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 2wb6_1_A DATA FIRST_RESID -19 DATA SEQUENCE LESTSLYKKA GSENLYFQGX XIVDKNKIVI PMSEFLDSMF LVIEKLGVHA DATA SEQUENCE EKKGSMIFLS SERVKLADWK QLGAMcSDCY HcKLPLSSFI EIVTRKAKDK DATA SEQUENCE FLVMYNEKEV TLVARG 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 -19 L HA 0.000 nan 4.340 nan 0.000 0.249 -19 L C 0.000 176.889 176.870 0.032 0.000 1.165 -19 L CA 0.000 54.855 54.840 0.026 0.000 0.813 -19 L CB 0.000 42.075 42.059 0.026 0.000 0.961 -18 E N 0.357 120.564 120.200 0.012 0.000 2.130 -18 E HA 0.343 4.692 4.350 -0.001 0.000 0.284 -18 E C 1.190 177.796 176.600 0.010 0.000 1.018 -18 E CA 0.596 56.999 56.400 0.004 0.000 0.817 -18 E CB 1.562 31.241 29.700 -0.035 0.000 1.078 -18 E HN 0.312 nan 8.360 nan 0.000 0.396 -17 S N 1.599 117.348 115.700 0.081 0.000 2.423 -17 S HA -0.174 4.295 4.470 -0.001 0.000 0.231 -17 S C 1.755 176.401 174.600 0.077 0.000 1.014 -17 S CA 1.507 59.786 58.200 0.132 0.000 0.965 -17 S CB -0.445 62.941 63.200 0.310 0.000 0.785 -17 S HN 0.538 nan 8.310 nan 0.000 0.495 -16 T N 0.984 115.487 114.554 -0.085 0.000 2.962 -16 T HA -0.088 4.261 4.350 -0.001 0.000 0.270 -16 T C 2.010 176.693 174.700 -0.028 0.000 1.088 -16 T CA 1.332 63.330 62.100 -0.171 0.000 1.127 -16 T CB -0.939 67.562 68.868 -0.612 0.000 0.883 -16 T HN 0.652 nan 8.240 nan 0.000 0.493 -15 S N 1.957 117.616 115.700 -0.068 0.000 2.423 -15 S HA 0.044 4.514 4.470 -0.001 0.000 0.231 -15 S C 2.001 176.566 174.600 -0.058 0.000 1.014 -15 S CA 0.496 58.667 58.200 -0.049 0.000 0.965 -15 S CB -0.989 62.183 63.200 -0.047 0.000 0.785 -15 S HN 0.575 nan 8.310 nan 0.000 0.495 -14 L N -0.580 120.566 121.223 -0.128 0.000 2.353 -14 L HA -0.049 4.290 4.340 -0.001 0.000 0.220 -14 L C 2.121 178.827 176.870 -0.273 0.000 1.133 -14 L CA 1.175 55.884 54.840 -0.218 0.000 0.798 -14 L CB -0.703 41.171 42.059 -0.308 0.000 0.922 -14 L HN 0.347 nan 8.230 nan 0.000 0.445 -13 Y N 0.222 120.505 120.300 -0.029 0.000 2.337 -13 Y HA -0.112 4.440 4.550 0.003 0.000 0.293 -13 Y C 2.382 178.264 175.900 -0.030 0.000 1.123 -13 Y CA 0.698 58.776 58.100 -0.036 0.000 1.201 -13 Y CB -0.123 38.295 38.460 -0.070 0.000 1.011 -13 Y HN 0.066 nan 8.280 nan 0.000 0.545 -12 K N 0.446 120.894 120.400 0.080 0.000 2.442 -12 K HA -0.106 4.214 4.320 -0.001 0.000 0.198 -12 K C 1.280 177.896 176.600 0.026 0.000 1.042 -12 K CA 1.183 57.497 56.287 0.044 0.000 0.958 -12 K CB -0.064 32.446 32.500 0.016 0.000 0.766 -12 K HN 0.385 nan 8.250 nan 0.000 0.474 -11 K N 0.095 120.499 120.400 0.007 0.000 2.365 -11 K HA 0.192 4.511 4.320 -0.001 0.000 0.195 -11 K C 0.462 177.060 176.600 -0.004 0.000 1.079 -11 K CA -0.023 56.260 56.287 -0.006 0.000 0.979 -11 K CB 0.740 33.223 32.500 -0.028 0.000 0.929 -11 K HN -0.034 nan 8.250 nan 0.000 0.523 -10 A N 2.101 124.920 122.820 -0.001 0.000 2.362 -10 A HA 0.499 4.818 4.320 -0.001 0.000 0.276 -10 A C 0.517 178.127 177.584 0.044 0.000 1.153 -10 A CA -0.253 51.788 52.037 0.006 0.000 0.813 -10 A CB 0.284 19.279 19.000 -0.008 0.000 1.081 -10 A HN 0.252 nan 8.150 nan 0.000 0.507 -9 G N 0.495 109.315 108.800 0.034 0.000 2.634 -9 G HA2 0.361 4.320 3.960 -0.001 0.000 0.255 -9 G HA3 0.361 4.320 3.960 -0.001 0.000 0.255 -9 G C 0.790 175.743 174.900 0.089 0.000 1.205 -9 G CA 0.020 45.151 45.100 0.052 0.000 0.884 -9 G HN 0.694 nan 8.290 nan 0.000 0.549 -8 S N -0.491 115.290 115.700 0.134 0.000 2.660 -8 S HA -0.012 4.457 4.470 -0.001 0.000 0.223 -8 S C 1.888 176.647 174.600 0.264 0.000 0.963 -8 S CA 0.381 58.711 58.200 0.217 0.000 0.932 -8 S CB -0.151 63.253 63.200 0.340 0.000 0.775 -8 S HN 0.691 nan 8.310 nan 0.000 0.531 -7 E N 1.904 122.174 120.200 0.116 0.000 2.118 -7 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 -7 E C 1.535 178.234 176.600 0.166 0.000 0.992 -7 E CA 1.177 57.628 56.400 0.084 0.000 0.804 -7 E CB -0.233 29.468 29.700 0.002 0.000 0.741 -7 E HN 0.450 nan 8.360 nan 0.000 0.458 -6 N N 1.145 119.915 