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 3f1z_1_A DATA FIRST_RESID 36 DATA SEQUENCE QPGDDAVASX QTYSVAQFLQ PFTLNPAKAS SDYLGKWVKV RGVIVDIRRK DATA SEQUENCE SGIAGSYYFI VTXRDEQNKT DKRLTFNFGS HNSADVEALS NGSVATIVGQ DATA SEQUENCE VHQVQDSTIP TLQNPKVVK 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 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 175.717 176.000 -0.471 0.000 1.003 36 Q CA 0.000 55.575 55.803 -0.381 0.000 1.022 36 Q CB 0.000 28.633 28.738 -0.176 0.000 1.108 37 P HA 0.375 nan 4.420 nan 0.000 0.280 37 P C -0.293 176.842 177.300 -0.275 0.000 1.244 37 P CA -0.197 62.623 63.100 -0.465 0.000 0.784 37 P CB 1.052 32.429 31.700 -0.539 0.000 0.913 38 G N 1.153 109.851 108.800 -0.169 0.000 2.588 38 G HA2 0.063 4.023 3.960 -0.000 0.000 0.281 38 G HA3 0.063 4.023 3.960 -0.000 0.000 0.281 38 G C 0.398 175.247 174.900 -0.085 0.000 1.236 38 G CA -0.438 44.598 45.100 -0.106 0.000 0.969 38 G HN 0.368 nan 8.290 nan 0.000 0.504 39 D N 0.059 120.424 120.400 -0.057 0.000 2.126 39 D HA -0.158 4.482 4.640 -0.000 0.000 0.190 39 D C 2.217 178.495 176.300 -0.036 0.000 1.001 39 D CA 1.892 55.867 54.000 -0.042 0.000 0.841 39 D CB -0.055 40.728 40.800 -0.029 0.000 0.949 39 D HN 0.556 nan 8.370 nan 0.000 0.446 40 D N 0.389 120.769 120.400 -0.033 0.000 2.178 40 D HA -0.047 4.592 4.640 -0.000 0.000 0.202 40 D C 1.851 178.134 176.300 -0.028 0.000 0.974 40 D CA 1.287 55.272 54.000 -0.026 0.000 0.841 40 D CB -0.669 40.119 40.800 -0.020 0.000 0.953 40 D HN 0.214 nan 8.370 nan 0.000 0.478 41 A N 0.779 123.573 122.820 -0.043 0.000 1.930 41 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 41 A C 2.504 180.063 177.584 -0.040 0.000 1.175 41 A CA 1.302 53.310 52.037 -0.047 0.000 0.627 41 A CB -0.773 18.178 19.000 -0.081 0.000 0.815 41 A HN 0.183 nan 8.150 nan 0.000 0.443 42 V N -0.247 119.637 119.914 -0.050 0.000 2.307 42 V HA -0.211 3.908 4.120 -0.000 0.000 0.245 42 V C 3.045 179.135 176.094 -0.007 0.000 1.045 42 V CA 1.861 64.142 62.300 -0.032 0.000 1.024 42 V CB -1.060 30.738 31.823 -0.042 0.000 0.651 42 V HN 0.597 nan 8.190 nan 0.000 0.449 43 A N -0.055 122.759 122.820 -0.010 0.000 2.019 43 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 43 A C 1.824 179.410 177.584 0.003 0.000 1.164 43 A CA 1.491 53.526 52.037 -0.003 0.000 0.644 43 A CB -0.446 18.550 19.000 -0.006 0.000 0.805 43 A HN 0.608 nan 8.150 nan 0.000 0.449 47 T N 2.769 117.326 114.554 0.005 0.000 2.743 47 T HA 0.429 4.778 4.350 -0.000 0.000 0.293 47 T C -0.983 173.760 174.700 0.070 0.000 0.945 47 T CA -0.051 62.092 62.100 0.073 0.000 1.030 47 T CB -0.048 68.856 68.868 0.061 0.000 0.912 47 T HN 0.300 nan 8.240 nan 0.000 0.483 48 Y N 1.789 122.132 120.300 0.071 0.000 2.335 48 Y HA 0.414 4.964 4.550 -0.000 0.000 0.323 48 Y C 1.325 177.281 175.900 0.093 0.000 1.224 48 Y CA -0.698 57.462 58.100 0.101 0.000 1.241 48 Y CB 0.957 39.497 38.460 0.133 0.000 1.235 48 Y HN 0.671 nan 8.280 nan 0.000 0.492 49 S N -0.190 115.675 115.700 0.275 0.000 2.669 49 S HA 0.222 4.692 4.470 -0.000 0.000 0.270 49 S C 0.843 175.584 174.600 0.234 0.000 1.225 49 S CA -0.737 57.583 58.200 0.200 0.000 0.991 49 S CB 1.057 64.344 63.200 0.144 0.000 0.987 49 S HN 0.464 nan 8.310 nan 0.000 0.552 50 V N 1.516 121.535 119.914 0.174 0.000 2.343 50 V HA -0.154 3.965 4.120 -0.000 0.000 0.247 50 V C 2.971 179.160 176.094 0.159 0.000 1.051 50 V CA 2.299 64.700 62.300 0.169 0.000 1.036 50 V CB -1.807 30.090 31.823 0.124 0.000 0.654 50 V HN 1.006 nan 8.190 nan 0.000 0.451 51 A N -0.754 122.145 122.820 0.132 0.000 1.908 51 A HA -0.306 4.014 4.320 -0.000 0.000 0.218 51 A C 2.188 179.860 177.584 0.147 0.000 1.181 51 A CA 2.087 54.190 52.037 0.110 0.000 0.627 51 A CB -0.475 18.579 19.000 0.089 0.000 0.818 51 A HN 0.626 nan 8.150 nan 0.000 0.445 52 Q N -1.929 118.000 119.800 0.215 0.000 2.050 52 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 52 Q C 1.948 178.181 176.000 0.389 0.000 0.980 52 Q CA 1.653 57.634 55.803 0.297 0.000 