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_K 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 -0.471 118.228 118.700 -0.002 0.000 2.332 4 N HA 0.232 4.972 4.740 0.000 0.000 0.285 4 N C 1.304 176.814 175.510 -0.001 0.000 1.292 4 N CA -0.393 52.657 53.050 -0.001 0.000 0.947 4 N CB 0.299 38.785 38.487 -0.002 0.000 1.084 4 N HN 0.369 nan 8.380 nan 0.000 0.529 5 R N -0.297 120.203 120.500 -0.001 0.000 2.090 5 R HA -0.007 4.333 4.340 0.000 0.000 0.228 5 R C 1.847 178.145 176.300 -0.002 0.000 1.110 5 R CA 0.976 57.076 56.100 -0.000 0.000 0.973 5 R CB -0.773 29.527 30.300 0.000 0.000 0.869 5 R HN 0.724 nan 8.270 nan 0.000 0.440 6 E N 0.577 120.775 120.200 -0.003 0.000 2.077 6 E HA -0.177 4.173 4.350 0.000 0.000 0.193 6 E C 1.522 178.118 176.600 -0.007 0.000 0.989 6 E CA 1.017 57.414 56.400 -0.005 0.000 0.800 6 E CB 0.054 29.751 29.700 -0.005 0.000 0.746 6 E HN 0.204 nan 8.360 nan 0.000 0.452 7 D N 0.009 120.405 120.400 -0.006 0.000 2.097 7 D HA -0.121 4.519 4.640 0.000 0.000 0.197 7 D C 2.035 178.330 176.300 -0.009 0.000 0.984 7 D CA 0.942 54.937 54.000 -0.008 0.000 0.826 7 D CB 0.153 40.949 40.800 -0.006 0.000 0.973 7 D HN 0.071 nan 8.370 nan 0.000 0.460 8 R N 0.494 120.991 120.500 -0.005 0.000 2.075 8 R HA -0.020 4.320 4.340 0.000 0.000 0.232 8 R C 2.490 178.787 176.300 -0.005 0.000 1.126 8 R CA 0.828 56.926 56.100 -0.004 0.000 0.963 8 R CB 0.056 30.357 30.300 0.001 0.000 0.858 8 R HN 0.089 nan 8.270 nan 0.000 0.435 9 K N 0.322 120.719 120.400 -0.005 0.000 2.032 9 K HA -0.112 4.208 4.320 0.000 0.000 0.209 9 K C 2.143 178.734 176.600 -0.014 0.000 1.048 9 K CA 1.489 57.773 56.287 -0.006 0.000 0.927 9 K CB -0.163 32.334 32.500 -0.005 0.000 0.712 9 K HN 0.164 nan 8.250 nan 0.000 0.441 10 A N 1.737 124.547 122.820 -0.017 0.000 1.969 10 A HA -0.153 4.167 4.320 0.000 0.000 0.218 10 A C 1.830 179.393 177.584 -0.034 0.000 1.169 10 A CA 1.316 53.339 52.037 -0.024 0.000 0.635 10 A CB -0.169 18.819 19.000 -0.021 0.000 0.810 10 A HN 0.157 nan 8.150 nan 0.000 0.445 11 K N -0.338 120.044 120.400 -0.030 0.000 2.155 11 K HA -0.014 4.306 4.320 0.000 0.000 0.203 11 K C 1.855 178.422 176.600 -0.056 0.000 1.052 11 K CA 1.228 57.490 56.287 -0.041 0.000 0.948 11 K CB -0.314 32.170 32.500 -0.028 0.000 0.728 11 K HN 0.374 nan 8.250 nan 0.000 0.448 12 V N 1.738 121.631 119.914 -0.035 0.000 2.488 12 V HA -0.157 3.963 4.120 0.000 0.000 0.246 12 V C 2.234 178.296 176.094 -0.053 0.000 1.046 12 V CA 1.161 63.444 62.300 -0.027 0.000 1.053 12 V CB -0.341 31.489 31.823 0.011 0.000 0.679 12 V HN 0.190 nan 8.190 nan 0.000 0.458 13 I N 0.144 120.684 120.570 -0.050 0.000 2.264 13 I HA -0.265 3.905 4.170 0.000 0.000 0.248 13 I C 2.609 178.664 176.117 -0.103 0.000 1.111 13 I CA 1.781 63.043 61.300 -0.062 0.000 1.382 13 I CB -0.305 37.669 38.000 -0.043 0.000 1.060 13 I HN 0.419 nan 8.210 nan 0.000 0.418 14 E N 0.845 120.978 120.200 -0.111 0.000 2.077 14 E HA -0.206 4.144 4.350 0.000 0.000 0.193 14 E C 2.261 178.703 176.600 -0.263 0.000 0.989 14 E CA 2.116 58.428 56.400 -0.147 0.000 0.800 14 E CB 0.124 29.754 29.700 -0.116 0.000 0.746 14 E HN 0.467 nan 8.360 nan 0.000 0.452 15 V N -1.105 118.599 119.914 -0.350 0.000 2.719 15 V HA -0.099 4.021 4.120 0.000 0.000 0.252 15 V C 2.314 178.050 176.094 -0.596 0.000 1.065 15 V CA 0.839 62.696 62.300 -0.738 0.000 1.086 15 V CB -0.517 30.785 31.823 -0.869 0.000 0.700 15 V HN 0.151 nan 8.190 nan 0.000 0.467 16 L N 0.612 121.660 121.223 -0.292 0.000 2.093 16 L HA -0.066 4.274 4.340 0.000 0.000 0.208 16 L C 2.688 179.343 176.870 -0.359 0.000 1.085 16 L CA 1.743 56.384 54.840 -0.332 0.000 0.755 16 L CB -0.715 41.235 42.059 -0.181 0.000 0.904 16 L HN 0.344 nan 8.230 nan 0.000 0.435 17 N N -0.030 118.530 118.700 -0.233 0.000 2.331 17 N HA -0.114 4.626 4.740 0.000 0.000 0.180 17 N C 1.731 177.155 175.510 -0.143 0.000 1.019 17 N CA 0.923 53.883 53.050 -0.150 0.000 0.881 17 N CB 0.109 38.539 38.487 -0.094 0.000 0.972 17 N HN 0.314 nan 8.380 nan 0.000 0.435 18 K N 0.671 120.942 120.400 -0.215 0.000 2.057 18 K HA 0.028 4.348 4.320 0.000 0.000 0.206 18 K C 2.039 178.649 176.600 0.017 0.000 1.050 18 K CA 1.161 57.379 56.287 -0.115 0.000 0.935 18 K CB -0.077 32.300 32.500 -0.206 0.000 0.715 18 K HN 0.069 nan 8.250 nan 0.000 0.439 19 A N 1.597 124.354 122.820 -0.106 0.000 1.902 19 A HA -0.206 4.114 4.320 0.000 0.000 0.217 19 A C 2.110 179.675 177.584 -0.032 0.000 1.181 19 A CA 1.554 53.580 52.037 -0.018 0.000 0.623 19 A CB -0.495 18.041 19.000 -0.774 0.000 0.818 19 A HN 0.225 nan 8.150 nan 0.000 0.443 20 R N -0.473 119.916 120.500 -0.186 0.000 2.096 20 R HA -0.098 4.242 4.340 0.000 0.000 0.235 20 R C 2.254 178.647 176.300 0.156 0.000 1.127 20 R CA 1.348 57.505 56.100 0.095 0.000 0.968 20 R CB -0.363 29.973 30.300 0.060 0.000 0.861 20 R HN 0.459 nan 8.270 nan 0.000 0.440 21 A N 0.624 123.504 122.820 0.099 0.000 1.930 21 A HA -0.145 4.175 4.320 0.000 0.000 0.217 21 A C 2.135 179.820 177.584 0.168 0.000 1.175 21 A CA 1.371 53.476 52.037 0.113 0.000 0.627 21 A CB -0.336 18.704 19.000 0.066 0.000 0.815 21 A HN 0.335 nan 8.150 nan 0.000 0.443 22 M N -0.743 118.984 119.600 0.211 0.000 2.175 22 M HA -0.109 4.371 4.480 0.000 0.000 0.264 22 M C 1.937 178.413 176.300 0.293 0.000 1.063 22 M CA 1.122 56.568 55.300 0.243 0.000 1.119 22 M CB -0.306 32.473 32.600 0.299 0.000 1.377 22 M HN 0.329 nan 8.290 nan 0.000 0.415 23 E N 0.727 121.137 120.200 0.351 0.000 2.072 23 E HA -0.116 4.234 4.350 0.000 0.000 0.191 23 E C 2.113 178.850 176.600 0.228 0.000 0.985 23 E CA 1.190 57.792 56.400 0.336 0.000 0.801 23 E CB -0.468 29.494 29.700 0.436 0.000 0.750 23 E HN 0.533 nan 8.360 nan 0.000 0.452 24 L N 0.847 122.208 121.223 0.230 0.000 2.127 24 L HA -0.203 4.137 4.340 0.000 0.000 0.211 24 L C 2.780 179.823 176.870 0.289 0.000 1.089 24 L CA 1.180 56.163 54.840 0.238 0.000 0.757 24 L CB -0.586 41.598 42.059 0.208 0.000 0.899 24 L HN 0.275 