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 3lfr_1_A DATA FIRST_RESID 61 DATA SEQUENCE LQVRDIXVPR SQXISIKATQ TPREFLPAVI DAAHSRYPVI GESHDDVLGV DATA SEQUENCE LLAKDLLPLI LKADGDSDDV KKLLRPATFV PESKRLNVLL REFRANHNHX DATA SEQUENCE AIVIDEYGGV AGLVTIEDVL EQI 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 61 L HA 0.000 nan 4.340 nan 0.000 0.249 61 L C 0.000 176.866 176.870 -0.007 0.000 1.165 61 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 61 L CB 0.000 42.059 42.059 0.000 0.000 0.961 62 Q N -0.120 119.677 119.800 -0.006 0.000 2.351 62 Q HA 0.397 4.735 4.340 -0.003 0.000 0.273 62 Q C 0.842 176.839 176.000 -0.004 0.000 1.077 62 Q CA -0.629 55.169 55.803 -0.009 0.000 0.843 62 Q CB 2.779 31.511 28.738 -0.011 0.000 1.367 62 Q HN 0.580 nan 8.270 nan 0.000 0.449 63 V N -0.367 119.543 119.914 -0.007 0.000 2.392 63 V HA -0.342 3.776 4.120 -0.003 0.000 0.249 63 V C 1.901 178.000 176.094 0.008 0.000 1.059 63 V CA 2.185 64.486 62.300 0.002 0.000 1.051 63 V CB -0.960 30.860 31.823 -0.005 0.000 0.658 63 V HN 0.833 nan 8.190 nan 0.000 0.455 64 R N 0.829 121.332 120.500 0.005 0.000 2.159 64 R HA -0.144 4.194 4.340 -0.003 0.000 0.237 64 R C 1.701 178.006 176.300 0.008 0.000 1.131 64 R CA 2.005 58.110 56.100 0.008 0.000 0.982 64 R CB -1.016 29.288 30.300 0.006 0.000 0.868 64 R HN 0.484 nan 8.270 nan 0.000 0.453 65 D N 1.219 121.623 120.400 0.006 0.000 2.234 65 D HA 0.056 4.694 4.640 -0.003 0.000 0.205 65 D C 1.265 177.569 176.300 0.008 0.000 0.962 65 D CA 1.160 55.163 54.000 0.006 0.000 0.855 65 D CB 0.109 40.912 40.800 0.005 0.000 0.951 65 D HN 0.476 nan 8.370 nan 0.000 0.500 69 P HA 0.230 nan 4.420 nan 0.000 0.269 69 P C 0.892 178.172 177.300 -0.033 0.000 1.215 69 P CA -0.237 62.854 63.100 -0.014 0.000 0.780 69 P CB 0.848 32.542 31.700 -0.009 0.000 0.898 70 R N 2.182 122.665 120.500 -0.028 0.000 2.134 70 R HA -0.240 4.098 4.340 -0.003 0.000 0.248 70 R C 1.993 178.208 176.300 -0.142 0.000 1.143 70 R CA 2.770 58.835 56.100 -0.059 0.000 0.957 70 R CB -0.926 29.367 30.300 -0.012 0.000 0.867 70 R HN 0.621 nan 8.270 nan 0.000 0.441 71 S N -0.304 115.337 115.700 -0.099 0.000 2.419 71 S HA -0.152 4.316 4.470 -0.003 0.000 0.233 71 S C 0.787 175.324 174.600 -0.104 0.000 1.016 71 S CA 0.630 58.764 58.200 -0.111 0.000 0.974 71 S CB -0.065 63.110 63.200 -0.041 0.000 0.786 71 S HN 0.485 nan 8.310 nan 0.000 0.492 75 S N 5.895 121.707 115.700 0.187 0.000 2.648 75 S HA 0.827 5.295 4.470 -0.003 0.000 0.305 75 S C -0.239 174.399 174.600 0.064 0.000 1.094 75 S CA -0.694 57.601 58.200 0.159 0.000 0.983 75 S CB 2.825 66.141 63.200 0.193 0.000 1.101 75 S HN 0.417 nan 8.310 nan 0.000 0.514 76 I N 1.631 122.182 120.570 -0.032 0.000 2.433 76 I HA 0.472 4.640 4.170 -0.003 0.000 0.292 76 I C 0.361 176.418 176.117 -0.101 0.000 1.001 76 I CA -0.761 60.432 61.300 -0.177 0.000 1.119 76 I CB 1.402 39.102 38.000 -0.499 0.000 1.289 76 I HN 0.647 nan 8.210 nan 0.000 0.438 77 K N 3.972 124.339 120.400 -0.054 0.000 2.339 77 K HA 0.555 4.873 4.320 -0.003 0.000 0.286 77 K C 0.922 177.509 176.600 -0.023 0.000 1.050 77 K CA 0.255 56.528 56.287 -0.024 0.000 0.956 77 K CB 0.831 33.330 32.500 -0.001 0.000 0.990 77 K HN 0.844 nan 8.250 nan 0.000 0.475 78 A N 1.742 124.552 122.820 -0.017 0.000 2.070 78 A HA -0.102 4.216 4.320 -0.003 0.000 0.220 78 A C 2.174 179.775 177.584 0.029 0.000 1.159 78 A CA 2.331 54.365 52.037 -0.004 0.000 0.656 78 A CB -0.759 18.242 19.000 0.003 0.000 0.800 78 A HN 1.131 nan 8.150 nan 0.000 0.453 79 T N -2.468 112.105 114.554 0.031 0.000 3.113 79 T HA 0.094 4.442 4.350 -0.003 0.000 0.256 79 T C 0.724 175.465 174.700 0.068 0.000 1.131 79 T CA 0.233 62.357 62.100 0.041 0.000 1.074 79 T CB -0.195 68.688 68.868 0.025 0.000 0.944 79 T HN 0.560 nan 8.240 nan 0.000 0.516 80 Q N 2.624 122.490 119.800 0.110 0.000 2.243 80 Q HA 0.409 4.747 4.340 -0.003 0.000 0.252 80 Q C 0.209 176.364 176.000 0.258 0.000 0.909 80 Q CA -0.584 55.325 55.803 0.176 0.000 0.922 80 Q CB 1.400 30.293 