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 1qy7_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKKIEAIIRP FKLDEVKIAL VNAGIVGMTV SEVRGFGRQK GQTERYRGAE DATA SEQUENCE YTVEFLQKLK LEIVVEDAQV DTVIDKIVAA ARTGEIGDGK IFVSPVDQTI DATA SEQUENCE RIRTGEKNAD AI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.305 176.300 0.008 0.000 1.140 1 M CA 0.000 55.304 55.300 0.006 0.000 0.988 1 M CB 0.000 32.603 32.600 0.006 0.000 1.302 2 K N 0.913 121.319 120.400 0.010 0.000 2.426 2 K HA 0.715 5.035 4.320 -0.000 0.000 0.251 2 K C -1.395 175.215 176.600 0.016 0.000 0.941 2 K CA -0.926 55.370 56.287 0.014 0.000 0.808 2 K CB 2.446 34.955 32.500 0.015 0.000 1.265 2 K HN 0.527 nan 8.250 nan 0.000 0.432 3 K N 2.330 122.744 120.400 0.023 0.000 2.213 3 K HA 0.462 4.782 4.320 -0.000 0.000 0.270 3 K C -0.806 175.818 176.600 0.039 0.000 1.002 3 K CA -0.264 56.039 56.287 0.027 0.000 0.868 3 K CB 0.528 33.046 32.500 0.029 0.000 1.093 3 K HN 0.544 nan 8.250 nan 0.000 0.454 4 I N 4.046 124.637 120.570 0.034 0.000 2.362 4 I HA 0.297 4.467 4.170 -0.000 0.000 0.289 4 I C -0.304 175.841 176.117 0.046 0.000 0.994 4 I CA -0.568 60.754 61.300 0.036 0.000 1.158 4 I CB 1.693 39.700 38.000 0.012 0.000 1.315 4 I HN 0.566 nan 8.210 nan 0.000 0.451 5 E N 5.465 125.714 120.200 0.082 0.000 2.222 5 E HA 0.762 5.112 4.350 -0.000 0.000 0.267 5 E C -1.072 175.563 176.600 0.059 0.000 0.884 5 E CA -0.892 55.570 56.400 0.103 0.000 0.764 5 E CB 2.694 32.513 29.700 0.198 0.000 1.169 5 E HN 0.644 nan 8.360 nan 0.000 0.413 6 A N 3.501 126.331 122.820 0.016 0.000 2.393 6 A HA 0.562 4.882 4.320 -0.000 0.000 0.306 6 A C -1.022 176.546 177.584 -0.026 0.000 1.050 6 A CA -0.707 51.297 52.037 -0.055 0.000 0.724 6 A CB 0.911 19.866 19.000 -0.074 0.000 1.248 6 A HN 0.462 nan 8.150 nan 0.000 0.424 7 I N 4.212 124.755 120.570 -0.045 0.000 2.328 7 I HA 0.406 4.576 4.170 -0.000 0.000 0.287 7 I C 0.069 176.150 176.117 -0.060 0.000 1.012 7 I CA -0.097 61.194 61.300 -0.015 0.000 1.195 7 I CB 0.275 38.301 38.000 0.043 0.000 1.350 7 I HN 0.717 nan 8.210 nan 0.000 0.464 8 I N 3.546 124.073 120.570 -0.072 0.000 3.170 8 I HA 0.641 4.811 4.170 -0.000 0.000 0.312 8 I C -0.065 175.976 176.117 -0.125 0.000 1.085 8 I CA -1.339 59.895 61.300 -0.111 0.000 0.999 8 I CB 1.768 39.687 38.000 -0.135 0.000 1.233 8 I HN 0.332 nan 8.210 nan 0.000 0.467 9 R N 2.154 122.540 120.500 -0.191 0.000 2.491 9 R HA 0.241 4.581 4.340 -0.000 0.000 0.283 9 R C -1.856 174.307 176.300 -0.229 0.000 1.072 9 R CA -1.093 54.885 56.100 -0.205 0.000 1.048 9 R CB 0.312 30.412 30.300 -0.333 0.000 0.983 9 R HN 0.465 nan 8.270 nan 0.000 0.450 10 P HA -0.219 nan 4.420 nan 0.000 0.216 10 P C 0.810 178.094 177.300 -0.027 0.000 1.153 10 P CA 1.336 64.409 63.100 -0.045 0.000 0.858 10 P CB -0.001 31.708 31.700 0.015 0.000 0.789 11 F N -1.224 118.712 119.950 -0.023 0.000 2.546 11 F HA 0.078 4.605 4.527 0.000 0.000 0.298 11 F C 1.359 177.148 175.800 -0.018 0.000 1.120 11 F CA 0.899 58.888 58.000 -0.019 0.000 1.456 11 F CB -0.835 38.154 39.000 -0.018 0.000 1.088 11 F HN -0.275 nan 8.300 nan 0.000 0.572 12 K N 0.863 120.911 120.400 -0.586 0.000 2.444 12 K HA 0.100 4.420 4.320 -0.000 0.000 0.193 12 K C 1.822 178.311 176.600 -0.184 0.000 1.024 12 K CA 0.177 56.206 56.287 -0.430 0.000 1.077 12 K CB -0.282 31.892 32.500 -0.543 0.000 0.833 12 K HN 0.377 nan 8.250 nan 0.000 0.517 13 L N 2.110 123.257 121.223 -0.126 0.000 1.963 13 L HA -0.249 4.091 4.340 -0.000 0.000 0.220 13 L C 1.380 178.224 176.870 -0.044 0.000 1.076 13 L CA 2.120 56.918 54.840 -0.071 0.000 0.772 13 L CB -0.584 41.449 42.059 -0.042 0.000 0.892 13 L HN 0.090 nan 8.230 nan 0.000 0.435 14 D N -0.681 119.707 120.400 -0.019 0.000 2.149 14 D HA -0.218 4.422 4.640 -0.000 0.000 0.198 14 D C 2.128 178.421 176.300 -0.012 0.000 0.990 14 D CA 1.399 55.395 54.000 -0.008 0.000 0.839 14 D CB -0.033 40.773 40.800 0.010 0.000 0.948 14 D HN 0.590 nan 8.370 nan 0.000 0.460 15 E N 0.153 120.343 