0.840 52 Q CB -0.310 28.631 28.738 0.338 0.000 0.898 52 Q HN 0.738 nan 8.270 nan 0.000 0.424 53 F N 0.898 120.973 119.950 0.208 0.000 2.186 53 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 53 F C 1.531 177.347 175.800 0.027 0.000 1.090 53 F CA 1.119 59.074 58.000 -0.075 0.000 1.307 53 F CB 0.014 38.771 39.000 -0.405 0.000 1.019 53 F HN -0.037 nan 8.300 nan 0.000 0.489 54 L N -0.088 121.060 121.223 -0.125 0.000 2.492 54 L HA -0.082 4.258 4.340 -0.000 0.000 0.223 54 L C 2.282 179.157 176.870 0.008 0.000 1.132 54 L CA 0.553 55.303 54.840 -0.149 0.000 0.850 54 L CB -0.686 41.315 42.059 -0.095 0.000 0.966 54 L HN 0.203 nan 8.230 nan 0.000 0.454 55 Q N 1.496 121.319 119.800 0.039 0.000 2.077 55 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 55 Q C -0.647 175.364 176.000 0.017 0.000 0.989 55 Q CA 2.225 58.056 55.803 0.047 0.000 0.853 55 Q CB -1.204 27.579 28.738 0.075 0.000 0.907 55 Q HN 0.237 nan 8.270 nan 0.000 0.418 56 P HA -0.091 nan 4.420 nan 0.000 0.217 56 P C 0.654 177.825 177.300 -0.215 0.000 1.150 56 P CA 1.171 64.202 63.100 -0.116 0.000 0.832 56 P CB -0.199 31.413 31.700 -0.146 0.000 0.787 57 F N -0.622 119.235 119.950 -0.155 0.000 2.293 57 F HA -0.105 4.422 4.527 -0.000 0.000 0.300 57 F C 2.247 177.987 175.800 -0.100 0.000 1.086 57 F CA 1.335 59.244 58.000 -0.153 0.000 1.375 57 F CB -1.654 37.196 39.000 -0.250 0.000 1.045 57 F HN -0.110 nan 8.300 nan 0.000 0.516 58 T N 0.165 114.759 114.554 0.067 0.000 2.821 58 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 58 T C 1.937 176.642 174.700 0.008 0.000 1.046 58 T CA 0.900 63.019 62.100 0.032 0.000 1.139 58 T CB -0.273 68.610 68.868 0.024 0.000 0.871 58 T HN -0.002 nan 8.240 nan 0.000 0.454 59 L N 0.878 122.093 121.223 -0.013 0.000 2.072 59 L HA 0.261 4.600 4.340 -0.000 0.000 0.205 59 L C 0.854 177.704 176.870 -0.033 0.000 1.079 59 L CA 1.262 56.088 54.840 -0.024 0.000 0.752 59 L CB -0.331 41.708 42.059 -0.033 0.000 0.906 59 L HN 0.243 nan 8.230 nan 0.000 0.436 60 N N -1.805 116.861 118.700 -0.057 0.000 3.261 60 N HA 0.084 4.823 4.740 -0.000 0.000 0.227 60 N C -2.442 173.009 175.510 -0.099 0.000 1.338 60 N CA -0.723 52.291 53.050 -0.060 0.000 0.833 60 N CB 1.253 39.703 38.487 -0.062 0.000 1.606 60 N HN -0.217 nan 8.380 nan 0.000 0.649 61 P HA 0.009 nan 4.420 nan 0.000 0.219 61 P C 1.135 178.428 177.300 -0.011 0.000 1.150 61 P CA 0.976 64.091 63.100 0.024 0.000 0.814 61 P CB 0.359 32.142 31.700 0.139 0.000 0.787 62 A N 0.539 123.349 122.820 -0.016 0.000 1.858 62 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 62 A C 2.343 179.896 177.584 -0.051 0.000 1.190 62 A CA 2.399 54.427 52.037 -0.016 0.000 0.617 62 A CB -1.265 17.726 19.000 -0.014 0.000 0.827 62 A HN 0.062 nan 8.150 nan 0.000 0.443 63 K N 0.306 120.658 120.400 -0.081 0.000 2.032 63 K HA -0.062 4.258 4.320 -0.000 0.000 0.209 63 K C 1.982 178.485 176.600 -0.162 0.000 1.048 63 K CA 2.041 58.266 56.287 -0.103 0.000 0.927 63 K CB -0.748 31.691 32.500 -0.101 0.000 0.712 63 K HN 0.335 nan 8.250 nan 0.000 0.441 64 A N -0.205 122.434 122.820 -0.301 0.000 1.902 64 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 64 A C 2.356 179.745 177.584 -0.325 0.000 1.181 64 A CA 2.205 53.917 52.037 -0.542 0.000 0.623 64 A CB -1.153 16.993 19.000 -1.423 0.000 0.818 64 A HN 0.476 nan 8.150 nan 0.000 0.443 65 S N -0.717 114.893 115.700 -0.150 0.000 2.382 65 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 65 S C 2.312 176.964 174.600 0.087 0.000 1.027 65 S CA 1.972 60.257 58.200 0.141 0.000 0.991 65 S CB -0.419 62.879 63.200 0.163 0.000 0.823 65 S HN 0.618 nan 8.310 nan 0.000 0.469 66 S N 0.574 116.280 115.700 0.010 0.000 2.387 66 S HA -0.093 4.377 4.470 -0.000 0.000 0.226 66 S C 1.493 176.085 174.600 -0.014 0.000 1.026 66 S CA 1.484 59.684 58.200 -0.001 0.000 0.972 66 S CB -0.694 62.492 63.200 -0.023 0.000 0.814 66 S HN 0.594 nan 8.310 nan 0.000 0.477 67 D N -0.146 120.220 120.400 -0.057 0.000 2.144 67 D HA -0.028 4.612 4.640 -0.000 