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 3e90_1_B DATA FIRST_RESID 0 DATA SEQUENCE GGGVLWDTXX XKEYKKGDTT TGVYRIMTRG LLGSYQAGAG VMVEGVFHTL DATA SEQUENCE WHTTKGAALM SGEGRLDPYW GSVKEDRLCY GGPWKLQHKW NGQDEVQMIV DATA SEQUENCE VEPGKNVKNV RTKPGVFKTP EGEIGAVTLD FPTGTSGSPI VDKNGDVIGL DATA SEQUENCE YGNGVIMPNG SYISAIVQGK RMDEPI 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 0 G C 0.000 174.758 174.900 -0.236 0.000 0.946 0 G CA 0.000 44.974 45.100 -0.209 0.000 0.502 1 G N -0.157 108.539 108.800 -0.174 0.000 2.544 1 G HA2 0.814 4.774 3.960 -0.000 0.000 0.313 1 G HA3 0.814 4.774 3.960 -0.000 0.000 0.313 1 G C 0.465 175.298 174.900 -0.111 0.000 1.316 1 G CA 0.003 45.019 45.100 -0.140 0.000 0.944 1 G HN 1.619 nan 8.290 nan 0.000 0.489 2 G N -1.112 107.599 108.800 -0.149 0.000 2.892 2 G HA2 0.332 4.292 3.960 -0.000 0.000 0.686 2 G HA3 0.332 4.292 3.960 -0.000 0.000 0.686 2 G C -0.504 174.303 174.900 -0.154 0.000 1.244 2 G CA 0.039 45.097 45.100 -0.070 0.000 0.947 2 G HN 2.050 nan 8.290 nan 0.000 0.584 3 V N 3.848 123.641 119.914 -0.202 0.000 2.915 3 V HA 0.511 4.631 4.120 -0.000 0.000 0.273 3 V C -0.630 175.402 176.094 -0.104 0.000 1.538 3 V CA -0.870 61.321 62.300 -0.182 0.000 0.946 3 V CB 1.508 33.131 31.823 -0.334 0.000 1.183 3 V HN 1.075 nan 8.190 nan 0.000 0.446 4 L N 6.373 127.573 121.223 -0.038 0.000 2.264 4 L HA 0.482 4.822 4.340 -0.000 0.000 0.289 4 L C -0.475 176.373 176.870 -0.036 0.000 1.044 4 L CA -0.220 54.626 54.840 0.010 0.000 0.807 4 L CB 1.226 43.272 42.059 -0.021 0.000 1.192 4 L HN 0.684 nan 8.230 nan 0.000 0.425 5 W N 2.433 123.648 121.300 -0.142 0.000 2.112 5 W HA 0.121 4.781 4.660 -0.000 0.000 0.349 5 W C 0.210 176.684 176.519 -0.075 0.000 1.289 5 W CA -0.059 57.227 57.345 -0.098 0.000 1.256 5 W CB 0.276 29.673 29.460 -0.105 0.000 1.148 5 W HN 0.341 nan 8.180 nan 0.000 0.590 6 D N 0.878 121.395 120.400 0.196 0.000 2.392 6 D HA 0.297 4.937 4.640 -0.000 0.000 0.228 6 D C 0.199 176.585 176.300 0.143 0.000 1.074 6 D CA -0.020 54.051 54.000 0.119 0.000 0.838 6 D CB 0.997 41.830 40.800 0.055 0.000 1.067 6 D HN 0.298 nan 8.370 nan 0.000 0.511 12 E N 1.372 121.637 120.200 0.109 0.000 2.849 12 E HA 0.468 4.818 4.350 -0.000 0.000 0.257 12 E C -0.705 176.033 176.600 0.229 0.000 1.306 12 E CA -0.012 56.477 56.400 0.147 0.000 1.058 12 E CB 0.454 30.153 29.700 -0.000 0.000 1.249 12 E HN 0.450 nan 8.360 nan 0.000 0.638 13 Y N -2.741 117.567 120.300 0.013 0.000 2.705 13 Y HA 0.506 5.056 4.550 -0.000 0.000 0.332 13 Y C -0.899 175.002 175.900 0.003 0.000 1.221 13 Y CA -1.491 56.613 58.100 0.007 0.000 1.059 13 Y CB 0.947 39.411 38.460 0.007 0.000 1.298 13 Y HN 0.184 nan 8.280 nan 0.000 0.459 14 K N 2.505 122.908 120.400 0.005 0.000 2.227 14 K HA 0.233 4.553 4.320 -0.000 0.000 0.280 14 K C -0.651 175.903 176.600 -0.076 0.000 1.041 14 K CA -0.638 55.591 56.287 -0.096 0.000 0.905 14 K CB 0.939 33.430 32.500 -0.015 0.000 1.068 14 K HN 0.784 nan 8.250 nan 0.000 0.470 15 K N 2.801 123.075 120.400 -0.210 0.000 2.401 15 K HA 0.077 4.397 4.320 -0.000 0.000 0.278 15 K C 0.163 176.763 176.600 -0.000 0.000 1.018 15 K CA -0.135 56.107 56.287 -0.075 0.000 0.981 15 K CB 0.565 32.994 32.500 -0.119 0.000 0.933 15 K HN 0.813 nan 8.250 nan 0.000 0.477 16 G N 2.277 111.100 108.800 0.038 0.000 2.651 16 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.260 16 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.260 16 G C -0.596 174.276 174.900 -0.047 0.000 1.216 16 G CA -0.478 44.611 45.100 -0.018 0.000 0.913 16 G HN 0.794 nan 8.290 nan 0.000 0.535 17 D N -0.519 119.848 120.400 -0.055 0.000 2.412 17 D HA 0.089 4.729 4.640 -0.000 0.000 0.257 17 D C 1.279 177.536 176.300 -0.072 0.000 1.217 17 D CA 0.280 54.257 54.000 -0.038 0.000 0.897 17 D CB 0.505 41.302 40.800 -0.005 0.000 1.132 17 D HN 0.285 nan 8.370 nan 0.000 0.493 18 T N 0.047 114.575 114.554 -0.043 0.000 3.269 18 T HA 0.144 4.494 4.350 -0.000 0.000 0.269 18 T C 0.494 175.212 174.700 0.029 0.000 0.993 18 T CA -0.673 61.395 62.100 -0.053 0.000 0.909 18 T CB -0.397 68.447 68.868 -0.041 0.000 1.115 18 T HN 0.192 nan 8.240 nan 0.000 0.543 19 T N 3.985 118.595 114.554 0.093 0.000 2.866 19 T HA 0.099 4.449 4.350 -0.000 0.000 0.293 19 T C 0.630 175.452 174.700 0.204 0.000 1.005 19 T CA 0.386 62.564 62.100 0.129 0.000 1.162 19 T CB 0.232 69.178 68.868 0.130 0.000 0.968 19 T HN 0.434 nan 8.240 nan 0.000 0.530 20 T N 3.655 118.287 114.554 0.130 0.000 2.933 20 T HA 0.445 4.795 4.350 -0.000 0.000 0.306 20 T C 0.883 175.686 174.700 0.172 0.000 1.045 20 T CA 0.534 62.718 62.100 0.139 0.000 1.143 20 T CB 0.224 69.134 68.868 0.069 0.000 1.003 20 T HN 1.012 nan 8.240 nan 0.000 0.540 21 G N 1.085 110.018 108.800 0.222 0.000 2.356 21 G HA2 0.326 4.286 3.960 -0.000 0.000 0.288 21 G HA3 0.326 4.286 3.960 -0.000 0.000 0.288 21 G C -1.605 173.446 174.900 0.251 0.000 1.302 21 G CA -0.861 44.329 45.100 0.151 0.000 0.887 21 G HN 0.718 nan 8.290 nan 0.000 0.521 22 V N 0.598 120.571 119.914 0.098 0.000 2.427 22 V HA 0.726 4.846 4.120 -0.000 0.000 0.286 22 V C -0.825 175.332 176.094 0.105 0.000 1.034 22 V CA -0.458 61.935 62.300 0.155 0.000 0.893 22 V CB 1.017 32.862 31.823 0.037 0.000 0.982 22 V HN 0.617 nan 8.190 nan 0.000 0.452 23 Y N 2.686 123.074 120.300 0.147 0.000 2.570 23 Y HA 0.637 5.187 4.550 -0.000 0.000 0.345 23 Y C 0.398 176.364 175.900 0.111 0.000 1.014 23 Y CA -1.116 57.053 58.100 0.115 0.000 1.063 23 Y CB 1.861 40.386 38.460 0.108 0.000 1.272 23 Y HN 0.429 nan 8.280 nan 0.000 0.477 24 R N 2.009 122.624 120.500 0.193 0.000 2.346 24 R HA 0.559 4.899 4.340 -0.000 0.000 0.311 24 R C -1.187 175.174 176.300 0.100 0.000 0.983 24 R CA -0.601 55.570 56.100 0.118 0.000 0.880 24 R CB 1.104 31.430 30.300 0.043 0.000 1.100 24 R HN 0.578 nan 8.270 nan 0.000 0.453 25 I N 4.898 125.525 120.570 0.095 0.000 2.297 25 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 25 I C 0.037 176.134 176.117 -0.034 0.000 1.033 25 I CA -0.243 61.072 61.300 0.026 0.000 1.253 25 I