120.200 -0.017 0.000 2.031 15 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 15 E C 2.095 178.676 176.600 -0.031 0.000 0.994 15 E CA 0.798 57.188 56.400 -0.018 0.000 0.800 15 E CB 0.178 29.867 29.700 -0.019 0.000 0.752 15 E HN 0.010 nan 8.360 nan 0.000 0.447 16 V N 1.515 121.399 119.914 -0.050 0.000 2.295 16 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 16 V C 2.509 178.582 176.094 -0.035 0.000 1.049 16 V CA 2.142 64.412 62.300 -0.049 0.000 1.024 16 V CB -0.556 31.226 31.823 -0.067 0.000 0.648 16 V HN 0.287 nan 8.190 nan 0.000 0.447 17 K N 0.166 120.547 120.400 -0.032 0.000 2.009 17 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 17 K C 2.097 178.687 176.600 -0.016 0.000 1.049 17 K CA 2.067 58.340 56.287 -0.022 0.000 0.929 17 K CB -0.291 32.197 32.500 -0.019 0.000 0.714 17 K HN 0.425 nan 8.250 nan 0.000 0.440 18 I N 0.923 121.485 120.570 -0.014 0.000 2.252 18 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 18 I C 2.528 178.639 176.117 -0.011 0.000 1.102 18 I CA 1.043 62.338 61.300 -0.010 0.000 1.385 18 I CB -0.386 37.611 38.000 -0.006 0.000 1.064 18 I HN 0.288 nan 8.210 nan 0.000 0.414 19 A N 0.834 123.646 122.820 -0.014 0.000 1.908 19 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 19 A C 2.141 179.716 177.584 -0.014 0.000 1.181 19 A CA 1.581 53.610 52.037 -0.014 0.000 0.627 19 A CB -0.631 18.358 19.000 -0.018 0.000 0.818 19 A HN 0.282 nan 8.150 nan 0.000 0.445 20 L N -0.682 120.532 121.223 -0.016 0.000 2.027 20 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 20 L C 2.602 179.465 176.870 -0.011 0.000 1.074 20 L CA 1.342 56.173 54.840 -0.015 0.000 0.745 20 L CB -0.861 41.188 42.059 -0.017 0.000 0.898 20 L HN 0.191 nan 8.230 nan 0.000 0.433 21 V N 0.030 119.938 119.914 -0.010 0.000 2.332 21 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 21 V C 2.203 178.293 176.094 -0.007 0.000 1.055 21 V CA 1.655 63.950 62.300 -0.008 0.000 1.038 21 V CB -0.684 31.135 31.823 -0.007 0.000 0.651 21 V HN 0.486 nan 8.190 nan 0.000 0.450 22 N N 0.353 119.049 118.700 -0.007 0.000 2.381 22 N HA -0.047 4.693 4.740 -0.000 0.000 0.182 22 N C 1.502 177.009 175.510 -0.006 0.000 1.025 22 N CA 1.325 54.371 53.050 -0.006 0.000 0.888 22 N CB -0.245 38.239 38.487 -0.005 0.000 0.965 22 N HN 0.521 nan 8.380 nan 0.000 0.438 23 A N -0.568 122.248 122.820 -0.007 0.000 2.275 23 A HA 0.460 4.780 4.320 -0.000 0.000 0.212 23 A C 1.356 178.936 177.584 -0.006 0.000 1.201 23 A CA 0.578 52.611 52.037 -0.007 0.000 0.843 23 A CB -0.207 18.788 19.000 -0.009 0.000 0.873 23 A HN 0.253 nan 8.150 nan 0.000 0.492 24 G N -0.702 108.094 108.800 -0.006 0.000 2.132 24 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.234 24 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.234 24 G C -0.161 174.736 174.900 -0.005 0.000 0.989 24 G CA 0.126 45.223 45.100 -0.005 0.000 0.676 24 G HN 0.349 nan 8.290 nan 0.000 0.522 25 I N 1.945 122.511 120.570 -0.006 0.000 2.337 25 I HA 0.383 4.553 4.170 -0.000 0.000 0.285 25 I C 1.294 177.407 176.117 -0.007 0.000 1.041 25 I CA -0.534 60.763 61.300 -0.007 0.000 1.199 25 I CB 0.972 38.967 38.000 -0.008 0.000 1.370 25 I HN 0.387 nan 8.210 nan 0.000 0.470 26 V N 2.256 122.167 119.914 -0.005 0.000 3.380 26 V HA 0.446 4.566 4.120 -0.000 0.000 0.307 26 V C 1.152 177.244 176.094 -0.004 0.000 1.434 26 V CA 0.422 62.719 62.300 -0.005 0.000 1.075 26 V CB 0.601 32.422 31.823 -0.004 0.000 0.954 26 V HN 0.637 nan 8.190 nan 0.000 0.444 27 G N 2.173 110.970 108.800 -0.004 0.000 3.440 27 G HA2 0.306 4.266 3.960 -0.000 0.000 0.263 27 G HA3 0.306 4.266 3.960 -0.000 0.000 0.263 27 G C 0.512 175.410 174.900 -0.003 0.000 1.236 27 G CA -0.069 45.029 45.100 -0.003 0.000 0.927 27 G HN 0.675 nan 8.290 nan 0.000 0.530 28 M N 0.440 120.037 119.600 -0.005 0.000 2.241 28 M HA 0.603 5.083 4.480 -0.000 0.000 0.335 28 M C -0.233 176.064 176.300 -0.005 0.000 1.122 28 M CA -0.128 55.169 55.300 -0.005 0.000 1.164 28 M CB 1.101 33.695 32.600 -0.009 0.000 1.459 28 M HN -0.021 nan 8.290 nan 0.000 0.461 29 T N 0.342 114.894 114.554 -0.003 0.000 2.876 29 T HA 0.743 5.093 4.350 -0.000 0.000 0.289 29 T C -0.727 173.970 174.700 -0.005 0.000 1.014 29 T CA -0.804 61.294 62.100 -0.003 0.000 0.986 29 T CB 1.766 70.634 68.868 -0.001 0.000 1.021 29 T HN 0.622 nan 8.240 nan 0.000 0.458 30 V N 2.635 122.545 119.914 -0.007 0.000 2.604 30 V HA 0.824 4.944 4.120 -0.000 0.000 0.305 30 V C -0.073 176.014 176.094 -0.010 0.000 1.043 30 V CA -0.806 61.487 62.300 -0.011 0.000 0.888 30 V CB 1.872 33.686 31.823 -0.016 0.000 0.995 30 V HN 1.277 nan 8.190 nan 0.000 0.429 31 S N 2.262 117.955 115.700 -0.011 0.000 2.570 31 S HA 0.677 5.147 4.470 -0.000 0.000 0.286 31 S C -0.948 173.640 174.600 -0.021 0.000 1.099 31 S CA -1.047 57.145 58.200 -0.013 0.000 0.913 31 S CB 2.003 65.198 63.200 -0.007 0.000 1.085 31 S HN 0.684 nan 8.310 nan 0.000 0.480 32 E N 0.944 121.129 120.200 -0.025 0.000 2.259 32 E HA 0.548 4.898 4.350 -0.000 0.000 0.281 32 E C -0.083 176.489 176.600 -0.048 0.000 1.027 32 E CA -0.838 55.538 56.400 -0.039 0.000 0.838 32 E CB 1.442 31.119 29.700 -0.038 0.000 1.066 32 E HN 0.636 nan 8.360 nan 0.000 0.401 33 V N 0.096 119.969 119.914 -0.069 0.000 3.167 33 V HA 0.658 4.778 4.120 -0.000 0.000 0.310 33 V C -0.698 175.291 176.094 -0.174 0.000 1.207 33 V CA -1.242 61.005 62.300 -0.088 0.000 1.059 33 V CB 2.152 33.944 31.823 -0.052 0.000 1.079 33 V HN 0.584 nan 8.190 nan 0.000 0.446 34 R N -0.191 120.148 120.500 -0.268 0.000 2.740 34 R HA 0.869 5.209 4.340 -0.000 0.000 0.282 34 R C -0.234 175.724 176.300 -0.569 0.000 0.969 34 R CA -0.082 55.668 56.100 -0.584 0.000 0.918 34 R CB 2.275 31.980 30.300 -0.991 0.000 1.175 34 R HN 1.332 nan 8.270 nan 0.000 0.464 35 G N 1.063 109.501 108.800 -0.604 0.000 2.645 35 G HA2 0.477 4.437 3.960 -0.000 0.000 0.292 35 G HA3 0.477 4.437 3.960 -0.000 0.000 0.292 35 G C -1.575 173.226 174.900 -0.164 0.000 1.415 35 G CA -0.696 44.279 45.100 -0.208 0.000 0.785 35 G HN 0.289 nan 8.290 nan 0.000 0.483 36 F N 0.122 120.193 119.950 0.203 0.000 2.384 36 F HA 0.639 5.166 4.527 0.000 0.000 0.338 36 F C 1.084 176.945 175.800 0.102 0.000 1.103 36 F CA 0.806 58.926 58.000 0.199 0.000 1.157 36 F CB 2.077 41.192 39.000 0.193 0.000 1.167 36 F HN 0.653 nan 8.300 nan 0.000 0.529 37 G N 2.171 111.141 108.800 0.284 0.000 2.692 37 G HA2 0.582 4.542 3.960 -0.000 0.000 0.291 37 G HA3 0.582 4.542 3.960 -0.000 0.000 0.291 37 G C -1.596 173.394 174.900 0.149 0.000 1.423 37 G CA -1.189 44.007 45.100 0.159 0.000 0.843 37 G HN 0.504 nan 8.290 nan 0.000 0.486 38 R N -0.140 120.398 120.500 0.064 0.000 2.500 38 R HA 0.527 4.867 4.340 -0.000 0.000 0.275 38 R C -0.418 175.886 176.300 0.007 0.000 1.051 38 R CA -0.537 55.572 56.100 0.016 0.000 1.088 38 R CB 1.367 31.519 30.300 -0.246 0.000 1.063 38 R HN 0.543 nan 8.270 nan 0.000 0.511 39 Q N 2.050 121.884 119.800 0.057 0.000 2.275 39 Q HA 0.172 4.512 4.340 -0.000 0.000 0.266 39 Q C -1.109 174.951 176.000 0.102 0.000 1.002 39 Q CA -0.873 54.967 55.803 0.062 0.000 0.761 39 Q CB 1.286 30.076 28.738 0.087 0.000 1.255 39 Q HN 0.240 nan 8.270 nan 0.000 0.446 40 K N 1.698 122.132 120.400 0.056 0.000 2.485 40 K HA 0.194 4.513 4.320 -0.000 0.000 0.277 40 K C 0.267 176.937 176.600 0.116 0.000 0.990 40 K CA 0.346 56.696 56.287 0.105 0.000 0.994 40 K CB 0.639 33.172 32.500 0.055 0.000 0.906 40 K HN 0.751 nan 8.250 nan 0.000 0.488 41 G N 1.429 110.312 108.800 0.139 0.000 2.552 41 G HA2 0.295 4.255 3.960 -0.000 0.000 0.324 41 G HA3 0.295 4.255 3.960 -0.000 0.000 0.324 41 G C -0.765 174.165 174.900 0.050 0.000 1.217 41 G CA -0.638 44.513 45.100 0.084 0.000 0.989 41 G HN 0.499 nan 8.290 nan 0.000 0.490 42 Q N -0.561 119.254 119.800 0.027 0.000 2.327 42 Q HA 0.508 4.848 4.340 -0.000 0.000 0.254 42 Q C -0.092 175.903 176.000 -0.009 0.000 0.952 42 Q CA 0.209 56.018 55.803 0.010 0.000 0.884 42 Q CB 1.371 30.112 28.738 0.005 0.000 1.224 42 Q HN 0.494 nan 8.270 