0.743 52.308 53.050 0.001 0.000 0.941 4 N CB 1.173 39.660 38.487 -0.000 0.000 1.200 4 N HN 0.271 nan 8.380 nan 0.000 0.514 5 R N -0.184 120.317 120.500 0.001 0.000 2.083 5 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 5 R C 2.467 178.768 176.300 0.001 0.000 1.137 5 R CA 2.216 58.317 56.100 0.002 0.000 0.951 5 R CB -1.613 28.688 30.300 0.002 0.000 0.851 5 R HN 0.915 nan 8.270 nan 0.000 0.434 6 E N 1.253 121.453 120.200 -0.000 0.000 2.107 6 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 6 E C 1.719 178.317 176.600 -0.003 0.000 0.982 6 E CA 1.275 57.674 56.400 -0.002 0.000 0.809 6 E CB -0.518 29.180 29.700 -0.002 0.000 0.756 6 E HN 0.318 nan 8.360 nan 0.000 0.459 7 D N -0.271 120.127 120.400 -0.003 0.000 2.144 7 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 7 D C 2.230 178.527 176.300 -0.004 0.000 0.984 7 D CA 1.019 55.017 54.000 -0.004 0.000 0.834 7 D CB -0.016 40.781 40.800 -0.004 0.000 0.955 7 D HN 0.348 nan 8.370 nan 0.000 0.465 8 R N 0.489 120.988 120.500 -0.001 0.000 2.075 8 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 8 R C 2.438 178.738 176.300 0.000 0.000 1.126 8 R CA 0.972 57.073 56.100 0.001 0.000 0.963 8 R CB 0.091 30.394 30.300 0.004 0.000 0.858 8 R HN 0.094 nan 8.270 nan 0.000 0.435 9 K N 0.159 120.559 120.400 -0.000 0.000 2.025 9 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 9 K C 2.165 178.760 176.600 -0.008 0.000 1.049 9 K CA 1.348 57.635 56.287 -0.001 0.000 0.933 9 K CB -0.137 32.362 32.500 -0.001 0.000 0.714 9 K HN 0.138 nan 8.250 nan 0.000 0.438 10 A N 1.782 124.595 122.820 -0.011 0.000 1.902 10 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 10 A C 1.907 179.475 177.584 -0.027 0.000 1.181 10 A CA 1.522 53.548 52.037 -0.018 0.000 0.623 10 A CB -0.268 18.723 19.000 -0.015 0.000 0.818 10 A HN 0.176 nan 8.150 nan 0.000 0.443 11 K N -0.574 119.812 120.400 -0.023 0.000 2.097 11 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 11 K C 1.838 178.412 176.600 -0.043 0.000 1.050 11 K CA 1.224 57.492 56.287 -0.032 0.000 0.938 11 K CB -0.193 32.295 32.500 -0.020 0.000 0.718 11 K HN 0.326 nan 8.250 nan 0.000 0.442 12 V N 1.556 121.456 119.914 -0.023 0.000 2.379 12 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 12 V C 2.092 178.166 176.094 -0.033 0.000 1.044 12 V CA 1.412 63.705 62.300 -0.011 0.000 1.036 12 V CB -0.306 31.530 31.823 0.022 0.000 0.664 12 V HN 0.259 nan 8.190 nan 0.000 0.453 13 I N 0.135 120.685 120.570 -0.034 0.000 2.264 13 I HA -0.283 3.886 4.170 -0.000 0.000 0.248 13 I C 2.593 178.658 176.117 -0.087 0.000 1.111 13 I CA 1.908 63.180 61.300 -0.047 0.000 1.382 13 I CB -0.305 37.676 38.000 -0.031 0.000 1.060 13 I HN 0.425 nan 8.210 nan 0.000 0.418 14 E N 0.784 120.927 120.200 -0.094 0.000 2.077 14 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 14 E C 2.225 178.683 176.600 -0.237 0.000 0.989 14 E CA 2.079 58.401 56.400 -0.129 0.000 0.800 14 E CB 0.108 29.748 29.700 -0.100 0.000 0.746 14 E HN 0.462 nan 8.360 nan 0.000 0.452 15 V N -1.111 118.620 119.914 -0.305 0.000 2.871 15 V HA -0.080 4.040 4.120 -0.000 0.000 0.256 15 V C 2.214 177.938 176.094 -0.615 0.000 1.082 15 V CA 0.841 62.743 62.300 -0.663 0.000 1.105 15 V CB -0.453 30.949 31.823 -0.702 0.000 0.713 15 V HN 0.184 nan 8.190 nan 0.000 0.473 16 L N 0.568 121.622 121.223 -0.283 0.000 2.093 16 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 16 L C 2.677 179.351 176.870 -0.327 0.000 1.085 16 L CA 1.686 56.360 54.840 -0.277 0.000 0.755 16 L CB -0.654 41.335 42.059 -0.116 0.000 0.904 16 L HN 0.350 nan 8.230 nan 0.000 0.435 17 N N -0.141 118.426 118.700 -0.221 0.000 2.331 17 N HA -0.119 4.621 4.740 -0.000 0.000 0.180 17 N C 1.717 177.134 175.510 -0.155 0.000 1.019 17 N CA 0.898 53.861 53.050 -0.144 0.000 0.881 17 N CB 0.099 38.532 38.487 -0.091 0.000 0.972 17 N HN 0.311 nan 8.380 nan 0.000 0.435 18 K N 0.665 120.915 120.400 -0.250 0.000 2.025 18 K HA 0.017 4.337 4.320 -0.000 0.000 0.207 18 K C 1.991 178.557 176.600 -0.056 0.000 1.049 18 K CA 1.122 57.302 56.287 -0.179 0.000 0.933 18 K CB -0.075 32.230 32.500 -0.325 0.000 0.714 18 K HN 0.075 nan 8.250 nan 0.000 0.438 19 A N 1.643 124.325 122.820 -0.229 0.000 1.902 19 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 19 A C 2.121 179.636 177.584 -0.115 0.000 1.181 19 A CA 1.443 53.406 52.037 -0.124 0.000 0.623 19 A CB -0.482 18.036 19.000 -0.804 0.000 0.818 19 A HN 0.228 nan 8.150 nan 0.000 0.443 20 R N -0.387 119.980 120.500 -0.223 0.000 2.105 20 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 20 R C 2.250 178.637 176.300 0.145 0.000 1.135 20 R CA 1.439 57.589 56.100 0.084 0.000 0.967 20 R CB -0.385 29.956 30.300 0.068 0.000 0.861 20 R HN 0.451 nan 8.270 nan 0.000 0.442 21 A N 0.550 123.422 122.820 0.087 0.000 1.933 21 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 21 A C 2.140 179.822 177.584 0.164 0.000 1.175 21 A CA 1.467 53.568 52.037 0.107 0.000 0.628 21 A CB -0.353 18.683 19.000 0.060 0.000 0.814 21 A HN 0.351 nan 8.150 nan 0.000 0.444 22 M N -0.769 118.952 119.600 0.201 0.000 2.132 22 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 22 M C 2.015 178.490 176.300 0.291 0.000 1.065 22 M CA 1.222 56.664 55.300 0.236 0.000 1.122 22 M CB -0.292 32.486 32.600 0.298 0.000 1.365 22 M HN 0.335 nan 8.290 nan 0.000 0.411 23 E N 0.649 121.059 120.200 0.349 0.000 2.051 23 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 23 E C 2.108 178.853 176.600 0.242 0.000 0.991 23 E CA 1.267 57.876 56.400 0.349 0.000 0.799 23 E CB -0.529 29.444 29.700 0.455 0.000 0.748 23 E HN 0.533 nan 8.360 nan 0.000 0.449 24 L N 0.835 122.201 121.223 0.238 0.000 2.079 24 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 24 L C 2.815 179.861 176.870 0.292 0.000 1.081 24 L CA 1.313 56.298 54.840 0.243 0.000 0.752 24 L CB -0.685 41.503 42.059 0.214 0.000 0.896 24 L HN 0.275 nan 8.230 nan 0.000 0.433 25 H N 0.555 119.702 119.070 0.128 0.000 2.321 25 H HA -0.162 4.394 4.556 -0.000 0.000 0.300 25 H C 2.116 177.436 175.328 -0.014 0.000 1.087 25 H CA 1.708 57.794 56.048 0.063 