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 2xcz_1_A DATA FIRST_RESID 1 DATA SEQUENCE PLINIQASVP AVADANSLLQ ELSSKLAELL GKPEKYVMTS LQCGVPMTFS DATA SEQUENCE GNTEPTCYVE VKSIGALDGS RTQEVSELVC GHIEQNLGIP ADRIYIGFED DATA SEQUENCE VPARLWGWNG STFG 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.441 177.300 0.235 0.000 1.155 1 P CA 0.000 63.120 63.100 0.034 0.000 0.800 1 P CB 0.000 31.697 31.700 -0.006 0.000 0.726 2 L N 0.943 122.336 121.223 0.283 0.000 2.436 2 L HA 0.823 5.171 4.340 0.014 0.000 0.268 2 L C -1.615 175.287 176.870 0.054 0.000 0.974 2 L CA -0.490 54.460 54.840 0.182 0.000 0.826 2 L CB 1.860 44.018 42.059 0.164 0.000 1.291 2 L HN 0.518 nan 8.230 nan 0.000 0.406 3 I N 4.730 125.302 120.570 0.004 0.000 2.468 3 I HA 0.506 4.685 4.170 0.014 0.000 0.284 3 I C -1.473 174.605 176.117 -0.066 0.000 1.038 3 I CA -0.313 60.950 61.300 -0.062 0.000 1.083 3 I CB 1.105 39.061 38.000 -0.073 0.000 1.223 3 I HN 0.623 nan 8.210 nan 0.000 0.443 4 N N 8.503 127.142 118.700 -0.101 0.000 2.417 4 N HA 0.540 5.288 4.740 0.014 0.000 0.274 4 N C -1.010 174.428 175.510 -0.120 0.000 0.987 4 N CA -0.228 52.773 53.050 -0.081 0.000 0.912 4 N CB 2.319 40.770 38.487 -0.061 0.000 1.177 4 N HN 0.499 nan 8.380 nan 0.000 0.490 5 I N 1.142 121.665 120.570 -0.078 0.000 2.377 5 I HA 0.256 4.434 4.170 0.014 0.000 0.293 5 I C 0.291 176.389 176.117 -0.031 0.000 0.987 5 I CA -0.597 60.654 61.300 -0.080 0.000 1.185 5 I CB 1.722 39.691 38.000 -0.053 0.000 1.341 5 I HN 0.220 nan 8.210 nan 0.000 0.455 6 Q N 6.108 125.903 119.800 -0.010 0.000 2.339 6 Q HA 0.755 5.103 4.340 0.014 0.000 0.268 6 Q C -1.672 174.349 176.000 0.034 0.000 1.027 6 Q CA -0.626 55.200 55.803 0.039 0.000 0.759 6 Q CB 1.934 30.736 28.738 0.108 0.000 1.244 6 Q HN 0.831 nan 8.270 nan 0.000 0.464 7 A N 2.204 125.035 122.820 0.018 0.000 2.413 7 A HA 0.508 4.837 4.320 0.014 0.000 0.307 7 A C 0.469 178.060 177.584 0.011 0.000 1.087 7 A CA -0.222 51.820 52.037 0.008 0.000 0.750 7 A CB 1.635 20.634 19.000 -0.003 0.000 1.296 7 A HN 0.878 nan 8.150 nan 0.000 0.423 8 S N 0.550 116.254 115.700 0.008 0.000 2.470 8 S HA 0.059 4.538 4.470 0.014 0.000 0.225 8 S C 0.922 175.526 174.600 0.007 0.000 1.006 8 S CA 0.819 59.026 58.200 0.010 0.000 0.934 8 S CB -1.268 61.940 63.200 0.013 0.000 0.778 8 S HN 1.796 nan 8.310 nan 0.000 0.517 9 V N -0.316 119.599 119.914 0.003 0.000 3.185 9 V HA 0.478 4.606 4.120 0.014 0.000 0.305 9 V C -2.689 173.406 176.094 0.001 0.000 1.090 9 V CA -2.236 60.064 62.300 0.001 0.000 1.107 9 V CB -0.537 31.284 31.823 -0.004 0.000 1.061 9 V HN 0.055 nan 8.190 nan 0.000 0.480 10 P HA 0.307 nan 4.420 nan 0.000 0.270 10 P C -0.187 177.114 177.300 0.001 0.000 1.223 10 P