28.738 0.257 0.000 1.215 80 Q HN 0.524 nan 8.270 nan 0.000 0.427 81 T N -1.030 113.594 114.554 0.117 0.000 2.849 81 T HA 0.194 4.542 4.350 -0.003 0.000 0.284 81 T C -1.975 172.526 174.700 -0.332 0.000 1.004 81 T CA -1.782 60.326 62.100 0.013 0.000 1.021 81 T CB 0.753 69.593 68.868 -0.046 0.000 1.013 81 T HN 0.258 nan 8.240 nan 0.000 0.527 82 P HA -0.090 nan 4.420 nan 0.000 0.218 82 P C 1.659 178.520 177.300 -0.732 0.000 1.148 82 P CA 0.894 63.240 63.100 -1.255 0.000 0.822 82 P CB -0.002 31.339 31.700 -0.598 0.000 0.784 83 R N 0.366 120.642 120.500 -0.373 0.000 2.117 83 R HA -0.194 4.144 4.340 -0.003 0.000 0.243 83 R C 1.790 177.970 176.300 -0.201 0.000 1.143 83 R CA 1.743 57.706 56.100 -0.229 0.000 0.968 83 R CB -0.234 29.985 30.300 -0.136 0.000 0.863 83 R HN 0.258 nan 8.270 nan 0.000 0.444 84 E N -0.759 119.324 120.200 -0.196 0.000 2.102 84 E HA -0.098 4.250 4.350 -0.003 0.000 0.190 84 E C 1.626 178.209 176.600 -0.029 0.000 0.971 84 E CA 1.062 57.416 56.400 -0.077 0.000 0.821 84 E CB -0.065 29.631 29.700 -0.005 0.000 0.777 84 E HN 0.481 nan 8.360 nan 0.000 0.460 85 F N -0.190 119.734 119.950 -0.044 0.000 2.619 85 F HA 0.238 4.765 4.527 -0.001 0.000 0.293 85 F C 1.654 177.401 175.800 -0.089 0.000 1.119 85 F CA 0.113 58.073 58.000 -0.067 0.000 1.445 85 F CB -0.461 38.490 39.000 -0.083 0.000 1.119 85 F HN -0.150 nan 8.300 nan 0.000 0.573 86 L N 0.692 121.779 121.223 -0.227 0.000 2.083 86 L HA -0.069 4.269 4.340 -0.003 0.000 0.209 86 L C -0.328 176.530 176.870 -0.020 0.000 1.083 86 L CA 1.277 56.058 54.840 -0.097 0.000 0.752 86 L CB -1.815 40.110 42.059 -0.224 0.000 0.899 86 L HN 0.104 nan 8.230 nan 0.000 0.433 87 P HA -0.208 nan 4.420 nan 0.000 0.216 87 P C 1.410 178.717 177.300 0.012 0.000 1.153 87 P CA 1.886 64.980 63.100 -0.010 0.000 0.858 87 P CB 0.011 31.703 31.700 -0.013 0.000 0.789 88 A N -0.982 121.855 122.820 0.029 0.000 1.968 88 A HA -0.107 4.211 4.320 -0.003 0.000 0.217 88 A C 2.310 179.909 177.584 0.025 0.000 1.169 88 A CA 1.399 53.456 52.037 0.035 0.000 0.638 88 A CB -1.563 17.464 19.000 0.046 0.000 0.812 88 A HN 0.014 nan 8.150 nan 0.000 0.446 89 V N 0.247 120.153 119.914 -0.013 0.000 2.307 89 V HA -0.257 3.861 4.120 -0.003 0.000 0.245 89 V C 2.409 178.529 176.094 0.044 0.000 1.045 89 V CA 2.047 64.284 62.300 -0.105 0.000 1.024 89 V CB -0.622 31.086 31.823 -0.192 0.000 0.651 89 V HN 0.578 nan 8.190 nan 0.000 0.449 90 I N 0.359 120.950 120.570 0.034 0.000 2.226 90 I HA -0.262 3.906 4.170 -0.003 0.000 0.245 90 I C 2.319 178.452 176.117 0.026 0.000 1.100 90 I CA 2.129 63.449 61.300 0.034 0.000 1.374 90 I CB -0.417 37.591 38.000 0.014 0.000 1.057 90 I HN 0.407 nan 8.210 nan 0.000 0.413 91 D N 0.916 121.329 120.400 0.021 0.000 2.117 91 D HA -0.188 4.450 4.640 -0.003 0.000 0.197 91 D C 2.167 178.465 176.300 -0.004 0.000 0.987 91 D CA 1.547 55.554 54.000 0.011 0.000 0.829 91 D CB 0.089 40.899 40.800 0.016 0.000 0.961 91 D HN 0.304 nan 8.370 nan 0.000 0.460 92 A N 0.262 123.096 122.820 0.024 0.000 1.929 92 A HA 0.321 4.639 4.320 -0.003 0.000 0.216 92 A C 1.789 179.236 177.584 -0.228 0.000 1.176 92 A CA 1.686 53.698 52.037 -0.042 0.000 0.628 92 A CB -0.707 18.405 19.000 0.186 0.000 0.816 92 A HN 0.864 nan 8.150 nan 0.000 0.444 93 A N -1.303 121.496 122.820 -0.036 0.000 2.860 93 A HA -0.188 4.130 4.320 -0.003 0.000 0.267 93 A C 0.283 177.799 177.584 -0.113 0.000 1.421 93 A CA 1.014 53.023 52.037 -0.047 0.000 0.831 93 A CB -2.769 16.184 19.000 -0.078 0.000 1.041 93 A HN 0.694 nan 8.150 nan 0.000 0.623 94 H N -0.325 118.772 119.070 0.046 0.000 2.547 94 H HA 0.395 4.949 4.556 -0.004 0.000 0.362 94 H C 1.632 176.842 175.328 -0.196 0.000 1.181 94 H CA 0.174 56.095 56.048 -0.212 0.000 1.376 94 H CB 1.149 30.564 29.762 -0.578 0.000 1.488 94 H HN 0.304 nan 8.280 nan 0.000 0.583 95 S N 0.983 116.632 115.700 -0.084 0.000 2.425 95 S HA 0.065 4.532 4.470 -0.003 0.000 0.225 95 S C 0.529 175.063 174.600 -0.111 0.000 1.024 95 S CA 0.702 58.854 58.200 -0.081 0.000 