118.700 0.116 0.000 2.018 -6 N HA -0.182 4.557 4.740 -0.001 0.000 0.196 -6 N C 1.957 177.568 175.510 0.168 0.000 1.043 -6 N CA 1.168 54.280 53.050 0.104 0.000 0.856 -6 N CB -0.551 37.963 38.487 0.044 0.000 1.042 -6 N HN 0.172 nan 8.380 nan 0.000 0.423 -5 L N -0.895 120.423 121.223 0.157 0.000 2.093 -5 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 -5 L C 2.046 178.988 176.870 0.119 0.000 1.085 -5 L CA 0.986 55.899 54.840 0.121 0.000 0.755 -5 L CB -0.611 41.492 42.059 0.074 0.000 0.904 -5 L HN 0.118 nan 8.230 nan 0.000 0.435 -4 Y N -0.545 119.797 120.300 0.070 0.000 2.128 -4 Y HA -0.310 4.239 4.550 -0.002 0.000 0.284 -4 Y C 2.493 178.463 175.900 0.117 0.000 1.154 -4 Y CA 2.050 60.198 58.100 0.080 0.000 1.149 -4 Y CB -0.627 37.893 38.460 0.100 0.000 0.976 -4 Y HN 0.007 nan 8.280 nan 0.000 0.505 -3 F N 0.360 120.411 119.950 0.169 0.000 2.186 -3 F HA -0.199 4.328 4.527 0.000 0.000 0.299 -3 F C 2.185 178.019 175.800 0.057 0.000 1.090 -3 F CA 1.423 59.481 58.000 0.098 0.000 1.307 -3 F CB -0.126 38.918 39.000 0.072 0.000 1.019 -3 F HN 0.014 nan 8.300 nan 0.000 0.489 -2 Q N 0.147 120.064 119.800 0.195 0.000 2.331 -2 Q HA 0.166 4.505 4.340 -0.001 0.000 0.203 -2 Q C 1.204 177.213 176.000 0.014 0.000 0.944 -2 Q CA 0.760 56.619 55.803 0.094 0.000 0.892 -2 Q CB -0.357 28.457 28.738 0.127 0.000 0.983 -2 Q HN 0.397 nan 8.270 nan 0.000 0.482 3 V N 5.556 125.425 119.914 -0.075 0.000 2.350 3 V HA 0.495 4.614 4.120 -0.001 0.000 0.276 3 V C 0.113 176.190 176.094 -0.028 0.000 1.028 3 V CA -0.285 61.963 62.300 -0.087 0.000 0.860 3 V CB 1.731 33.524 31.823 -0.050 0.000 0.990 3 V HN 0.584 nan 8.190 nan 0.000 0.453 4 D N 2.670 123.055 120.400 -0.024 0.000 2.449 4 D HA 0.280 4.919 4.640 -0.001 0.000 0.250 4 D C 0.909 177.233 176.300 0.040 0.000 1.050 4 D CA -0.724 53.281 54.000 0.009 0.000 1.024 4 D CB 2.048 42.849 40.800 0.003 0.000 1.218 4 D HN 0.362 nan 8.370 nan 0.000 0.566 5 K N 0.134 120.560 120.400 0.043 0.000 2.032 5 K HA -0.155 4.164 4.320 -0.001 0.000 0.209 5 K C 0.705 177.348 176.600 0.072 0.000 1.048 5 K CA 1.669 57.991 56.287 0.058 0.000 0.927 5 K CB 0.020 32.545 32.500 0.041 0.000 0.712 5 K HN 0.268 nan 8.250 nan 0.000 0.441 6 N N -0.213 118.523 118.700 0.060 0.000 2.200 6 N HA 0.044 4.783 4.740 -0.001 0.000 0.224 6 N C -1.232 174.341 175.510 0.104 0.000 1.179 6 N CA -0.304 52.792 53.050 0.077 0.000 0.877 6 N CB 0.879 39.394 38.487 0.047 0.000 1.072 6 N HN 0.155 nan 8.380 nan 0.000 0.519 7 K N -0.095 120.350 120.400 0.076 0.000 2.555 7 K HA 0.518 4.837 4.320 -0.001 0.000 0.279 7 K C -1.744 174.824 176.600 -0.053 0.000 0.986 7 K CA -0.760 55.553 56.287 0.045 0.000 0.880 7 K CB 1.683 34.193 32.500 0.015 0.000 1.474 7 K HN -0.170 nan 8.250 nan 0.000 0.433 8 I N 1.585 122.067 120.570 -0.147 0.000 2.498 8 I HA 0.341 4.510 4.170 -0.001 0.000 0.290 8 I C -1.133 174.885 176.117 -0.165 0.000 1.032 8 I CA -1.277 59.885 61.300 -0.231 0.000 1.073 8 I CB 2.332 40.063 38.000 -0.449 0.000 1.251 8 I HN 0.321 nan 8.210 nan 0.000 0.426 9 V N 7.119 126.963 119.914 -0.118 0.000 2.409 9 V HA 0.494 4.613 4.120 -0.001 0.000 0.291 9 V C -0.372 175.683 176.094 -0.064 0.000 1.020 9 V CA -0.442 61.807 62.300 -0.084 0.000 0.848 9 V CB 1.738 33.525 31.823 -0.060 0.000 0.990 9 V HN 0.428 nan 8.190 nan 0.000 0.430 10 I N 7.139 127.680 120.570 -0.048 0.000 2.406 10 I HA 0.487 4.657 4.170 -0.001 0.000 0.290 10 I C -2.492 173.629 176.117 0.008 0.000 0.999 10 I CA -2.135 59.170 61.300 0.008 0.000 1.124 10 I CB 1.904 39.969 38.000 0.108 0.000 1.289 10 I HN 0.404 nan 8.210 nan 0.000 0.441 11 P HA 0.091 nan 4.420 nan 0.000 0.269 11 P C 0.658 177.981 177.300 0.039 0.000 1.209 11 P CA -0.377 62.731 63.100 0.013 0.000 0.776 11 P CB 0.569 32.277 31.700 0.014 0.000 0.876 12 M N 3.461 123.071 119.600 0.015 0.000 2.108 12 M HA -0.189 4.290 4.480 -0.001 0.000 0.261 12 M C 1.770 178.104 176.300 0.058 0.000 1.066 12 M CA 2.324 57.641 55.300 0.028 