CA 0.177 63.278 63.100 0.001 0.000 0.785 10 P CB 0.224 31.925 31.700 0.001 0.000 0.923 11 A N 1.610 124.431 122.820 0.002 0.000 2.561 11 A HA 0.335 4.663 4.320 0.014 0.000 0.234 11 A C 0.242 177.827 177.584 0.000 0.000 1.055 11 A CA 0.069 52.108 52.037 0.002 0.000 0.756 11 A CB -0.606 18.396 19.000 0.004 0.000 0.986 11 A HN 0.447 nan 8.150 nan 0.000 0.505 12 V N -0.303 119.611 119.914 0.000 0.000 2.581 12 V HA 0.707 4.836 4.120 0.014 0.000 0.303 12 V C 0.981 177.075 176.094 0.000 0.000 1.041 12 V CA -0.143 62.155 62.300 -0.002 0.000 0.907 12 V CB 0.779 32.598 31.823 -0.006 0.000 0.994 12 V HN 1.435 nan 8.190 nan 0.000 0.442 13 A N 2.865 125.685 122.820 -0.001 0.000 1.972 13 A HA -0.118 4.211 4.320 0.014 0.000 0.219 13 A C 1.406 178.992 177.584 0.003 0.000 1.169 13 A CA 1.790 53.828 52.037 0.001 0.000 0.635 13 A CB -0.631 18.369 19.000 0.000 0.000 0.810 13 A HN 1.142 nan 8.150 nan 0.000 0.446 14 D N -0.644 119.756 120.400 0.001 0.000 2.460 14 D HA 0.428 5.077 4.640 0.014 0.000 0.229 14 D C 1.202 177.509 176.300 0.011 0.000 1.170 14 D CA 0.539 54.541 54.000 0.005 0.000 0.827 14 D CB -0.328 40.472 40.800 0.000 0.000 0.973 14 D HN 0.268 nan 8.370 nan 0.000 0.496 15 A N 1.543 124.369 122.820 0.011 0.000 1.903 15 A HA -0.330 3.999 4.320 0.014 0.000 0.219 15 A C 1.996 179.594 177.584 0.025 0.000 1.191 15 A CA 1.659 53.707 52.037 0.017 0.000 0.638 15 A CB -0.570 18.439 19.000 0.014 0.000 0.823 15 A HN 0.236 nan 8.150 nan 0.000 0.451 16 N N 0.245 118.957 118.700 0.020 0.000 2.069 16 N HA -0.103 4.646 4.740 0.014 0.000 0.191 16 N C 1.989 177.515 175.510 0.027 0.000 1.031 16 N CA 1.716 54.779 53.050 0.021 0.000 0.852 16 N CB -0.640 37.856 38.487 0.016 0.000 1.018 16 N HN 0.471 nan 8.380 nan 0.000 0.423 17 S N 1.244 116.961 115.700 0.028 0.000 2.356 17 S HA -0.036 4.443 4.470 0.014 0.000 0.223 17 S C 1.995 176.633 174.600 0.064 0.000 1.032 17 S CA 0.464 58.685 58.200 0.035 0.000 1.005 17 S CB -0.409 62.806 63.200 0.026 0.000 0.867 17 S HN 0.319 nan 8.310 nan 0.000 0.449 18 L N 1.365 122.632 121.223 0.073 0.000 2.013 18 L HA -0.156 4.193 4.340 0.014 0.000 0.212 18 L C 2.070 179.056 176.870 0.193 0.000 1.073 18 L CA 1.554 56.483 54.840 0.149 0.000 0.753 18 L CB -0.287 41.821 42.059 0.082 0.000 0.890 18 L HN 0.309 nan 8.230 nan 0.000 0.432 19 L N -0.827 120.449 121.223 0.089 0.000 2.093 19 L HA -0.217 4.131 4.340 0.014 0.000 0.208 19 L C 2.675 179.551 176.870 0.010 0.000 1.085 19 L CA 1.228 56.093 54.840 0.041 0.000 0.755 19 L CB -0.475 41.599 42.059 0.026 0.000 0.904 19 L HN 0.381 nan 8.230 nan 0.000 0.435 20 Q N -0.323 119.489 119.800 0.021 0.000 2.084 20 Q HA -0.263 4.086 4.340 0.014 0.000 0.202 20 Q C 2.134 178.129 176.000 -0.008 0.000 0.978 20 Q CA 1.689 57.495 55.803 0.005 0.000 0.844 20 Q CB -0.074 28.672 28.738 0.012 0.000 0.898 20 Q HN 0.459 nan 8.270 nan 0.000 0.426 21 E N 0.484 120.695 120.200 0.019 0.000 2.047 21 E HA -0.213 4.146 4.350 0.014 0.000 0.191 21 E C 1.970 178.483 176.600 -0.145 0.000 0.987 21 E CA 0.717 57.122 56.400 0.008 0.000 0.799 21 E CB -0.004 29.784 29.700 0.147 0.000 0.752 21 E HN 0.199 nan 8.360 nan 0.000 0.449 22 L N 0.888 121.934 121.223 -0.296 0.000 2.042 22 L HA -0.189 4.160 4.340 0.014 0.000 0.210 22 L C 2.435 179.185 176.870 -0.200 0.000 1.076 22 L CA 2.206 56.778 54.840 -0.447 0.000 0.749 22 L CB -0.917 40.904 42.059 -0.396 0.000 0.893 22 L HN 0.085 nan 8.230 nan 0.000 0.432 23 S N -1.125 114.508 115.700 -0.112 0.000 2.348 23 S HA -0.198 4.281 4.470 0.014 0.000 0.221 23 S C 2.203 176.766 174.600 -0.062 0.000 1.033 23 S CA 1.827 59.987 58.200 -0.067 0.000 1.010 23 S CB -0.551 62.625 63.200 -0.039 0.000 0.891 23 S HN 0.798 nan 8.310 nan 0.000 0.442 24 S N 1.402 117.067 115.700 -0.058 0.000 2.368 24 S HA -0.039 4.439 4.470 0.014 0.000 0.224 24 S C 1.848 176.418 174.600 -0.051 0.000 1.029 24 S CA 0.941 59.113 58.200 -0.046 0.000 0.988 24 S CB -0.570 62.610 63.200 -0.032 0.000 0.838 24 S HN 0.570 nan 8.310 nan 0.000 0.462 25 K N 0.744 121.102 120.400 -0.071 0.000 2.026 25 K HA 0.004 4.333 4.320 0.014 0.000 0.208 25 K C 2.152 178.717 176.600 -0.059 0.000 1.048 25 K CA 1.317 57.563 56.287 -0.068 0.000 0.929 25 K CB -0.490 31.950 32.500 -0.100 0.000 0.713 25 K HN 0.255 nan 8.250 nan 0.000 0.439 26 L N 1.112 122.292 121.223 -0.072 0.000 2.093 26 L HA -0.112 4.237 4.340 0.014 0.000 0.208 26 L C 2.236 179.084 176.870 -0.037 0.000 1.085 26 L CA 1.608 56.419 54.840 -0.048 0.000 0.755 26 L CB -0.591 41.438 42.059 -0.049 0.000 0.904 26 L HN 0.131 nan 8.230 nan 0.000 0.435 27 A N -0.944 121.852 122.820 -0.041 0.000 1.883 27 A HA -0.275 4.054 4.320 0.014 0.000 0.217 27 A C 2.350 179.914 177.584 -0.035 0.000 1.186 27 A CA 1.976 53.990 52.037 -0.038 0.000 0.624 27 A CB -0.751 18.227 19.000 -0.036 0.000 0.822 27 A HN 0.578 nan 8.150 nan 0.000 0.444 28 E N -0.649 119.532 120.200 -0.032 0.000 2.051 28 E HA -0.189 4.170 4.350 0.014 0.000 0.192 28 E C 1.979 178.563 176.600 -0.026 0.000 0.991 28 E CA 1.443 57.827 56.400 -0.027 0.000 0.799 28 E CB -0.191 29.495 29.700 -0.023 0.000 0.748 28 E HN 0.440 nan 8.360 nan 0.000 0.449 29 L N 1.023 122.231 121.223 -0.024 0.000 2.046 29 L HA -0.139 4.210 4.340 0.014 0.000 0.208 29 L C 2.144 179.000 176.870 -0.024 0.000 1.077 29 L CA 1.551 56.379 54.840 -0.020 0.000 0.747 29 L CB -0.374 41.678 42.059 -0.012 0.000 0.896 29 L HN 0.164 nan 8.230 nan 0.000 0.432 30 L N -0.496 120.710 