nan 8.230 nan 0.000 0.434 25 H N 0.399 119.542 119.070 0.121 0.000 2.326 25 H HA -0.144 4.412 4.556 0.000 0.000 0.301 25 H C 2.126 177.441 175.328 -0.021 0.000 1.081 25 H CA 1.639 57.720 56.048 0.055 0.000 1.334 25 H CB 0.296 30.065 29.762 0.012 0.000 1.385 25 H HN 0.305 nan 8.280 nan 0.000 0.504 26 A N 1.386 124.159 122.820 -0.078 0.000 1.908 26 A HA -0.122 4.198 4.320 0.000 0.000 0.218 26 A C 2.783 180.058 177.584 -0.515 0.000 1.181 26 A CA 1.519 53.262 52.037 -0.490 0.000 0.627 26 A CB -0.857 17.941 19.000 -0.336 0.000 0.818 26 A HN 0.466 nan 8.150 nan 0.000 0.445 27 I N -1.101 119.360 120.570 -0.180 0.000 2.118 27 I HA -0.331 3.839 4.170 0.000 0.000 0.241 27 I C 2.422 178.420 176.117 -0.198 0.000 1.070 27 I CA 1.978 63.187 61.300 -0.151 0.000 1.327 27 I CB -0.586 37.335 38.000 -0.131 0.000 1.034 27 I HN 0.418 nan 8.210 nan 0.000 0.405 28 H N -0.651 118.324 119.070 -0.157 0.000 2.389 28 H HA -0.167 4.389 4.556 0.000 0.000 0.299 28 H C 2.117 177.349 175.328 -0.159 0.000 1.081 28 H CA 1.273 57.252 56.048 -0.116 0.000 1.345 28 H CB -0.148 29.555 29.762 -0.098 0.000 1.393 28 H HN 0.282 nan 8.280 nan 0.000 0.520 29 Q N 0.111 119.778 119.800 -0.222 0.000 2.049 29 Q HA -0.104 4.236 4.340 0.000 0.000 0.198 29 Q C 1.674 177.674 176.000 0.000 0.000 0.971 29 Q CA 1.558 57.237 55.803 -0.208 0.000 0.833 29 Q CB -0.340 28.133 28.738 -0.441 0.000 0.896 29 Q HN 0.683 nan 8.270 nan 0.000 0.434 30 Y N -1.270 118.973 120.300 -0.096 0.000 2.242 30 Y HA -0.163 4.387 4.550 0.000 0.000 0.291 30 Y C 2.108 177.943 175.900 -0.109 0.000 1.137 30 Y CA 0.240 58.292 58.100 -0.080 0.000 1.181 30 Y CB 0.010 38.445 38.460 -0.043 0.000 0.989 30 Y HN 0.179 nan 8.280 nan 0.000 0.527 31 M N 0.128 119.723 119.600 -0.009 0.000 2.175 31 M HA -0.197 4.283 4.480 0.000 0.000 0.264 31 M C 1.747 177.867 176.300 -0.299 0.000 1.063 31 M CA 1.281 56.442 55.300 -0.231 0.000 1.119 31 M CB -1.347 31.111 32.600 -0.237 0.000 1.377 31 M HN 0.309 nan 8.290 nan 0.000 0.415 32 N N 0.393 119.095 118.700 0.003 0.000 2.120 32 N HA -0.201 4.539 4.740 0.000 0.000 0.188 32 N C 1.642 177.205 175.510 0.088 0.000 1.024 32 N CA 1.597 54.745 53.050 0.163 0.000 0.852 32 N CB 0.023 38.595 38.487 0.141 0.000 1.003 32 N HN 0.440 nan 8.380 nan 0.000 0.424 33 Q N -1.436 118.386 119.800 0.036 0.000 2.119 33 Q HA -0.206 4.134 4.340 0.000 0.000 0.201 33 Q C 1.825 177.829 176.000 0.007 0.000 0.972 33 Q CA 1.540 57.353 55.803 0.016 0.000 0.847 33 Q CB -0.289 28.433 28.738 -0.028 0.000 0.903 33 Q HN 0.642 nan 8.270 nan 0.000 0.433 34 H N -0.049 118.938 119.070 -0.138 0.000 2.352 34 H HA -0.194 4.362 4.556 0.000 0.000 0.299 34 H C 1.427 176.685 175.328 -0.117 0.000 1.097 34 H CA 1.948 57.894 56.048 -0.170 0.000 1.311 34 H CB -0.311 29.265 29.762 -0.310 0.000 1.377 34 H HN 0.346 nan 8.280 nan 0.000 0.504 35 Y N -0.106 120.145 120.300 -0.081 0.000 2.207 35 Y HA -0.220 4.330 4.550 0.000 0.000 0.287 35 Y C 2.988 178.820 175.900 -0.113 0.000 1.156 35 Y CA 0.847 58.871 58.100 -0.127 0.000 1.182 35 Y CB -0.130 38.334 38.460 0.006 0.000 0.979 35 Y HN 0.236 nan 8.280 nan 0.000 0.521 36 S N 0.406 116.157 115.700 0.085 0.000 2.355 36 S HA -0.150 4.320 4.470 0.000 0.000 0.222 36 S C 1.992 176.611 174.600 0.031 0.000 1.031 36 S CA 1.136 59.370 58.200 0.057 0.000 0.993 36 S CB -0.569 62.672 63.200 0.068 0.000 0.859 36 S HN 0.315 nan 8.310 nan 0.000 0.453 37 L N 1.252 122.491 121.223 0.026 0.000 2.079 37 L HA -0.165 4.175 4.340 0.000 0.000 0.210 37 L C 2.355 179.225 176.870 0.000 0.000 1.081 37 L CA 1.273 56.168 54.840 0.092 0.000 0.752 37 L CB -0.519 41.624 42.059 0.140 0.000 0.896 37 L HN 0.224 nan 8.230 nan 0.000 0.433 38 D N -0.137 120.186 120.400 -0.129 0.000 2.117 38 D HA -0.217 4.423 4.640 0.000 0.000 0.198 38 D C 1.801 178.049 176.300 -0.087 0.000 0.982 38 D CA 1.144 55.059 54.000 -0.141 0.000 0.828 38 D CB 0.033 40.666 40.800 -0.277 0.000 0.967 38 D HN 0.223 nan 8.370 nan 0.000 0.464 39 D N -0.788 119.575 120.400 -0.061 0.000 2.149 39 D HA -0.141 4.499 4.640 0.000 0.000 0.198 39 D C 1.927 178.173 176.300 -0.090 0.000 0.990 39 D CA 1.044 55.015 54.000 -0.049 0.000 0.839 39 D CB -0.069 40.722 40.800 -0.015 0.000 0.948 39 D HN 0.227 nan 8.370 nan 0.000 0.460 40 M N -0.718 118.814 119.600 -0.114 0.000 2.619 40 M HA 0.001 4.481 4.480 0.000 0.000 0.251 40 M C 0.195 176.216 176.300 -0.465 0.000 1.106 40 M CA 0.646 55.794 55.300 -0.253 0.000 1.086 40 M CB 0.242 32.722 32.600 -0.200 0.000 1.465 40 M HN -0.108 nan 8.290 nan 0.000 0.506 41 D N -0.155 120.071 120.400 -0.289 0.000 2.775 41 D HA -0.216 4.424 4.640 0.000 0.000 0.235 41 D C -1.288 174.830 176.300 -0.303 0.000 1.120 41 D CA 0.686 54.537 54.000 -0.248 0.000 0.708 41 D CB -1.424 39.247 40.800 -0.215 0.000 1.084 41 D HN 0.518 nan 8.370 nan 0.000 0.434 42 Y N -0.859 119.446 120.300 0.008 0.000 2.907 42 Y HA 0.442 4.992 4.550 0.000 0.000 0.332 42 Y C 1.949 177.864 175.900 0.025 0.000 1.211 42 Y CA -0.500 57.607 58.100 0.012 0.000 1.387 42 Y CB 0.873 39.355 38.460 0.037 0.000 1.396 42 Y HN 0.151 nan 8.280 nan 0.000 0.519 43 G N 0.893 109.770 108.800 0.128 0.000 2.491 43 G HA2 -0.316 3.644 3.960 0.000 0.000 0.218 43 G HA3 -0.316 3.644 3.960 0.000 0.000 0.218 43 G C 1.433 176.399 174.900 0.109 0.000 1.180 43 G CA 1.028 46.182 45.100 0.091 0.000 0.774 43 G HN 0.603 nan 8.290 nan 0.000 0.562 44 E N -0.112 120.147 120.200 0.098 0.000 2.085 44 E HA -0.081 4.269 4.350 0.000 0.000 0.194 44 E C 2.621 179.312 176.600 0.152 0.000 0.994 44 E CA 0.610 57.069 56.400 0.097 0.000 0.801 44 E CB -0.176 29.566 29.700 0.069 0.000 0.743 44 E HN 0.474 nan 8.360 nan 0.000 0.453 45 L N 0.160 121.499 121.223 0.194 0.000 2.046 45 L HA -0.176 4.164 4.340 0.000 0.000 0.208 45 L C 2.673 179.709 176.870 0.276 0.000 1.077 45 L CA 1.104 56.114 54.840 0.284 0.000 0.747 45 L CB -0.511 41.730 42.059 0.302 0.000 0.896 45 L HN 0.203 nan 8.230 nan 0.000 0.432 46 A N -0.001 122.953 