0.951 95 S CB 0.363 63.483 63.200 -0.134 0.000 0.796 95 S HN 0.439 nan 8.310 nan 0.000 0.498 96 R N -0.562 119.758 120.500 -0.299 0.000 2.651 96 R HA 0.546 4.884 4.340 -0.003 0.000 0.278 96 R C -1.973 174.028 176.300 -0.498 0.000 1.010 96 R CA -0.547 55.411 56.100 -0.237 0.000 0.896 96 R CB 1.569 31.773 30.300 -0.160 0.000 1.211 96 R HN 0.126 nan 8.270 nan 0.000 0.456 97 Y N 0.979 121.250 120.300 -0.049 0.000 2.386 97 Y HA 0.346 4.894 4.550 -0.003 0.000 0.334 97 Y C -2.291 173.569 175.900 -0.067 0.000 1.002 97 Y CA -2.640 55.425 58.100 -0.057 0.000 1.068 97 Y CB 2.097 40.520 38.460 -0.062 0.000 1.203 97 Y HN 0.383 nan 8.280 nan 0.000 0.443 98 P HA 0.067 nan 4.420 nan 0.000 0.268 98 P C -0.811 176.523 177.300 0.057 0.000 1.205 98 P CA -0.027 63.101 63.100 0.046 0.000 0.771 98 P CB 0.808 32.536 31.700 0.047 0.000 0.858 99 V N 4.826 124.756 119.914 0.027 0.000 2.417 99 V HA 0.410 4.528 4.120 -0.003 0.000 0.291 99 V C 0.509 176.620 176.094 0.029 0.000 1.024 99 V CA -0.499 61.799 62.300 -0.003 0.000 0.861 99 V CB 0.898 32.700 31.823 -0.036 0.000 0.985 99 V HN 0.401 nan 8.190 nan 0.000 0.436 100 I N 1.613 122.197 120.570 0.024 0.000 2.750 100 I HA 0.950 5.118 4.170 -0.003 0.000 0.308 100 I C 0.729 176.850 176.117 0.006 0.000 1.016 100 I CA -0.411 60.909 61.300 0.034 0.000 1.098 100 I CB 2.070 40.097 38.000 0.044 0.000 1.279 100 I HN 0.552 nan 8.210 nan 0.000 0.454 101 G N 1.870 110.674 108.800 0.007 0.000 2.756 101 G HA2 0.313 4.270 3.960 -0.003 0.000 0.203 101 G HA3 0.313 4.270 3.960 -0.003 0.000 0.203 101 G C 1.050 175.936 174.900 -0.023 0.000 2.015 101 G CA 0.676 45.775 45.100 -0.002 0.000 0.835 101 G HN 0.790 nan 8.290 nan 0.000 0.648 102 E N -0.690 119.497 120.200 -0.022 0.000 2.152 102 E HA 0.295 4.643 4.350 -0.003 0.000 0.192 102 E C 1.404 177.965 176.600 -0.065 0.000 0.983 102 E CA 1.549 57.929 56.400 -0.034 0.000 0.818 102 E CB -0.377 29.311 29.700 -0.020 0.000 0.758 102 E HN 1.057 nan 8.360 nan 0.000 0.467 103 S N -3.136 112.519 115.700 -0.075 0.000 2.672 103 S HA 0.383 4.851 4.470 -0.003 0.000 0.271 103 S C 0.366 174.900 174.600 -0.111 0.000 1.171 103 S CA 0.026 58.149 58.200 -0.129 0.000 0.817 103 S CB 0.401 63.570 63.200 -0.053 0.000 1.150 103 S HN 0.283 nan 8.310 nan 0.000 0.478 104 H N 0.168 119.255 119.070 0.029 0.000 2.518 104 H HA 0.054 4.608 4.556 -0.004 0.000 0.289 104 H C 0.659 176.015 175.328 0.047 0.000 1.051 104 H CA 1.393 57.464 56.048 0.038 0.000 1.280 104 H CB 0.040 29.823 29.762 0.035 0.000 1.380 104 H HN 0.512 nan 8.280 nan 0.000 0.566 105 D N 0.177 120.654 120.400 0.128 0.000 2.323 105 D HA -0.083 4.555 4.640 -0.003 0.000 0.209 105 D C 0.377 176.721 176.300 0.074 0.000 0.973 105 D CA 0.699 54.755 54.000 0.093 0.000 0.874 105 D CB 0.027 40.864 40.800 0.062 0.000 0.930 105 D HN 0.311 nan 8.370 nan 0.000 0.521 106 D N 0.985 121.422 120.400 0.062 0.000 2.767 106 D HA 0.062 4.700 4.640 -0.003 0.000 0.241 106 D C -0.690 175.661 176.300 0.086 0.000 1.187 106 D CA -0.289 53.742 54.000 0.052 0.000 0.999 106 D CB 0.060 40.873 40.800 0.021 0.000 1.042 106 D HN -0.265 nan 8.370 nan 0.000 0.510 107 V N 4.160 124.159 119.914 0.143 0.000 2.427 107 V HA 0.068 4.186 4.120 -0.003 0.000 0.268 107 V C 1.703 177.923 176.094 0.211 0.000 1.046 107 V CA -0.094 62.320 62.300 0.189 0.000 0.970 107 V CB 1.170 33.151 31.823 0.263 0.000 1.001 107 V HN 0.444 nan 8.190 nan 0.000 0.476 108 L N 4.325 125.625 121.223 0.129 0.000 2.375 108 L HA 0.424 4.761 4.340 -0.003 0.000 0.215 108 L C 1.174 178.107 176.870 0.105 0.000 1.108 108 L CA 0.955 55.861 54.840 0.109 0.000 0.830 108 L CB -0.190 41.905 42.059 0.060 0.000 0.959 108 L HN 0.845 nan 8.230 nan 0.000 0.457 109 G N -0.934 107.907 108.800 0.070 0.000 2.323 109 G HA2 0.332 4.290 3.960 -0.003 0.000 0.291 109 G HA3 0.332 4.290 3.960 -0.003 0.000 0.291 109 G C -1.938 172.953 174.900 -0.015 0.000 1.278 109 G CA -0.549 44.560 45.100 0.015 0.000 0.860 109 G HN -0.305 nan 8.290 nan 0.000 0.504 110 V N 0.275 120.174 