121.223 -0.028 0.000 2.554 30 L HA 0.186 4.535 4.340 0.014 0.000 0.226 30 L C 1.426 178.265 176.870 -0.052 0.000 1.137 30 L CA 0.531 55.349 54.840 -0.038 0.000 0.863 30 L CB -0.860 41.176 42.059 -0.040 0.000 0.985 30 L HN 0.559 nan 8.230 nan 0.000 0.451 31 G N 0.948 109.720 108.800 -0.046 0.000 2.221 31 G HA2 -0.252 3.717 3.960 0.014 0.000 0.265 31 G HA3 -0.252 3.717 3.960 0.014 0.000 0.265 31 G C 0.112 174.976 174.900 -0.060 0.000 1.041 31 G CA 0.116 45.187 45.100 -0.048 0.000 0.807 31 G HN 0.272 nan 8.290 nan 0.000 0.502 32 K N 0.129 120.492 120.400 -0.061 0.000 2.207 32 K HA 0.457 4.786 4.320 0.014 0.000 0.255 32 K C -2.549 174.036 176.600 -0.024 0.000 0.941 32 K CA -2.008 54.239 56.287 -0.066 0.000 0.825 32 K CB 1.999 34.438 32.500 -0.101 0.000 1.119 32 K HN -0.035 nan 8.250 nan 0.000 0.430 33 P HA -0.003 nan 4.420 nan 0.000 0.264 33 P C 0.522 177.819 177.300 -0.005 0.000 1.193 33 P CA 0.201 63.317 63.100 0.027 0.000 0.763 33 P CB 0.548 32.307 31.700 0.097 0.000 0.810 34 E N 3.281 123.456 120.200 -0.042 0.000 2.209 34 E HA -0.260 4.099 4.350 0.014 0.000 0.196 34 E C 1.683 178.220 176.600 -0.105 0.000 0.993 34 E CA 0.886 57.252 56.400 -0.057 0.000 0.819 34 E CB 0.000 29.671 29.700 -0.049 0.000 0.745 34 E HN 0.359 nan 8.360 nan 0.000 0.477 35 K N -0.155 120.133 120.400 -0.186 0.000 2.107 35 K HA -0.226 4.103 4.320 0.014 0.000 0.211 35 K C 1.062 177.396 176.600 -0.444 0.000 1.049 35 K CA 1.736 57.809 56.287 -0.358 0.000 0.927 35 K CB -0.178 31.977 32.500 -0.577 0.000 0.714 35 K HN 0.249 nan 8.250 nan 0.000 0.452 36 Y N -0.070 120.135 120.300 -0.160 0.000 2.466 36 Y HA 0.138 4.697 4.550 0.014 0.000 0.272 36 Y C 0.113 175.913 175.900 -0.168 0.000 1.169 36 Y CA -0.353 57.602 58.100 -0.241 0.000 1.285 36 Y CB 0.602 38.836 38.460 -0.377 0.000 1.078 36 Y HN -0.239 nan 8.280 nan 0.000 0.523 37 V N 2.428 122.338 119.914 -0.006 0.000 2.461 37 V HA 0.156 4.285 4.120 0.014 0.000 0.275 37 V C 0.013 176.128 176.094 0.036 0.000 1.047 37 V CA -0.486 61.822 62.300 0.012 0.000 0.955 37 V CB 1.245 33.061 31.823 -0.012 0.000 0.988 37 V HN 0.219 nan 8.190 nan 0.000 0.471 38 M N 5.620 125.268 119.600 0.081 0.000 2.383 38 M HA 0.659 5.148 4.480 0.014 0.000 0.325 38 M C -0.274 176.058 176.300 0.054 0.000 1.092 38 M CA -0.165 55.186 55.300 0.085 0.000 0.961 38 M CB 1.994 34.679 32.600 0.142 0.000 1.672 38 M HN 0.850 nan 8.290 nan 0.000 0.438 39 T N 0.821 115.394 114.554 0.032 0.000 2.906 39 T HA 0.886 5.244 4.350 0.014 0.000 0.295 39 T C -0.839 173.868 174.700 0.011 0.000 1.075 39 T CA -0.553 61.553 62.100 0.010 0.000 1.005 39 T CB 1.796 70.661 68.868 -0.005 0.000 1.136 39 T HN 0.809 nan 8.240 nan 0.000 0.498 40 S N 1.204 116.904 