0.000 0.200 67 D C 1.097 177.309 176.300 -0.147 0.000 0.978 67 D CA 1.105 55.027 54.000 -0.130 0.000 0.833 67 D CB -0.282 40.385 40.800 -0.221 0.000 0.961 67 D HN 0.532 nan 8.370 nan 0.000 0.470 68 Y N 0.108 120.414 120.300 0.010 0.000 2.482 68 Y HA 0.147 4.697 4.550 -0.000 0.000 0.270 68 Y C 0.609 176.547 175.900 0.063 0.000 1.152 68 Y CA -0.630 57.519 58.100 0.082 0.000 1.292 68 Y CB 0.084 38.662 38.460 0.196 0.000 1.070 68 Y HN -0.111 nan 8.280 nan 0.000 0.528 69 L N 0.801 122.116 121.223 0.152 0.000 2.628 69 L HA 0.161 4.501 4.340 -0.000 0.000 0.274 69 L C 1.272 178.168 176.870 0.043 0.000 1.209 69 L CA 1.233 56.125 54.840 0.086 0.000 0.930 69 L CB -0.183 41.899 42.059 0.038 0.000 1.183 69 L HN 0.507 nan 8.230 nan 0.000 0.492 70 G N 2.881 111.687 108.800 0.009 0.000 2.205 70 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.261 70 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.261 70 G C 0.551 175.399 174.900 -0.087 0.000 0.980 70 G CA 0.437 45.508 45.100 -0.048 0.000 0.632 70 G HN 0.609 nan 8.290 nan 0.000 0.533 71 K N -0.781 119.615 120.400 -0.007 0.000 2.087 71 K HA 0.517 4.837 4.320 -0.000 0.000 0.255 71 K C -0.560 176.009 176.600 -0.052 0.000 0.988 71 K CA -0.619 55.714 56.287 0.077 0.000 0.915 71 K CB 0.946 33.583 32.500 0.228 0.000 1.043 71 K HN 0.164 nan 8.250 nan 0.000 0.457 72 W N 1.353 122.726 121.300 0.122 0.000 2.520 72 W HA 0.384 5.044 4.660 -0.000 0.000 0.323 72 W C -0.370 176.189 176.519 0.067 0.000 1.062 72 W CA -0.630 56.754 57.345 0.065 0.000 1.215 72 W CB 1.440 30.933 29.460 0.055 0.000 1.340 72 W HN 0.231 nan 8.180 nan 0.000 0.516 73 V N 0.290 120.301 119.914 0.161 0.000 2.823 73 V HA 0.634 4.753 4.120 -0.000 0.000 0.312 73 V C -0.943 175.181 176.094 0.050 0.000 1.072 73 V CA -1.781 60.538 62.300 0.032 0.000 0.937 73 V CB 1.877 33.404 31.823 -0.494 0.000 1.013 73 V HN 0.535 nan 8.190 nan 0.000 0.430 74 K N 2.622 123.113 120.400 0.151 0.000 2.389 74 K HA 0.741 5.061 4.320 -0.000 0.000 0.261 74 K C -1.567 175.129 176.600 0.159 0.000 1.014 74 K CA -0.481 55.891 56.287 0.141 0.000 0.920 74 K CB 1.626 34.211 32.500 0.142 0.000 1.149 74 K HN 0.757 nan 8.250 nan 0.000 0.444 75 V N 4.466 124.440 119.914 0.100 0.000 2.495 75 V HA 0.475 4.595 4.120 -0.000 0.000 0.298 75 V C -0.285 175.885 176.094 0.127 0.000 1.031 75 V CA -0.963 61.408 62.300 0.118 0.000 0.871 75 V CB 1.564 33.411 31.823 0.040 0.000 0.988 75 V HN 0.727 nan 8.190 nan 0.000 0.432 76 R N 2.282 122.857 120.500 0.125 0.000 2.532 76 R HA 0.809 5.149 4.340 -0.000 0.000 0.295 76 R C -0.057 176.298 176.300 0.093 0.000 0.968 76 R CA 0.147 56.300 56.100 0.087 0.000 0.916 76 R CB 1.890 32.235 30.300 0.076 0.000 1.124 76 R HN 1.012 nan 8.270 nan 0.000 0.463 77 G N 1.060 109.901 108.800 0.068 0.000 2.430 77 G HA2 0.286 4.245 3.960 -0.000 0.000 0.300 77 G HA3 0.286 4.245 3.960 -0.000 0.000 0.300 77 G C -1.879 173.048 174.900 0.045 0.000 1.330 77 G CA -0.635 44.508 45.100 0.071 0.000 0.813 77 G HN 0.439 nan 8.290 nan 0.000 0.487 78 V N 1.494 121.435 119.914 0.046 0.000 2.398 78 V HA 0.394 4.513 4.120 -0.000 0.000 0.286 78 V C 0.092 176.206 176.094 0.034 0.000 1.026 78 V CA -0.880 61.437 62.300 0.029 0.000 0.868 78 V CB 1.405 33.243 31.823 0.026 0.000 0.982 78 V HN 0.545 nan 8.190 nan 0.000 0.443 79 I N 6.038 126.617 120.570 0.015 0.000 2.533 79 I HA 0.081 4.250 4.170 -0.000 0.000 0.284 79 I C 1.035 177.163 176.117 0.019 0.000 1.109 79 I CA 0.565 61.874 61.300 0.016 0.000 1.412 79 I CB 1.298 39.287 38.000 -0.018 0.000 1.396 79 I HN 0.604 nan 8.210 nan 0.000 0.543 80 V N 1.520 121.455 119.914 0.034 0.000 3.556 80 V HA 0.427 4.546 4.120 -0.000 0.000 0.287 80 V C 0.092 176.202 176.094 0.028 0.000 1.422 80 V CA 0.043 62.360 62.300 0.028 0.000 1.038 80 V CB 0.412 32.255 31.823 0.033 0.000 0.850 80 V HN 0.735 nan 8.190 nan 0.000 0.437 81 D N -0.679 119.744 120.400 0.037 0.000 2.836 81 D HA 0.628 5.267 4.640 -0.000 0.000 0.215 81 D C -1.460 174.867 176.300 0.044 0.000 1.255 81 D CA -0.226 53.796 54.000 0.036 0.000 0.822 81 D CB 2.230 43.056 40.800 0.044 0.000 1.656 81 D HN 0.215 nan 8.370 nan 0.000 0.511 82 I N 2.573 123.160 120.570 0.030 0.000 2.569 82 I HA 0.566 4.736 4.170 -0.000 0.000 0.290 82 I C -0.665 175.484 176.117 0.054 0.000 1.088 82 I CA -0.730 60.588 61.300 0.031 0.000 1.047 82 I CB 2.172 40.154 38.000 -0.029 0.000 1.237 82 I HN 0.237 nan 8.210 nan 0.000 0.421 83 R N 4.590 125.153 120.500 0.105 0.000 2.536 83 R HA 0.436 4.776 4.340 -0.000 0.000 0.269 83 R C -1.296 175.063 176.300 0.097 0.000 1.113 83 R CA -0.812 55.333 56.100 0.076 0.000 0.948 83 R CB 2.227 32.548 30.300 0.035 0.000 1.237 83 R HN 0.673 nan 8.270 nan 0.000 0.441 84 R N 3.323 123.839 120.500 0.026 0.000 2.349 84 R HA 0.367 4.707 4.340 -0.000 0.000 0.299 84 R C -0.935 175.176 176.300 -0.314 0.000 1.027 84 R CA -0.257 55.719 56.100 -0.206 0.000 0.958 84 R CB 0.948 31.131 30.300 -0.195 0.000 1.047 84 R HN 0.470 nan 8.270 nan 0.000 0.468 85 K N 1.924 121.997 120.400 -0.545 0.000 2.426 85 K HA 0.253 4.572 4.320 -0.000 0.000 0.251 85 K C -0.964 175.398 176.600 -0.397 0.000 0.941 85 K CA -0.847 55.114 56.287 -0.542 0.000 0.808 85 K CB 2.385 34.372 32.500 -0.856 0.000 1.265 85 K HN 0.544 nan 8.250 nan 0.000 0.432 86 S N 0.906 116.515 115.700 -0.152 0.000 2.516 86 S HA 0.202 4.672 4.470 -0.000 0.000 0.282 86 S C 0.269 174.956 174.600 0.146 0.000 1.286 86 S CA -0.429 57.773 58.200 0.004 0.000 1.066 86 S CB 0.773 63.980 63.200 0.012 0.000 0.884 86 S HN 0.695 nan 8.310 nan 0.000 0.491 87 G N 2.071 110.997 108.800 0.211 0.000 2.521 87 G HA2 0.645 4.605 3.960 -0.000 0.000 0.323 87 G HA3 0.645 4.605 3.960 -0.000 0.000 0.323 87 G C -0.375 174.603 174.900 0.131 0.000 1.211 87 G CA -0.928 44.328 45.100 0.259 0.000 0.979 87 G HN 0.670 nan 8.290 nan 0.000 0.490 88 I N 0.451 121.073 120.570 0.087 0.000 2.532 88 I HA 0.406 4.575 4.170 -0.000 0.000 0.292 88 I C 1.046 177.185 176.117 0.037 0.000 1.014 88 I CA 0.126 61.455 61.300 0.048 0.000 1.340 88 I CB 1.530 39.544 38.000 0.023 0.000 1.422 88 I HN 0.819 nan 8.210 nan 0.000 0.528 89 A N 4.719 127.558 122.820 0.032 0.000 2.475 89 A HA -0.023 4.297 4.320 -0.000 0.000 0.295 89 A C 1.344 178.947 177.584 0.032 0.000 1.457 89 A CA 0.689 52.741 52.037 0.025 0.000 0.734 89 A CB -1.947 17.061 19.000 0.014 0.000 1.118 89 A HN 1.890 nan 8.150 nan 0.000 0.400 90 G N -1.306 107.520 108.800 0.044 0.000 2.220 90 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.269 90 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.269 90 G C 0.957 175.905 174.900 0.080 0.000 0.977 90 G CA 1.591 46.725 45.100 0.057 0.000 0.634 90 G HN 2.634 nan 8.290 nan 0.000 0.539 91 S N -0.192 115.548 115.700 0.066 0.000 2.669 91 S HA 0.803 5.273 4.470 -0.000 0.000 0.270 91 S C -0.204 174.478 174.600 0.136 0.000 1.225 91 S CA 0.112 58.337 58.200 0.043 0.000 0.991 91 S CB 1.595 64.802 63.200 0.012 0.000 0.987 91 S HN 1.677 nan 8.310 nan 0.000 0.552 92 Y N -1.837 118.494 120.300 0.051 0.000 2.615 92 Y HA 0.826 5.375 4.550 -0.000 0.000 0.341 92 Y C -0.891 175.023 175.900 0.023 0.000 1.089 92 Y CA -1.745 56.339 58.100 -0.026 0.000 1.049 92 Y CB 0.660 39.011 38.460 -0.181 0.000 1.296 92 Y HN 0.952 nan 8.280 nan 0.000 0.470 93 Y N -1.055 119.163 120.300 -0.136 0.000 2.764 93 Y HA 0.837 5.387 4.550 -0.000 0.000 0.331 93 Y C -2.489 173.225 175.900 -0.310 0.000 1.280 93 Y CA -2.752 55.239 58.100 -0.182 0.000 1.065 93 Y CB 1.237 39.687 38.460 -0.017 0.000 1.319 93 Y HN 0.542 nan 8.280 nan 0.000 0.453 94 F N 1.799 121.882 119.950 0.222 0.000 2.565 94 F HA 0.655 5.181 4.527 -0.000 0.000 0.313 94 F C -0.822 175.136 175.800 0.265 0.000 1.091 94 F CA -1.004 57.057 58.000 0.103 0.000 0.915 94 F CB 2.052 41.113 39.000 0.102 0.000 1.208 94 F HN 0.243 nan 8.300 nan 0.000 0.453 95 I N 3.596 124.369 120.570 0.338 0.000 2.378 95 I HA 0.428 4.598 4.170 -0.000 0.000 0.291 95 I C -0.606 175.683 176.117 0.287 0.000 0.992 95 I CA -0.785 60.715 61.300 0.334 0.000 1.154 95 I CB 1.555 