122.820 0.224 0.000 1.902 46 A HA -0.157 4.163 4.320 0.000 0.000 0.217 46 A C 2.532 180.291 177.584 0.292 0.000 1.181 46 A CA 1.710 53.882 52.037 0.225 0.000 0.623 46 A CB -0.670 18.377 19.000 0.079 0.000 0.818 46 A HN 0.407 nan 8.150 nan 0.000 0.443 47 A N 0.234 123.161 122.820 0.178 0.000 1.877 47 A HA -0.204 4.116 4.320 0.000 0.000 0.216 47 A C 1.976 179.573 177.584 0.021 0.000 1.186 47 A CA 1.774 53.871 52.037 0.099 0.000 0.620 47 A CB -0.631 18.405 19.000 0.060 0.000 0.822 47 A HN 0.540 nan 8.150 nan 0.000 0.443 48 N N -1.047 117.662 118.700 0.015 0.000 2.244 48 N HA -0.130 4.610 4.740 0.000 0.000 0.183 48 N C 1.633 177.057 175.510 -0.143 0.000 1.016 48 N CA 1.671 54.640 53.050 -0.136 0.000 0.866 48 N CB -0.350 37.989 38.487 -0.248 0.000 0.980 48 N HN 0.490 nan 8.380 nan 0.000 0.430 49 M N 1.674 121.297 119.600 0.037 0.000 2.117 49 M HA -0.127 4.353 4.480 0.000 0.000 0.262 49 M C 1.932 178.193 176.300 -0.064 0.000 1.065 49 M CA 1.603 56.925 55.300 0.036 0.000 1.114 49 M CB -0.192 32.496 32.600 0.147 0.000 1.361 49 M HN -0.046 nan 8.290 nan 0.000 0.408 50 K N -0.380 119.948 120.400 -0.119 0.000 2.097 50 K HA -0.106 4.214 4.320 0.000 0.000 0.205 50 K C 1.825 178.305 176.600 -0.200 0.000 1.050 50 K CA 1.304 57.410 56.287 -0.302 0.000 0.938 50 K CB -0.261 31.885 32.500 -0.591 0.000 0.718 50 K HN 0.439 nan 8.250 nan 0.000 0.442 51 L N 0.852 121.974 121.223 -0.169 0.000 2.083 51 L HA -0.179 4.161 4.340 0.000 0.000 0.209 51 L C 2.353 179.117 176.870 -0.176 0.000 1.083 51 L CA 1.069 55.815 54.840 -0.156 0.000 0.752 51 L CB -0.325 41.644 42.059 -0.151 0.000 0.899 51 L HN 0.243 nan 8.230 nan 0.000 0.433 52 I N -0.283 120.141 120.570 -0.244 0.000 2.252 52 I HA -0.236 3.934 4.170 0.000 0.000 0.245 52 I C 2.810 178.838 176.117 -0.148 0.000 1.102 52 I CA 0.954 62.042 61.300 -0.355 0.000 1.385 52 I CB -0.420 37.240 38.000 -0.566 0.000 1.064 52 I HN 0.181 nan 8.210 nan 0.000 0.414 53 A N 1.181 123.979 122.820 -0.036 0.000 1.917 53 A HA -0.211 4.109 4.320 0.000 0.000 0.219 53 A C 2.265 179.818 177.584 -0.053 0.000 1.182 53 A CA 1.688 53.741 52.037 0.027 0.000 0.633 53 A CB -0.849 18.133 19.000 -0.030 0.000 0.819 53 A HN 0.417 nan 8.150 nan 0.000 0.448 54 I N -0.378 120.135 120.570 -0.095 0.000 2.439 54 I HA -0.188 3.982 4.170 0.000 0.000 0.251 54 I C 1.715 177.765 176.117 -0.112 0.000 1.139 54 I CA 1.122 62.365 61.300 -0.096 0.000 1.438 54 I CB -0.441 37.502 38.000 -0.096 0.000 1.085 54 I HN 0.216 nan 8.210 nan 0.000 0.427 55 D N 0.962 121.288 120.400 -0.123 0.000 2.123 55 D HA -0.178 4.462 4.640 0.000 0.000 0.196 55 D C 2.119 178.152 176.300 -0.444 0.000 0.992 55 D CA 1.134 55.006 54.000 -0.214 0.000 0.833 55 D CB -0.222 40.573 40.800 -0.008 0.000 0.954 55 D HN 0.316 nan 8.370 nan 0.000 0.455 56 E N 0.221 120.312 120.200 -0.182 0.000 2.110 56 E HA -0.114 4.236 4.350 0.000 0.000 0.193 56 E C 2.280 178.867 176.600 -0.022 0.000 0.988 56 E CA 0.476 56.846 56.400 -0.050 0.000 0.804 56 E CB -0.370 29.394 29.700 0.107 0.000 0.745 56 E HN 0.430 nan 8.360 nan 0.000 0.458 57 M N 0.301 119.871 119.600 -0.050 0.000 2.080 57 M HA -0.178 4.302 4.480 0.000 0.000 0.260 57 M C 2.442 178.725 176.300 -0.028 0.000 1.068 57 M CA 1.602 56.886 55.300 -0.026 0.000 1.109 57 M CB -0.302 32.270 32.600 -0.046 0.000 1.342 57 M HN -0.036 nan 8.290 nan 0.000 0.405 58 R N -0.786 119.663 120.500 -0.085 0.000 2.081 58 R HA -0.130 4.210 4.340 0.000 0.000 0.235 58 R C 1.994 178.278 176.300 -0.028 0.000 1.131 58 R CA 1.682 57.741 56.100 -0.069 0.000 0.960 58 R CB -0.551 29.694 30.300 -0.092 0.000 0.856 58 R HN 0.573 nan 8.270 nan 0.000 0.436 59 H N -0.643 118.375 119.070 -0.086 0.000 2.319 59 H HA -0.132 4.424 4.556 0.000 0.000 0.299 59 H C 2.140 177.325 175.328 -0.239 0.000 1.092 59 H CA 0.822 56.719 56.048 -0.251 0.000 1.302 59 H CB -0.066 29.648 29.762 -0.080 0.000 1.373 59 H HN 0.333 nan 8.280 nan 0.000 0.497 60 A N 1.008 123.930 122.820 0.171 0.000 1.940 60 A HA -0.257 4.063 4.320 0.000 0.000 0.219 60 A C 2.211 179.875 177.584 0.134 0.000 1.176 60 A CA 1.934 54.108 52.037 0.229 0.000 0.631 60 A CB -0.471 18.639 19.000 0.183 0.000 0.814 60 A HN 0.562 nan 8.150 nan 0.000 0.446 61 E N -0.089 120.142 120.200 0.051 0.000 2.072 61 E HA -0.193 4.157 4.350 0.000 0.000 0.191 61 E C 1.821 178.418 176.600 -0.006 0.000 0.985 61 E CA 1.323 57.737 56.400 0.023 0.000 0.801 61 E CB -0.226 29.475 29.700 0.002 0.000 0.750 61 E HN 0.811 nan 8.360 nan 0.000 0.452 62 N N -0.596 118.055 118.700 -0.081 0.000 2.188 62 N HA -0.110 4.630 4.740 0.000 0.000 0.184 62 N C 1.753 177.201 175.510 -0.104 0.000 1.018 62 N CA 0.965 53.931 53.050 -0.140 0.000 0.858 62 N CB -0.150 38.184 38.487 -0.255 0.000 0.989 62 N HN 0.136 nan 8.380 nan 0.000 0.426 63 F N 1.328 121.228 119.950 -0.084 0.000 2.102 63 F HA -0.153 4.374 4.527 0.000 0.000 0.298 63 F C 2.636 178.389 175.800 -0.079 0.000 1.105 63 F CA 0.552 58.473 58.000 -0.132 0.000 1.239 63 F CB -0.125 38.803 39.000 -0.121 0.000 0.991 63 F HN 0.089 nan 8.300 nan 0.000 0.474 64 A N -0.023 122.890 122.820 0.154 0.000 1.969 64 A HA -0.180 4.140 4.320 0.000 0.000 0.218 64 A C 1.935 179.545 177.584 0.043 0.000 1.169 64 A CA 1.588 53.673 52.037 0.080 0.000 0.635 64 A CB -0.645 18.396 19.000 0.068 0.000 0.810 64 A HN 0.419 nan 8.150 nan 0.000 0.445 65 E N -0.871 119.346 120.200 0.028 0.000 2.072 65 E HA -0.205 4.145 4.350 0.000 0.000 0.191 65 E C 2.287 178.891 176.600 0.007 0.000 0.985 65 E CA 1.180 57.586 56.400 0.009 0.000 0.801 65 E CB -0.108 29.588 29.700 -0.006 0.000 0.750 65 E HN 0.421 nan 8.360 nan 0.000 0.452 66 R N 1.232 121.738 120.500 0.011 0.000 2.075 66 R HA -0.070 4.270 4.340 0.000 0.000 0.232 66 R C 1.994 178.299 176.300 0.009 0.000 1.126 66 R CA 1.150 57.254 56.100 0.007 0.000 0.963 66 R CB -0.572 29.732 30.300 0.006 0.000 0.858 66 R HN 0.163 nan 8.270 nan 0.000 0.435 67 I N 0.769 121.348 120.570 0.015 0.000 2.194 67 I HA -0.339 