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 3lix_1_B DATA FIRST_RESID 1 DATA SEQUENCE PVIPLDPARR PVIKAQVDTQ TSHPKTIEAL LDTGADMTVI PIALFSSNTP DATA SEQUENCE LKNTSVLGAG GQTQDHFKLT SLPVLIRLPF RTTPIVLTSC LVDTKNNWAI DATA SEQUENCE IGRDALQQCQ GVLYLP 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.206 177.300 -0.157 0.000 1.155 1 P CA 0.000 62.944 63.100 -0.261 0.000 0.800 1 P CB 0.000 31.585 31.700 -0.191 0.000 0.726 2 V N 1.903 121.761 119.914 -0.093 0.000 2.470 2 V HA 0.200 4.321 4.120 0.001 0.000 0.276 2 V C 0.333 176.414 176.094 -0.021 0.000 1.040 2 V CA 0.140 62.412 62.300 -0.047 0.000 1.008 2 V CB 0.276 32.080 31.823 -0.032 0.000 0.990 2 V HN 0.338 nan 8.190 nan 0.000 0.477 3 I N 8.862 129.429 120.570 -0.004 0.000 2.328 3 I HA 0.366 4.537 4.170 0.001 0.000 0.287 3 I C -1.583 174.547 176.117 0.022 0.000 1.012 3 I CA -1.473 59.836 61.300 0.014 0.000 1.195 3 I CB 1.436 39.451 38.000 0.025 0.000 1.350 3 I HN 0.530 nan 8.210 nan 0.000 0.464 4 P HA 0.295 nan 4.420 nan 0.000 0.272 4 P C -1.055 176.258 177.300 0.022 0.000 1.230 4 P CA -0.341 62.773 63.100 0.023 0.000 0.788 4 P CB 0.967 32.679 31.700 0.020 0.000 0.949 5 L N 1.413 122.647 121.223 0.019 0.000 2.325 5 L HA 0.457 4.798 4.340 0.001 0.000 0.281 5 L C -0.142 176.736 176.870 0.014 0.000 1.004 5 L CA -0.503 54.346 54.840 0.016 0.000 0.823 5 L CB 1.660 43.726 42.059 0.012 0.000 1.236 5 L HN 0.334 nan 8.230 nan 0.000 0.415 6 D N 4.153 124.562 120.400 0.016 0.000 2.787 6 D HA 0.383 5.024 4.640 0.001 0.000 0.246 6 D C -1.797 174.513 176.300 0.016 0.000 1.150 6 D CA -1.744 52.265 54.000 0.015 0.000 0.864 6 D CB 2.822 43.632 40.800 0.017 0.000 1.481 6 D HN 0.140 nan 8.370 nan 0.000 0.509 7 P HA 0.003 nan 4.420 nan 0.000 0.219 7 P C 0.743 178.055 177.300 0.020 0.000 1.150 7 P CA 0.449 63.559 63.100 0.016 0.000 0.814 7 P CB 0.182 31.890 31.700 0.013 0.000 0.787 8 A N -0.392 122.439 122.820 0.019 0.000 2.252 8 A HA 0.030 4.350 4.320 0.001 0.000 0.207 8 A C 1.134 178.733 177.584 0.025 0.000 1.194 8 A CA 0.061 52.110 52.037 0.021 0.000 0.809 8 A CB -0.816 18.195 19.000 0.018 0.000 0.814 8 A HN 0.124 nan 8.150 nan 0.000 0.482 9 R N -0.037 120.479 120.500 0.027 0.000 2.912 9 R HA 0.205 4.546 4.340 0.001 0.000 0.278 9 R C -1.191 175.129 176.300 0.034 0.000 1.533 9 R CA -0.515 55.603 56.100 0.029 0.000 1.061 9 R CB 0.433 30.749 30.300 0.026 0.000 1.313 9 R HN 0.356 nan 8.270 nan 0.000 0.443 10 R N 3.710 124.234 120.500 0.041 0.000 2.502 10 R HA 0.046 4.387 4.340 0.001 0.000 0.292 10 R C -1.883 174.444 176.300 0.045 0.000 0.998 10 R CA -0.803 55.325 56.100 0.046 0.000 1.056 10 R CB 0.428 30.764 30.300 0.061 0.000 0.939 10 R HN 0.355 nan 8.270 nan 0.000 0.411 11 P HA 0.003 nan 4.420 nan 0.000 0.271 11 P C -0.524 176.807 177.300 0.052 0.000 1.380 11 P CA -0.012 63.114 63.100 0.044 0.000 0.992 11 P CB 0.360 32.083 31.700 0.039 0.000 1.230 12 V N 2.341 122.288 119.914 0.054 0.000 2.850 12 V HA 0.679 4.800 4.120 0.001 0.000 0.315 12 V C -0.029 176.101 176.094 0.060 0.000 1.064 12 V CA -1.140 61.195 62.300 0.058 0.000 0.979 12 V CB 2.407 34.264 31.823 0.056 0.000 1.039 12 V HN 0.369 nan 8.190 nan 0.000 0.452 13 I N 0.773 121.376 120.570 0.056 0.000 2.827 13 I HA 0.480 4.651 4.170 0.001 0.000 0.298 13 I C -0.488 175.643 176.117 0.024 0.000 1.235 13 I CA -0.949 60.382 61.300 0.052 0.000 1.021 13 I CB 2.452 40.497 38.000 0.076 0.000 1.259 13 I HN 0.738 nan 8.210 nan 0.000 0.427 14 K N 4.904 125.307 120.400 0.005 0.000 2.349 14 K HA 0.572 4.892 4.320 0.001 0.000 0.289 14 K C -0.694 175.874 176.600 -0.053 0.000 1.064 14 K CA -0.055 56.221 56.287 -0.018 0.000 0.947 14 K CB 0.964 33.453 32.500 -0.020 0.000 1.007 14 K HN 0.545 nan 8.250 nan 0.000 0.478 15 A N 3.571 126.365 122.820 -0.043 0.000 2.374 15 A HA 0.329 4.650 4.320 0.001 0.000 0.317 15 A C -1.088 176.460 177.584 -0.060 0.000 1.094 15 A CA -0.685 51.314 52.037 -0.062 0.000 0.765 15 A CB 1.335 20.313 19.000 -0.037 0.000 1.268 15 A HN 0.667 nan 8.150 nan 0.000 0.438 16 Q N 1.425 121.178 119.800 -0.079 0.000 2.347 16 Q HA 0.541 4.882 4.340 0.001 0.000 0.262 16 Q C -1.577 174.373 176.000 -0.082 0.000 0.980 16 Q CA -0.362 55.392 55.803 -0.082 0.000 0.867 16 Q CB 1.577 30.259 28.738 -0.093 0.000 1.242 16 Q HN 0.534 nan 8.270 nan 0.000 0.453 17 V N 3.867 123.729 119.914 -0.086 0.000 2.357 17 V HA 0.179 4.299 4.120 0.001 0.000 0.284 17 V C -0.541 175.475 176.094 -0.130 0.000 1.018 17 V CA -0.735 61.511 62.300 -0.090 0.000 0.841 17 V CB 1.661 33.440 31.823 -0.073 0.000 0.991 17 V HN 0.656 nan 8.190 nan 0.000 0.437 18 D N 3.328 123.655 120.400 -0.122 0.000 2.427 18 D HA 0.242 4.882 4.640 0.001 0.000 0.226 18 D C 1.250 177.462 176.300 -0.146 0.000 1.076 18 D CA -0.103 53.813 54.000 -0.140 0.000 0.849 18 D CB 1.905 42.638 40.800 -0.110 0.000 1.052 18 D HN 0.638 nan 8.370 nan 0.000 0.515 19 T N 0.556 114.962 114.554 -0.247 0.000 3.088 19 T HA -0.064 4.287 4.350 0.001 0.000 0.259 19 T C 0.953 175.576 174.700 -0.128 0.000 1.122 19 T CA 0.425 62.325 62.100 -0.333 0.000 1.095 19 T CB -0.160 68.101 68.868 -1.012 0.000 0.930 19 T HN 0.611 nan 8.240 nan 0.000 0.508 20 Q N -0.196 119.546 119.800 -0.097 0.000 2.342 20 Q HA -0.176 4.165 4.340 0.001 0.000 0.196 20 Q C 0.565 176.564 176.000 -0.001 0.000 0.629 20 Q CA 1.577 57.363 55.803 -0.028 0.000 1.365 20 Q CB -2.763 25.981 28.738 0.010 0.000 1.406 20 Q HN 0.851 nan 8.270 nan 0.000 0.840 21 T N -2.500 112.046 114.554 -0.014 0.000 3.228 21 T HA 0.471 4.822 4.350 0.001 0.000 0.278 21 T C 0.164 174.868 174.700 0.007 0.000 1.014 21 T CA 0.443 62.563 62.100 0.034 0.000 0.904 21 T CB 0.566 69.512 68.868 0.130 0.000 1.110 21 T HN 0.404 nan 8.240 nan 0.000 0.541 22 S N -0.478 115.204 115.700 -0.030 0.000 2.663 22 S HA 0.303 4.773 4.470 0.001 0.000 0.264 22 S C -1.067 173.541 174.600 0.014 0.000 1.112 22 S CA -1.144 57.055 58.200 -0.001 0.000 0.823 22 S CB 0.384 63.577 63.200 -0.011 0.000 1.111 22 S HN 0.349 nan 8.310 nan 0.000 0.476 23 H N 2.172 121.210 119.070 -0.053 0.000 3.094 23 H HA 0.170 4.725 4.556 -0.001 0.000 0.320 23 H C -2.405 172.883 175.328 -0.068 0.000 1.000 23 H CA -0.241 55.778 56.048 -0.049 0.000 1.413 23 H CB 0.224 29.963 29.762 -0.037 0.000 1.405 23 H HN 0.233 nan 8.280 nan 0.000 0.586 24 P HA 0.054 nan 4.420 nan 0.000 0.267 24 P C -0.881 176.245 177.300 -0.290 0.000 1.200 24 P CA 0.511 63.414 63.100 -0.327 0.000 0.772 24 P CB 0.676 32.180 31.700 -0.326 0.000 0.855 25 K N 0.641 120.944 120.400 -0.161 0.000 2.502 25 K HA 0.479 4.800 4.320 0.001 0.000 0.257 25 K C -0.783 175.776 176.600 -0.068 0.000 0.938 25 K CA -0.629 55.607 56.287 -0.085 0.000 0.819 25 K CB 1.840 34.310 32.500 -0.050 0.000 1.333 25 K HN 0.208 nan 8.250 nan 0.000 0.434 26 T N 3.088 117.617 114.554 -0.042 0.000 2.767 26 T HA 0.510 4.861 4.350 0.001 0.000 0.288 26 T C -0.104 174.586 174.700 -0.016 0.000 0.963 26 T CA -0.538 61.541 62.100 -0.034 0.000 1.019 26 T CB 0.001 68.853 68.868 -0.028 0.000 0.923 26 T HN 0.492 nan 8.240 nan 0.000 0.468 27 I N -0.519 120.045 120.570 -0.011 0.000 3.145 27 I HA 0.676 4.847 4.170 0.001 0.000 0.313 27 I C -0.618 175.508 176.117 0.015 0.000 1.122 27 I CA -1.156 60.149 61.300 0.008 0.000 0.987 27 I CB 2.273 40.285 38.000 0.020 0.000 1.236 27 I HN 0.254 nan 8.210 nan 0.000 0.453 28 E N 2.674 122.892 120.200 0.030 0.000 2.055 28 E HA 0.547 4.898 4.350 0.001 0.000 0.274 28 E C -0.872 175.764 176.600 0.060 0.000 0.949 28 E CA -0.512 55.912 56.400 0.039 0.000 0.775 28 E CB 1.878 31.602 29.700 0.039 0.000 1.097 28 E HN 0.734 nan 8.360 nan 0.000 0.404 29 A N 3.625 126.479 122.820 0.056 0.000 2.324 29 A HA 0.468 4.788 4.320 0.001 0.000 0.330 29 A C -0.606 177.021 177.584 0.071 0.000 1.165 29 A CA -0.729 51.351 52.037 0.072 0.000 0.813 29 A CB 0.786 19.820 19.000 0.056 0.000 1.197 29 A HN 0.546 nan 8.150 nan 0.000 0.484 30 L N 2.563 123.835 121.223 0.082 0.000 2.290 30 L HA 0.441 