115.700 -0.001 0.000 2.570 40 S HA 0.759 5.238 4.470 0.014 0.000 0.270 40 S C -1.770 172.828 174.600 -0.003 0.000 1.149 40 S CA -0.984 57.217 58.200 0.002 0.000 0.837 40 S CB 1.761 64.963 63.200 0.004 0.000 1.124 40 S HN 1.176 nan 8.310 nan 0.000 0.465 41 L N 1.336 122.561 121.223 0.004 0.000 2.446 41 L HA 0.532 4.881 4.340 0.014 0.000 0.268 41 L C -1.209 175.665 176.870 0.007 0.000 0.975 41 L CA -0.067 54.775 54.840 0.004 0.000 0.848 41 L CB 1.709 43.774 42.059 0.010 0.000 1.225 41 L HN 0.895 nan 8.230 nan 0.000 0.410 42 Q N 4.812 124.616 119.800 0.007 0.000 2.394 42 Q HA 0.463 4.812 4.340 0.014 0.000 0.259 42 Q C -0.863 175.143 176.000 0.011 0.000 1.021 42 Q CA -0.551 55.258 55.803 0.011 0.000 0.805 42 Q CB 1.512 30.260 28.738 0.016 0.000 1.226 42 Q HN 0.717 nan 8.270 nan 0.000 0.476 43 C N 0.028 119.334 119.300 0.009 0.000 2.352 43 C HA 0.676 5.145 4.460 0.014 0.000 0.387 43 C C 1.588 176.583 174.990 0.009 0.000 1.294 43 C CA 0.475 59.498 59.018 0.008 0.000 2.137 43 C CB 0.690 28.433 27.740 0.005 0.000 2.146 43 C HN 1.094 nan 8.230 nan 0.000 0.559 44 G N 0.238 109.043 108.800 0.008 0.000 2.168 44 G HA2 -0.185 3.784 3.960 0.014 0.000 0.257 44 G HA3 -0.185 3.784 3.960 0.014 0.000 0.257 44 G C -0.135 174.772 174.900 0.011 0.000 0.997 44 G CA 0.394 45.499 45.100 0.008 0.000 0.708 44 G HN 0.735 nan 8.290 nan 0.000 0.520 45 V N 1.310 121.232 119.914 0.014 0.000 2.461 45 V HA 0.360 4.488 4.120 0.014 0.000 0.275 45 V C -1.416 174.688 176.094 0.016 0.000 1.047 45 V CA -1.519 60.791 62.300 0.016 0.000 0.955 45 V CB 1.337 33.174 31.823 0.023 0.000 0.988 45 V HN 0.115 nan 8.190 nan 0.000 0.471 46 P HA 0.225 nan 4.420 nan 0.000 0.262 46 P C -0.459 176.851 177.300 0.018 0.000 1.199 46 P CA 0.589 63.697 63.100 0.014 0.000 0.763 46 P CB 0.255 31.961 31.700 0.011 0.000 0.790 47 M N 1.820 121.433 119.600 0.022 0.000 2.531 47 M HA 0.408 4.896 4.480 0.014 0.000 0.286 47 M C -0.169 176.155 176.300 0.040 0.000 1.232 47 M CA -0.553 54.765 55.300 0.030 0.000 0.877 47 M CB 2.947 35.565 32.600 0.031 0.000 1.726 47 M HN 0.214 nan 8.290 nan 0.000 0.463 48 T N -1.060 113.526 114.554 0.054 0.000 2.908 48 T HA 0.824 5.183 4.350 0.014 0.000 0.290 48 T C -1.304 173.488 174.700 0.154 0.000 1.034 48 T CA -0.625 61.518 62.100 0.071 0.000 1.010 48 T CB 2.156 71.047 68.868 0.038 0.000 1.068 48 T HN 0.491 nan 8.240 nan 0.000 0.481 49 F N 1.201 121.116 119.950 -0.059 0.000 2.574 49 F HA 0.532 5.066 4.527 0.012 0.000 0.313 49 F C 0.470 176.228 175.800 -0.070 0.000 1.130 49 F CA -0.795 57.149 58.000 -0.094 0.000 0.936 49 F CB 1.704 40.614 39.000 -0.152 0.000 1.219 49 F HN 0.919 nan 8.300 nan 0.000 0.445 50 S N 2.949 118.216 115.700 -0.721 0.000 3.521 