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 2eig_1_D DATA FIRST_RESID 1 DATA SEQUENCE VSFNYTRFKD DGSLIFQGDA KIWTDGRLAM PTDPLVNRTT SHALYATPVP DATA SEQUENCE IWDSATGNVA SFITSFSFIV SNVQRYPPTD GVVFFLAPWG TEIPPNSQGG DATA SEQUENCE YLGITDSSNS QNQFVAVEFD SHPNVWDPKS LRSSHIGIDV NSIMSLKAVN DATA SEQUENCE WNRVSGSLEK ATIIYDSDTK ILTVVMTHQN GQITTISQEI DLKTVLPEKV DATA SEQUENCE SVGFSATTWN PERERHDIYS WSFTSTLKEP 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.171 176.094 0.129 0.000 1.182 1 V CA 0.000 62.407 62.300 0.178 0.000 1.235 1 V CB 0.000 31.981 31.823 0.264 0.000 1.184 2 S N 5.203 120.953 115.700 0.084 0.000 2.672 2 S HA 0.950 5.417 4.470 -0.004 0.000 0.291 2 S C -1.139 173.471 174.600 0.017 0.000 1.145 2 S CA -0.439 57.739 58.200 -0.037 0.000 1.013 2 S CB 1.007 64.185 63.200 -0.036 0.000 1.017 2 S HN 1.273 nan 8.310 nan 0.000 0.487 3 F N 2.024 121.881 119.950 -0.154 0.000 2.685 3 F HA 0.816 5.341 4.527 -0.003 0.000 0.315 3 F C -0.923 174.750 175.800 -0.211 0.000 1.126 3 F CA -1.024 56.834 58.000 -0.238 0.000 0.950 3 F CB 1.359 40.145 39.000 -0.357 0.000 1.360 3 F HN 0.469 nan 8.300 nan 0.000 0.469 4 N N 1.055 119.740 118.700 -0.026 0.000 2.747 4 N HA 0.242 4.979 4.740 -0.004 0.000 0.262 4 N C -2.387 173.035 175.510 -0.146 0.000 1.261 4 N CA -0.594 52.434 53.050 -0.038 0.000 0.809 4 N CB 0.535 38.988 38.487 -0.057 0.000 1.450 4 N HN 0.700 nan 8.380 nan 0.000 0.560 5 Y N 1.132 121.470 120.300 0.064 0.000 2.425 5 Y HA 0.200 4.747 4.550 -0.004 0.000 0.347 5 Y C 1.931 177.775 175.900 -0.093 0.000 0.976 5 Y CA -0.456 57.580 58.100 -0.108 0.000 1.190 5 Y CB 1.343 39.542 38.460 -0.435 0.000 1.136 5 Y HN 0.477 nan 8.280 nan 0.000 0.517 6 T N 0.219 114.801 114.554 0.047 0.000 3.065 6 T HA 0.200 4.547 4.350 -0.004 0.000 0.252 6 T C 0.431 175.181 174.700 0.083 0.000 1.099 6 T CA -0.081 62.067 62.100 0.080 0.000 1.063 6 T CB -0.003 68.907 68.868 0.069 0.000 0.948 6 T HN 0.698 nan 8.240 nan 0.000 0.506 7 R N -0.821 119.697 120.500 0.029 0.000 2.747 7 R HA 0.632 4.969 4.340 -0.004 0.000 0.272 7 R C -1.926 174.372 176.300 -0.003 0.000 1.032 7 R CA -1.079 55.069 56.100 0.079 0.000 0.896 7 R CB 0.541 30.943 30.300 0.170 0.000 1.253 7 R HN 0.071 nan 8.270 nan 0.000 0.461 8 F N 1.113 121.245 119.950 0.304 0.000 2.427 8 F HA 0.515 5.040 4.527 -0.004 0.000 0.346 8 F C -0.106 175.842 175.800 0.246 0.000 1.120 8 F CA -0.483 57.705 58.000 0.313 0.000 1.033 8 F CB 1.957 41.105 39.000 0.245 0.000 1.126 8 F HN 0.427 nan 8.300 nan 0.000 0.462 9 K N 0.782 121.438 120.400 0.426 0.000 2.477 9 K HA 0.390 4.707 4.320 -0.004 0.000 0.255 9 K C -1.732 175.055 176.600 0.313 0.000 0.952 9 K CA -1.116 55.347 56.287 0.293 0.000 0.826 9 K CB 2.228 34.850 32.500 0.204 0.000 1.331 9 K HN 0.299 nan 8.250 nan 0.000 0.437 10 D N 2.221 122.765 120.400 0.239 0.000 2.342 10 D HA 0.023 4.660 4.640 -0.004 0.000 0.260 10 D C -0.577 175.837 176.300 0.190 0.000 1.278 10 D CA 0.327 54.470 54.000 0.237 0.000 0.910 10 D CB 0.562 41.464 40.800 0.171 0.000 1.079 10 D HN 0.685 nan 8.370 nan 0.000 0.496 11 D N 1.661 122.182 120.400 0.202 0.000 2.530 11 D HA 0.160 4.798 4.640 -0.004 0.000 0.253 11 D C 1.254 177.621 176.300 0.110 0.000 1.338 11 D CA 0.179 54.265 54.000 0.144 0.000 0.806 11 D CB -0.169 40.722 40.800 0.153 0.000 1.160 11 D HN 0.473 nan 8.370 nan 0.000 0.514 12 G N 0.605 109.473 108.800 0.114 0.000 2.176 12 G HA2 -0.344 3.614 3.960 -0.004 0.000 0.253 12 G HA3 -0.344 3.614 3.960 -0.004 0.000 0.253 12 G C 1.153 176.050 174.900 -0.004 0.000 0.979 12 G CA 0.825 45.956 45.100 0.052 0.000 0.641 12 G HN 0.837 nan 8.290 nan 0.000 0.530 13 S N -0.926 114.794 115.700 0.033 0.000 2.478 13 S HA 0.552 5.019 4.470 -0.004 0.000 0.222 13 S C 1.033 175.531 174.600 -0.170 0.000 1.008 13 S CA 0.400 58.570 58.200 -0.050 0.000 0.928 13 S CB 0.279 63.576 63.200 0.161 0.000 0.781 13 S HN 0.559 nan 8.310 nan 0.000 0.518 14 L N 0.855 122.002 121.223 -0.126 0.000 2.313 14 L HA 0.640 4.977 4.340 -0.004 0.000 0.268 14 L C -0.621 175.921 176.870 -0.547 0.000 1.010 14 L CA -1.050 53.574 54.840 -0.360 0.000 0.814 14 L CB 1.669 43.449 42.059 -0.466 0.000 1.304 14 L HN 0.128 nan 8.230 nan 0.000 0.441 15 I N 1.181 121.368 120.570 -0.638 0.000 2.439 15 I HA 0.314 4.481 4.170 -0.004 0.000 0.283 15 I C -1.106 174.655 176.117 -0.594 0.000 1.023 15 I CA -0.256 60.764 61.300 -0.466 0.000 1.100 15 I CB 1.423 39.280 38.000 -0.239 0.000 1.238 15 I HN 0.254 nan 8.210 nan 0.000 0.445 16 F N 4.806 124.759 119.950 0.006 0.000 2.399 16 F HA 0.561 5.085 4.527 -0.005 0.000 0.334 16 F C 0.389 176.185 175.800 -0.006 0.000 1.097 16 F CA -0.494 57.508 58.000 0.004 0.000 1.076 16 F CB 1.117 40.117 39.000 0.001 0.000 1.162 16 F HN 0.334 nan 8.300 nan 0.000 0.495 17 Q N 0.741 120.647 119.800 0.176 0.000 2.456 17 Q HA 0.562 4.899 4.340 -0.004 0.000 0.283 17 Q C 0.471 176.489 176.000 0.031 0.000 1.084 17 Q CA -0.652 55.183 55.803 0.054 0.000 0.801 17 Q CB 2.585 31.316 28.738 -0.012 0.000 1.434 17 Q HN 0.851 nan 8.270 nan 0.000 0.419 18 G N 1.972 110.749 108.800 -0.038 0.000 2.672 18 G HA2 -0.341 3.616 3.960 -0.004 0.000 0.324 18 G HA3 -0.341 3.616 3.960 -0.004 0.000 0.324 18 G C 0.008 174.897 174.900 -0.018 0.000 1.286 18 G CA 0.796 45.869 45.100 -0.044 0.000 1.004 18 G HN 0.781 nan 8.290 nan 0.000 0.548 19 D N 1.968 122.351 120.400 -0.028 0.000 2.368 19 D HA 0.447 5.085 4.640 -0.004 0.000 0.218 19 D C 1.217 177.473 176.300 -0.074 0.000 1.112 19 D CA 0.702 54.670 54.000 -0.055 0.000 0.834 19 D CB 0.104 40.864 40.800 -0.066 0.000 0.953 19 D HN 0.760 nan 8.370 nan 0.000 0.505 20 A N 1.109 123.912 122.820 -0.029 0.000 2.450 20 A HA 0.312 4.629 4.320 -0.004 0.000 0.255 20 A C 0.382 177.828 177.584 -0.230 0.000 1.096 20 A CA 0.313 52.310 52.037 -0.067 0.000 0.778 20 A CB 0.604 19.678 19.000 0.123 0.000 1.031 20 A HN 0.001 nan 8.150 nan 0.000 0.494 21 K N 2.160 122.351 120.400 -0.349 0.000 2.523 21 K HA 0.406 4.723 4.320 -0.004 0.000 0.257 21 K C -1.313 175.070 176.600 -0.363 0.000 0.932 21 K CA -0.818 55.225 56.287 -0.407 0.000 0.812 21 K CB 1.248 33.661 32.500 -0.145 0.000 1.326 21 K HN 0.559 nan 8.250 nan 0.000 0.433 22 I N 3.256 123.589 120.570 -0.396 0.000 2.347 22 I HA 0.088 4.255 4.170 -0.004 0.000 0.294 22 I C 0.233 176.437 176.117 0.145 0.000 1.090 22 I CA -0.128 61.104 61.300 -0.113 0.000 1.314 22 I CB -0.417 37.552 38.000 -0.051 0.000 1.423 22 I HN 0.495 nan 8.210 nan 0.000 0.503 23 W N 6.159 127.404 121.300 -0.091 0.000 2.375 23 W HA 0.206 4.864 4.660 -0.005 0.000 0.336 23 W C 0.310 176.845 176.519 0.027 0.000 1.160 23 W CA -0.410 56.915 57.345 -0.033 0.000 1.266 23 W CB 1.757 31.198 29.460 -0.033 0.000 1.195 23 W HN 0.434 nan 8.180 nan 0.000 0.599 24 T N 1.925 116.390 114.554 -0.148 0.000 2.698 24 T HA -0.023 4.325 4.350 -0.004 0.000 0.295 24 T C -0.063 174.688 174.700 0.084 0.000 1.007 24 T CA 0.362 62.443 62.100 -0.031 0.000 0.980 24 T CB 0.165 68.978 68.868 -0.091 0.000 1.036 24 T HN 0.561 nan 8.240 nan 0.000 0.526 25 D N -0.624 119.832 120.400 0.093 0.000 3.046 25 D HA -0.118 4.520 4.640 -0.004 0.000 0.210 25 D C 0.822 177.253 176.300 0.219 0.000 1.124 25 D CA 1.777 55.864 54.000 0.146 0.000 0.986 25 D CB -1.400 39.495 40.800 0.159 0.000 1.118 25 D HN 1.203 nan 8.370 nan 0.000 0.416 26 G N 0.541 109.476 108.800 0.226 0.000 2.246 26 G HA2 -0.386 3.571 3.960 -0.004 0.000 0.273 26 G HA3 -0.386 3.571 3.960 -0.004 0.000 0.273 26 G C 0.074 175.247 174.900 0.454 0.000 1.055 26 G CA 0.393 45.682 45.100 0.315 0.000 0.851 26 G HN 0.575 nan 8.290 nan 0.000 0.500 27 R N -0.211 120.500 120.500 0.352 0.000 2.297 27 R HA 0.535 4.872 4.340 -0.004 0.000 0.308 27 R C -0.163 176.175 176.300 0.062 0.000 1.029 27 R CA -1.014 55.252 56.100 0.277 0.000 0.929 27 R CB 0.654 31.115 30.300 0.268 0.000 1.046 27 R HN 0.384 nan 8.270 nan 0.000 0.461 28 L N 4.690 125.759 121.223 -0.257 0.000 2.334 28 L HA 0.339 4.676 4.340 -0.004 0.000 0.286 28 L C -0.731 175.915 176.870 -0.374 0.000 1.108 28 L CA -0.047 54.472 54.840 -0.535 0.000 0.875 28 L CB 0.530 