3.831 4.170 0.000 0.000 0.246 67 I C 1.994 178.113 176.117 0.002 0.000 1.093 67 I CA 1.392 62.694 61.300 0.003 0.000 1.355 67 I CB -0.249 37.753 38.000 0.003 0.000 1.046 67 I HN 0.076 nan 8.210 nan 0.000 0.413 68 K N 0.680 121.084 120.400 0.007 0.000 2.057 68 K HA -0.161 4.159 4.320 0.000 0.000 0.206 68 K C 1.926 178.527 176.600 0.002 0.000 1.050 68 K CA 1.331 57.620 56.287 0.004 0.000 0.935 68 K CB -0.447 32.056 32.500 0.006 0.000 0.715 68 K HN 0.414 nan 8.250 nan 0.000 0.439 69 E N 0.511 120.712 120.200 0.002 0.000 2.171 69 E HA -0.133 4.217 4.350 0.000 0.000 0.197 69 E C 1.521 178.121 176.600 0.001 0.000 0.997 69 E CA 0.796 57.197 56.400 0.001 0.000 0.810 69 E CB -0.018 29.682 29.700 0.000 0.000 0.738 69 E HN 0.187 nan 8.360 nan 0.000 0.467 70 L N -0.896 120.327 121.223 0.000 0.000 2.611 70 L HA 0.199 4.539 4.340 0.000 0.000 0.229 70 L C 1.246 178.114 176.870 -0.003 0.000 1.137 70 L CA 0.239 55.079 54.840 -0.001 0.000 0.901 70 L CB 0.388 42.446 42.059 -0.002 0.000 1.098 70 L HN 0.274 nan 8.230 nan 0.000 0.456 71 G N -0.143 108.656 108.800 -0.003 0.000 2.159 71 G HA2 -0.231 3.729 3.960 0.000 0.000 0.256 71 G HA3 -0.231 3.729 3.960 0.000 0.000 0.256 71 G C 0.539 175.436 174.900 -0.005 0.000 0.977 71 G CA -0.058 45.040 45.100 -0.003 0.000 0.652 71 G HN 0.508 nan 8.290 nan 0.000 0.531 72 G N -0.770 108.026 108.800 -0.007 0.000 2.543 72 G HA2 0.587 4.547 3.960 0.000 0.000 0.290 72 G HA3 0.587 4.547 3.960 0.000 0.000 0.290 72 G C -0.427 174.469 174.900 -0.006 0.000 1.310 72 G CA 0.160 45.255 45.100 -0.010 0.000 1.025 72 G HN 0.431 nan 8.290 nan 0.000 0.502 73 E N -0.080 120.116 120.200 -0.007 0.000 2.191 73 E HA 0.490 4.840 4.350 0.000 0.000 0.263 73 E C -2.508 174.091 176.600 -0.001 0.000 0.881 73 E CA -2.083 54.315 56.400 -0.003 0.000 0.757 73 E CB 1.811 31.509 29.700 -0.003 0.000 1.147 73 E HN 0.084 nan 8.360 nan 0.000 0.414 74 P HA 0.078 nan 4.420 nan 0.000 0.271 74 P C -0.414 176.896 177.300 0.017 0.000 1.226 74 P CA -0.249 62.860 63.100 0.015 0.000 0.765 74 P CB 0.935 32.652 31.700 0.029 0.000 0.835 75 T N 1.668 116.230 114.554 0.013 0.000 2.855 75 T HA 0.131 4.481 4.350 0.000 0.000 0.322 75 T C 1.117 175.836 174.700 0.033 0.000 1.088 75 T CA 0.690 62.799 62.100 0.016 0.000 1.104 75 T CB 0.003 68.877 68.868 0.010 0.000 0.996 75 T HN 0.568 nan 8.240 nan 0.000 0.549 76 T N 0.892 115.464 114.554 0.030 0.000 3.091 76 T HA 0.300 4.650 4.350 0.000 0.000 0.277 76 T C 0.148 174.870 174.700 0.036 0.000 0.996 76 T CA -0.518 61.606 62.100 0.040 0.000 0.897 76 T CB 0.235 69.122 68.868 0.032 0.000 1.109 76 T HN 0.614 nan 8.240 nan 0.000 0.534 77 Q N 2.211 122.028 119.800 0.029 0.000 2.274 77 Q HA 0.447 4.787 4.340 0.000 0.000 0.260 77 Q C -0.634 175.385 176.000 0.031 0.000 0.974 77 Q CA -0.743 55.070 55.803 0.017 0.000 0.876 77 Q CB 2.325 31.069 28.738 0.009 0.000 1.297 77 Q HN 0.570 nan 8.270 nan 0.000 0.446 78 K N 0.115 120.523 120.400 0.014 0.000 2.098 78 K HA 0.398 4.718 4.320 0.000 0.000 0.257 78 K C -0.312 176.322 176.600 0.056 0.000 0.999 78 K CA -0.784 55.535 56.287 0.053 0.000 0.924 78 K CB 0.961 33.471 32.500 0.017 0.000 1.028 78 K HN 0.298 nan 8.250 nan 0.000 0.466 79 E N 0.860 121.109 120.200 0.082 0.000 2.044 79 E HA 0.339 4.689 4.350 0.000 0.000 0.282 79 E C -0.072 176.488 176.600 -0.066 0.000 1.031 79 E CA 0.639 57.049 56.400 0.018 0.000 0.824 79 E CB 0.160 29.875 29.700 0.024 0.000 1.076 79 E HN 0.820 nan 8.360 nan 0.000 0.395 80 G N 1.946 110.718 108.800 -0.046 0.000 2.655 80 G HA2 0.252 4.212 3.960 0.000 0.000 0.680 80 G HA3 0.252 4.212 3.960 0.000 0.000 0.680 80 G C -0.673 174.253 174.900 0.043 0.000 1.302 80 G CA -0.504 44.541 45.100 -0.091 0.000 0.872 80 G HN 0.705 nan 8.290 nan 0.000 0.540 81 K N -0.748 119.681 120.400 0.048 0.000 2.138 81 K HA 0.846 5.166 4.320 0.000 0.000 0.263 81 K C 0.261 176.996 176.600 0.224 0.000 0.965 81 K CA -0.016 56.335 56.287 0.107 0.000 0.868 81 K CB 1.823 34.353 32.500 0.051 0.000 1.083 81 K HN 1.757 nan 8.250 nan 0.000 0.443 82 V N 2.865 122.864 119.914 0.141 0.000 2.432 82 V HA 0.195 4.315 4.120 0.000 0.000 0.271 82 V C 0.117 176.252 176.094 0.067 0.000 1.046 82 V CA -0.845 61.501 62.300 0.076 0.000 0.945 82 V CB 1.200 33.014 31.823 -0.015 0.000 0.992 82 V HN 0.584 nan 8.190 nan 0.000 0.471 83 V N 5.669 125.626 119.914 0.072 0.000 2.461 83 V HA 0.399 4.519 4.120 0.000 0.000 0.275 83 V C 0.673 176.791 176.094 0.040 0.000 1.047 83 V CA -0.180 62.151 62.300 0.052 0.000 0.955 83 V CB 1.290 33.143 31.823 0.050 0.000 0.988 83 V HN 1.055 nan 8.190 nan 0.000 0.471 84 T N 0.737 115.314 114.554 0.038 0.000 2.949 84 T HA 0.687 5.037 4.350 0.000 0.000 0.287 84 T C 0.934 175.655 174.700 0.035 0.000 1.034 84 T CA -0.015 62.110 62.100 0.042 0.000 1.018 84 T CB 1.674 70.570 68.868 0.046 0.000 1.135 84 T HN 1.640 nan 8.240 nan 0.000 0.532 85 G N 0.652 109.475 108.800 0.038 0.000 2.153 85 G HA2 -0.243 3.717 3.960 0.000 0.000 0.252 85 G HA3 -0.243 3.717 3.960 0.000 0.000 0.252 85 G C -0.079 174.840 174.900 0.031 0.000 0.994 85 G CA 0.300 45.420 45.100 0.034 0.000 0.698 85 G HN 0.982 nan 8.290 nan 0.000 0.521 86 Q N 0.246 120.061 119.800 0.026 0.000 2.337 86 Q HA 0.558 4.898 4.340 0.000 0.000 0.270 86 Q C 0.864 176.880 176.000 0.028 0.000 1.002 86 Q CA 0.250 56.063 55.803 0.017 0.000 0.888 86 Q CB 0.967 29.702 28.738 -0.005 0.000 1.222 86 Q HN 0.753 nan 8.270 nan 0.000 0.400 87 A N 2.442 125.283 122.820 0.035 0.000 2.366 87 A HA 0.116 4.436 4.320 0.000 0.000 0.249 87 A C 1.205 178.828 177.584 0.064 0.000 1.084 87 A CA -0.566 51.504 52.037 0.055 0.000 0.794 87 A CB 0.404 19.436 19.000 0.053 0.000 1.034 87 A HN 0.713 nan 8.150 nan 0.000 0.491 88 V N 1.811 121.789 119.914 0.106 0.000 2.252 88 V HA -0.198 3.922 4.120 0.000 0.000 0.249 88 V C -0.451 175.756 176.094 0.189 0.000 1.056 88 V CA 2.844 65.244 62.300 0.167 0.000 1.022 88 V CB -1.663 30.265 31.823 0.176 0.000 0.641 88 V HN 