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 3f09_1_B DATA FIRST_RESID -3 DATA SEQUENCE QSNAMIHGIG VDLIEIDRIQ ALYSKQPKLV ERILTKNEQH KFNNFTHEQR DATA SEQUENCE KIEFLAGRFA TKEAFSKALG XXXXXXVAFN DIDCYNDXLG KPKIDYEGFI DATA SEQUENCE VHVSISHTEH YAMSQVVLEK SAF 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 -3 Q HA 0.000 nan 4.340 nan 0.000 0.214 -3 Q C 0.000 176.016 176.000 0.026 0.000 1.003 -3 Q CA 0.000 55.812 55.803 0.015 0.000 1.022 -3 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 -2 S N -0.721 114.993 115.700 0.023 0.000 2.597 -2 S HA 0.321 4.791 4.470 -0.001 0.000 0.274 -2 S C -1.529 173.077 174.600 0.010 0.000 1.132 -2 S CA -0.549 57.658 58.200 0.011 0.000 0.835 -2 S CB 0.904 64.108 63.200 0.007 0.000 1.092 -2 S HN 0.261 nan 8.310 nan 0.000 0.457 -1 N N 1.736 120.437 118.700 0.002 0.000 2.362 -1 N HA 0.286 5.026 4.740 -0.001 0.000 0.211 -1 N C 0.301 175.814 175.510 0.004 0.000 1.170 -1 N CA 0.457 53.506 53.050 -0.002 0.000 0.828 -1 N CB 0.217 38.700 38.487 -0.006 0.000 1.034 -1 N HN 0.715 nan 8.380 nan 0.000 0.475 0 A N 0.612 123.440 122.820 0.012 0.000 2.445 0 A HA 0.091 4.410 4.320 -0.001 0.000 0.242 0 A C 1.579 179.184 177.584 0.035 0.000 1.075 0 A CA -0.304 51.744 52.037 0.018 0.000 0.777 0 A CB 0.263 19.272 19.000 0.015 0.000 1.013 0 A HN 0.403 nan 8.150 nan 0.000 0.493 1 M N 2.306 121.928 119.600 0.037 0.000 2.200 1 M HA 0.141 4.621 4.480 -0.001 0.000 0.265 1 M C -0.123 176.234 176.300 0.096 0.000 1.066 1 M CA 1.523 56.856 55.300 0.056 0.000 1.127 1 M CB -0.084 32.544 32.600 0.046 0.000 1.379 1 M HN 0.562 nan 8.290 nan 0.000 0.420 2 I N 0.390 121.009 120.570 0.081 0.000 2.359 2 I HA 0.111 4.281 4.170 -0.001 0.000 0.294 2 I C 0.782 176.964 176.117 0.109 0.000 0.987 2 I CA -0.467 60.894 61.300 0.101 0.000 1.225 2 I CB 1.425 39.455 38.000 0.050 0.000 1.366 2 I HN 0.249 nan 8.210 nan 0.000 0.466 3 H N 4.905 124.014 119.070 0.065 0.000 2.384 3 H HA 0.289 4.845 4.556 -0.000 0.000 0.300 3 H C 0.530 175.830 175.328 -0.047 0.000 1.057 3 H CA 1.050 57.129 56.048 0.052 0.000 1.370 3 H CB 0.487 30.320 29.762 0.117 0.000 1.417 3 H HN 0.650 nan 8.280 nan 0.000 0.527 4 G N -0.487 108.262 108.800 -0.086 0.000 2.489 4 G HA2 0.404 4.364 3.960 -0.001 0.000 0.291 4 G HA3 0.404 4.364 3.960 -0.001 0.000 0.291 4 G C -1.487 173.355 174.900 -0.097 0.000 1.487 4 G CA -0.345 44.661 45.100 -0.156 0.000 0.795 4 G HN 0.490 nan 8.290 nan 0.000 0.513 5 I N -1.822 118.691 120.570 -0.095 0.000 2.934 5 I HA 1.010 5.180 4.170 -0.001 0.000 0.306 5 I C -0.014 176.057 176.117 -0.077 0.000 1.110 5 I CA -1.317 59.941 61.300 -0.070 0.000 1.019 5 I CB 2.551 40.526 38.000 -0.042 0.000 1.227 5 I HN 1.034 nan 8.210 nan 0.000 0.434 6 G N 2.191 110.956 108.800 -0.059 0.000 2.696 6 G HA2 0.611 4.571 3.960 -0.001 0.000 0.295 6 G HA3 0.611 4.571 3.960 -0.001 0.000 0.295 6 G C -2.131 172.756 174.900 -0.022 0.000 1.398 6 G CA -0.723 44.348 45.100 -0.048 0.000 0.920 6 G HN 0.731 nan 8.290 nan 0.000 0.492 7 V N 0.362 120.270 119.914 -0.011 0.000 2.888 7 V HA 0.810 4.929 4.120 -0.001 0.000 0.309 7 V C -1.930 174.176 176.094 0.020 0.000 1.114 7 V CA -0.728 61.574 62.300 0.003 0.000 0.940 7 V CB 2.507 34.329 31.823 -0.002 0.000 1.021 7 V HN 0.876 nan 8.190 nan 0.000 0.426 8 D N 3.503 123.924 120.400 0.035 0.000 2.964 8 D HA 0.561 5.200 4.640 -0.001 0.000 0.234 8 D C -1.698 174.649 176.300 0.078 0.000 1.223 8 D CA -0.241 53.798 54.000 0.066 0.000 0.889 8 D CB 2.098 42.954 40.800 0.093 0.000 1.609 8 D HN 0.592 nan 8.370 nan 0.000 0.523 9 L N 4.578 125.853 121.223 0.087 0.000 2.322 9 L HA 0.697 5.036 4.340 -0.001 0.000 0.281 9 L C -1.624 175.340 176.870 0.158 0.000 1.014 9 L CA -0.451 54.452 54.840 0.104 0.000 0.815 9 L CB 1.280 43.368 42.059 0.049 0.000 1.247 9 L HN 0.376 nan 8.230 nan 0.000 0.421 10 I N 3.532 124.223 120.570 0.201 0.000 2.619 10 I HA 0.330 4.500 4.170 -0.001 0.000 0.292 10 I C -0.414 175.796 176.117 0.155 0.000 1.100 10 I CA -0.510 60.886 61.300 0.159 0.000 1.043 10 I CB 2.111 40.169 38.000 0.096 0.000 1.239 10 I HN 0.657 nan 8.210 nan 0.000 0.420 11 E N 5.114 125.341 120.200 0.044 0.000 2.257 11 E HA 0.187 4.537 4.350 -0.001 0.000 0.278 11 E C 0.825 177.327 176.600 -0.164 0.000 1.049 11 E CA -0.510 55.775 56.400 -0.193 0.000 0.876 11 E CB 1.560 31.161 29.700 -0.164 0.000 1.035 11 E HN 0.335 nan 8.360 nan 0.000 0.419 12 I N 3.649 124.105 120.570 -0.190 0.000 2.208 12 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 12 I C 2.068 178.127 176.117 -0.096 0.000 1.097 12 I CA 1.400 62.630 61.300 -0.117 0.000 1.363 12 I CB -1.101 36.838 38.000 -0.101 0.000 1.051 12 I HN 0.681 nan 8.210 nan 0.000 0.413 13 D N 1.184 121.523 120.400 -0.102 0.000 2.182 13 D HA -0.249 4.391 4.640 -0.001 0.000 0.201 13 D C 2.044 178.308 176.300 -0.060 0.000 0.986 13 D CA 1.315 55.276 54.000 -0.065 0.000 0.847 13 D CB -0.515 40.243 40.800 -0.070 0.000 0.942 13 D HN 0.365 nan 8.370 nan 0.000 0.467 14 R N -0.271 120.180 120.500 -0.083 0.000 2.073 14 R HA 0.044 4.384 4.340 -0.001 0.000 0.229 14 R C 2.480 178.724 176.300 -0.093 0.000 1.120 14 R CA 0.635 56.685 56.100 -0.082 0.000 0.967 14 R CB -0.053 30.190 30.300 -0.096 0.000 0.862 14 R HN 0.230 nan 8.270 nan 0.000 0.436 15 I N 1.101 121.603 120.570 -0.114 0.000 2.315 15 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 15 I C 2.445 178.562 176.117 0.001 0.000 1.117 15 I CA 1.311 62.549 61.300 -0.104 0.000 1.404 15 I CB -0.911 37.016 38.000 -0.122 0.000 1.071 15 I HN 0.169 nan 8.210 nan 0.000 0.419 16 Q N 1.732 121.535 119.800 0.006 0.000 2.050 16 Q HA -0.140 4.199 4.340 -0.001 0.000 0.202 16 Q C 2.260 178.307 176.000 0.078 0.000 0.980 16 Q CA 2.534 58.375 55.803 0.063 0.000 0.840 16 Q CB -0.367 28.387 28.738 0.027 0.000 0.898 16 Q HN 0.432 nan 8.270 nan 0.000 0.424 17 A N 0.509 123.344 122.820 0.024 0.000 1.902 17 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 17 A C 2.160 179.756 177.584 0.019 0.000 1.181 17 A CA 1.431 53.475 52.037 0.012 0.000 0.623 17 A CB -0.945 18.048 19.000 -0.011 0.000 0.818 17 A HN 0.547 nan 8.150 nan 0.000 0.443 18 L N -1.998 119.237 121.223 0.020 0.000 2.017 18 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 18 L C 2.493 179.415 176.870 0.085 0.000 1.073 18 L CA 2.272 57.130 54.840 0.029 0.000 0.745 18 L CB -0.418 41.639 42.059 -0.003 0.000 0.894 18 L HN 0.522 nan 8.230 nan 0.000 0.432 19 Y N 0.110 120.413 120.300 0.004 0.000 2.242 19 Y HA -0.215 4.334 4.550 -0.001 0.000 0.291 19 Y C 2.626 178.548 175.900 0.037 0.000 1.137 19 Y CA 1.668 59.789 58.100 0.035 0.000 1.181 19 Y CB -0.392 38.120 38.460 0.086 0.000 0.989 19 Y HN 0.232 nan 8.280 nan 0.000 0.527 20 S N 0.151 115.823 115.700 -0.046 0.000 2.356 20 S HA -0.173 4.297 4.470 -0.001 0.000 0.223 20 S C 1.892 176.417 174.600 -0.125 0.000 1.032 20 S CA 1.674 59.799 58.200 -0.124 0.000 1.005 20 S CB -0.184 63.002 63.200 -0.025 0.000 0.867 20 S HN 0.441 nan 8.310 nan 0.000 0.449 21 K N 0.385 120.745 120.400 -0.067 0.000 1.991 21 K HA 0.089 4.409 4.320 -0.001 0.000 0.207 21 K C 0.600 177.164 176.600 -0.060 0.000 1.045 21 K CA 0.799 57.056 56.287 -0.051 0.000 0.937 21 K CB 0.086 32.571 32.500 -0.025 0.000 0.720 21 K HN 0.141 nan 8.250 nan 0.000 0.438 22 Q N 0.142 119.913 119.800 -0.048 0.000 2.965 22 Q HA 0.163 4.503 4.340 -0.001 0.000 0.288 22 Q C -2.237 173.746 176.000 -0.028 0.000 0.974 22 Q CA -1.516 54.267 55.803 -0.033 0.000 0.849 22 Q CB 1.472 30.209 28.738 -0.002 0.000 1.280 22 Q HN 0.122 nan 8.270 nan 0.000 0.441 23 P HA -0.162 nan 4.420 nan 0.000 0.219 23 P C 0.908 178.226 177.300 0.030 0.000 1.146 23 P CA 0.957 63.991 63.100 -0.109 0.000 0.808 23 P CB 0.506 32.047 31.700 -0.264 0.000 0.779 24 K N -0.239 120.166 120.400 0.008 0.000 2.283 24 K HA 0.031 4.351 4.320 -0.001 0.000 0.202 24 K C 2.108 178.729 176.600 0.035 0.000 1.048 24 K CA 0.549 56.850 56.287 0.023 0.000 0.948 24 K CB -0.855 31.652 32.500 0.012 0.000 0.742 