39.693 38.000 0.231 0.000 1.315 95 I HN 0.228 nan 8.210 nan 0.000 0.448 96 V N 6.428 126.555 119.914 0.355 0.000 2.448 96 V HA 0.493 4.613 4.120 -0.000 0.000 0.295 96 V C 0.317 176.599 176.094 0.314 0.000 1.025 96 V CA -0.284 62.181 62.300 0.275 0.000 0.859 96 V CB 2.047 34.038 31.823 0.280 0.000 0.988 96 V HN 0.857 nan 8.190 nan 0.000 0.431 100 D N 0.756 121.194 120.400 0.064 0.000 2.488 100 D HA -0.061 4.578 4.640 -0.000 0.000 0.238 100 D C 0.816 177.149 176.300 0.055 0.000 1.138 100 D CA 0.319 54.359 54.000 0.067 0.000 0.873 100 D CB 1.093 41.930 40.800 0.063 0.000 1.183 100 D HN 0.584 nan 8.370 nan 0.000 0.458 101 E N 2.154 122.389 120.200 0.057 0.000 2.160 101 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 101 E C 0.547 177.169 176.600 0.037 0.000 0.991 101 E CA 1.094 57.520 56.400 0.044 0.000 0.810 101 E CB 0.223 29.950 29.700 0.045 0.000 0.742 101 E HN 0.646 nan 8.360 nan 0.000 0.466 102 Q N -0.174 119.650 119.800 0.040 0.000 2.175 102 Q HA 0.143 4.483 4.340 -0.000 0.000 0.225 102 Q C -0.483 175.537 176.000 0.032 0.000 0.837 102 Q CA -0.295 55.528 55.803 0.033 0.000 1.032 102 Q CB 0.701 29.459 28.738 0.034 0.000 1.137 102 Q HN 0.165 nan 8.270 nan 0.000 0.483 103 N N 1.042 119.763 118.700 0.034 0.000 2.721 103 N HA -0.199 4.540 4.740 -0.000 0.000 0.249 103 N C 0.411 175.940 175.510 0.032 0.000 1.072 103 N CA 0.838 53.907 53.050 0.032 0.000 0.710 103 N CB -0.529 37.973 38.487 0.025 0.000 0.993 103 N HN 0.209 nan 8.380 nan 0.000 0.547 104 K N -0.239 120.185 120.400 0.039 0.000 2.432 104 K HA 0.108 4.428 4.320 -0.000 0.000 0.196 104 K C 0.701 177.324 176.600 0.039 0.000 1.038 104 K CA 0.687 56.997 56.287 0.039 0.000 0.986 104 K CB 0.350 32.879 32.500 0.047 0.000 0.782 104 K HN 0.382 nan 8.250 nan 0.000 0.485 105 T N -0.946 113.630 114.554 0.038 0.000 2.894 105 T HA 0.173 4.523 4.350 -0.000 0.000 0.309 105 T C -0.898 173.818 174.700 0.028 0.000 1.208 105 T CA -0.745 61.375 62.100 0.032 0.000 1.016 105 T CB 1.172 70.060 68.868 0.033 0.000 1.192 105 T HN 0.122 nan 8.240 nan 0.000 0.491 106 D N 1.386 121.798 120.400 0.021 0.000 2.339 106 D HA 0.176 4.816 4.640 -0.000 0.000 0.217 106 D C 0.292 176.602 176.300 0.015 0.000 1.050 106 D CA 0.070 54.081 54.000 0.019 0.000 0.856 106 D CB 0.070 40.879 40.800 0.015 0.000 0.922 106 D HN 0.364 nan 8.370 nan 0.000 0.518 107 K N 0.512 120.919 120.400 0.012 0.000 2.270 107 K HA 0.410 4.729 4.320 -0.000 0.000 0.276 107 K C -0.048 176.555 176.600 0.006 0.000 1.023 107 K CA -0.469 55.819 56.287 0.001 0.000 0.955 107 K CB 1.020 33.513 32.500 -0.012 0.000 0.975 107 K HN -0.116 nan 8.250 nan 0.000 0.471 108 R N 1.210 121.709 120.500 -0.001 0.000 2.598 108 R HA 0.427 4.767 4.340 -0.000 0.000 0.279 108 R C -0.974 175.316 176.300 -0.017 0.000 0.984 108 R CA -0.787 55.320 56.100 0.012 0.000 0.999 108 R CB 0.732 31.047 30.300 0.025 0.000 1.114 108 R HN 0.349 nan 8.270 nan 0.000 0.493 109 L N 0.807 122.031 121.223 0.003 0.000 2.329 109 L HA 0.615 4.955 4.340 -0.000 0.000 0.279 109 L C -0.700 176.137 176.870 -0.055 0.000 1.014 109 L CA 0.091 54.884 54.840 -0.080 0.000 0.814 109 L CB 1.932 43.949 42.059 -0.070 0.000 1.257 109 L HN 0.852 nan 8.230 nan 0.000 0.424 110 T N 0.740 115.193 114.554 -0.169 0.000 2.912 110 T HA 0.744 5.094 4.350 -0.000 0.000 0.288 110 T C -0.603 173.946 174.700 -0.253 0.000 1.030 110 T CA -0.482 61.597 62.100 -0.034 0.000 1.020 110 T CB 1.163 70.037 68.868 0.009 0.000 1.056 110 T HN 0.261 nan 8.240 nan 0.000 0.480 111 F N 1.159 121.121 119.950 0.019 0.000 2.551 111 F HA 0.554 5.081 4.527 -0.000 0.000 0.316 111 F C 0.183 176.003 175.800 0.032 0.000 1.089 111 F CA -1.137 56.831 58.000 -0.054 0.000 0.915 111 F CB 2.081 41.042 39.000 -0.066 0.000 1.186 111 F HN 0.573 nan 8.300 nan 0.000 0.456 112 N N 2.792 121.545 118.700 0.089 0.000 2.479 112 N HA 0.328 5.068 4.740 -0.000 0.000 0.261 112 N C -1.797 173.781 175.510 0.114 0.000 0.979 112 N CA -0.320 52.832 53.050 0.170 0.000 0.930 112 N CB 0.432 38.940 