0.000 1.319 25 H CB 0.279 30.050 29.762 0.014 0.000 1.379 25 H HN 0.316 nan 8.280 nan 0.000 0.501 26 A N 1.145 123.954 122.820 -0.019 0.000 1.933 26 A HA -0.101 4.218 4.320 -0.000 0.000 0.218 26 A C 2.764 180.097 177.584 -0.417 0.000 1.175 26 A CA 1.412 53.213 52.037 -0.393 0.000 0.628 26 A CB -0.767 18.110 19.000 -0.204 0.000 0.814 26 A HN 0.465 nan 8.150 nan 0.000 0.444 27 I N -1.253 119.239 120.570 -0.129 0.000 2.226 27 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 27 I C 2.372 178.364 176.117 -0.209 0.000 1.100 27 I CA 1.678 62.896 61.300 -0.137 0.000 1.374 27 I CB -0.468 37.446 38.000 -0.144 0.000 1.057 27 I HN 0.397 nan 8.210 nan 0.000 0.413 28 H N -0.610 118.367 119.070 -0.154 0.000 2.363 28 H HA -0.163 4.393 4.556 -0.000 0.000 0.301 28 H C 2.145 177.372 175.328 -0.168 0.000 1.074 28 H CA 1.272 57.247 56.048 -0.122 0.000 1.354 28 H CB -0.096 29.595 29.762 -0.117 0.000 1.397 28 H HN 0.219 nan 8.280 nan 0.000 0.516 29 Q N 0.207 119.864 119.800 -0.238 0.000 2.050 29 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 29 Q C 1.675 177.636 176.000 -0.066 0.000 0.980 29 Q CA 1.696 57.343 55.803 -0.261 0.000 0.840 29 Q CB -0.407 28.015 28.738 -0.527 0.000 0.898 29 Q HN 0.686 nan 8.270 nan 0.000 0.424 30 Y N -1.463 118.780 120.300 -0.096 0.000 2.263 30 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 30 Y C 2.095 177.929 175.900 -0.110 0.000 1.130 30 Y CA 0.212 58.261 58.100 -0.085 0.000 1.179 30 Y CB 0.058 38.489 38.460 -0.049 0.000 0.998 30 Y HN 0.165 nan 8.280 nan 0.000 0.532 31 M N 0.186 119.782 119.600 -0.006 0.000 2.254 31 M HA -0.216 4.264 4.480 -0.000 0.000 0.265 31 M C 1.892 178.015 176.300 -0.294 0.000 1.066 31 M CA 1.033 56.203 55.300 -0.218 0.000 1.123 31 M CB -1.217 31.253 32.600 -0.218 0.000 1.388 31 M HN 0.380 nan 8.290 nan 0.000 0.425 32 N N 0.638 119.337 118.700 -0.002 0.000 2.104 32 N HA -0.215 4.525 4.740 -0.000 0.000 0.190 32 N C 1.547 177.106 175.510 0.082 0.000 1.024 32 N CA 1.499 54.638 53.050 0.148 0.000 0.853 32 N CB 0.053 38.614 38.487 0.124 0.000 1.008 32 N HN 0.531 nan 8.380 nan 0.000 0.424 33 Q N -0.915 118.905 119.800 0.033 0.000 2.119 33 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 33 Q C 1.974 177.984 176.000 0.016 0.000 0.972 33 Q CA 1.425 57.240 55.803 0.020 0.000 0.847 33 Q CB -0.295 28.433 28.738 -0.016 0.000 0.903 33 Q HN 0.579 nan 8.270 nan 0.000 0.433 34 H N -0.046 118.949 119.070 -0.126 0.000 2.319 34 H HA -0.197 4.359 4.556 -0.000 0.000 0.299 34 H C 1.409 176.671 175.328 -0.109 0.000 1.092 34 H CA 1.986 57.941 56.048 -0.155 0.000 1.302 34 H CB -0.299 29.285 29.762 -0.296 0.000 1.373 34 H HN 0.340 nan 8.280 nan 0.000 0.497 35 Y N -0.228 120.028 120.300 -0.073 0.000 2.224 35 Y HA -0.195 4.355 4.550 -0.000 0.000 0.289 35 Y C 2.961 178.799 175.900 -0.103 0.000 1.146 35 Y CA 0.812 58.840 58.100 -0.121 0.000 1.182 35 Y CB -0.101 38.362 38.460 0.005 0.000 0.983 35 Y HN 0.225 nan 8.280 nan 0.000 0.524 36 S N 0.356 116.108 115.700 0.086 0.000 2.355 36 S HA -0.132 4.338 4.470 -0.000 0.000 0.222 36 S C 1.973 176.594 174.600 0.035 0.000 1.031 36 S CA 1.074 59.310 58.200 0.060 0.000 0.993 36 S CB -0.512 62.730 63.200 0.069 0.000 0.859 36 S HN 0.323 nan 8.310 nan 0.000 0.453 37 L N 1.103 122.345 121.223 0.031 0.000 2.083 37 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 37 L C 2.233 179.109 176.870 0.009 0.000 1.083 37 L CA 1.175 56.074 54.840 0.098 0.000 0.752 37 L CB -0.482 41.671 42.059 0.157 0.000 0.899 37 L HN 0.210 nan 8.230 nan 0.000 0.433 38 D N -0.231 120.095 120.400 -0.125 0.000 2.149 38 D HA -0.204 4.436 4.640 -0.000 0.000 0.201 38 D C 1.792 178.045 176.300 -0.079 0.000 0.972 38 D CA 0.916 54.841 54.000 -0.126 0.000 0.835 38 D CB 0.091 40.741 40.800 -0.251 0.000 0.966 38 D HN 0.199 nan 8.370 nan 0.000 0.476 39 D N -0.759 119.606 120.400 -0.057 0.000 2.144 39 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 39 D C 1.797 178.043 176.300 -0.089 0.000 0.984 39 D CA 0.953 54.925 54.000 -0.047 0.000 0.834 39 D CB -0.027 40.764 40.800 -0.015 0.000 0.955 39 D HN 0.215 nan 8.370 nan 0.000 0.465 40 M N -0.602 118.927 119.600 -0.118 0.000 2.619 40 M HA -0.013 4.467 4.480 -0.000 0.000 0.251 40 M C 0.195 176.218 176.300 -0.463 0.000 1.106 40 M CA 0.654 55.796 55.300 -0.264 0.000 1.086 40 M CB 0.185 32.643 32.600 -0.236 0.000 1.465 40 M HN -0.095 nan 8.290 nan 0.000 0.506 41 D N -0.068 120.169 120.400 -0.271 0.000 2.746 41 D HA -0.230 4.410 4.640 -0.000 0.000 0.236 41 D C -1.241 174.919 176.300 -0.233 0.000 1.129 41 D CA 0.734 54.605 54.000 -0.216 0.000 0.691 41 D CB -1.466 39.218 40.800 -0.194 0.000 1.077 41 D HN 0.545 nan 8.370 nan 0.000 0.432 42 Y N -0.862 119.445 120.300 0.012 0.000 2.907 42 Y HA 0.437 4.987 4.550 -0.000 0.000 0.332 42 Y C 1.969 177.887 175.900 0.030 0.000 1.211 42 Y CA -0.605 57.506 58.100 0.018 0.000 1.387 42 Y CB 0.858 39.344 38.460 0.043 0.000 1.396 42 Y HN 0.164 nan 8.280 nan 0.000 0.519 43 G N 0.870 109.758 108.800 0.147 0.000 2.514 43 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.217 43 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.217 43 G C 1.433 176.405 174.900 0.119 0.000 1.198 43 G CA 1.097 46.260 45.100 0.105 0.000 0.780 43 G HN 0.601 nan 8.290 nan 0.000 0.565 44 E N -0.061 120.202 120.200 0.105 0.000 2.085 44 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 44 E C 2.633 179.325 176.600 0.154 0.000 0.994 44 E CA 0.694 57.155 56.400 0.101 0.000 0.801 44 E CB -0.184 29.556 29.700 0.068 0.000 0.743 44 E HN 0.483 nan 8.360 nan 0.000 0.453 45 L N 0.130 121.466 121.223 0.190 0.000 2.046 45 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 45 L C 2.677 179.716 176.870 0.282 0.000 1.077 45 L CA 1.086 56.093 54.840 0.279 0.000 0.747 45 L CB -0.488 41.740 42.059 0.283 0.000 0.896 45 L HN 0.195 nan 8.230 nan 0.000 0.432 46 A N -0.033 122.925 122.820 0.231 0.000 1.898 46 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 46 A C 2.532 180.300 177.584 0.307 0.000 1.181 46 A CA 1.606 53.785 52.037 0.235 0.000 0.620 46 A CB -0.631 18.420 