24 K HN 0.316 nan 8.250 nan 0.000 0.458 25 L N 0.636 121.887 121.223 0.047 0.000 2.275 25 L HA -0.126 4.213 4.340 -0.001 0.000 0.215 25 L C 2.103 179.017 176.870 0.073 0.000 1.119 25 L CA 0.490 55.366 54.840 0.061 0.000 0.790 25 L CB -0.579 41.525 42.059 0.075 0.000 0.919 25 L HN -0.134 nan 8.230 nan 0.000 0.443 26 V N 0.843 120.793 119.914 0.059 0.000 2.469 26 V HA -0.287 3.833 4.120 -0.001 0.000 0.251 26 V C 2.463 178.558 176.094 0.002 0.000 1.064 26 V CA 2.116 64.415 62.300 -0.001 0.000 1.066 26 V CB -0.777 30.946 31.823 -0.167 0.000 0.667 26 V HN 0.684 nan 8.190 nan 0.000 0.461 27 E N -0.110 120.099 120.200 0.015 0.000 2.409 27 E HA -0.188 4.162 4.350 -0.001 0.000 0.198 27 E C 2.044 178.671 176.600 0.045 0.000 1.024 27 E CA 0.611 57.027 56.400 0.026 0.000 0.861 27 E CB -0.098 29.617 29.700 0.026 0.000 0.788 27 E HN 0.369 nan 8.360 nan 0.000 0.521 28 R N 0.097 120.630 120.500 0.055 0.000 2.308 28 R HA 0.306 4.646 4.340 -0.001 0.000 0.202 28 R C 1.780 178.145 176.300 0.108 0.000 0.898 28 R CA 0.173 56.311 56.100 0.063 0.000 1.046 28 R CB 0.162 30.486 30.300 0.040 0.000 1.026 28 R HN 0.347 nan 8.270 nan 0.000 0.512 29 I N -0.058 120.594 120.570 0.136 0.000 2.729 29 I HA 0.026 4.196 4.170 -0.001 0.000 0.256 29 I C 0.620 176.820 176.117 0.138 0.000 1.115 29 I CA 0.408 61.837 61.300 0.216 0.000 1.446 29 I CB 0.260 38.428 38.000 0.279 0.000 1.176 29 I HN -0.149 nan 8.210 nan 0.000 0.446 30 L N 1.429 122.706 121.223 0.089 0.000 2.334 30 L HA 0.261 4.601 4.340 -0.001 0.000 0.277 30 L C 0.577 177.493 176.870 0.076 0.000 1.075 30 L CA -0.565 54.322 54.840 0.078 0.000 0.804 30 L CB 1.335 43.446 42.059 0.087 0.000 1.174 30 L HN 0.253 nan 8.230 nan 0.000 0.438 31 T N -1.165 113.436 114.554 0.078 0.000 2.766 31 T HA 0.120 4.470 4.350 -0.001 0.000 0.295 31 T C 0.996 175.747 174.700 0.085 0.000 1.024 31 T CA -0.513 61.629 62.100 0.070 0.000 1.018 31 T CB 0.981 69.885 68.868 0.060 0.000 1.002 31 T HN 0.553 nan 8.240 nan 0.000 0.532 32 K N 0.541 120.980 120.400 0.065 0.000 2.097 32 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 32 K C 2.250 178.908 176.600 0.097 0.000 1.049 32 K CA 1.313 57.641 56.287 0.068 0.000 0.933 32 K CB -0.231 32.291 32.500 0.036 0.000 0.717 32 K HN 0.485 nan 8.250 nan 0.000 0.442 33 N N 1.314 120.070 118.700 0.092 0.000 2.084 33 N HA -0.157 4.583 4.740 -0.001 0.000 0.190 33 N C 1.565 177.192 175.510 0.195 0.000 1.030 33 N CA 1.286 54.409 53.050 0.121 0.000 0.849 33 N CB -0.146 38.395 38.487 0.090 0.000 1.012 33 N HN 0.325 nan 8.380 nan 0.000 0.423 34 E N 0.871 121.204 120.200 0.222 0.000 2.077 34 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 34 E C 1.946 178.746 176.600 0.333 0.000 0.989 34 E CA 0.803 57.418 56.400 0.358 0.000 0.800 34 E CB -0.092 29.814 29.700 0.343 0.000 0.746 34 E HN 0.458 nan 8.360 nan 0.000 0.452 35 Q N -0.278 119.660 119.800 0.231 0.000 2.170 35 Q HA -0.198 4.142 4.340 -0.001 0.000 0.203 35 Q C 2.191 178.319 176.000 0.213 0.000 0.976 35 Q CA 1.127 57.050 55.803 0.200 0.000 0.858 35 Q CB -0.219 28.589 28.738 0.117 0.000 0.907 35 Q HN 0.477 nan 8.270 nan 0.000 0.433 36 H N 0.909 120.022 119.070 0.071 0.000 2.353 36 H HA -0.104 4.452 4.556 -0.001 0.000 0.300 36 H C 1.572 176.850 175.328 -0.083 0.000 1.090 36 H CA 1.137 57.189 56.048 0.008 0.000 1.327 36 H CB 0.488 30.244 29.762 -0.010 0.000 1.383 36 H HN 0.030 nan 8.280 nan 0.000 0.508 37 K N 0.658 120.922 120.400 -0.227 0.000 2.002 37 K HA -0.166 4.154 4.320 -0.001 0.000 0.209 37 K C 2.218 178.436 176.600 -0.637 0.000 1.048 37 K CA 0.996 56.933 56.287 -0.583 0.000 0.930 37 K CB -1.292 30.843 32.500 -0.609 0.000 0.714 37 K HN 0.279 nan 8.250 nan 0.000 0.438 38 F N 3.390 123.090 119.950 -0.416 0.000 2.043 38 F HA -0.281 4.246 4.527 -0.001 0.000 0.297 38 F C 1.815 177.597 175.800 -0.030 0.000 1.121 38 F CA 1.726 59.678 58.000 -0.079 0.000 1.199 38 F CB -0.335 38.723 39.000 0.097 0.000 0.968 38 F HN 0.069 nan 8.300 nan 