0.822 nan 8.190 nan 0.000 0.445 89 P HA -0.093 nan 4.420 nan 0.000 0.216 89 P C 1.853 179.201 177.300 0.081 0.000 1.150 89 P CA 1.215 64.381 63.100 0.110 0.000 0.837 89 P CB -0.076 31.659 31.700 0.057 0.000 0.786 90 V N -0.619 119.320 119.914 0.042 0.000 2.548 90 V HA -0.189 3.931 4.120 0.000 0.000 0.249 90 V C 2.336 178.400 176.094 -0.050 0.000 1.055 90 V CA 1.275 63.578 62.300 0.004 0.000 1.065 90 V CB -1.010 30.815 31.823 0.005 0.000 0.681 90 V HN 0.053 nan 8.190 nan 0.000 0.462 91 I N -0.789 119.722 120.570 -0.098 0.000 2.118 91 I HA -0.324 3.846 4.170 0.000 0.000 0.241 91 I C 2.367 178.211 176.117 -0.455 0.000 1.070 91 I CA 2.207 63.321 61.300 -0.310 0.000 1.327 91 I CB -0.381 37.342 38.000 -0.461 0.000 1.034 91 I HN 0.295 nan 8.210 nan 0.000 0.405 92 Y N 0.472 120.722 120.300 -0.084 0.000 2.337 92 Y HA -0.100 4.450 4.550 0.000 0.000 0.293 92 Y C 2.568 178.403 175.900 -0.109 0.000 1.123 92 Y CA 0.649 58.679 58.100 -0.116 0.000 1.201 92 Y CB -0.218 38.204 38.460 -0.063 0.000 1.011 92 Y HN 0.130 nan 8.280 nan 0.000 0.545 93 E N 0.054 120.276 120.200 0.037 0.000 2.038 93 E HA -0.206 4.144 4.350 0.000 0.000 0.195 93 E C 2.303 178.888 176.600 -0.026 0.000 1.000 93 E CA 1.914 58.319 56.400 0.009 0.000 0.803 93 E CB -0.303 29.402 29.700 0.008 0.000 0.750 93 E HN 0.493 nan 8.360 nan 0.000 0.448 94 S N 0.913 116.580 115.700 -0.056 0.000 2.436 94 S HA -0.105 4.365 4.470 0.000 0.000 0.228 94 S C 1.459 176.015 174.600 -0.073 0.000 1.014 94 S CA 0.923 59.095 58.200 -0.046 0.000 0.950 94 S CB -0.026 63.154 63.200 -0.032 0.000 0.784 94 S HN 0.052 nan 8.310 nan 0.000 0.504 95 D N 2.506 122.775 120.400 -0.218 0.000 2.144 95 D HA 0.132 4.772 4.640 0.000 0.000 0.200 95 D C 2.255 178.453 176.300 -0.170 0.000 0.978 95 D CA 1.370 55.144 54.000 -0.377 0.000 0.833 95 D CB -0.632 39.406 40.800 -1.270 0.000 0.961 95 D HN 0.526 nan 8.370 nan 0.000 0.470 96 A N 1.098 123.881 122.820 -0.060 0.000 1.902 96 A HA -0.184 4.136 4.320 0.000 0.000 0.217 96 A C 1.793 179.424 177.584 0.078 0.000 1.181 96 A CA 1.659 53.763 52.037 0.111 0.000 0.623 96 A CB -0.431 18.634 19.000 0.108 0.000 0.818 96 A HN 0.028 nan 8.150 nan 0.000 0.443 97 D N -0.843 119.577 120.400 0.033 0.000 2.149 97 D HA -0.187 4.453 4.640 0.000 0.000 0.198 97 D C 2.035 178.356 176.300 0.035 0.000 0.990 97 D CA 1.616 55.631 54.000 0.025 0.000 0.839 97 D CB -0.340 40.465 40.800 0.009 0.000 0.948 97 D HN 0.741 nan 8.370 nan 0.000 0.460 98 Q N 0.266 120.100 119.800 0.056 0.000 2.123 98 Q HA -0.129 4.211 4.340 0.000 0.000 0.199 98 Q C 1.700 177.761 176.000 0.101 0.000 0.966 98 Q CA 0.877 56.726 55.803 0.076 0.000 0.845 98 Q CB 0.266 29.079 28.738 0.125 0.000 0.907 98 Q HN 0.116 nan 8.270 nan 0.000 0.439 99 E N 0.948 121.251 120.200 0.172 0.000 2.047 99 E HA -0.199 4.151 4.350 0.000 0.000 0.191 99 E C 1.586 178.233 176.600 0.077 0.000 0.987 99 E CA 1.498 58.014 56.400 0.193 0.000 0.799 99 E CB -0.271 29.625 29.700 0.326 0.000 0.752 99 E HN 0.516 nan 8.360 nan 0.000 0.449 100 D N 0.582 121.022 120.400 0.067 0.000 2.133 100 D HA -0.161 4.479 4.640 0.000 0.000 0.195 100 D C 1.876 178.160 176.300 -0.028 0.000 0.997 100 D CA 1.809 55.821 54.000 0.019 0.000 0.840 100 D CB 0.022 40.835 40.800 0.022 0.000 0.947 100 D HN 0.141 nan 8.370 nan 0.000 0.452 101 A N -0.734 122.067 122.820 -0.033 0.000 1.930 101 A HA -0.120 4.200 4.320 0.000 0.000 0.217 101 A C 2.369 179.869 177.584 -0.141 0.000 1.175 101 A CA 1.967 53.961 52.037 -0.072 0.000 0.627 101 A CB -0.935 18.032 19.000 -0.055 0.000 0.815 101 A HN 0.307 nan 8.150 nan 0.000 0.443 102 T N 0.425 114.878 114.554 -0.168 0.000 2.708 102 T HA -0.103 4.247 4.350 0.000 0.000 0.266 102 T C 1.782 176.194 174.700 -0.481 0.000 1.037 102 T CA 1.573 63.439 62.100 -0.389 0.000 1.146 102 T CB -0.423 68.237 68.868 -0.345 0.000 0.865 102 T HN 0.435 nan 8.240 nan 0.000 0.435 103 I N 0.892 121.318 120.570 -0.240 0.000 2.208 103 I HA -0.164 4.006 4.170 0.000 0.000 0.245 103 I C 2.780 178.822 176.117 -0.125 0.000 1.097 103 I CA 1.120 62.343 61.300 -0.129 0.000 1.363 103 I CB -0.347 37.627 38.000 -0.043 0.000 1.051 103 I HN 0.158 nan 8.210 nan 0.000 0.413 104 E N 0.999 121.116 120.200 -0.139 0.000 2.023 104 E HA -0.255 4.095 4.350 0.000 0.000 0.196 104 E C 2.358 178.821 176.600 -0.228 0.000 1.003 104 E CA 1.753 58.069 56.400 -0.140 0.000 0.809 104 E CB -0.423 29.206 29.700 -0.119 0.000 0.755 104 E HN 0.517 nan 8.360 nan 0.000 0.449 105 A N 0.857 123.489 122.820 -0.313 0.000 1.877 105 A HA -0.197 4.123 4.320 0.000 0.000 0.216 105 A C 2.118 179.209 177.584 -0.823 0.000 1.186 105 A CA 1.466 53.161 52.037 -0.571 0.000 0.620 105 A CB -0.910 17.803 19.000 -0.478 0.000 0.822 105 A HN 0.238 nan 8.150 nan 0.000 0.443 106 Y N 0.898 120.846 120.300 -0.586 0.000 2.352 106 Y HA -0.082 4.468 4.550 0.000 0.000 0.292 106 Y C 2.938 178.595 175.900 -0.405 0.000 1.136 106 Y CA 0.560 58.392 58.100 -0.447 0.000 1.227 106 Y CB -1.087 37.417 38.460 0.073 0.000 0.991 106 Y HN 0.291 nan 8.280 nan 0.000 0.545 107 S N -0.306 115.320 115.700 -0.124 0.000 2.383 107 S HA -0.167 4.303 4.470 0.000 0.000 0.227 107 S C 1.967 176.479 174.600 -0.146 0.000 1.026 107 S CA 0.913 59.054 58.200 -0.097 0.000 0.981 107 S CB -0.106 63.056 63.200 -0.064 0.000 0.818 107 S HN 0.485 nan 8.310 nan 0.000 0.472 108 Q N 0.567 120.231 119.800 -0.227 0.000 2.046 108 Q HA 0.019 4.359 4.340 0.000 0.000 0.200 108 Q C 1.920 177.889 176.000 -0.051 0.000 0.975 108 Q CA 1.153 56.867 55.803 -0.148 0.000 0.836 108 Q CB -0.613 28.025 28.738 -0.168 0.000 0.896 108 Q HN 0.631 nan 8.270 nan 0.000 0.428 109 F N 0.881 120.647 119.950 -0.308 0.000 2.126 109 F HA -0.225 4.302 4.527 0.000 0.000 0.299 109 F C 2.474 177.941 175.800 -0.554 0.000 1.096 109 F CA 0.159 57.839 58.000 -0.533 0.000 1.255 109 F CB -0.280 38.108 39.000 -1.020 0.000 0.997 109 F HN 0.077 nan 8.300 nan 0.000 0.479 110 L N 0.726 121.747 121.223 -0.336 0.000 2.013 