nan 0.000 0.422 43 T N 0.285 114.827 114.554 -0.019 0.000 2.775 43 T HA 0.165 4.515 4.350 -0.000 0.000 0.320 43 T C -0.871 173.800 174.700 -0.049 0.000 1.597 43 T CA -0.530 61.538 62.100 -0.053 0.000 1.022 43 T CB 1.316 70.130 68.868 -0.091 0.000 1.485 43 T HN 0.701 nan 8.240 nan 0.000 0.494 44 E N 0.130 120.288 120.200 -0.071 0.000 2.572 44 E HA 0.221 4.571 4.350 -0.000 0.000 0.220 44 E C 1.846 178.407 176.600 -0.065 0.000 0.945 44 E CA -0.353 56.018 56.400 -0.047 0.000 1.070 44 E CB 0.730 30.409 29.700 -0.034 0.000 1.090 44 E HN 0.402 nan 8.360 nan 0.000 0.506 45 R N 0.627 121.031 120.500 -0.160 0.000 2.060 45 R HA -0.001 4.339 4.340 -0.000 0.000 0.225 45 R C 0.310 176.533 176.300 -0.129 0.000 1.155 45 R CA 1.391 57.337 56.100 -0.257 0.000 0.930 45 R CB -0.052 29.876 30.300 -0.620 0.000 0.829 45 R HN 0.091 nan 8.270 nan 0.000 0.433 46 Y N -3.013 117.302 120.300 0.025 0.000 2.687 46 Y HA 0.315 4.865 4.550 0.000 0.000 0.338 46 Y C -0.980 174.944 175.900 0.040 0.000 1.189 46 Y CA -1.730 56.386 58.100 0.028 0.000 1.097 46 Y CB 0.430 38.906 38.460 0.027 0.000 1.342 46 Y HN -0.141 nan 8.280 nan 0.000 0.461 47 R N 1.262 121.927 120.500 0.276 0.000 2.486 47 R HA 0.353 4.693 4.340 -0.000 0.000 0.303 47 R C 1.169 177.627 176.300 0.264 0.000 0.958 47 R CA 2.060 58.275 56.100 0.191 0.000 1.077 47 R CB -0.477 29.895 30.300 0.120 0.000 0.921 47 R HN 1.614 nan 8.270 nan 0.000 0.406 48 G N 2.466 111.400 108.800 0.224 0.000 2.162 48 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.260 48 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.260 48 G C 0.793 175.935 174.900 0.403 0.000 0.976 48 G CA 0.479 45.770 45.100 0.318 0.000 0.655 48 G HN 0.833 nan 8.290 nan 0.000 0.533 49 A N -0.614 122.356 122.820 0.250 0.000 2.024 49 A HA 0.331 4.651 4.320 -0.000 0.000 0.220 49 A C 1.045 178.629 177.584 0.001 0.000 1.164 49 A CA 2.038 54.100 52.037 0.040 0.000 0.643 49 A CB -0.030 18.639 19.000 -0.551 0.000 0.806 49 A HN 0.711 nan 8.150 nan 0.000 0.451 50 E N -2.427 117.801 120.200 0.048 0.000 2.343 50 E HA 0.568 4.918 4.350 -0.000 0.000 0.278 50 E C -1.552 175.119 176.600 0.119 0.000 0.910 50 E CA -0.697 55.677 56.400 -0.043 0.000 0.757 50 E CB 1.933 31.605 29.700 -0.047 0.000 1.218 50 E HN 0.462 nan 8.360 nan 0.000 0.435 51 Y N -2.050 118.266 120.300 0.026 0.000 2.741 51 Y HA 0.600 5.150 4.550 -0.000 0.000 0.339 51 Y C -1.018 174.905 175.900 0.038 0.000 1.226 51 Y CA -1.175 56.945 58.100 0.034 0.000 1.072 51 Y CB 0.738 39.225 38.460 0.045 0.000 1.331 51 Y HN 0.438 nan 8.280 nan 0.000 0.453 52 T N -1.076 113.664 114.554 0.310 0.000 2.924 52 T HA 0.768 5.118 4.350 -0.000 0.000 0.291 52 T C -1.378 173.475 174.700 0.256 0.000 1.045 52 T CA -0.931 61.294 62.100 0.209 0.000 1.015 52 T CB 1.721 70.672 68.868 0.138 0.000 1.103 52 T HN 0.737 nan 8.240 nan 0.000 0.496 53 V N 2.731 122.773 119.914 0.214 0.000 2.350 53 V HA 0.465 4.585 4.120 -0.000 0.000 0.276 53 V C -0.137 176.147 176.094 0.318 0.000 1.028 53 V CA -0.576 61.874 62.300 0.250 0.000 0.860 53 V CB 0.814 32.740 31.823 0.172 0.000 0.990 53 V HN 0.872 nan 8.190 nan 0.000 0.453 54 E N 3.046 123.446 120.200 0.333 0.000 2.281 54 E HA 0.428 4.778 4.350 -0.000 0.000 0.262 54 E C -1.092 175.681 176.600 0.288 0.000 0.933 54 E CA -0.750 55.831 56.400 0.302 0.000 0.809 54 E CB 2.957 32.761 29.700 0.174 0.000 1.242 54 E HN 0.539 nan 8.360 nan 0.000 0.418 55 F N 2.573 122.463 119.950 -0.099 0.000 2.390 55 F HA 0.218 4.745 4.527 -0.000 0.000 0.361 55 F C -0.644 175.048 175.800 -0.180 0.000 1.124 55 F CA -0.792 56.972 58.000 -0.392 0.000 1.149 55 F CB 0.175 38.913 39.000 -0.436 0.000 1.160 55 F HN 0.256 nan 8.300 nan 0.000 0.501 56 L N 2.462 123.487 121.223 -0.331 0.000 2.277 56 L HA 0.527 4.867 4.340 -0.000 0.000 0.254 56 L C -1.018 175.660 176.870 -0.320 0.000 1.044 56 L CA -1.311 53.380 54.840 -0.249 0.000 0.842 56 L CB 1.009 43.015 42.059 -0.089 0.000 1.422 56 L HN 0.390 nan 8.230 nan 0.000 0.422 57 