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 1dyn_1_B DATA FIRST_RESID 10 DATA SEQUENCE ILVIRKGWLT INNIGIMKGG SKEYWFVLTA ENLSWYKDDE EKEKKYMLSV DATA SEQUENCE DNLKLRDVEK GFMSSKHIFA LFNTEQRNVY KDYRQLELAC ETQEEVDSWK DATA SEQUENCE ASFLRAGVYP ERV 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 10 I HA 0.000 nan 4.170 nan 0.000 0.288 10 I C 0.000 176.120 176.117 0.006 0.000 1.063 10 I CA 0.000 61.305 61.300 0.008 0.000 1.566 10 I CB 0.000 38.009 38.000 0.015 0.000 1.214 11 L N 4.912 126.135 121.223 0.001 0.000 2.289 11 L HA 0.798 5.138 4.340 0.001 0.000 0.285 11 L C -0.795 176.069 176.870 -0.010 0.000 1.049 11 L CA -0.994 53.842 54.840 -0.006 0.000 0.804 11 L CB 1.473 43.526 42.059 -0.011 0.000 1.195 11 L HN 0.617 nan 8.230 nan 0.000 0.428 12 V N 6.833 126.738 119.914 -0.015 0.000 2.432 12 V HA 0.140 4.261 4.120 0.001 0.000 0.271 12 V C 1.130 177.188 176.094 -0.060 0.000 1.046 12 V CA -0.017 62.268 62.300 -0.025 0.000 0.945 12 V CB 1.349 33.163 31.823 -0.014 0.000 0.992 12 V HN 0.805 nan 8.190 nan 0.000 0.471 13 I N 3.333 123.852 120.570 -0.084 0.000 2.400 13 I HA 0.128 4.298 4.170 0.001 0.000 0.248 13 I C 1.203 177.189 176.117 -0.217 0.000 1.109 13 I CA 0.909 62.127 61.300 -0.136 0.000 1.425 13 I CB 0.157 38.070 38.000 -0.145 0.000 1.094 13 I HN 0.579 nan 8.210 nan 0.000 0.425 14 R N 0.558 120.912 120.500 -0.243 0.000 2.634 14 R HA 0.363 4.703 4.340 0.001 0.000 0.263 14 R C -1.721 174.416 176.300 -0.272 0.000 1.060 14 R CA -0.651 55.228 56.100 -0.368 0.000 0.898 14 R CB 1.704 31.555 30.300 -0.750 0.000 1.253 14 R HN -0.135 nan 8.270 nan 0.000 0.461 15 K N 1.427 121.647 120.400 -0.300 0.000 2.427 15 K HA 0.698 5.019 4.320 0.001 0.000 0.252 15 K C -0.900 175.322 176.600 -0.629 0.000 0.931 15 K CA -0.895 55.119 56.287 -0.454 0.000 0.793 15 K CB 2.413 34.758 32.500 -0.259 0.000 1.211 15 K HN 0.811 nan 8.250 nan 0.000 0.426 16 G N 1.467 109.713 108.800 -0.925 0.000 2.441 16 G HA2 0.334 4.294 3.960 0.001 0.000 0.294 16 G HA3 0.334 4.294 3.960 0.001 0.000 0.294 16 G C -2.200 172.555 174.900 -0.242 0.000 1.393 16 G CA -0.996 43.836 45.100 -0.447 0.000 0.796 16 G HN 0.421 nan 8.290 nan 0.000 0.494 17 W N -0.221 121.246 121.300 0.278 0.000 2.376 17 W HA 0.770 5.433 4.660 0.004 0.000 0.322 17 W C 0.118 176.748 176.519 0.185 0.000 1.160 17 W CA -0.483 57.071 57.345 0.348 0.000 1.218 17 W CB 1.562 31.244 29.460 0.370 0.000 1.205 17 W HN 0.273 nan 8.180 nan 0.000 0.559 18 L N 2.364 123.843 121.223 0.428 0.000 2.482 18 L HA 0.372 4.712 4.340 0.001 0.000 0.263 18 L C -0.265 176.725 176.870 0.201 0.000 0.957 18 L CA -0.802 54.056 54.840 0.030 0.000 0.836 18 L CB 2.433 44.065 42.059 -0.712 0.000 1.324 18 L HN 0.210 nan 8.230 nan 0.000 0.406 19 T N 3.570 118.166 114.554 0.069 0.000 2.817 19 T HA 0.461 4.811 4.350 0.001 0.000 0.293 19 T C 0.146 174.854 174.700 0.013 0.000 0.964 19 T CA -0.112 62.041 62.100 0.089 0.000 1.085 19 T CB 0.563 69.459 68.868 0.047 0.000 0.921 19 T HN 0.243 nan 8.240 nan 0.000 0.502 20 I N 4.057 124.691 120.570 0.108 0.000 2.322 20 I HA 0.136 4.307 4.170 0.001 0.000 0.292 20 I C 1.272 177.381 176.117 -0.014 0.000 1.060 20 I CA -0.289 61.007 61.300 -0.008 0.000 1.309 20 I CB 0.912 38.928 38.000 0.026 0.000 1.415 20 I HN 0.621 nan 8.210 nan 0.000 0.492 21 N N 4.771 123.424 118.700 -0.078 0.000 2.376 21 N HA -0.102 4.638 4.740 0.001 0.000 0.177 21 N C 1.252 176.732 175.510 -0.049 0.000 1.024 21 N CA 0.825 53.843 53.050 -0.053 0.000 0.893 21 N CB 0.221 38.673 38.487 -0.059 0.000 0.980 21 N HN 0.643 nan 8.380 nan 0.000 0.439 22 N N -0.210 118.453 118.700 -0.061 0.000 2.203 22 N HA 0.071 4.811 4.740 0.001 0.000 0.207 22 N C -0.787 174.727 175.510 0.007 0.000 1.130 22 N CA 0.028 53.067 53.050 -0.018 0.000 0.861 22 N CB 0.328 38.821 38.487 0.009 0.000 1.005 22 N HN 0.072 nan 8.380 nan 0.000 0.507 23 I N 0.930 121.469 120.570 -0.053 0.000 2.697 23 I HA 0.581 4.751 4.170 0.001 0.000 0.279 23 I C 0.065 176.212 176.117 