110 L HA -0.301 4.039 4.340 0.000 0.000 0.212 110 L C 2.538 179.388 176.870 -0.034 0.000 1.073 110 L CA 1.672 56.431 54.840 -0.135 0.000 0.753 110 L CB -0.384 41.651 42.059 -0.040 0.000 0.890 110 L HN 0.062 nan 8.230 nan 0.000 0.432 111 K N -0.941 119.437 120.400 -0.036 0.000 2.044 111 K HA -0.218 4.102 4.320 0.000 0.000 0.210 111 K C 1.869 178.469 176.600 0.000 0.000 1.049 111 K CA 2.098 58.379 56.287 -0.011 0.000 0.927 111 K CB -0.162 32.330 32.500 -0.014 0.000 0.713 111 K HN 0.232 nan 8.250 nan 0.000 0.443 112 V N 0.617 120.531 119.914 0.000 0.000 2.287 112 V HA -0.379 3.741 4.120 0.000 0.000 0.248 112 V C 2.464 178.563 176.094 0.009 0.000 1.053 112 V CA 1.919 64.221 62.300 0.003 0.000 1.027 112 V CB -0.550 31.269 31.823 -0.007 0.000 0.646 112 V HN 0.530 nan 8.190 nan 0.000 0.447 113 C N -0.226 119.087 119.300 0.021 0.000 2.393 113 C HA -0.228 4.232 4.460 0.000 0.000 0.276 113 C C 2.788 177.804 174.990 0.043 0.000 1.215 113 C CA 1.471 60.523 59.018 0.056 0.000 1.743 113 C CB -1.040 26.775 27.740 0.124 0.000 2.044 113 C HN 0.547 nan 8.230 nan 0.000 0.464 114 K N 0.489 120.911 120.400 0.037 0.000 2.057 114 K HA -0.157 4.163 4.320 0.000 0.000 0.207 114 K C 1.895 178.507 176.600 0.020 0.000 1.049 114 K CA 1.491 57.796 56.287 0.030 0.000 0.931 114 K CB -0.227 32.288 32.500 0.026 0.000 0.714 114 K HN 0.559 nan 8.250 nan 0.000 0.440 115 E N 0.328 120.537 120.200 0.015 0.000 2.204 115 E HA -0.158 4.192 4.350 0.000 0.000 0.195 115 E C 1.372 177.978 176.600 0.010 0.000 0.990 115 E CA 0.810 57.216 56.400 0.010 0.000 0.821 115 E CB 0.203 29.907 29.700 0.007 0.000 0.750 115 E HN 0.227 nan 8.360 nan 0.000 0.477 116 Q N -0.788 119.019 119.800 0.012 0.000 2.246 116 Q HA 0.121 4.461 4.340 0.000 0.000 0.202 116 Q C 0.877 176.886 176.000 0.014 0.000 0.883 116 Q CA 0.586 56.395 55.803 0.011 0.000 0.952 116 Q CB 1.214 29.956 28.738 0.008 0.000 1.078 116 Q HN 0.363 nan 8.270 nan 0.000 0.493 117 G N 2.093 110.903 108.800 0.018 0.000 2.179 117 G HA2 -0.244 3.716 3.960 0.000 0.000 0.257 117 G HA3 -0.244 3.716 3.960 0.000 0.000 0.257 117 G C -0.247 174.667 174.900 0.023 0.000 1.010 117 G CA 0.427 45.538 45.100 0.018 0.000 0.736 117 G HN 0.328 nan 8.290 nan 0.000 0.513 118 D N 0.587 121.006 120.400 0.031 0.000 2.500 118 D HA 0.383 5.023 4.640 0.000 0.000 0.219 118 D C 1.760 178.089 176.300 0.050 0.000 1.137 118 D CA -0.818 53.205 54.000 0.038 0.000 0.946 118 D CB -0.030 40.797 40.800 0.045 0.000 1.022 118 D HN 0.042 nan 8.370 nan 0.000 0.518 119 I N 2.714 123.308 120.570 0.039 0.000 2.286 119 I HA -0.178 3.992 4.170 0.000 0.000 0.245 119 I C 2.376 178.520 176.117 0.044 0.000 1.104 119 I CA 0.541 61.866 61.300 0.041 0.000 1.397 119 I CB -0.718 37.299 38.000 0.029 0.000 1.072 119 I HN 0.243 nan 8.210 nan 0.000 0.417 120 V N 0.970 120.904 119.914 0.034 0.000 2.295 120 V HA -0.271 3.849 4.120 0.000 0.000 0.246 120 V C 2.571 178.686 176.094 0.036 0.000 1.049 120 V CA 2.345 64.661 62.300 0.027 0.000 1.024 120 V CB -1.093 30.739 31.823 0.015 0.000 0.648 120 V HN 0.419 nan 8.190 nan 0.000 0.447 121 T N 0.341 114.928 114.554 0.054 0.000 2.788 121 T HA -0.137 4.213 4.350 0.000 0.000 0.268 121 T C 2.039 176.844 174.700 0.174 0.000 1.044 121 T CA 1.475 63.626 62.100 0.085 0.000 1.139 121 T CB -0.417 68.520 68.868 0.114 0.000 0.867 121 T HN 0.567 nan 8.240 nan 0.000 0.454 122 A N 1.926 124.847 122.820 0.167 0.000 1.933 122 A HA -0.113 4.207 4.320 0.000 0.000 0.218 122 A C 2.397 180.080 177.584 0.165 0.000 1.175 122 A CA 1.061 53.217 52.037 0.198 0.000 0.628 122 A CB -0.331 18.742 19.000 0.121 0.000 0.814 122 A HN 0.189 nan 8.150 nan 0.000 0.444 123 R N -0.959 119.598 120.500 0.095 0.000 2.115 123 R HA -0.066 4.274 4.340 0.000 0.000 0.230 123 R C 2.015 178.340 176.300 0.041 0.000 1.111 123 R CA 1.196 57.333 56.100 0.062 0.000 0.976 123 R CB -1.200 29.119 30.300 0.032 0.000 0.870 123 R HN 0.543 nan 8.270 nan 0.000 0.445 124 L N 0.098 121.327 121.223 0.011 0.000 2.017 124 L HA -0.076 4.264 4.340 0.000 0.000 0.208 124 L C 2.004 178.823 176.870 -0.084 0.000 1.073 124 L CA 1.649 56.436 54.840 -0.088 0.000 0.745 124 L CB -0.731 41.230 42.059 -0.162 0.000 0.894 124 L HN -0.014 nan 8.230 nan 0.000 0.432 125 F N 0.177 120.165 119.950 0.063 0.000 2.171 125 F HA -0.201 4.326 4.527 0.000 0.000 0.300 125 F C 2.422 178.261 175.800 0.066 0.000 1.090 125 F CA 1.581 59.633 58.000 0.086 0.000 1.293 125 F CB -0.195 38.865 39.000 0.100 0.000 1.013 125 F HN 0.200 nan 8.300 nan 0.000 0.486 126 E N -0.152 120.184 120.200 0.226 0.000 2.051 126 E HA -0.214 4.136 4.350 0.000 0.000 0.192 126 E C 2.239 178.888 176.600 0.081 0.000 0.991 126 E CA 1.165 57.648 56.400 0.138 0.000 0.799 126 E CB -0.140 29.619 29.700 0.097 0.000 0.748 126 E HN 0.371 nan 8.360 nan 0.000 0.449 127 R N 0.257 120.779 120.500 0.037 0.000 2.092 127 R HA -0.027 4.313 4.340 0.000 0.000 0.231 127 R C 2.361 178.644 176.300 -0.028 0.000 1.119 127 R CA 0.909 57.008 56.100 -0.001 0.000 0.970 127 R CB -0.134 30.151 30.300 -0.025 0.000 0.864 127 R HN 0.197 nan 8.270 nan 0.000 0.440 128 I N 0.522 121.050 120.570 -0.071 0.000 2.353 128 I HA -0.231 3.939 4.170 0.000 0.000 0.248 128 I C 2.079 178.187 176.117 -0.014 0.000 1.119 128 I CA 1.151 62.336 61.300 -0.192 0.000 1.417 128 I CB -0.127 37.621 38.000 -0.421 0.000 1.078 128 I HN 0.148 nan 8.210 nan 0.000 0.421 129 I N 0.679 121.334 120.570 0.142 0.000 2.335 129 I HA -0.286 3.884 4.170 0.000 0.000 0.251 129 I C 2.317 178.468 176.117 0.057 0.000 1.129 129 I CA 1.432 62.826 61.300 0.158 0.000 1.402 129 I CB -0.325 37.786 38.000 0.185 0.000 1.069 129 I HN 0.271 nan 8.210 nan 0.000 0.424 130 E N 0.489 120.707 120.200 0.031 0.000 2.152 130 E HA -0.186 4.164 4.350 0.000 0.000 0.192 130 E C 1.960 178.542 176.600 -0.029 0.000 0.983 130 E CA 0.817 57.221 56.400 0.007 0.000 0.818 130 E CB 0.016 29.723 29.700 0.011 0.000 0.758 130 E HN 0.571 nan 8.360 nan 0.000 0.467 