0.000 0.478 39 N N 0.954 119.819 118.700 0.274 0.000 2.272 39 N HA -0.193 4.546 4.740 -0.001 0.000 0.185 39 N C 1.368 176.823 175.510 -0.091 0.000 1.014 39 N CA 1.238 54.380 53.050 0.152 0.000 0.870 39 N CB -0.723 37.872 38.487 0.180 0.000 0.975 39 N HN 0.425 nan 8.380 nan 0.000 0.433 40 N N 0.612 119.131 118.700 -0.302 0.000 2.106 40 N HA -0.062 4.677 4.740 -0.001 0.000 0.188 40 N C 0.008 175.342 175.510 -0.292 0.000 1.029 40 N CA 0.271 53.093 53.050 -0.380 0.000 0.848 40 N CB -0.534 37.585 38.487 -0.614 0.000 1.007 40 N HN 0.110 nan 8.380 nan 0.000 0.423 41 F N 1.385 121.189 119.950 -0.243 0.000 2.548 41 F HA -0.117 4.409 4.527 -0.000 0.000 0.403 41 F C 2.048 177.830 175.800 -0.030 0.000 1.004 41 F CA 0.322 58.233 58.000 -0.149 0.000 1.177 41 F CB -0.081 38.687 39.000 -0.387 0.000 0.974 41 F HN 0.077 nan 8.300 nan 0.000 0.541 42 T N -0.860 113.893 114.554 0.332 0.000 3.067 42 T HA -0.029 4.321 4.350 -0.001 0.000 0.257 42 T C 0.300 175.134 174.700 0.223 0.000 1.105 42 T CA 0.307 62.500 62.100 0.156 0.000 1.104 42 T CB -0.459 68.404 68.868 -0.009 0.000 0.925 42 T HN 0.488 nan 8.240 nan 0.000 0.498 43 H N 1.094 120.159 119.070 -0.009 0.000 2.519 43 H HA 0.564 5.120 4.556 -0.000 0.000 0.316 43 H C 0.627 175.891 175.328 -0.108 0.000 1.065 43 H CA -1.940 54.080 56.048 -0.047 0.000 1.264 43 H CB 0.704 30.440 29.762 -0.044 0.000 1.413 43 H HN -0.018 nan 8.280 nan 0.000 0.465 44 E N 1.835 122.031 120.200 -0.006 0.000 2.077 44 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 44 E C 1.682 178.179 176.600 -0.172 0.000 0.989 44 E CA 0.819 57.169 56.400 -0.084 0.000 0.800 44 E CB 0.136 29.836 29.700 0.000 0.000 0.746 44 E HN 0.679 nan 8.360 nan 0.000 0.452 45 Q N 1.181 120.897 119.800 -0.140 0.000 2.170 45 Q HA -0.148 4.191 4.340 -0.001 0.000 0.203 45 Q C 1.873 177.678 176.000 -0.326 0.000 0.976 45 Q CA 1.150 56.847 55.803 -0.177 0.000 0.858 45 Q CB 0.020 28.688 28.738 -0.115 0.000 0.907 45 Q HN 0.259 nan 8.270 nan 0.000 0.433 46 R N 0.369 120.572 120.500 -0.494 0.000 2.161 46 R HA -0.042 4.298 4.340 -0.001 0.000 0.213 46 R C 2.325 178.028 176.300 -0.995 0.000 1.055 46 R CA 1.179 56.805 56.100 -0.791 0.000 0.996 46 R CB -0.150 29.449 30.300 -1.168 0.000 0.901 46 R HN 0.314 nan 8.270 nan 0.000 0.456 47 K N 0.527 120.418 120.400 -0.849 0.000 2.167 47 K HA 0.004 4.323 4.320 -0.001 0.000 0.203 47 K C 1.796 178.151 176.600 -0.409 0.000 1.052 47 K CA 0.703 56.482 56.287 -0.848 0.000 0.956 47 K CB 0.083 31.939 32.500 -1.075 0.000 0.735 47 K HN -0.067 nan 8.250 nan 0.000 0.451 48 I N 2.854 123.239 120.570 -0.309 0.000 2.252 48 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 48 I C 2.599 178.628 176.117 -0.147 0.000 1.102 48 I CA 1.353 62.568 61.300 -0.141 0.000 1.385 48 I CB -1.092 36.847 38.000 -0.101 0.000 1.064 48 I HN 0.445 nan 8.210 nan 0.000 0.414 49 E N 0.737 120.779 120.200 -0.264 0.000 2.058 49 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 49 E C 2.403 178.862 176.600 -0.234 0.000 0.997 49 E CA 1.447 57.655 56.400 -0.320 0.000 0.801 49 E CB -0.346 29.031 29.700 -0.537 0.000 0.746 49 E HN 0.343 nan 8.360 nan 0.000 0.450 50 F N 1.077 120.792 119.950 -0.392 0.000 2.134 50 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 50 F C 2.080 177.873 175.800 -0.011 0.000 1.097 50 F CA 1.342 59.221 58.000 -0.202 0.000 1.264 50 F CB -0.288 38.566 39.000 -0.244 0.000 1.001 50 F HN 0.159 nan 8.300 nan 0.000 0.479 51 L N 0.827 122.125 121.223 0.124 0.000 2.046 51 L HA -0.029 4.311 4.340 -0.001 0.000 0.208 51 L C 2.415 179.285 176.870 -0.000 0.000 1.077 51 L CA 2.064 56.962 54.840 0.095 0.000 0.747 51 L CB -1.412 40.763 42.059 0.193 0.000 0.896 51 L HN 0.177 nan 8.230 nan 0.000 0.432 52 A N -0.700 122.101 122.820 -0.031 0.000 1.930 52 A HA -0.011 4.309 4.320 -0.001 0.000 0.217 52 A C 2.331 179.918 177.584 0.006 0.000 1.175 52 A CA 1.347 53.376 52.037 -0.012 0.000 0.627 52 A CB -1.484 17.488 19.000 -0.048 0.000 0.815 52 A