CB 0.828 38.874 38.000 0.076 0.000 1.396 25 I HN 0.332 nan 8.210 nan 0.000 0.476 26 M N 4.582 124.130 119.600 -0.087 0.000 2.573 26 M HA 0.561 5.041 4.480 -0.000 0.000 0.309 26 M C -0.040 176.133 176.300 -0.210 0.000 1.202 26 M CA -0.390 54.824 55.300 -0.143 0.000 0.975 26 M CB 1.617 34.153 32.600 -0.107 0.000 1.600 26 M HN 0.469 nan 8.290 nan 0.000 0.479 27 T N 0.589 114.942 114.554 -0.335 0.000 2.802 27 T HA 0.551 4.901 4.350 -0.000 0.000 0.311 27 T C -1.529 172.949 174.700 -0.369 0.000 1.405 27 T CA -0.779 61.115 62.100 -0.344 0.000 1.016 27 T CB 1.795 70.432 68.868 -0.385 0.000 1.352 27 T HN 0.687 nan 8.240 nan 0.000 0.498 28 R N 1.147 121.534 120.500 -0.189 0.000 2.445 28 R HA 0.641 4.981 4.340 -0.000 0.000 0.308 28 R C 0.290 176.620 176.300 0.050 0.000 0.961 28 R CA -0.807 55.258 56.100 -0.060 0.000 0.862 28 R CB 1.803 32.090 30.300 -0.023 0.000 1.144 28 R HN 0.717 nan 8.270 nan 0.000 0.447 29 G N 1.088 110.013 108.800 0.208 0.000 2.938 29 G HA2 0.322 4.282 3.960 -0.000 0.000 0.258 29 G HA3 0.322 4.282 3.960 -0.000 0.000 0.258 29 G C 0.656 175.636 174.900 0.132 0.000 1.356 29 G CA -0.782 44.472 45.100 0.258 0.000 1.052 29 G HN 0.475 nan 8.290 nan 0.000 0.550 30 L N -0.721 120.558 121.223 0.093 0.000 2.551 30 L HA 0.100 4.440 4.340 -0.000 0.000 0.228 30 L C 1.428 178.324 176.870 0.044 0.000 1.153 30 L CA 0.335 55.207 54.840 0.053 0.000 0.851 30 L CB -0.135 41.944 42.059 0.034 0.000 0.959 30 L HN 0.146 nan 8.230 nan 0.000 0.451 31 L N -0.864 120.392 121.223 0.056 0.000 2.959 31 L HA 0.462 4.802 4.340 -0.000 0.000 0.259 31 L C 0.774 177.683 176.870 0.064 0.000 1.185 31 L CA 0.166 55.030 54.840 0.040 0.000 0.998 31 L CB 0.277 42.339 42.059 0.005 0.000 1.337 31 L HN 0.190 nan 8.230 nan 0.000 0.555 32 G N -0.818 108.038 108.800 0.093 0.000 2.362 32 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.517 32 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.517 32 G C -0.554 174.436 174.900 0.150 0.000 1.256 32 G CA -0.433 44.723 45.100 0.093 0.000 1.027 32 G HN 0.253 nan 8.290 nan 0.000 0.491 33 S N -0.492 115.270 115.700 0.103 0.000 2.586 33 S HA 0.868 5.338 4.470 -0.000 0.000 0.274 33 S C -0.278 174.419 174.600 0.162 0.000 1.281 33 S CA 0.588 58.827 58.200 0.065 0.000 1.035 33 S CB 1.450 64.649 63.200 -0.001 0.000 0.962 33 S HN 2.132 nan 8.310 nan 0.000 0.512 34 Y N -1.097 119.208 120.300 0.008 0.000 2.705 34 Y HA 0.542 5.092 4.550 0.000 0.000 0.332 34 Y C -0.887 175.024 175.900 0.018 0.000 1.221 34 Y CA -1.387 56.721 58.100 0.013 0.000 1.059 34 Y CB 1.032 39.501 38.460 0.015 0.000 1.298 34 Y HN 0.669 nan 8.280 nan 0.000 0.459 35 Q N 1.347 121.246 119.800 0.166 0.000 2.349 35 Q HA 0.592 4.932 4.340 -0.000 0.000 0.254 35 Q C 0.217 176.302 176.000 0.143 0.000 0.980 35 Q CA 0.159 56.008 55.803 0.076 0.000 0.924 35 Q CB 1.597 30.393 28.738 0.097 0.000 1.209 35 Q HN 0.966 nan 8.270 nan 0.000 0.445 36 A N 3.561 126.390 122.820 0.015 0.000 1.929 36 A HA 0.311 4.631 4.320 -0.000 0.000 0.216 36 A C 0.863 178.534 177.584 0.145 0.000 1.176 36 A CA 1.348 53.445 52.037 0.100 0.000 0.628 36 A CB 0.015 19.018 19.000 0.005 0.000 0.816 36 A HN 0.838 nan 8.150 nan 0.000 0.444 37 G N -3.159 105.714 108.800 0.122 0.000 2.428 37 G HA2 0.635 4.595 3.960 -0.000 0.000 0.305 37 G HA3 0.635 4.595 3.960 -0.000 0.000 0.305 37 G C -1.056 173.934 174.900 0.150 0.000 1.260 37 G CA 0.115 45.309 45.100 0.156 0.000 0.853 37 G HN 1.179 nan 8.290 nan 0.000 0.480 38 A N -2.041 120.880 122.820 0.168 0.000 2.564 38 A HA 1.084 5.404 4.320 -0.000 0.000 0.288 38 A C 0.001 177.690 177.584 0.174 0.000 1.164 38 A CA 0.188 52.338 52.037 0.188 0.000 0.712 38 A CB 1.599 20.684 19.000 0.141 0.000 1.303 38 A HN 2.481 nan 8.150 nan 0.000 0.418 39 G N -1.852 107.068 108.800 0.199 0.000 2.559 39 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 39 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 39 G C -2.012 172.908 174.900 0.034 0.000 1.424 39 G CA 0.160 45.192 45.100 -0.113 0.000 0.786 39 G HN 1.752 nan 8.290 nan 0.000 0.485 40 V N 0.484 120.296 119.914 -0.171 0.000 2.531 40 V HA 0.751 4.871 4.120 -0.000 0.000 0.301 40 V C -0.706 175.451 176.094 0.105 0.000 1.034 40 V CA -0.840 61.490 62.300 0.050 0.000 0.865 40 V CB 1.565 33.370 31.823 -0.031 0.000 0.995 40 V HN 0.882 nan 8.190 nan 0.000 0.424 41 M N 7.667 127.443 119.600 0.293 0.000 2.080 41 M HA 0.661 5.141 4.480 -0.000 0.000 0.350 41 M C -1.351 175.043 176.300 0.156 0.000 1.173 41 M CA 0.237 55.693 55.300 0.261 0.000 1.052 41 M CB 0.981 33.708 32.600 0.211 0.000 1.577 41 M HN 0.438 nan 8.290 nan 0.000 0.455 42 V N 4.742 124.736 119.914 0.133 0.000 2.808 42 V HA 0.335 4.455 4.120 -0.000 0.000 0.308 42 V C 0.083 176.218 176.094 0.068 0.000 1.099 42 V CA -0.720 61.608 62.300 0.046 0.000 0.920 42 V CB 1.795 33.555 31.823 -0.105 0.000 1.014 42 V HN 0.904 nan 8.190 nan 0.000 0.425 43 E N 3.156 123.373 120.200 0.030 0.000 2.440 43 E HA -0.266 4.084 4.350 -0.000 0.000 0.246 43 E C 1.044 177.651 176.600 0.012 0.000 1.165 43 E CA 0.947 57.357 56.400 0.016 0.000 0.726 43 E CB -1.048 28.655 29.700 0.004 0.000 1.271 43 E HN 1.882 nan 8.360 nan 0.000 0.397 44 G N -1.576 107.236 108.800 0.020 0.000 2.153 44 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.252 44 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.252 44 G C 0.074 174.967 174.900 -0.011 0.000 0.994 44 G CA 0.273 45.374 45.100 0.001 0.000 0.698 44 G HN 0.540 nan 8.290 nan 0.000 0.521 45 V N 0.155 120.072 119.914 0.005 0.000 2.656 45 V HA 0.695 4.815 4.120 -0.000 0.000 0.307 45 V C -0.511 175.539 176.094 -0.074 0.000 1.051 45 V CA -1.087 61.164 62.300 -0.082 0.000 0.893 45 V CB 1.952 33.640 31.823 -0.224 0.000 0.999 45 V HN 0.327 nan 8.190 nan 0.000 0.426 46 F N 4.430 124.224 119.950 -0.260 0.000 2.405 46 F HA 0.645 5.171 4.527 -0.000 0.000 0.355 46 F C 0.037 175.691 175.800 -0.243 0.000 1.121 46 F CA -0.318 57.561 58.000 -0.202 0.000 1.112 46 F CB 0.516 39.364 39.000 -0.254 0.000 1.126 46 F HN 0.572 nan 8.300 