0.050 0.000 1.171 23 I CA -0.402 60.866 61.300 -0.053 0.000 1.135 23 I CB 1.413 39.252 38.000 -0.268 0.000 1.445 23 I HN 0.185 nan 8.210 nan 0.000 0.541 24 G N 3.520 112.361 108.800 0.069 0.000 2.702 24 G HA2 0.783 4.743 3.960 0.001 0.000 0.296 24 G HA3 0.783 4.743 3.960 0.001 0.000 0.296 24 G C -1.195 173.735 174.900 0.050 0.000 1.463 24 G CA -0.236 44.904 45.100 0.067 0.000 0.890 24 G HN 0.278 nan 8.290 nan 0.000 0.534 25 I N -0.145 120.453 120.570 0.046 0.000 3.114 25 I HA 0.243 4.413 4.170 0.001 0.000 0.329 25 I C 0.238 176.373 176.117 0.029 0.000 1.544 25 I CA -0.937 60.381 61.300 0.030 0.000 0.979 25 I CB 1.080 39.099 38.000 0.031 0.000 1.186 25 I HN 0.459 nan 8.210 nan 0.000 0.439 26 M N 1.230 120.844 119.600 0.024 0.000 2.619 26 M HA 0.110 4.590 4.480 0.001 0.000 0.251 26 M C 1.017 177.335 176.300 0.030 0.000 1.106 26 M CA 1.242 56.555 55.300 0.022 0.000 1.086 26 M CB -0.822 31.787 32.600 0.015 0.000 1.465 26 M HN 0.230 nan 8.290 nan 0.000 0.506 27 K N -0.285 120.139 120.400 0.039 0.000 2.311 27 K HA 0.363 4.684 4.320 0.001 0.000 0.206 27 K C 0.956 177.592 176.600 0.060 0.000 1.056 27 K CA 0.591 56.907 56.287 0.048 0.000 1.051 27 K CB -0.824 31.709 32.500 0.055 0.000 1.299 27 K HN 0.223 nan 8.250 nan 0.000 0.461 28 G N 0.853 109.701 108.800 0.081 0.000 2.327 28 G HA2 0.426 4.387 3.960 0.001 0.000 0.302 28 G HA3 0.426 4.387 3.960 0.001 0.000 0.302 28 G C -0.107 174.847 174.900 0.090 0.000 1.113 28 G CA -0.492 44.669 45.100 0.102 0.000 0.921 28 G HN 0.355 nan 8.290 nan 0.000 0.425 29 G N 1.369 110.209 108.800 0.067 0.000 2.594 29 G HA2 0.352 4.312 3.960 0.001 0.000 0.243 29 G HA3 0.352 4.312 3.960 0.001 0.000 0.243 29 G C 0.586 175.519 174.900 0.055 0.000 1.229 29 G CA -0.300 44.829 45.100 0.047 0.000 0.843 29 G HN 0.682 nan 8.290 nan 0.000 0.578 30 S N 0.973 116.697 115.700 0.040 0.000 2.670 30 S HA 0.074 4.544 4.470 0.001 0.000 0.308 30 S C 0.478 175.092 174.600 0.023 0.000 1.232 30 S CA 0.471 58.697 58.200 0.043 0.000 1.126 30 S CB 0.083 63.295 63.200 0.019 0.000 0.897 30 S HN 0.524 nan 8.310 nan 0.000 0.508 31 K N 2.005 122.424 120.400 0.031 0.000 2.313 31 K HA 0.489 4.809 4.320 0.001 0.000 0.235 31 K C -0.221 176.296 176.600 -0.137 0.000 1.035 31 K CA -0.859 55.353 56.287 -0.124 0.000 0.868 31 K CB 1.421 33.714 32.500 -0.345 0.000 1.232 31 K HN 0.533 nan 8.250 nan 0.000 0.459 32 E N 1.126 121.202 120.200 -0.206 0.000 2.171 32 E HA 0.276 4.626 4.350 0.001 0.000 0.271 32 E C -1.465 175.175 176.600 0.067 0.000 0.916 32 E CA -0.490 55.941 56.400 0.052 0.000 0.774 32 E CB 0.754 30.500 29.700 0.076 0.000 1.128 32 E HN 0.360 nan 8.360 nan 0.000 0.403 33 Y N 1.768 122.391 120.300 0.538 0.000 2.630 33 Y HA 0.344 4.897 4.550 0.005 0.000 0.337 33 Y C -0.676 175.431 175.900 0.345 0.000 1.051 33 Y CA -0.909 57.447 58.100 0.425 0.000 1.121 33 Y CB 1.128 39.621 38.460 0.054 0.000 1.299 33 Y HN 0.541 nan 8.280 nan 0.000 0.498 34 W N 3.417 124.655 121.300 -0.103 0.000 2.308 34 W HA 0.453 5.113 4.660 0.000 0.000 0.311 34 W C -2.026 174.467 176.519 -0.044 0.000 1.088 34 W CA -0.878 56.202 57.345 -0.442 0.000 1.309 34 W CB 0.458 29.488 29.460 -0.717 0.000 1.229 34 W HN 0.402 nan 8.180 nan 0.000 0.427 35 F N 4.272 124.020 119.950 -0.336 0.000 2.399 35 F HA 0.401 4.928 4.527 -0.000 0.000 0.334 35 F C 0.093 175.752 175.800 -0.235 0.000 1.097 35 F CA -0.613 57.314 58.000 -0.122 0.000 1.076 35 F CB 1.555 40.477 39.000 -0.131 0.000 1.162 35 F HN -0.130 nan 8.300 nan 0.000 0.495 36 V N 4.929 124.961 119.914 0.198 0.000 2.409 36 V HA 0.337 4.457 4.120 0.001 0.000 0.290 36 V C -0.924 175.287 176.094 0.195 0.000 1.017 36 V CA -0.686 61.690 62.300 0.127 0.000 0.841 36 V CB 1.559 33.495 31.823 0.188 0.000 1.003 36 V HN 0.512 nan 8.190 nan 0.000 0.426 37 L N 6.264 127.568 121.223 0.135 0.000 2.295 37 L HA 0.884 5.225 4.340 0.001 0.000 0.285 37 L C 0.399 177.289 176.870 0.034 0.000 1.035 37 L CA 0.704 55.611 54.840 0.112 0.000 0.806 37 L CB 1.805 