19.000 0.086 0.000 0.819 46 A HN 0.395 nan 8.150 nan 0.000 0.442 47 A N 0.451 123.384 122.820 0.188 0.000 1.858 47 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 47 A C 1.966 179.568 177.584 0.030 0.000 1.190 47 A CA 1.829 53.929 52.037 0.105 0.000 0.617 47 A CB -0.703 18.337 19.000 0.067 0.000 0.827 47 A HN 0.528 nan 8.150 nan 0.000 0.443 48 N N -0.954 117.763 118.700 0.027 0.000 2.166 48 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 48 N C 1.627 177.060 175.510 -0.128 0.000 1.019 48 N CA 1.803 54.786 53.050 -0.113 0.000 0.856 48 N CB -0.428 37.956 38.487 -0.172 0.000 0.993 48 N HN 0.500 nan 8.380 nan 0.000 0.426 49 M N 1.608 121.235 119.600 0.046 0.000 2.117 49 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 49 M C 1.919 178.170 176.300 -0.081 0.000 1.065 49 M CA 1.606 56.927 55.300 0.034 0.000 1.114 49 M CB -0.214 32.477 32.600 0.152 0.000 1.361 49 M HN -0.014 nan 8.290 nan 0.000 0.408 50 K N -0.371 119.950 120.400 -0.130 0.000 2.057 50 K HA -0.113 4.207 4.320 -0.000 0.000 0.206 50 K C 1.849 178.323 176.600 -0.209 0.000 1.050 50 K CA 1.359 57.459 56.287 -0.312 0.000 0.935 50 K CB -0.284 31.869 32.500 -0.577 0.000 0.715 50 K HN 0.443 nan 8.250 nan 0.000 0.439 51 L N 0.841 121.959 121.223 -0.175 0.000 2.131 51 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 51 L C 2.328 179.084 176.870 -0.190 0.000 1.092 51 L CA 1.034 55.777 54.840 -0.162 0.000 0.759 51 L CB -0.269 41.697 42.059 -0.154 0.000 0.903 51 L HN 0.257 nan 8.230 nan 0.000 0.435 52 I N -0.485 119.927 120.570 -0.262 0.000 2.353 52 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 52 I C 2.757 178.755 176.117 -0.198 0.000 1.119 52 I CA 0.888 61.958 61.300 -0.382 0.000 1.417 52 I CB -0.351 37.265 38.000 -0.639 0.000 1.078 52 I HN 0.165 nan 8.210 nan 0.000 0.421 53 A N 1.143 123.920 122.820 -0.072 0.000 1.940 53 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 53 A C 2.263 179.815 177.584 -0.053 0.000 1.176 53 A CA 1.492 53.545 52.037 0.027 0.000 0.631 53 A CB -0.809 18.185 19.000 -0.009 0.000 0.814 53 A HN 0.398 nan 8.150 nan 0.000 0.446 54 I N -0.176 120.334 120.570 -0.099 0.000 2.361 54 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 54 I C 1.690 177.739 176.117 -0.113 0.000 1.133 54 I CA 1.277 62.519 61.300 -0.097 0.000 1.413 54 I CB -0.456 37.486 38.000 -0.097 0.000 1.073 54 I HN 0.227 nan 8.210 nan 0.000 0.424 55 D N 0.827 121.150 120.400 -0.128 0.000 2.144 55 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 55 D C 2.125 178.152 176.300 -0.455 0.000 0.984 55 D CA 1.072 54.945 54.000 -0.211 0.000 0.834 55 D CB -0.191 40.599 40.800 -0.016 0.000 0.955 55 D HN 0.344 nan 8.370 nan 0.000 0.465 56 E N 0.089 120.170 120.200 -0.198 0.000 2.152 56 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 56 E C 2.222 178.814 176.600 -0.013 0.000 0.983 56 E CA 0.319 56.683 56.400 -0.060 0.000 0.818 56 E CB -0.280 29.506 29.700 0.143 0.000 0.758 56 E HN 0.421 nan 8.360 nan 0.000 0.467 57 M N 0.395 119.968 119.600 -0.046 0.000 2.117 57 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 57 M C 2.514 178.801 176.300 -0.023 0.000 1.065 57 M CA 1.507 56.794 55.300 -0.021 0.000 1.114 57 M CB -0.280 32.295 32.600 -0.041 0.000 1.361 57 M HN -0.031 nan 8.290 nan 0.000 0.408 58 R N -0.349 120.105 120.500 -0.077 0.000 2.115 58 R HA -0.122 4.218 4.340 -0.000 0.000 0.226 58 R C 1.767 178.059 176.300 -0.014 0.000 1.100 58 R CA 1.488 57.555 56.100 -0.055 0.000 0.980 58 R CB -0.263 29.997 30.300 -0.068 0.000 0.875 58 R HN 0.537 nan 8.270 nan 0.000 0.445 59 H N -0.435 118.593 119.070 -0.070 0.000 2.293 59 H HA -0.044 4.512 4.556 -0.000 0.000 0.300 59 H C 2.156 177.346 175.328 -0.230 0.000 1.082 59 H CA 0.938 56.850 56.048 -0.226 0.000 1.308 59 H CB 0.018 29.765 29.762 -0.024 0.000 1.375 59 H HN 0.397 nan 8.280 nan 0.000 0.495 60 A N 1.096 124.033 122.820 0.196 0.000 1.940 60 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 60 A C 2.195 179.859 177.584 0.134 0.000 1.176 60 A CA 1.975 54.163 52.037 0.252 0.000 0.631 60 A CB -0.489 18.631 19.000 0.199 0.000 0.814 60 A HN 0.572 nan 8.150 nan 0.000 0.446 61 E N -0.259 119.969 120.200 0.048 0.000 2.047 61 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 61 E C 1.816 178.401 176.600 -0.024 0.000 0.987 61 E CA 1.413 57.822 56.400 0.015 0.000 0.799 61 E CB -0.187 29.512 29.700 -0.002 0.000 0.752 61 E HN 0.713 nan 8.360 nan 0.000 0.449 62 N N -0.597 118.036 118.700 -0.111 0.000 2.188 62 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 62 N C 1.495 176.904 175.510 -0.168 0.000 1.018 62 N CA 1.198 54.138 53.050 -0.184 0.000 0.858 62 N CB -0.136 38.169 38.487 -0.303 0.000 0.989 62 N HN 0.160 nan 8.380 nan 0.000 0.426 63 F N 0.690 120.592 119.950 -0.080 0.000 2.134 63 F HA -0.144 4.383 4.527 -0.000 0.000 0.299 63 F C 2.458 178.214 175.800 -0.073 0.000 1.097 63 F CA 0.655 58.581 58.000 -0.124 0.000 1.264 63 F CB -0.199 38.735 39.000 -0.110 0.000 1.001 63 F HN 0.084 nan 8.300 nan 0.000 0.479 64 A N 0.111 123.021 122.820 0.150 0.000 1.933 64 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 64 A C 1.969 179.577 177.584 0.040 0.000 1.175 64 A CA 1.713 53.798 52.037 0.080 0.000 0.628 64 A CB -0.670 18.371 19.000 0.068 0.000 0.814 64 A HN 0.436 nan 8.150 nan 0.000 0.444 65 E N -0.953 119.259 120.200 0.020 0.000 2.106 65 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 65 E C 2.279 178.880 176.600 0.002 0.000 0.984 65 E CA 1.088 57.490 56.400 0.003 0.000 0.806 65 E CB -0.117 29.575 29.700 -0.014 0.000 0.750 65 E HN 0.402 nan 8.360 nan 0.000 0.458 66 R N 1.362 121.863 120.500 0.002 0.000 2.075 66 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 66 R C 1.983 178.290 176.300 0.012 0.000 1.126 66 R CA 1.121 57.222 56.100 0.003 0.000 0.963 66 R CB -0.628 29.670 30.300 -0.003 0.000 0.858 66 R HN 0.160 nan 8.270 nan 0.000 0.435 67 I N 0.839 121.422 120.570 0.022 0.000 2.151 67 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 67 I C 2.014 178.136 176.117 0.008 0.000 1.080 67 I CA 1.453 62.761 61.300 0.012 0.000 1.339 