4.782 4.340 0.001 0.000 0.284 30 L C -0.851 176.046 176.870 0.044 0.000 1.078 30 L CA -0.367 54.513 54.840 0.066 0.000 0.815 30 L CB 0.585 42.688 42.059 0.073 0.000 1.162 30 L HN 0.522 nan 8.230 nan 0.000 0.435 31 L N 5.506 126.755 121.223 0.044 0.000 2.433 31 L HA 0.286 4.626 4.340 0.001 0.000 0.284 31 L C -0.412 176.470 176.870 0.020 0.000 1.120 31 L CA 0.441 55.304 54.840 0.038 0.000 0.879 31 L CB -0.167 41.922 42.059 0.050 0.000 1.232 31 L HN 0.612 nan 8.230 nan 0.000 0.454 32 D N 1.187 121.590 120.400 0.005 0.000 2.420 32 D HA 0.127 4.767 4.640 0.001 0.000 0.255 32 D C 1.121 177.409 176.300 -0.020 0.000 1.185 32 D CA -0.204 53.787 54.000 -0.015 0.000 0.904 32 D CB 1.108 41.884 40.800 -0.039 0.000 1.102 32 D HN 0.533 nan 8.370 nan 0.000 0.534 33 T N -0.177 114.369 114.554 -0.013 0.000 3.155 33 T HA 0.071 4.421 4.350 0.001 0.000 0.264 33 T C 1.483 176.167 174.700 -0.026 0.000 1.160 33 T CA 0.543 62.635 62.100 -0.014 0.000 1.075 33 T CB 0.072 68.936 68.868 -0.007 0.000 0.921 33 T HN 0.305 nan 8.240 nan 0.000 0.533 34 G N 0.184 108.962 108.800 -0.038 0.000 3.126 34 G HA2 0.547 4.508 3.960 0.001 0.000 0.224 34 G HA3 0.547 4.508 3.960 0.001 0.000 0.224 34 G C 0.384 175.244 174.900 -0.067 0.000 1.142 34 G CA -0.042 45.028 45.100 -0.049 0.000 0.759 34 G HN 0.757 nan 8.290 nan 0.000 0.550 35 A N 0.587 123.366 122.820 -0.069 0.000 2.260 35 A HA 0.523 4.844 4.320 0.001 0.000 0.308 35 A C 0.661 178.203 177.584 -0.070 0.000 1.254 35 A CA -0.436 51.547 52.037 -0.089 0.000 0.874 35 A CB 0.732 19.674 19.000 -0.098 0.000 1.153 35 A HN 0.050 nan 8.150 nan 0.000 0.527 36 D N 1.338 121.691 120.400 -0.079 0.000 2.183 36 D HA -0.001 4.640 4.640 0.001 0.000 0.203 36 D C 0.552 176.818 176.300 -0.056 0.000 0.969 36 D CA 1.505 55.468 54.000 -0.061 0.000 0.842 36 D CB 0.078 40.840 40.800 -0.064 0.000 0.957 36 D HN 0.639 nan 8.370 nan 0.000 0.484 37 M N -0.429 119.127 119.600 -0.074 0.000 2.550 37 M HA 0.238 4.719 4.480 0.001 0.000 0.292 37 M C -1.083 175.184 176.300 -0.056 0.000 1.221 37 M CA -0.448 54.817 55.300 -0.058 0.000 0.873 37 M CB 2.413 34.972 32.600 -0.067 0.000 1.727 37 M HN -0.341 nan 8.290 nan 0.000 0.459 38 T N 2.505 117.047 114.554 -0.020 0.000 2.901 38 T HA 0.398 4.749 4.350 0.001 0.000 0.301 38 T C -0.697 174.016 174.700 0.023 0.000 1.012 38 T CA -0.294 61.809 62.100 0.004 0.000 1.135 38 T CB 0.439 69.323 68.868 0.026 0.000 0.936 38 T HN 0.426 nan 8.240 nan 0.000 0.539 39 V N 5.393 125.335 119.914 0.048 0.000 2.513 39 V HA 0.647 4.768 4.120 0.001 0.000 0.299 39 V C 0.118 176.322 176.094 0.182 0.000 1.035 39 V CA -0.831 61.548 62.300 0.131 0.000 0.889 39 V CB 1.290 33.212 31.823 0.165 0.000 0.988 39 V HN 0.808 nan 8.190 nan 0.000 0.440 40 I N 2.287 122.995 120.570 0.230 0.000 2.969 40 I HA 0.755 4.925 4.170 0.001 0.000 0.307 40 I C -2.984 173.291 176.117 0.262 0.000 1.149 40 I CA -2.921 58.513 61.300 0.223 0.000 1.008 40 I CB 2.681 40.801 38.000 0.200 0.000 1.232 40 I HN 0.340 nan 8.210 nan 0.000 0.435 41 P HA 0.296 nan 4.420 nan 0.000 0.275 41 P C 0.637 178.081 177.300 0.240 0.000 1.227 41 P CA -0.182 63.029 63.100 0.184 0.000 0.781 41 P CB 1.197 32.966 31.700 0.115 0.000 0.906 42 I N 2.160 122.845 120.570 0.192 0.000 2.800 42 I HA -0.263 3.908 4.170 0.001 0.000 0.266 42 I C 1.747 177.997 176.117 0.223 0.000 1.249 42 I CA 1.143 62.581 61.300 0.230 0.000 1.458 42 I CB -0.107 37.939 38.000 0.077 0.000 1.093 42 I HN 0.356 nan 8.210 nan 0.000 0.466 43 A N 0.167 123.067 122.820 0.132 0.000 2.121 43 A HA -0.087 4.234 4.320 0.001 0.000 0.218 43 A C 2.061 179.682 177.584 0.062 0.000 1.154 43 A CA 1.064 53.147 52.037 0.078 0.000 0.679 43 A CB -0.614 18.410 19.000 0.040 0.000 0.795 43 A HN 0.539 nan 8.150 nan 0.000 0.458 44 L N -2.174 119.084 121.223 0.058 0.000 2.418 44 L HA 0.164 4.505 4.340 0.001 0.000 0.218 44 L C 0.134 176.887 176.870 -0.195 0.000 1.125 44 L CA -0.096 54.690 54.840 -0.091 0.000 0.835 44 L CB -0.176 41.767 42.059 -0.194 0.000 0.953 44 L HN 0.263 nan 8.230 nan 0.000 0.454 45 F N -0.647 119.316 119.950 0.022 0.000 2.397 45 F HA 0.271 4.800 4.527 0.003 0.000 0.331 45 F C 1.055 176.866 175.800 0.017 0.000 1.090 45 F CA -0.254 57.758 58.000 0.021 0.000 1.065 45 F CB 1.441 40.455 39.000 0.022 0.000 1.184 45 F HN -0.296 nan 8.300 nan 0.000 0.499 46 S N 0.749 116.585 115.700 0.226 0.000 2.600 46 S HA 0.076 4.547 4.470 0.001 0.000 0.265 46 S C 1.241 175.909 174.600 0.114 0.000 1.325 46 S CA -0.399 57.878 58.200 0.129 0.000 1.002 46 S CB 0.901 64.159 63.200 0.098 0.000 0.921 46 S HN 0.702 nan 8.310 nan 0.000 0.554 47 S N 3.096 118.838 115.700 0.069 0.000 2.359 47 S HA -0.162 4.308 4.470 0.001 0.000 0.224 47 S C 1.772 176.396 174.600 0.040 0.000 1.035 47 S CA 1.651 59.879 58.200 0.047 0.000 1.018 47 S CB -0.675 62.543 63.200 0.031 0.000 0.876 47 S HN 0.855 nan 8.310 nan 0.000 0.448 48 N N 1.478 120.203 118.700 0.042 0.000 2.084 48 N HA -0.080 4.661 4.740 0.001 0.000 0.188 48 N C -0.019 175.513 175.510 0.036 0.000 1.078 48 N CA 1.014 54.084 53.050 0.033 0.000 0.877 48 N CB -1.646 36.860 38.487 0.030 0.000 1.051 48 N HN 0.240 nan 8.380 nan 0.000 0.440 49 T N 2.142 116.728 114.554 0.053 0.000 0.788 49 T HA -0.065 4.285 4.350 0.001 0.000 0.746 49 T C -2.591 172.112 174.700 0.006 0.000 0.988 49 T CA -0.053 62.082 62.100 0.059 0.000 3.940 49 T CB -0.880 68.065 68.868 0.129 0.000 2.225 49 T HN 0.466 nan 8.240 nan 0.000 0.384 50 P HA 0.489 nan 4.420 nan 0.000 0.276 50 P C -0.403 176.864 177.300 -0.055 0.000 1.243 50 P CA -0.306 62.783 63.100 -0.019 0.000 0.768 50 P CB 0.651 32.349 31.700 -0.004 0.000 0.856 51 L N 3.298 124.476 121.223 -0.075 0.000 2.385 51 L HA 0.412 4.752 4.340 0.001 0.000 0.273 51 L C 0.519 177.353 176.870 -0.059 0.000 0.990 51 L CA -0.988 53.788 54.840 -0.108 0.000 0.821 51 L CB 2.396 44.346 42.059 -0.181 0.000 1.279 51 L HN 0.212 nan 8.230 nan 0.000 0.412 52 K N 2.109 122.483 120.400 -0.044 0.000 2.298 52 K HA 0.218 4.539 4.320 0.001 0.000 0.280 52 K C -0.360 176.236 176.600 -0.007 0.000 1.032 52 K CA -0.696 55.580 56.287 -0.019 0.000 0.958 52 K CB 0.540 33.034 32.500 -0.010 0.000 0.978 52 K HN 0.370 nan 8.250 nan 0.000 0.472 53 N N 1.072 119.774 118.700 0.003 0.000 2.416 53 N HA 0.063 4.803 4.740 0.001 0.000 0.246 53 N C -0.154 175.374 175.510 0.029 0.000 1.260 53 N CA 0.392 53.453 53.050 0.019 0.000 0.897 53 N CB 0.850 39.348 38.487 0.018 0.000 1.110 53 N HN 0.533 nan 8.380 nan 0.000 0.439 54 T N -1.084 113.501 114.554 0.052 0.000 2.802 54 T HA 0.428 4.778 4.350 0.001 0.000 0.311 54 T C -1.311 173.430 174.700 0.069 0.000 1.405 54 T CA -0.580 61.551 62.100 0.052 0.000 1.016 54 T CB 0.845 69.741 68.868 0.046 0.000 1.352 54 T HN 0.251 nan 8.240 nan 0.000 0.498 55 S N 1.101 116.827 115.700 0.042 0.000 2.475 55 S HA 0.822 5.292 4.470 0.001 0.000 0.298 55 S C -1.204 173.404 174.600 0.014 0.000 1.119 55 S CA -0.448 57.774 58.200 0.037 0.000 1.085 55 S CB 0.978 64.188 63.200 0.017 0.000 1.028 55 S HN 0.576 nan 8.310 nan 0.000 0.489 56 V N 5.397 125.321 119.914 0.017 0.000 2.668 56 V HA 0.454 4.574 4.120 0.001 0.000 0.304 56 V C -0.641 175.421 176.094 -0.052 0.000 1.071 56 V CA -0.672 61.593 62.300 -0.058 0.000 0.894 56 V CB 1.911 33.633 31.823 -0.168 0.000 1.008 56 V HN 0.829 nan 8.190 nan 0.000 0.425 57 L N 4.526 125.702 121.223 -0.079 0.000 2.292 57 L HA 0.898 5.239 4.340 0.001 0.000 0.284 57 L C 0.560 177.375 176.870 -0.092 0.000 1.065 57 L CA 0.397 55.197 54.840 -0.065 0.000 0.806 57 L CB 1.250 43.276 42.059 -0.055 0.000 1.175 57 L HN 0.824 nan 8.230 nan 0.000 0.431 58 G N 1.463 110.223 108.800 -0.067 0.000 2.870 58 G HA2 0.490 4.451 3.960 0.001 0.000 0.299 58 G HA3 0.490 4.451 3.960 0.001 0.000 0.299 58 G C 0.231 175.103 174.900 -0.048 0.000 1.324 58 G CA 0.093 45.146 45.100 -0.078 0.000 0.808 58 G HN 0.708 nan 8.290 nan 0.000 0.535 59 A N -0.764 122.029 122.820 -0.046 0.000 1.908 59 A