43.893 42.059 0.048 0.000 1.214 37 L HN 0.870 nan 8.230 nan 0.000 0.426 38 T N 1.209 115.796 114.554 0.054 0.000 2.858 38 T HA 0.682 5.033 4.350 0.001 0.000 0.285 38 T C 0.852 175.567 174.700 0.025 0.000 1.052 38 T CA -0.230 61.885 62.100 0.025 0.000 1.009 38 T CB 1.191 70.079 68.868 0.033 0.000 1.241 38 T HN 0.634 nan 8.240 nan 0.000 0.542 39 A N -0.408 122.419 122.820 0.012 0.000 2.121 39 A HA 0.100 4.421 4.320 0.001 0.000 0.218 39 A C 1.738 179.335 177.584 0.021 0.000 1.154 39 A CA 1.103 53.147 52.037 0.011 0.000 0.679 39 A CB -0.755 18.248 19.000 0.005 0.000 0.795 39 A HN 0.891 nan 8.150 nan 0.000 0.458 40 E N -1.172 119.045 120.200 0.028 0.000 2.485 40 E HA 0.141 4.491 4.350 0.001 0.000 0.213 40 E C -0.481 176.144 176.600 0.041 0.000 0.923 40 E CA -0.161 56.256 56.400 0.029 0.000 1.054 40 E CB 0.398 30.109 29.700 0.018 0.000 1.077 40 E HN 0.500 nan 8.360 nan 0.000 0.509 41 N N 0.568 119.305 118.700 0.061 0.000 2.708 41 N HA 0.337 5.077 4.740 0.001 0.000 0.257 41 N C -1.845 173.751 175.510 0.143 0.000 1.373 41 N CA -0.621 52.478 53.050 0.081 0.000 0.843 41 N CB 2.517 41.026 38.487 0.038 0.000 1.503 41 N HN -0.107 nan 8.380 nan 0.000 0.504 42 L N 1.089 122.433 121.223 0.202 0.000 2.406 42 L HA 0.517 4.857 4.340 0.001 0.000 0.270 42 L C -1.026 176.056 176.870 0.353 0.000 0.982 42 L CA -0.012 55.025 54.840 0.328 0.000 0.843 42 L CB 1.240 43.551 42.059 0.420 0.000 1.225 42 L HN 0.483 nan 8.230 nan 0.000 0.412 43 S N 3.241 119.108 115.700 0.279 0.000 2.621 43 S HA 0.801 5.272 4.470 0.001 0.000 0.302 43 S C -1.385 173.315 174.600 0.167 0.000 1.093 43 S CA -0.471 57.773 58.200 0.074 0.000 1.017 43 S CB 1.182 64.329 63.200 -0.088 0.000 1.077 43 S HN 0.648 nan 8.310 nan 0.000 0.517 44 W N -0.022 120.996 121.300 -0.469 0.000 3.032 44 W HA 0.822 5.481 4.660 -0.002 0.000 0.335 44 W C -2.050 174.144 176.519 -0.541 0.000 1.154 44 W CA -1.037 55.919 57.345 -0.648 0.000 1.204 44 W CB 0.354 28.962 29.460 -1.420 0.000 1.416 44 W HN 0.509 nan 8.180 nan 0.000 0.521 45 Y N 1.221 121.565 120.300 0.073 0.000 2.662 45 Y HA 0.370 4.919 4.550 -0.001 0.000 0.335 45 Y C 1.487 177.559 175.900 0.286 0.000 1.066 45 Y CA -1.646 56.524 58.100 0.117 0.000 1.116 45 Y CB 1.601 40.142 38.460 0.135 0.000 1.308 45 Y HN 0.527 nan 8.280 nan 0.000 0.502 46 K N 0.416 121.062 120.400 0.412 0.000 2.103 46 K HA -0.035 4.285 4.320 0.001 0.000 0.204 46 K C -0.606 176.222 176.600 0.380 0.000 1.052 46 K CA 1.786 58.313 56.287 0.400 0.000 0.945 46 K CB -0.046 32.613 32.500 0.265 0.000 0.722 46 K HN 0.810 nan 8.250 nan 0.000 0.443 47 D N -1.997 118.559 120.400 0.261 0.000 2.664 47 D HA 0.010 4.651 4.640 0.001 0.000 0.292 47 D C -0.255 175.855 176.300 -0.317 0.000 1.214 47 D CA -0.411 53.670 54.000 0.134 0.000 0.932 47 D CB 0.072 40.987 40.800 0.191 0.000 1.420 47 D HN 0.035 nan 8.370 nan 0.000 0.471 48 D N -0.677 119.265 120.400 -0.763 0.000 2.392 48 D HA -0.142 4.498 4.640 0.001 0.000 0.228 48 D C 0.640 176.455 176.300 -0.808 0.000 1.003 48 D CA 0.517 53.543 54.000 -1.623 0.000 0.917 48 D CB 0.086 39.738 40.800 -1.913 0.000 0.890 48 D HN 0.334 nan 8.370 nan 0.000 0.532 49 E N 0.804 120.759 120.200 -0.409 0.000 2.371 49 E HA -0.076 4.275 4.350 0.001 0.000 0.194 49 E C 0.175 176.633 176.600 -0.237 0.000 1.012 49 E CA 0.125 56.379 56.400 -0.243 0.000 0.860 49 E CB -0.130 29.498 29.700 -0.119 0.000 0.811 49 E HN 0.507 nan 8.360 nan 0.000 0.502 50 E N 0.306 120.323 120.200 -0.305 0.000 2.297 50 E HA -0.255 4.096 4.350 0.001 0.000 0.228 50 E C 0.711 177.273 176.600 -0.063 0.000 1.213 50 E CA 0.357 56.502 56.400 -0.425 0.000 0.712 50 E CB -0.637 28.569 29.700 -0.823 0.000 1.202 50 E HN 0.172 nan 8.360 nan 0.000 0.376 51 K N 0.380 120.811 120.400 0.053 0.000 2.244 51 K HA 0.007 4.328 4.320 0.001 0.000 0.200 51 K C 0.889 177.571 176.600 0.137 0.000 1.052 51 K CA 0.584 56.917 56.287 0.076 0.000 0.980 51 K CB 0.314 32.836 32.500 0.038 0.000 0.838 51 K HN 0.256 nan 8.250 nan 