HN 0.510 nan 8.150 nan 0.000 0.443 53 G N -0.721 108.031 108.800 -0.080 0.000 2.422 53 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 53 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 53 G C 1.690 176.508 174.900 -0.136 0.000 1.146 53 G CA 0.693 45.742 45.100 -0.086 0.000 0.769 53 G HN 0.358 nan 8.290 nan 0.000 0.547 54 R N -0.358 119.992 120.500 -0.250 0.000 2.090 54 R HA 0.086 4.425 4.340 -0.001 0.000 0.228 54 R C 2.186 178.402 176.300 -0.139 0.000 1.110 54 R CA 0.447 56.393 56.100 -0.256 0.000 0.973 54 R CB -1.209 28.871 30.300 -0.366 0.000 0.869 54 R HN 0.470 nan 8.270 nan 0.000 0.440 55 F N 1.400 121.265 119.950 -0.142 0.000 2.102 55 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 55 F C 2.256 178.008 175.800 -0.080 0.000 1.105 55 F CA 1.661 59.626 58.000 -0.058 0.000 1.239 55 F CB -0.201 38.830 39.000 0.052 0.000 0.991 55 F HN 0.067 nan 8.300 nan 0.000 0.474 56 A N -0.717 122.223 122.820 0.200 0.000 1.902 56 A HA -0.177 4.142 4.320 -0.001 0.000 0.217 56 A C 2.151 179.721 177.584 -0.023 0.000 1.181 56 A CA 2.232 54.342 52.037 0.123 0.000 0.623 56 A CB -1.391 17.673 19.000 0.106 0.000 0.818 56 A HN 0.421 nan 8.150 nan 0.000 0.443 57 T N 0.216 114.716 114.554 -0.090 0.000 2.746 57 T HA -0.152 4.198 4.350 -0.001 0.000 0.267 57 T C 1.900 176.476 174.700 -0.207 0.000 1.039 57 T CA 1.869 63.891 62.100 -0.129 0.000 1.142 57 T CB -0.222 68.556 68.868 -0.150 0.000 0.866 57 T HN 0.597 nan 8.240 nan 0.000 0.444 58 K N 0.759 120.894 120.400 -0.442 0.000 2.057 58 K HA -0.048 4.272 4.320 -0.001 0.000 0.206 58 K C 2.518 178.789 176.600 -0.548 0.000 1.050 58 K CA 0.905 56.733 56.287 -0.765 0.000 0.935 58 K CB -0.038 31.425 32.500 -1.728 0.000 0.715 58 K HN 0.160 nan 8.250 nan 0.000 0.439 59 E N 0.800 120.767 120.200 -0.388 0.000 2.051 59 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 59 E C 2.104 178.702 176.600 -0.003 0.000 0.991 59 E CA 1.367 57.752 56.400 -0.025 0.000 0.799 59 E CB -0.219 29.537 29.700 0.094 0.000 0.748 59 E HN 0.321 nan 8.360 nan 0.000 0.449 60 A N 0.630 123.439 122.820 -0.018 0.000 1.902 60 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 60 A C 2.123 179.697 177.584 -0.017 0.000 1.181 60 A CA 1.328 53.361 52.037 -0.007 0.000 0.623 60 A CB -0.859 18.142 19.000 0.001 0.000 0.818 60 A HN 0.303 nan 8.150 nan 0.000 0.443 61 F N 1.420 121.275 119.950 -0.158 0.000 2.095 61 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 61 F C 2.567 178.265 175.800 -0.171 0.000 1.104 61 F CA 1.955 59.844 58.000 -0.184 0.000 1.232 61 F CB -0.423 38.445 39.000 -0.220 0.000 0.987 61 F HN 0.200 nan 8.300 nan 0.000 0.475 62 S N 0.343 116.013 115.700 -0.050 0.000 2.370 62 S HA -0.231 4.239 4.470 -0.001 0.000 0.226 62 S C 1.896 176.408 174.600 -0.146 0.000 1.033 62 S CA 1.694 59.845 58.200 -0.082 0.000 1.011 62 S CB -0.374 62.896 63.200 0.116 0.000 0.852 62 S HN 0.414 nan 8.310 nan 0.000 0.457 63 K N 0.993 121.333 120.400 -0.102 0.000 2.217 63 K HA 0.121 4.441 4.320 -0.001 0.000 0.202 63 K C 2.318 178.832 176.600 -0.144 0.000 1.051 63 K CA 0.881 57.114 56.287 -0.090 0.000 0.952 63 K CB -0.198 32.277 32.500 -0.043 0.000 0.736 63 K HN 0.332 nan 8.250 nan 0.000 0.453 64 A N 1.240 123.928 122.820 -0.219 0.000 1.897 64 A HA -0.109 4.211 4.320 -0.001 0.000 0.215 64 A C 2.053 179.472 177.584 -0.274 0.000 1.181 64 A CA 0.909 52.799 52.037 -0.246 0.000 0.620 64 A CB -0.360 18.469 19.000 -0.285 0.000 0.821 64 A HN 0.187 nan 8.150 nan 0.000 0.443 65 L N -1.046 119.898 121.223 -0.465 0.000 2.056 65 L HA 0.241 4.580 4.340 -0.001 0.000 0.207 65 L C 1.340 178.165 176.870 -0.075 0.000 1.078 65 L CA 1.755 56.344 54.840 -0.417 0.000 0.749 65 L CB -0.787 40.836 42.059 -0.725 0.000 0.901 65 L HN 0.830 nan 8.230 nan 0.000 0.433 74 A N 3.251 126.169 122.820 0.162 0.000 2.440 74 A HA 0.653 4.972 4.320 -0.001 0.000 0.251 74 A C 0.739 178.470 177.584 0.245 0.000 1.089 74 A CA 0.021 52.155 52.037 0.162 0.000 0.779 74 A