50 S HA -0.107 4.372 4.470 0.014 0.000 0.328 50 S C 1.092 175.553 174.600 -0.232 0.000 1.165 50 S CA 1.439 59.314 58.200 -0.542 0.000 0.941 50 S CB -1.941 60.909 63.200 -0.583 0.000 0.951 50 S HN 2.371 nan 8.310 nan 0.000 0.539 51 G N 0.276 108.991 108.800 -0.142 0.000 2.179 51 G HA2 -0.351 3.618 3.960 0.014 0.000 0.260 51 G HA3 -0.351 3.618 3.960 0.014 0.000 0.260 51 G C -0.296 174.578 174.900 -0.043 0.000 0.977 51 G CA 0.787 45.844 45.100 -0.071 0.000 0.641 51 G HN 1.429 nan 8.290 nan 0.000 0.533 52 N N -1.338 117.339 118.700 -0.038 0.000 2.469 52 N HA 0.635 5.384 4.740 0.014 0.000 0.286 52 N C 0.540 176.060 175.510 0.017 0.000 1.275 52 N CA 0.119 53.162 53.050 -0.011 0.000 0.790 52 N CB 1.017 39.493 38.487 -0.018 0.000 1.446 52 N HN 0.259 nan 8.380 nan 0.000 0.501 53 T N -3.507 111.057 114.554 0.017 0.000 3.186 53 T HA 0.207 4.566 4.350 0.014 0.000 0.257 53 T C 0.028 174.743 174.700 0.026 0.000 1.029 53 T CA -0.409 61.706 62.100 0.024 0.000 0.916 53 T CB -0.375 68.502 68.868 0.015 0.000 1.041 53 T HN 0.390 nan 8.240 nan 0.000 0.562 54 E N 2.929 123.146 120.200 0.029 0.000 2.418 54 E HA 0.168 4.527 4.350 0.014 0.000 0.261 54 E C -2.390 174.231 176.600 0.035 0.000 1.070 54 E CA -2.182 54.235 56.400 0.029 0.000 0.931 54 E CB 0.092 29.811 29.700 0.031 0.000 0.954 54 E HN 0.190 nan 8.360 nan 0.000 0.439 55 P HA -0.100 nan 4.420 nan 0.000 0.259 55 P C -0.346 176.960 177.300 0.010 0.000 1.163 55 P CA 0.947 64.055 63.100 0.012 0.000 0.760 55 P CB 0.399 32.103 31.700 0.005 0.000 0.762 56 T N 2.542 117.092 114.554 -0.005 0.000 2.821 56 T HA 0.603 4.962 4.350 0.014 0.000 0.306 56 T C -1.897 172.770 174.700 -0.056 0.000 1.313 56 T CA -0.468 61.603 62.100 -0.048 0.000 1.012 56 T CB 0.936 69.787 68.868 -0.028 0.000 1.298 56 T HN 0.444 nan 8.240 nan 0.000 0.502 57 C N 3.256 122.496 119.300 -0.101 0.000 2.811 57 C HA 0.764 5.232 4.460 0.014 0.000 0.352 57 C C -1.945 173.038 174.990 -0.012 0.000 1.098 57 C CA -0.734 58.255 59.018 -0.050 0.000 1.295 57 C CB 0.341 28.044 27.740 -0.062 0.000 1.758 57 C HN 0.894 nan 8.230 nan 0.000 0.488 58 Y N 5.234 125.489 120.300 -0.075 0.000 2.352 58 Y HA 0.759 5.318 4.550 0.015 0.000 0.339 58 Y C -0.794 175.077 175.900 -0.049 0.000 0.992 58 Y CA -0.607 57.466 58.100 -0.045 0.000 1.100 58 Y CB 1.543 39.994 38.460 -0.016 0.000 1.192 58 Y HN 0.589 nan 8.280 nan 0.000 0.458 59 V N 6.363 125.737 119.914 -0.900 0.000 2.555 59 V HA 0.378 4.507 4.120 0.014 0.000 0.302 59 V C -0.993 174.461 176.094 -1.066 0.000 1.038 59 V CA -1.025 60.823 62.300 -0.753 0.000 0.887 59 V CB 1.695 33.261 31.823 -0.428 0.000 0.991 59 V HN 0.771 nan 8.190 nan 0.000 0.434 60 E N 3.636 123.430 120.200 -0.676 0.000 2.166 60 