119.914 -0.024 0.000 2.656 110 V HA 0.687 4.805 4.120 -0.003 0.000 0.307 110 V C -0.787 175.309 176.094 0.004 0.000 1.051 110 V CA -0.711 61.579 62.300 -0.018 0.000 0.893 110 V CB 1.655 33.452 31.823 -0.043 0.000 0.999 110 V HN 0.857 nan 8.190 nan 0.000 0.426 111 L N 5.719 126.958 121.223 0.026 0.000 2.272 111 L HA 0.565 4.902 4.340 -0.003 0.000 0.289 111 L C -0.554 176.372 176.870 0.092 0.000 1.032 111 L CA 0.109 54.971 54.840 0.037 0.000 0.810 111 L CB 1.032 43.077 42.059 -0.023 0.000 1.205 111 L HN 0.519 nan 8.230 nan 0.000 0.422 112 L N 6.009 127.271 121.223 0.064 0.000 2.290 112 L HA 0.360 4.698 4.340 -0.003 0.000 0.284 112 L C 1.573 178.503 176.870 0.099 0.000 1.078 112 L CA -0.212 54.666 54.840 0.063 0.000 0.815 112 L CB 1.295 43.371 42.059 0.028 0.000 1.162 112 L HN 0.905 nan 8.230 nan 0.000 0.435 113 A N 4.604 127.508 122.820 0.140 0.000 1.917 113 A HA -0.234 4.084 4.320 -0.003 0.000 0.219 113 A C 2.135 179.774 177.584 0.091 0.000 1.182 113 A CA 2.147 54.276 52.037 0.152 0.000 0.633 113 A CB -0.436 18.669 19.000 0.175 0.000 0.819 113 A HN 0.930 nan 8.150 nan 0.000 0.448 114 K N -1.125 119.309 120.400 0.056 0.000 2.362 114 K HA -0.110 4.208 4.320 -0.003 0.000 0.200 114 K C 0.439 177.063 176.600 0.039 0.000 1.046 114 K CA 1.458 57.767 56.287 0.037 0.000 0.952 114 K CB -0.243 32.266 32.500 0.016 0.000 0.753 114 K HN 0.215 nan 8.250 nan 0.000 0.466 115 D N 1.137 121.566 120.400 0.047 0.000 2.363 115 D HA 0.018 4.656 4.640 -0.003 0.000 0.220 115 D C 1.482 177.816 176.300 0.056 0.000 0.994 115 D CA 0.530 54.557 54.000 0.045 0.000 0.890 115 D CB 0.138 40.964 40.800 0.043 0.000 0.906 115 D HN 0.258 nan 8.370 nan 0.000 0.530 116 L N -0.023 121.242 121.223 0.070 0.000 2.492 116 L HA 0.068 4.405 4.340 -0.003 0.000 0.223 116 L C 2.160 179.059 176.870 0.048 0.000 1.132 116 L CA 0.053 54.940 54.840 0.078 0.000 0.850 116 L CB -0.007 42.119 42.059 0.111 0.000 0.966 116 L HN 0.013 nan 8.230 nan 0.000 0.454 117 L N 0.330 121.576 121.223 0.038 0.000 2.079 117 L HA -0.175 4.163 4.340 -0.003 0.000 0.210 117 L C -0.129 176.752 176.870 0.019 0.000 1.081 117 L CA 1.459 56.314 54.840 0.025 0.000 0.752 117 L CB -1.794 40.277 42.059 0.021 0.000 0.896 117 L HN 0.252 nan 8.230 nan 0.000 0.433 118 P HA -0.162 nan 4.420 nan 0.000 0.221 118 P C 1.549 178.856 177.300 0.013 0.000 1.145 118 P CA 0.972 64.082 63.100 0.016 0.000 0.795 118 P CB 0.062 31.774 31.700 0.019 0.000 0.775 119 L N -1.617 119.615 121.223 0.015 0.000 2.362 119 L HA -0.086 4.252 4.340 -0.003 0.000 0.219 119 L C 2.154 179.022 176.870 -0.004 0.000 1.134 119 L CA 1.280 56.123 54.840 0.005 0.000 0.807 119 L CB -1.183 40.879 42.059 0.005 0.000 0.927 119 L HN 0.005 nan 8.230 nan 0.000 0.447 120 I N -1.037 119.532 120.570 -0.002 0.000 2.226 120 I HA -0.282 3.886 4.170 -0.003 0.000 0.245 120 I C 1.700 177.814 176.117 -0.006 0.000 1.100 120 I CA 1.316 62.612 61.300 -0.006 0.000 1.374 120 I CB -0.155 37.844 38.000 -0.002 0.000 1.057 120 I HN 0.166 nan 8.210 nan 0.000 0.413 121 L N 0.277 121.499 121.223 -0.002 0.000 2.611 121 L HA 0.118 4.455 4.340 -0.003 0.000 0.229 121 L C 0.654 177.522 176.870 -0.003 0.000 1.137 121 L CA 0.058 54.897 54.840 -0.002 0.000 0.901 121 L CB -0.357 41.702 42.059 -0.000 0.000 1.098 121 L HN 0.084 nan 8.230 nan 0.000 0.456 122 K N -0.247 120.151 120.400 -0.004 0.000 2.090 122 K HA 0.408 4.726 4.320 -0.003 0.000 0.250 122 K C 1.088 177.683 176.600 -0.008 0.000 1.004 122 K CA 0.109 56.394 56.287 -0.004 0.000 0.919 122 K CB 1.599 34.097 32.500 -0.003 0.000 1.045 122 K HN -0.077 nan 8.250 nan 0.000 0.471 123 A N 0.781 123.597 122.820 -0.007 0.000 1.929 123 A HA -0.116 4.202 4.320 -0.003 0.000 0.216 123 A C 0.998 178.574 177.584 -0.013 0.000 1.176 123 A CA 1.794 53.825 52.037 -0.009 0.000 0.628 123 A CB -0.064 18.932 19.000 -0.007 0.000 0.816 123 A HN 0.771 nan 8.150 nan 0.000 0.444 124 D N -2.185 118.207 120.400 -0.013 0.000 2.837 124 D HA 0.291 4.929 4.640 -0.003 0.000 0.340 124 D C 1.282 177.570 