38.487 0.036 0.000 1.172 112 N HN 0.358 nan 8.380 nan 0.000 0.499 113 F N 1.234 121.340 119.950 0.261 0.000 2.404 113 F HA 0.461 4.987 4.527 -0.000 0.000 0.354 113 F C 1.563 177.528 175.800 0.275 0.000 1.122 113 F CA -0.520 57.605 58.000 0.208 0.000 1.080 113 F CB 1.408 40.507 39.000 0.165 0.000 1.131 113 F HN 0.377 nan 8.300 nan 0.000 0.471 114 G N 0.934 109.902 108.800 0.280 0.000 2.667 114 G HA2 0.218 4.177 3.960 -0.000 0.000 0.250 114 G HA3 0.218 4.177 3.960 -0.000 0.000 0.250 114 G C 0.881 175.891 174.900 0.183 0.000 1.212 114 G CA -0.051 45.190 45.100 0.236 0.000 0.874 114 G HN 0.746 nan 8.290 nan 0.000 0.561 115 S N -0.751 114.996 115.700 0.079 0.000 2.419 115 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 115 S C 1.785 176.463 174.600 0.131 0.000 1.016 115 S CA 1.766 59.933 58.200 -0.056 0.000 0.974 115 S CB -0.626 62.141 63.200 -0.722 0.000 0.786 115 S HN 0.921 nan 8.310 nan 0.000 0.492 116 H N -0.088 119.037 119.070 0.092 0.000 2.559 116 H HA 0.309 4.865 4.556 -0.000 0.000 0.273 116 H C 1.157 176.565 175.328 0.132 0.000 1.000 116 H CA 0.868 56.976 56.048 0.100 0.000 1.195 116 H CB -0.294 29.511 29.762 0.072 0.000 1.368 116 H HN 0.357 nan 8.280 nan 0.000 0.592 117 N N 0.552 119.107 118.700 -0.242 0.000 2.480 117 N HA 0.013 4.752 4.740 -0.000 0.000 0.281 117 N C 0.869 176.316 175.510 -0.104 0.000 1.381 117 N CA 0.414 53.388 53.050 -0.126 0.000 0.903 117 N CB 0.300 38.736 38.487 -0.085 0.000 1.274 117 N HN 0.453 nan 8.380 nan 0.000 0.505 118 S N -1.400 114.282 115.700 -0.030 0.000 2.428 118 S HA -0.018 4.452 4.470 -0.000 0.000 0.230 118 S C 2.038 176.486 174.600 -0.253 0.000 1.014 118 S CA 0.716 58.809 58.200 -0.179 0.000 0.957 118 S CB -0.107 63.208 63.200 0.193 0.000 0.784 118 S HN 0.250 nan 8.310 nan 0.000 0.499 119 A N 2.354 125.096 122.820 -0.130 0.000 1.908 119 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 119 A C 1.969 179.436 177.584 -0.195 0.000 1.181 119 A CA 1.903 53.865 52.037 -0.125 0.000 0.627 119 A CB -1.002 17.962 19.000 -0.060 0.000 0.818 119 A HN 0.495 nan 8.150 nan 0.000 0.445 120 D N -0.530 119.737 120.400 -0.222 0.000 2.117 120 D HA -0.079 4.560 4.640 -0.000 0.000 0.198 120 D C 2.053 178.073 176.300 -0.466 0.000 0.982 120 D CA 1.325 55.167 54.000 -0.263 0.000 0.828 120 D CB -0.333 40.369 40.800 -0.164 0.000 0.967 120 D HN 0.201 nan 8.370 nan 0.000 0.464 121 V N 0.993 120.475 119.914 -0.720 0.000 2.407 121 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 121 V C 1.956 177.724 176.094 -0.544 0.000 1.055 121 V CA 1.510 63.285 62.300 -0.876 0.000 1.049 121 V CB -0.447 30.590 31.823 -1.311 0.000 0.662 121 V HN 0.230 nan 8.190 nan 0.000 0.455 122 E N -0.037 119.907 120.200 -0.428 0.000 2.478 122 E HA 0.006 4.356 4.350 -0.000 0.000 0.198 122 E C 1.898 178.382 176.600 -0.193 0.000 1.046 122 E CA 0.778 57.020 56.400 -0.263 0.000 0.870 122 E CB -0.064 29.520 29.700 -0.193 0.000 0.818 122 E HN 0.616 nan 8.360 nan 0.000 0.527 123 A N 0.326 123.022 122.820 -0.207 0.000 2.303 123 A HA 0.186 4.506 4.320 -0.000 0.000 0.217 123 A C 0.890 178.387 177.584 -0.145 0.000 1.205 123 A CA -0.198 51.750 52.037 -0.148 0.000 0.875 123 A CB 0.268 19.191 19.000 -0.128 0.000 0.910 123 A HN 0.030 nan 8.150 nan 0.000 0.501 124 L N -0.501 120.609 121.223 -0.188 0.000 2.479 124 L HA 0.475 4.815 4.340 -0.000 0.000 0.249 124 L C 0.517 177.315 176.870 -0.119 0.000 1.178 124 L CA -0.290 54.455 54.840 -0.158 0.000 0.811 124 L CB 1.166 43.104 42.059 -0.203 0.000 1.187 124 L HN 0.174 nan 8.230 nan 0.000 0.480 125 S N 0.255 115.902 115.700 -0.089 0.000 2.566 125 S HA 0.337 4.807 4.470 -0.000 0.000 0.273 125 S C -0.899 173.673 174.600 -0.046 0.000 1.157 125 S CA -0.923 57.239 58.200 -0.064 0.000 0.938 125 S CB 0.974 64.142 63.200 -0.053 0.000 1.087 125 S HN 0.544 nan 8.310 nan 0.000 0.474 126 N N 2.102 120.781 118.700 -0.036 0.000 2.454 126 N HA 0.274 5.014 4.740 -0.000 0.000 0.260 126 N C 1.270 176.771 175.510 -0.015 0.000 1.218 126 N CA 1.788 