41.851 42.059 -1.231 0.000 1.246 28 L HN 0.696 nan 8.230 nan 0.000 0.439 29 A N 7.132 129.796 122.820 -0.259 0.000 2.309 29 A HA 0.656 4.973 4.320 -0.004 0.000 0.290 29 A C -0.167 177.280 177.584 -0.228 0.000 1.206 29 A CA -0.332 51.556 52.037 -0.249 0.000 0.850 29 A CB -0.064 18.750 19.000 -0.310 0.000 1.118 29 A HN 0.764 nan 8.150 nan 0.000 0.523 30 M N 6.001 125.504 119.600 -0.161 0.000 1.960 30 M HA 0.278 4.755 4.480 -0.004 0.000 0.271 30 M C -2.784 173.562 176.300 0.077 0.000 0.862 30 M CA -1.405 53.851 55.300 -0.073 0.000 0.854 30 M CB 2.066 34.608 32.600 -0.097 0.000 1.575 30 M HN 0.439 nan 8.290 nan 0.000 0.375 31 P HA 0.174 nan 4.420 nan 0.000 0.281 31 P C 0.572 177.731 177.300 -0.235 0.000 1.264 31 P CA -0.236 62.797 63.100 -0.112 0.000 0.824 31 P CB 1.451 33.093 31.700 -0.096 0.000 1.092 32 T N -0.807 113.566 114.554 -0.302 0.000 2.737 32 T HA -0.176 4.171 4.350 -0.004 0.000 0.269 32 T C 0.297 174.641 174.700 -0.593 0.000 1.040 32 T CA 1.784 63.565 62.100 -0.533 0.000 1.142 32 T CB -0.809 67.775 68.868 -0.474 0.000 0.861 32 T HN 0.505 nan 8.240 nan 0.000 0.456 33 D N -0.080 120.104 120.400 -0.360 0.000 2.386 33 D HA 0.329 4.966 4.640 -0.004 0.000 0.247 33 D C -2.123 174.062 176.300 -0.192 0.000 1.336 33 D CA -2.149 51.681 54.000 -0.284 0.000 0.976 33 D CB 1.933 42.599 40.800 -0.223 0.000 1.257 33 D HN 0.044 nan 8.370 nan 0.000 0.570 34 P HA 0.016 nan 4.420 nan 0.000 0.233 34 P C 1.536 178.744 177.300 -0.153 0.000 1.167 34 P CA 0.181 63.193 63.100 -0.146 0.000 0.770 34 P CB 0.529 32.145 31.700 -0.140 0.000 0.837 35 L N -0.719 120.426 121.223 -0.130 0.000 2.275 35 L HA -0.026 4.311 4.340 -0.004 0.000 0.215 35 L C 0.975 177.759 176.870 -0.142 0.000 1.119 35 L CA 0.371 55.135 54.840 -0.127 0.000 0.790 35 L CB -0.617 41.409 42.059 -0.054 0.000 0.919 35 L HN -0.217 nan 8.230 nan 0.000 0.443 36 V N 2.395 122.231 119.914 -0.130 0.000 2.599 36 V HA -0.076 4.041 4.120 -0.004 0.000 0.300 36 V C 0.554 176.554 176.094 -0.157 0.000 1.034 36 V CA -0.344 61.879 62.300 -0.128 0.000 1.115 36 V CB 0.233 31.989 31.823 -0.111 0.000 0.934 36 V HN 0.442 nan 8.190 nan 0.000 0.485 37 N N 6.179 124.774 118.700 -0.175 0.000 2.530 37 N HA 0.108 4.845 4.740 -0.004 0.000 0.273 37 N C 0.224 175.612 175.510 -0.203 0.000 1.173 37 N CA -0.469 52.444 53.050 -0.228 0.000 0.967 37 N CB 0.323 38.651 38.487 -0.264 0.000 1.109 37 N HN 0.687 nan 8.380 nan 0.000 0.453 38 R N -0.840 119.534 120.500 -0.210 0.000 3.205 38 R HA -0.153 4.184 4.340 -0.004 0.000 0.249 38 R C -0.268 176.012 176.300 -0.032 0.000 0.937 38 R CA 0.953 56.987 56.100 -0.110 0.000 0.641 38 R CB -2.555 27.607 30.300 -0.231 0.000 1.114 38 R HN 0.929 nan 8.270 nan 0.000 0.451 39 T N -1.993 112.548 114.554 -0.022 0.000 2.926 39 T HA 0.334 4.681 4.350 -0.004 0.000 0.307 39 T C 0.413 175.124 174.700 0.017 0.000 1.059 39 T CA -0.186 61.904 62.100 -0.017 0.000 1.122 39 T CB 1.714 70.565 68.868 -0.028 0.000 0.972 39 T HN 0.208 nan 8.240 nan 0.000 0.545 40 T N 2.619 117.168 114.554 -0.009 0.000 2.928 40 T HA 0.568 4.915 4.350 -0.004 0.000 0.296 40 T C -0.833 173.857 174.700 -0.017 0.000 1.000 40 T CA -0.778 61.314 62.100 -0.013 0.000 0.989 40 T CB 1.538 70.373 68.868 -0.054 0.000 1.005 40 T HN 0.734 nan 8.240 nan 0.000 0.442 41 S N 2.335 118.056 115.700 0.036 0.000 2.538 41 S HA 0.553 5.020 4.470 -0.004 0.000 0.288 41 S C -1.108 173.634 174.600 0.236 0.000 1.108 41 S CA -0.836 57.409 58.200 0.075 0.000 0.971 41 S CB 1.231 64.446 63.200 0.026 0.000 1.041 41 S HN 0.705 nan 8.310 nan 0.000 0.483 42 H N 0.571 119.650 119.070 0.016 0.000 2.572 42 H HA 0.681 5.235 4.556 -0.004 0.000 0.359 42 H C -0.762 174.617 175.328 0.086 0.000 1.134 42 H CA -0.942 55.135 56.048 0.049 0.000 1.187 42 H CB 1.856 31.638 29.762 0.034 0.000 1.597 42 H HN 0.744 nan 8.280 nan 0.000 0.524 43 A N 4.863 127.762 122.820 0.132 0.000 2.499 43 A HA 0.436 4.754 4.320 -0.004 0.000 0.280 43 A C -1.243 176.312 177.584 -0.049 0.000 1.135 43 A CA -0.518 51.564 52.037 0.075 0.000 0.744 43 A CB 0.481 19.600 19.000 0.198 0.000 1.213 43 A HN 0.514 nan 8.150 nan 0.000 0.434 44 L N 1.899 123.043 121.223 -0.131 0.000 2.346 44 L HA 0.448 4.785 4.340 -0.004 0.000 0.274 44 L C -0.365 176.509 176.870 0.007 0.000 1.007 44 L CA -1.068 53.709 54.840 -0.105 0.000 0.818 44 L CB 1.763 43.715 42.059 -0.178 0.000 1.284 44 L HN 0.771 nan 8.230 nan 0.000 0.424 45 Y N 1.429 121.743 120.300 0.022 0.000 2.511 45 Y HA 0.110 4.658 4.550 -0.004 0.000 0.332 45 Y C 1.031 176.914 175.900 -0.029 0.000 1.177 45 Y CA 0.138 58.160 58.100 -0.130 0.000 1.422 45 Y CB 1.518 39.748 38.460 -0.384 0.000 1.271 45 Y HN 0.692 nan 8.280 nan 0.000 0.550 46 A N 3.746 126.195 122.820 -0.619 0.000 2.209 46 A HA 0.085 4.403 4.320 -0.004 0.000 0.212 46 A C 0.746 178.232 177.584 -0.164 0.000 1.158 46 A CA 1.073 52.942 52.037 -0.280 0.000 0.742 46 A CB -0.957 17.872 19.000 -0.286 0.000 0.790 46 A HN 0.735 nan 8.150 nan 0.000 0.472 47 T N -3.076 111.196 114.554 -0.470 0.000 2.908 47 T HA 0.601 4.948 4.350 -0.004 0.000 0.290 47 T C -3.342 170.950 174.700 -0.681 0.000 1.034 47 T CA -2.472 59.308 62.100 -0.532 0.000 1.010 47 T CB 1.739 70.376 68.868 -0.385 0.000 1.068 47 T HN -0.114 nan 8.240 nan 0.000 0.481 48 P HA 0.268 nan 4.420 nan 0.000 0.268 48 P C -0.742 176.354 177.300 -0.341 0.000 1.204 48 P CA -0.437 62.083 63.100 -0.965 0.000 0.768 48 P CB 0.367 31.442 31.700 -1.043 0.000 0.842 49 V N 6.270 126.094 119.914 -0.149 0.000 2.364 49 V HA 0.241 4.358 4.120 -0.004 0.000 0.272 49 V C -1.952 174.115 176.094 -0.044 0.000 1.036 49 V CA -1.913 60.358 62.300 -0.048 0.000 0.880 49 V CB 0.983 32.790 31.823 -0.027 0.000 0.991 49 V HN 0.529 nan 8.190 nan 0.000 0.460 50 P HA 0.179 nan 4.420 nan 0.000 0.271 50 P C 0.581 177.906 177.300 0.042 0.000 1.233 50 P CA 0.147 63.218 63.100 -0.048 0.000 0.764 50 P CB 0.594 32.266 31.700 -0.048 0.000 0.825 51 I N 0.979 121.574 120.570 0.043 0.000 3.939 51 I HA 0.361 4.529 4.170 -0.004 0.000 0.313 51 I C 0.437 176.742 176.117 0.314 0.000 1.274 51 I CA -0.042 61.372 61.300 0.190 0.000 1.301 51 I CB 0.013 38.141 38.000 0.213 0.000 1.105 51 I HN 0.213 nan 8.210 nan 0.000 0.427 52 W N 1.076 122.417 121.300 0.068 0.000 3.018 52 W HA 0.674 5.331 4.660 -0.005 0.000 0.352 52 W C -2.159 174.388 176.519 0.045 0.000 1.230 52 W CA -1.083 56.300 57.345 0.064 0.000 1.162 52 W CB 0.866 30.364 29.460 0.063 0.000 1.483 52 W HN -0.142 nan 8.180 nan 0.000 0.584 53 D N 0.099 120.725 120.400 0.377 0.000 2.686 53 D HA 0.287 4.924 4.640 -0.004 0.000 0.249 53 D C 1.007 177.527 176.300 0.366 0.000 1.260 53 D CA -0.178 53.929 54.000 0.180 0.000 0.910 53 D CB 2.267 43.141 40.800 0.123 0.000 1.323 53 D HN 0.364 nan 8.370 nan 0.000 0.561 54 S N 2.660 118.508 115.700 0.246 0.000 2.368 54 S HA -0.202 4.266 4.470 -0.004 0.000 0.225 54 S C 2.120 176.848 174.600 0.214 0.000 1.030 54 S CA 0.890 59.307 58.200 0.363 0.000 0.999 54 S CB -0.357 62.964 63.200 0.202 0.000 0.844 54 S HN 0.498 nan 8.310 nan 0.000 0.459 55 A N 2.050 124.948 122.820 0.129 0.000 1.933 55 A HA -0.042 4.276 4.320 -0.004 0.000 0.218 55 A C 2.535 180.171 177.584 0.087 0.000 1.175 55 A CA 2.191 54.280 52.037 0.088 0.000 0.628 55 A CB -1.351 17.683 19.000 0.056 0.000 0.814 55 A HN 0.799 nan 8.150 nan 0.000 0.444 56 T N -5.367 109.250 114.554 0.106 0.000 3.040 56 T HA 0.405 4.752 4.350 -0.004 0.000 0.252 56 T C 1.620 176.375 174.700 0.093 0.000 1.064 56 T CA 1.119 63.272 62.100 0.088 0.000 1.110 56 T CB 0.099 69.017 68.868 0.084 0.000 0.921 56 T HN 1.665 nan 8.240 nan 0.000 0.480 57 G N 1.926 110.808 108.800 0.136 0.000 2.184 57 G HA2 -0.288 3.669 3.960 -0.004 0.000 0.264 57 G HA3 -0.288 3.669 3.960 -0.004 0.000 0.264 57 G C -0.013 174.951 174.900 0.106 0.000 0.975 57 G CA 0.096 45.255 45.100 0.098 0.000 0.642 57 G HN 0.693 nan 8.290 nan 0.000 0.536 58 N N -0.191 118.592 118.700 0.140 0.000 2.454 58 N HA 0.367 5.104 4.740 -0.004 0.000 0.254 58 N C -0.067 175.571 175.510 0.214 0.000 1.228 58 N CA 0.314 53.448 53.050 0.140 0.000 0.900 58 