0.000 1.107 12 M CB -1.273 31.325 32.600 -0.003 0.000 1.356 12 M HN 0.395 nan 8.290 nan 0.000 0.406 13 S N -1.034 114.684 115.700 0.030 0.000 2.368 13 S HA -0.122 4.347 4.470 -0.001 0.000 0.224 13 S C 1.810 176.410 174.600 0.000 0.000 1.029 13 S CA 1.342 59.548 58.200 0.009 0.000 0.988 13 S CB -0.683 62.527 63.200 0.017 0.000 0.838 13 S HN 0.533 nan 8.310 nan 0.000 0.462 14 E N 1.079 121.298 120.200 0.031 0.000 2.077 14 E HA 0.023 4.372 4.350 -0.001 0.000 0.193 14 E C 1.595 178.216 176.600 0.034 0.000 0.989 14 E CA 1.116 57.536 56.400 0.033 0.000 0.800 14 E CB -0.584 29.146 29.700 0.050 0.000 0.746 14 E HN 0.639 nan 8.360 nan 0.000 0.452 15 F N 0.778 120.685 119.950 -0.071 0.000 2.069 15 F HA -0.212 4.315 4.527 0.001 0.000 0.298 15 F C 1.758 177.470 175.800 -0.147 0.000 1.113 15 F CA 1.493 59.446 58.000 -0.079 0.000 1.214 15 F CB -0.165 38.790 39.000 -0.074 0.000 0.978 15 F HN -0.034 nan 8.300 nan 0.000 0.474 16 L N -0.121 121.035 121.223 -0.112 0.000 2.056 16 L HA -0.209 4.130 4.340 -0.001 0.000 0.207 16 L C 2.226 178.565 176.870 -0.886 0.000 1.078 16 L CA 1.330 55.800 54.840 -0.617 0.000 0.749 16 L CB -0.912 40.749 42.059 -0.663 0.000 0.901 16 L HN 0.100 nan 8.230 nan 0.000 0.433 17 D N -0.099 120.044 120.400 -0.428 0.000 2.116 17 D HA -0.174 4.465 4.640 -0.001 0.000 0.193 17 D C 2.373 178.611 176.300 -0.104 0.000 0.998 17 D CA 1.661 55.555 54.000 -0.177 0.000 0.836 17 D CB -0.123 40.652 40.800 -0.042 0.000 0.951 17 D HN 0.176 nan 8.370 nan 0.000 0.449 18 S N 0.034 115.653 115.700 -0.136 0.000 2.368 18 S HA -0.101 4.368 4.470 -0.001 0.000 0.225 18 S C 1.969 176.535 174.600 -0.057 0.000 1.030 18 S CA 0.823 58.972 58.200 -0.084 0.000 0.999 18 S CB -0.043 63.096 63.200 -0.103 0.000 0.844 18 S HN 0.233 nan 8.310 nan 0.000 0.459 19 M N 0.408 119.908 119.600 -0.167 0.000 2.175 19 M HA 0.061 4.540 4.480 -0.001 0.000 0.264 19 M C 1.657 178.206 176.300 0.414 0.000 1.063 19 M CA 1.156 56.506 55.300 0.084 0.000 1.119 19 M CB -1.415 31.120 32.600 -0.109 0.000 1.377 19 M HN 0.234 nan 8.290 nan 0.000 0.415 20 F N 0.547 120.597 119.950 0.167 0.000 2.134 20 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 20 F C 2.364 178.209 175.800 0.075 0.000 1.097 20 F CA 0.735 58.800 58.000 0.108 0.000 1.264 20 F CB -1.612 37.365 39.000 -0.038 0.000 1.001 20 F HN 0.073 nan 8.300 nan 0.000 0.479 21 L N -0.131 121.236 121.223 0.241 0.000 2.131 21 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 21 L C 2.309 179.231 176.870 0.087 0.000 1.092 21 L CA 1.160 56.078 54.840 0.130 0.000 0.759 21 L CB -0.862 41.245 42.059 0.079 0.000 0.903 21 L HN -0.057 nan 8.230 nan 0.000 0.435 22 V N 0.570 120.534 119.914 0.084 0.000 2.282 22 V HA -0.320 3.799 4.120 -0.001 0.000 0.249 22 V C 2.267 178.324 176.094 -0.061 0.000 1.057 22 V CA 2.382 64.660 62.300 -0.037 0.000 1.032 22 V CB -0.707 31.011 31.823 -0.176 0.000 0.645 22 V HN 0.657 nan 8.190 nan 0.000 0.447 23 I N -2.321 118.269 120.570 0.033 0.000 3.728 23 I HA 0.112 4.281 4.170 -0.001 0.000 0.307 23 I C 2.094 178.251 176.117 0.067 0.000 1.276 23 I CA 0.831 62.163 61.300 0.053 0.000 1.285 23 I CB -0.485 37.639 38.000 0.207 0.000 1.038 23 I HN 0.259 nan 8.210 nan 0.000 0.445 24 E N 2.998 123.238 120.200 0.067 0.000 2.267 24 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 24 E C 2.074 178.699 176.600 0.040 0.000 0.998 24 E CA 1.686 58.122 56.400 0.060 0.000 0.830 24 E CB 0.055 29.796 29.700 0.068 0.000 0.751 24 E HN 0.753 nan 8.360 nan 0.000 0.491 25 K N -0.106 120.308 120.400 0.023 0.000 2.296 25 K HA -0.058 4.262 4.320 -0.001 0.000 0.200 25 K C 1.429 178.038 176.600 0.016 0.000 1.048 25 K CA 0.861 57.155 56.287 0.012 0.000 0.966 25 K CB 0.062 32.559 32.500 -0.005 0.000 0.754 25 K HN 0.144 nan 8.250 nan 0.000 0.466 26 L N 1.143 122.382 121.223 0.027 0.000 2.728 26 L HA 0.265 4.604 4.340 -0.001 0.000 0.235 26 L C 0.535 177.433 176.870 0.047 0.000 1.197 26 L CA 0.236 55.099 