67 I CB -0.238 37.771 38.000 0.015 0.000 1.039 67 I HN 0.069 nan 8.210 nan 0.000 0.409 68 K N 0.663 121.069 120.400 0.010 0.000 2.097 68 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 68 K C 1.907 178.509 176.600 0.003 0.000 1.049 68 K CA 1.320 57.611 56.287 0.006 0.000 0.933 68 K CB -0.429 32.075 32.500 0.006 0.000 0.717 68 K HN 0.446 nan 8.250 nan 0.000 0.442 69 E N 0.454 120.656 120.200 0.003 0.000 2.160 69 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 69 E C 1.436 178.038 176.600 0.002 0.000 0.991 69 E CA 0.780 57.181 56.400 0.001 0.000 0.810 69 E CB -0.021 29.678 29.700 -0.000 0.000 0.742 69 E HN 0.198 nan 8.360 nan 0.000 0.466 70 L N -0.741 120.484 121.223 0.002 0.000 2.628 70 L HA 0.221 4.561 4.340 -0.000 0.000 0.229 70 L C 1.141 178.011 176.870 0.000 0.000 1.137 70 L CA 0.167 55.008 54.840 0.002 0.000 0.909 70 L CB 0.439 42.499 42.059 0.003 0.000 1.137 70 L HN 0.238 nan 8.230 nan 0.000 0.470 71 G N -0.056 108.745 108.800 0.000 0.000 2.143 71 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.249 71 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.249 71 G C 0.458 175.356 174.900 -0.002 0.000 0.981 71 G CA -0.062 45.038 45.100 -0.001 0.000 0.665 71 G HN 0.515 nan 8.290 nan 0.000 0.528 72 G N -0.935 107.864 108.800 -0.002 0.000 2.557 72 G HA2 0.624 4.584 3.960 -0.000 0.000 0.302 72 G HA3 0.624 4.584 3.960 -0.000 0.000 0.302 72 G C -0.576 174.322 174.900 -0.002 0.000 1.311 72 G CA 0.011 45.108 45.100 -0.005 0.000 1.030 72 G HN 0.397 nan 8.290 nan 0.000 0.509 73 E N 0.221 120.419 120.200 -0.003 0.000 2.155 73 E HA 0.495 4.845 4.350 -0.000 0.000 0.264 73 E C -2.459 174.143 176.600 0.003 0.000 0.886 73 E CA -2.349 54.052 56.400 0.001 0.000 0.752 73 E CB 1.556 31.256 29.700 -0.000 0.000 1.133 73 E HN 0.068 nan 8.360 nan 0.000 0.414 74 P HA 0.073 nan 4.420 nan 0.000 0.271 74 P C -0.366 176.946 177.300 0.020 0.000 1.220 74 P CA -0.219 62.893 63.100 0.020 0.000 0.768 74 P CB 0.831 32.551 31.700 0.034 0.000 0.848 75 T N 1.438 116.002 114.554 0.017 0.000 2.903 75 T HA 0.137 4.487 4.350 -0.000 0.000 0.314 75 T C 1.192 175.912 174.700 0.035 0.000 1.078 75 T CA 0.628 62.739 62.100 0.018 0.000 1.114 75 T CB -0.023 68.852 68.868 0.012 0.000 0.987 75 T HN 0.569 nan 8.240 nan 0.000 0.548 76 T N 1.366 115.938 114.554 0.031 0.000 3.085 76 T HA 0.349 4.699 4.350 -0.000 0.000 0.264 76 T C 0.343 175.065 174.700 0.037 0.000 1.019 76 T CA -0.330 61.794 62.100 0.040 0.000 0.910 76 T CB 0.136 69.023 68.868 0.032 0.000 1.059 76 T HN 0.567 nan 8.240 nan 0.000 0.542 77 Q N 2.264 122.083 119.800 0.030 0.000 2.307 77 Q HA 0.410 4.750 4.340 -0.000 0.000 0.262 77 Q C -0.400 175.620 176.000 0.034 0.000 0.961 77 Q CA -0.867 54.948 55.803 0.020 0.000 0.882 77 Q CB 1.742 30.486 28.738 0.010 0.000 1.264 77 Q HN 0.511 nan 8.270 nan 0.000 0.446 78 K N 1.001 121.416 120.400 0.024 0.000 2.202 78 K HA 0.247 4.567 4.320 -0.000 0.000 0.264 78 K C -0.367 176.272 176.600 0.066 0.000 1.010 78 K CA -0.609 55.718 56.287 0.066 0.000 0.940 78 K CB 0.870 33.392 32.500 0.037 0.000 0.983 78 K HN 0.313 nan 8.250 nan 0.000 0.475 79 E N 0.909 121.163 120.200 0.091 0.000 2.046 79 E HA 0.369 4.719 4.350 -0.000 0.000 0.279 79 E C -0.156 176.412 176.600 -0.054 0.000 0.989 79 E CA 0.352 56.767 56.400 0.026 0.000 0.798 79 E CB 0.351 30.066 29.700 0.026 0.000 1.086 79 E HN 0.862 nan 8.360 nan 0.000 0.399 80 G N 3.461 112.241 108.800 -0.034 0.000 2.592 80 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.684 80 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.684 80 G C -1.195 173.744 174.900 0.065 0.000 1.291 80 G CA -0.658 44.395 45.100 -0.079 0.000 0.891 80 G HN 0.528 nan 8.290 nan 0.000 0.544 81 K N -0.608 119.830 120.400 0.064 0.000 2.156 81 K HA 0.642 4.962 4.320 -0.000 0.000 0.271 81 K C 0.027 176.759 176.600 0.220 0.000 0.995 81 K CA -0.782 55.571 56.287 0.110 0.000 0.890 81 K CB 2.337 34.868 32.500 0.053 0.000 1.073 81 K HN 0.458 nan 8.250 nan 0.000 0.454 82 V N 3.327 123.313 119.914 0.120 0.000 2.432 82 V HA 0.118 4.238 4.120 -0.000 0.000 0.275 82 V C -0.183 175.939 176.094 0.046 0.000 1.043 82 V CA -0.897 61.431 62.300 0.046 0.000 0.925 82 V CB 1.341 33.118 31.823 -0.076 0.000 0.985 82 V HN 0.484 nan 8.190 nan 0.000 0.466 83 V N 5.552 125.497 119.914 0.051 0.000 2.408 83 V HA 0.339 4.459 4.120 -0.000 0.000 0.267 83 V C 0.721 176.832 176.094 0.027 0.000 1.047 83 V CA -0.142 62.181 62.300 0.038 0.000 0.937 83 V CB 1.123 32.968 31.823 0.038 0.000 0.999 83 V HN 1.065 nan 8.190 nan 0.000 0.472 84 T N 1.088 115.660 114.554 0.030 0.000 2.948 84 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 84 T C 0.999 175.719 174.700 0.033 0.000 1.019 84 T CA 0.081 62.203 62.100 0.037 0.000 1.013 84 T CB 1.645 70.538 68.868 0.042 0.000 1.117 84 T HN 1.638 nan 8.240 nan 0.000 0.533 85 G N 0.748 109.572 108.800 0.039 0.000 2.168 85 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.257 85 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.257 85 G C -0.066 174.853 174.900 0.032 0.000 0.997 85 G CA 0.413 45.534 45.100 0.035 0.000 0.708 85 G HN 0.993 nan 8.290 nan 0.000 0.520 86 Q N 0.070 119.886 119.800 0.027 0.000 2.352 86 Q HA 0.578 4.918 4.340 -0.000 0.000 0.260 86 Q C 0.847 176.866 176.000 0.032 0.000 0.976 86 Q CA 0.235 56.050 55.803 0.021 0.000 0.881 86 Q CB 0.995 29.734 28.738 0.001 0.000 1.235 86 Q HN 0.724 nan 8.270 nan 0.000 0.419 87 A N 2.138 124.982 122.820 0.039 0.000 2.313 87 A HA 0.153 4.473 4.320 -0.000 0.000 0.261 87 A C 1.131 178.761 177.584 0.076 0.000 1.090 87 A CA -0.580 51.493 52.037 0.061 0.000 0.807 87 A CB 0.427 19.462 19.000 0.058 0.000 1.055 87 A HN 0.698 nan 8.150 nan 0.000 0.492 88 V N 1.494 121.481 119.914 0.123 0.000 2.287 88 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 88 V C -0.510 175.705 176.094 0.202 0.000 1.053 88 V CA 2.711 65.124 62.300 0.188 0.000 1.027 88 V CB -1.641 30.308 31.823 0.211 0.000 0.646 88 V HN 0.806 nan 8.190 nan 0.000 0.447 89 P HA -0.087 nan 4.420 nan 0.000 0.218 89 P C 1.761 179.115 177.300 0.091 0.000 1.148 