N CB 1.122 39.680 38.487 0.118 0.000 1.089 58 N HN 0.128 nan 8.380 nan 0.000 0.449 59 V N 1.162 121.194 119.914 0.196 0.000 2.715 59 V HA 0.522 4.640 4.120 -0.004 0.000 0.310 59 V C 0.245 176.499 176.094 0.266 0.000 1.054 59 V CA -0.950 61.514 62.300 0.274 0.000 0.928 59 V CB 1.603 33.583 31.823 0.261 0.000 1.007 59 V HN 0.766 nan 8.190 nan 0.000 0.437 60 A N 2.936 125.940 122.820 0.308 0.000 2.386 60 A HA 0.651 4.968 4.320 -0.004 0.000 0.248 60 A C 0.368 178.176 177.584 0.372 0.000 1.082 60 A CA -0.025 52.188 52.037 0.294 0.000 0.789 60 A CB 0.319 19.503 19.000 0.307 0.000 1.025 60 A HN 0.776 nan 8.150 nan 0.000 0.490 61 S N -0.295 115.561 115.700 0.259 0.000 2.578 61 S HA 0.836 5.304 4.470 -0.004 0.000 0.301 61 S C -0.781 173.937 174.600 0.196 0.000 1.091 61 S CA -0.275 58.034 58.200 0.182 0.000 1.032 61 S CB 0.990 64.198 63.200 0.015 0.000 1.064 61 S HN 0.919 nan 8.310 nan 0.000 0.508 62 F N 0.173 120.164 119.950 0.068 0.000 2.686 62 F HA 0.800 5.324 4.527 -0.004 0.000 0.311 62 F C -1.439 174.248 175.800 -0.188 0.000 1.128 62 F CA -1.330 56.562 58.000 -0.179 0.000 0.946 62 F CB 0.919 39.736 39.000 -0.306 0.000 1.336 62 F HN 0.532 nan 8.300 nan 0.000 0.457 63 I N 1.140 121.653 120.570 -0.095 0.000 2.686 63 I HA 0.723 4.890 4.170 -0.004 0.000 0.295 63 I C -1.540 174.530 176.117 -0.079 0.000 1.114 63 I CA -0.197 61.068 61.300 -0.059 0.000 1.038 63 I CB 2.290 40.226 38.000 -0.107 0.000 1.238 63 I HN 1.003 nan 8.210 nan 0.000 0.420 64 T N 4.198 118.809 114.554 0.095 0.000 2.903 64 T HA 0.744 5.091 4.350 -0.004 0.000 0.299 64 T C -1.302 173.515 174.700 0.195 0.000 1.093 64 T CA -0.334 61.872 62.100 0.176 0.000 1.002 64 T CB 1.341 70.456 68.868 0.411 0.000 1.127 64 T HN 0.768 nan 8.240 nan 0.000 0.488 65 S N 2.483 118.375 115.700 0.319 0.000 2.546 65 S HA 0.904 5.371 4.470 -0.004 0.000 0.274 65 S C -1.270 173.644 174.600 0.524 0.000 1.121 65 S CA -0.912 57.418 58.200 0.217 0.000 0.887 65 S CB 1.331 64.589 63.200 0.097 0.000 1.094 65 S HN 0.890 nan 8.310 nan 0.000 0.474 66 F N -1.096 119.090 119.950 0.394 0.000 2.641 66 F HA 0.848 5.373 4.527 -0.004 0.000 0.308 66 F C -0.608 175.421 175.800 0.382 0.000 1.105 66 F CA -0.948 57.327 58.000 0.458 0.000 0.964 66 F CB 1.296 40.589 39.000 0.487 0.000 1.294 66 F HN 0.734 nan 8.300 nan 0.000 0.442 67 S N 2.627 118.660 115.700 0.555 0.000 2.482 67 S HA 0.924 5.391 4.470 -0.004 0.000 0.303 67 S C -1.078 173.879 174.600 0.595 0.000 1.091 67 S CA -0.508 57.961 58.200 0.449 0.000 1.057 67 S CB 1.607 65.005 63.200 0.330 0.000 1.031 67 S HN 1.328 nan 8.310 nan 0.000 0.485 68 F N -0.128 120.000 119.950 0.296 0.000 2.741 68 F HA 0.818 5.342 4.527 -0.005 0.000 0.313 68 F C -1.989 173.961 175.800 0.251 0.000 1.153 68 F CA -1.458 56.618 58.000 0.127 0.000 0.931 68 F CB 1.004 39.981 39.000 -0.037 0.000 1.335 68 F HN 0.549 nan 8.300 nan 0.000 0.460 69 I N 2.864 123.562 120.570 0.213 0.000 2.607 69 I HA 0.502 4.669 4.170 -0.004 0.000 0.290 69 I C -0.966 175.312 176.117 0.267 0.000 1.129 69 I CA -1.301 60.109 61.300 0.183 0.000 1.042 69 I CB 2.345 40.574 38.000 0.382 0.000 1.242 69 I HN 0.774 nan 8.210 nan 0.000 0.421 70 V N 2.247 122.339 119.914 0.297 0.000 2.532 70 V HA 0.739 4.856 4.120 -0.004 0.000 0.295 70 V C -0.137 176.017 176.094 0.100 0.000 1.041 70 V CA -0.128 62.322 62.300 0.251 0.000 0.926 70 V CB 1.616 33.700 31.823 0.436 0.000 0.992 70 V HN 0.703 nan 8.190 nan 0.000 0.457 71 S N 3.458 119.165 115.700 0.012 0.000 2.614 71 S HA 0.463 4.930 4.470 -0.004 0.000 0.288 71 S C -0.339 174.245 174.600 -0.028 0.000 1.137 71 S CA -0.732 57.468 58.200 -0.000 0.000 0.992 71 S CB 1.015 64.223 63.200 0.013 0.000 1.026 71 S HN 0.980 nan 8.310 nan 0.000 0.486 72 N N 0.926 119.619 118.700 -0.012 0.000 2.374 72 N HA 0.256 4.993 4.740 -0.004 0.000 0.241 72 N C -0.955 174.565 175.510 0.017 0.000 1.262 72 N CA 0.089 53.140 53.050 0.002 0.000 0.880 72 N CB 0.443 38.930 38.487 0.001 0.000 1.105 72 N HN 0.220 nan 8.380 nan 0.000 0.438 73 V N 1.462 121.414 119.914 0.062 0.000 2.623 73 V HA 0.100 4.217 4.120 -0.004 0.000 0.304 73 V C 0.612 176.824 176.094 0.196 0.000 1.054 73 V CA -0.679 61.690 62.300 0.114 0.000 0.882 73 V CB 1.676 33.584 31.823 0.143 0.000 1.002 73 V HN 0.747 nan 8.190 nan 0.000 0.424 74 Q N 3.869 123.684 119.800 0.024 0.000 2.084 74 Q HA 0.018 4.355 4.340 -0.004 0.000 0.194 74 Q C 0.990 176.931 176.000 -0.100 0.000 0.969 74 Q CA 0.759 56.534 55.803 -0.047 0.000 0.829 74 Q CB 0.179 28.861 28.738 -0.093 0.000 0.904 74 Q HN 0.738 nan 8.270 nan 0.000 0.464 75 R N -0.437 119.920 120.500 -0.239 0.000 2.432 75 R HA 0.250 4.588 4.340 -0.004 0.000 0.260 75 R C -0.292 175.899 176.300 -0.182 0.000 0.935 75 R CA -0.176 55.804 56.100 -0.201 0.000 1.080 75 R CB -0.402 29.767 30.300 -0.219 0.000 1.155 75 R HN 0.157 nan 8.270 nan 0.000 0.531 76 Y N 2.629 122.920 120.300 -0.014 0.000 2.397 76 Y HA 0.173 4.720 4.550 -0.005 0.000 0.335 76 Y C -1.493 174.406 175.900 -0.001 0.000 1.213 76 Y CA -2.354 55.740 58.100 -0.009 0.000 1.391 76 Y CB 0.202 38.652 38.460 -0.016 0.000 1.293 76 Y HN -0.018 nan 8.280 nan 0.000 0.557 77 P HA 0.084 nan 4.420 nan 0.000 0.275 77 P C -2.718 174.651 177.300 0.116 0.000 1.228 77 P CA -1.729 61.445 63.100 0.123 0.000 0.786 77 P CB 0.568 32.345 31.700 0.128 0.000 0.927 78 P HA 0.179 nan 4.420 nan 0.000 0.280 78 P C -0.436 176.931 177.300 0.112 0.000 1.244 78 P CA 0.268 63.416 63.100 0.080 0.000 0.784 78 P CB 0.796 32.523 31.700 0.046 0.000 0.913 79 T N -1.347 113.264 114.554 0.095 0.000 2.769 79 T HA 0.300 4.647 4.350 -0.004 0.000 0.306 79 T C -0.101 174.719 174.700 0.201 0.000 1.400 79 T CA -0.516 61.656 62.100 0.119 0.000 1.007 79 T CB 1.577 70.403 68.868 -0.071 0.000 1.392 79 T HN 0.196 nan 8.240 nan 0.000 0.500 80 D N -0.138 120.412 120.400 0.251 0.000 2.490 80 D HA 0.294 4.931 4.640 -0.004 0.000 0.244 80 D C 1.303 177.718 176.300 0.192 0.000 0.979 80 D CA 1.263 55.367 54.000 0.174 0.000 0.924 80 D CB 0.855 41.707 40.800 0.087 0.000 1.075 80 D HN 0.800 nan 8.370 nan 0.000 0.488 81 G N 0.243 109.127 108.800 0.141 0.000 3.125 81 G HA2 0.274 4.231 3.960 -0.004 0.000 0.136 81 G HA3 0.274 4.231 3.960 -0.004 0.000 0.136 81 G C -0.981 173.576 174.900 -0.573 0.000 1.411 81 G CA 0.188 45.338 45.100 0.084 0.000 1.130 81 G HN 0.128 nan 8.290 nan 0.000 0.701 82 V N 1.136 120.864 119.914 -0.310 0.000 2.760 82 V HA 0.722 4.840 4.120 -0.004 0.000 0.309 82 V C -0.939 175.136 176.094 -0.033 0.000 1.077 82 V CA -0.440 61.661 62.300 -0.331 0.000 0.910 82 V CB 1.757 33.318 31.823 -0.436 0.000 1.008 82 V HN 1.141 nan 8.190 nan 0.000 0.424 83 V N 4.392 124.284 119.914 -0.036 0.000 2.914 83 V HA 0.728 4.846 4.120 -0.004 0.000 0.314 83 V C -1.047 175.144 176.094 0.161 0.000 1.084 83 V CA -0.830 61.531 62.300 0.102 0.000 0.963 83 V CB 1.852 33.660 31.823 -0.026 0.000 1.025 83 V HN 0.896 nan 8.190 nan 0.000 0.432 84 F N 6.454 126.459 119.950 0.092 0.000 2.408 84 F HA 0.853 5.377 4.527 -0.003 0.000 0.344 84 F C -0.632 175.239 175.800 0.119 0.000 1.112 84 F CA -0.956 56.957 58.000 -0.144 0.000 1.096 84 F CB 1.133 40.089 39.000 -0.074 0.000 1.129 84 F HN 0.761 nan 8.300 nan 0.000 0.486 85 F N 4.853 124.158 119.950 -1.074 0.000 2.668 85 F HA 0.739 5.264 4.527 -0.004 0.000 0.309 85 F C -2.531 172.871 175.800 -0.663 0.000 1.117 85 F CA -1.465 56.185 58.000 -0.583 0.000 0.951 85 F CB 1.054 39.878 39.000 -0.293 0.000 1.323 85 F HN 0.215 nan 8.300 nan 0.000 0.451 86 L N 3.091 124.103 121.223 -0.351 0.000 2.313 86 L HA 0.889 5.227 4.340 -0.004 0.000 0.283 86 L C -0.271 176.554 176.870 -0.074 0.000 1.013 86 L CA -0.683 53.960 54.840 -0.328 0.000 0.816 86 L CB 1.375 43.374 42.059 -0.100 0.000 1.236 86 L HN 1.000 nan 8.230 nan 0.000 0.419 87 A N 4.183 126.904 122.820 -0.165 0.000 2.498 87 A HA 0.906 5.223 4.320 -0.004 0.000 0.298 87 A C -2.781 174.824 177.584 0.036 0.000 1.075 87 A CA -1.781 50.298 52.037 0.070 0.000 0.714 87 A CB 1.344 20.477 19.000 0.222 0.000 1.299 87 A HN 0.471 nan 8.150 nan 0.000 0.407 88 P HA -0.111 nan 