nan 0.000 0.481 47 H N 2.735 121.408 119.070 -0.661 0.000 2.472 47 H HA 0.695 5.251 4.556 -0.000 0.000 0.338 47 H C 0.066 175.047 175.328 -0.579 0.000 1.133 47 H CA -0.677 55.050 56.048 -0.536 0.000 1.216 47 H CB 1.928 31.240 29.762 -0.750 0.000 1.497 47 H HN 0.645 nan 8.280 nan 0.000 0.500 48 T N 0.961 115.503 114.554 -0.021 0.000 2.677 48 T HA 0.360 4.710 4.350 -0.000 0.000 0.305 48 T C -1.288 173.514 174.700 0.171 0.000 1.569 48 T CA -0.837 61.256 62.100 -0.012 0.000 0.984 48 T CB 0.614 69.401 68.868 -0.135 0.000 1.629 48 T HN 0.412 nan 8.240 nan 0.000 0.494 49 L N 2.101 123.360 121.223 0.059 0.000 2.453 49 L HA 0.274 4.614 4.340 -0.000 0.000 0.261 49 L C 1.598 178.457 176.870 -0.018 0.000 1.179 49 L CA -0.721 54.104 54.840 -0.025 0.000 0.813 49 L CB 0.520 42.377 42.059 -0.336 0.000 1.110 49 L HN 0.767 nan 8.230 nan 0.000 0.466 50 W N 2.888 124.113 121.300 -0.123 0.000 2.358 50 W HA -0.179 4.481 4.660 -0.000 0.000 0.303 50 W C 2.261 178.794 176.519 0.023 0.000 1.208 50 W CA 2.051 59.376 57.345 -0.033 0.000 1.274 50 W CB -0.313 29.133 29.460 -0.023 0.000 1.138 50 W HN 0.834 nan 8.180 nan 0.000 0.515 51 H N 0.011 119.282 119.070 0.335 0.000 2.561 51 H HA -0.076 4.480 4.556 0.000 0.000 0.278 51 H C 1.859 177.248 175.328 0.101 0.000 1.014 51 H CA 1.529 57.719 56.048 0.238 0.000 1.211 51 H CB -0.679 29.230 29.762 0.246 0.000 1.365 51 H HN 0.084 nan 8.280 nan 0.000 0.594 52 T N -0.387 114.268 114.554 0.168 0.000 2.812 52 T HA -0.132 4.218 4.350 -0.000 0.000 0.264 52 T C 2.048 176.799 174.700 0.085 0.000 1.042 52 T CA 1.738 63.948 62.100 0.184 0.000 1.140 52 T CB -0.483 68.460 68.868 0.125 0.000 0.870 52 T HN 0.548 nan 8.240 nan 0.000 0.445 53 T N -2.042 112.505 114.554 -0.012 0.000 2.958 53 T HA 0.334 4.684 4.350 -0.000 0.000 0.256 53 T C 0.739 175.346 174.700 -0.155 0.000 0.983 53 T CA -0.121 61.950 62.100 -0.047 0.000 0.924 53 T CB -0.266 68.600 68.868 -0.003 0.000 1.136 53 T HN 0.442 nan 8.240 nan 0.000 0.506 54 K N 1.135 121.321 120.400 -0.356 0.000 3.088 54 K HA -0.184 4.136 4.320 -0.000 0.000 0.273 54 K C 1.052 177.287 176.600 -0.608 0.000 1.111 54 K CA 0.484 56.417 56.287 -0.590 0.000 0.803 54 K CB -2.021 30.439 32.500 -0.066 0.000 1.226 54 K HN 0.973 nan 8.250 nan 0.000 0.485 55 G N -1.316 107.069 108.800 -0.691 0.000 2.175 55 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 55 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 55 G C 0.275 174.911 174.900 -0.440 0.000 0.982 55 G CA 0.260 44.894 45.100 -0.776 0.000 0.641 55 G HN 0.903 nan 8.290 nan 0.000 0.527 56 A N 0.312 123.032 122.820 -0.166 0.000 2.520 56 A HA 0.701 5.021 4.320 -0.000 0.000 0.235 56 A C 1.160 178.737 177.584 -0.011 0.000 1.065 56 A CA 1.140 53.137 52.037 -0.067 0.000 0.764 56 A CB 0.236 19.210 19.000 -0.043 0.000 1.002 56 A HN 2.151 nan 8.150 nan 0.000 0.502 57 A N 1.842 124.642 122.820 -0.034 0.000 2.462 57 A HA 0.537 4.857 4.320 -0.000 0.000 0.243 57 A C -0.015 177.527 177.584 -0.069 0.000 1.076 57 A CA -0.021 52.006 52.037 -0.017 0.000 0.773 57 A CB -0.117 18.832 19.000 -0.084 0.000 1.010 57 A HN 0.816 nan 8.150 nan 0.000 0.493 58 L N 2.667 123.808 121.223 -0.135 0.000 2.334 58 L HA 0.444 4.784 4.340 -0.000 0.000 0.276 58 L C -0.191 176.547 176.870 -0.220 0.000 1.014 58 L CA -0.718 53.960 54.840 -0.270 0.000 0.815 58 L CB 1.698 43.418 42.059 -0.565 0.000 1.268 58 L HN 0.592 nan 8.230 nan 0.000 0.428 59 M N 2.123 121.606 119.600 -0.194 0.000 2.209 59 M HA 0.309 4.789 4.480 -0.000 0.000 0.355 59 M C -0.245 175.948 176.300 -0.179 0.000 1.171 59 M CA 0.064 55.278 55.300 -0.143 0.000 1.069 59 M CB 1.224 33.762 32.600 -0.102 0.000 1.622 59 M HN 0.512 nan 8.290 nan 0.000 0.459 60 S N 2.231 117.842 115.700 -0.148 0.000 2.775 60 S HA 0.657 5.127 4.470 -0.000 0.000 0.277 60 S C 0.153 174.708 174.600 -0.075 0.000 1.156 60 S CA 0.458 58.569 58.200 -0.150 0.000 1.081 60 S CB 0.341 63.391 63.200 -0.250 0.000 1.054 60 S HN 1.174 nan 8.310 nan 0.000 0.482 61 G N 4.651 113.423 108.800 -0.046 0.000 2.514 61 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.265 61 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.265 61 G C 0.109 174.994 174.900 -0.026 0.000 1.150 61 G CA 0.405 45.489 45.100 -0.026 0.000 0.959 61 G HN 0.696 nan 8.290 nan 0.000 0.556 62 E N 1.121 121.310 120.200 -0.017 0.000 2.444 62 E HA 0.417 4.767 4.350 -0.000 0.000 0.191 62 E C 1.062 177.662 176.600 -0.001 0.000 1.041 62 E CA 0.303 56.697 56.400 -0.010 0.000 0.883 62 E CB 0.710 30.405 29.700 -0.008 0.000 1.024 62 E HN 0.734 nan 8.360 nan 0.000 0.470 63 G N 0.816 109.614 108.800 -0.003 0.000 2.932 63 G HA2 0.565 4.525 3.960 -0.000 0.000 0.283 63 G HA3 0.565 4.525 3.960 -0.000 0.000 0.283 63 G C -1.022 173.897 174.900 0.032 0.000 1.336 63 G CA -0.669 44.448 45.100 0.028 0.000 1.056 63 G HN -0.020 nan 8.290 nan 0.000 0.522 64 R N -0.936 119.637 120.500 0.121 0.000 2.807 64 R HA 0.682 5.022 4.340 -0.000 0.000 0.276 64 R C -1.395 174.987 176.300 0.138 0.000 0.979 64 R CA -0.713 55.431 56.100 0.073 0.000 0.928 64 R CB 1.593 31.907 30.300 0.024 0.000 1.191 64 R HN 0.373 nan 8.270 nan 0.000 0.471 65 L N 2.997 124.228 121.223 0.013 0.000 2.376 65 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 65 L C -0.892 176.073 176.870 0.157 0.000 0.987 65 L CA -0.963 53.927 54.840 0.083 0.000 0.828 65 L CB 2.085 44.101 42.059 -0.070 0.000 1.249 65 L HN 0.539 nan 8.230 nan 0.000 0.409 66 D N 3.905 124.397 120.400 0.154 0.000 2.217 66 D HA 0.364 5.004 4.640 -0.000 0.000 0.248 66 D C -2.383 173.841 176.300 -0.127 0.000 1.008 66 D CA -1.225 52.784 54.000 0.016 0.000 0.914 66 D CB 1.922 42.670 40.800 -0.086 0.000 1.182 66 D HN 0.212 nan 8.370 nan 0.000 0.451 67 P HA -0.023 nan 4.420 nan 0.000 0.271 67 P C -0.314 176.650 177.300 -0.560 0.000 1.216 67 P CA 0.042 62.365 63.100 -1.295 0.000 0.776 67 P CB 1.032 31.443 31.700 -2.148 0.000 0.881 68 Y N 3.671 123.742 120.300 -0.382 0.000 2.472 68 Y HA 0.319 4.869 4.550 -0.000 0.000 0.288 68 Y C 0.181 176.265 