89 P CA 1.149 64.316 63.100 0.111 0.000 0.822 89 P CB -0.045 31.693 31.700 0.062 0.000 0.784 90 V N -0.958 118.990 119.914 0.057 0.000 2.591 90 V HA -0.142 3.978 4.120 -0.000 0.000 0.249 90 V C 2.275 178.349 176.094 -0.032 0.000 1.053 90 V CA 1.050 63.361 62.300 0.017 0.000 1.068 90 V CB -0.922 30.909 31.823 0.014 0.000 0.689 90 V HN 0.047 nan 8.190 nan 0.000 0.462 91 I N -0.572 119.950 120.570 -0.080 0.000 2.118 91 I HA -0.325 3.845 4.170 -0.000 0.000 0.241 91 I C 2.393 178.255 176.117 -0.426 0.000 1.070 91 I CA 2.245 63.372 61.300 -0.289 0.000 1.327 91 I CB -0.363 37.369 38.000 -0.447 0.000 1.034 91 I HN 0.281 nan 8.210 nan 0.000 0.405 92 Y N 0.119 120.371 120.300 -0.081 0.000 2.337 92 Y HA -0.181 4.368 4.550 -0.000 0.000 0.293 92 Y C 2.606 178.446 175.900 -0.100 0.000 1.123 92 Y CA 1.246 59.278 58.100 -0.112 0.000 1.201 92 Y CB -0.288 38.136 38.460 -0.059 0.000 1.011 92 Y HN 0.223 nan 8.280 nan 0.000 0.545 93 E N 0.337 120.565 120.200 0.047 0.000 2.072 93 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 93 E C 2.329 178.918 176.600 -0.018 0.000 0.985 93 E CA 1.562 57.972 56.400 0.017 0.000 0.801 93 E CB -0.125 29.584 29.700 0.015 0.000 0.750 93 E HN 0.414 nan 8.360 nan 0.000 0.452 94 S N 0.502 116.172 115.700 -0.050 0.000 2.371 94 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 94 S C 1.563 176.124 174.600 -0.064 0.000 1.029 94 S CA 1.359 59.533 58.200 -0.043 0.000 0.978 94 S CB -0.301 62.879 63.200 -0.034 0.000 0.833 94 S HN 0.229 nan 8.310 nan 0.000 0.466 95 D N 2.273 122.553 120.400 -0.200 0.000 2.144 95 D HA 0.077 4.717 4.640 -0.000 0.000 0.199 95 D C 2.256 178.485 176.300 -0.118 0.000 0.984 95 D CA 1.383 55.193 54.000 -0.316 0.000 0.834 95 D CB -0.694 39.367 40.800 -1.232 0.000 0.955 95 D HN 0.580 nan 8.370 nan 0.000 0.465 96 A N 1.048 123.849 122.820 -0.033 0.000 1.873 96 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 96 A C 1.834 179.472 177.584 0.090 0.000 1.186 96 A CA 1.540 53.654 52.037 0.129 0.000 0.616 96 A CB -0.366 18.704 19.000 0.117 0.000 0.823 96 A HN 0.005 nan 8.150 nan 0.000 0.442 97 D N -0.804 119.622 120.400 0.043 0.000 2.117 97 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 97 D C 2.053 178.375 176.300 0.036 0.000 0.987 97 D CA 1.569 55.587 54.000 0.030 0.000 0.829 97 D CB -0.378 40.428 40.800 0.011 0.000 0.961 97 D HN 0.706 nan 8.370 nan 0.000 0.460 98 Q N 0.351 120.184 119.800 0.054 0.000 2.084 98 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 98 Q C 1.742 177.800 176.000 0.097 0.000 0.978 98 Q CA 1.118 56.963 55.803 0.070 0.000 0.844 98 Q CB 0.225 29.030 28.738 0.112 0.000 0.898 98 Q HN 0.133 nan 8.270 nan 0.000 0.426 99 E N 0.655 120.958 120.200 0.172 0.000 2.072 99 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 99 E C 1.564 178.211 176.600 0.079 0.000 0.985 99 E CA 1.452 57.967 56.400 0.192 0.000 0.801 99 E CB -0.223 29.668 29.700 0.319 0.000 0.750 99 E HN 0.515 nan 8.360 nan 0.000 0.452 100 D N 0.391 120.830 120.400 0.066 0.000 2.144 100 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 100 D C 1.859 178.142 176.300 -0.028 0.000 0.984 100 D CA 1.418 55.429 54.000 0.018 0.000 0.834 100 D CB 0.090 40.904 40.800 0.022 0.000 0.955 100 D HN 0.127 nan 8.370 nan 0.000 0.465 101 A N -0.601 122.199 122.820 -0.034 0.000 1.898 101 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 101 A C 2.340 179.839 177.584 -0.142 0.000 1.181 101 A CA 1.872 53.864 52.037 -0.074 0.000 0.620 101 A CB -0.991 17.974 19.000 -0.058 0.000 0.819 101 A HN 0.273 nan 8.150 nan 0.000 0.442 102 T N 0.545 114.997 114.554 -0.169 0.000 2.635 102 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 102 T C 1.781 176.199 174.700 -0.470 0.000 1.040 102 T CA 1.779 63.645 62.100 -0.390 0.000 1.156 102 T CB -0.457 68.202 68.868 -0.348 0.000 0.863 102 T HN 0.424 nan 8.240 nan 0.000 0.430 103 I N 0.763 121.189 120.570 -0.240 0.000 2.208 103 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 103 I C 2.725 178.772 176.117 -0.117 0.000 1.097 103 I CA 1.099 62.319 61.300 -0.133 0.000 1.363 103 I CB -0.280 37.694 38.000 -0.044 0.000 1.051 103 I HN 0.134 nan 8.210 nan 0.000 0.413 104 E N 0.834 120.957 120.200 -0.129 0.000 2.077 104 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 104 E C 2.329 178.801 176.600 -0.214 0.000 0.989 104 E CA 1.523 57.845 56.400 -0.130 0.000 0.800 104 E CB -0.424 29.213 29.700 -0.106 0.000 0.746 104 E HN 0.502 nan 8.360 nan 0.000 0.452 105 A N 0.675 123.318 122.820 -0.295 0.000 1.877 105 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 105 A C 2.031 179.167 177.584 -0.747 0.000 1.186 105 A CA 1.230 52.945 52.037 -0.536 0.000 0.620 105 A CB -0.817 17.902 19.000 -0.469 0.000 0.822 105 A HN 0.209 nan 8.150 nan 0.000 0.443 106 Y N 1.002 120.973 120.300 -0.547 0.000 2.352 106 Y HA -0.076 4.474 4.550 -0.000 0.000 0.292 106 Y C 2.889 178.563 175.900 -0.377 0.000 1.136 106 Y CA 0.547 58.397 58.100 -0.417 0.000 1.227 106 Y CB -1.047 37.461 38.460 0.079 0.000 0.991 106 Y HN 0.293 nan 8.280 nan 0.000 0.545 107 S N -0.259 115.375 115.700 -0.109 0.000 2.402 107 S HA -0.191 4.278 4.470 -0.000 0.000 0.229 107 S C 1.892 176.405 174.600 -0.145 0.000 1.021 107 S CA 1.104 59.251 58.200 -0.089 0.000 0.974 107 S CB -0.213 62.952 63.200 -0.058 0.000 0.800 107 S HN 0.555 nan 8.310 nan 0.000 0.484 108 Q N 0.312 119.975 119.800 -0.229 0.000 2.079 108 Q HA 0.035 4.375 4.340 -0.000 0.000 0.200 108 Q C 1.758 177.696 176.000 -0.104 0.000 0.974 108 Q CA 1.276 56.977 55.803 -0.170 0.000 0.840 108 Q CB -0.367 28.259 28.738 -0.188 0.000 0.898 108 Q HN 0.578 nan 8.270 nan 0.000 0.430 109 F N 0.602 120.362 119.950 -0.316 0.000 2.126 109 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 109 F C 2.238 177.692 175.800 -0.577 0.000 1.096 109 F CA 0.281 57.953 58.000 -0.547 0.000 1.255 109 F CB -0.171 38.218 39.000 -1.019 0.000 0.997 109 F HN 0.103 nan 8.300 nan 0.000 0.479 110 L N 0.793 121.791 121.223 -0.375 0.000 2.042 110 L HA -0.290 4.050 4.340 -0.000 0.000 0.210 110 L C 2.612 179.459 176.870 -0.039 0.000 1.076 