CB -0.065 18.995 19.000 0.101 0.000 1.022 74 A HN 0.756 nan 8.150 nan 0.000 0.492 75 F N 1.923 121.856 119.950 -0.028 0.000 2.087 75 F HA -0.242 4.285 4.527 -0.001 0.000 0.299 75 F C 2.259 178.033 175.800 -0.045 0.000 1.100 75 F CA 2.497 60.457 58.000 -0.066 0.000 1.226 75 F CB -0.498 38.429 39.000 -0.121 0.000 0.983 75 F HN 0.789 nan 8.300 nan 0.000 0.479 76 N N -0.762 118.042 118.700 0.174 0.000 2.501 76 N HA -0.091 4.648 4.740 -0.001 0.000 0.195 76 N C 0.361 175.909 175.510 0.062 0.000 1.213 76 N CA 0.736 53.841 53.050 0.093 0.000 0.864 76 N CB -0.623 37.914 38.487 0.083 0.000 0.999 76 N HN 0.192 nan 8.380 nan 0.000 0.454 77 D N -0.046 120.394 120.400 0.067 0.000 2.398 77 D HA 0.229 4.868 4.640 -0.001 0.000 0.210 77 D C -0.081 176.228 176.300 0.015 0.000 1.094 77 D CA -0.044 53.987 54.000 0.052 0.000 0.839 77 D CB 0.832 41.680 40.800 0.081 0.000 0.963 77 D HN 0.355 nan 8.370 nan 0.000 0.506 78 I N 1.654 122.196 120.570 -0.047 0.000 2.310 78 I HA 0.109 4.278 4.170 -0.001 0.000 0.287 78 I C -0.142 175.883 176.117 -0.154 0.000 1.073 78 I CA -0.555 60.628 61.300 -0.195 0.000 1.216 78 I CB 0.771 38.553 38.000 -0.364 0.000 1.415 78 I HN -0.332 nan 8.210 nan 0.000 0.480 79 D N 5.856 126.209 120.400 -0.078 0.000 2.380 79 D HA 0.135 4.774 4.640 -0.001 0.000 0.230 79 D C -0.747 175.586 176.300 0.055 0.000 1.154 79 D CA -0.167 53.840 54.000 0.012 0.000 0.859 79 D CB 0.907 41.740 40.800 0.056 0.000 1.045 79 D HN 0.439 nan 8.370 nan 0.000 0.495 80 C N 7.019 126.328 119.300 0.014 0.000 2.246 80 C HA 0.640 5.100 4.460 -0.001 0.000 0.329 80 C C -0.757 174.305 174.990 0.120 0.000 1.221 80 C CA -0.552 58.461 59.018 -0.009 0.000 1.697 80 C CB -1.922 25.755 27.740 -0.105 0.000 2.312 80 C HN 0.560 nan 8.230 nan 0.000 0.509 81 Y N 4.372 124.682 120.300 0.018 0.000 2.659 81 Y HA 0.634 5.184 4.550 -0.000 0.000 0.333 81 Y C -0.304 175.630 175.900 0.057 0.000 1.064 81 Y CA -1.509 56.626 58.100 0.057 0.000 1.141 81 Y CB 0.723 39.210 38.460 0.045 0.000 1.316 81 Y HN 0.529 nan 8.280 nan 0.000 0.509 82 N N 1.974 120.768 118.700 0.155 0.000 2.400 82 N HA 0.150 4.890 4.740 -0.001 0.000 0.288 82 N C -1.304 174.291 175.510 0.140 0.000 1.024 82 N CA -0.538 52.541 53.050 0.048 0.000 0.894 82 N CB 1.710 40.252 38.487 0.093 0.000 1.173 82 N HN 0.845 nan 8.380 nan 0.000 0.487 86 G N 1.394 110.219 108.800 0.041 0.000 2.184 86 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.264 86 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.264 86 G C 0.484 175.401 174.900 0.030 0.000 0.975 86 G CA 0.940 46.067 45.100 0.045 0.000 0.642 86 G HN 0.383 nan 8.290 nan 0.000 0.536 87 K N 1.760 122.166 120.400 0.011 0.000 2.350 87 K HA 0.407 4.727 4.320 -0.001 0.000 0.279 87 K C -2.043 174.521 176.600 -0.059 0.000 1.027 87 K CA -1.472 54.808 56.287 -0.011 0.000 0.969 87 K CB 0.978 33.474 32.500 -0.007 0.000 0.954 87 K HN 0.122 nan 8.250 nan 0.000 0.474 88 P HA 0.178 nan 4.420 nan 0.000 0.280 88 P C -1.543 175.636 177.300 -0.201 0.000 1.244 88 P CA -0.233 62.796 63.100 -0.119 0.000 0.784 88 P CB 1.209 32.871 31.700 -0.063 0.000 0.913 89 K N 2.826 122.990 120.400 -0.394 0.000 2.502 89 K HA 0.661 4.981 4.320 -0.001 0.000 0.257 89 K C -1.468 174.858 176.600 -0.455 0.000 0.938 89 K CA -0.757 55.250 56.287 -0.467 0.000 0.819 89 K CB 1.684 33.770 32.500 -0.690 0.000 1.333 89 K HN 0.367 nan 8.250 nan 0.000 0.434 90 I N 2.166 122.616 120.570 -0.200 0.000 2.582 90 I HA 0.274 4.444 4.170 -0.001 0.000 0.292 90 I C -1.158 174.998 176.117 0.065 0.000 1.066 90 I CA -0.981 60.276 61.300 -0.071 0.000 1.053 90 I CB 2.224 40.088 38.000 -0.227 0.000 1.241 90 I HN 0.535 nan 8.210 nan 0.000 0.421 91 D N 5.061 125.563 120.400 0.170 0.000 2.233 91 D HA 0.359 4.999 4.640 -0.001 0.000 0.240 91 D C -1.380 175.055 176.300 0.224 0.000 1.074 91 D CA 0.131 54.241 54.000 0.184 0.000 0.838 91 D CB 1.888 42.787 40.800 0.165 0.000 1.124 91 D HN 0.328 nan 8.370 nan 0.000 0.475 92 Y N 0.953 121.333 