4.420 nan 0.000 0.259 88 P C -0.339 177.003 177.300 0.071 0.000 1.155 88 P CA 0.484 63.638 63.100 0.090 0.000 0.759 88 P CB 0.262 32.011 31.700 0.082 0.000 0.753 89 W N 4.214 125.482 121.300 -0.053 0.000 2.322 89 W HA 0.244 4.901 4.660 -0.004 0.000 0.328 89 W C 1.008 177.502 176.519 -0.040 0.000 1.395 89 W CA 1.663 58.969 57.345 -0.065 0.000 1.267 89 W CB 0.227 29.640 29.460 -0.079 0.000 1.259 89 W HN 0.799 nan 8.180 nan 0.000 0.560 90 G N 3.157 111.644 108.800 -0.521 0.000 2.278 90 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.210 90 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.210 90 G C 0.286 175.059 174.900 -0.211 0.000 1.000 90 G CA -0.055 44.874 45.100 -0.286 0.000 0.635 90 G HN 0.521 nan 8.290 nan 0.000 0.495 91 T N 1.709 116.162 114.554 -0.168 0.000 2.902 91 T HA 0.458 4.805 4.350 -0.004 0.000 0.301 91 T C 0.403 175.035 174.700 -0.113 0.000 1.012 91 T CA 0.923 62.972 62.100 -0.084 0.000 1.151 91 T CB 1.611 70.486 68.868 0.012 0.000 0.946 91 T HN 0.463 nan 8.240 nan 0.000 0.542 92 E N 1.751 121.898 120.200 -0.088 0.000 2.446 92 E HA 0.462 4.810 4.350 -0.004 0.000 0.251 92 E C 0.106 176.651 176.600 -0.092 0.000 1.087 92 E CA -0.905 55.434 56.400 -0.102 0.000 0.937 92 E CB 0.625 30.252 29.700 -0.121 0.000 1.254 92 E HN 0.531 nan 8.360 nan 0.000 0.479 93 I N 3.327 123.746 120.570 -0.252 0.000 2.943 93 I HA -0.025 4.143 4.170 -0.004 0.000 0.296 93 I C -1.856 174.154 176.117 -0.178 0.000 1.220 93 I CA -0.936 60.144 61.300 -0.366 0.000 1.409 93 I CB -0.230 37.478 38.000 -0.486 0.000 1.374 93 I HN 0.303 nan 8.210 nan 0.000 0.545 94 P HA 0.188 nan 4.420 nan 0.000 0.272 94 P C -2.411 174.823 177.300 -0.110 0.000 1.230 94 P CA -1.213 61.824 63.100 -0.105 0.000 0.788 94 P CB -0.114 31.524 31.700 -0.103 0.000 0.949 95 P HA 0.031 nan 4.420 nan 0.000 0.274 95 P C -0.360 176.872 177.300 -0.113 0.000 1.231 95 P CA 0.077 63.123 63.100 -0.090 0.000 0.790 95 P CB 0.187 31.842 31.700 -0.076 0.000 0.951 96 N N -0.562 118.079 118.700 -0.099 0.000 2.735 96 N HA -0.148 4.590 4.740 -0.004 0.000 0.248 96 N C 0.374 175.760 175.510 -0.206 0.000 1.083 96 N CA 1.352 54.318 53.050 -0.139 0.000 0.703 96 N CB -2.315 36.056 38.487 -0.193 0.000 1.005 96 N HN 0.622 nan 8.380 nan 0.000 0.550 97 S N -2.496 113.145 115.700 -0.098 0.000 2.629 97 S HA 0.113 4.580 4.470 -0.004 0.000 0.236 97 S C 0.526 175.171 174.600 0.076 0.000 1.010 97 S CA -0.537 57.632 58.200 -0.052 0.000 0.981 97 S CB 0.802 63.940 63.200 -0.102 0.000 0.919 97 S HN 0.290 nan 8.310 nan 0.000 0.514 98 Q N 1.019 120.898 119.800 0.131 0.000 2.443 98 Q HA 0.498 4.835 4.340 -0.004 0.000 0.232 98 Q C 1.301 177.435 176.000 0.223 0.000 1.026 98 Q CA 0.301 56.230 55.803 0.210 0.000 0.924 98 Q CB 0.341 29.281 28.738 0.335 0.000 1.256 98 Q HN 0.482 nan 8.270 nan 0.000 0.519 99 G N 0.683 109.627 108.800 0.240 0.000 2.591 99 G HA2 -0.393 3.564 3.960 -0.004 0.000 0.298 99 G HA3 -0.393 3.564 3.960 -0.004 0.000 0.298 99 G C 0.792 175.676 174.900 -0.026 0.000 1.195 99 G CA 0.015 45.145 45.100 0.050 0.000 0.989 99 G HN 0.860 nan 8.290 nan 0.000 0.551 100 G N -1.110 107.606 108.800 -0.139 0.000 2.559 100 G HA2 0.129 4.086 3.960 -0.004 0.000 0.216 100 G HA3 0.129 4.086 3.960 -0.004 0.000 0.216 100 G C 1.318 176.200 174.900 -0.030 0.000 1.126 100 G CA 1.611 46.720 45.100 0.013 0.000 0.778 100 G HN 0.633 nan 8.290 nan 0.000 0.543 101 Y N -0.464 119.877 120.300 0.069 0.000 2.529 101 Y HA 0.340 4.887 4.550 -0.005 0.000 0.290 101 Y C 1.718 177.537 175.900 -0.136 0.000 1.177 101 Y CA -0.363 57.681 58.100 -0.094 0.000 1.305 101 Y CB 0.073 38.433 38.460 -0.166 0.000 1.047 101 Y HN 0.016 nan 8.280 nan 0.000 0.522 102 L N -0.793 120.430 121.223 -0.000 0.000 4.813 102 L HA -0.358 3.979 4.340 -0.004 0.000 0.434 102 L C 1.440 178.211 176.870 -0.165 0.000 1.106 102 L CA 0.812 55.597 54.840 -0.092 0.000 0.991 102 L CB -1.840 40.146 42.059 -0.122 0.000 2.005 102 L HN 0.481 nan 8.230 nan 0.000 0.817 103 G N 0.041 108.774 108.800 -0.112 0.000 2.143 103 G HA2 -0.328 3.629 3.960 -0.004 0.000 0.249 103 G HA3 -0.328 3.629 3.960 -0.004 0.000 0.249 103 G C 0.498 175.292 174.900 -0.177 0.000 0.981 103 G CA 0.643 45.692 45.100 -0.086 0.000 0.665 103 G HN 0.830 nan 8.290 nan 0.000 0.528 104 I N -4.472 115.863 120.570 -0.392 0.000 4.624 104 I HA 0.442 4.609 4.170 -0.004 0.000 0.327 104 I C 0.380 176.128 176.117 -0.615 0.000 1.295 104 I CA 0.193 61.081 61.300 -0.687 0.000 1.267 104 I CB 1.021 38.330 38.000 -1.152 0.000 1.249 104 I HN -0.030 nan 8.210 nan 0.000 0.440 105 T N 2.093 116.419 114.554 -0.380 0.000 2.812 105 T HA 0.290 4.637 4.350 -0.004 0.000 0.282 105 T C -1.184 173.394 174.700 -0.204 0.000 0.990 105 T CA -0.168 61.796 62.100 -0.226 0.000 0.960 105 T CB 1.937 70.754 68.868 -0.085 0.000 0.948 105 T HN 0.172 nan 8.240 nan 0.000 0.438 106 D N 2.200 122.483 120.400 -0.196 0.000 2.428 106 D HA 0.442 5.080 4.640 -0.004 0.000 0.221 106 D C 0.941 177.070 176.300 -0.286 0.000 1.123 106 D CA 0.343 54.187 54.000 -0.261 0.000 0.869 106 D CB 0.208 40.914 40.800 -0.156 0.000 1.032 106 D HN 0.458 nan 8.370 nan 0.000 0.506 107 S N 2.870 118.279 115.700 -0.485 0.000 1.540 107 S HA -0.241 4.226 4.470 -0.004 0.000 0.243 107 S C 0.420 174.776 174.600 -0.406 0.000 0.778 107 S CA 1.561 59.260 58.200 -0.835 0.000 1.286 107 S CB -1.676 60.999 63.200 -0.874 0.000 1.546 107 S HN 1.184 nan 8.310 nan 0.000 0.513 108 S N 0.533 116.082 115.700 -0.252 0.000 2.586 108 S HA 0.363 4.830 4.470 -0.004 0.000 0.218 108 S C -0.661 173.880 174.600 -0.098 0.000 0.761 108 S CA -0.147 57.964 58.200 -0.148 0.000 0.999 108 S CB -0.406 62.719 63.200 -0.126 0.000 1.634 108 S HN 0.494 nan 8.310 nan 0.000 0.482 109 N N 2.772 121.422 118.700 -0.083 0.000 1.920 109 N HA -0.008 4.730 4.740 -0.004 0.000 0.307 109 N C 1.196 176.672 175.510 -0.058 0.000 1.305 109 N CA 1.404 54.419 53.050 -0.059 0.000 0.800 109 N CB 0.110 38.572 38.487 -0.040 0.000 1.035 109 N HN 0.547 nan 8.380 nan 0.000 0.498 110 S N 1.362 117.041 115.700 -0.036 0.000 4.157 110 S HA -0.343 4.124 4.470 -0.004 0.000 0.538 110 S C 0.942 175.542 174.600 -0.001 0.000 1.476 110 S CA 2.270 60.460 58.200 -0.017 0.000 3.851 110 S CB -0.571 62.620 63.200 -0.014 0.000 1.659 110 S HN 0.822 nan 8.310 nan 0.000 0.454 111 Q N 0.838 120.646 119.800 0.013 0.000 1.906 111 Q HA 0.435 4.773 4.340 -0.004 0.000 0.199 111 Q C -1.348 174.670 176.000 0.030 0.000 0.816 111 Q CA 0.168 55.978 55.803 0.011 0.000 0.951 111 Q CB 0.554 29.291 28.738 -0.000 0.000 1.246 111 Q HN 0.519 nan 8.270 nan 0.000 0.407 112 N N 0.389 119.127 118.700 0.062 0.000 4.924 112 N HA 0.027 4.764 4.740 -0.004 0.000 0.141 112 N C -2.080 173.543 175.510 0.189 0.000 1.288 112 N CA 0.048 53.177 53.050 0.132 0.000 1.069 112 N CB -0.026 38.533 38.487 0.121 0.000 1.664 112 N HN 0.234 nan 8.380 nan 0.000 0.902 113 Q N 2.162 122.118 119.800 0.259 0.000 2.315 113 Q HA 0.702 5.039 4.340 -0.004 0.000 0.273 113 Q C -1.669 174.519 176.000 0.314 0.000 1.053 113 Q CA -0.787 55.120 55.803 0.173 0.000 0.817 113 Q CB 2.232 31.031 28.738 0.101 0.000 1.326 113 Q HN 0.443 nan 8.270 nan 0.000 0.423 114 F N 0.913 120.916 119.950 0.089 0.000 2.449 114 F HA 0.069 4.593 4.527 -0.005 0.000 0.275 114 F C -2.750 173.106 175.800 0.094 0.000 0.856 114 F CA -0.852 57.214 58.000 0.110 0.000 0.955 114 F CB -1.031 38.048 39.000 0.132 0.000 1.867 114 F HN 0.205 nan 8.300 nan 0.000 0.656 115 V N 5.163 125.197 119.914 0.200 0.000 2.448 115 V HA 0.980 5.097 4.120 -0.004 0.000 0.295 115 V C 0.178 176.496 176.094 0.375 0.000 1.025 115 V CA -0.058 62.338 62.300 0.160 0.000 0.859 115 V CB 1.307 33.199 31.823 0.116 0.000 0.988 115 V HN 1.379 nan 8.190 nan 0.000 0.431 116 A N 4.227 127.284 122.820 0.395 0.000 2.435 116 A HA 0.894 5.211 4.320 -0.004 0.000 0.304 116 A C -1.140 176.618 177.584 0.290 0.000 1.064 116 A CA -0.601 51.664 52.037 0.380 0.000 0.727 116 A CB 2.144 21.362 19.000 0.364 0.000 1.284 116 A HN 0.625 nan 8.150 nan 0.000 0.415 117 V N 2.848 122.946 119.914 0.307 0.000 2.313 117 V HA 