110 L CA 1.582 56.338 54.840 -0.140 0.000 0.749 110 L CB -0.389 41.647 42.059 -0.039 0.000 0.893 110 L HN 0.105 nan 8.230 nan 0.000 0.432 111 K N -0.732 119.640 120.400 -0.047 0.000 2.026 111 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 111 K C 1.889 178.486 176.600 -0.004 0.000 1.048 111 K CA 1.872 58.150 56.287 -0.016 0.000 0.929 111 K CB -0.075 32.412 32.500 -0.022 0.000 0.713 111 K HN 0.201 nan 8.250 nan 0.000 0.439 112 V N 1.164 121.075 119.914 -0.005 0.000 2.287 112 V HA -0.370 3.750 4.120 -0.000 0.000 0.248 112 V C 2.569 178.670 176.094 0.012 0.000 1.053 112 V CA 1.956 64.258 62.300 0.003 0.000 1.027 112 V CB -0.601 31.223 31.823 0.000 0.000 0.646 112 V HN 0.540 nan 8.190 nan 0.000 0.447 113 C N -0.057 119.258 119.300 0.025 0.000 2.413 113 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 113 C C 2.737 177.754 174.990 0.046 0.000 1.248 113 C CA 1.110 60.164 59.018 0.060 0.000 1.742 113 C CB -1.102 26.715 27.740 0.129 0.000 2.017 113 C HN 0.559 nan 8.230 nan 0.000 0.481 114 K N 0.684 121.106 120.400 0.037 0.000 2.097 114 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 114 K C 1.777 178.390 176.600 0.021 0.000 1.050 114 K CA 1.321 57.626 56.287 0.030 0.000 0.938 114 K CB -0.295 32.221 32.500 0.025 0.000 0.718 114 K HN 0.607 nan 8.250 nan 0.000 0.442 115 E N 0.746 120.955 120.200 0.016 0.000 2.204 115 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 115 E C 1.514 178.121 176.600 0.011 0.000 0.989 115 E CA 0.684 57.091 56.400 0.011 0.000 0.824 115 E CB 0.212 29.916 29.700 0.007 0.000 0.756 115 E HN 0.197 nan 8.360 nan 0.000 0.477 116 Q N -0.510 119.299 119.800 0.015 0.000 2.280 116 Q HA 0.111 4.451 4.340 -0.000 0.000 0.202 116 Q C 0.766 176.776 176.000 0.017 0.000 0.903 116 Q CA 0.556 56.367 55.803 0.013 0.000 0.948 116 Q CB 0.987 29.733 28.738 0.013 0.000 1.058 116 Q HN 0.364 nan 8.270 nan 0.000 0.493 117 G N 2.174 110.986 108.800 0.019 0.000 2.249 117 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.273 117 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.273 117 G C -0.329 174.586 174.900 0.025 0.000 1.036 117 G CA 0.480 45.592 45.100 0.020 0.000 0.824 117 G HN 0.324 nan 8.290 nan 0.000 0.504 118 D N 0.311 120.732 120.400 0.034 0.000 2.485 118 D HA 0.402 5.041 4.640 -0.000 0.000 0.229 118 D C 1.635 177.966 176.300 0.051 0.000 1.101 118 D CA -0.843 53.181 54.000 0.041 0.000 0.906 118 D CB 0.130 40.959 40.800 0.049 0.000 1.019 118 D HN -0.005 nan 8.370 nan 0.000 0.516 119 I N 2.881 123.474 120.570 0.039 0.000 2.286 119 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 119 I C 2.418 178.561 176.117 0.043 0.000 1.104 119 I CA 0.542 61.866 61.300 0.041 0.000 1.397 119 I CB -0.783 37.234 38.000 0.029 0.000 1.072 119 I HN 0.250 nan 8.210 nan 0.000 0.417 120 V N 0.910 120.844 119.914 0.033 0.000 2.343 120 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 120 V C 2.531 178.645 176.094 0.033 0.000 1.051 120 V CA 2.277 64.591 62.300 0.024 0.000 1.036 120 V CB -1.142 30.688 31.823 0.013 0.000 0.654 120 V HN 0.417 nan 8.190 nan 0.000 0.451 121 T N 0.243 114.829 114.554 0.054 0.000 2.821 121 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 121 T C 2.052 176.852 174.700 0.167 0.000 1.046 121 T CA 1.361 63.511 62.100 0.083 0.000 1.139 121 T CB -0.354 68.582 68.868 0.114 0.000 0.871 121 T HN 0.562 nan 8.240 nan 0.000 0.454 122 A N 1.978 124.896 122.820 0.163 0.000 1.933 122 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 122 A C 2.400 180.083 177.584 0.164 0.000 1.175 122 A CA 1.035 53.191 52.037 0.198 0.000 0.628 122 A CB -0.324 18.749 19.000 0.122 0.000 0.814 122 A HN 0.214 nan 8.150 nan 0.000 0.444 123 R N -1.035 119.519 120.500 0.091 0.000 2.115 123 R HA -0.052 4.288 4.340 -0.000 0.000 0.226 123 R C 2.019 178.340 176.300 0.035 0.000 1.100 123 R CA 1.115 57.250 56.100 0.059 0.000 0.980 123 R CB -1.012 29.306 30.300 0.030 0.000 0.875 123 R HN 0.534 nan 8.270 nan 0.000 0.445 124 L N 0.331 121.553 121.223 -0.001 0.000 1.989 124 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 124 L C 2.005 178.808 176.870 -0.113 0.000 1.071 124 L CA 1.703 56.478 54.840 -0.108 0.000 0.749 124 L CB -0.779 41.165 42.059 -0.192 0.000 0.890 124 L HN -0.017 nan 8.230 nan 0.000 0.431 125 F N 0.253 120.240 119.950 0.062 0.000 2.126 125 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 125 F C 2.458 178.299 175.800 0.069 0.000 1.096 125 F CA 1.779 59.830 58.000 0.085 0.000 1.255 125 F CB -0.297 38.758 39.000 0.093 0.000 0.997 125 F HN 0.218 nan 8.300 nan 0.000 0.479 126 E N 0.202 120.540 120.200 0.230 0.000 2.058 126 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 126 E C 2.238 178.886 176.600 0.080 0.000 0.997 126 E CA 1.520 58.003 56.400 0.138 0.000 0.801 126 E CB -0.277 29.480 29.700 0.095 0.000 0.746 126 E HN 0.520 nan 8.360 nan 0.000 0.450 127 R N 0.632 121.152 120.500 0.032 0.000 2.075 127 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 127 R C 2.403 178.685 176.300 -0.029 0.000 1.126 127 R CA 1.127 57.224 56.100 -0.005 0.000 0.963 127 R CB -0.625 29.656 30.300 -0.032 0.000 0.858 127 R HN 0.184 nan 8.270 nan 0.000 0.435 128 I N 1.319 121.843 120.570 -0.076 0.000 2.394 128 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 128 I C 2.367 178.484 176.117 0.000 0.000 1.136 128 I CA 1.166 62.352 61.300 -0.189 0.000 1.425 128 I CB -0.204 37.565 38.000 -0.385 0.000 1.079 128 I HN 0.065 nan 8.210 nan 0.000 0.425 129 I N 0.591 121.252 120.570 0.151 0.000 2.286 129 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 129 I C 2.405 178.558 176.117 0.060 0.000 1.115 129 I CA 1.439 62.837 61.300 0.164 0.000 1.392 129 I CB -0.290 37.822 38.000 0.187 0.000 1.065 129 I HN 0.239 nan 8.210 nan 0.000 0.418 130 E N 0.438 120.658 120.200 0.034 0.000 2.150 130 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 130 E C 1.970 178.550 176.600 -0.033 0.000 0.985 130 E CA 1.027 57.430 56.400 0.006 0.000 0.814 130 E CB -0.078 29.626 29.700 0.008 0.000 0.752 130 E HN 0.597 nan 8.360 nan 0.000 0.466 131 E N 0.759 120.927 