175.900 0.306 0.000 1.154 68 Y CA 0.400 58.519 58.100 0.030 0.000 1.238 68 Y CB 0.301 38.819 38.460 0.096 0.000 1.287 68 Y HN 0.457 nan 8.280 nan 0.000 0.524 69 W N 0.501 121.908 121.300 0.178 0.000 3.107 69 W HA 0.589 5.249 4.660 -0.000 0.000 0.331 69 W C -1.190 175.548 176.519 0.367 0.000 1.204 69 W CA -0.484 57.035 57.345 0.291 0.000 1.184 69 W CB 1.751 31.396 29.460 0.309 0.000 1.421 69 W HN 0.294 nan 8.180 nan 0.000 0.544 70 G N 1.681 110.032 108.800 -0.749 0.000 2.632 70 G HA2 0.490 4.450 3.960 -0.000 0.000 0.292 70 G HA3 0.490 4.450 3.960 -0.000 0.000 0.292 70 G C -1.999 172.321 174.900 -0.967 0.000 1.465 70 G CA -0.592 44.117 45.100 -0.651 0.000 0.824 70 G HN 0.710 nan 8.290 nan 0.000 0.509 71 S N 0.185 115.455 115.700 -0.717 0.000 2.668 71 S HA 0.421 4.891 4.470 -0.000 0.000 0.277 71 S C 0.807 175.092 174.600 -0.524 0.000 1.170 71 S CA -0.365 57.480 58.200 -0.591 0.000 0.994 71 S CB 1.741 64.714 63.200 -0.378 0.000 1.051 71 S HN 0.780 nan 8.310 nan 0.000 0.484 72 V N 6.038 125.460 119.914 -0.820 0.000 2.358 72 V HA -0.062 4.058 4.120 -0.000 0.000 0.246 72 V C 2.604 178.498 176.094 -0.334 0.000 1.047 72 V CA 2.111 63.933 62.300 -0.796 0.000 1.035 72 V CB -0.507 30.811 31.823 -0.842 0.000 0.658 72 V HN 0.917 nan 8.190 nan 0.000 0.452 73 K N -0.242 120.003 120.400 -0.259 0.000 2.097 73 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 73 K C 2.043 178.602 176.600 -0.068 0.000 1.049 73 K CA 1.343 57.551 56.287 -0.132 0.000 0.933 73 K CB 0.013 32.448 32.500 -0.109 0.000 0.717 73 K HN 0.394 nan 8.250 nan 0.000 0.442 74 E N 0.500 120.659 120.200 -0.068 0.000 2.299 74 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 74 E C -0.027 176.580 176.600 0.012 0.000 0.998 74 E CA 0.429 56.825 56.400 -0.007 0.000 0.851 74 E CB -0.021 29.701 29.700 0.036 0.000 0.795 74 E HN 0.301 nan 8.360 nan 0.000 0.492 75 D N 0.934 121.333 120.400 -0.002 0.000 2.699 75 D HA -0.183 4.457 4.640 -0.000 0.000 0.239 75 D C -0.705 175.665 176.300 0.117 0.000 1.136 75 D CA 0.675 54.729 54.000 0.089 0.000 0.668 75 D CB -0.899 39.965 40.800 0.107 0.000 1.060 75 D HN 0.126 nan 8.370 nan 0.000 0.429 76 R N -0.500 120.075 120.500 0.125 0.000 2.795 76 R HA 0.824 5.164 4.340 -0.000 0.000 0.275 76 R C -0.886 175.579 176.300 0.275 0.000 0.981 76 R CA -1.054 55.149 56.100 0.171 0.000 0.917 76 R CB 1.882 32.154 30.300 -0.046 0.000 1.202 76 R HN 0.103 nan 8.270 nan 0.000 0.469 77 L N 1.561 123.064 121.223 0.467 0.000 2.611 77 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 77 L C -1.655 175.510 176.870 0.492 0.000 0.924 77 L CA -0.404 54.663 54.840 0.379 0.000 0.901 77 L CB 1.671 43.786 42.059 0.093 0.000 1.369 77 L HN 0.936 nan 8.230 nan 0.000 0.415 78 C N 1.321 120.879 119.300 0.430 0.000 2.712 78 C HA 0.843 5.303 4.460 -0.000 0.000 0.308 78 C C -1.065 173.987 174.990 0.102 0.000 1.201 78 C CA -1.102 58.055 59.018 0.231 0.000 1.554 78 C CB 0.973 28.789 27.740 0.126 0.000 2.117 78 C HN 0.706 nan 8.230 nan 0.000 0.480 79 Y N 0.884 121.172 120.300 -0.019 0.000 2.429 79 Y HA 0.673 5.223 4.550 -0.000 0.000 0.342 79 Y C 1.222 177.110 175.900 -0.020 0.000 1.004 79 Y CA 0.907 59.013 58.100 0.010 0.000 1.075 79 Y CB 2.020 40.491 38.460 0.019 0.000 1.214 79 Y HN 1.405 nan 8.280 nan 0.000 0.455 80 G N 0.534 109.431 108.800 0.162 0.000 2.199 80 G HA2 0.095 4.054 3.960 -0.000 0.000 0.254 80 G HA3 0.095 4.054 3.960 -0.000 0.000 0.254 80 G C 0.257 175.092 174.900 -0.108 0.000 0.982 80 G CA 0.107 45.243 45.100 0.060 0.000 0.632 80 G HN 1.629 nan 8.290 nan 0.000 0.529 81 G N -1.088 107.531 108.800 -0.303 0.000 2.315 81 G HA2 0.658 4.618 3.960 -0.000 0.000 0.294 81 G HA3 0.658 4.618 3.960 -0.000 0.000 0.294 81 G C -3.165 171.222 174.900 -0.855 0.000 1.300 81 G CA 0.189 44.824 45.100 -0.775 0.000 0.843 81 G HN 0.545 nan 8.290 nan 0.000 0.527 82 P HA 0.073 nan 4.420 nan 0.000 0.271 82 P C 0.002 177.313 177.300 0.018 0.000 1.233 82 P CA -0.181 62.832 63.100 -0.145 0.000 0.789 82 P CB 0.750 32.414 31.700 -0.060 0.000 0.951 83 W N 2.588 123.847 121.300 -0.069 0.000 2.417 83 W HA -0.036 4.624 4.660 -0.000 0.000 0.332 83 W C 0.531 177.105 176.519 0.092 0.000 1.413 83 W CA 0.116 57.478 57.345 0.030 0.000 1.299 83 W CB 0.429 29.813 29.460 -0.127 0.000 1.304 83 W HN 0.396 nan 8.180 nan 0.000 0.565 84 K N 5.034 125.412 120.400 -0.035 0.000 2.308 84 K HA 0.113 4.433 4.320 -0.000 0.000 0.197 84 K C 0.855 177.343 176.600 -0.186 0.000 1.049 84 K CA 0.237 56.493 56.287 -0.052 0.000 0.991 84 K CB -0.152 32.366 32.500 0.029 0.000 0.836 84 K HN 0.451 nan 8.250 nan 0.000 0.500 85 L N 3.013 123.936 121.223 -0.499 0.000 2.578 85 L HA -0.091 4.249 4.340 -0.000 0.000 0.279 85 L C 1.165 178.062 176.870 0.045 0.000 1.227 85 L CA 0.626 55.325 54.840 -0.235 0.000 0.900 85 L CB -0.094 41.836 42.059 -0.216 0.000 1.144 85 L HN 0.291 nan 8.230 nan 0.000 0.496 86 Q N 1.109 120.929 119.800 0.033 0.000 2.055 86 Q HA 0.273 4.613 4.340 -0.000 0.000 0.226 86 Q C -0.682 175.153 176.000 -0.276 0.000 0.805 86 Q CA -0.482 55.270 55.803 -0.086 0.000 1.072 86 Q CB 0.566 29.199 28.738 -0.174 0.000 1.219 86 Q HN 0.700 nan 8.270 nan 0.000 0.451 87 H N 1.124 120.230 119.070 0.060 0.000 2.797 87 H HA 0.623 5.179 4.556 -0.000 0.000 0.372 87 H C -0.963 174.421 175.328 0.093 0.000 1.168 87 H CA -0.683 55.402 56.048 0.061 0.000 1.163 87 H CB 1.766 31.555 29.762 0.045 0.000 1.778 87 H HN 0.207 nan 8.280 nan 0.000 0.551 88 K N 0.095 120.628 120.400 0.221 0.000 2.536 88 K HA 0.280 4.600 4.320 -0.000 0.000 0.269 88 K C -1.356 175.389 176.600 0.242 0.000 0.965 88 K CA -1.161 55.251 56.287 0.208 0.000 0.860 88 K CB 1.678 34.271 32.500 0.155 0.000 1.423 88 K HN 0.458 nan 8.250 nan 0.000 0.438 89 W N 4.069 125.402 121.300 0.055 0.000 2.295 89 W HA 0.012 4.672 4.660 0.000 0.000 0.335 89 W C 0.493 177.032 176.519 0.033 0.000 1.351 89 W CA 0.241 57.608 57.345 0.037 0.000 1.273 89 W CB 0.341 29.814 29.460 0.023 0.000 1.214 89 W HN 0.859 nan 8.180 nan 0.000 0.563 90 N N 3.800 122.296 118.700 -0.341 0.000 2.434 90 N HA 0.066 4.806 4.740 -0.000 0.000 0.196 90 N C 1.315 176.312 175.510 -0.855 0.000 1.183 90 N CA 0.516 53.310 53.050 -0.427 0.000 0.849 90 N CB -0.313 38.041 38.487 -0.221 0.000 0.992 90 N HN 0.842 nan 8.380 nan 0.000 0.460 91 G N -0.611 106.983 108.800 -2.010 0.000 2.233 91 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.270 91 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.270 91 G C 0.520 174.741 174.900 -1.131 0.000 1.011 91 G CA 1.022 44.676 45.100 -2.411 0.000 0.762 91 G HN 0.540 nan 8.290 nan 0.000 0.511 92 Q N -1.443 117.945 119.800 -0.687 0.000 2.563 92 Q HA 0.107 4.447 4.340 -0.000 0.000 0.236 92 Q C 0.292 176.346 176.000 0.091 0.000 0.792 92 Q CA -0.041 55.664 55.803 -0.163 0.000 0.960 92 Q CB 0.728 29.375 28.738 -0.151 0.000 1.304 92 Q HN 0.511 nan 8.270 nan 0.000 0.566 93 D N 1.253 121.751 120.400 0.165 0.000 2.388 93 D HA 0.163 4.803 4.640 -0.000 0.000 0.254 93 D C -0.323 176.191 176.300 0.357 0.000 1.111 93 D CA -0.086 54.048 54.000 0.223 0.000 0.993 93 D CB 0.913 41.800 40.800 0.145 0.000 1.118 93 D HN 0.070 nan 8.370 nan 0.000 0.502 94 E N -0.185 120.130 120.200 0.191 0.000 2.345 94 E HA 0.377 4.727 4.350 -0.000 0.000 0.259 94 E C -0.056 176.600 176.600 0.092 0.000 1.117 94 E CA -0.687 55.784 56.400 0.118 0.000 0.913 94 E CB 1.533 31.270 29.700 0.062 0.000 1.057 94 E HN 0.271 nan 8.360 nan 0.000 0.432 95 V N -1.555 118.361 119.914 0.004 0.000 3.155 95 V HA 0.516 4.636 4.120 -0.000 0.000 0.313 95 V C -0.975 175.104 176.094 -0.024 0.000 1.162 95 V CA -0.959 61.335 62.300 -0.010 0.000 1.048 95 V CB 1.943 33.715 31.823 -0.084 0.000 1.092 95 V HN 0.617 nan 8.190 nan 0.000 0.447 96 Q N 1.292 121.079 119.800 -0.021 0.000 2.347 96 Q HA 0.566 4.906 4.340 -0.000 0.000 0.271 96 Q C -1.223 174.753 176.000 -0.039 0.000 1.064 96 Q CA -0.545 55.242 55.803 -0.027 0.000 0.800 96 Q CB 2.622 31.347 28.738 -0.022 0.000 1.304 96 Q HN 0.899 nan 8.270 nan 0.000 0.438 97 M N 3.942 123.508 119.600 -0.057 0.000 2.238 97 M HA 0.442 4.922 4.480 -0.000 0.000 0.350 97 M C -1.136 175.087 176.300 -0.128 0.000 1.138 97 M CA -0.495 54.750 55.300 -0.091 0.000 1.040 97 M CB 0.710 33.228 32.600 -0.137 0.000 1.639 97 M HN 0.625 nan 8.290 nan 0.000 0.451 98 I N 6.339 126.841 120.570 -0.113 0.000 2.241 98 I HA 0.148 4.318 4.170 -0.000 0.000 0.294 98 I C -0.455 175.554 176.117 -0.181 0.000 1.145 98 I CA -0.696 60.533 61.300 -0.118 0.000 1.261 98 I CB 0.232 38.191 38.000 -0.068 0.000 1.475 98 I HN 0.409 nan 8.210 nan 0.000 0.533 99 V N 7.198 126.934 119.914 -0.296 0.000 2.425 99 V HA -0.021 4.099 4.120 -0.000 0.000 0.276 99 V C 0.642 176.563 176.094 -0.289 0.000 1.017 99 V CA -0.072 61.949 62.300 -0.465 0.000 1.062 99 V CB 0.735 32.064 31.823 -0.824 0.000 0.997 99 V HN 0.410 nan 8.190 nan 0.000 0.476 100 V N 5.066 124.860 119.914 -0.199 0.000 2.180 100 V HA 0.231 4.351 4.120 -0.000 0.000 0.265 100 V C 0.512 176.567 176.094 -0.065 0.000 1.214 100 V CA -0.347 61.897 62.300 -0.092 0.000 1.130 100 V CB 0.261 32.073 31.823 -0.017 0.000 1.266 100 V HN 0.935 nan 8.190 nan 0.000 0.473 101 E N 4.249 124.393 120.200 -0.094 0.000 2.289 101 E HA 0.257 4.607 4.350 -0.000 0.000 0.278 101 E C -2.414 174.200 176.600 0.022 0.000 1.032 101 E CA -2.075 54.312 56.400 -0.022 0.000 0.854 101 E CB 1.180 30.871 29.700 -0.014 0.000 1.046 101 E HN 0.329 nan 8.360 nan 0.000 0.409 102 P HA -0.032 nan 4.420 nan 0.000 0.263 102 P C 0.258 177.589 177.300 0.051 0.000 1.175 102 P CA 1.149 64.289 63.100 0.066 0.000 0.761 102 P CB 0.508 32.265 31.700 0.095 0.000 0.794 103 G N 1.624 110.450 108.800 0.043 0.000 2.175 103 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.265 103 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.265 103 G C -0.006 174.907 174.900 0.022 0.000 0.979 103 G CA 0.284 45.404 45.100 0.033 0.000 0.663 103 G HN 0.567 nan 8.290 nan 0.000 0.533 104 K N -0.270 120.138 120.400 0.015 0.000 2.477 104 K HA 0.376 4.696 4.320 -0.000 0.000 0.255 104 K C -0.395 176.198 176.600 -0.013 0.000 0.952 104 K CA -1.134 55.157 56.287 0.005 0.000 0.826 104 K CB 1.057 33.565 32.500 0.014 0.000 1.331 104 K HN 0.059 nan 8.250 nan 0.000 0.437 105 N N 0.750 119.440 118.700 -0.016 0.000 2.479 105 N HA 0.052 4.792 4.740 -0.000 0.000 0.257 105 N C -0.231 175.251 175.510 -0.046 0.000 1.232 105 N CA -0.098 52.935 53.050 -0.029 0.000 0.920 105 N CB 0.702 39.175 38.487 -0.024 0.000 1.105 105 N HN 0.176 nan 8.380 nan 0.000 0.444 106 V N 1.753 121.633 119.914 -0.057 0.000 2.740 106 V HA 0.060 4.180 4.120 -0.000 0.000 0.303 106 V C 0.633 176.682 176.094 -0.075 0.000 1.054 106 V CA 0.343 62.596 62.300 -0.078 0.000 1.106 106 V CB 0.185 31.963 31.823 -0.074 0.000 0.957 106 V HN 0.738 nan 8.190 nan 0.000 0.486 107 K N 2.658 122.998 120.400 -0.099 0.000 2.536 107 K HA 0.582 4.902 4.320 -0.000 0.000 0.269 107 K C -1.290 175.250 176.600 -0.100 0.000 0.965 107 K CA -1.011 55.229 56.287 -0.078 0.000 0.860 107 K CB 1.797 34.264 32.500 -0.054 0.000 1.423 107 K HN 0.384 nan 8.250 nan 0.000 0.438 108 N N 0.569 119.229 118.700 -0.067 0.000 2.430 108 N HA 0.447 5.187 4.740 -0.000 0.000 0.292 108 N C -1.423 174.064 175.510 -0.038 0.000 1.051 108 N CA -0.622 52.390 53.050 -0.064 0.000 0.917 108 N CB 1.997 40.457 38.487 -0.045 0.000 1.164 108 N HN 0.533 nan 8.380 nan 0.000 0.484 109 V N 0.045 119.938 119.914 -0.034 0.000 2.577 109 V HA 0.683 4.803 4.120 -0.000 0.000 0.303 109 V C -0.260 175.837 176.094 0.005 0.000 1.042 109 V CA -1.116 61.192 62.300 0.014 0.000 0.872 109 V CB 1.525 33.401 31.823 0.089 0.000 0.998 109 V HN 0.697 nan 8.190 nan 0.000 0.423 110 R N 2.249 122.754 120.500 0.008 0.000 2.573 110 R HA 0.905 5.245 4.340 -0.000 0.000 0.272 110 R C -0.449 175.851 176.300 0.000 0.000 1.009 110 R CA -0.314 55.786 56.100 -0.000 0.000 1.059 110 R CB 1.939 32.241 30.300 0.003 0.000 1.112 110 R HN 0.775 nan 8.270 nan 0.000 0.517 111 T N 0.101 114.645 114.554 -0.017 0.000 2.830 111 T HA 0.222 4.572 4.350 -0.000 0.000 0.322 111 T C -1.819 