131 E N 0.774 120.945 120.200 -0.049 0.000 2.107 131 E HA -0.151 4.199 4.350 0.000 0.000 0.191 131 E C 1.892 178.301 176.600 -0.318 0.000 0.982 131 E CA 0.617 56.941 56.400 -0.126 0.000 0.809 131 E CB 0.071 29.777 29.700 0.009 0.000 0.756 131 E HN 0.189 nan 8.360 nan 0.000 0.459 132 E N 0.935 121.038 120.200 -0.162 0.000 2.153 132 E HA -0.215 4.135 4.350 0.000 0.000 0.194 132 E C 2.017 178.602 176.600 -0.025 0.000 0.988 132 E CA 0.908 57.250 56.400 -0.096 0.000 0.811 132 E CB -0.147 29.583 29.700 0.050 0.000 0.746 132 E HN 0.180 nan 8.360 nan 0.000 0.466 133 Q N 1.152 120.939 119.800 -0.020 0.000 2.084 133 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 133 Q C 1.995 178.008 176.000 0.021 0.000 0.978 133 Q CA 1.868 57.680 55.803 0.016 0.000 0.844 133 Q CB -0.418 28.328 28.738 0.013 0.000 0.898 133 Q HN 0.208 nan 8.270 nan 0.000 0.426 134 A N -0.464 122.343 122.820 -0.022 0.000 1.933 134 A HA -0.221 4.099 4.320 0.000 0.000 0.218 134 A C 1.812 179.450 177.584 0.090 0.000 1.175 134 A CA 1.734 53.779 52.037 0.014 0.000 0.628 134 A CB -0.963 18.029 19.000 -0.013 0.000 0.814 134 A HN 0.704 nan 8.150 nan 0.000 0.444 135 H N -1.638 117.440 119.070 0.012 0.000 2.357 135 H HA -0.082 4.474 4.556 0.000 0.000 0.301 135 H C 2.073 177.385 175.328 -0.027 0.000 1.082 135 H CA 0.941 56.945 56.048 -0.074 0.000 1.342 135 H CB -0.045 29.740 29.762 0.038 0.000 1.389 135 H HN 0.412 nan 8.280 nan 0.000 0.511 136 L N 0.799 122.158 121.223 0.227 0.000 1.989 136 L HA -0.180 4.160 4.340 0.000 0.000 0.211 136 L C 2.182 179.137 176.870 0.142 0.000 1.071 136 L CA 1.887 56.856 54.840 0.216 0.000 0.749 136 L CB -0.939 41.205 42.059 0.143 0.000 0.890 136 L HN 0.135 nan 8.230 nan 0.000 0.431 137 T N -1.380 113.229 114.554 0.091 0.000 2.720 137 T HA -0.265 4.085 4.350 0.000 0.000 0.268 137 T C 1.667 176.387 174.700 0.034 0.000 1.037 137 T CA 1.903 64.033 62.100 0.050 0.000 1.144 137 T CB -0.578 68.316 68.868 0.044 0.000 0.864 137 T HN 0.531 nan 8.240 nan 0.000 0.444 138 Y N 0.666 120.920 120.300 -0.076 0.000 2.145 138 Y HA -0.206 4.344 4.550 0.000 0.000 0.286 138 Y C 2.053 177.907 175.900 -0.077 0.000 1.145 138 Y CA 1.115 59.135 58.100 -0.133 0.000 1.148 138 Y CB -0.665 37.641 38.460 -0.256 0.000 0.981 138 Y HN 0.352 nan 8.280 nan 0.000 0.507 139 Y N 0.296 120.585 120.300 -0.018 0.000 2.224 139 Y HA -0.219 4.331 4.550 0.000 0.000 0.289 139 Y C 2.500 178.331 175.900 -0.115 0.000 1.146 139 Y CA 1.215 59.295 58.100 -0.032 0.000 1.182 139 Y CB -0.182 38.346 38.460 0.113 0.000 0.983 139 Y HN 0.212 nan 8.280 nan 0.000 0.524 140 E N 0.073 120.304 120.200 0.053 0.000 2.077 140 E HA -0.196 4.154 4.350 0.000 0.000 0.193 140 E C 1.853 178.333 176.600 -0.200 0.000 0.989 140 E CA 1.018 57.390 56.400 -0.047 0.000 0.800 140 E CB -0.136 29.547 29.700 -0.029 0.000 0.746 140 E HN 0.421 nan 8.360 nan 0.000 0.452 141 N N 0.772 119.312 118.700 -0.266 0.000 2.069 141 N HA -0.150 4.590 4.740 0.000 0.000 0.191 141 N C 1.772 176.881 175.510 -0.669 0.000 1.031 141 N CA 0.987 53.772 53.050 -0.441 0.000 0.852 141 N CB -0.171 38.130 38.487 -0.310 0.000 1.018 141 N HN 0.135 nan 8.380 nan 0.000 0.423 142 I N 0.434 120.634 120.570 -0.617 0.000 2.252 142 I HA -0.099 4.071 4.170 0.000 0.000 0.245 142 I C 2.384 178.152 176.117 -0.582 0.000 1.102 142 I CA 1.040 61.926 61.300 -0.691 0.000 1.385 142 I CB -1.808 35.580 38.000 -1.020 0.000 1.064 142 I HN 0.094 nan 8.210 nan 0.000 0.414 143 G N -0.029 108.553 108.800 -0.364 0.000 2.432 143 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 143 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 143 G C 1.873 176.633 174.900 -0.233 0.000 1.135 143 G CA 1.173 46.159 45.100 -0.189 0.000 0.767 143 G HN 0.449 nan 8.290 nan 0.000 0.550 144 S N -0.269 115.236 115.700 -0.324 0.000 2.371 144 S HA -0.110 4.360 4.470 0.000 0.000 0.224 144 S C 2.243 176.650 174.600 -0.322 0.000 1.029 144 S CA 1.215 59.232 58.200 -0.304 0.000 0.978 144 S CB -0.429 62.575 63.200 -0.326 0.000 0.833 144 S HN 0.515 nan 8.310 nan 0.000 0.466 145 H N 0.991 119.815 119.070 -0.409 0.000 2.353 145 H HA 0.048 4.604 4.556 0.000 0.000 0.300 145 H C 2.180 177.218 175.328 -0.483 0.000 1.090 145 H CA 1.503 57.208 56.048 -0.571 0.000 1.327 145 H CB -0.647 28.417 29.762 -1.163 0.000 1.383 145 H HN 0.423 nan 8.280 nan 0.000 0.508 146 I N 0.734 121.111 120.570 -0.322 0.000 2.179 146 I HA -0.233 3.937 4.170 0.000 0.000 0.242 146 I C 2.725 178.791 176.117 -0.086 0.000 1.088 146 I CA 1.133 62.338 61.300 -0.158 0.000 1.357 146 I CB -0.121 37.804 38.000 -0.125 0.000 1.051 146 I HN 0.124 nan 8.210 nan 0.000 0.409 147 K N 0.812 121.154 120.400 -0.096 0.000 2.057 147 K HA -0.205 4.115 4.320 0.000 0.000 0.207 147 K C 1.675 178.246 176.600 -0.048 0.000 1.049 147 K CA 1.656 57.906 56.287 -0.061 0.000 0.931 147 K CB -0.079 32.380 32.500 -0.069 0.000 0.714 147 K HN 0.342 nan 8.250 nan 0.000 0.440 148 N N 0.113 118.777 118.700 -0.059 0.000 2.395 148 N HA 0.003 4.743 4.740 0.000 0.000 0.175 148 N C 1.460 176.960 175.510 -0.017 0.000 1.029 148 N CA 0.740 53.770 53.050 -0.034 0.000 0.897 148 N CB 0.389 38.859 38.487 -0.028 0.000 0.991 148 N HN 0.230 nan 8.380 nan 0.000 0.441 149 L N -1.087 120.125 121.223 -0.020 0.000 2.993 149 L HA 0.306 4.646 4.340 0.000 0.000 0.264 149 L C 1.378 178.270 176.870 0.037 0.000 1.154 149 L CA 0.034 54.882 54.840 0.014 0.000 0.972 149 L CB 0.258 42.335 42.059 0.029 0.000 1.373 149 L HN 0.009 nan 8.230 nan 0.000 0.564 150 G N 1.399 110.214 108.800 0.024 0.000 2.661 150 G HA2 -0.415 3.545 3.960 0.000 0.000 0.327 150 G HA3 -0.415 3.545 3.960 0.000 0.000 0.327 150 G C 0.473 175.411 174.900 0.063 0.000 1.320 150 G CA 0.838 45.959 45.100 0.036 0.000 0.997 150 G HN 0.286 nan 8.290 nan 0.000 0.543 151 D N 0.141 120.566 120.400 0.042 0.000 2.309 151 D HA 0.022 4.662 4.640 0.000 0.000 0.212 151 D C 2.613 178.932 176.300 0.032 0.000 0.968 151 D CA 1.588 55.609 54.000 