120.200 -0.053 0.000 2.107 131 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 131 E C 1.950 178.334 176.600 -0.359 0.000 0.982 131 E CA 0.577 56.890 56.400 -0.145 0.000 0.809 131 E CB 0.061 29.759 29.700 -0.003 0.000 0.756 131 E HN 0.181 nan 8.360 nan 0.000 0.459 132 E N 0.988 121.089 120.200 -0.165 0.000 2.118 132 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 132 E C 2.037 178.624 176.600 -0.021 0.000 0.992 132 E CA 1.058 57.414 56.400 -0.073 0.000 0.804 132 E CB -0.216 29.523 29.700 0.064 0.000 0.741 132 E HN 0.186 nan 8.360 nan 0.000 0.458 133 Q N 0.946 120.734 119.800 -0.020 0.000 2.124 133 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 133 Q C 1.962 177.969 176.000 0.012 0.000 0.977 133 Q CA 1.930 57.741 55.803 0.012 0.000 0.850 133 Q CB -0.396 28.348 28.738 0.010 0.000 0.901 133 Q HN 0.229 nan 8.270 nan 0.000 0.429 134 A N -0.725 122.070 122.820 -0.041 0.000 1.969 134 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 134 A C 1.747 179.373 177.584 0.071 0.000 1.169 134 A CA 1.538 53.573 52.037 -0.003 0.000 0.635 134 A CB -0.885 18.097 19.000 -0.030 0.000 0.810 134 A HN 0.687 nan 8.150 nan 0.000 0.445 135 H N -1.375 117.693 119.070 -0.004 0.000 2.321 135 H HA -0.122 4.433 4.556 -0.000 0.000 0.300 135 H C 2.092 177.398 175.328 -0.037 0.000 1.087 135 H CA 1.131 57.122 56.048 -0.094 0.000 1.319 135 H CB -0.080 29.695 29.762 0.021 0.000 1.379 135 H HN 0.427 nan 8.280 nan 0.000 0.501 136 L N 0.766 122.119 121.223 0.216 0.000 2.012 136 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 136 L C 2.189 179.148 176.870 0.148 0.000 1.073 136 L CA 1.893 56.861 54.840 0.214 0.000 0.748 136 L CB -0.903 41.243 42.059 0.145 0.000 0.891 136 L HN 0.130 nan 8.230 nan 0.000 0.431 137 T N -1.300 113.311 114.554 0.095 0.000 2.720 137 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 137 T C 1.646 176.376 174.700 0.050 0.000 1.037 137 T CA 1.901 64.036 62.100 0.059 0.000 1.144 137 T CB -0.591 68.306 68.868 0.049 0.000 0.864 137 T HN 0.546 nan 8.240 nan 0.000 0.444 138 Y N 0.723 120.985 120.300 -0.064 0.000 2.097 138 Y HA -0.235 4.315 4.550 -0.000 0.000 0.282 138 Y C 2.069 177.942 175.900 -0.044 0.000 1.152 138 Y CA 1.197 59.231 58.100 -0.110 0.000 1.136 138 Y CB -0.716 37.603 38.460 -0.235 0.000 0.975 138 Y HN 0.353 nan 8.280 nan 0.000 0.498 139 Y N 0.266 120.579 120.300 0.021 0.000 2.224 139 Y HA -0.217 4.332 4.550 -0.000 0.000 0.289 139 Y C 2.522 178.371 175.900 -0.085 0.000 1.146 139 Y CA 1.179 59.273 58.100 -0.008 0.000 1.182 139 Y CB -0.171 38.365 38.460 0.128 0.000 0.983 139 Y HN 0.232 nan 8.280 nan 0.000 0.524 140 E N 0.040 120.283 120.200 0.072 0.000 2.072 140 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 140 E C 1.779 178.273 176.600 -0.176 0.000 0.985 140 E CA 1.001 57.385 56.400 -0.028 0.000 0.801 140 E CB -0.082 29.608 29.700 -0.015 0.000 0.750 140 E HN 0.462 nan 8.360 nan 0.000 0.452 141 N N 0.697 119.253 118.700 -0.240 0.000 2.106 141 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 141 N C 1.801 176.947 175.510 -0.607 0.000 1.029 141 N CA 0.853 53.656 53.050 -0.412 0.000 0.848 141 N CB -0.153 38.174 38.487 -0.268 0.000 1.007 141 N HN 0.116 nan 8.380 nan 0.000 0.423 142 I N 0.888 121.129 120.570 -0.549 0.000 2.226 142 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 142 I C 2.421 178.193 176.117 -0.575 0.000 1.100 142 I CA 1.039 61.961 61.300 -0.631 0.000 1.374 142 I CB -1.867 35.576 38.000 -0.929 0.000 1.057 142 I HN 0.092 nan 8.210 nan 0.000 0.413 143 G N 0.032 108.611 108.800 -0.368 0.000 2.476 143 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.218 143 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.218 143 G C 1.892 176.653 174.900 -0.232 0.000 1.164 143 G CA 1.310 46.302 45.100 -0.180 0.000 0.768 143 G HN 0.434 nan 8.290 nan 0.000 0.560 144 S N -0.055 115.455 115.700 -0.317 0.000 2.368 144 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 144 S C 2.101 176.486 174.600 -0.358 0.000 1.030 144 S CA 1.710 59.717 58.200 -0.322 0.000 0.999 144 S CB -0.430 62.549 63.200 -0.368 0.000 0.844 144 S HN 0.682 nan 8.310 nan 0.000 0.459 145 H N 0.090 118.914 119.070 -0.411 0.000 2.389 145 H HA 0.095 4.651 4.556 -0.000 0.000 0.299 145 H C 2.058 177.102 175.328 -0.474 0.000 1.081 145 H CA 1.582 57.284 56.048 -0.577 0.000 1.345 145 H CB -0.058 28.995 29.762 -1.183 0.000 1.393 145 H HN 0.360 nan 8.280 nan 0.000 0.520 146 I N 0.672 121.059 120.570 -0.304 0.000 2.252 146 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 146 I C 2.197 178.269 176.117 -0.075 0.000 1.102 146 I CA 1.197 62.412 61.300 -0.141 0.000 1.385 146 I CB -0.098 37.832 38.000 -0.117 0.000 1.064 146 I HN 0.161 nan 8.210 nan 0.000 0.414 147 K N 0.712 121.059 120.400 -0.087 0.000 2.097 147 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 147 K C 1.613 178.187 176.600 -0.043 0.000 1.050 147 K CA 1.729 57.985 56.287 -0.053 0.000 0.938 147 K CB -0.088 32.376 32.500 -0.061 0.000 0.718 147 K HN 0.426 nan 8.250 nan 0.000 0.442 148 N N -0.632 118.035 118.700 -0.056 0.000 2.415 148 N HA 0.056 4.796 4.740 -0.000 0.000 0.174 148 N C 1.166 176.668 175.510 -0.013 0.000 1.048 148 N CA 0.380 53.411 53.050 -0.032 0.000 0.895 148 N CB 0.431 38.899 38.487 -0.032 0.000 1.036 148 N HN 0.002 nan 8.380 nan 0.000 0.449 149 L N -0.886 120.330 121.223 -0.013 0.000 2.717 149 L HA 0.420 4.760 4.340 -0.000 0.000 0.239 149 L C 1.450 178.344 176.870 0.040 0.000 1.086 149 L CA -0.018 54.833 54.840 0.018 0.000 0.897 149 L CB -0.202 41.877 42.059 0.032 0.000 1.214 149 L HN 0.082 nan 8.230 nan 0.000 0.508 150 G N 1.436 110.257 108.800 0.034 0.000 2.651 150 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.315 150 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.315 150 G C 0.472 175.415 174.900 0.072 0.000 1.258 150 G CA 0.786 45.914 45.100 0.046 0.000 1.002 150 G HN 0.263 nan 8.290 nan 0.000 0.551 151 D N 0.327 120.758 120.400 0.052 0.000 2.263 151 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 151 D C 2.702 179.024 176.300 0.037 0.000 0.971 