172.849 174.700 -0.054 0.000 1.501 111 T CA -0.897 61.185 62.100 -0.029 0.000 1.036 111 T CB 1.509 70.355 68.868 -0.038 0.000 1.379 111 T HN 0.608 nan 8.240 nan 0.000 0.493 112 K N 3.885 124.260 120.400 -0.042 0.000 2.264 112 K HA 0.580 4.900 4.320 -0.000 0.000 0.277 112 K C -2.548 173.977 176.600 -0.126 0.000 1.067 112 K CA -1.894 54.375 56.287 -0.029 0.000 0.900 112 K CB 0.702 33.220 32.500 0.030 0.000 1.124 112 K HN 0.273 nan 8.250 nan 0.000 0.469 113 P HA 0.181 nan 4.420 nan 0.000 0.269 113 P C -0.219 176.886 177.300 -0.325 0.000 1.215 113 P CA -0.335 62.417 63.100 -0.579 0.000 0.780 113 P CB 1.141 31.954 31.700 -1.478 0.000 0.898 114 G N -0.108 108.534 108.800 -0.264 0.000 3.122 114 G HA2 0.679 4.639 3.960 -0.000 0.000 0.180 114 G HA3 0.679 4.639 3.960 -0.000 0.000 0.180 114 G C -0.917 173.945 174.900 -0.063 0.000 1.279 114 G CA -0.549 44.509 45.100 -0.070 0.000 0.987 114 G HN 0.528 nan 8.290 nan 0.000 0.589 115 V N -3.507 116.414 119.914 0.012 0.000 3.114 115 V HA 0.778 4.898 4.120 -0.000 0.000 0.308 115 V C -1.546 174.639 176.094 0.151 0.000 1.168 115 V CA -1.272 61.060 62.300 0.054 0.000 1.015 115 V CB 1.970 33.888 31.823 0.158 0.000 1.050 115 V HN 0.423 nan 8.190 nan 0.000 0.433 116 F N 1.586 121.556 119.950 0.034 0.000 2.427 116 F HA 0.649 5.176 4.527 -0.000 0.000 0.346 116 F C 0.471 176.287 175.800 0.028 0.000 1.120 116 F CA -1.464 56.545 58.000 0.014 0.000 1.033 116 F CB 1.846 40.847 39.000 0.001 0.000 1.126 116 F HN 0.531 nan 8.300 nan 0.000 0.462 117 K N 2.522 123.041 120.400 0.198 0.000 2.263 117 K HA 0.398 4.718 4.320 -0.000 0.000 0.282 117 K C -0.033 176.608 176.600 0.067 0.000 1.089 117 K CA -0.199 56.155 56.287 0.111 0.000 0.907 117 K CB 0.881 33.428 32.500 0.078 0.000 1.148 117 K HN 0.493 nan 8.250 nan 0.000 0.470 118 T N 3.432 118.029 114.554 0.072 0.000 2.929 118 T HA 0.200 4.550 4.350 -0.000 0.000 0.284 118 T C -1.336 173.382 174.700 0.029 0.000 1.014 118 T CA -1.680 60.445 62.100 0.042 0.000 1.051 118 T CB 1.323 70.227 68.868 0.061 0.000 1.028 118 T HN 0.404 nan 8.240 nan 0.000 0.485 119 P HA -0.030 nan 4.420 nan 0.000 0.222 119 P C 0.623 177.932 177.300 0.015 0.000 1.147 119 P CA 0.956 64.062 63.100 0.010 0.000 0.790 119 P CB 0.435 32.136 31.700 0.001 0.000 0.780 120 E N 0.008 120.220 120.200 0.020 0.000 2.419 120 E HA 0.316 4.666 4.350 -0.000 0.000 0.190 120 E C 1.221 177.840 176.600 0.031 0.000 1.040 120 E CA 0.174 56.587 56.400 0.022 0.000 0.900 120 E CB 0.272 29.984 29.700 0.020 0.000 1.054 120 E HN 0.296 nan 8.360 nan 0.000 0.462 121 G N 0.813 109.636 108.800 0.038 0.000 2.280 121 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.277 121 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.277 121 G C -1.157 173.784 174.900 0.069 0.000 1.288 121 G CA -0.951 44.176 45.100 0.046 0.000 1.075 121 G HN 0.091 nan 8.290 nan 0.000 0.480 122 E N -0.620 119.627 120.200 0.080 0.000 2.207 122 E HA 0.689 5.039 4.350 -0.000 0.000 0.270 122 E C -0.585 176.095 176.600 0.133 0.000 0.927 122 E CA -0.696 55.772 56.400 0.113 0.000 0.799 122 E CB 2.245 32.011 29.700 0.110 0.000 1.172 122 E HN 0.479 nan 8.360 nan 0.000 0.404 123 I N 1.058 121.723 120.570 0.159 0.000 2.533 123 I HA 0.316 4.486 4.170 -0.000 0.000 0.290 123 I C 0.519 176.682 176.117 0.077 0.000 1.056 123 I CA -1.028 60.355 61.300 0.139 0.000 1.057 123 I CB 2.019 40.106 38.000 0.145 0.000 1.240 123 I HN 0.542 nan 8.210 nan 0.000 0.423 124 G N 4.025 112.894 108.800 0.115 0.000 2.414 124 G HA2 0.446 4.406 3.960 -0.000 0.000 0.236 124 G HA3 0.446 4.406 3.960 -0.000 0.000 0.236 124 G C -0.388 174.306 174.900 -0.342 0.000 1.293 124 G CA -0.051 45.010 45.100 -0.065 0.000 0.869 124 G HN 0.834 nan 8.290 nan 0.000 0.556 125 A N 1.574 124.094 122.820 -0.499 0.000 2.402 125 A HA 0.624 4.944 4.320 -0.000 0.000 0.291 125 A C -0.295 177.013 177.584 -0.460 0.000 1.051 125 A CA -0.403 51.235 52.037 -0.665 0.000 0.716 125 A CB 1.560 19.869 19.000 -1.152 0.000 1.223 125 A HN 1.992 nan 8.150 nan 0.000 0.425 126 V N 0.502 120.215 119.914 -0.334 0.000 2.427 126 V HA 0.733 4.853 4.120 -0.000 0.000 0.286 126 V C 0.035 176.070 176.094 -0.099 0.000 1.034 126 V CA -0.267 61.919 62.300 -0.190 0.000 0.893 126 V CB 1.203 32.969 31.823 -0.096 0.000 0.982 126 V HN 0.706 nan 8.190 nan 0.000 0.452 127 T N 7.598 122.111 114.554 -0.068 0.000 3.414 127 T HA 0.553 4.903 4.350 -0.000 0.000 0.304 127 T C -0.256 174.464 174.700 0.033 0.000 1.241 127 T CA 0.181 62.270 62.100 -0.020 0.000 1.076 127 T CB -0.956 67.898 68.868 -0.023 0.000 1.134 127 T HN 0.585 nan 8.240 nan 0.000 0.759 128 L N 2.277 123.578 121.223 0.130 0.000 2.409 128 L HA 0.498 4.838 4.340 -0.000 0.000 0.272 128 L C -0.469 176.539 176.870 0.228 0.000 0.980 128 L CA -0.933 53.980 54.840 0.123 0.000 0.826 128 L CB 2.256 44.456 42.059 0.235 0.000 1.268 128 L HN 0.285 nan 8.230 nan 0.000 0.407 129 D N 3.104 123.431 120.400 -0.121 0.000 2.460 129 D HA 0.434 5.074 4.640 -0.000 0.000 0.232 129 D C -1.432 174.629 176.300 -0.399 0.000 1.079 129 D CA -0.076 53.905 54.000 -0.032 0.000 0.864 129 D CB 0.776 41.549 40.800 -0.045 0.000 1.048 129 D HN 0.091 nan 8.370 nan 0.000 0.523 130 F N 2.564 122.637 119.950 0.205 0.000 2.551 130 F HA 0.413 4.941 4.527 0.000 0.000 0.316 130 F C -1.708 174.150 175.800 0.096 0.000 1.089 130 F CA -1.967 56.090 58.000 0.095 0.000 0.915 130 F CB 1.454 40.444 39.000 -0.017 0.000 1.186 130 F HN 0.123 nan 8.300 nan 0.000 0.456 131 P HA 0.006 nan 4.420 nan 0.000 0.269 131 P C -0.332 177.040 177.300 0.120 0.000 1.205 131 P CA -0.004 63.170 63.100 0.122 0.000 0.780 131 P CB 0.247 32.014 31.700 0.113 0.000 0.858 132 T N 1.523 116.110 114.554 0.054 0.000 2.933 132 T HA 0.292 4.642 4.350 -0.000 0.000 0.306 132 T C 1.403 176.166 174.700 0.106 0.000 1.045 132 T CA 1.578 63.709 62.100 0.052 0.000 1.143 132 T CB -0.364 68.513 68.868 0.016 0.000 1.003 132 T HN 0.845 nan 8.240 nan 0.000 0.540 133 G N 2.671 111.555 108.800 0.139 0.000 2.213 133 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.226 