0.036 0.000 0.882 151 D CB -0.505 40.319 40.800 0.040 0.000 0.918 151 D HN 0.407 nan 8.370 nan 0.000 0.503 152 T N -0.399 114.181 114.554 0.042 0.000 2.867 152 T HA -0.165 4.185 4.350 0.000 0.000 0.268 152 T C 1.705 176.428 174.700 0.038 0.000 1.057 152 T CA 0.694 62.814 62.100 0.034 0.000 1.136 152 T CB -0.228 68.660 68.868 0.033 0.000 0.874 152 T HN 0.268 nan 8.240 nan 0.000 0.466 153 Y N 1.653 121.912 120.300 -0.069 0.000 2.176 153 Y HA 0.119 4.669 4.550 0.000 0.000 0.291 153 Y C 1.949 177.779 175.900 -0.117 0.000 1.122 153 Y CA 0.883 58.921 58.100 -0.102 0.000 1.128 153 Y CB -0.494 37.899 38.460 -0.112 0.000 1.005 153 Y HN 0.050 nan 8.280 nan 0.000 0.509 154 L N 0.187 121.303 121.223 -0.178 0.000 2.127 154 L HA -0.235 4.105 4.340 0.000 0.000 0.211 154 L C 2.704 179.473 176.870 -0.168 0.000 1.089 154 L CA 1.108 55.729 54.840 -0.364 0.000 0.757 154 L CB -0.932 40.897 42.059 -0.383 0.000 0.899 154 L HN 0.404 nan 8.230 nan 0.000 0.434 155 A N 0.050 122.827 122.820 -0.072 0.000 1.972 155 A HA -0.239 4.081 4.320 0.000 0.000 0.219 155 A C 2.405 179.960 177.584 -0.050 0.000 1.169 155 A CA 1.793 53.825 52.037 -0.008 0.000 0.635 155 A CB -0.359 18.642 19.000 0.002 0.000 0.810 155 A HN 0.363 nan 8.150 nan 0.000 0.446 156 K N -0.513 119.802 120.400 -0.142 0.000 2.228 156 K HA -0.027 4.293 4.320 0.000 0.000 0.202 156 K C 1.308 177.815 176.600 -0.154 0.000 1.051 156 K CA 1.021 57.218 56.287 -0.150 0.000 0.960 156 K CB -0.085 32.297 32.500 -0.196 0.000 0.743 156 K HN 0.363 nan 8.250 nan 0.000 0.458 157 I N 1.643 122.082 120.570 -0.218 0.000 2.876 157 I HA 0.042 4.212 4.170 0.000 0.000 0.264 157 I C 0.914 177.094 176.117 0.105 0.000 1.204 157 I CA 0.130 61.360 61.300 -0.117 0.000 1.485 157 I CB -1.435 36.417 38.000 -0.245 0.000 1.103 157 I HN 0.018 nan 8.210 nan 0.000 0.446 158 A N 1.171 124.102 122.820 0.186 0.000 2.566 158 A HA 0.347 4.667 4.320 0.000 0.000 0.245 158 A C 1.600 179.214 177.584 0.050 0.000 1.056 158 A CA 0.862 53.008 52.037 0.182 0.000 0.757 158 A CB -0.724 18.368 19.000 0.154 0.000 0.979 158 A HN 0.822 nan 8.150 nan 0.000 0.508 159 G N 2.538 111.342 108.800 0.008 0.000 2.153 159 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 159 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 159 G C 0.486 175.389 174.900 0.006 0.000 0.994 159 G CA 1.106 46.201 45.100 -0.008 0.000 0.698 159 G HN 1.966 nan 8.290 nan 0.000 0.521 160 T N -0.891 113.675 114.554 0.022 0.000 2.813 160 T HA 0.561 4.911 4.350 0.000 0.000 0.297 160 T C -1.909 172.804 174.700 0.022 0.000 1.036 160 T CA -1.093 61.017 62.100 0.018 0.000 1.044 160 T CB 1.380 70.260 68.868 0.019 0.000 0.993 160 T HN 0.109 nan 8.240 nan 0.000 0.535 161 P HA 0.188 nan 4.420 nan 0.000 0.268 161 P C 0.409 177.731 177.300 0.037 0.000 1.205 161 P CA -0.382 62.732 63.100 0.023 0.000 0.771 161 P CB 0.532 32.242 31.700 0.018 0.000 0.858 162 S N -0.551 115.175 115.700 0.043 0.000 2.554 162 S HA 0.113 4.583 4.470 0.000 0.000 0.226 162 S C 0.773 175.414 174.600 0.069 0.000 0.980 162 S CA -0.341 57.900 58.200 0.067 0.000 0.939 162 S CB -0.333 62.911 63.200 0.073 0.000 0.832 162 S HN 0.386 nan 8.310 nan 0.000 0.486 163 S N 2.609 118.336 115.700 0.044 0.000 2.537 163 S HA 0.226 4.696 4.470 0.000 0.000 0.286 163 S C 1.204 175.816 174.600 0.021 0.000 1.299 163 S CA 0.432 58.651 58.200 0.032 0.000 1.067 163 S CB 0.464 63.676 63.200 0.020 0.000 0.864 163 S HN 0.624 nan 8.310 nan 0.000 0.494 164 T N 1.620 116.180 114.554 0.010 0.000 3.092 164 T HA 0.576 4.926 4.350 0.000 0.000 0.258 164 T C 0.908 175.599 174.700 -0.015 0.000 1.031 164 T CA 0.254 62.346 62.100 -0.013 0.000 0.925 164 T CB -0.213 68.632 68.868 -0.038 0.000 1.036 164 T HN 1.299 nan 8.240 nan 0.000 0.544 165 G N 0.814 109.611 108.800 -0.005 0.000 2.331 165 G HA2 0.149 4.109 3.960 0.000 0.000 0.479 165 G HA3 0.149 4.109 3.960 0.000 0.000 0.479 165 G C -0.448 174.450 174.900 -0.002 0.000 1.262 165 G CA -0.465 44.631 45.100 -0.006 0.000 1.029 165 G HN 0.482 nan 8.290 nan 0.000 0.487 166 T N 0.293 114.844 114.554 -0.004 0.000 2.918 166 T HA 0.607 4.957 4.350 0.000 0.000 0.302 166 T C 1.215 175.913 174.700 -0.002 0.000 1.045 166 T CA 1.220 63.319 62.100 -0.002 0.000 1.114 166 T CB 0.093 68.958 68.868 -0.004 0.000 0.965 166 T HN 2.184 nan 8.240 nan 0.000 0.540 167 A N 4.359 127.180 122.820 0.002 0.000 2.587 167 A HA 0.306 4.626 4.320 0.000 0.000 0.233 167 A C 1.016 178.600 177.584 0.000 0.000 1.049 167 A CA 0.360 52.399 52.037 0.004 0.000 0.754 167 A CB -0.473 18.532 19.000 0.008 0.000 0.977 167 A HN 1.546 nan 8.150 nan 0.000 0.509 168 S N 2.036 117.737 115.700 0.000 0.000 3.225 168 S HA 0.044 4.514 4.470 0.000 0.000 0.378 168 S C -0.040 174.564 174.600 0.007 0.000 1.190 168 S CA 0.012 58.212 58.200 0.001 0.000 1.104 168 S CB -0.262 62.940 63.200 0.004 0.000 0.795 168 S HN 0.524 nan 8.310 nan 0.000 0.517 169 K N 3.241 123.644 120.400 0.004 0.000 2.416 169 K HA 0.530 4.850 4.320 0.000 0.000 0.283 169 K C 0.839 177.452 176.600 0.020 0.000 1.037 169 K CA 0.679 56.970 56.287 0.006 0.000 0.995 169 K CB 0.481 32.980 32.500 -0.001 0.000 0.938 169 K HN 0.796 nan 8.250 nan 0.000 0.475 170 G N 1.118 109.936 108.800 0.030 0.000 3.108 170 G HA2 0.311 4.271 3.960 0.000 0.000 0.268 170 G HA3 0.311 4.271 3.960 0.000 0.000 0.268 170 G C -0.123 174.833 174.900 0.094 0.000 1.361 170 G CA -0.654 44.488 45.100 0.069 0.000 1.047 170 G HN 0.511 nan 8.290 nan 0.000 0.540 171 F N 0.338 120.288 119.950 -0.000 0.000 2.094 171 F HA 0.129 4.656 4.527 0.000 0.000 0.291 171 F C 1.789 177.589 175.800 0.001 0.000 1.109 171 F CA 1.407 59.407 58.000 0.000 0.000 1.221 171 F CB -0.223 38.778 39.000 0.001 0.000 1.014 171 F HN 0.297 nan 8.300 nan 0.000 0.473 172 V N 0.000 119.974 119.914 0.101 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 -0.012 0.000 1.235 172 V CB 0.000 31.881 31.823 0.097 0.000 1.184 172 V HN 0.000 nan 8.190 nan 0.000 0.556