HA 0.157 4.477 4.320 0.001 0.000 0.218 59 A C 2.362 179.946 177.584 -0.001 0.000 1.181 59 A CA 2.491 54.515 52.037 -0.022 0.000 0.627 59 A CB -0.964 18.026 19.000 -0.017 0.000 0.818 59 A HN 1.541 nan 8.150 nan 0.000 0.445 60 G N -1.377 107.431 108.800 0.013 0.000 2.882 60 G HA2 0.435 4.396 3.960 0.001 0.000 0.206 60 G HA3 0.435 4.396 3.960 0.001 0.000 0.206 60 G C 0.943 175.840 174.900 -0.005 0.000 1.155 60 G CA 0.681 45.792 45.100 0.019 0.000 0.800 60 G HN 1.660 nan 8.290 nan 0.000 0.524 61 G N -0.801 107.991 108.800 -0.013 0.000 2.660 61 G HA2 -0.092 3.869 3.960 0.001 0.000 0.247 61 G HA3 -0.092 3.869 3.960 0.001 0.000 0.247 61 G C -0.338 174.546 174.900 -0.026 0.000 1.328 61 G CA -0.169 44.919 45.100 -0.020 0.000 0.884 61 G HN 0.642 nan 8.290 nan 0.000 0.531 62 Q N -0.397 119.389 119.800 -0.024 0.000 2.337 62 Q HA 0.561 4.902 4.340 0.001 0.000 0.270 62 Q C 0.289 176.274 176.000 -0.025 0.000 1.002 62 Q CA 1.028 56.819 55.803 -0.020 0.000 0.888 62 Q CB 0.858 29.587 28.738 -0.014 0.000 1.222 62 Q HN 1.067 nan 8.270 nan 0.000 0.400 63 T N 3.644 118.195 114.554 -0.004 0.000 2.985 63 T HA 0.202 4.553 4.350 0.001 0.000 0.315 63 T C 0.238 174.976 174.700 0.063 0.000 1.001 63 T CA -0.672 61.419 62.100 -0.015 0.000 1.016 63 T CB 0.630 69.419 68.868 -0.133 0.000 0.993 63 T HN 0.708 nan 8.240 nan 0.000 0.454 64 Q N 2.640 122.469 119.800 0.048 0.000 2.224 64 Q HA -0.054 4.287 4.340 0.001 0.000 0.203 64 Q C 1.088 177.146 176.000 0.096 0.000 0.970 64 Q CA 1.320 57.162 55.803 0.064 0.000 0.865 64 Q CB 0.144 28.907 28.738 0.042 0.000 0.922 64 Q HN 0.847 nan 8.270 nan 0.000 0.445 65 D N -1.075 119.399 120.400 0.122 0.000 2.355 65 D HA -0.068 4.573 4.640 0.001 0.000 0.206 65 D C 1.498 177.913 176.300 0.193 0.000 1.010 65 D CA 0.492 54.584 54.000 0.153 0.000 0.875 65 D CB -0.484 40.405 40.800 0.148 0.000 0.966 65 D HN 0.405 nan 8.370 nan 0.000 0.512 66 H N -1.064 118.004 119.070 -0.004 0.000 2.431 66 H HA 0.161 4.718 4.556 0.001 0.000 0.295 66 H C 0.039 175.158 175.328 -0.348 0.000 1.038 66 H CA 0.306 56.240 56.048 -0.190 0.000 1.360 66 H CB 0.447 30.053 29.762 -0.261 0.000 1.433 66 H HN 0.037 nan 8.280 nan 0.000 0.536 67 F N 1.006 121.053 119.950 0.163 0.000 2.522 67 F HA 0.371 4.898 4.527 0.001 0.000 0.324 67 F C 0.170 175.992 175.800 0.037 0.000 1.077 67 F CA -0.882 57.174 58.000 0.093 0.000 0.944 67 F CB 1.750 40.801 39.000 0.085 0.000 1.175 67 F HN -0.250 nan 8.300 nan 0.000 0.468 68 K N 1.741 122.248 120.400 0.179 0.000 2.352 68 K HA 0.697 5.018 4.320 0.001 0.000 0.240 68 K C -1.758 174.869 176.600 0.046 0.000 1.017 68 K CA -1.212 55.116 56.287 0.068 0.000 0.851 68 K CB 2.682 35.169 32.500 -0.021 0.000 1.261 68 K HN 0.349 nan 8.250 nan 0.000 0.451 69 L N 1.160 122.382 121.223 -0.002 0.000 2.346 69 L HA 0.260 4.601 4.340 0.001 0.000 0.276 69 L C -0.174 176.665 176.870 -0.051 0.000 1.006 69 L CA -0.101 54.734 54.840 -0.009 0.000 0.817 69 L CB 1.753 43.815 42.059 0.004 0.000 1.272 69 L HN 0.789 nan 8.230 nan 0.000 0.421 70 T N 0.245 114.777 114.554 -0.036 0.000 2.919 70 T HA 0.157 4.508 4.350 0.001 0.000 0.302 70 T C 1.061 175.763 174.700 0.002 0.000 1.031 70 T CA -0.160 61.919 62.100 -0.035 0.000 1.127 70 T CB 0.760 69.680 68.868 0.086 0.000 0.952 70 T HN 0.600 nan 8.240 nan 0.000 0.540 71 S N 1.944 117.647 115.700 0.005 0.000 2.395 71 S HA 0.192 4.662 4.470 0.001 0.000 0.225 71 S C 0.694 175.321 174.600 0.044 0.000 1.027 71 S CA 0.322 58.535 58.200 0.021 0.000 0.965 71 S CB -0.374 62.837 63.200 0.019 0.000 0.812 71 S HN 0.588 nan 8.310 nan 0.000 0.482 72 L N 1.162 122.430 121.223 0.076 0.000 2.333 72 L HA 0.475 4.815 4.340 0.001 0.000 0.269 72 L C -2.655 174.267 176.870 0.086 0.000 1.010 72 L CA -2.763 52.123 54.840 0.077 0.000 0.818 72 L CB 1.421 43.532 42.059 0.088 0.000 1.306 72 L HN -0.137 nan 8.230 nan 0.000 0.430 73 P HA 0.035 nan 4.420 nan 0.000 0.268 73 P C -1.093 176.243 177.300 0.061 0.000 1.208 73 P CA -0.119 63.012 63.100 0.053 0.000 0.777 73 P CB 0.600 32.320 31.700 0.033 0.000 0.875 74 V N 3.785 123.733 119.914 0.056 0.000 2.448 74 V HA 0.249 4.369 4.120 0.001 0.000 0.295 74 V C 0.013 176.112 176.094 0.009 0.000 1.025 74 V CA -0.687 61.638 62.300 0.040 0.000 0.859 74 V CB 1.353 33.220 31.823 0.074 0.000 0.988 74 V HN 0.328 nan 8.190 nan 0.000 0.431 75 L N 6.087 127.301 121.223 -0.016 0.000 2.292 75 L HA 0.569 4.909 4.340 0.001 0.000 0.284 75 L C -0.268 176.580 176.870 -0.037 0.000 1.065 75 L CA -0.002 54.823 54.840 -0.025 0.000 0.806 75 L CB 1.273 43.311 42.059 -0.036 0.000 1.175 75 L HN 0.517 nan 8.230 nan 0.000 0.431 76 I N 3.668 124.219 120.570 -0.032 0.000 2.439 76 I HA 0.335 4.506 4.170 0.001 0.000 0.283 76 I C -0.234 175.849 176.117 -0.057 0.000 1.023 76 I CA -0.753 60.522 61.300 -0.041 0.000 1.100 76 I CB 1.780 39.765 38.000 -0.024 0.000 1.238 76 I HN 0.498 nan 8.210 nan 0.000 0.445 77 R N 5.751 126.205 120.500 -0.077 0.000 2.265 77 R HA 0.654 4.995 4.340 0.001 0.000 0.319 77 R C -0.609 175.603 176.300 -0.146 0.000 1.006 77 R CA -0.227 55.813 56.100 -0.100 0.000 0.880 77 R CB 1.161 31.405 30.300 -0.093 0.000 1.077 77 R HN 0.532 nan 8.270 nan 0.000 0.454 78 L N 4.293 125.383 121.223 -0.221 0.000 2.365 78 L HA 0.463 4.804 4.340 0.001 0.000 0.267 78 L C -1.282 175.285 176.870 -0.505 0.000 1.033 78 L CA -2.245 52.357 54.840 -0.397 0.000 0.802 78 L CB 1.191 42.915 42.059 -0.560 0.000 1.267 78 L HN 0.435 nan 8.230 nan 0.000 0.457 79 P HA -0.132 nan 4.420 nan 0.000 0.214 79 P C 1.164 178.273 177.300 -0.318 0.000 1.162 79 P CA 1.488 64.346 63.100 -0.404 0.000 0.879 79 P CB 0.099 31.641 31.700 -0.263 0.000 0.786 80 F N -0.883 119.066 119.950 -0.001 0.000 1.999 80 F HA 0.055 4.583 4.527 0.001 0.000 0.293 80 F C 1.199 176.997 175.800 -0.003 0.000 1.173 80 F CA 0.204 58.203 58.000 -0.002 0.000 1.162 80 F CB -1.897 37.102 39.000 -0.001 0.000 0.981 80 F HN -0.411 nan 8.300 nan 0.000 0.479 81 R N 2.349 122.974 120.500 0.209 0.000 2.502 81 R HA -0.002 4.339 4.340 0.001 0.000 0.292 81 R C 1.516 177.818 176.300 0.003 0.000 0.998 81 R CA 0.812 56.981 56.100 0.114 0.000 1.056 81 R CB 0.180 30.567 30.300 0.145 0.000 0.939 81 R HN 0.619 nan 8.270 nan 0.000 0.411 82 T N -1.427 113.136 114.554 0.014 0.000 2.857 82 T HA -0.108 4.243 4.350 0.001 0.000 0.266 82 T C 1.139 175.828 174.700 -0.017 0.000 1.048 82 T CA 1.083 63.178 62.100 -0.008 0.000 1.139 82 T CB -0.126 68.743 68.868 0.002 0.000 0.874 82 T HN 0.630 nan 8.240 nan 0.000 0.455 83 T N 1.972 116.524 114.554 -0.004 0.000 2.845 83 T HA 0.582 4.932 4.350 0.001 0.000 0.288 83 T C -2.643 172.050 174.700 -0.011 0.000 0.980 83 T CA -1.856 60.240 62.100 -0.006 0.000 1.071 83 T CB 1.281 70.152 68.868 0.004 0.000 0.941 83 T HN 0.154 nan 8.240 nan 0.000 0.487 84 P HA 0.440 nan 4.420 nan 0.000 0.281 84 P C -0.463 176.831 177.300 -0.010 0.000 1.249 84 P CA -0.778 62.307 63.100 -0.023 0.000 0.810 84 P CB 0.807 32.491 31.700 -0.028 0.000 1.008 85 I N 1.289 121.852 120.570 -0.011 0.000 2.496 85 I HA 0.098 4.269 4.170 0.001 0.000 0.285 85 I C 0.176 176.292 176.117 -0.001 0.000 1.080 85 I CA -0.259 61.041 61.300 0.000 0.000 1.404 85 I CB 0.786 38.787 38.000 0.003 0.000 1.403 85 I HN 0.022 nan 8.210 nan 0.000 0.539 86 V N 7.820 127.737 119.914 0.005 0.000 2.350 86 V HA 0.357 4.478 4.120 0.001 0.000 0.285 86 V C -0.044 176.058 176.094 0.013 0.000 1.014 86 V CA -0.582 61.722 62.300 0.007 0.000 0.831 86 V CB 1.107 32.933 31.823 0.006 0.000 1.000 86 V HN 0.447 nan 8.190 nan 0.000 0.433 87 L N 4.023 125.257 121.223 0.018 0.000 2.275 87 L HA 0.357 4.697 4.340 0.001 0.000 0.288 87 L C 1.618 178.505 176.870 0.028 0.000 1.046 87 L CA -0.242 54.612 54.840 0.023 0.000 0.805 87 L CB 1.516 43.592 42.059 0.030 0.000 1.193 87 L HN 0.613 nan 8.230 nan 0.000 0.426 88 T N 0.256 114.824 114.554 0.023 0.000 2.759 88 T HA -0.126 4.224 4.350 0.001 0.000 0.269 88 T C 0.744 175.463 174.700 0.032 0.000 