54.840 0.038 0.000 0.992 26 L CB -0.027 42.063 42.059 0.052 0.000 1.263 26 L HN 0.675 nan 8.230 nan 0.000 0.484 27 G N 0.335 109.158 108.800 0.039 0.000 2.168 27 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.257 27 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.257 27 G C 0.170 175.097 174.900 0.046 0.000 0.997 27 G CA 0.172 45.292 45.100 0.034 0.000 0.708 27 G HN 0.174 nan 8.290 nan 0.000 0.520 28 V N 1.972 121.923 119.914 0.062 0.000 2.385 28 V HA 0.370 4.489 4.120 -0.001 0.000 0.269 28 V C 0.751 176.868 176.094 0.039 0.000 1.043 28 V CA -0.888 61.444 62.300 0.052 0.000 0.906 28 V CB 1.395 33.264 31.823 0.075 0.000 0.995 28 V HN 0.434 nan 8.190 nan 0.000 0.467 29 H N 4.162 123.181 119.070 -0.085 0.000 2.487 29 H HA 0.736 5.290 4.556 -0.003 0.000 0.333 29 H C -0.441 174.742 175.328 -0.241 0.000 1.114 29 H CA -0.199 55.773 56.048 -0.127 0.000 1.310 29 H CB 1.843 31.543 29.762 -0.104 0.000 1.462 29 H HN 0.745 nan 8.280 nan 0.000 0.516 30 A N 4.261 126.467 122.820 -1.024 0.000 2.449 30 A HA 0.467 4.787 4.320 -0.001 0.000 0.302 30 A C -0.984 175.718 177.584 -1.471 0.000 1.048 30 A CA -0.702 50.624 52.037 -1.184 0.000 0.708 30 A CB 1.998 20.167 19.000 -1.385 0.000 1.274 30 A HN 0.830 nan 8.150 nan 0.000 0.410 31 E N 1.053 120.649 120.200 -1.007 0.000 2.366 31 E HA 0.461 4.810 4.350 -0.001 0.000 0.278 31 E C -1.375 175.136 176.600 -0.148 0.000 0.923 31 E CA -0.637 55.464 56.400 -0.498 0.000 0.761 31 E CB 1.704 31.292 29.700 -0.186 0.000 1.231 31 E HN 0.605 nan 8.360 nan 0.000 0.443 32 K N 2.836 123.296 120.400 0.100 0.000 2.182 32 K HA 0.429 4.748 4.320 -0.001 0.000 0.262 32 K C -1.341 175.361 176.600 0.170 0.000 0.957 32 K CA -0.649 55.744 56.287 0.176 0.000 0.842 32 K CB 1.207 33.824 32.500 0.195 0.000 1.099 32 K HN 0.271 nan 8.250 nan 0.000 0.438 33 K N 2.752 123.307 120.400 0.257 0.000 2.615 33 K HA 0.386 4.705 4.320 -0.001 0.000 0.249 33 K C -0.253 176.471 176.600 0.206 0.000 0.977 33 K CA 0.419 56.816 56.287 0.183 0.000 0.833 33 K CB 1.398 33.940 32.500 0.070 0.000 1.208 33 K HN 0.809 nan 8.250 nan 0.000 0.443 34 G N 1.854 110.722 108.800 0.115 0.000 2.536 34 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.280 34 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.280 34 G C 0.118 175.063 174.900 0.075 0.000 1.152 34 G CA 0.215 45.369 45.100 0.090 0.000 0.970 34 G HN 0.588 nan 8.290 nan 0.000 0.549 35 S N 1.002 116.738 115.700 0.060 0.000 2.588 35 S HA 0.499 4.968 4.470 -0.001 0.000 0.245 35 S C 0.322 174.924 174.600 0.003 0.000 1.021 35 S CA -0.059 58.162 58.200 0.035 0.000 1.006 35 S CB -0.000 63.219 63.200 0.033 0.000 0.830 35 S HN 0.403 nan 8.310 nan 0.000 0.468 36 M N 1.808 121.406 119.600 -0.004 0.000 2.528 36 M HA 0.537 5.016 4.480 -0.001 0.000 0.321 36 M C -0.894 175.281 176.300 -0.209 0.000 1.153 36 M CA -0.659 54.540 55.300 -0.168 0.000 0.951 36 M CB 1.420 33.821 32.600 -0.331 0.000 1.705 36 M HN -0.065 nan 8.290 nan 0.000 0.451 37 I N 2.581 122.935 120.570 -0.359 0.000 2.377 37 I HA 0.421 4.591 4.170 -0.001 0.000 0.293 37 I C -0.851 174.924 176.117 -0.569 0.000 0.987 37 I CA -0.520 60.562 61.300 -0.363 0.000 1.185 37 I CB 0.681 38.413 38.000 -0.446 0.000 1.341 37 I HN 0.488 nan 8.210 nan 0.000 0.455 38 F N 6.242 126.025 119.950 -0.278 0.000 2.444 38 F HA 0.548 5.073 4.527 -0.003 0.000 0.342 38 F C 0.077 175.691 175.800 -0.310 0.000 1.121 38 F CA -0.563 57.307 58.000 -0.217 0.000 0.997 38 F CB 1.400 40.322 39.000 -0.131 0.000 1.130 38 F HN 0.111 nan 8.300 nan 0.000 0.454 39 L N 3.262 124.398 121.223 -0.145 0.000 2.346 39 L HA 0.761 5.100 4.340 -0.001 0.000 0.274 39 L C -0.451 176.372 176.870 -0.079 0.000 1.007 39 L CA -0.640 54.064 54.840 -0.227 0.000 0.818 39 L CB 2.171 43.974 42.059 -0.426 0.000 1.284 39 L HN 0.706 nan 8.230 nan 0.000 0.424 40 S N 0.595 116.257 115.700 -0.065 0.000 2.556 40 S HA 0.732 5.201 4.470 -0.001 0.000 0.271 40 S C -0.971 173.578 174.600 -0.086 0.000 1.135 40 S CA -0.765 57.364 58.200 -0.117 0.000 0.858 40 S CB 2.105 65.295 63.200 -0.017 0.000 1.114 40 S HN 0.529 nan 8.310 nan 0.000 0.468 41 S N 0.220 115.843 115.700 -0.129 0.000 2.548 41 S HA 0.442 4.911 4.470 -0.001 0.000 0.276 41 S C 0.033 174.573 174.600 -0.100 0.000 1.129 41 S CA -0.631 57.554 58.200 -0.025 0.000 0.931 41 S CB 1.599 64.859 63.200 0.099 0.000 1.068 41 S HN 0.787 nan 8.310 nan 0.000 0.480 42 E N 2.758 122.899 120.200 -0.098 0.000 2.170 42 E HA 0.087 4.436 4.350 -0.001 0.000 0.191 42 E C 1.681 178.161 176.600 -0.199 0.000 0.981 42 E CA 0.553 56.850 56.400 -0.172 0.000 0.830 42 E CB 0.255 29.891 29.700 -0.106 0.000 0.775 42 E HN 0.578 nan 8.360 nan 0.000 0.470 43 R N 0.410 120.872 120.500 -0.064 0.000 2.013 43 R HA 0.214 4.553 4.340 -0.001 0.000 0.198 43 R C 0.432 176.818 176.300 0.143 0.000 1.407 43 R CA -0.063 56.036 56.100 -0.001 0.000 1.140 43 R CB -0.182 30.128 30.300 0.017 0.000 1.011 43 R HN -0.115 nan 8.270 nan 0.000 0.472 44 V N 3.546 123.553 119.914 0.154 0.000 2.637 44 V HA 0.028 4.147 4.120 -0.001 0.000 0.296 44 V C 0.365 176.615 176.094 0.260 0.000 1.046 44 V CA -0.011 62.399 62.300 0.183 0.000 1.066 44 V CB 0.817 32.720 31.823 0.133 0.000 0.968 44 V HN 0.229 nan 8.190 nan 0.000 0.483 45 K N 3.658 124.157 120.400 0.164 0.000 2.319 45 K HA 0.307 4.626 4.320 -0.001 0.000 0.265 45 K C 0.234 176.861 176.600 0.044 0.000 1.000 45 K CA -0.187 56.072 56.287 -0.047 0.000 0.943 45 K CB 0.432 32.860 32.500 -0.119 0.000 0.950 45 K HN 0.519 nan 8.250 nan 0.000 0.485 46 L N 2.363 123.594 121.223 0.013 0.000 2.984 46 L HA 0.167 4.506 4.340 -0.001 0.000 0.246 46 L C 1.313 178.283 176.870 0.167 0.000 1.268 46 L CA -0.235 54.717 54.840 0.187 0.000 1.054 46 L CB 0.190 42.346 42.059 0.160 0.000 1.393 46 L HN 0.777 nan 8.230 nan 0.000 0.532 47 A N 0.766 123.625 122.820 0.065 0.000 1.972 47 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 47 A C 2.007 179.618 177.584 0.044 0.000 1.169 47 A CA 1.965 54.024 52.037 0.038 0.000 0.635 47 A CB -0.224 18.776 19.000 -0.001 0.000 0.810 47 A HN 0.613 nan 8.150 nan 0.000 0.446 48 D N -1.219 119.195 120.400 0.024 0.000 2.117 48 D HA -0.213 4.426 4.640 -0.001 0.000 0.198 48 D C 1.704 177.949 176.300 -0.092 0.000 0.982 48 D CA 1.064 55.017 54.000 -0.078 0.000 0.828 48 D CB -0.913 39.781 40.800 -0.178 0.000 0.967 48 D HN 0.670 nan 8.370 nan 0.000 0.464 49 W N 1.583 122.901 121.300 0.030 0.000 2.358 49 W HA 0.015 4.671 4.660 -0.007 0.000 0.303 49 W C 2.746 179.279 176.519 0.022 0.000 1.208 49 W CA 0.969 58.337 57.345 0.038 0.000 1.274 49 W CB -0.173 29.321 29.460 0.058 0.000 1.138 49 W HN -0.023 nan 8.180 nan 0.000 0.515 50 K N 0.548 121.087 120.400 0.231 0.000 2.026 50 K HA -0.292 4.028 4.320 -0.001 0.000 0.208 50 K C 2.101 178.748 176.600 0.078 0.000 1.048 50 K CA 1.908 58.272 56.287 0.129 0.000 0.929 50 K CB -0.323 32.227 32.500 0.084 0.000 0.713 50 K HN 0.025 nan 8.250 nan 0.000 0.439 51 Q N 0.858 120.686 119.800 0.048 0.000 2.197 51 Q HA -0.110 4.229 4.340 -0.001 0.000 0.207 51 Q C 1.535 177.542 176.000 0.011 0.000 0.984 51 Q CA 1.522 57.334 55.803 0.015 0.000 0.869 51 Q CB -0.042 28.689 28.738 -0.011 0.000 0.906 51 Q HN 0.404 nan 8.270 nan 0.000 0.426 52 L N -1.726 119.506 121.223 0.016 0.000 2.611 52 L HA 0.295 4.634 4.340 -0.001 0.000 0.229 52 L C 1.067 177.972 176.870 0.058 0.000 1.137 52 L CA 0.437 55.282 54.840 0.009 0.000 0.901 52 L CB 0.211 42.243 42.059 -0.045 0.000 1.098 52 L HN 0.507 nan 8.230 nan 0.000 0.456 53 G N -0.706 108.140 108.800 0.076 0.000 2.260 53 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.179 53 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.179 53 G C 0.390 175.344 174.900 0.091 0.000 1.002 53 G CA -0.220 44.925 45.100 0.075 0.000 0.677 53 G HN 0.369 nan 8.290 nan 0.000 0.486 54 A N 1.563 124.466 122.820 0.138 0.000 2.425 54 A HA 0.651 4.970 4.320 -0.001 0.000 0.242 54 A C 0.724 178.349 