176.300 -0.021 0.000 1.451 124 D CA 0.502 54.492 54.000 -0.017 0.000 0.798 124 D CB -0.242 40.550 40.800 -0.013 0.000 1.169 124 D HN 0.137 nan 8.370 nan 0.000 0.449 125 G N 0.700 109.487 108.800 -0.022 0.000 2.448 125 G HA2 -0.255 3.702 3.960 -0.003 0.000 0.219 125 G HA3 -0.255 3.702 3.960 -0.003 0.000 0.219 125 G C 1.338 176.210 174.900 -0.047 0.000 1.127 125 G CA 1.068 46.154 45.100 -0.024 0.000 0.766 125 G HN 0.449 nan 8.290 nan 0.000 0.552 126 D N 0.517 120.879 120.400 -0.063 0.000 2.350 126 D HA -0.013 4.625 4.640 -0.003 0.000 0.216 126 D C 1.658 177.899 176.300 -0.098 0.000 0.968 126 D CA 0.891 54.830 54.000 -0.103 0.000 0.894 126 D CB -0.322 40.417 40.800 -0.100 0.000 0.909 126 D HN 0.257 nan 8.370 nan 0.000 0.520 127 S N -0.256 115.410 115.700 -0.056 0.000 2.554 127 S HA 0.093 4.560 4.470 -0.003 0.000 0.226 127 S C -0.072 174.521 174.600 -0.011 0.000 0.980 127 S CA -0.615 57.564 58.200 -0.035 0.000 0.939 127 S CB 0.354 63.540 63.200 -0.023 0.000 0.832 127 S HN 0.137 nan 8.310 nan 0.000 0.486 128 D N 2.804 123.201 120.400 -0.005 0.000 2.382 128 D HA 0.119 4.757 4.640 -0.003 0.000 0.240 128 D C -0.174 176.160 176.300 0.057 0.000 1.146 128 D CA 0.167 54.182 54.000 0.025 0.000 0.897 128 D CB 0.426 41.246 40.800 0.032 0.000 1.197 128 D HN 0.010 nan 8.370 nan 0.000 0.432 129 D N 1.128 121.562 120.400 0.057 0.000 2.339 129 D HA -0.005 4.633 4.640 -0.003 0.000 0.241 129 D C 0.840 177.191 176.300 0.085 0.000 1.183 129 D CA -0.311 53.730 54.000 0.068 0.000 0.859 129 D CB 1.232 42.059 40.800 0.045 0.000 1.067 129 D HN 0.031 nan 8.370 nan 0.000 0.484 130 V N 5.274 125.259 119.914 0.118 0.000 2.720 130 V HA -0.179 3.939 4.120 -0.003 0.000 0.256 130 V C 2.037 178.157 176.094 0.043 0.000 1.082 130 V CA 1.611 63.973 62.300 0.103 0.000 1.101 130 V CB -0.275 31.600 31.823 0.088 0.000 0.693 130 V HN 0.539 nan 8.190 nan 0.000 0.479 131 K N 0.241 120.663 120.400 0.038 0.000 2.211 131 K HA -0.176 4.142 4.320 -0.003 0.000 0.204 131 K C 2.279 178.897 176.600 0.030 0.000 1.047 131 K CA 1.732 58.036 56.287 0.028 0.000 0.935 131 K CB -0.295 32.221 32.500 0.028 0.000 0.728 131 K HN 0.583 nan 8.250 nan 0.000 0.452 132 K N 1.051 121.472 120.400 0.035 0.000 2.366 132 K HA 0.023 4.340 4.320 -0.003 0.000 0.198 132 K C 1.709 178.329 176.600 0.033 0.000 1.044 132 K CA 0.807 57.113 56.287 0.033 0.000 0.973 132 K CB -0.448 32.072 32.500 0.033 0.000 0.767 132 K HN 0.128 nan 8.250 nan 0.000 0.475 133 L N 0.213 121.458 121.223 0.037 0.000 2.616 133 L HA 0.300 4.638 4.340 -0.003 0.000 0.229 133 L C 0.450 177.337 176.870 0.029 0.000 1.110 133 L CA -0.352 54.511 54.840 0.038 0.000 0.884 133 L CB 0.065 42.156 42.059 0.053 0.000 1.115 133 L HN 0.173 nan 8.230 nan 0.000 0.481 134 L N 1.227 122.463 121.223 0.023 0.000 2.456 134 L HA 0.110 4.448 4.340 -0.003 0.000 0.272 134 L C 0.431 177.313 176.870 0.019 0.000 1.189 134 L CA 0.349 55.199 54.840 0.017 0.000 0.846 134 L CB 0.278 42.347 42.059 0.017 0.000 1.111 134 L HN 0.232 nan 8.230 nan 0.000 0.475 135 R N 3.432 123.940 120.500 0.014 0.000 2.598 135 R HA 0.441 4.779 4.340 -0.003 0.000 0.279 135 R C -2.322 173.981 176.300 0.005 0.000 0.984 135 R CA -1.846 54.262 56.100 0.014 0.000 0.999 135 R CB 1.052 31.360 30.300 0.013 0.000 1.114 135 R HN 0.397 nan 8.270 nan 0.000 0.493 136 P HA 0.042 nan 4.420 nan 0.000 0.271 136 P C -0.904 176.356 177.300 -0.066 0.000 1.218 136 P CA -0.149 62.954 63.100 0.006 0.000 0.780 136 P CB 0.752 32.472 31.700 0.032 0.000 0.901 137 A N 2.943 125.664 122.820 -0.163 0.000 2.388 137 A HA 0.356 4.674 4.320 -0.003 0.000 0.257 137 A C 0.373 177.658 177.584 -0.498 0.000 1.095 137 A CA 0.002 51.786 52.037 -0.422 0.000 0.791 137 A CB -0.430 18.102 19.000 -0.780 0.000 1.029 137 A HN 0.498 nan 8.150 nan 0.000 0.489 138 T N 3.048 117.382 114.554 -0.367 0.000 2.749 138 T HA 0.461 4.809 4.350 -0.003 0.000 0.295 138 T C -0.673 173.813 174.700 -0.357 0.000 0.936 138 T CA 0.553 62.511 62.100 -0.238 0.000 1.060 138 T CB -0.413 