Q N 0.709 120.390 119.800 -0.198 0.000 2.332 57 Q HA 0.483 4.823 4.340 -0.000 0.000 0.263 57 Q C -0.968 174.960 176.000 -0.120 0.000 0.979 57 Q CA 0.085 55.789 55.803 -0.166 0.000 0.885 57 Q CB 1.010 29.688 28.738 -0.100 0.000 1.218 57 Q HN 0.504 nan 8.270 nan 0.000 0.405 58 K N 1.659 121.988 120.400 -0.120 0.000 2.430 58 K HA 0.634 4.954 4.320 -0.000 0.000 0.268 58 K C -1.138 175.420 176.600 -0.070 0.000 1.043 58 K CA -0.873 55.364 56.287 -0.083 0.000 0.899 58 K CB 1.553 34.007 32.500 -0.076 0.000 1.472 58 K HN 0.359 nan 8.250 nan 0.000 0.451 59 L N 1.189 122.377 121.223 -0.058 0.000 2.381 59 L HA 0.503 4.843 4.340 -0.000 0.000 0.268 59 L C -0.827 176.023 176.870 -0.033 0.000 0.997 59 L CA -0.858 53.954 54.840 -0.047 0.000 0.818 59 L CB 2.133 44.161 42.059 -0.052 0.000 1.310 59 L HN 0.472 nan 8.230 nan 0.000 0.416 60 K N 3.560 123.949 120.400 -0.018 0.000 2.274 60 K HA 0.569 4.889 4.320 -0.000 0.000 0.262 60 K C -1.586 175.013 176.600 -0.002 0.000 0.961 60 K CA -0.536 55.752 56.287 0.002 0.000 0.833 60 K CB 1.831 34.342 32.500 0.018 0.000 1.102 60 K HN 0.547 nan 8.250 nan 0.000 0.436 61 L N 3.622 124.844 121.223 -0.002 0.000 2.317 61 L HA 0.447 4.787 4.340 -0.000 0.000 0.281 61 L C -0.998 175.877 176.870 0.009 0.000 1.024 61 L CA -0.381 54.456 54.840 -0.006 0.000 0.810 61 L CB 1.427 43.473 42.059 -0.022 0.000 1.240 61 L HN 0.754 nan 8.230 nan 0.000 0.427 62 E N 5.714 125.919 120.200 0.008 0.000 2.256 62 E HA 0.580 4.930 4.350 -0.000 0.000 0.268 62 E C -1.459 175.145 176.600 0.008 0.000 0.877 62 E CA -0.535 55.874 56.400 0.015 0.000 0.757 62 E CB 2.863 32.573 29.700 0.017 0.000 1.183 62 E HN 0.457 nan 8.360 nan 0.000 0.418 63 I N 1.924 122.500 120.570 0.010 0.000 2.644 63 I HA 0.301 4.471 4.170 -0.000 0.000 0.291 63 I C -0.935 175.187 176.117 0.009 0.000 1.180 63 I CA -1.074 60.229 61.300 0.005 0.000 1.040 63 I CB 2.209 40.209 38.000 0.000 0.000 1.255 63 I HN 0.188 nan 8.210 nan 0.000 0.422 64 V N 6.300 126.218 119.914 0.007 0.000 2.370 64 V HA 0.592 4.712 4.120 -0.000 0.000 0.283 64 V C -0.016 176.080 176.094 0.005 0.000 1.023 64 V CA -0.518 61.786 62.300 0.007 0.000 0.857 64 V CB 1.693 33.520 31.823 0.007 0.000 0.985 64 V HN 0.546 nan 8.190 nan 0.000 0.443 65 V N 1.762 121.679 119.914 0.005 0.000 3.141 65 V HA 0.690 4.810 4.120 -0.000 0.000 0.312 65 V C -0.343 175.753 176.094 0.004 0.000 1.157 65 V CA -1.131 61.171 62.300 0.003 0.000 1.041 65 V CB 2.015 33.839 31.823 0.001 0.000 1.071 65 V HN 0.767 nan 8.190 nan 0.000 0.441 66 E N 0.796 120.997 120.200 0.002 0.000 2.383 66 E HA 0.115 4.465 4.350 -0.000 0.000 0.264 66 E C -0.003 176.599 176.600 0.003 0.000 1.050 66 E CA -0.079 56.323 56.400 0.002 0.000 0.896 66 E CB 0.715 30.416 29.700 0.001 0.000 0.982 66 E HN 0.742 nan 8.360 nan 0.000 0.424 67 D N 2.073 122.475 120.400 0.004 0.000 2.172 67 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 67 D C 1.674 177.976 176.300 0.003 0.000 0.999 67 D CA 1.644 55.646 54.000 0.004 0.000 0.856 67 D CB -0.245 40.558 40.800 0.004 0.000 0.934 67 D HN 0.553 nan 8.370 nan 0.000 0.453 68 A N 0.303 123.124 122.820 0.002 0.000 2.067 68 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 68 A C 1.937 179.520 177.584 -0.001 0.000 1.158 68 A CA 1.048 53.085 52.037 0.001 0.000 0.661 68 A CB -0.323 18.677 19.000 0.000 0.000 0.801 68 A HN 0.256 nan 8.150 nan 0.000 0.452 69 Q N -0.603 119.197 119.800 -0.001 0.000 2.392 69 Q HA 0.075 4.415 4.340 -0.000 0.000 0.203 69 Q C 1.738 177.736 176.000 -0.003 0.000 0.917 69 Q CA 0.437 56.238 55.803 -0.002 0.000 0.939 69 Q CB 0.024 28.761 28.738 -0.002 0.000 1.063 69 Q HN 0.469 nan 8.270 nan 0.000 0.516 70 V N 1.846 121.759 119.914 -0.001 0.000 2.231 70 V HA -0.335 3.785 4.120 -0.000 0.000 0.250 70 V C 1.607 177.697 176.094 -0.005 0.000 1.058 70 V CA 2.310 64.609 62.300 -0.001 0.000 1.022 70 V CB -0.499 31.326 31.823 0.002 0.000 0.640 70 V HN 0.348 nan 8.190 nan 0.000 0.445 71 D N -0.236 120.161 120.400 -0.005 0.000 2.158 71 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 71 D C 2.276 178.570 176.300 -0.011 0.000 0.995 71 D CA 1.926 55.922 54.000 -0.008 0.000 0.846 71 D CB -0.499 40.297 40.800 -0.006 0.000 0.941 71 D HN 0.470 nan 8.370 nan 0.000 0.456 72 T N 0.363 114.912 114.554 -0.009 0.000 2.708 72 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 72 T C 2.262 176.954 174.700 -0.013 0.000 1.037 72 T CA 0.838 62.932 62.100 -0.010 0.000 1.146 72 T CB -0.326 68.537 68.868 -0.008 0.000 0.865 72 T HN -0.013 nan 8.240 nan 0.000 0.435 73 V N 1.357 121.264 119.914 -0.012 0.000 2.343 73 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 73 V C 2.390 178.471 176.094 -0.022 0.000 1.051 73 V CA 1.346 63.637 62.300 -0.015 0.000 1.036 73 V CB -0.643 31.173 31.823 -0.012 0.000 0.654 73 V HN 0.475 nan 8.190 nan 0.000 0.451 74 I N 0.162 120.718 120.570 -0.022 0.000 2.163 74 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 74 I C 2.334 178.431 176.117 -0.032 0.000 1.085 74 I CA 1.677 62.958 61.300 -0.031 0.000 1.347 74 I CB -0.537 37.446 38.000 -0.029 0.000 1.044 74 I HN 0.312 nan 8.210 nan 0.000 0.408 75 D N 0.920 121.305 120.400 -0.025 0.000 2.123 75 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 75 D C 2.199 178.484 176.300 -0.025 0.000 0.992 75 D CA 1.117 55.102 54.000 -0.024 0.000 0.833 75 D CB -0.208 40.581 40.800 -0.018 0.000 0.954 75 D HN 0.161 nan 8.370 nan 0.000 0.455 76 K N 0.475 120.860 120.400 -0.024 0.000 2.026 76 K HA -0.037 4.283 4.320 -0.000 0.000 0.208 76 K C 2.390 178.970 176.600 -0.032 0.000 1.048 76 K CA 0.401 56.673 56.287 -0.025 0.000 0.929 76 K CB -0.497 31.990 32.500 -0.021 0.000 0.713 76 K HN 0.272 nan 8.250 nan 0.000 0.439 77 I N 0.689 121.236 120.570 -0.038 0.000 2.179 77 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 77 I C 2.325 178.409 176.117 -0.056 0.000 1.088 77 I CA 0.901 62.172 61.300 -0.049 0.000 1.357 77 I CB -0.346 37.621 38.000 -0.054 0.000 1.051 77 I HN -0.142 nan 8.210 nan 0.000 0.409 78 V N 1.133 121.015 119.914 -0.053 0.000 2.287 78 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 78 V C 2.732 178.799 176.094 -0.045 0.000 1.053 78 V CA 2.103 64.371 62.300 -0.053 0.000 1.027 78 V CB -1.008 30.787 31.823 -0.047 0.000 0.646 78 V HN 0.507 nan 8.190 nan 0.000 0.447 79 A N -0.248 122.550 122.820 -0.036 0.000 1.902 79 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 79 A C 2.337 179.902 177.584 -0.030 0.000 1.181 79 A CA 2.134 54.154 52.037 -0.028 0.000 0.623 79 A CB -0.655 18.332 19.000 -0.022 0.000 0.818 79 A HN 0.582 nan 8.150 nan 0.000 0.443 80 A N -0.923 121.874 122.820 -0.037 0.000 2.021 80 A HA 0.435 4.755 4.320 -0.000 0.000 0.216 80 A C 2.242 179.788 177.584 -0.064 0.000 1.163 80 A CA 1.414 53.426 52.037 -0.042 0.000 0.676 80 A CB -0.520 18.455 19.000 -0.040 0.000 0.818 80 A HN 0.959 nan 8.150 nan 0.000 0.453 81 A N -0.658 122.115 122.820 -0.079 0.000 2.195 81 A HA 0.208 4.528 4.320 -0.000 0.000 0.210 81 A C 1.383 178.902 177.584 -0.108 0.000 1.165 81 A CA 0.047 52.015 52.037 -0.116 0.000 0.806 81 A CB -0.239 18.692 19.000 -0.117 0.000 0.847 81 A HN 0.458 nan 8.150 nan 0.000 0.482 82 R N 0.643 121.102 120.500 -0.068 0.000 2.543 82 R HA 0.223 4.563 4.340 -0.000 0.000 0.277 82 R C 0.918 177.205 176.300 -0.021 0.000 1.074 82 R CA 1.066 57.138 56.100 -0.046 0.000 1.076 82 R CB 0.469 30.750 30.300 -0.033 0.000 0.993 82 R HN 0.303 nan 8.270 nan 0.000 0.459 83 T N -0.204 114.349 114.554 -0.001 0.000 2.954 83 T HA 0.237 4.587 4.350 -0.000 0.000 0.252 83 T C 1.203 175.921 174.700 0.030 0.000 0.983 83 T CA 0.412 62.539 62.100 0.044 0.000 0.941 83 T CB 0.635 69.566 68.868 0.105 0.000 1.141 83 T HN 0.785 nan 8.240 nan 0.000 0.500 84 G N 1.290 110.097 108.800 0.011 0.000 2.213 84 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.236 84 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.236 84 G C -0.206 174.697 174.900 0.005 0.000 0.991 84 G CA 0.076 45.179 45.100 