120.300 0.133 0.000 2.330 92 Y HA 0.107 4.657 4.550 -0.000 0.000 0.324 92 Y C -0.211 175.791 175.900 0.169 0.000 1.093 92 Y CA -0.787 57.430 58.100 0.195 0.000 1.103 92 Y CB 1.272 39.961 38.460 0.382 0.000 1.183 92 Y HN 0.276 nan 8.280 nan 0.000 0.433 93 E N 3.596 123.669 120.200 -0.210 0.000 2.452 93 E HA 0.352 4.701 4.350 -0.001 0.000 0.261 93 E C 0.959 177.438 176.600 -0.201 0.000 0.987 93 E CA 1.627 57.910 56.400 -0.195 0.000 0.926 93 E CB 0.324 29.850 29.700 -0.289 0.000 0.934 93 E HN 1.046 nan 8.360 nan 0.000 0.452 94 G N 3.351 112.004 108.800 -0.244 0.000 2.254 94 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.225 94 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.225 94 G C -0.274 174.391 174.900 -0.390 0.000 1.003 94 G CA 0.032 44.924 45.100 -0.346 0.000 0.622 94 G HN 0.448 nan 8.290 nan 0.000 0.507 95 F N 0.632 120.708 119.950 0.209 0.000 2.620 95 F HA 0.765 5.291 4.527 -0.001 0.000 0.320 95 F C 0.135 175.997 175.800 0.104 0.000 1.069 95 F CA -1.551 56.544 58.000 0.159 0.000 0.953 95 F CB 1.333 40.417 39.000 0.141 0.000 1.322 95 F HN -0.119 nan 8.300 nan 0.000 0.479 96 I N 3.186 123.916 120.570 0.267 0.000 2.307 96 I HA 0.289 4.459 4.170 -0.001 0.000 0.289 96 I C -0.589 175.452 176.117 -0.127 0.000 1.021 96 I CA -0.591 60.724 61.300 0.024 0.000 1.224 96 I CB 0.998 38.977 38.000 -0.035 0.000 1.376 96 I HN 0.174 nan 8.210 nan 0.000 0.470 97 V N 6.559 126.407 119.914 -0.109 0.000 2.348 97 V HA 0.245 4.365 4.120 -0.001 0.000 0.270 97 V C 0.215 176.172 176.094 -0.228 0.000 1.037 97 V CA -0.583 61.672 62.300 -0.076 0.000 0.872 97 V CB 0.434 32.318 31.823 0.101 0.000 1.002 97 V HN 0.535 nan 8.190 nan 0.000 0.464 98 H N 3.637 122.739 119.070 0.054 0.000 2.489 98 H HA 0.671 5.227 4.556 -0.001 0.000 0.322 98 H C -0.577 174.757 175.328 0.010 0.000 1.091 98 H CA -0.347 55.715 56.048 0.023 0.000 1.291 98 H CB 2.133 31.907 29.762 0.021 0.000 1.436 98 H HN 0.423 nan 8.280 nan 0.000 0.480 99 V N 1.774 121.743 119.914 0.091 0.000 2.925 99 V HA 0.414 4.534 4.120 -0.001 0.000 0.311 99 V C -0.073 176.034 176.094 0.023 0.000 1.104 99 V CA -0.747 61.574 62.300 0.036 0.000 0.954 99 V CB 2.280 34.092 31.823 -0.018 0.000 1.022 99 V HN 0.771 nan 8.190 nan 0.000 0.427 100 S N 2.943 118.650 115.700 0.013 0.000 2.536 100 S HA 0.824 5.294 4.470 -0.001 0.000 0.271 100 S C -1.450 173.151 174.600 0.002 0.000 1.134 100 S CA -0.443 57.760 58.200 0.005 0.000 0.897 100 S CB 1.300 64.504 63.200 0.005 0.000 1.094 100 S HN 0.576 nan 8.310 nan 0.000 0.473 101 I N 2.541 123.113 120.570 0.003 0.000 2.608 101 I HA 0.593 4.762 4.170 -0.001 0.000 0.295 101 I C -0.333 175.792 176.117 0.013 0.000 1.049 101 I CA -0.523 60.785 61.300 0.014 0.000 1.063 101 I CB 2.252 40.264 38.000 0.020 0.000 1.248 101 I HN 0.564 nan 8.210 nan 0.000 0.424 102 S N 4.895 120.609 115.700 0.022 0.000 2.546 102 S HA 0.610 5.080 4.470 -0.001 0.000 0.274 102 S C -1.372 173.253 174.600 0.041 0.000 1.121 102 S CA -0.547 57.641 58.200 -0.020 0.000 0.887 102 S CB 1.211 64.393 63.200 -0.030 0.000 1.094 102 S HN 0.788 nan 8.310 nan 0.000 0.474 103 H N 0.247 119.323 119.070 0.011 0.000 2.961 103 H HA 0.731 5.287 4.556 -0.001 0.000 0.371 103 H C -0.817 174.519 175.328 0.014 0.000 1.190 103 H CA -0.717 55.340 56.048 0.015 0.000 1.138 103 H CB 1.354 31.110 29.762 -0.011 0.000 1.816 103 H HN 0.704 nan 8.280 nan 0.000 0.551 104 T N -1.914 112.748 114.554 0.180 0.000 2.807 104 T HA 0.168 4.518 4.350 -0.001 0.000 0.277 104 T C 1.003 175.747 174.700 0.073 0.000 1.006 104 T CA -0.526 61.641 62.100 0.111 0.000 1.006 104 T CB 2.365 71.303 68.868 0.117 0.000 1.274 104 T HN 0.780 nan 8.240 nan 0.000 0.569 105 E N -0.381 119.777 120.200 -0.070 0.000 2.085 105 E HA -0.235 4.115 4.350 -0.001 0.000 0.194 105 E C 1.423 177.820 176.600 -0.339 0.000 0.994 105 E CA 1.472 57.703 56.400 -0.282 0.000 0.801 105 E CB -0.084 29.301 29.700 -0.526 0.000 0.743 105 E HN 0.676 nan 8.360 nan 0.000 0.453 