68.406 68.868 -0.081 0.000 0.904 138 T HN 0.324 nan 8.240 nan 0.000 0.500 139 F N 2.862 122.809 119.950 -0.004 0.000 2.421 139 F HA 0.604 5.129 4.527 -0.004 0.000 0.337 139 F C 0.398 176.177 175.800 -0.035 0.000 1.105 139 F CA -0.945 57.048 58.000 -0.011 0.000 1.049 139 F CB 1.438 40.434 39.000 -0.005 0.000 1.139 139 F HN 0.318 nan 8.300 nan 0.000 0.479 140 V N 0.995 120.998 119.914 0.149 0.000 2.876 140 V HA 0.731 4.849 4.120 -0.003 0.000 0.312 140 V C -2.862 173.261 176.094 0.049 0.000 1.085 140 V CA -2.750 59.578 62.300 0.046 0.000 0.945 140 V CB 1.944 33.743 31.823 -0.040 0.000 1.017 140 V HN 0.478 nan 8.190 nan 0.000 0.428 141 P HA 0.292 nan 4.420 nan 0.000 0.274 141 P C 0.513 177.809 177.300 -0.006 0.000 1.231 141 P CA -0.028 63.071 63.100 -0.002 0.000 0.790 141 P CB 1.029 32.715 31.700 -0.023 0.000 0.951 142 E N 0.695 120.891 120.200 -0.006 0.000 2.171 142 E HA -0.164 4.184 4.350 -0.003 0.000 0.197 142 E C 1.506 178.097 176.600 -0.014 0.000 0.997 142 E CA 1.881 58.279 56.400 -0.005 0.000 0.810 142 E CB -0.226 29.471 29.700 -0.005 0.000 0.738 142 E HN 0.526 nan 8.360 nan 0.000 0.467 143 S N 0.784 116.470 115.700 -0.024 0.000 2.593 143 S HA 0.012 4.479 4.470 -0.003 0.000 0.217 143 S C 0.745 175.327 174.600 -0.029 0.000 0.966 143 S CA -0.291 57.893 58.200 -0.026 0.000 0.914 143 S CB 0.001 63.182 63.200 -0.033 0.000 0.776 143 S HN -0.031 nan 8.310 nan 0.000 0.523 144 K N 3.092 123.472 120.400 -0.033 0.000 2.484 144 K HA 0.038 4.356 4.320 -0.003 0.000 0.280 144 K C -0.084 176.491 176.600 -0.042 0.000 1.013 144 K CA 0.062 56.323 56.287 -0.044 0.000 1.029 144 K CB 0.254 32.718 32.500 -0.060 0.000 0.902 144 K HN 0.257 nan 8.250 nan 0.000 0.481 145 R N 4.484 124.958 120.500 -0.042 0.000 2.490 145 R HA 0.107 4.444 4.340 -0.003 0.000 0.280 145 R C 1.043 177.319 176.300 -0.041 0.000 1.077 145 R CA -0.325 55.754 56.100 -0.035 0.000 1.065 145 R CB 0.413 30.694 30.300 -0.030 0.000 1.003 145 R HN 0.692 nan 8.270 nan 0.000 0.470 146 L N 2.294 123.502 121.223 -0.025 0.000 2.083 146 L HA -0.246 4.092 4.340 -0.003 0.000 0.209 146 L C 2.250 179.108 176.870 -0.021 0.000 1.083 146 L CA 1.217 56.047 54.840 -0.018 0.000 0.752 146 L CB -0.572 41.489 42.059 0.003 0.000 0.899 146 L HN 0.751 nan 8.230 nan 0.000 0.433 147 N N 0.504 119.191 118.700 -0.020 0.000 2.166 147 N HA -0.145 4.593 4.740 -0.003 0.000 0.186 147 N C 1.633 177.122 175.510 -0.036 0.000 1.019 147 N CA 1.522 54.560 53.050 -0.020 0.000 0.856 147 N CB -0.789 37.688 38.487 -0.017 0.000 0.993 147 N HN 0.185 nan 8.380 nan 0.000 0.426 148 V N 1.133 121.017 119.914 -0.050 0.000 2.307 148 V HA -0.140 3.978 4.120 -0.003 0.000 0.245 148 V C 2.604 178.631 176.094 -0.112 0.000 1.045 148 V CA 1.159 63.418 62.300 -0.070 0.000 1.024 148 V CB -0.768 31.015 31.823 -0.067 0.000 0.651 148 V HN 0.216 nan 8.190 nan 0.000 0.449 149 L N -0.106 121.032 121.223 -0.141 0.000 2.042 149 L HA -0.167 4.171 4.340 -0.003 0.000 0.210 149 L C 2.211 178.926 176.870 -0.259 0.000 1.076 149 L CA 1.932 56.608 54.840 -0.273 0.000 0.749 149 L CB -0.715 41.183 42.059 -0.269 0.000 0.893 149 L HN 0.299 nan 8.230 nan 0.000 0.432 150 L N -0.391 120.795 121.223 -0.062 0.000 2.046 150 L HA -0.201 4.137 4.340 -0.003 0.000 0.208 150 L C 2.667 179.548 176.870 0.018 0.000 1.077 150 L CA 1.727 56.604 54.840 0.063 0.000 0.747 150 L CB -0.537 41.557 42.059 0.058 0.000 0.896 150 L HN 0.247 nan 8.230 nan 0.000 0.432 151 R N -0.562 119.915 120.500 -0.038 0.000 2.092 151 R HA -0.131 4.207 4.340 -0.003 0.000 0.231 151 R C 2.129 178.385 176.300 -0.073 0.000 1.119 151 R CA 1.567 57.639 56.100 -0.048 0.000 0.970 151 R CB -0.346 29.925 30.300 -0.048 0.000 0.864 151 R HN 0.520 nan 8.270 nan 0.000 0.440 152 E N -0.068 120.057 120.200 -0.124 0.000 2.072 152 E HA -0.160 4.188 4.350 -0.003 0.000 0.191 152 E C 1.631 178.161 176.600 -0.116 0.000 0.985 152 E CA 1.005 57.311 56.400 -0.157 0.000 0.801 152 E CB -0.087 29.467 29.700 -0.243 0.000 0.750 152 E HN 0.190 nan 8.360 nan 0.000 