54.826 53.050 -0.020 0.000 0.904 126 N CB 0.898 39.377 38.487 -0.013 0.000 1.065 126 N HN 1.167 nan 8.380 nan 0.000 0.462 127 G N 0.788 109.583 108.800 -0.007 0.000 2.195 127 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 127 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 127 G C -0.053 174.843 174.900 -0.007 0.000 0.984 127 G CA 0.103 45.200 45.100 -0.005 0.000 0.633 127 G HN 0.564 nan 8.290 nan 0.000 0.525 128 S N -0.157 115.534 115.700 -0.015 0.000 2.525 128 S HA 0.642 5.111 4.470 -0.000 0.000 0.290 128 S C 0.537 175.128 174.600 -0.015 0.000 1.152 128 S CA -0.473 57.717 58.200 -0.017 0.000 1.072 128 S CB 2.348 65.530 63.200 -0.029 0.000 1.027 128 S HN 0.639 nan 8.310 nan 0.000 0.500 129 V N 2.537 122.445 119.914 -0.009 0.000 2.637 129 V HA 0.571 4.691 4.120 -0.000 0.000 0.296 129 V C 0.512 176.596 176.094 -0.017 0.000 1.046 129 V CA 0.154 62.452 62.300 -0.004 0.000 1.066 129 V CB 0.648 32.473 31.823 0.004 0.000 0.968 129 V HN 1.016 nan 8.190 nan 0.000 0.483 130 A N 3.822 126.630 122.820 -0.020 0.000 2.566 130 A HA 0.879 5.199 4.320 -0.000 0.000 0.292 130 A C -0.499 177.067 177.584 -0.030 0.000 1.112 130 A CA -0.619 51.395 52.037 -0.040 0.000 0.707 130 A CB 2.153 21.108 19.000 -0.076 0.000 1.302 130 A HN 0.654 nan 8.150 nan 0.000 0.409 131 T N 1.214 115.746 114.554 -0.037 0.000 2.841 131 T HA 0.642 4.992 4.350 -0.000 0.000 0.285 131 T C -0.802 173.870 174.700 -0.047 0.000 0.991 131 T CA 0.017 62.108 62.100 -0.016 0.000 0.966 131 T CB 0.500 69.373 68.868 0.009 0.000 0.962 131 T HN 0.467 nan 8.240 nan 0.000 0.438 132 I N 2.480 123.013 120.570 -0.061 0.000 2.533 132 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 132 I C -0.533 175.618 176.117 0.056 0.000 1.056 132 I CA -1.282 59.959 61.300 -0.098 0.000 1.057 132 I CB 2.288 39.987 38.000 -0.502 0.000 1.240 132 I HN 0.262 nan 8.210 nan 0.000 0.423 133 V N 4.355 124.318 119.914 0.083 0.000 2.509 133 V HA 0.820 4.939 4.120 -0.000 0.000 0.284 133 V C 0.532 176.771 176.094 0.242 0.000 1.047 133 V CA -0.093 62.303 62.300 0.160 0.000 0.952 133 V CB 1.349 33.248 31.823 0.126 0.000 0.988 133 V HN 0.978 nan 8.190 nan 0.000 0.469 134 G N 3.236 112.195 108.800 0.265 0.000 2.684 134 G HA2 0.578 4.537 3.960 -0.000 0.000 0.290 134 G HA3 0.578 4.537 3.960 -0.000 0.000 0.290 134 G C -1.746 173.111 174.900 -0.071 0.000 1.425 134 G CA -0.545 44.643 45.100 0.147 0.000 0.822 134 G HN 0.562 nan 8.290 nan 0.000 0.482 135 Q N -0.017 119.487 119.800 -0.494 0.000 2.312 135 Q HA 0.581 4.920 4.340 -0.000 0.000 0.263 135 Q C -0.884 174.819 176.000 -0.495 0.000 0.995 135 Q CA -0.657 54.637 55.803 -0.847 0.000 0.853 135 Q CB 2.187 30.025 28.738 -1.500 0.000 1.300 135 Q HN 0.338 nan 8.270 nan 0.000 0.448 136 V N 4.901 124.652 119.914 -0.271 0.000 2.408 136 V HA 0.216 4.336 4.120 -0.000 0.000 0.267 136 V C -0.020 176.128 176.094 0.090 0.000 1.047 136 V CA -0.067 62.191 62.300 -0.071 0.000 0.937 136 V CB 0.457 32.346 31.823 0.110 0.000 0.999 136 V HN 0.795 nan 8.190 nan 0.000 0.472 137 H N 2.360 121.356 119.070 -0.123 0.000 2.649 137 H HA 0.383 4.939 4.556 -0.000 0.000 0.337 137 H C -0.174 175.129 175.328 -0.042 0.000 1.282 137 H CA -1.101 54.891 56.048 -0.093 0.000 1.333 137 H CB 1.357 31.053 29.762 -0.111 0.000 1.787 137 H HN 0.513 nan 8.280 nan 0.000 0.632 138 Q N 1.124 120.972 119.800 0.080 0.000 2.300 138 Q HA 0.073 4.413 4.340 -0.000 0.000 0.280 138 Q C -1.247 174.782 176.000 0.047 0.000 1.033 138 Q CA -0.035 55.798 55.803 0.049 0.000 0.903 138 Q CB 0.473 29.217 28.738 0.011 0.000 1.195 138 Q HN 0.284 nan 8.270 nan 0.000 0.386 139 V N 6.105 126.054 119.914 0.059 0.000 2.334 139 V HA 0.289 4.409 4.120 -0.000 0.000 0.267 139 V C -0.168 175.943 176.094 0.029 0.000 1.040 139 V CA -0.333 61.990 62.300 0.038 0.000 0.866 139 V CB 0.724 32.595 31.823 0.079 0.000 1.019 139 V HN 0.765 nan 8.190 nan 0.000 0.468 140 Q N 2.469 122.274 119.800 0.009 0.000 2.413 140 Q HA 0.413 4.753 4.340 -0.000 0.000 0.276 140 Q C -0.575 