133 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.226 133 G C 1.010 176.015 174.900 0.175 0.000 0.992 133 G CA 0.311 45.509 45.100 0.164 0.000 0.632 133 G HN 0.717 nan 8.290 nan 0.000 0.511 134 T N 1.611 116.289 114.554 0.207 0.000 3.067 134 T HA 0.294 4.644 4.350 -0.000 0.000 0.261 134 T C 1.436 176.328 174.700 0.320 0.000 1.110 134 T CA 0.936 63.167 62.100 0.218 0.000 1.113 134 T CB 0.083 69.090 68.868 0.232 0.000 0.917 134 T HN 0.447 nan 8.240 nan 0.000 0.499 135 S N 0.787 116.698 115.700 0.351 0.000 2.552 135 S HA 0.385 4.855 4.470 -0.000 0.000 0.289 135 S C 1.583 176.337 174.600 0.256 0.000 1.304 135 S CA 0.598 59.012 58.200 0.356 0.000 1.063 135 S CB 0.418 63.877 63.200 0.432 0.000 0.848 135 S HN 0.692 nan 8.310 nan 0.000 0.499 136 G N 2.318 111.252 108.800 0.223 0.000 2.238 136 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 136 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 136 G C 0.196 175.177 174.900 0.135 0.000 0.996 136 G CA -0.105 45.080 45.100 0.141 0.000 0.632 136 G HN 0.725 nan 8.290 nan 0.000 0.503 137 S N 3.999 119.802 115.700 0.172 0.000 2.544 137 S HA 0.417 4.887 4.470 -0.000 0.000 0.290 137 S C -1.575 173.083 174.600 0.096 0.000 1.276 137 S CA 0.141 58.397 58.200 0.093 0.000 1.075 137 S CB 1.275 64.482 63.200 0.012 0.000 0.849 137 S HN 0.524 nan 8.310 nan 0.000 0.494 138 P HA 0.357 nan 4.420 nan 0.000 0.277 138 P C -0.824 176.490 177.300 0.023 0.000 1.240 138 P CA -0.371 62.752 63.100 0.039 0.000 0.798 138 P CB 0.664 32.370 31.700 0.009 0.000 0.979 139 I N 1.792 122.384 120.570 0.036 0.000 2.465 139 I HA 0.368 4.538 4.170 -0.000 0.000 0.291 139 I C 0.377 176.502 176.117 0.013 0.000 1.014 139 I CA -1.060 60.251 61.300 0.018 0.000 1.093 139 I CB 2.129 40.149 38.000 0.034 0.000 1.267 139 I HN 0.164 nan 8.210 nan 0.000 0.431 140 V N 1.362 121.275 119.914 -0.003 0.000 3.001 140 V HA 0.692 4.812 4.120 -0.000 0.000 0.314 140 V C -0.869 175.231 176.094 0.010 0.000 1.099 140 V CA -0.757 61.541 62.300 -0.004 0.000 0.989 140 V CB 1.926 33.735 31.823 -0.024 0.000 1.040 140 V HN 0.762 nan 8.190 nan 0.000 0.434 141 D N 0.991 121.399 120.400 0.012 0.000 2.478 141 D HA 0.347 4.987 4.640 -0.000 0.000 0.263 141 D C 0.686 176.992 176.300 0.009 0.000 1.153 141 D CA -0.719 53.305 54.000 0.039 0.000 1.038 141 D CB 0.892 41.727 40.800 0.057 0.000 1.120 141 D HN 0.548 nan 8.370 nan 0.000 0.564 142 K N -0.789 119.624 120.400 0.022 0.000 2.281 142 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 142 K C 0.919 177.511 176.600 -0.014 0.000 1.046 142 K CA 0.887 57.179 56.287 0.007 0.000 0.938 142 K CB -0.238 32.273 32.500 0.018 0.000 0.737 142 K HN 0.341 nan 8.250 nan 0.000 0.458 143 N N 0.008 118.689 118.700 -0.031 0.000 2.461 143 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 143 N C 0.930 176.398 175.510 -0.071 0.000 1.134 143 N CA 0.980 53.999 53.050 -0.052 0.000 0.878 143 N CB 0.910 39.354 38.487 -0.071 0.000 0.972 143 N HN 0.382 nan 8.380 nan 0.000 0.456 144 G N 0.879 109.640 108.800 -0.065 0.000 2.143 144 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.249 144 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.249 144 G C -0.549 174.292 174.900 -0.099 0.000 0.981 144 G CA -0.106 44.955 45.100 -0.066 0.000 0.665 144 G HN 0.252 nan 8.290 nan 0.000 0.528 145 D N -0.124 120.180 120.400 -0.161 0.000 2.264 145 D HA 0.432 5.072 4.640 -0.000 0.000 0.249 145 D C 0.702 176.930 176.300 -0.119 0.000 1.070 145 D CA -0.305 53.551 54.000 -0.239 0.000 0.912 145 D CB 1.891 42.298 40.800 -0.654 0.000 1.193 145 D HN 0.041 nan 8.370 nan 0.000 0.427 146 V N 3.257 123.128 119.914 -0.072 0.000 2.415 146 V HA 0.026 4.146 4.120 -0.000 0.000 0.267 146 V C 1.573 177.700 176.094 0.056 0.000 1.042 146 V CA 0.021 62.308 62.300 -0.022 0.000 1.000 146 V CB 0.123 31.901 31.823 -0.075 0.000 1.015 146 V HN 0.447 nan 8.190 nan 0.000 0.478 147 I N 2.135 122.755 120.570 0.082 0.000 3.860 147 I HA 0.653 4.823 4.170 -0.000 0.000 0.319 147 I C 0.807 177.019 176.117 0.158 0.000 1.279 147 I CA 0.437 61.826 61.300 0.149 0.000 1.220 147 I CB 0.257 38.356 38.000 0.164 0.000 1.027 147 I HN 0.637 nan 8.210 nan 0.000 0.428 148 G N 1.191 110.072 108.800 0.136 0.000 2.315 148 G HA2 0.433 4.393 3.960 -0.000 0.000 0.294 148 G HA3 0.433 4.393 3.960 -0.000 0.000 0.294 148 G C -1.808 173.184 174.900 0.154 0.000 1.300 148 G CA -0.870 44.331 45.100 0.168 0.000 0.843 148 G HN 0.083 nan 8.290 nan 0.000 0.527 149 L N -0.257 121.075 121.223 0.183 0.000 2.341 149 L HA 0.634 4.974 4.340 -0.000 0.000 0.267 149 L C -0.820 176.180 176.870 0.215 0.000 1.009 149 L CA -1.124 53.831 54.840 0.191 0.000 0.819 149 L CB 2.343 44.529 42.059 0.211 0.000 1.323 149 L HN 0.704 nan 8.230 nan 0.000 0.425 150 Y N -0.061 120.304 120.300 0.108 0.000 2.376 150 Y HA 0.643 5.193 4.550 -0.000 0.000 0.325 150 Y C 0.744 176.766 175.900 0.204 0.000 1.199 150 Y CA 0.621 58.807 58.100 0.142 0.000 1.206 150 Y CB 1.837 40.378 38.460 0.135 0.000 1.229 150 Y HN 0.675 nan 8.280 nan 0.000 0.480 151 G N 3.265 111.786 108.800 -0.464 0.000 2.485 151 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.181 151 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.181 151 G C -0.972 174.018 174.900 0.149 0.000 0.999 151 G CA -0.243 44.782 45.100 -0.126 0.000 0.721 151 G HN 0.705 nan 8.290 nan 0.000 0.486 152 N N 0.442 119.217 118.700 0.126 0.000 2.540 152 N HA 0.649 5.389 4.740 -0.000 0.000 0.275 152 N C 0.353 175.964 175.510 0.167 0.000 1.053 152 N CA 0.793 53.971 53.050 0.213 0.000 0.876 152 N CB 1.314 39.926 38.487 0.209 0.000 1.284 152 N HN 0.732 nan 8.380 nan 0.000 0.518 153 G N 0.429 109.342 108.800 0.188 0.000 2.726 153 G HA2 0.525 4.485 3.960 -0.000 0.000 0.198 153 G HA3 0.525 4.485 3.960 -0.000 0.000 0.198 153 G C -1.389 173.549 174.900 0.062 0.000 1.195 153 G CA 0.080 45.246 45.100 0.109 0.000 0.951 153 G HN 0.719 nan 8.290 nan 0.000 0.532 154 V N -1.904 117.985 119.914 -0.042 0.000 3.102 154 V HA 0.836 4.956 