E HA 0.750 5.109 4.350 0.014 0.000 0.275 60 E C -1.464 174.940 176.600 -0.327 0.000 0.941 60 E CA -0.782 55.349 56.400 -0.449 0.000 0.784 60 E CB 2.256 31.841 29.700 -0.192 0.000 1.115 60 E HN 0.304 nan 8.360 nan 0.000 0.399 61 V N 3.304 122.998 119.914 -0.367 0.000 2.487 61 V HA 0.397 4.525 4.120 0.014 0.000 0.298 61 V C -0.368 175.694 176.094 -0.053 0.000 1.028 61 V CA -0.778 61.376 62.300 -0.243 0.000 0.860 61 V CB 1.517 33.091 31.823 -0.415 0.000 0.991 61 V HN 0.661 nan 8.190 nan 0.000 0.427 62 K N 2.328 122.770 120.400 0.069 0.000 2.375 62 K HA 0.834 5.163 4.320 0.014 0.000 0.249 62 K C -0.915 175.899 176.600 0.357 0.000 0.942 62 K CA -0.610 55.795 56.287 0.197 0.000 0.806 62 K CB 2.386 34.938 32.500 0.085 0.000 1.227 62 K HN 0.623 nan 8.250 nan 0.000 0.430 63 S N 1.429 117.340 115.700 0.351 0.000 2.550 63 S HA 0.459 4.938 4.470 0.014 0.000 0.270 63 S C -1.268 173.378 174.600 0.078 0.000 1.145 63 S CA -0.768 57.519 58.200 0.146 0.000 0.852 63 S CB 0.829 64.052 63.200 0.037 0.000 1.119 63 S HN 0.519 nan 8.310 nan 0.000 0.465 64 I N 4.347 124.765 120.570 -0.253 0.000 2.329 64 I HA 0.422 4.600 4.170 0.014 0.000 0.295 64 I C 1.294 177.307 176.117 -0.172 0.000 1.109 64 I CA 0.640 61.811 61.300 -0.216 0.000 1.297 64 I CB -0.338 37.390 38.000 -0.454 0.000 1.433 64 I HN 1.021 nan 8.210 nan 0.000 0.509 65 G N 4.975 113.731 108.800 -0.073 0.000 2.598 65 G HA2 -0.081 3.888 3.960 0.014 0.000 0.269 65 G HA3 -0.081 3.888 3.960 0.014 0.000 0.269 65 G C 0.622 175.482 174.900 -0.066 0.000 1.289 65 G CA -0.025 45.036 45.100 -0.064 0.000 0.926 65 G HN 1.778 nan 8.290 nan 0.000 0.567 66 A N -2.931 119.849 122.820 -0.068 0.000 3.021 66 A HA -0.127 4.202 4.320 0.014 0.000 0.257 66 A C 1.074 178.629 177.584 -0.047 0.000 1.277 66 A CA 2.167 54.166 52.037 -0.063 0.000 1.012 66 A CB -1.873 17.080 19.000 -0.078 0.000 1.147 66 A HN 1.799 nan 8.150 nan 0.000 0.861 67 L N 0.512 121.707 121.223 -0.046 0.000 3.218 67 L HA 0.282 4.631 4.340 0.014 0.000 0.279 67 L C -0.359 176.456 176.870 -0.092 0.000 1.287 67 L CA -0.582 54.216 54.840 -0.070 0.000 1.024 67 L CB 0.246 42.279 42.059 -0.043 0.000 1.409 67 L HN 0.285 nan 8.230 nan 0.000 0.580 68 D N 0.265 120.622 120.400 -0.073 0.000 2.312 68 D HA 0.436 5.085 4.640 0.014 0.000 0.248 68 D C 0.960 177.216 176.300 -0.074 0.000 1.086 68 D CA 0.693 54.652 54.000 -0.067 0.000 0.948 68 D CB 1.918 42.688 40.800 -0.051 0.000 1.162 68 D HN 0.197 nan 8.370 nan 0.000 0.446 69 G N 1.517 110.277 108.800 -0.067 0.000 2.629 69 G HA2 -0.377 3.592 3.960 0.014 0.000 0.313 69 G HA3 -0.377 3.592 3.960 0.014 0.000 0.313 69 G C 1.005 175.858 174.900 -0.078 0.000 1.217 69 G CA 1.077 46.140 45.100 -0.062 0.000 0.994 