177.584 0.068 0.000 1.077 54 A CA 0.476 52.584 52.037 0.119 0.000 0.781 54 A CB 0.107 19.219 19.000 0.187 0.000 1.020 54 A HN 0.384 nan 8.150 nan 0.000 0.494 55 M N 1.741 121.358 119.600 0.029 0.000 2.063 55 M HA 0.241 4.721 4.480 -0.001 0.000 0.348 55 M C -0.981 175.336 176.300 0.028 0.000 1.180 55 M CA -0.012 55.302 55.300 0.022 0.000 1.059 55 M CB -0.073 32.529 32.600 0.004 0.000 1.544 55 M HN 0.607 nan 8.290 nan 0.000 0.447 56 c N 1.763 120.389 118.600 0.044 0.000 2.382 56 c HA 0.476 5.046 4.570 -0.001 0.000 0.327 56 c C 1.804 175.929 174.090 0.060 0.000 1.250 56 c CA -0.562 55.802 56.329 0.058 0.000 1.707 56 c CB 1.395 43.939 42.510 0.056 0.000 2.272 56 c HN 0.980 nan 8.230 nan 0.000 0.506 57 S N 0.608 116.358 115.700 0.083 0.000 2.458 57 S HA 0.077 4.546 4.470 -0.001 0.000 0.223 57 S C 0.142 174.787 174.600 0.075 0.000 1.019 57 S CA 0.753 58.994 58.200 0.067 0.000 0.937 57 S CB -0.205 63.027 63.200 0.053 0.000 0.788 57 S HN 0.927 nan 8.310 nan 0.000 0.511 58 D N -1.310 119.157 120.400 0.112 0.000 2.838 58 D HA 0.299 4.939 4.640 -0.001 0.000 0.334 58 D C 0.229 176.538 176.300 0.014 0.000 1.315 58 D CA -0.631 53.420 54.000 0.084 0.000 0.917 58 D CB 0.337 41.227 40.800 0.149 0.000 1.435 58 D HN -0.029 nan 8.370 nan 0.000 0.517 59 C N -0.934 118.281 119.300 -0.143 0.000 2.430 59 C HA -0.007 4.453 4.460 -0.001 0.000 0.288 59 C C 0.903 175.570 174.990 -0.537 0.000 1.448 59 C CA 0.489 59.261 59.018 -0.409 0.000 1.784 59 C CB -1.595 25.720 27.740 -0.709 0.000 1.776 59 C HN 0.425 nan 8.230 nan 0.000 0.547 60 Y N -2.146 118.166 120.300 0.021 0.000 2.527 60 Y HA 0.270 4.820 4.550 -0.000 0.000 0.247 60 Y C 0.345 175.976 175.900 -0.448 0.000 1.138 60 Y CA -0.192 57.809 58.100 -0.166 0.000 1.228 60 Y CB -0.187 38.155 38.460 -0.198 0.000 1.252 60 Y HN 0.396 nan 8.280 nan 0.000 0.531 61 H N -1.261 117.878 119.070 0.114 0.000 2.934 61 H HA 0.631 5.188 4.556 0.002 0.000 0.340 61 H C -1.151 174.199 175.328 0.037 0.000 1.008 61 H CA -1.000 55.095 56.048 0.079 0.000 1.317 61 H CB 1.177 30.992 29.762 0.089 0.000 1.670 61 H HN 0.019 nan 8.280 nan 0.000 0.516 62 c N 2.215 120.868 118.600 0.088 0.000 3.090 62 c HA 0.678 5.247 4.570 -0.001 0.000 0.305 62 c C -1.103 172.949 174.090 -0.063 0.000 1.292 62 c CA -1.141 55.199 56.329 0.018 0.000 1.482 62 c CB 2.003 44.506 42.510 -0.011 0.000 1.897 62 c HN 0.959 nan 8.230 nan 0.000 0.469 63 K N 1.562 121.888 120.400 -0.124 0.000 2.477 63 K HA 0.957 5.276 4.320 -0.001 0.000 0.255 63 K C -1.482 174.984 176.600 -0.224 0.000 0.952 63 K CA -0.695 55.394 56.287 -0.329 0.000 0.826 63 K CB 2.031 34.174 32.500 -0.596 0.000 1.331 63 K HN 0.847 nan 8.250 nan 0.000 0.437 64 L N -2.804 118.265 121.223 -0.257 0.000 2.518 64 L HA 0.635 4.974 4.340 -0.001 0.000 0.257 64 L C -3.139 173.671 176.870 -0.101 0.000 0.980 64 L CA -2.524 52.258 54.840 -0.097 0.000 0.837 64 L CB 2.119 44.206 42.059 0.047 0.000 1.410 64 L HN 0.358 nan 8.230 nan 0.000 0.410 65 P HA 0.087 nan 4.420 nan 0.000 0.269 65 P C 0.634 177.950 177.300 0.026 0.000 1.209 65 P CA -0.324 62.766 63.100 -0.016 0.000 0.776 65 P CB 0.738 32.449 31.700 0.019 0.000 0.876 66 L N 3.772 125.001 121.223 0.011 0.000 2.021 66 L HA -0.285 4.054 4.340 -0.001 0.000 0.215 66 L C 2.160 179.038 176.870 0.013 0.000 1.074 66 L CA 2.810 57.669 54.840 0.032 0.000 0.760 66 L CB -1.504 40.558 42.059 0.004 0.000 0.889 66 L HN 0.464 nan 8.230 nan 0.000 0.433 67 S N -2.080 113.617 115.700 -0.005 0.000 2.382 67 S HA -0.166 4.303 4.470 -0.001 0.000 0.228 67 S C 1.977 176.574 174.600 -0.005 0.000 1.027 67 S CA 1.252 59.413 58.200 -0.065 0.000 0.991 67 S CB -0.875 62.445 63.200 0.200 0.000 0.823 67 S HN 0.548 nan 8.310 nan 0.000 0.469 68 S N 1.425 117.170 115.700 0.076 0.000 2.368 68 S HA 0.007 4.476 4.470 -0.001 0.000 0.225 68 S C 1.375 176.056 174.600 0.135 0.000 1.030 68 S CA 1.240 59.500 58.200 0.100 0.000 0.999 68 S CB -0.733 62.537 63.200 0.115 0.000 0.844 