0.000 0.481 52 E N 2.141 122.452 120.200 0.185 0.000 2.102 52 E HA 0.130 4.480 4.350 0.001 0.000 0.263 52 E C -1.204 175.482 176.600 0.143 0.000 0.894 52 E CA -0.507 55.977 56.400 0.140 0.000 0.746 52 E CB 1.106 30.875 29.700 0.116 0.000 1.129 52 E HN -0.153 nan 8.360 nan 0.000 0.416 53 K N 4.160 124.548 120.400 -0.020 0.000 2.227 53 K HA 0.196 4.516 4.320 0.001 0.000 0.280 53 K C 0.472 176.853 176.600 -0.365 0.000 1.041 53 K CA -0.576 55.470 56.287 -0.401 0.000 0.905 53 K CB 0.701 32.920 32.500 -0.469 0.000 1.068 53 K HN 0.410 nan 8.250 nan 0.000 0.470 54 K N 2.572 122.673 120.400 -0.498 0.000 2.211 54 K HA 0.004 4.324 4.320 0.001 0.000 0.201 54 K C -0.067 176.148 176.600 -0.642 0.000 1.052 54 K CA 0.809 56.808 56.287 -0.480 0.000 0.973 54 K CB 0.085 32.293 32.500 -0.488 0.000 0.766 54 K HN 0.569 nan 8.250 nan 0.000 0.466 55 Y N -0.866 118.700 120.300 -1.222 0.000 2.687 55 Y HA 0.333 4.883 4.550 0.000 0.000 0.338 55 Y C -1.812 173.478 175.900 -1.017 0.000 1.189 55 Y CA -1.118 56.271 58.100 -1.185 0.000 1.097 55 Y CB 1.372 38.809 38.460 -1.706 0.000 1.342 55 Y HN -0.121 nan 8.280 nan 0.000 0.461 56 M N 6.521 125.414 119.600 -1.179 0.000 2.067 56 M HA 0.494 4.975 4.480 0.001 0.000 0.286 56 M C -2.371 173.614 176.300 -0.526 0.000 0.922 56 M CA -0.959 53.959 55.300 -0.636 0.000 0.937 56 M CB 0.842 33.167 32.600 -0.457 0.000 1.550 56 M HN 0.598 nan 8.290 nan 0.000 0.433 57 L N 3.806 125.001 121.223 -0.048 0.000 2.295 57 L HA 0.580 4.920 4.340 0.001 0.000 0.285 57 L C -0.349 176.585 176.870 0.107 0.000 1.035 57 L CA 0.337 55.277 54.840 0.167 0.000 0.806 57 L CB 1.956 44.252 42.059 0.394 0.000 1.214 57 L HN 0.727 nan 8.230 nan 0.000 0.426 58 S N 2.954 118.702 115.700 0.081 0.000 2.565 58 S HA 0.237 4.707 4.470 0.001 0.000 0.276 58 S C 0.955 175.599 174.600 0.073 0.000 1.326 58 S CA -0.600 57.636 58.200 0.059 0.000 1.045 58 S CB 1.110 64.334 63.200 0.039 0.000 0.918 58 S HN 0.562 nan 8.310 nan 0.000 0.505 59 V N 3.336 123.285 119.914 0.058 0.000 3.510 59 V HA 0.026 4.147 4.120 0.001 0.000 0.270 59 V C 0.175 176.274 176.094 0.007 0.000 1.201 59 V CA 0.595 62.919 62.300 0.040 0.000 1.166 59 V CB -0.850 31.002 31.823 0.047 0.000 0.825 59 V HN 0.748 nan 8.190 nan 0.000 0.484 60 D N 2.083 122.495 120.400 0.020 0.000 2.434 60 D HA 0.070 4.711 4.640 0.001 0.000 0.252 60 D C 0.870 177.176 176.300 0.010 0.000 1.185 60 D CA 0.452 54.461 54.000 0.016 0.000 0.886 60 D CB 0.005 40.821 40.800 0.027 0.000 1.148 60 D HN 0.206 nan 8.370 nan 0.000 0.483 61 N N 1.061 119.758 118.700 -0.004 0.000 2.782 61 N HA -0.189 4.551 4.740 0.001 0.000 0.251 61 N C -0.627 174.838 175.510 -0.075 0.000 1.101 61 N CA 0.432 53.475 53.050 -0.012 0.000 0.764 61 N CB -1.136 37.364 38.487 0.022 0.000 1.122 61 N HN 0.469 nan 8.380 nan 0.000 0.561 62 L N 0.132 121.284 121.223 -0.120 0.000 2.326 62 L HA 0.362 4.702 4.340 0.001 0.000 0.278 62 L C 0.701 177.347 176.870 -0.373 0.000 1.092 62 L CA -0.012 54.685 54.840 -0.237 0.000 0.810 62 L CB 1.049 43.004 42.059 -0.173 0.000 1.153 62 L HN -0.142 nan 8.230 nan 0.000 0.439 63 K N 2.371 122.343 120.400 -0.713 0.000 2.346 63 K HA 0.714 5.034 4.320 0.001 0.000 0.238 63 K C -1.332 174.850 176.600 -0.698 0.000 1.039 63 K CA -0.611 55.230 56.287 -0.743 0.000 0.861 63 K CB 2.102 33.974 32.500 -1.047 0.000 1.278 63 K HN 0.399 nan 8.250 nan 0.000 0.460 64 L N 1.121 122.162 121.223 -0.303 0.000 2.381 64 L HA 0.698 5.038 4.340 0.001 0.000 0.268 64 L C -1.395 175.590 176.870 0.192 0.000 0.997 64 L CA -0.620 54.181 54.840 -0.065 0.000 0.818 64 L CB 1.461 43.466 42.059 -0.089 0.000 1.310 64 L HN 0.726 nan 8.230 nan 0.000 0.416 65 R N 1.564 122.229 120.500 0.275 0.000 2.626 65 R HA 0.463 4.804 4.340 0.001 0.000 0.274 65 R C -1.782 174.637 176.300 0.198 0.000 1.031 65 R CA -0.873 55.382 56.100 0.257 0.000 0.898 65 R CB 1.411 31.882 30.300 0.286 0.000 1.222 65 R HN 0.353 nan 8.270 nan 0.000 0.455 66 D N 2.733 123.229 120.400 0.159 0.000 2.339 