0.324 4.441 4.120 -0.004 0.000 0.278 117 V C 0.056 176.168 176.094 0.031 0.000 1.017 117 V CA -0.373 62.031 62.300 0.172 0.000 0.823 117 V CB 0.798 32.778 31.823 0.262 0.000 1.010 117 V HN 0.989 nan 8.190 nan 0.000 0.443 118 E N 4.258 124.398 120.200 -0.100 0.000 2.266 118 E HA 0.545 4.892 4.350 -0.004 0.000 0.277 118 E C -1.450 174.872 176.600 -0.464 0.000 1.018 118 E CA -0.637 55.685 56.400 -0.130 0.000 0.840 118 E CB 1.312 31.007 29.700 -0.007 0.000 1.082 118 E HN 0.434 nan 8.360 nan 0.000 0.395 119 F N 2.092 121.966 119.950 -0.127 0.000 2.310 119 F HA 0.207 4.731 4.527 -0.005 0.000 0.365 119 F C -0.150 175.671 175.800 0.034 0.000 1.080 119 F CA -0.945 56.877 58.000 -0.296 0.000 1.187 119 F CB 0.924 39.606 39.000 -0.529 0.000 1.465 119 F HN 0.449 nan 8.300 nan 0.000 0.496 120 D N 1.322 121.782 120.400 0.099 0.000 2.359 120 D HA 0.117 4.754 4.640 -0.004 0.000 0.230 120 D C 0.894 177.299 176.300 0.174 0.000 1.118 120 D CA 0.043 54.043 54.000 -0.001 0.000 0.844 120 D CB 1.399 41.902 40.800 -0.496 0.000 1.059 120 D HN 0.435 nan 8.370 nan 0.000 0.493 121 S N 2.739 118.619 115.700 0.299 0.000 2.556 121 S HA -0.001 4.466 4.470 -0.004 0.000 0.216 121 S C 0.648 175.338 174.600 0.151 0.000 0.970 121 S CA -0.148 58.174 58.200 0.205 0.000 0.912 121 S CB 0.009 63.348 63.200 0.232 0.000 0.790 121 S HN 0.599 nan 8.310 nan 0.000 0.504 122 H N 1.797 120.891 119.070 0.040 0.000 2.744 122 H HA 0.405 4.958 4.556 -0.005 0.000 0.339 122 H C -3.447 171.866 175.328 -0.025 0.000 1.004 122 H CA -1.900 54.146 56.048 -0.003 0.000 1.257 122 H CB 2.200 31.949 29.762 -0.022 0.000 1.552 122 H HN 0.018 nan 8.280 nan 0.000 0.522 123 P HA 0.130 nan 4.420 nan 0.000 0.274 123 P C -0.561 176.351 177.300 -0.647 0.000 1.291 123 P CA 0.036 62.884 63.100 -0.420 0.000 0.815 123 P CB 0.255 31.767 31.700 -0.314 0.000 0.897 124 N N 1.058 119.377 118.700 -0.635 0.000 2.418 124 N HA 0.171 4.908 4.740 -0.004 0.000 0.283 124 N C 1.278 176.260 175.510 -0.879 0.000 1.267 124 N CA -0.732 51.738 53.050 -0.968 0.000 0.975 124 N CB 0.414 37.791 38.487 -1.849 0.000 1.167 124 N HN 0.019 nan 8.380 nan 0.000 0.581 125 V N 0.104 119.481 119.914 -0.895 0.000 2.667 125 V HA -0.066 4.052 4.120 -0.004 0.000 0.252 125 V C 0.533 176.497 176.094 -0.216 0.000 1.065 125 V CA 1.408 63.480 62.300 -0.380 0.000 1.083 125 V CB -0.480 31.251 31.823 -0.154 0.000 0.692 125 V HN 0.839 nan 8.190 nan 0.000 0.468 126 W N -0.539 120.724 121.300 -0.062 0.000 3.290 126 W HA 0.414 5.072 4.660 -0.005 0.000 0.287 126 W C 0.358 176.842 176.519 -0.058 0.000 1.288 126 W CA -1.063 56.254 57.345 -0.047 0.000 1.725 126 W CB -0.659 28.779 29.460 -0.036 0.000 1.103 126 W HN 0.074 nan 8.180 nan 0.000 0.670 127 D N 1.721 121.979 120.400 -0.236 0.000 2.354 127 D HA 0.139 4.776 4.640 -0.004 0.000 0.247 127 D C -2.239 173.941 176.300 -0.200 0.000 1.138 127 D CA -2.038 51.855 54.000 -0.178 0.000 0.958 127 D CB 0.477 41.130 40.800 -0.245 0.000 1.144 127 D HN -0.308 nan 8.370 nan 0.000 0.458 128 P HA -0.024 nan 4.420 nan 0.000 0.253 128 P C -0.041 177.168 177.300 -0.151 0.000 1.170 128 P CA 0.452 63.428 63.100 -0.208 0.000 0.806 128 P CB 0.055 31.595 31.700 -0.267 0.000 0.775 129 K N 1.244 121.589 120.400 -0.092 0.000 2.630 129 K HA 0.094 4.412 4.320 -0.004 0.000 0.204 129 K C 0.575 177.140 176.600 -0.059 0.000 1.024 129 K CA 0.021 56.263 56.287 -0.074 0.000 1.157 129 K CB -0.012 32.464 32.500 -0.040 0.000 0.899 129 K HN 0.446 nan 8.250 nan 0.000 0.501 130 S N 0.872 116.532 115.700 -0.066 0.000 2.640 130 S HA 0.129 4.597 4.470 -0.004 0.000 0.262 130 S C 0.122 174.691 174.600 -0.052 0.000 1.232 130 S CA -0.625 57.547 58.200 -0.046 0.000 0.988 130 S CB 0.681 63.856 63.200 -0.042 0.000 1.034 130 S HN 0.201 nan 8.310 nan 0.000 0.569 131 L N 2.206 123.407 121.223 -0.036 0.000 2.422 131 L HA 0.312 4.650 4.340 -0.004 0.000 0.256 131 L C -0.286 176.571 176.870 -0.022 0.000 1.202 131 L CA 0.246 55.064 54.840 -0.036 0.000 1.119 131 L CB -0.862 41.180 42.059 -0.029 0.000 1.383 131 L HN 0.520 nan 8.230 nan 0.000 0.411 132 R N 1.307 121.788 120.500 -0.031 0.000 2.368 132 R HA 0.310 4.648 4.340 -0.004 0.000 0.302 132 R C 0.351 176.660 176.300 0.015 0.000 1.002 132 R CA -0.272 55.833 56.100 0.007 0.000 0.929 132 R CB 2.047 32.337 30.300 -0.017 0.000 1.073 132 R HN 0.493 nan 8.270 nan 0.000 0.464 133 S N 0.524 116.252 115.700 0.047 0.000 2.582 133 S HA 0.099 4.566 4.470 -0.004 0.000 0.159 133 S C 0.200 174.914 174.600 0.188 0.000 0.918 133 S CA -0.042 58.182 58.200 0.040 0.000 1.287 133 S CB 0.190 63.377 63.200 -0.021 0.000 0.667 133 S HN 0.560 nan 8.310 nan 0.000 0.462 134 S N 2.026 117.794 115.700 0.112 0.000 2.572 134 S HA 0.291 4.759 4.470 -0.004 0.000 0.279 134 S C -0.377 174.480 174.600 0.427 0.000 1.341 134 S CA -0.190 58.114 58.200 0.172 0.000 1.043 134 S CB -0.040 63.057 63.200 -0.171 0.000 0.887 134 S HN 0.696 nan 8.310 nan 0.000 0.516 135 H N -0.460 118.912 119.070 0.503 0.000 3.042 135 H HA 0.473 5.026 4.556 -0.005 0.000 0.346 135 H C -1.731 173.761 175.328 0.274 0.000 1.294 135 H CA -1.050 55.216 56.048 0.364 0.000 1.141 135 H CB 0.348 30.220 29.762 0.183 0.000 1.872 135 H HN 0.429 nan 8.280 nan 0.000 0.541 136 I N 1.485 122.172 120.570 0.194 0.000 2.355 136 I HA 0.505 4.672 4.170 -0.004 0.000 0.288 136 I C 0.436 176.556 176.117 0.006 0.000 0.999 136 I CA -0.318 60.902 61.300 -0.133 0.000 1.163 136 I CB 1.733 39.597 38.000 -0.226 0.000 1.316 136 I HN 0.752 nan 8.210 nan 0.000 0.454 137 G N 6.574 115.367 108.800 -0.012 0.000 2.481 137 G HA2 0.782 4.739 3.960 -0.004 0.000 0.315 137 G HA3 0.782 4.739 3.960 -0.004 0.000 0.315 137 G C -0.939 173.983 174.900 0.035 0.000 1.231 137 G CA -0.577 44.575 45.100 0.087 0.000 0.968 137 G HN 0.442 nan 8.290 nan 0.000 0.482 138 I N 1.475 122.088 120.570 0.071 0.000 2.354 138 I HA 0.273 4.440 4.170 -0.004 0.000 0.292 138 I C -0.983 175.200 176.117 0.110 0.000 0.989 138 I CA -0.770 60.587 61.300 0.095 0.000 1.188 138 I CB 1.877 39.930 38.000 0.089 0.000 1.342 138 I HN 0.233 nan 8.210 nan 0.000 0.457 139 D N 6.260 126.750 120.400 0.151 0.000 2.256 139 D HA 0.453 5.090 4.640 -0.004 0.000 0.246 139 D C -0.640 175.646 176.300 -0.023 0.000 1.042 139 D CA -0.237 53.852 54.000 0.148 0.000 0.841 139 D CB 2.803 43.838 40.800 0.392 0.000 1.223 139 D HN 0.041 nan 8.370 nan 0.000 0.470 140 V N 2.648 122.462 119.914 -0.166 0.000 2.398 140 V HA 0.250 4.367 4.120 -0.004 0.000 0.282 140 V C 0.279 176.086 176.094 -0.479 0.000 1.014 140 V CA -0.834 61.269 62.300 -0.328 0.000 0.838 140 V CB 0.399 32.139 31.823 -0.139 0.000 1.018 140 V HN 0.718 nan 8.190 nan 0.000 0.432 141 N N 1.764 119.826 118.700 -1.064 0.000 2.782 141 N HA -0.181 4.556 4.740 -0.004 0.000 0.251 141 N C 0.006 175.360 175.510 -0.259 0.000 1.101 141 N CA 1.042 53.688 53.050 -0.672 0.000 0.764 141 N CB -0.449 37.864 38.487 -0.290 0.000 1.122 141 N HN 0.685 nan 8.380 nan 0.000 0.561 142 S N -0.830 114.778 115.700 -0.154 0.000 2.563 142 S HA 0.360 4.827 4.470 -0.004 0.000 0.279 142 S C 0.286 175.037 174.600 0.252 0.000 1.155 142 S CA -0.750 57.504 58.200 0.090 0.000 0.928 142 S CB 1.082 64.285 63.200 0.005 0.000 1.107 142 S HN 0.173 nan 8.310 nan 0.000 0.462 143 I N 4.141 124.817 120.570 0.176 0.000 2.657 143 I HA 0.083 4.250 4.170 -0.004 0.000 0.261 143 I C 0.706 176.851 176.117 0.045 0.000 1.212 143 I CA 1.409 62.734 61.300 0.042 0.000 1.453 143 I CB -0.254 37.595 38.000 -0.252 0.000 1.092 143 I HN 0.672 nan 8.210 nan 0.000 0.452 144 M N 0.692 120.320 119.600 0.046 0.000 2.111 144 M HA 0.186 4.663 4.480 -0.004 0.000 0.351 144 M C 0.519 176.882 176.300 0.105 0.000 1.214 144 M CA -0.159 55.210 55.300 0.114 0.000 1.120 144 M CB 0.368 33.019 32.600 0.086 0.000 1.443 144 M HN -0.107 nan 8.290 nan 0.000 0.429 145 S N 3.089 118.870 115.700 0.134 0.000 2.558 145 S HA 0.080 4.548 4.470 -0.004 0.000 0.288 145 S C 1.381 176.024 174.600 0.071 0.000 1.318 145 S CA -0.289 57.979 58.200 0.113 0.000 1.056 145 S CB 0.682 63.961 63.200 0.131 0.000 0.853 145 S HN 0.658 nan 