151 D CA 1.780 55.808 54.000 0.047 0.000 0.867 151 D CB -0.616 40.213 40.800 0.047 0.000 0.929 151 D HN 0.463 nan 8.370 nan 0.000 0.492 152 T N -0.381 114.199 114.554 0.045 0.000 2.788 152 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 152 T C 1.789 176.509 174.700 0.033 0.000 1.044 152 T CA 0.900 63.020 62.100 0.034 0.000 1.139 152 T CB -0.386 68.504 68.868 0.035 0.000 0.867 152 T HN 0.277 nan 8.240 nan 0.000 0.454 153 Y N 1.654 121.913 120.300 -0.068 0.000 2.243 153 Y HA 0.145 4.695 4.550 -0.000 0.000 0.293 153 Y C 1.919 177.747 175.900 -0.119 0.000 1.124 153 Y CA 0.777 58.814 58.100 -0.104 0.000 1.159 153 Y CB -0.461 37.929 38.460 -0.116 0.000 1.008 153 Y HN 0.067 nan 8.280 nan 0.000 0.527 154 L N 0.161 121.270 121.223 -0.189 0.000 2.191 154 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 154 L C 2.734 179.492 176.870 -0.187 0.000 1.103 154 L CA 0.957 55.585 54.840 -0.354 0.000 0.769 154 L CB -0.870 41.012 42.059 -0.295 0.000 0.908 154 L HN 0.376 nan 8.230 nan 0.000 0.438 155 A N 0.196 122.964 122.820 -0.088 0.000 1.972 155 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 155 A C 2.399 179.945 177.584 -0.064 0.000 1.169 155 A CA 1.904 53.926 52.037 -0.024 0.000 0.635 155 A CB -0.386 18.607 19.000 -0.013 0.000 0.810 155 A HN 0.355 nan 8.150 nan 0.000 0.446 156 K N -0.495 119.809 120.400 -0.161 0.000 2.097 156 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 156 K C 1.413 177.915 176.600 -0.164 0.000 1.050 156 K CA 1.375 57.556 56.287 -0.176 0.000 0.938 156 K CB -0.126 32.218 32.500 -0.261 0.000 0.718 156 K HN 0.387 nan 8.250 nan 0.000 0.442 157 I N 1.413 121.850 120.570 -0.222 0.000 2.876 157 I HA 0.042 4.211 4.170 -0.000 0.000 0.264 157 I C 0.865 177.049 176.117 0.111 0.000 1.204 157 I CA 0.147 61.384 61.300 -0.105 0.000 1.485 157 I CB -1.462 36.399 38.000 -0.232 0.000 1.103 157 I HN 0.025 nan 8.210 nan 0.000 0.446 158 A N 1.113 124.033 122.820 0.167 0.000 2.548 158 A HA 0.386 4.706 4.320 -0.000 0.000 0.247 158 A C 1.597 179.218 177.584 0.063 0.000 1.067 158 A CA 0.786 52.934 52.037 0.184 0.000 0.757 158 A CB -0.618 18.469 19.000 0.144 0.000 0.996 158 A HN 0.785 nan 8.150 nan 0.000 0.504 159 G N 2.419 111.236 108.800 0.029 0.000 2.168 159 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.263 159 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.263 159 G C 0.550 175.460 174.900 0.018 0.000 0.977 159 G CA 1.194 46.298 45.100 0.007 0.000 0.659 159 G HN 1.966 nan 8.290 nan 0.000 0.533 160 T N -0.848 113.726 114.554 0.034 0.000 2.766 160 T HA 0.543 4.893 4.350 -0.000 0.000 0.295 160 T C -1.880 172.838 174.700 0.030 0.000 1.024 160 T CA -0.999 61.117 62.100 0.026 0.000 1.018 160 T CB 1.225 70.108 68.868 0.024 0.000 1.002 160 T HN 0.099 nan 8.240 nan 0.000 0.532 161 P HA 0.180 nan 4.420 nan 0.000 0.268 161 P C 0.379 177.705 177.300 0.043 0.000 1.205 161 P CA -0.355 62.762 63.100 0.028 0.000 0.771 161 P CB 0.509 32.221 31.700 0.022 0.000 0.858 162 S N -0.608 115.122 115.700 0.049 0.000 2.578 162 S HA 0.119 4.589 4.470 -0.000 0.000 0.231 162 S C 0.767 175.411 174.600 0.074 0.000 0.994 162 S CA -0.346 57.898 58.200 0.074 0.000 0.956 162 S CB -0.302 62.949 63.200 0.084 0.000 0.870 162 S HN 0.398 nan 8.310 nan 0.000 0.494 163 S N 2.703 118.432 115.700 0.048 0.000 2.549 163 S HA 0.212 4.682 4.470 -0.000 0.000 0.286 163 S C 1.098 175.713 174.600 0.025 0.000 1.314 163 S CA 0.477 58.699 58.200 0.036 0.000 1.062 163 S CB 0.438 63.652 63.200 0.023 0.000 0.865 163 S HN 0.608 nan 8.310 nan 0.000 0.498 164 T N 1.697 116.258 114.554 0.012 0.000 3.176 164 T HA 0.583 4.932 4.350 -0.000 0.000 0.263 164 T C 0.967 175.658 174.700 -0.014 0.000 1.021 164 T CA 0.236 62.330 62.100 -0.011 0.000 0.905 164 T CB -0.447 68.399 68.868 -0.037 0.000 1.057 164 T HN 1.378 nan 8.240 nan 0.000 0.558 165 G N 1.119 109.917 108.800 -0.003 0.000 2.378 165 G HA2 0.016 3.976 3.960 -0.000 0.000 0.198 165 G HA3 0.016 3.976 3.960 -0.000 0.000 0.198 165 G C -0.232 174.667 174.900 -0.001 0.000 1.223 165 G CA -0.420 44.677 45.100 -0.004 0.000 1.088 165 G HN 0.672 nan 8.290 nan 0.000 0.530 166 T N 0.546 115.098 114.554 -0.003 0.000 2.918 166 T HA 0.607 4.957 4.350 -0.000 0.000 0.302 166 T C 1.092 175.791 174.700 -0.001 0.000 1.045 166 T CA 1.161 63.260 62.100 -0.002 0.000 1.114 166 T CB 0.218 69.084 68.868 -0.004 0.000 0.965 166 T HN 2.170 nan 8.240 nan 0.000 0.540 167 A N 4.665 127.487 122.820 0.003 0.000 2.566 167 A HA 0.337 4.657 4.320 -0.000 0.000 0.245 167 A C 1.008 178.593 177.584 0.002 0.000 1.056 167 A CA 0.033 52.073 52.037 0.005 0.000 0.757 167 A CB -0.397 18.609 19.000 0.010 0.000 0.979 167 A HN 0.903 nan 8.150 nan 0.000 0.508 168 S N 1.924 117.624 115.700 0.000 0.000 2.566 168 S HA 0.152 4.622 4.470 -0.000 0.000 0.280 168 S C 0.804 175.407 174.600 0.005 0.000 1.343 168 S CA -0.251 57.948 58.200 -0.002 0.000 1.036 168 S CB 0.291 63.488 63.200 -0.005 0.000 0.866 168 S HN 0.756 nan 8.310 nan 0.000 0.526 169 K N 1.740 122.142 120.400 0.003 0.000 2.448 169 K HA 0.358 4.678 4.320 -0.000 0.000 0.278 169 K C 0.390 177.003 176.600 0.022 0.000 1.009 169 K CA -0.304 55.987 56.287 0.006 0.000 0.995 169 K CB 0.156 32.657 32.500 0.002 0.000 0.917 169 K HN 0.565 nan 8.250 nan 0.000 0.481 170 G N 1.450 110.268 108.800 0.030 0.000 3.176 170 G HA2 0.373 4.333 3.960 -0.000 0.000 0.272 170 G HA3 0.373 4.333 3.960 -0.000 0.000 0.272 170 G C -0.613 174.346 174.900 0.098 0.000 1.349 170 G CA -0.861 44.280 45.100 0.069 0.000 0.953 170 G HN 0.577 nan 8.290 nan 0.000 0.559 171 F N 0.287 120.237 119.950 0.001 0.000 2.179 171 F HA 0.194 4.721 4.527 -0.000 0.000 0.292 171 F C 1.723 177.524 175.800 0.002 0.000 1.089 171 F CA 1.208 59.209 58.000 0.001 0.000 1.295 171 F CB -0.047 38.954 39.000 0.002 0.000 1.041 171 F HN 0.303 nan 8.300 nan 0.000 0.487 172 V N 0.000 119.994 119.914 0.134 0.000 2.409 172 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 172 V CA 0.000 62.314 62.300 0.023 0.000 1.235 172 V CB 0.000 31.884 31.823 0.102 0.000 1.184 172 V HN 0.000 nan 8.190 nan 0.000 0.556