0.452 153 F N 1.159 121.042 119.950 -0.112 0.000 2.126 153 F HA -0.152 4.373 4.527 -0.004 0.000 0.299 153 F C 2.487 178.155 175.800 -0.219 0.000 1.096 153 F CA 1.201 59.111 58.000 -0.150 0.000 1.255 153 F CB -0.501 38.410 39.000 -0.147 0.000 0.997 153 F HN -0.065 nan 8.300 nan 0.000 0.479 154 R N 0.431 120.920 120.500 -0.019 0.000 2.073 154 R HA -0.132 4.206 4.340 -0.003 0.000 0.234 154 R C 2.283 178.357 176.300 -0.377 0.000 1.134 154 R CA 1.453 57.443 56.100 -0.182 0.000 0.952 154 R CB -0.500 29.734 30.300 -0.109 0.000 0.850 154 R HN 0.213 nan 8.270 nan 0.000 0.433 155 A N 0.911 123.598 122.820 -0.221 0.000 1.930 155 A HA -0.087 4.231 4.320 -0.003 0.000 0.217 155 A C 1.430 178.898 177.584 -0.193 0.000 1.175 155 A CA 1.391 53.313 52.037 -0.191 0.000 0.627 155 A CB -0.205 18.742 19.000 -0.088 0.000 0.815 155 A HN 0.443 nan 8.150 nan 0.000 0.443 156 N N -1.032 117.584 118.700 -0.142 0.000 2.236 156 N HA 0.034 4.772 4.740 -0.003 0.000 0.196 156 N C -0.599 174.961 175.510 0.083 0.000 1.114 156 N CA 0.197 53.248 53.050 0.002 0.000 0.859 156 N CB -0.022 38.477 38.487 0.020 0.000 0.982 156 N HN 0.544 nan 8.380 nan 0.000 0.493 157 H N -0.100 118.986 119.070 0.028 0.000 2.741 157 H HA -0.177 4.377 4.556 -0.003 0.000 0.305 157 H C -0.117 175.211 175.328 -0.000 0.000 1.169 157 H CA 0.936 56.981 56.048 -0.005 0.000 1.144 157 H CB -2.092 27.676 29.762 0.011 0.000 1.397 157 H HN 0.644 nan 8.280 nan 0.000 0.409 158 N N -0.294 118.454 118.700 0.080 0.000 2.471 158 N HA 0.501 5.238 4.740 -0.003 0.000 0.288 158 N C -0.241 175.155 175.510 -0.189 0.000 1.220 158 N CA -0.850 52.260 53.050 0.100 0.000 0.893 158 N CB 1.926 40.526 38.487 0.189 0.000 1.256 158 N HN 0.141 nan 8.380 nan 0.000 0.534 162 I N 1.986 122.495 120.570 -0.103 0.000 2.331 162 I HA 0.401 4.569 4.170 -0.003 0.000 0.292 162 I C 0.072 176.260 176.117 0.118 0.000 0.998 162 I CA -0.625 60.660 61.300 -0.025 0.000 1.267 162 I CB 1.099 39.026 38.000 -0.121 0.000 1.386 162 I HN 0.355 nan 8.210 nan 0.000 0.476 163 V N 7.318 127.298 119.914 0.111 0.000 2.432 163 V HA 0.399 4.517 4.120 -0.003 0.000 0.275 163 V C 0.317 176.488 176.094 0.128 0.000 1.043 163 V CA -0.623 61.738 62.300 0.101 0.000 0.925 163 V CB 1.307 33.163 31.823 0.056 0.000 0.985 163 V HN 0.604 nan 8.190 nan 0.000 0.466 164 I N 1.525 122.165 120.570 0.118 0.000 2.525 164 I HA 0.762 4.930 4.170 -0.003 0.000 0.301 164 I C 0.038 176.175 176.117 0.034 0.000 0.992 164 I CA -0.803 60.543 61.300 0.076 0.000 1.162 164 I CB 1.714 39.731 38.000 0.027 0.000 1.332 164 I HN 0.653 nan 8.210 nan 0.000 0.458 165 D N 3.218 123.642 120.400 0.039 0.000 2.447 165 D HA 0.259 4.897 4.640 -0.003 0.000 0.265 165 D C 1.167 177.428 176.300 -0.065 0.000 1.250 165 D CA 0.198 54.209 54.000 0.018 0.000 1.046 165 D CB 0.444 41.303 40.800 0.099 0.000 1.095 165 D HN 0.721 nan 8.370 nan 0.000 0.555 166 E N -1.260 118.813 120.200 -0.212 0.000 2.409 166 E HA -0.093 4.255 4.350 -0.003 0.000 0.198 166 E C 1.136 177.442 176.600 -0.490 0.000 1.024 166 E CA 1.027 57.191 56.400 -0.395 0.000 0.861 166 E CB -1.144 28.226 29.700 -0.551 0.000 0.788 166 E HN 0.605 nan 8.360 nan 0.000 0.521 167 Y N -1.532 118.759 120.300 -0.016 0.000 2.458 167 Y HA 0.438 4.986 4.550 -0.004 0.000 0.256 167 Y C 2.181 178.062 175.900 -0.031 0.000 1.159 167 Y CA -0.061 58.027 58.100 -0.020 0.000 1.261 167 Y CB 0.662 39.115 38.460 -0.013 0.000 1.119 167 Y HN 0.312 nan 8.280 nan 0.000 0.524 168 G N -0.038 108.791 108.800 0.048 0.000 2.205 168 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.261 168 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.261 168 G C 0.906 175.811 174.900 0.010 0.000 0.980 168 G CA -0.094 45.002 45.100 -0.007 0.000 0.632 168 G HN 0.750 nan 8.290 nan 0.000 0.533 169 G N -0.840 108.006 108.800 0.077 0.000 2.699 169 G HA2 0.490 4.448 3.960 -0.003 0.000 0.246 169 G HA3 0.490 4.448 3.960 -0.003 0.000 0.246 169 G C 0.197 175.141 174.900 0.073 0.000 1.219 169 G CA 0.354 45.498 45.100 0.074 