0.005 0.000 0.629 84 G HN 0.674 nan 8.290 nan 0.000 0.517 85 E N 0.527 120.734 120.200 0.012 0.000 2.248 85 E HA 0.540 4.890 4.350 -0.000 0.000 0.272 85 E C 0.571 177.167 176.600 -0.006 0.000 1.008 85 E CA -1.122 55.281 56.400 0.004 0.000 0.856 85 E CB 1.313 31.023 29.700 0.015 0.000 1.120 85 E HN 0.127 nan 8.360 nan 0.000 0.397 86 I N 1.727 122.285 120.570 -0.020 0.000 2.752 86 I HA -0.029 4.141 4.170 -0.000 0.000 0.289 86 I C 1.384 177.489 176.117 -0.020 0.000 1.197 86 I CA 1.334 62.620 61.300 -0.024 0.000 1.432 86 I CB -0.277 37.696 38.000 -0.045 0.000 1.359 86 I HN 0.978 nan 8.210 nan 0.000 0.571 87 G N 5.013 113.808 108.800 -0.008 0.000 2.168 87 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.197 87 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.197 87 G C 0.605 175.498 174.900 -0.012 0.000 0.997 87 G CA 0.007 45.108 45.100 0.000 0.000 0.658 87 G HN 0.530 nan 8.290 nan 0.000 0.513 88 D N 0.698 121.083 120.400 -0.024 0.000 2.263 88 D HA 0.354 4.994 4.640 -0.000 0.000 0.208 88 D C 1.790 178.050 176.300 -0.067 0.000 0.971 88 D CA 2.583 56.554 54.000 -0.049 0.000 0.867 88 D CB -0.059 40.711 40.800 -0.049 0.000 0.929 88 D HN 1.721 nan 8.370 nan 0.000 0.492 89 G N -0.555 108.213 108.800 -0.053 0.000 2.592 89 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.684 89 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.684 89 G C -0.876 173.952 174.900 -0.120 0.000 1.291 89 G CA -0.713 44.346 45.100 -0.069 0.000 0.891 89 G HN 0.160 nan 8.290 nan 0.000 0.544 90 K N -1.061 119.217 120.400 -0.203 0.000 2.480 90 K HA 0.759 5.079 4.320 -0.000 0.000 0.258 90 K C -0.659 175.589 176.600 -0.586 0.000 0.990 90 K CA -0.912 55.140 56.287 -0.392 0.000 0.857 90 K CB 2.405 34.605 32.500 -0.501 0.000 1.384 90 K HN 0.473 nan 8.250 nan 0.000 0.446 91 I N 1.816 122.013 120.570 -0.622 0.000 2.465 91 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 91 I C -1.198 174.557 176.117 -0.603 0.000 1.014 91 I CA -0.783 60.221 61.300 -0.492 0.000 1.093 91 I CB 0.999 38.864 38.000 -0.224 0.000 1.267 91 I HN 0.340 nan 8.210 nan 0.000 0.431 92 F N 5.000 124.948 119.950 -0.003 0.000 2.507 92 F HA 0.581 5.108 4.527 -0.000 0.000 0.325 92 F C -0.170 175.629 175.800 -0.002 0.000 1.116 92 F CA -0.992 57.008 58.000 -0.000 0.000 0.930 92 F CB 1.810 40.811 39.000 0.002 0.000 1.146 92 F HN -0.051 nan 8.300 nan 0.000 0.447 93 V N 2.456 122.474 119.914 0.173 0.000 2.459 93 V HA 0.748 4.868 4.120 -0.000 0.000 0.295 93 V C -0.428 175.717 176.094 0.085 0.000 1.029 93 V CA -0.602 61.755 62.300 0.096 0.000 0.874 93 V CB 1.585 33.440 31.823 0.054 0.000 0.985 93 V HN 0.879 nan 8.190 nan 0.000 0.438 94 S N 5.241 120.978 115.700 0.062 0.000 2.661 94 S HA 0.782 5.252 4.470 -0.000 0.000 0.285 94 S C -3.193 171.423 174.600 0.027 0.000 1.138 94 S CA -1.652 56.572 58.200 0.040 0.000 0.855 94 S CB 2.670 65.889 63.200 0.032 0.000 1.136 94 S HN 0.520 nan 8.310 nan 0.000 0.484 95 P HA 0.478 nan 4.420 nan 0.000 0.282 95 P C -1.190 176.116 177.300 0.011 0.000 1.249 95 P CA -0.523 62.585 63.100 0.013 0.000 0.806 95 P CB 1.091 32.797 31.700 0.010 0.000 0.984 96 V N 3.165 123.085 119.914 0.009 0.000 2.482 96 V HA 0.124 4.244 4.120 -0.000 0.000 0.295 96 V C 0.673 176.770 176.094 0.006 0.000 1.026 96 V CA -0.237 62.068 62.300 0.007 0.000 0.856 96 V CB 1.550 33.378 31.823 0.008 0.000 1.001 96 V HN 0.491 nan 8.190 nan 0.000 0.424 97 D N 2.832 123.235 120.400 0.004 0.000 2.194 97 D HA 0.012 4.652 4.640 -0.000 0.000 0.204 97 D C 0.707 177.009 176.300 0.003 0.000 0.964 97 D CA 0.919 54.921 54.000 0.004 0.000 0.846 97 D CB 0.545 41.347 40.800 0.003 0.000 0.962 97 D HN 0.812 nan 8.370 nan 0.000 0.490 98 Q N -0.744 119.057 119.800 0.003 0.000 2.522 98 Q HA 0.480 4.820 4.340 -0.000 0.000 0.285 98 Q C -1.244 174.758 176.000 0.003 0.000 0.982 98 Q CA -0.905 54.899 55.803 0.003 0.000 0.805 98 Q CB 1.628 30.367 28.738 0.002 0.000 1.457 98 Q HN -0.031 nan 8.270 nan 0.000 0.394 99 T N -0.923 113.633 114.554 0.002 0.000 2.876 99 T HA 0.802 5.152 4.350 -0.000 0.000 0.289 99 T C -0.831 173.870 174.700 0.002 0.000 1.014 99 T CA -0.628 61.473 62.100 0.002 0.000 0.986 99 T CB 1.063 69.932 68.868 0.002 0.000 1.021 99 T HN 0.458 nan 8.240 nan 0.000 0.458 100 I N 1.460 122.031 120.570 0.001 0.000 2.499 100 I HA 0.480 4.650 4.170 -0.000 0.000 0.288 100 I C 0.053 176.170 176.117 0.001 0.000 1.048 100 I CA -0.796 60.504 61.300 0.001 0.000 1.062 100 I CB 2.261 40.262 38.000 0.001 0.000 1.238 100 I HN 0.663 nan 8.210 nan 0.000 0.426 101 R N 5.621 126.121 120.500 0.001 0.000 2.216 101 R HA 0.436 4.776 4.340 -0.000 0.000 0.332 101 R C 0.816 177.116 176.300 0.000 0.000 1.056 101 R CA -0.192 55.908 56.100 0.001 0.000 0.901 101 R CB 0.524 30.824 30.300 0.000 0.000 1.039 101 R HN 0.717 nan 8.270 nan 0.000 0.456 102 I N 3.573 124.143 120.570 0.000 0.000 2.208 102 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 102 I C 2.526 178.643 176.117 0.000 0.000 1.097 102 I CA 1.433 62.733 61.300 0.000 0.000 1.363 102 I CB -0.254 37.746 38.000 0.000 0.000 1.051 102 I HN 0.691 nan 8.210 nan 0.000 0.413 103 R N 0.629 121.129 120.500 0.000 0.000 2.091 103 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 103 R C 2.217 178.517 176.300 0.000 0.000 1.136 103 R CA 2.324 58.424 56.100 0.000 0.000 0.959 103 R CB -0.175 30.125 30.300 -0.000 0.000 0.856 103 R HN 0.537 nan 8.270 nan 0.000 0.437 104 T N -5.279 109.275 114.554 0.000 0.000 2.990 104 T HA 0.274 4.624 4.350 -0.000 0.000 0.249 104 T C 1.315 176.015 174.700 0.000 0.000 1.039 104 T CA 0.458 62.558 62.100 0.000 0.000 1.036 104 T CB 0.934 69.802 68.868 0.000 0.000 0.994 104 T HN 0.401 nan 8.240 nan 0.000 0.489 105 G N 1.460 110.260 108.800 0.000 0.000 2.176 105 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.253 105 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.253 105 G C -0.197 174.704 174.900 0.000 0.000 0.979 105 G CA 0.030 45.130 45.100 0.000 0.000 0.641 105 G HN 0.668 nan 8.290 nan 0.000 0.530 106 E N 0.749 120.949 120.200 0.000 0.000 2.442 106 E HA 0.380 4.730 4.350 -0.000 0.000 0.262 106 E C 0.411 177.012 176.600 0.001 0.000 1.004 106 E CA 0.619 57.019 56.400 0.000 0.000 0.928 106 E CB 0.407 30.107 29.700 0.000 0.000 0.937 106 E HN 0.421 nan 8.360 nan 0.000 0.446 107 K N 2.256 122.657 120.400 0.001 0.000 2.328 107 K HA 0.400 4.720 4.320 -0.000 0.000 0.246 107 K C -0.711 175.890 176.600 0.001 0.000 0.955 107 K CA -0.920 55.368 56.287 0.001 0.000 0.817 107 K CB 1.547 34.048 32.500 0.001 0.000 1.208 107 K HN 0.261 nan 8.250 nan 0.000 0.432 108 N N 1.194 119.895 118.700 0.001 0.000 2.480 108 N HA 0.483 5.223 4.740 -0.000 0.000 0.289 108 N C -2.023 173.489 175.510 0.002 0.000 1.073 108 N CA -0.242 52.809 53.050 0.001 0.000 0.885 108 N CB 1.988 40.476 38.487 0.002 0.000 1.421 108 N HN 0.734 nan 8.380 nan 0.000 0.503 109 A N 2.352 125.173 122.820 0.002 0.000 2.435 109 A HA 0.546 4.866 4.320 -0.000 0.000 0.304 109 A C -0.873 176.713 177.584 0.002 0.000 1.064 109 A CA -0.716 51.322 52.037 0.002 0.000 0.727 109 A CB 1.124 20.125 19.000 0.002 0.000 1.284 109 A HN 0.524 nan 8.150 nan 0.000 0.415 110 D N 0.953 121.355 120.400 0.002 0.000 2.339 110 D HA 0.514 5.154 4.640 -0.000 0.000 0.245 110 D C 0.358 176.659 176.300 0.002 0.000 1.115 110 D CA 0.624 54.626 54.000 0.003 0.000 0.917 110 D CB 1.540 42.342 40.800 0.003 0.000 1.192 110 D HN 0.730 nan 8.370 nan 0.000 0.428 111 A N 1.701 124.522 122.820 0.002 0.000 2.312 111 A HA 0.523 4.843 4.320 -0.000 0.000 0.328 111 A C 0.601 178.186 177.584 0.002 0.000 1.158 111 A CA -0.789 51.249 52.037 0.002 0.000 0.821 111 A CB 0.469 19.470 19.000 0.002 0.000 1.170 111 A HN 0.509 nan 8.150 nan 0.000 0.490 112 I N 0.000 120.571 120.570 0.002 0.000 2.984 112 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 112 I CA 0.000 61.301 61.300 0.002 0.000 1.566 112 I CB 0.000 38.001 38.000 0.002 0.000 1.214 112 I HN 0.000 nan 8.210 nan 0.000 0.494