8.310 nan 0.000 0.505 146 L N 1.259 122.515 121.223 0.055 0.000 2.240 146 L HA 0.152 4.490 4.340 -0.004 0.000 0.211 146 L C 1.144 178.036 176.870 0.038 0.000 1.106 146 L CA 1.024 55.886 54.840 0.037 0.000 0.793 146 L CB -0.186 41.888 42.059 0.024 0.000 0.927 146 L HN 0.537 nan 8.230 nan 0.000 0.446 147 K N -0.576 119.852 120.400 0.048 0.000 2.512 147 K HA 0.740 5.057 4.320 -0.004 0.000 0.263 147 K C -1.808 174.827 176.600 0.057 0.000 0.966 147 K CA -0.521 55.792 56.287 0.044 0.000 0.851 147 K CB 2.734 35.257 32.500 0.039 0.000 1.395 147 K HN -0.093 nan 8.250 nan 0.000 0.440 148 A N 1.023 123.875 122.820 0.053 0.000 2.604 148 A HA 0.620 4.937 4.320 -0.004 0.000 0.295 148 A C -1.537 176.096 177.584 0.080 0.000 1.067 148 A CA -0.633 51.451 52.037 0.079 0.000 0.683 148 A CB 1.255 20.302 19.000 0.077 0.000 1.281 148 A HN 0.555 nan 8.150 nan 0.000 0.407 149 V N -0.042 119.945 119.914 0.121 0.000 2.914 149 V HA 0.750 4.867 4.120 -0.004 0.000 0.314 149 V C -0.230 175.988 176.094 0.207 0.000 1.084 149 V CA -1.074 61.305 62.300 0.132 0.000 0.963 149 V CB 1.907 33.802 31.823 0.120 0.000 1.025 149 V HN 1.197 nan 8.190 nan 0.000 0.432 150 N N 1.431 120.244 118.700 0.190 0.000 2.441 150 N HA 0.101 4.839 4.740 -0.004 0.000 0.251 150 N C -1.014 174.696 175.510 0.333 0.000 1.242 150 N CA -0.080 53.110 53.050 0.233 0.000 0.898 150 N CB 0.819 39.394 38.487 0.145 0.000 1.100 150 N HN 1.068 nan 8.380 nan 0.000 0.443 151 W N 2.298 123.662 121.300 0.108 0.000 2.554 151 W HA 0.360 5.017 4.660 -0.004 0.000 0.324 151 W C -0.917 175.608 176.519 0.010 0.000 1.018 151 W CA -1.599 55.793 57.345 0.078 0.000 1.243 151 W CB 0.356 29.906 29.460 0.149 0.000 1.345 151 W HN 0.621 nan 8.180 nan 0.000 0.441 152 N N 5.090 123.782 118.700 -0.013 0.000 2.671 152 N HA 0.038 4.775 4.740 -0.004 0.000 0.274 152 N C 0.045 175.242 175.510 -0.522 0.000 1.188 152 N CA 0.035 52.952 53.050 -0.222 0.000 1.065 152 N CB 0.123 38.530 38.487 -0.133 0.000 1.415 152 N HN 0.462 nan 8.380 nan 0.000 0.511 153 R N 2.664 122.621 120.500 -0.904 0.000 2.421 153 R HA 0.169 4.506 4.340 -0.004 0.000 0.305 153 R C -1.090 174.929 176.300 -0.467 0.000 1.039 153 R CA -0.052 55.370 56.100 -1.130 0.000 1.003 153 R CB 0.275 29.827 30.300 -1.246 0.000 0.959 153 R HN 0.182 nan 8.270 nan 0.000 0.427 154 V N 3.942 123.692 119.914 -0.272 0.000 2.444 154 V HA 0.121 4.238 4.120 -0.004 0.000 0.294 154 V C 0.133 176.185 176.094 -0.070 0.000 1.022 154 V CA -0.700 61.522 62.300 -0.131 0.000 0.850 154 V CB 1.668 33.449 31.823 -0.071 0.000 0.992 154 V HN 0.846 nan 8.190 nan 0.000 0.426 155 S N 3.821 119.485 115.700 -0.059 0.000 2.537 155 S HA 0.387 4.854 4.470 -0.004 0.000 0.286 155 S C 1.433 176.038 174.600 0.010 0.000 1.299 155 S CA 0.994 59.182 58.200 -0.020 0.000 1.067 155 S CB 0.122 63.309 63.200 -0.023 0.000 0.864 155 S HN 1.957 nan 8.310 nan 0.000 0.494 156 G N 3.263 112.088 108.800 0.041 0.000 2.189 156 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.267 156 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.267 156 G C 0.301 175.236 174.900 0.058 0.000 0.975 156 G CA 0.539 45.676 45.100 0.062 0.000 0.644 156 G HN 1.111 nan 8.290 nan 0.000 0.537 157 S N -0.074 115.651 115.700 0.042 0.000 2.523 157 S HA 0.564 5.031 4.470 -0.004 0.000 0.275 157 S C 0.440 175.051 174.600 0.018 0.000 1.281 157 S CA -0.558 57.659 58.200 0.029 0.000 1.050 157 S CB 0.767 63.983 63.200 0.027 0.000 0.937 157 S HN 1.043 nan 8.310 nan 0.000 0.492 158 L N 5.502 126.728 121.223 0.006 0.000 2.462 158 L HA 0.365 4.702 4.340 -0.004 0.000 0.272 158 L C -0.155 176.671 176.870 -0.072 0.000 1.166 158 L CA 0.888 55.717 54.840 -0.018 0.000 0.880 158 L CB 0.338 42.386 42.059 -0.018 0.000 1.142 158 L HN 0.592 nan 8.230 nan 0.000 0.473 159 E N 5.416 125.454 120.200 -0.270 0.000 2.187 159 E HA 0.363 4.710 4.350 -0.004 0.000 0.268 159 E C -0.963 175.491 176.600 -0.245 0.000 0.896 159 E CA -0.571 55.622 56.400 -0.345 0.000 0.766 159 E CB 1.646 30.814 29.700 -0.887 0.000 1.142 159 E HN 0.462 nan 8.360 nan 0.000 0.408 160 K N 1.307 121.657 120.400 -0.084 0.000 2.449 160 K HA 0.566 4.883 4.320 -0.004 0.000 0.257 160 K C -0.737 175.816 176.600 -0.078 0.000 0.989 160 K CA -0.590 55.674 56.287 -0.038 0.000 0.916 160 K CB 1.870 34.363 32.500 -0.011 0.000 1.136 160 K HN 0.436 nan 8.250 nan 0.000 0.439 161 A N 2.472 125.173 122.820 -0.198 0.000 2.290 161 A HA 0.544 4.861 4.320 -0.004 0.000 0.310 161 A C -0.340 177.045 177.584 -0.332 0.000 1.202 161 A CA -0.325 51.522 52.037 -0.317 0.000 0.837 161 A CB 0.766 19.358 19.000 -0.679 0.000 1.139 161 A HN 0.539 nan 8.150 nan 0.000 0.509 162 T N 2.644 117.107 114.554 -0.152 0.000 2.848 162 T HA 0.600 4.948 4.350 -0.004 0.000 0.285 162 T C -0.558 174.119 174.700 -0.037 0.000 0.995 162 T CA 0.001 62.048 62.100 -0.088 0.000 0.970 162 T CB 0.763 69.602 68.868 -0.049 0.000 0.976 162 T HN 0.459 nan 8.240 nan 0.000 0.441 163 I N 3.505 124.076 120.570 0.002 0.000 2.466 163 I HA 0.530 4.697 4.170 -0.004 0.000 0.289 163 I C -0.775 175.351 176.117 0.015 0.000 1.026 163 I CA -0.817 60.516 61.300 0.055 0.000 1.078 163 I CB 1.799 39.886 38.000 0.145 0.000 1.249 163 I HN 0.457 nan 8.210 nan 0.000 0.429 164 I N 5.896 126.431 120.570 -0.059 0.000 2.465 164 I HA 0.294 4.461 4.170 -0.004 0.000 0.291 164 I C -1.277 174.679 176.117 -0.268 0.000 1.014 164 I CA -0.845 60.345 61.300 -0.183 0.000 1.093 164 I CB 1.948 39.861 38.000 -0.145 0.000 1.267 164 I HN 0.453 nan 8.210 nan 0.000 0.431 165 Y N 5.319 125.179 120.300 -0.733 0.000 2.342 165 Y HA 0.360 4.908 4.550 -0.004 0.000 0.338 165 Y C -0.578 175.087 175.900 -0.391 0.000 0.965 165 Y CA -0.818 56.900 58.100 -0.637 0.000 1.159 165 Y CB 1.148 38.978 38.460 -1.049 0.000 1.157 165 Y HN 0.526 nan 8.280 nan 0.000 0.486 166 D N 3.267 123.177 120.400 -0.817 0.000 2.412 166 D HA 0.154 4.791 4.640 -0.004 0.000 0.224 166 D C 0.811 176.636 176.300 -0.792 0.000 1.093 166 D CA 0.077 53.730 54.000 -0.577 0.000 0.850 166 D CB 1.221 41.805 40.800 -0.360 0.000 1.046 166 D HN 0.565 nan 8.370 nan 0.000 0.507 167 S N 2.568 117.993 115.700 -0.460 0.000 2.382 167 S HA -0.237 4.230 4.470 -0.004 0.000 0.228 167 S C 1.676 176.193 174.600 -0.138 0.000 1.027 167 S CA 1.244 59.336 58.200 -0.179 0.000 0.991 167 S CB -0.335 62.937 63.200 0.118 0.000 0.823 167 S HN 0.605 nan 8.310 nan 0.000 0.469 168 D N 2.160 122.484 120.400 -0.128 0.000 2.116 168 D HA -0.172 4.465 4.640 -0.004 0.000 0.193 168 D C 2.002 178.241 176.300 -0.102 0.000 0.998 168 D CA 2.431 56.377 54.000 -0.089 0.000 0.836 168 D CB -0.342 40.412 40.800 -0.078 0.000 0.951 168 D HN 0.679 nan 8.370 nan 0.000 0.449 169 T N -4.062 110.401 114.554 -0.153 0.000 3.069 169 T HA 0.185 4.532 4.350 -0.004 0.000 0.252 169 T C 0.530 175.140 174.700 -0.150 0.000 1.053 169 T CA -0.273 61.749 62.100 -0.130 0.000 0.964 169 T CB 0.251 69.046 68.868 -0.121 0.000 1.005 169 T HN -0.032 nan 8.240 nan 0.000 0.532 170 K N 0.346 120.601 120.400 -0.242 0.000 3.167 170 K HA -0.093 4.224 4.320 -0.004 0.000 0.272 170 K C -0.522 175.955 176.600 -0.204 0.000 1.137 170 K CA 0.264 56.428 56.287 -0.205 0.000 0.800 170 K CB -2.622 29.877 32.500 -0.002 0.000 1.253 170 K HN 0.605 nan 8.250 nan 0.000 0.497 171 I N 0.797 121.144 120.570 -0.372 0.000 2.377 171 I HA 0.263 4.431 4.170 -0.004 0.000 0.293 171 I C 0.206 176.206 176.117 -0.196 0.000 0.987 171 I CA -1.119 60.066 61.300 -0.192 0.000 1.185 171 I CB 1.260 39.177 38.000 -0.139 0.000 1.341 171 I HN 0.008 nan 8.210 nan 0.000 0.455 172 L N 6.795 128.062 121.223 0.072 0.000 2.272 172 L HA 0.558 4.895 4.340 -0.004 0.000 0.289 172 L C -0.486 176.421 176.870 0.061 0.000 1.032 172 L CA 0.496 55.431 54.840 0.160 0.000 0.810 172 L CB 1.108 43.337 42.059 0.284 0.000 1.205 172 L HN 0.563 nan 8.230 nan 0.000 0.422 173 T N 4.138 118.702 114.554 0.017 0.000 2.861 173 T HA 0.686 5.033 4.350 -0.004 0.000 0.287 173 T C -0.912 173.801 174.700 0.021 0.000 1.003 173 T CA -0.503 61.601 62.100 0.007 0.000 0.977 173 T CB 1.814 70.663 68.868 -0.030 0.000 