68 S HN 0.585 nan 8.310 nan 0.000 0.459 69 F N 2.381 122.358 119.950 0.046 0.000 2.095 69 F HA -0.131 4.394 4.527 -0.004 0.000 0.298 69 F C 1.909 177.733 175.800 0.040 0.000 1.104 69 F CA 1.241 59.305 58.000 0.107 0.000 1.232 69 F CB -0.433 38.619 39.000 0.086 0.000 0.987 69 F HN 0.097 nan 8.300 nan 0.000 0.475 70 I N 0.260 120.845 120.570 0.026 0.000 2.163 70 I HA -0.301 3.868 4.170 -0.001 0.000 0.243 70 I C 2.368 178.398 176.117 -0.146 0.000 1.085 70 I CA 1.524 62.747 61.300 -0.129 0.000 1.347 70 I CB -0.618 37.062 38.000 -0.533 0.000 1.044 70 I HN 0.180 nan 8.210 nan 0.000 0.408 71 E N 0.804 120.945 120.200 -0.098 0.000 2.077 71 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 71 E C 2.289 178.837 176.600 -0.087 0.000 0.989 71 E CA 1.392 57.779 56.400 -0.021 0.000 0.800 71 E CB -0.265 29.461 29.700 0.042 0.000 0.746 71 E HN 0.564 nan 8.360 nan 0.000 0.452 72 I N 1.109 121.589 120.570 -0.149 0.000 2.202 72 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 72 I C 2.624 178.521 176.117 -0.367 0.000 1.091 72 I CA 1.127 62.285 61.300 -0.236 0.000 1.368 72 I CB -0.387 37.458 38.000 -0.259 0.000 1.058 72 I HN 0.000 nan 8.210 nan 0.000 0.410 73 V N -1.730 117.842 119.914 -0.570 0.000 2.809 73 V HA -0.098 4.021 4.120 -0.001 0.000 0.256 73 V C 2.016 177.910 176.094 -0.334 0.000 1.080 73 V CA 1.779 63.588 62.300 -0.819 0.000 1.102 73 V CB -1.398 29.655 31.823 -1.283 0.000 0.705 73 V HN 0.586 nan 8.190 nan 0.000 0.475 74 T N -2.840 111.627 114.554 -0.145 0.000 3.122 74 T HA 0.166 4.515 4.350 -0.001 0.000 0.250 74 T C 1.688 176.397 174.700 0.015 0.000 1.067 74 T CA 0.464 62.564 62.100 0.001 0.000 0.966 74 T CB -0.254 68.659 68.868 0.074 0.000 1.002 74 T HN 0.533 nan 8.240 nan 0.000 0.542 75 R N 1.855 122.337 120.500 -0.029 0.000 2.091 75 R HA -0.114 4.225 4.340 -0.001 0.000 0.238 75 R C 2.401 178.719 176.300 0.030 0.000 1.136 75 R CA 1.713 57.809 56.100 -0.006 0.000 0.959 75 R CB -0.212 30.066 30.300 -0.038 0.000 0.856 75 R HN 0.468 nan 8.270 nan 0.000 0.437 76 K N -0.314 120.111 120.400 0.040 0.000 2.217 76 K HA -0.047 4.272 4.320 -0.001 0.000 0.202 76 K C 1.717 178.378 176.600 0.102 0.000 1.051 76 K CA 1.179 57.503 56.287 0.062 0.000 0.952 76 K CB -0.051 32.487 32.500 0.064 0.000 0.736 76 K HN 0.257 nan 8.250 nan 0.000 0.453 77 A N 1.253 124.152 122.820 0.132 0.000 2.121 77 A HA -0.079 4.240 4.320 -0.001 0.000 0.218 77 A C 1.607 179.343 177.584 0.254 0.000 1.154 77 A CA 1.040 53.213 52.037 0.227 0.000 0.679 77 A CB -0.205 18.919 19.000 0.206 0.000 0.795 77 A HN 0.303 nan 8.150 nan 0.000 0.458 78 K N 0.114 120.606 120.400 0.154 0.000 2.442 78 K HA -0.079 4.240 4.320 -0.001 0.000 0.198 78 K C 0.630 177.280 176.600 0.082 0.000 1.042 78 K CA 0.893 57.255 56.287 0.126 0.000 0.958 78 K CB -0.032 32.516 32.500 0.080 0.000 0.766 78 K HN 0.398 nan 8.250 nan 0.000 0.474 79 D N 0.889 121.333 120.400 0.073 0.000 2.218 79 D HA -0.125 4.514 4.640 -0.001 0.000 0.204 79 D C 1.178 177.465 176.300 -0.022 0.000 0.976 79 D CA 1.293 55.310 54.000 0.027 0.000 0.853 79 D CB 0.212 41.030 40.800 0.031 0.000 0.939 79 D HN 0.223 nan 8.370 nan 0.000 0.481 80 K N -1.559 118.817 120.400 -0.041 0.000 2.464 80 K HA 0.171 4.490 4.320 -0.001 0.000 0.206 80 K C -0.179 176.078 176.600 -0.571 0.000 1.186 80 K CA -0.039 56.057 56.287 -0.318 0.000 0.990 80 K CB 1.334 33.577 32.500 -0.428 0.000 1.003 80 K HN -0.042 nan 8.250 nan 0.000 0.562 81 F N 0.862 120.835 119.950 0.040 0.000 2.576 81 F HA 0.404 4.930 4.527 -0.002 0.000 0.313 81 F C -0.424 175.389 175.800 0.021 0.000 1.078 81 F CA -1.106 56.913 58.000 0.031 0.000 0.921 81 F CB 1.318 40.342 39.000 0.039 0.000 1.232 81 F HN -0.312 nan 8.300 nan 0.000 0.459 82 L N 3.495 124.842 121.223 0.206 0.000 2.281 82 L HA 0.488 4.827 4.340 -0.001 0.000 0.285 82 L C -0.656 176.281 176.870 0.111 0.000 1.074 82 L CA -0.805 54.104 54.840 0.116 0.000 0.817 82 L CB 0.882 42.978 42.059 0.062 0.000 1.168 