175.424 176.000 -0.002 0.000 1.099 140 Q CA -0.887 54.920 55.803 0.006 0.000 0.814 140 Q CB 2.302 31.041 28.738 0.002 0.000 1.379 140 Q HN 0.747 nan 8.270 nan 0.000 0.436 141 D N 0.548 120.948 120.400 -0.000 0.000 2.772 141 D HA -0.158 4.482 4.640 -0.000 0.000 0.233 141 D C -0.636 175.660 176.300 -0.006 0.000 1.143 141 D CA 1.527 55.526 54.000 -0.003 0.000 0.700 141 D CB -0.925 39.873 40.800 -0.004 0.000 1.076 141 D HN 0.448 nan 8.370 nan 0.000 0.430 142 S N -2.241 113.456 115.700 -0.005 0.000 2.611 142 S HA 0.461 4.930 4.470 -0.000 0.000 0.270 142 S C 0.579 175.176 174.600 -0.005 0.000 1.131 142 S CA 0.223 58.414 58.200 -0.015 0.000 0.826 142 S CB 1.512 64.693 63.200 -0.032 0.000 1.095 142 S HN 0.131 nan 8.310 nan 0.000 0.461 143 T N 0.037 114.582 114.554 -0.014 0.000 2.975 143 T HA 0.480 4.830 4.350 -0.000 0.000 0.257 143 T C 0.305 174.985 174.700 -0.033 0.000 1.003 143 T CA 0.076 62.183 62.100 0.011 0.000 0.932 143 T CB -0.332 68.544 68.868 0.014 0.000 1.087 143 T HN 0.443 nan 8.240 nan 0.000 0.512 144 I N 3.282 123.776 120.570 -0.126 0.000 2.433 144 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 144 I C -2.515 173.403 176.117 -0.332 0.000 1.001 144 I CA -2.962 58.162 61.300 -0.294 0.000 1.119 144 I CB 2.435 40.306 38.000 -0.216 0.000 1.289 144 I HN -0.062 nan 8.210 nan 0.000 0.438 145 P HA 0.148 nan 4.420 nan 0.000 0.275 145 P C -0.729 176.380 177.300 -0.319 0.000 1.228 145 P CA -0.273 62.591 63.100 -0.393 0.000 0.786 145 P CB 0.695 32.094 31.700 -0.502 0.000 0.927 146 T N 3.421 117.826 114.554 -0.248 0.000 2.753 146 T HA 0.335 4.684 4.350 -0.000 0.000 0.297 146 T C 0.436 174.945 174.700 -0.318 0.000 0.981 146 T CA -0.417 61.532 62.100 -0.252 0.000 0.956 146 T CB -0.102 68.680 68.868 -0.145 0.000 0.936 146 T HN 0.191 nan 8.240 nan 0.000 0.463 147 L N 3.990 124.935 121.223 -0.464 0.000 2.453 147 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 147 L C 0.738 177.388 176.870 -0.367 0.000 1.182 147 L CA -0.396 54.160 54.840 -0.473 0.000 0.858 147 L CB 0.387 42.056 42.059 -0.651 0.000 1.120 147 L HN 0.426 nan 8.230 nan 0.000 0.474 148 Q N 2.206 121.732 119.800 -0.458 0.000 2.241 148 Q HA 0.269 4.609 4.340 -0.000 0.000 0.262 148 Q C -0.046 175.757 176.000 -0.328 0.000 1.014 148 Q CA -0.833 54.691 55.803 -0.464 0.000 0.885 148 Q CB 1.191 29.377 28.738 -0.919 0.000 1.311 148 Q HN 0.505 nan 8.270 nan 0.000 0.461 149 N N -0.420 118.180 118.700 -0.166 0.000 2.714 149 N HA -0.144 4.596 4.740 -0.000 0.000 0.252 149 N C -2.498 173.067 175.510 0.091 0.000 1.014 149 N CA 0.452 53.531 53.050 0.049 0.000 0.735 149 N CB -1.332 37.282 38.487 0.210 0.000 0.924 149 N HN 0.331 nan 8.380 nan 0.000 0.540 150 P HA 0.260 nan 4.420 nan 0.000 0.276 150 P C -0.054 177.198 177.300 -0.080 0.000 1.252 150 P CA -0.002 62.970 63.100 -0.214 0.000 0.802 150 P CB 0.972 32.209 31.700 -0.772 0.000 1.035 151 K N 0.666 121.085 120.400 0.033 0.000 2.565 151 K HA 0.345 4.665 4.320 -0.000 0.000 0.249 151 K C -1.443 175.210 176.600 0.088 0.000 0.958 151 K CA -0.731 55.614 56.287 0.097 0.000 0.806 151 K CB 1.523 34.049 32.500 0.044 0.000 1.194 151 K HN 0.101 nan 8.250 nan 0.000 0.434 152 V N 5.072 125.058 119.914 0.121 0.000 2.470 152 V HA 0.016 4.136 4.120 -0.000 0.000 0.276 152 V C 1.216 177.312 176.094 0.004 0.000 1.040 152 V CA -0.104 62.219 62.300 0.039 0.000 1.008 152 V CB 1.173 32.991 31.823 -0.008 0.000 0.990 152 V HN 0.687 nan 8.190 nan 0.000 0.477 153 V N 4.715 124.625 119.914 -0.007 0.000 2.341 153 V HA 0.108 4.228 4.120 -0.000 0.000 0.240 153 V C 0.688 176.773 176.094 -0.016 0.000 1.035 153 V CA 1.459 63.754 62.300 -0.008 0.000 1.033 153 V CB -0.299 31.523 31.823 -0.000 0.000 0.678 153 V HN 1.032 nan 8.190 nan 0.000 0.464 154 K N 0.000 120.388 120.400 -0.020 0.000 2.780 154 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 154 K CA 0.000 56.272 56.287 -0.024 0.000 0.838 154 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 154 K HN 0.000 nan 8.250 nan 0.000 0.543