66 D HA 0.131 4.771 4.640 0.001 0.000 0.256 66 D C 0.438 176.803 176.300 0.109 0.000 1.214 66 D CA -0.051 54.040 54.000 0.151 0.000 0.877 66 D CB 1.501 42.374 40.800 0.121 0.000 1.111 66 D HN 0.227 nan 8.370 nan 0.000 0.478 67 V N 2.419 122.396 119.914 0.105 0.000 3.319 67 V HA -0.090 4.030 4.120 0.001 0.000 0.303 67 V C 0.941 177.091 176.094 0.093 0.000 1.094 67 V CA -0.462 61.885 62.300 0.079 0.000 1.106 67 V CB 0.421 32.282 31.823 0.063 0.000 1.099 67 V HN 0.510 nan 8.190 nan 0.000 0.476 68 E N 0.888 121.151 120.200 0.105 0.000 3.125 68 E HA -0.094 4.256 4.350 0.001 0.000 0.304 68 E C 0.586 177.323 176.600 0.229 0.000 1.207 68 E CA 0.423 56.905 56.400 0.137 0.000 1.303 68 E CB -1.085 28.691 29.700 0.127 0.000 1.075 68 E HN 0.545 nan 8.360 nan 0.000 0.473 69 K N 0.763 121.201 120.400 0.063 0.000 2.442 69 K HA -0.099 4.222 4.320 0.001 0.000 0.198 69 K C 2.090 178.452 176.600 -0.396 0.000 1.044 69 K CA 0.703 56.861 56.287 -0.216 0.000 0.948 69 K CB -0.196 32.175 32.500 -0.216 0.000 0.762 69 K HN 0.543 nan 8.250 nan 0.000 0.472 70 G N 2.746 111.494 108.800 -0.086 0.000 2.596 70 G HA2 -0.280 3.681 3.960 0.001 0.000 0.223 70 G HA3 -0.280 3.681 3.960 0.001 0.000 0.223 70 G C 0.551 175.414 174.900 -0.063 0.000 1.120 70 G CA 0.845 45.915 45.100 -0.049 0.000 0.752 70 G HN 0.430 nan 8.290 nan 0.000 0.596 71 F N -0.233 119.696 119.950 -0.036 0.000 2.571 71 F HA 0.476 5.003 4.527 -0.000 0.000 0.384 71 F C 0.817 176.592 175.800 -0.041 0.000 1.058 71 F CA -1.329 56.652 58.000 -0.033 0.000 1.200 71 F CB -0.091 38.890 39.000 -0.031 0.000 1.077 71 F HN -0.129 nan 8.300 nan 0.000 0.558 72 M N 4.684 124.267 119.600 -0.029 0.000 3.324 72 M HA -0.004 4.476 4.480 0.001 0.000 0.233 72 M C 0.263 176.522 176.300 -0.067 0.000 1.662 72 M CA 0.759 56.008 55.300 -0.084 0.000 1.709 72 M CB -0.800 31.788 32.600 -0.020 0.000 1.349 72 M HN 0.837 nan 8.290 nan 0.000 0.514 73 S N -0.298 115.270 115.700 -0.219 0.000 2.661 73 S HA 0.474 4.944 4.470 0.001 0.000 0.285 73 S C 0.789 175.269 174.600 -0.201 0.000 1.138 73 S CA -0.807 57.325 58.200 -0.112 0.000 0.855 73 S CB 1.878 65.133 63.200 0.090 0.000 1.136 73 S HN 0.471 nan 8.310 nan 0.000 0.484 74 S N 0.943 116.595 115.700 -0.081 0.000 2.395 74 S HA 0.106 4.576 4.470 0.001 0.000 0.225 74 S C 0.371 174.922 174.600 -0.082 0.000 1.027 74 S CA 0.657 58.825 58.200 -0.053 0.000 0.965 74 S CB -0.363 62.853 63.200 0.028 0.000 0.812 74 S HN 0.633 nan 8.310 nan 0.000 0.482 75 K N 1.873 122.245 120.400 -0.047 0.000 2.530 75 K HA -0.019 4.302 4.320 0.001 0.000 0.280 75 K C -0.706 175.801 176.600 -0.155 0.000 1.004 75 K CA 0.656 56.946 56.287 0.005 0.000 1.071 75 K CB 0.047 32.614 32.500 0.112 0.000 0.876 75 K HN 0.323 nan 8.250 nan 0.000 0.487 76 H N 2.391 121.479 119.070 0.030 0.000 2.511 76 H HA 0.374 4.931 4.556 0.000 0.000 0.328 76 H C -0.766 174.627 175.328 0.108 0.000 1.044 76 H CA -0.569 55.505 56.048 0.043 0.000 1.212 76 H CB 0.593 30.390 29.762 0.058 0.000 1.428 76 H HN 0.306 nan 8.280 nan 0.000 0.483 77 I N 4.530 125.199 120.570 0.165 0.000 2.530 77 I HA 0.363 4.533 4.170 0.001 0.000 0.297 77 I C -0.599 175.651 176.117 0.222 0.000 1.011 77 I CA -0.858 60.527 61.300 0.142 0.000 1.107 77 I CB 1.008 39.057 38.000 0.082 0.000 1.285 77 I HN 0.387 nan 8.210 nan 0.000 0.436 78 F N 2.640 122.593 119.950 0.006 0.000 2.664 78 F HA 1.033 5.561 4.527 0.001 0.000 0.329 78 F C -0.674 175.099 175.800 -0.046 0.000 1.090 78 F CA -1.495 56.501 58.000 -0.006 0.000 0.978 78 F CB 1.396 40.391 39.000 -0.007 0.000 1.378 78 F HN 0.584 nan 8.300 nan 0.000 0.495 79 A N 1.365 124.184 122.820 -0.002 0.000 2.547 79 A HA 0.720 5.040 4.320 0.001 0.000 0.297 79 A C -1.880 175.708 177.584 0.007 0.000 1.056 79 A CA -0.812 51.160 52.037 -0.109 0.000 0.688 79 A CB 1.256 20.249 19.000 -0.012 0.000 1.282 79 A HN 0.867 nan 8.150 nan 0.000 0.400 80 L N 1.802 122.968 121.223 -0.095 0.000 2.334 80 L HA 0.862 5.202 4.340 0.001 0.000 0.275 80 L C -0.462 