82 L HN 0.284 nan 8.230 nan 0.000 0.434 83 V N 5.662 125.630 119.914 0.090 0.000 2.383 83 V HA 0.467 4.586 4.120 -0.001 0.000 0.275 83 V C 0.353 176.468 176.094 0.035 0.000 1.036 83 V CA -0.348 62.000 62.300 0.081 0.000 0.889 83 V CB 1.349 33.241 31.823 0.116 0.000 0.985 83 V HN 0.792 nan 8.190 nan 0.000 0.459 84 M N 5.427 125.023 119.600 -0.007 0.000 2.667 84 M HA 0.868 5.347 4.480 -0.001 0.000 0.286 84 M C -1.578 174.667 176.300 -0.092 0.000 1.270 84 M CA -0.768 54.421 55.300 -0.186 0.000 0.826 84 M CB 2.836 35.325 32.600 -0.186 0.000 1.743 84 M HN 0.601 nan 8.290 nan 0.000 0.460 85 Y N -1.306 118.933 120.300 -0.100 0.000 2.750 85 Y HA 0.801 5.351 4.550 -0.000 0.000 0.335 85 Y C -1.686 174.163 175.900 -0.086 0.000 1.252 85 Y CA -1.129 56.895 58.100 -0.127 0.000 1.064 85 Y CB 0.679 39.029 38.460 -0.182 0.000 1.321 85 Y HN 1.033 nan 8.280 nan 0.000 0.451 86 N N -1.792 116.985 118.700 0.129 0.000 3.439 86 N HA 0.279 5.018 4.740 -0.001 0.000 0.313 86 N C -0.323 175.233 175.510 0.076 0.000 1.598 86 N CA -0.717 52.385 53.050 0.086 0.000 0.830 86 N CB 0.775 39.270 38.487 0.012 0.000 1.849 86 N HN 0.713 nan 8.380 nan 0.000 0.598 87 E N -0.545 119.683 120.200 0.047 0.000 2.268 87 E HA -0.121 4.228 4.350 -0.001 0.000 0.195 87 E C 0.984 177.593 176.600 0.014 0.000 0.995 87 E CA 0.768 57.187 56.400 0.032 0.000 0.836 87 E CB 0.088 29.804 29.700 0.028 0.000 0.763 87 E HN 0.505 nan 8.360 nan 0.000 0.491 88 K N 0.873 121.278 120.400 0.008 0.000 2.098 88 K HA -0.064 4.255 4.320 -0.001 0.000 0.203 88 K C 0.516 177.108 176.600 -0.013 0.000 1.051 88 K CA 0.895 57.181 56.287 -0.001 0.000 0.957 88 K CB 0.465 32.962 32.500 -0.004 0.000 0.738 88 K HN 0.097 nan 8.250 nan 0.000 0.447 89 E N -1.044 119.141 120.200 -0.024 0.000 2.416 89 E HA 0.213 4.562 4.350 -0.001 0.000 0.280 89 E C -1.445 175.102 176.600 -0.087 0.000 1.055 89 E CA -0.982 55.386 56.400 -0.053 0.000 0.825 89 E CB 1.569 31.245 29.700 -0.040 0.000 1.312 89 E HN -0.173 nan 8.360 nan 0.000 0.452 90 V N 1.083 120.894 119.914 -0.171 0.000 2.435 90 V HA 0.480 4.599 4.120 -0.001 0.000 0.290 90 V C -0.438 175.570 176.094 -0.142 0.000 1.030 90 V CA -0.352 61.807 62.300 -0.235 0.000 0.881 90 V CB 1.638 33.070 31.823 -0.653 0.000 0.983 90 V HN 0.750 nan 8.190 nan 0.000 0.445 91 T N 6.461 120.959 114.554 -0.092 0.000 2.792 91 T HA 0.629 4.978 4.350 -0.001 0.000 0.280 91 T C -0.510 174.146 174.700 -0.072 0.000 0.990 91 T CA -0.316 61.736 62.100 -0.079 0.000 0.960 91 T CB 0.852 69.688 68.868 -0.055 0.000 0.939 91 T HN 0.368 nan 8.240 nan 0.000 0.439 92 L N 3.435 124.589 121.223 -0.116 0.000 2.305 92 L HA 0.647 4.987 4.340 -0.001 0.000 0.284 92 L C -0.498 176.404 176.870 0.055 0.000 1.013 92 L CA -1.115 53.659 54.840 -0.110 0.000 0.819 92 L CB 1.542 43.297 42.059 -0.507 0.000 1.227 92 L HN 0.305 nan 8.230 nan 0.000 0.417 93 V N 2.666 122.702 119.914 0.204 0.000 2.398 93 V HA 0.470 4.589 4.120 -0.001 0.000 0.286 93 V C 0.663 176.949 176.094 0.319 0.000 1.026 93 V CA -0.709 61.718 62.300 0.211 0.000 0.868 93 V CB 1.670 33.550 31.823 0.094 0.000 0.982 93 V HN 0.884 nan 8.190 nan 0.000 0.443 94 A N 5.898 128.868 122.820 0.250 0.000 2.546 94 A HA 0.289 4.609 4.320 -0.001 0.000 0.243 94 A C 0.601 178.147 177.584 -0.063 0.000 1.063 94 A CA 0.078 52.094 52.037 -0.035 0.000 0.757 94 A CB -0.078 18.896 19.000 -0.043 0.000 0.991 94 A HN 0.863 nan 8.150 nan 0.000 0.503 95 R N 0.943 121.352 120.500 -0.151 0.000 2.594 95 R HA 0.506 4.845 4.340 -0.001 0.000 0.272 95 R C 0.749 177.009 176.300 -0.067 0.000 1.074 95 R CA 1.180 57.233 56.100 -0.080 0.000 1.105 95 R CB 0.641 30.890 30.300 -0.084 0.000 1.008 95 R HN 1.350 nan 8.270 nan 0.000 0.472 96 G N 0.000 108.777 108.800 -0.038 0.000 5.446 96 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 96 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 96 G CA 0.000 45.083 45.100 -0.029 0.000 0.502 96 G HN 0.000 nan 8.290 nan 0.000 0.925