1.042 88 T CA 1.482 63.596 62.100 0.024 0.000 1.140 88 T CB -0.041 68.837 68.868 0.016 0.000 0.864 88 T HN 0.629 nan 8.240 nan 0.000 0.455 89 S N -0.646 115.073 115.700 0.032 0.000 2.542 89 S HA 0.534 5.005 4.470 0.001 0.000 0.276 89 S C -1.053 173.570 174.600 0.038 0.000 1.148 89 S CA -0.840 57.382 58.200 0.037 0.000 0.886 89 S CB 1.101 64.314 63.200 0.022 0.000 1.109 89 S HN 0.633 nan 8.310 nan 0.000 0.458 90 C N 3.567 122.899 119.300 0.055 0.000 3.318 90 C HA 0.760 5.220 4.460 0.001 0.000 0.322 90 C C -0.955 174.074 174.990 0.065 0.000 1.398 90 C CA -1.065 57.984 59.018 0.053 0.000 1.339 90 C CB -0.235 27.545 27.740 0.068 0.000 1.668 90 C HN 0.990 nan 8.230 nan 0.000 0.462 91 L N 1.555 122.811 121.223 0.056 0.000 2.436 91 L HA 0.628 4.969 4.340 0.001 0.000 0.265 91 L C -0.234 176.746 176.870 0.184 0.000 1.168 91 L CA -0.319 54.575 54.840 0.091 0.000 0.815 91 L CB 1.188 43.246 42.059 -0.002 0.000 1.109 91 L HN 0.637 nan 8.230 nan 0.000 0.462 92 V N 0.944 120.991 119.914 0.222 0.000 2.443 92 V HA 0.152 4.272 4.120 0.001 0.000 0.293 92 V C -0.557 175.689 176.094 0.253 0.000 1.021 92 V CA -0.696 61.724 62.300 0.201 0.000 0.848 92 V CB 1.621 33.424 31.823 -0.035 0.000 0.998 92 V HN 0.636 nan 8.190 nan 0.000 0.424 93 D N 3.548 124.115 120.400 0.277 0.000 2.339 93 D HA 0.178 4.819 4.640 0.001 0.000 0.256 93 D C 1.324 177.599 176.300 -0.041 0.000 1.214 93 D CA 0.529 54.570 54.000 0.068 0.000 0.877 93 D CB 1.802 42.747 40.800 0.242 0.000 1.111 93 D HN 0.700 nan 8.370 nan 0.000 0.478 94 T N 1.239 115.693 114.554 -0.166 0.000 3.010 94 T HA -0.013 4.338 4.350 0.001 0.000 0.252 94 T C 1.690 176.277 174.700 -0.189 0.000 1.047 94 T CA 0.446 62.464 62.100 -0.137 0.000 1.140 94 T CB 0.009 68.801 68.868 -0.127 0.000 0.885 94 T HN 0.330 nan 8.240 nan 0.000 0.464 95 K N 1.263 121.479 120.400 -0.306 0.000 1.967 95 K HA -0.006 4.315 4.320 0.001 0.000 0.212 95 K C 1.386 177.820 176.600 -0.276 0.000 1.044 95 K CA 0.905 56.984 56.287 -0.347 0.000 0.942 95 K CB -0.036 32.103 32.500 -0.601 0.000 0.726 95 K HN 0.228 nan 8.250 nan 0.000 0.440 96 N N 0.341 118.854 118.700 -0.312 0.000 2.471 96 N HA 0.033 4.774 4.740 0.001 0.000 0.290 96 N C -0.465 174.909 175.510 -0.227 0.000 1.345 96 N CA 0.135 52.971 53.050 -0.356 0.000 0.920 96 N CB 0.099 38.158 38.487 -0.714 0.000 1.093 96 N HN 0.163 nan 8.380 nan 0.000 0.499 97 N N -0.663 117.893 118.700 -0.241 0.000 2.716 97 N HA 0.131 4.872 4.740 0.001 0.000 0.245 97 N C -1.134 174.374 175.510 -0.004 0.000 1.495 97 N CA -0.356 52.651 53.050 -0.072 0.000 0.759 97 N CB 0.998 39.457 38.487 -0.047 0.000 1.261 97 N HN 0.358 nan 8.380 nan 0.000 0.515 98 W N 1.442 122.779 121.300 0.062 0.000 2.218 98 W HA 0.524 5.184 4.660 0.000 0.000 0.326 98 W C 0.135 176.713 176.519 0.098 0.000 1.276 98 W CA -0.661 56.739 57.345 0.092 0.000 1.210 98 W CB 1.053 30.602 29.460 0.149 0.000 1.143 98 W HN 0.172 nan 8.180 nan 0.000 0.563 99 A N 5.826 128.872 122.820 0.377 0.000 2.332 99 A HA 0.759 5.080 4.320 0.001 0.000 0.300 99 A C -1.109 176.581 177.584 0.176 0.000 1.153 99 A CA -0.559 51.610 52.037 0.221 0.000 0.764 99 A CB 0.489 19.580 19.000 0.152 0.000 1.174 99 A HN 0.490 nan 8.150 nan 0.000 0.467 100 I N 3.971 124.613 120.570 0.119 0.000 2.512 100 I HA 0.272 4.443 4.170 0.001 0.000 0.287 100 I C -0.899 175.239 176.117 0.035 0.000 1.069 100 I CA -0.608 60.721 61.300 0.049 0.000 1.056 100 I CB 1.907 39.891 38.000 -0.026 0.000 1.229 100 I HN 0.406 nan 8.210 nan 0.000 0.429 101 I N 5.414 126.002 120.570 0.030 0.000 2.322 101 I HA 0.317 4.488 4.170 0.001 0.000 0.292 101 I C 0.993 177.115 176.117 0.008 0.000 1.060 101 I CA 0.297 61.612 61.300 0.025 0.000 1.309 101 I CB 0.352 38.373 38.000 0.034 0.000 1.415 101 I HN 0.653 nan 8.210 nan 0.000 0.492 102 G N 6.201 114.999 108.800 -0.002 0.000 2.583 102 G HA2 0.376 4.337 3.960 0.001 0.000 0.280 102 G HA3 0.376 4.337 3.960 0.001 0.000 0.280 102 G C 0.887 175.784 174.900 -0.006 0.000 1.376 102 G CA -0.475 44.614 45.100 -0.017 0.000 1.043 102 G HN 0.544 nan 8.290 nan 0.000 0.538 103 R N -0.296 120.196 120.500 -0.013 0.000 2.115 103 R HA -0.048 4.293 4.340 0.001 0.000 0.226 103 R C 2.284 178.584 176.300 -0.000 0.000 1.100 103 R CA 1.366 57.463 56.100 -0.005 0.000 0.980 103 R CB -0.169 30.125 30.300 -0.011 0.000 0.875 103 R HN 0.710 nan 8.270 nan 0.000 0.445 104 D N 1.223 121.620 120.400 -0.004 0.000 2.133 104 D HA -0.241 4.399 4.640 0.001 0.000 0.192 104 D C 1.636 177.941 176.300 0.009 0.000 1.001 104 D CA 1.908 55.908 54.000 0.001 0.000 0.844 104 D CB -0.479 40.320 40.800 -0.001 0.000 0.944 104 D HN 0.210 nan 8.370 nan 0.000 0.447 105 A N 0.323 123.150 122.820 0.013 0.000 1.872 105 A HA 0.077 4.398 4.320 0.001 0.000 0.214 105 A C 2.608 180.209 177.584 0.028 0.000 1.187 105 A CA 0.982 53.031 52.037 0.020 0.000 0.614 105 A CB -0.823 18.189 19.000 0.021 0.000 0.826 105 A HN 0.269 nan 8.150 nan 0.000 0.442 106 L N -0.541 120.698 121.223 0.027 0.000 2.141 106 L HA -0.220 4.121 4.340 0.001 0.000 0.209 106 L C 2.869 179.758 176.870 0.032 0.000 1.094 106 L CA 1.629 56.491 54.840 0.036 0.000 0.763 106 L CB -0.433 41.644 42.059 0.030 0.000 0.908 106 L HN 0.618 nan 8.230 nan 0.000 0.437 107 Q N 0.175 119.988 119.800 0.021 0.000 2.050 107 Q HA -0.269 4.072 4.340 0.001 0.000 0.202 107 Q C 2.161 178.174 176.000 0.021 0.000 0.980 107 Q CA 1.625 57.439 55.803 0.018 0.000 0.840 107 Q CB -0.064 28.681 28.738 0.011 0.000 0.898 107 Q HN 0.519 nan 8.270 nan 0.000 0.424 108 Q N -0.551 119.262 119.800 0.022 0.000 2.297 108 Q HA -0.148 4.192 4.340 0.001 0.000 0.208 108 Q C 1.687 177.707 176.000 0.034 0.000 0.981 108 Q CA 1.271 57.088 55.803 0.024 0.000 0.876 108 Q CB -0.051 28.699 28.738 0.020 0.000 0.921 108 Q HN 0.641 nan 8.270 nan 0.000 0.446 109 C N -2.007 117.321 119.300 0.046 0.000 2.742 109 C HA 0.405 4.866 4.460 0.001 0.000 0.283 109 C C 0.172 175.194 174.990 0.053 0.000 1.451 109 C CA -0.762 58.296 59.018 0.066 0.000 1.785 109 C CB -0.632 27.175 27.740 0.113 0.000 2.664 109 C HN 0.419 nan 8.230 nan 0.000 0.544 110 Q N 0.776 120.595 119.800 0.033 0.000 2.457 110 Q HA -0.151 4.189 4.340 0.001 0.000 0.283 110 Q C 0.770 176.778 176.000 0.014 0.000 1.234 110 Q CA 0.807 56.621 55.803 0.019 0.000 0.877 110 Q CB -1.585 27.160 28.738 0.012 0.000 1.250 110 Q HN 1.009 nan 8.270 nan 0.000 0.481 111 G N 0.071 108.885 108.800 0.024 0.000 2.441 111 G HA2 0.417 4.377 3.960 0.001 0.000 0.243 111 G HA3 0.417 4.377 3.960 0.001 0.000 0.243 111 G C 0.126 175.036 174.900 0.017 0.000 1.281 111 G CA 0.193 45.304 45.100 0.019 0.000 0.854 111 G HN 0.522 nan 8.290 nan 0.000 0.560 112 V N 0.563 120.488 119.914 0.018 0.000 3.040 112 V HA 0.729 4.849 4.120 0.001 0.000 0.312 112 V C -0.320 175.801 176.094 0.046 0.000 1.115 112 V CA -1.397 60.921 62.300 0.030 0.000 0.998 112 V CB 1.923 33.766 31.823 0.034 0.000 1.042 112 V HN 0.610 nan 8.190 nan 0.000 0.433 113 L N 2.947 124.202 121.223 0.052 0.000 2.282 113 L HA 0.534 4.875 4.340 0.001 0.000 0.288 113 L C -1.299 175.635 176.870 0.108 0.000 1.033 113 L CA -0.652 54.224 54.840 0.059 0.000 0.807 113 L CB 1.503 43.576 42.059 0.023 0.000 1.209 113 L HN 0.874 nan 8.230 nan 0.000 0.423 114 Y N 5.220 125.512 120.300 -0.012 0.000 2.334 114 Y HA 0.492 5.043 4.550 0.001 0.000 0.336 114 Y C -1.285 174.609 175.900 -0.010 0.000 0.960 114 Y CA -0.961 57.131 58.100 -0.012 0.000 1.164 114 Y CB 1.034 39.485 38.460 -0.015 0.000 1.155 114 Y HN 0.315 nan 8.280 nan 0.000 0.478 115 L N 9.122 129.994 121.223 -0.587 0.000 2.276 115 L HA 0.527 4.867 4.340 0.001 0.000 0.286 115 L C -1.814 174.567 176.870 -0.815 0.000 1.024 115 L CA -2.146 52.371 54.840 -0.538 0.000 0.826 115 L CB 0.394 42.299 42.059 -0.256 0.000 1.211 115 L HN 0.674 nan 8.230 nan 0.000 0.422 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.822 63.100 -0.463 0.000 0.800 116 P CB 0.000 31.602 31.700 -0.164 0.000 0.726