0.996 173 T HN 0.283 nan 8.240 nan 0.000 0.448 174 V N 2.644 122.575 119.914 0.028 0.000 2.604 174 V HA 0.736 4.853 4.120 -0.004 0.000 0.305 174 V C -0.518 175.585 176.094 0.015 0.000 1.043 174 V CA -0.798 61.523 62.300 0.034 0.000 0.888 174 V CB 1.966 33.814 31.823 0.042 0.000 0.995 174 V HN 0.680 nan 8.190 nan 0.000 0.429 175 V N 6.175 126.092 119.914 0.004 0.000 2.656 175 V HA 0.714 4.832 4.120 -0.004 0.000 0.307 175 V C -0.901 175.183 176.094 -0.017 0.000 1.051 175 V CA -0.528 61.765 62.300 -0.013 0.000 0.893 175 V CB 2.108 33.912 31.823 -0.032 0.000 0.999 175 V HN 0.949 nan 8.190 nan 0.000 0.426 176 M N 4.592 124.167 119.600 -0.042 0.000 2.142 176 M HA 0.442 4.920 4.480 -0.004 0.000 0.299 176 M C -0.380 175.716 176.300 -0.340 0.000 0.960 176 M CA -0.035 55.229 55.300 -0.060 0.000 0.920 176 M CB 1.926 34.631 32.600 0.175 0.000 1.541 176 M HN 0.447 nan 8.290 nan 0.000 0.429 177 T N 2.213 116.629 114.554 -0.230 0.000 2.728 177 T HA 0.355 4.702 4.350 -0.004 0.000 0.296 177 T C -0.262 174.334 174.700 -0.173 0.000 0.940 177 T CA -0.371 61.578 62.100 -0.252 0.000 1.013 177 T CB -0.110 68.692 68.868 -0.110 0.000 0.912 177 T HN 0.538 nan 8.240 nan 0.000 0.484 178 H N 1.614 120.720 119.070 0.059 0.000 2.505 178 H HA 0.187 4.741 4.556 -0.004 0.000 0.355 178 H C 1.259 176.610 175.328 0.038 0.000 1.179 178 H CA -0.937 55.151 56.048 0.067 0.000 1.343 178 H CB 0.844 30.674 29.762 0.113 0.000 1.501 178 H HN 0.386 nan 8.280 nan 0.000 0.569 179 Q N 1.449 121.347 119.800 0.163 0.000 2.135 179 Q HA -0.199 4.139 4.340 -0.004 0.000 0.204 179 Q C 1.302 177.347 176.000 0.076 0.000 0.981 179 Q CA 2.099 57.951 55.803 0.082 0.000 0.856 179 Q CB -0.297 28.475 28.738 0.056 0.000 0.902 179 Q HN 0.830 nan 8.270 nan 0.000 0.425 180 N N -1.629 117.131 118.700 0.101 0.000 2.609 180 N HA -0.044 4.693 4.740 -0.004 0.000 0.190 180 N C 0.775 176.332 175.510 0.079 0.000 1.157 180 N CA 0.559 53.658 53.050 0.082 0.000 0.918 180 N CB -0.092 38.444 38.487 0.082 0.000 0.978 180 N HN 0.297 nan 8.380 nan 0.000 0.448 181 G N -0.253 108.593 108.800 0.077 0.000 2.143 181 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.249 181 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.249 181 G C -0.285 174.646 174.900 0.051 0.000 0.981 181 G CA 0.073 45.201 45.100 0.048 0.000 0.665 181 G HN 0.529 nan 8.290 nan 0.000 0.528 182 Q N -0.725 119.132 119.800 0.096 0.000 2.204 182 Q HA 0.733 5.071 4.340 -0.004 0.000 0.254 182 Q C 0.107 176.096 176.000 -0.017 0.000 0.981 182 Q CA -0.651 55.215 55.803 0.106 0.000 0.897 182 Q CB 1.480 30.350 28.738 0.220 0.000 1.273 182 Q HN 0.542 nan 8.270 nan 0.000 0.464 183 I N -1.603 118.941 120.570 -0.045 0.000 2.689 183 I HA 0.500 4.667 4.170 -0.004 0.000 0.299 183 I C -0.448 175.649 176.117 -0.035 0.000 1.059 183 I CA -0.683 60.504 61.300 -0.188 0.000 1.055 183 I CB 2.215 40.157 38.000 -0.096 0.000 1.243 183 I HN 0.285 nan 8.210 nan 0.000 0.425 184 T N 2.440 116.968 114.554 -0.043 0.000 2.829 184 T HA 0.746 5.093 4.350 -0.004 0.000 0.280 184 T C -0.285 174.447 174.700 0.054 0.000 0.999 184 T CA -0.630 61.545 62.100 0.125 0.000 0.983 184 T CB 1.597 70.661 68.868 0.325 0.000 0.968 184 T HN 0.889 nan 8.240 nan 0.000 0.446 185 T N 0.694 115.282 114.554 0.057 0.000 2.906 185 T HA 0.837 5.184 4.350 -0.004 0.000 0.295 185 T C -0.771 173.953 174.700 0.040 0.000 1.061 185 T CA -0.858 61.262 62.100 0.034 0.000 1.000 185 T CB 1.610 70.489 68.868 0.018 0.000 1.103 185 T HN 0.651 nan 8.240 nan 0.000 0.486 186 I N 0.602 121.190 120.570 0.030 0.000 2.842 186 I HA 0.612 4.780 4.170 -0.004 0.000 0.297 186 I C -1.595 174.540 176.117 0.029 0.000 1.380 186 I CA -0.454 60.865 61.300 0.032 0.000 1.018 186 I CB 2.222 40.243 38.000 0.035 0.000 1.311 186 I HN 0.905 nan 8.210 nan 0.000 0.439 187 S N 4.312 120.029 115.700 0.029 0.000 2.627 187 S HA 0.710 5.178 4.470 -0.004 0.000 0.283 187 S C -1.454 173.168 174.600 0.036 0.000 1.127 187 S CA -0.591 57.627 58.200 0.029 0.000 0.863 187 S CB 2.200 65.406 63.200 0.009 0.000 1.121 187 S HN 0.604 nan 8.310 nan 0.000 0.479 188 Q N 1.273 121.101 119.800 0.047 0.000 2.295 188 Q HA 0.305 4.642 4.340 -0.004 0.000 0.268 188 Q C -1.595 174.438 176.000 0.054 0.000 1.010 188 Q CA -0.397 55.436 55.803 0.050 0.000 0.856 188 Q CB 1.583 30.361 28.738 0.066 0.000 1.349 188 Q HN 0.687 nan 8.270 nan 0.000 0.412 189 E N 4.604 124.825 120.200 0.035 0.000 2.265 189 E HA 0.355 4.702 4.350 -0.004 0.000 0.272 189 E C -1.007 175.634 176.600 0.068 0.000 1.067 189 E CA 0.023 56.444 56.400 0.036 0.000 0.900 189 E CB 0.287 29.992 29.700 0.009 0.000 1.017 189 E HN 0.588 nan 8.360 nan 0.000 0.431 190 I N 3.576 124.227 120.570 0.135 0.000 2.534 190 I HA 0.170 4.337 4.170 -0.004 0.000 0.288 190 I C -0.593 175.656 176.117 0.221 0.000 1.077 190 I CA -1.051 60.338 61.300 0.149 0.000 1.051 190 I CB 1.875 39.962 38.000 0.145 0.000 1.234 190 I HN 0.394 nan 8.210 nan 0.000 0.425 191 D N 6.205 126.676 120.400 0.119 0.000 2.339 191 D HA 0.269 4.906 4.640 -0.004 0.000 0.241 191 D C 0.898 177.238 176.300 0.066 0.000 1.183 191 D CA -0.074 53.995 54.000 0.116 0.000 0.859 191 D CB 1.276 42.086 40.800 0.017 0.000 1.067 191 D HN 0.509 nan 8.370 nan 0.000 0.484 192 L N 3.518 124.796 121.223 0.093 0.000 2.083 192 L HA -0.145 4.192 4.340 -0.004 0.000 0.209 192 L C 2.382 179.236 176.870 -0.028 0.000 1.083 192 L CA 0.879 55.723 54.840 0.007 0.000 0.752 192 L CB -0.269 41.762 42.059 -0.046 0.000 0.899 192 L HN 0.445 nan 8.230 nan 0.000 0.433 193 K N 0.045 120.304 120.400 -0.235 0.000 2.152 193 K HA -0.176 4.142 4.320 -0.004 0.000 0.206 193 K C 2.058 178.384 176.600 -0.458 0.000 1.048 193 K CA 1.869 57.688 56.287 -0.780 0.000 0.933 193 K CB -0.003 31.986 32.500 -0.853 0.000 0.721 193 K HN 0.470 nan 8.250 nan 0.000 0.447 194 T N -2.295 112.128 114.554 -0.218 0.000 2.995 194 T HA -0.056 4.292 4.350 -0.004 0.000 0.269 194 T C 1.620 176.281 174.700 -0.065 0.000 1.091 194 T CA 1.049 63.070 62.100 -0.131 0.000 1.128 194 T CB 0.128 68.948 68.868 -0.080 0.000 0.891 194 T HN 0.131 nan 8.240 nan 0.000 0.492 195 V N -2.982 116.915 119.914 -0.029 0.000 3.451 195 V HA 0.576 4.694 4.120 -0.004 0.000 0.288 195 V C -0.023 176.103 176.094 0.055 0.000 1.502 195 V CA -0.609 61.691 62.300 -0.001 0.000 1.026 195 V CB -0.154 31.650 31.823 -0.032 0.000 0.840 195 V HN 0.336 nan 8.190 nan 0.000 0.437 196 L N 1.648 122.950 121.223 0.131 0.000 2.393 196 L HA 0.653 4.990 4.340 -0.004 0.000 0.260 196 L C -2.598 174.533 176.870 0.434 0.000 1.002 196 L CA -1.985 52.983 54.840 0.214 0.000 0.818 196 L CB 3.211 45.380 42.059 0.184 0.000 1.369 196 L HN -0.077 nan 8.230 nan 0.000 0.412 197 P HA 0.064 nan 4.420 nan 0.000 0.275 197 P C -0.205 177.076 177.300 -0.032 0.000 1.266 197 P CA -0.284 62.976 63.100 0.266 0.000 0.793 197 P CB 0.442 32.196 31.700 0.090 0.000 1.074 198 E N -0.137 119.604 120.200 -0.764 0.000 2.268 198 E HA -0.073 4.274 4.350 -0.004 0.000 0.195 198 E C 0.060 176.346 176.600 -0.523 0.000 0.995 198 E CA 0.914 56.484 56.400 -1.383 0.000 0.836 198 E CB -0.155 28.524 29.700 -1.702 0.000 0.763 198 E HN 0.373 nan 8.360 nan 0.000 0.491 199 K N 1.431 121.665 120.400 -0.275 0.000 2.426 199 K HA 0.389 4.707 4.320 -0.004 0.000 0.254 199 K C -0.807 175.798 176.600 0.008 0.000 0.936 199 K CA -0.638 55.567 56.287 -0.137 0.000 0.801 199 K CB 2.768 35.162 32.500 -0.175 0.000 1.139 199 K HN 0.014 nan 8.250 nan 0.000 0.424 200 V N -1.115 118.820 119.914 0.036 0.000 3.074 200 V HA 0.607 4.725 4.120 -0.004 0.000 0.314 200 V C -0.001 176.205 176.094 0.188 0.000 1.117 200 V CA -0.994 61.370 62.300 0.105 0.000 1.014 200 V CB 1.694 33.529 31.823 0.020 0.000 1.057 200 V HN 0.812 nan 8.190 nan 0.000 0.438 201 S N 1.250 117.070 115.700 0.201 0.000 2.617 201 S HA 0.810 5.277 4.470 -0.004 0.000 0.269 201 S C -0.077 174.354 174.600 -0.283 0.000 1.292 201 S CA -0.002 58.268 58.200 0.116 0.000 1.010 201 S CB 1.283 64.406 63.200 -0.129 0.000 0.944 201 S HN 2.189 nan 8.310 nan 0.000 0.536 202 V N -1.382 118.352 119.914 -0.301 