106 H N -2.403 116.660 119.070 -0.012 0.000 2.654 106 H HA 0.154 4.709 4.556 -0.001 0.000 0.264 106 H C -0.265 174.798 175.328 -0.442 0.000 0.954 106 H CA 0.346 56.269 56.048 -0.208 0.000 1.199 106 H CB 0.444 30.073 29.762 -0.223 0.000 1.446 106 H HN 0.096 nan 8.280 nan 0.000 0.516 107 Y N -0.202 120.162 120.300 0.107 0.000 2.553 107 Y HA 0.588 5.138 4.550 -0.000 0.000 0.347 107 Y C -0.295 175.645 175.900 0.068 0.000 1.019 107 Y CA -1.193 56.952 58.100 0.075 0.000 1.032 107 Y CB 1.878 40.380 38.460 0.069 0.000 1.284 107 Y HN -0.028 nan 8.280 nan 0.000 0.466 108 A N 3.390 126.336 122.820 0.209 0.000 2.374 108 A HA 0.891 5.211 4.320 -0.001 0.000 0.317 108 A C -1.210 176.461 177.584 0.145 0.000 1.094 108 A CA -0.774 51.358 52.037 0.159 0.000 0.765 108 A CB 1.649 20.702 19.000 0.089 0.000 1.268 108 A HN 0.804 nan 8.150 nan 0.000 0.438 109 M N 1.890 121.553 119.600 0.105 0.000 2.378 109 M HA 0.620 5.100 4.480 -0.001 0.000 0.289 109 M C -1.211 175.116 176.300 0.045 0.000 1.136 109 M CA -0.207 55.135 55.300 0.071 0.000 0.917 109 M CB 2.098 34.727 32.600 0.048 0.000 1.669 109 M HN 0.769 nan 8.290 nan 0.000 0.461 110 S N 2.727 118.447 115.700 0.033 0.000 2.548 110 S HA 0.549 5.018 4.470 -0.001 0.000 0.286 110 S C -1.751 172.855 174.600 0.011 0.000 1.098 110 S CA -0.522 57.687 58.200 0.014 0.000 0.930 110 S CB 2.243 65.442 63.200 -0.002 0.000 1.070 110 S HN 0.855 nan 8.310 nan 0.000 0.480 111 Q N 2.794 122.599 119.800 0.007 0.000 2.356 111 Q HA 0.723 5.063 4.340 -0.001 0.000 0.270 111 Q C -1.932 174.078 176.000 0.017 0.000 1.058 111 Q CA -0.701 55.107 55.803 0.007 0.000 0.802 111 Q CB 1.921 30.662 28.738 0.005 0.000 1.303 111 Q HN 0.566 nan 8.270 nan 0.000 0.444 112 V N 3.290 123.213 119.914 0.016 0.000 2.638 112 V HA 0.505 4.625 4.120 -0.001 0.000 0.306 112 V C -0.890 175.215 176.094 0.019 0.000 1.052 112 V CA -0.706 61.614 62.300 0.033 0.000 0.885 112 V CB 2.137 33.985 31.823 0.042 0.000 0.999 112 V HN 0.614 nan 8.190 nan 0.000 0.424 113 V N 5.872 125.826 119.914 0.067 0.000 2.444 113 V HA 0.460 4.579 4.120 -0.001 0.000 0.294 113 V C -0.348 175.803 176.094 0.095 0.000 1.022 113 V CA -0.481 61.862 62.300 0.073 0.000 0.850 113 V CB 1.824 33.706 31.823 0.100 0.000 0.992 113 V HN 0.654 nan 8.190 nan 0.000 0.426 114 L N 4.668 125.881 121.223 -0.016 0.000 2.268 114 L HA 0.483 4.823 4.340 -0.001 0.000 0.289 114 L C 0.446 177.382 176.870 0.111 0.000 1.064 114 L CA -0.008 54.777 54.840 -0.092 0.000 0.824 114 L CB 0.914 42.670 42.059 -0.505 0.000 1.202 114 L HN 0.690 nan 8.230 nan 0.000 0.433 115 E N 4.367 124.705 120.200 0.230 0.000 2.249 115 E HA 0.215 4.564 4.350 -0.001 0.000 0.280 115 E C -0.695 176.122 176.600 0.362 0.000 1.016 115 E CA -0.744 55.825 56.400 0.281 0.000 0.830 115 E CB 1.009 30.907 29.700 0.331 0.000 1.081 115 E HN 0.383 nan 8.360 nan 0.000 0.395 116 K N 2.241 122.825 120.400 0.306 0.000 2.276 116 K HA 0.095 4.414 4.320 -0.001 0.000 0.283 116 K C -0.173 176.497 176.600 0.117 0.000 1.044 116 K CA -0.262 56.176 56.287 0.252 0.000 0.944 116 K CB 1.324 33.924 32.500 0.167 0.000 1.012 116 K HN 0.338 nan 8.250 nan 0.000 0.472 117 S N 1.984 117.745 115.700 0.102 0.000 2.528 117 S HA 0.194 4.664 4.470 -0.001 0.000 0.277 117 S C 0.237 174.783 174.600 -0.090 0.000 1.297 117 S CA -0.806 57.459 58.200 0.109 0.000 1.052 117 S CB 0.535 63.901 63.200 0.277 0.000 0.917 117 S HN 0.635 nan 8.310 nan 0.000 0.492 118 A N 6.623 129.410 122.820 -0.054 0.000 3.048 118 A HA 0.416 4.735 4.320 -0.001 0.000 0.264 118 A C 0.439 178.009 177.584 -0.022 0.000 1.796 118 A CA -0.561 51.397 52.037 -0.131 0.000 1.445 118 A CB -1.252 17.718 19.000 -0.052 0.000 1.074 118 A HN 0.743 nan 8.150 nan 0.000 0.621 119 F N 0.000 119.937 119.950 -0.021 0.000 2.286 119 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 119 F CA 0.000 57.983 58.000 -0.028 0.000 1.383 119 F CB 0.000 38.975 39.000 -0.041 0.000 1.145 119 F HN 0.000 nan 8.300 nan 0.000 0.574