0.000 0.866 169 G HN 1.004 nan 8.290 nan 0.000 0.572 170 V N 1.279 121.245 119.914 0.086 0.000 2.364 170 V HA 0.396 4.514 4.120 -0.003 0.000 0.272 170 V C 1.187 177.333 176.094 0.086 0.000 1.036 170 V CA 0.253 62.616 62.300 0.105 0.000 0.880 170 V CB 0.818 32.720 31.823 0.133 0.000 0.991 170 V HN 0.982 nan 8.190 nan 0.000 0.460 171 A N 3.958 126.825 122.820 0.078 0.000 1.975 171 A HA 0.630 4.948 4.320 -0.003 0.000 0.215 171 A C 1.144 178.752 177.584 0.040 0.000 1.170 171 A CA 1.108 53.179 52.037 0.057 0.000 0.656 171 A CB -0.047 18.983 19.000 0.051 0.000 0.821 171 A HN 1.306 nan 8.150 nan 0.000 0.449 172 G N -1.931 106.895 108.800 0.043 0.000 2.344 172 G HA2 0.492 4.450 3.960 -0.003 0.000 0.282 172 G HA3 0.492 4.450 3.960 -0.003 0.000 0.282 172 G C -1.491 173.422 174.900 0.022 0.000 1.281 172 G CA -0.223 44.888 45.100 0.018 0.000 0.877 172 G HN 1.155 nan 8.290 nan 0.000 0.494 173 L N -2.065 119.157 121.223 -0.001 0.000 2.327 173 L HA 1.005 5.343 4.340 -0.003 0.000 0.258 173 L C -0.611 176.261 176.870 0.004 0.000 1.024 173 L CA -1.433 53.404 54.840 -0.005 0.000 0.825 173 L CB 1.818 43.852 42.059 -0.042 0.000 1.386 173 L HN 1.224 nan 8.230 nan 0.000 0.417 174 V N 0.268 120.205 119.914 0.038 0.000 2.888 174 V HA 0.875 4.993 4.120 -0.003 0.000 0.309 174 V C -0.610 175.560 176.094 0.126 0.000 1.114 174 V CA 0.628 62.973 62.300 0.074 0.000 0.940 174 V CB 2.585 34.467 31.823 0.097 0.000 1.021 174 V HN 1.299 nan 8.190 nan 0.000 0.426 175 T N 2.782 117.372 114.554 0.059 0.000 2.924 175 T HA 0.465 4.813 4.350 -0.003 0.000 0.291 175 T C 1.062 175.662 174.700 -0.166 0.000 1.045 175 T CA 0.031 62.085 62.100 -0.077 0.000 1.015 175 T CB 1.632 70.430 68.868 -0.116 0.000 1.103 175 T HN 0.731 nan 8.240 nan 0.000 0.496 176 I N 0.563 120.766 120.570 -0.612 0.000 2.264 176 I HA -0.151 4.017 4.170 -0.003 0.000 0.248 176 I C 2.111 178.124 176.117 -0.173 0.000 1.111 176 I CA 1.702 62.679 61.300 -0.539 0.000 1.382 176 I CB -0.039 37.462 38.000 -0.831 0.000 1.060 176 I HN 0.788 nan 8.210 nan 0.000 0.418 177 E N 0.757 120.880 120.200 -0.128 0.000 2.106 177 E HA -0.218 4.130 4.350 -0.003 0.000 0.192 177 E C 1.735 178.317 176.600 -0.030 0.000 0.984 177 E CA 1.423 57.789 56.400 -0.057 0.000 0.806 177 E CB -0.200 29.477 29.700 -0.039 0.000 0.750 177 E HN 0.516 nan 8.360 nan 0.000 0.458 178 D N -0.382 120.003 120.400 -0.025 0.000 2.183 178 D HA -0.078 4.560 4.640 -0.003 0.000 0.203 178 D C 1.890 178.202 176.300 0.020 0.000 0.969 178 D CA 0.540 54.540 54.000 -0.000 0.000 0.842 178 D CB -0.124 40.678 40.800 0.002 0.000 0.957 178 D HN 0.021 nan 8.370 nan 0.000 0.484 179 V N 1.117 121.057 119.914 0.044 0.000 2.343 179 V HA -0.210 3.908 4.120 -0.003 0.000 0.247 179 V C 2.525 178.641 176.094 0.037 0.000 1.051 179 V CA 1.116 63.456 62.300 0.067 0.000 1.036 179 V CB -0.456 31.455 31.823 0.147 0.000 0.654 179 V HN 0.241 nan 8.190 nan 0.000 0.451 180 L N -0.273 120.962 121.223 0.020 0.000 2.265 180 L HA -0.110 4.228 4.340 -0.003 0.000 0.215 180 L C 2.395 179.269 176.870 0.007 0.000 1.117 180 L CA 1.025 55.871 54.840 0.010 0.000 0.782 180 L CB -0.514 41.543 42.059 -0.002 0.000 0.914 180 L HN 0.351 nan 8.230 nan 0.000 0.441 181 E N -0.331 119.873 120.200 0.007 0.000 2.481 181 E HA -0.067 4.281 4.350 -0.003 0.000 0.195 181 E C 1.710 178.314 176.600 0.007 0.000 1.047 181 E CA 0.496 56.900 56.400 0.006 0.000 0.867 181 E CB 0.279 29.981 29.700 0.004 0.000 0.858 181 E HN 0.543 nan 8.360 nan 0.000 0.513 182 Q N -0.415 119.392 119.800 0.011 0.000 2.369 182 Q HA 0.255 4.593 4.340 -0.003 0.000 0.254 182 Q C 1.444 177.449 176.000 0.009 0.000 0.858 182 Q CA 0.188 55.998 55.803 0.010 0.000 0.961 182 Q CB 1.337 30.083 28.738 0.013 0.000 1.119 182 Q HN 0.302 nan 8.270 nan 0.000 0.538 183 I N 0.000 120.577 120.570 0.011 0.000 2.984 183 I HA 0.000 4.168 4.170 -0.003 0.000 0.288 183 I CA 0.000 61.305 61.300 0.009 0.000 1.566 183 I CB 0.000 38.005 38.000 0.009 0.000 1.214 183 I HN 0.000 nan 8.210 nan 0.000 0.494