0.000 2.914 202 V HA 1.042 5.159 4.120 -0.004 0.000 0.314 202 V C 0.364 176.175 176.094 -0.473 0.000 1.084 202 V CA 0.177 62.148 62.300 -0.549 0.000 0.963 202 V CB 0.906 32.464 31.823 -0.442 0.000 1.025 202 V HN 1.701 nan 8.190 nan 0.000 0.432 203 G N 1.857 110.057 108.800 -1.000 0.000 2.332 203 G HA2 0.358 4.316 3.960 -0.004 0.000 0.265 203 G HA3 0.358 4.316 3.960 -0.004 0.000 0.265 203 G C -1.760 172.322 174.900 -1.363 0.000 1.329 203 G CA -0.485 43.945 45.100 -1.116 0.000 0.949 203 G HN 1.002 nan 8.290 nan 0.000 0.476 204 F N 0.277 119.962 119.950 -0.441 0.000 2.546 204 F HA 0.828 5.352 4.527 -0.005 0.000 0.320 204 F C 0.520 176.219 175.800 -0.169 0.000 1.076 204 F CA -0.683 57.137 58.000 -0.301 0.000 0.928 204 F CB 2.636 41.348 39.000 -0.479 0.000 1.189 204 F HN 0.540 nan 8.300 nan 0.000 0.465 205 S N 1.371 117.010 115.700 -0.103 0.000 2.557 205 S HA 0.903 5.370 4.470 -0.004 0.000 0.291 205 S C -1.282 173.193 174.600 -0.209 0.000 1.116 205 S CA -0.338 57.684 58.200 -0.296 0.000 0.992 205 S CB 1.204 63.895 63.200 -0.848 0.000 1.028 205 S HN 0.982 nan 8.310 nan 0.000 0.484 206 A N 2.979 125.712 122.820 -0.144 0.000 2.449 206 A HA 0.877 5.194 4.320 -0.004 0.000 0.302 206 A C -0.198 177.315 177.584 -0.119 0.000 1.048 206 A CA -0.665 51.215 52.037 -0.261 0.000 0.708 206 A CB 1.579 20.370 19.000 -0.349 0.000 1.274 206 A HN 1.036 nan 8.150 nan 0.000 0.410 207 T N -1.025 113.468 114.554 -0.102 0.000 2.916 207 T HA 0.898 5.245 4.350 -0.004 0.000 0.292 207 T C -0.011 174.784 174.700 0.159 0.000 1.064 207 T CA -0.053 62.073 62.100 0.044 0.000 1.011 207 T CB 1.628 70.533 68.868 0.061 0.000 1.152 207 T HN 1.508 nan 8.240 nan 0.000 0.510 208 T N -2.016 112.636 114.554 0.163 0.000 2.864 208 T HA 0.649 4.997 4.350 -0.004 0.000 0.289 208 T C -0.924 173.926 174.700 0.250 0.000 1.082 208 T CA -0.955 61.249 62.100 0.173 0.000 1.009 208 T CB 2.058 70.975 68.868 0.081 0.000 1.234 208 T HN 0.873 nan 8.240 nan 0.000 0.526 209 W N 0.504 121.751 121.300 -0.088 0.000 3.663 209 W HA 0.561 5.219 4.660 -0.004 0.000 0.564 209 W C -1.329 175.110 176.519 -0.134 0.000 1.623 209 W CA -0.802 56.482 57.345 -0.103 0.000 0.872 209 W CB 1.237 30.616 29.460 -0.134 0.000 2.791 209 W HN 0.864 nan 8.180 nan 0.000 0.677 210 N N 1.193 119.556 118.700 -0.560 0.000 2.777 210 N HA 0.091 4.828 4.740 -0.004 0.000 0.260 210 N C -2.305 173.014 175.510 -0.318 0.000 1.113 210 N CA -0.747 52.018 53.050 -0.474 0.000 0.996 210 N CB 2.287 40.435 38.487 -0.565 0.000 1.584 210 N HN -0.105 nan 8.380 nan 0.000 0.573 211 P HA 0.056 nan 4.420 nan 0.000 0.236 211 P C -0.429 176.770 177.300 -0.167 0.000 1.177 211 P CA 0.675 63.693 63.100 -0.136 0.000 0.773 211 P CB 0.344 32.094 31.700 0.083 0.000 0.878 212 E N 1.524 121.713 120.200 -0.018 0.000 2.344 212 E HA 0.243 4.590 4.350 -0.004 0.000 0.270 212 E C 0.752 177.336 176.600 -0.027 0.000 1.021 212 E CA 0.203 56.614 56.400 0.020 0.000 0.887 212 E CB 0.347 30.050 29.700 0.005 0.000 0.997 212 E HN 0.275 nan 8.360 nan 0.000 0.429 213 R N 1.632 122.117 120.500 -0.024 0.000 2.728 213 R HA 0.511 4.849 4.340 -0.004 0.000 0.274 213 R C -1.427 174.854 176.300 -0.033 0.000 1.032 213 R CA -0.991 55.079 56.100 -0.050 0.000 0.866 213 R CB 1.380 31.573 30.300 -0.178 0.000 1.263 213 R HN 0.604 nan 8.270 nan 0.000 0.475 214 E N 1.347 121.486 120.200 -0.102 0.000 2.422 214 E HA 0.366 4.713 4.350 -0.004 0.000 0.280 214 E C -1.345 175.032 176.600 -0.373 0.000 1.091 214 E CA -1.239 55.052 56.400 -0.182 0.000 0.849 214 E CB 1.564 31.166 29.700 -0.163 0.000 1.353 214 E HN 0.620 nan 8.360 nan 0.000 0.449 215 R N 0.643 120.953 120.500 -0.318 0.000 2.441 215 R HA 0.377 4.715 4.340 -0.004 0.000 0.284 215 R C -0.818 175.192 176.300 -0.484 0.000 1.070 215 R CA -0.356 55.550 56.100 -0.323 0.000 1.047 215 R CB 0.486 30.693 30.300 -0.154 0.000 1.016 215 R HN 0.484 nan 8.270 nan 0.000 0.477 216 H N 0.648 119.694 119.070 -0.039 0.000 2.887 216 H HA 0.249 4.802 4.556 -0.005 0.000 0.300 216 H C -1.204 174.031 175.328 -0.156 0.000 1.038 216 H CA -0.715 55.309 56.048 -0.040 0.000 1.352 216 H CB 1.052 30.771 29.762 -0.073 0.000 1.473 216 H HN 0.330 nan 8.280 nan 0.000 0.503 217 D N 3.696 124.043 120.400 -0.089 0.000 2.344 217 D HA 0.292 4.929 4.640 -0.004 0.000 0.239 217 D C 0.056 176.030 176.300 -0.543 0.000 1.064 217 D CA -0.356 53.452 54.000 -0.319 0.000 0.829 217 D CB 2.140 42.766 40.800 -0.290 0.000 1.129 217 D HN 0.432 nan 8.370 nan 0.000 0.506 218 I N 2.260 122.503 120.570 -0.545 0.000 2.359 218 I HA 0.185 4.353 4.170 -0.004 0.000 0.294 218 I C 0.425 176.424 176.117 -0.196 0.000 0.987 218 I CA -0.601 60.443 61.300 -0.427 0.000 1.225 218 I CB 1.140 38.750 38.000 -0.650 0.000 1.366 218 I HN 0.415 nan 8.210 nan 0.000 0.466 219 Y N 2.926 123.463 120.300 0.395 0.000 2.522 219 Y HA 0.137 4.684 4.550 -0.005 0.000 0.277 219 Y C 1.111 177.307 175.900 0.492 0.000 1.104 219 Y CA -0.150 58.201 58.100 0.418 0.000 1.260 219 Y CB 0.632 39.252 38.460 0.267 0.000 1.151 219 Y HN 0.652 nan 8.280 nan 0.000 0.539 220 S N -1.823 114.279 115.700 0.669 0.000 2.565 220 S HA 0.498 4.966 4.470 -0.004 0.000 0.269 220 S C -2.034 173.005 174.600 0.731 0.000 1.153 220 S CA -0.733 57.762 58.200 0.492 0.000 0.835 220 S CB 2.231 65.650 63.200 0.365 0.000 1.122 220 S HN 0.218 nan 8.310 nan 0.000 0.462 221 W N 2.185 123.749 121.300 0.440 0.000 3.775 221 W HA 0.622 5.279 4.660 -0.005 0.000 0.315 221 W C -1.457 175.393 176.519 0.551 0.000 1.169 221 W CA -0.243 57.475 57.345 0.623 0.000 1.266 221 W CB 1.303 31.274 29.460 0.851 0.000 1.269 221 W HN 1.217 nan 8.180 nan 0.000 0.471 222 S N 4.499 120.428 115.700 0.382 0.000 2.566 222 S HA 0.901 5.368 4.470 -0.004 0.000 0.298 222 S C -1.449 172.989 174.600 -0.270 0.000 1.083 222 S CA -0.650 57.536 58.200 -0.022 0.000 0.978 222 S CB 2.693 65.911 63.200 0.031 0.000 1.073 222 S HN 0.672 nan 8.310 nan 0.000 0.491 223 F N 0.570 119.964 119.950 -0.926 0.000 2.615 223 F HA 0.616 5.142 4.527 -0.003 0.000 0.312 223 F C -1.366 174.025 175.800 -0.681 0.000 1.119 223 F CA -0.045 57.402 58.000 -0.922 0.000 0.979 223 F CB 2.089 40.084 39.000 -1.675 0.000 1.266 223 F HN 0.723 nan 8.300 nan 0.000 0.444 224 T N 3.689 117.672 114.554 -0.952 0.000 2.937 224 T HA 0.532 4.879 4.350 -0.004 0.000 0.297 224 T C -1.134 173.182 174.700 -0.639 0.000 0.991 224 T CA -0.787 60.972 62.100 -0.568 0.000 0.990 224 T CB 1.373 70.061 68.868 -0.300 0.000 0.991 224 T HN 0.663 nan 8.240 nan 0.000 0.440 225 S N 1.891 117.409 115.700 -0.303 0.000 2.566 225 S HA 0.881 5.348 4.470 -0.004 0.000 0.298 225 S C -0.746 173.884 174.600 0.049 0.000 1.083 225 S CA -0.783 57.399 58.200 -0.031 0.000 0.978 225 S CB 1.992 65.338 63.200 0.244 0.000 1.073 225 S HN 0.496 nan 8.310 nan 0.000 0.491 226 T N 2.637 117.241 114.554 0.083 0.000 3.011 226 T HA 0.476 4.823 4.350 -0.004 0.000 0.303 226 T C -1.467 173.296 174.700 0.104 0.000 0.997 226 T CA -0.433 61.709 62.100 0.071 0.000 1.007 226 T CB 1.127 70.014 68.868 0.032 0.000 1.017 226 T HN 0.653 nan 8.240 nan 0.000 0.443 227 L N 3.630 124.913 121.223 0.099 0.000 2.287 227 L HA 0.544 4.881 4.340 -0.004 0.000 0.287 227 L C -0.189 176.727 176.870 0.076 0.000 1.022 227 L CA -0.456 54.448 54.840 0.107 0.000 0.814 227 L CB 0.804 42.929 42.059 0.109 0.000 1.217 227 L HN 0.432 nan 8.230 nan 0.000 0.420 228 K N 4.903 125.348 120.400 0.075 0.000 2.349 228 K HA 0.150 4.467 4.320 -0.004 0.000 0.289 228 K C -0.417 176.220 176.600 0.062 0.000 1.064 228 K CA -0.082 56.239 56.287 0.056 0.000 0.947 228 K CB 0.239 32.768 32.500 0.049 0.000 1.007 228 K HN 0.646 nan 8.250 nan 0.000 0.478 229 E N 2.144 122.373 120.200 0.048 0.000 2.513 229 E HA -0.170 4.178 4.350 -0.004 0.000 0.156 229 E C -1.950 174.668 176.600 0.030 0.000 1.740 229 E CA -0.423 55.997 56.400 0.033 0.000 0.646 229 E CB -0.837 28.879 29.700 0.027 0.000 1.080 229 E HN 0.528 nan 8.360 nan 0.000 0.345 230 P HA 0.000 nan 4.420 nan 0.000 0.216 230 P CA 0.000 63.117 63.100 0.028 0.000 0.800 230 P CB 0.000 31.717 31.700 0.029 0.000 0.726