176.464 176.870 0.092 0.000 1.036 80 L CA -0.603 54.170 54.840 -0.111 0.000 0.807 80 L CB 1.252 43.163 42.059 -0.247 0.000 1.231 80 L HN 0.823 nan 8.230 nan 0.000 0.438 81 F N -0.394 119.531 119.950 -0.042 0.000 2.662 81 F HA 0.502 5.029 4.527 -0.000 0.000 0.312 81 F C -0.875 174.936 175.800 0.020 0.000 1.113 81 F CA -1.127 56.875 58.000 0.004 0.000 0.951 81 F CB 1.413 40.419 39.000 0.010 0.000 1.344 81 F HN 0.269 nan 8.300 nan 0.000 0.462 82 N N 1.029 119.879 118.700 0.250 0.000 2.426 82 N HA 0.177 4.917 4.740 0.001 0.000 0.257 82 N C 0.647 176.306 175.510 0.249 0.000 1.002 82 N CA 0.252 53.388 53.050 0.143 0.000 0.942 82 N CB 1.887 40.454 38.487 0.133 0.000 1.112 82 N HN 0.909 nan 8.380 nan 0.000 0.499 83 T N 0.188 114.844 114.554 0.171 0.000 3.035 83 T HA 0.033 4.383 4.350 0.001 0.000 0.268 83 T C 0.662 175.446 174.700 0.140 0.000 1.109 83 T CA 0.885 63.117 62.100 0.220 0.000 1.119 83 T CB 0.169 69.129 68.868 0.154 0.000 0.900 83 T HN 0.437 nan 8.240 nan 0.000 0.503 84 E N 0.938 121.201 120.200 0.104 0.000 2.465 84 E HA 0.316 4.666 4.350 0.001 0.000 0.195 84 E C 0.022 176.668 176.600 0.075 0.000 1.028 84 E CA 0.042 56.489 56.400 0.078 0.000 0.899 84 E CB 0.454 30.190 29.700 0.061 0.000 1.032 84 E HN 0.680 nan 8.360 nan 0.000 0.468 85 Q N -0.521 119.335 119.800 0.094 0.000 2.472 85 Q HA 0.327 4.667 4.340 0.001 0.000 0.281 85 Q C 0.344 176.397 176.000 0.089 0.000 0.997 85 Q CA -0.530 55.322 55.803 0.082 0.000 0.828 85 Q CB 2.391 31.180 28.738 0.085 0.000 1.443 85 Q HN -0.127 nan 8.270 nan 0.000 0.390 86 R N 0.634 121.169 120.500 0.059 0.000 2.193 86 R HA 0.103 4.443 4.340 0.001 0.000 0.213 86 R C -0.589 175.741 176.300 0.051 0.000 1.055 86 R CA 0.898 57.023 56.100 0.041 0.000 0.995 86 R CB 0.457 30.765 30.300 0.014 0.000 0.893 86 R HN 0.489 nan 8.270 nan 0.000 0.459 87 N N 0.092 118.831 118.700 0.065 0.000 2.314 87 N HA 0.111 4.851 4.740 0.001 0.000 0.294 87 N C 0.474 176.066 175.510 0.137 0.000 1.029 87 N CA -0.262 52.835 53.050 0.078 0.000 0.845 87 N CB 2.476 40.981 38.487 0.029 0.000 1.321 87 N HN -0.228 nan 8.380 nan 0.000 0.481 88 V N 1.107 121.139 119.914 0.196 0.000 2.446 88 V HA -0.017 4.104 4.120 0.001 0.000 0.244 88 V C -0.099 176.205 176.094 0.350 0.000 1.039 88 V CA 1.290 63.741 62.300 0.252 0.000 1.045 88 V CB -0.715 31.267 31.823 0.265 0.000 0.681 88 V HN 0.786 nan 8.190 nan 0.000 0.459 89 Y N -1.833 118.552 120.300 0.143 0.000 2.521 89 Y HA 0.554 5.104 4.550 -0.001 0.000 0.328 89 Y C -0.196 175.815 175.900 0.184 0.000 1.151 89 Y CA -1.999 56.176 58.100 0.125 0.000 1.054 89 Y CB 0.708 39.184 38.460 0.027 0.000 1.338 89 Y HN -0.063 nan 8.280 nan 0.000 0.453 90 K N 1.207 121.553 120.400 -0.089 0.000 1.791 90 K HA -0.238 4.082 4.320 0.001 0.000 0.140 90 K C -0.141 176.352 176.600 -0.177 0.000 1.312 90 K CA 1.786 57.979 56.287 -0.157 0.000 0.382 90 K CB -1.527 30.826 32.500 -0.244 0.000 0.635 90 K HN 1.094 nan 8.250 nan 0.000 0.838 91 D N 0.572 120.738 120.400 -0.389 0.000 2.559 91 D HA 0.158 4.799 4.640 0.001 0.000 0.234 91 D C -0.251 175.717 176.300 -0.552 0.000 1.226 91 D CA -0.051 53.703 54.000 -0.409 0.000 0.830 91 D CB -0.537 40.029 40.800 -0.390 0.000 1.028 91 D HN 0.291 nan 8.370 nan 0.000 0.492 92 Y N 0.748 120.936 120.300 -0.187 0.000 2.320 92 Y HA 0.370 4.920 4.550 0.000 0.000 0.334 92 Y C 1.801 177.685 175.900 -0.028 0.000 1.055 92 Y CA -0.999 57.031 58.100 -0.118 0.000 1.143 92 Y CB 1.517 39.884 38.460 -0.155 0.000 1.193 92 Y HN -0.330 nan 8.280 nan 0.000 0.477 93 R N 1.337 121.897 120.500 0.100 0.000 2.066 93 R HA -0.068 4.272 4.340 0.001 0.000 0.232 93 R C 0.033 176.409 176.300 0.128 0.000 1.131 93 R CA 1.068 57.212 56.100 0.073 0.000 0.955 93 R CB -0.035 30.275 30.300 0.017 0.000 0.851 93 R HN 0.830 nan 8.270 nan 0.000 0.432 94 Q N -0.353 119.530 119.800 0.138 0.000 2.456 94 Q HA 0.440 4.780 4.340 0.001 0.000 0.283 94 Q C -1.176 174.892 176.000 0.114 0.000 1.084 94 Q CA -0.707 55.180 55.803 0.140 