4.120 -0.000 0.000 0.312 154 V C -0.812 175.327 176.094 0.076 0.000 1.135 154 V CA -1.182 61.116 62.300 -0.003 0.000 1.022 154 V CB 1.897 33.641 31.823 -0.133 0.000 1.056 154 V HN 0.692 nan 8.190 nan 0.000 0.436 155 I N 3.828 124.476 120.570 0.130 0.000 2.354 155 I HA 0.392 4.562 4.170 -0.000 0.000 0.286 155 I C 0.068 176.229 176.117 0.074 0.000 1.007 155 I CA -0.496 60.901 61.300 0.162 0.000 1.167 155 I CB 1.682 39.779 38.000 0.161 0.000 1.320 155 I HN 0.531 nan 8.210 nan 0.000 0.458 156 M N 7.073 126.712 119.600 0.065 0.000 2.207 156 M HA 0.194 4.674 4.480 -0.000 0.000 0.311 156 M C -1.355 174.965 176.300 0.034 0.000 1.127 156 M CA -1.957 53.366 55.300 0.038 0.000 1.181 156 M CB -0.345 32.279 32.600 0.040 0.000 1.409 156 M HN 0.181 nan 8.290 nan 0.000 0.461 157 P HA -0.141 nan 4.420 nan 0.000 0.219 157 P C 0.588 177.900 177.300 0.020 0.000 1.146 157 P CA 1.268 64.378 63.100 0.017 0.000 0.808 157 P CB -0.061 31.646 31.700 0.011 0.000 0.779 158 N N -1.328 117.386 118.700 0.023 0.000 2.521 158 N HA 0.040 4.780 4.740 -0.000 0.000 0.188 158 N C 1.260 176.786 175.510 0.027 0.000 1.146 158 N CA 0.988 54.051 53.050 0.022 0.000 0.893 158 N CB -1.111 37.389 38.487 0.021 0.000 0.975 158 N HN 0.158 nan 8.380 nan 0.000 0.451 159 G N -0.746 108.075 108.800 0.036 0.000 2.199 159 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 159 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 159 G C 0.102 175.040 174.900 0.063 0.000 0.982 159 G CA 0.480 45.606 45.100 0.043 0.000 0.632 159 G HN 0.911 nan 8.290 nan 0.000 0.529 160 S N -0.311 115.429 115.700 0.066 0.000 2.565 160 S HA 0.627 5.097 4.470 -0.000 0.000 0.274 160 S C -0.222 174.467 174.600 0.149 0.000 1.309 160 S CA -0.632 57.620 58.200 0.087 0.000 1.043 160 S CB 1.921 65.153 63.200 0.053 0.000 0.939 160 S HN 1.046 nan 8.310 nan 0.000 0.504 161 Y N 2.643 122.964 120.300 0.036 0.000 2.310 161 Y HA 0.654 5.204 4.550 -0.000 0.000 0.326 161 Y C -0.593 175.364 175.900 0.095 0.000 1.151 161 Y CA -1.222 56.918 58.100 0.066 0.000 1.195 161 Y CB 0.699 39.203 38.460 0.073 0.000 1.210 161 Y HN 0.689 nan 8.280 nan 0.000 0.483 162 I N 5.159 125.409 120.570 -0.534 0.000 2.478 162 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 162 I C -0.742 175.007 176.117 -0.612 0.000 1.042 162 I CA -0.687 60.390 61.300 -0.372 0.000 1.067 162 I CB 1.841 39.821 38.000 -0.034 0.000 1.233 162 I HN 0.524 nan 8.210 nan 0.000 0.431 163 S N 4.609 120.012 115.700 -0.496 0.000 2.509 163 S HA 0.793 5.263 4.470 -0.000 0.000 0.297 163 S C -0.041 174.371 174.600 -0.313 0.000 1.118 163 S CA -0.413 57.565 58.200 -0.371 0.000 1.074 163 S CB 1.402 64.415 63.200 -0.312 0.000 1.038 163 S HN 0.671 nan 8.310 nan 0.000 0.498 164 A N 4.044 126.742 122.820 -0.203 0.000 2.332 164 A HA 0.539 4.859 4.320 -0.000 0.000 0.258 164 A C 0.112 177.632 177.584 -0.107 0.000 1.087 164 A CA -0.522 51.352 52.037 -0.271 0.000 0.802 164 A CB -0.038 18.977 19.000 0.025 0.000 1.042 164 A HN 0.890 nan 8.150 nan 0.000 0.489 165 I N 2.222 122.733 120.570 -0.098 0.000 2.260 165 I HA 0.080 4.249 4.170 -0.000 0.000 0.297 165 I C -0.389 175.762 176.117 0.056 0.000 1.143 165 I CA -0.247 61.048 61.300 -0.008 0.000 1.271 165 I CB 0.298 38.279 38.000 -0.033 0.000 1.461 165 I HN 0.232 nan 8.210 nan 0.000 0.530 166 V N 6.343 126.310 119.914 0.087 0.000 2.485 166 V HA 0.076 4.196 4.120 -0.000 0.000 0.287 166 V C 0.146 176.326 176.094 0.144 0.000 1.022 166 V CA 0.315 62.679 62.300 0.106 0.000 1.067 166 V CB 0.712 32.604 31.823 0.114 0.000 0.967 166 V HN 0.741 nan 8.190 nan 0.000 0.479 167 Q N 3.875 123.738 119.800 0.104 0.000 2.472 167 Q HA 0.703 5.043 4.340 -0.000 0.000 0.281 167 Q C -0.613 175.377 176.000 -0.018 0.000 0.997 167 Q CA 0.143 56.028 55.803 0.136 0.000 0.828 167 Q CB 2.212 31.058 28.738 0.180 0.000 1.443 167 Q HN 0.799 nan 8.270 nan 0.000 0.390 168 G N 1.327 110.049 108.800 -0.129 0.000 2.818 168 G HA2 0.631 4.591 3.960 -0.000 0.000 0.286 168 G HA3 0.631 4.591 3.960 -0.000 0.000 0.286 168 G C -1.410 173.428 174.900 -0.103 0.000 1.364 168 G CA -0.786 44.121 45.100 -0.322 0.000 0.938 168 G HN 0.526 nan 8.290 nan 0.000 0.490 169 K N -0.087 120.245 120.400 -0.113 0.000 2.118 169 K HA 0.381 4.701 4.320 -0.000 0.000 0.267 169 K C 0.570 177.235 176.600 0.109 0.000 0.991 169 K CA -0.685 55.614 56.287 0.021 0.000 0.916 169 K CB 1.141 33.628 32.500 -0.022 0.000 1.041 169 K HN 0.473 nan 8.250 nan 0.000 0.455 170 R N 3.522 124.115 120.500 0.156 0.000 2.538 170 R HA 0.005 4.345 4.340 -0.000 0.000 0.282 170 R C -0.561 175.775 176.300 0.061 0.000 1.009 170 R CA 0.450 56.643 56.100 0.156 0.000 1.063 170 R CB 0.368 30.706 30.300 0.063 0.000 0.945 170 R HN 0.554 nan 8.270 nan 0.000 0.414 171 M N 2.990 122.626 119.600 0.059 0.000 2.367 171 M HA 0.181 4.661 4.480 -0.000 0.000 0.339 171 M C -0.335 175.973 176.300 0.013 0.000 1.177 171 M CA -0.560 54.737 55.300 -0.005 0.000 1.068 171 M CB 1.602 34.175 32.600 -0.045 0.000 1.602 171 M HN 0.572 nan 8.290 nan 0.000 0.457 172 D N 1.422 121.830 120.400 0.014 0.000 2.358 172 D HA 0.132 4.772 4.640 -0.000 0.000 0.244 172 D C -0.118 176.200 176.300 0.030 0.000 1.163 172 D CA 0.075 54.085 54.000 0.017 0.000 0.945 172 D CB 0.750 41.562 40.800 0.019 0.000 1.152 172 D HN 0.334 nan 8.370 nan 0.000 0.451 173 E N 0.745 120.955 120.200 0.017 0.000 2.390 173 E HA 0.180 4.530 4.350 -0.000 0.000 0.261 173 E C -2.023 174.618 176.600 0.068 0.000 1.076 173 E CA -1.346 55.066 56.400 0.020 0.000 0.905 173 E CB -0.222 29.479 29.700 0.002 0.000 0.984 173 E HN 0.199 nan 8.360 nan 0.000 0.427 174 P HA 0.035 nan 4.420 nan 0.000 0.261 174 P C -0.173 177.177 177.300 0.083 0.000 1.183 174 P CA 0.512 63.694 63.100 0.136 0.000 0.761 174 P CB 0.360 32.171 31.700 0.184 0.000 0.785 175 I N 0.000 120.612 120.570 0.071 0.000 2.984 175 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 175 I CA 0.000 61.330 61.300 0.050 0.000 1.566 175 I CB 0.000 38.023 38.000 0.039 0.000 1.214 175 I HN 0.000 nan 8.210 nan 0.000 0.494