0.000 0.801 94 Q CB 1.753 30.545 28.738 0.090 0.000 1.434 94 Q HN 0.051 nan 8.270 nan 0.000 0.419 95 L N 1.972 123.218 121.223 0.038 0.000 2.264 95 L HA 0.396 4.737 4.340 0.001 0.000 0.287 95 L C -0.745 175.993 176.870 -0.220 0.000 1.039 95 L CA -0.368 54.421 54.840 -0.085 0.000 0.829 95 L CB 0.989 42.938 42.059 -0.183 0.000 1.211 95 L HN 0.742 nan 8.230 nan 0.000 0.427 96 E N 5.792 125.869 120.200 -0.206 0.000 2.259 96 E HA 0.344 4.694 4.350 0.001 0.000 0.281 96 E C -1.073 175.283 176.600 -0.407 0.000 1.037 96 E CA -0.277 55.962 56.400 -0.268 0.000 0.854 96 E CB 1.514 31.127 29.700 -0.145 0.000 1.051 96 E HN 0.528 nan 8.360 nan 0.000 0.409 97 L N 2.583 123.409 121.223 -0.662 0.000 2.349 97 L HA 0.545 4.886 4.340 0.001 0.000 0.278 97 L C -0.315 176.210 176.870 -0.575 0.000 0.996 97 L CA -0.771 53.592 54.840 -0.796 0.000 0.825 97 L CB 1.680 42.926 42.059 -1.355 0.000 1.243 97 L HN 0.515 nan 8.230 nan 0.000 0.412 98 A N 2.578 125.243 122.820 -0.258 0.000 2.312 98 A HA 0.814 5.134 4.320 0.001 0.000 0.328 98 A C -0.599 177.002 177.584 0.027 0.000 1.158 98 A CA -0.351 51.654 52.037 -0.054 0.000 0.821 98 A CB 1.218 20.225 19.000 0.012 0.000 1.170 98 A HN 0.776 nan 8.150 nan 0.000 0.490 99 C N -0.204 119.179 119.300 0.138 0.000 3.044 99 C HA 0.479 4.939 4.460 0.001 0.000 0.315 99 C C 1.531 176.627 174.990 0.178 0.000 1.320 99 C CA -0.416 58.703 59.018 0.169 0.000 1.582 99 C CB 1.585 29.461 27.740 0.227 0.000 2.039 99 C HN 1.046 nan 8.230 nan 0.000 0.466 100 E N -0.058 120.234 120.200 0.153 0.000 2.230 100 E HA -0.008 4.342 4.350 0.001 0.000 0.192 100 E C 0.588 177.277 176.600 0.148 0.000 0.987 100 E CA 1.039 57.523 56.400 0.141 0.000 0.841 100 E CB 0.301 30.062 29.700 0.101 0.000 0.783 100 E HN 0.884 nan 8.360 nan 0.000 0.481 101 T N -3.096 111.495 114.554 0.063 0.000 2.865 101 T HA 0.217 4.567 4.350 0.001 0.000 0.294 101 T C 0.431 174.914 174.700 -0.362 0.000 1.119 101 T CA -0.864 61.148 62.100 -0.146 0.000 1.007 101 T CB 1.913 70.734 68.868 -0.079 0.000 1.225 101 T HN -0.256 nan 8.240 nan 0.000 0.515 102 Q N 0.016 119.414 119.800 -0.671 0.000 2.172 102 Q HA -0.023 4.317 4.340 0.001 0.000 0.200 102 Q C 1.954 177.853 176.000 -0.169 0.000 0.964 102 Q CA 1.558 57.090 55.803 -0.452 0.000 0.855 102 Q CB -0.259 28.253 28.738 -0.375 0.000 0.918 102 Q HN 0.704 nan 8.270 nan 0.000 0.444 103 E N 0.451 120.569 120.200 -0.137 0.000 2.058 103 E HA -0.252 4.098 4.350 0.001 0.000 0.194 103 E C 1.803 178.388 176.600 -0.024 0.000 0.997 103 E CA 1.479 57.840 56.400 -0.064 0.000 0.801 103 E CB -0.182 29.489 29.700 -0.048 0.000 0.746 103 E HN 0.594 nan 8.360 nan 0.000 0.450 104 E N 0.581 120.787 120.200 0.009 0.000 2.077 104 E HA -0.146 4.204 4.350 0.001 0.000 0.193 104 E C 2.179 178.862 176.600 0.138 0.000 0.989 104 E CA 1.002 57.463 56.400 0.103 0.000 0.800 104 E CB 0.189 29.983 29.700 0.156 0.000 0.746 104 E HN -0.010 nan 8.360 nan 0.000 0.452 105 V N 1.656 121.611 119.914 0.068 0.000 2.358 105 V HA -0.240 3.881 4.120 0.001 0.000 0.246 105 V C 1.709 177.738 176.094 -0.109 0.000 1.047 105 V CA 2.078 64.371 62.300 -0.012 0.000 1.035 105 V CB -0.454 31.405 31.823 0.060 0.000 0.658 105 V HN 0.300 nan 8.190 nan 0.000 0.452 106 D N -0.449 119.916 120.400 -0.059 0.000 2.117 106 D HA -0.143 4.497 4.640 0.001 0.000 0.197 106 D C 2.383 178.647 176.300 -0.059 0.000 0.987 106 D CA 1.654 55.618 54.000 -0.059 0.000 0.829 106 D CB -0.383 40.391 40.800 -0.044 0.000 0.961 106 D HN 0.388 nan 8.370 nan 0.000 0.460 107 S N -0.624 115.046 115.700 -0.050 0.000 2.353 107 S HA -0.187 4.283 4.470 0.001 0.000 0.222 107 S C 1.863 176.372 174.600 -0.152 0.000 1.035 107 S CA 1.279 59.421 58.200 -0.097 0.000 1.025 107 S CB -0.432 62.717 63.200 -0.083 0.000 0.902 107 S HN 0.370 nan 8.310 nan 0.000 0.440 108 W N 1.629 122.810 121.300 -0.199 0.000 2.388 108 W HA 0.083 4.744 4.660 0.001 0.000 0.294 108 W C 2.515 178.915 176.519 -0.199 0.000 1.212 108 W CA 0.849 58.037 57.345 -0.261 0.000 1.271 108 W CB -0.133 29.187 29.460 -0.233 0.000 1.126 108 W HN 0.285 nan 8.180 nan 0.000 0.535 109 K N -0.131 120.263 120.400 -0.011 0.000 2.032 109 K HA -0.207 4.113 4.320 0.001 0.000 0.209 109 K C 2.195 178.840 176.600 0.075 0.000 1.048 109 K CA 1.617 57.928 56.287 0.041 0.000 0.927 109 K CB -0.692 31.771 32.500 -0.060 0.000 0.712 109 K HN 0.132 nan 8.250 nan 0.000 0.441 110 A N 1.083 123.894 122.820 -0.015 0.000 1.908 110 A HA -0.176 4.145 4.320 0.001 0.000 0.218 110 A C 2.242 179.781 177.584 -0.075 0.000 1.181 110 A CA 1.966 53.981 52.037 -0.035 0.000 0.627 110 A CB -0.533 18.425 19.000 -0.070 0.000 0.818 110 A HN 0.194 nan 8.150 nan 0.000 0.445 111 S N -0.935 114.653 115.700 -0.186 0.000 2.383 111 S HA -0.076 4.394 4.470 0.001 0.000 0.227 111 S C 1.547 176.011 174.600 -0.227 0.000 1.026 111 S CA 1.268 59.287 58.200 -0.302 0.000 0.981 111 S CB -0.494 62.350 63.200 -0.593 0.000 0.818 111 S HN 0.530 nan 8.310 nan 0.000 0.472 112 F N 1.355 121.282 119.950 -0.038 0.000 2.216 112 F HA -0.019 4.508 4.527 -0.000 0.000 0.300 112 F C 1.873 177.598 175.800 -0.125 0.000 1.085 112 F CA 0.415 58.391 58.000 -0.040 0.000 1.326 112 F CB -0.696 38.298 39.000 -0.011 0.000 1.027 112 F HN 0.120 nan 8.300 nan 0.000 0.497 113 L N -0.230 121.041 121.223 0.080 0.000 2.079 113 L HA -0.200 4.140 4.340 0.001 0.000 0.210 113 L C 2.352 179.226 176.870 0.007 0.000 1.081 113 L CA 1.618 56.483 54.840 0.042 0.000 0.752 113 L CB -0.589 41.569 42.059 0.165 0.000 0.896 113 L HN -0.009 nan 8.230 nan 0.000 0.433 114 R N -1.159 119.338 120.500 -0.005 0.000 2.237 114 R HA -0.018 4.322 4.340 0.001 0.000 0.219 114 R C 1.819 178.101 176.300 -0.031 0.000 1.080 114 R CA 0.852 56.943 56.100 -0.015 0.000 0.995 114 R CB -0.239 30.030 30.300 -0.051 0.000 0.875 114 R HN 0.358 nan 8.270 nan 0.000 0.462 115 A N -0.506 122.287 122.820 -0.046 0.000 2.308 115 A HA 0.292 4.613 4.320 0.001 0.000 0.217 115 A C 1.270 178.795 177.584 -0.098 0.000 1.216 115 A CA 0.590 52.610 52.037 -0.028 0.000 0.864 115 A CB 0.407 19.438 19.000 0.052 0.000 0.902 115 A HN 0.356 nan 8.150 nan 0.000 0.499 116 G N -1.402 107.238 108.800 -0.266 0.000 2.141 116 G HA2 -0.171 3.789 3.960 0.001 0.000 0.231 116 G HA3 -0.171 3.789 3.960 0.001 0.000 0.231 116 G C 0.037 174.428 174.900 -0.848 0.000 0.984 116 G CA 0.074 44.852 45.100 -0.537 0.000 0.660 116 G HN 0.792 nan 8.290 nan 0.000 0.525 117 V N 1.754 121.305 119.914 -0.605 0.000 2.334 117 V HA 0.578 4.698 4.120 0.001 0.000 0.267 117 V C -0.007 175.807 176.094 -0.468 0.000 1.040 117 V CA -0.811 61.235 62.300 -0.423 0.000 0.866 117 V CB 0.187 31.916 31.823 -0.158 0.000 1.019 117 V HN 0.246 nan 8.190 nan 0.000 0.468 118 Y N 5.246 125.526 120.300 -0.034 0.000 2.419 118 Y HA 0.530 5.081 4.550 0.001 0.000 0.328 118 Y C -1.952 173.925 175.900 -0.039 0.000 1.162 118 Y CA -3.247 54.842 58.100 -0.019 0.000 1.174 118 Y CB 0.649 39.103 38.460 -0.011 0.000 1.228 118 Y HN 0.429 nan 8.280 nan 0.000 0.473 119 P HA -0.079 nan 4.420 nan 0.000 0.269 119 P C -0.545 176.830 177.300 0.126 0.000 1.211 119 P CA -0.139 63.030 63.100 0.116 0.000 0.781 119 P CB 0.438 32.203 31.700 0.109 0.000 0.877 120 E N 2.096 122.397 120.200 0.169 0.000 2.966 120 E HA -0.212 4.138 4.350 0.001 0.000 0.254 120 E C 1.193 177.902 176.600 0.181 0.000 0.923 120 E CA 0.167 56.724 56.400 0.262 0.000 0.960 120 E CB 0.245 30.117 29.700 0.286 0.000 0.901 120 E HN 0.179 nan 8.360 nan 0.000 0.525 121 R N 2.623 123.235 120.500 0.187 0.000 2.132 121 R HA -0.117 4.224 4.340 0.001 0.000 0.233 121 R C 0.532 176.891 176.300 0.099 0.000 1.125 121 R CA 1.461 57.637 56.100 0.127 0.000 0.914 121 R CB -0.675 29.703 30.300 0.129 0.000 0.845 121 R HN 0.444 nan 8.270 nan 0.000 0.431 122 V N 0.000 119.977 119.914 0.105 0.000 2.409 122 V HA 0.000 4.120 4.120 0.001 0.000 0.244 122 V CA 0.000 62.342 62.300 0.069 0.000 1.235 122 V CB 0.000 31.856 31.823 0.055 0.000 1.184 122 V HN 0.000 nan 8.190 nan 0.000 0.556