69 G HN 0.681 nan 8.290 nan 0.000 0.549 70 S N 0.751 116.410 115.700 -0.067 0.000 2.603 70 S HA 0.149 4.628 4.470 0.014 0.000 0.220 70 S C 2.020 176.566 174.600 -0.091 0.000 0.967 70 S CA 1.118 59.276 58.200 -0.071 0.000 0.920 70 S CB 0.130 63.301 63.200 -0.047 0.000 0.773 70 S HN 0.612 nan 8.310 nan 0.000 0.529 71 R N 1.856 122.294 120.500 -0.104 0.000 2.091 71 R HA -0.090 4.259 4.340 0.014 0.000 0.238 71 R C 2.685 178.877 176.300 -0.180 0.000 1.136 71 R CA 2.040 58.074 56.100 -0.110 0.000 0.959 71 R CB -1.593 28.649 30.300 -0.096 0.000 0.856 71 R HN 0.812 nan 8.270 nan 0.000 0.437 72 T N -1.415 112.939 114.554 -0.334 0.000 2.821 72 T HA -0.137 4.222 4.350 0.014 0.000 0.267 72 T C 1.929 176.416 174.700 -0.355 0.000 1.046 72 T CA 0.937 62.620 62.100 -0.695 0.000 1.139 72 T CB -0.116 68.099 68.868 -1.088 0.000 0.871 72 T HN 0.265 nan 8.240 nan 0.000 0.454 73 Q N 0.912 120.599 119.800 -0.187 0.000 2.050 73 Q HA -0.127 4.221 4.340 0.014 0.000 0.202 73 Q C 2.515 178.506 176.000 -0.016 0.000 0.980 73 Q CA 1.845 57.608 55.803 -0.067 0.000 0.840 73 Q CB -0.173 28.535 28.738 -0.050 0.000 0.898 73 Q HN 0.720 nan 8.270 nan 0.000 0.424 74 E N -0.267 119.916 120.200 -0.028 0.000 2.106 74 E HA -0.151 4.208 4.350 0.014 0.000 0.192 74 E C 2.060 178.681 176.600 0.035 0.000 0.984 74 E CA 1.207 57.607 56.400 0.000 0.000 0.806 74 E CB 0.075 29.767 29.700 -0.014 0.000 0.750 74 E HN 0.112 nan 8.360 nan 0.000 0.458 75 V N 0.748 120.697 119.914 0.058 0.000 2.358 75 V HA -0.251 3.878 4.120 0.014 0.000 0.246 75 V C 2.396 178.602 176.094 0.188 0.000 1.047 75 V CA 1.861 64.249 62.300 0.146 0.000 1.035 75 V CB -0.408 31.585 31.823 0.285 0.000 0.658 75 V HN 0.262 nan 8.190 nan 0.000 0.452 76 S N -0.681 115.162 115.700 0.239 0.000 2.368 76 S HA -0.273 4.205 4.470 0.014 0.000 0.225 76 S C 2.092 176.757 174.600 0.108 0.000 1.030 76 S CA 2.061 60.385 58.200 0.207 0.000 0.999 76 S CB -0.265 63.067 63.200 0.220 0.000 0.844 76 S HN 0.724 nan 8.310 nan 0.000 0.459 77 E N 0.030 120.278 120.200 0.080 0.000 2.051 77 E HA -0.189 4.170 4.350 0.014 0.000 0.192 77 E C 2.151 178.785 176.600 0.057 0.000 0.991 77 E CA 1.481 57.915 56.400 0.057 0.000 0.799 77 E CB -0.316 29.408 29.700 0.040 0.000 0.748 77 E HN 0.503 nan 8.360 nan 0.000 0.449 78 L N 0.598 121.854 121.223 0.054 0.000 1.989 78 L HA -0.176 4.172 4.340 0.014 0.000 0.211 78 L C 2.300 179.208 176.870 0.064 0.000 1.071 78 L CA 1.646 56.516 54.840 0.049 0.000 0.749 78 L CB -0.669 41.405 42.059 0.025 0.000 0.890 78 L HN 0.050 nan 8.230 nan 0.000 0.431 79 V N -1.011 118.936 119.914 0.054 0.000 2.307 79 V HA -0.311 3.818 4.120 0.014 0.000 0.245 79 V C 2.642 178.773 176.094 0.061 0.000 1.045 79 V CA 1.839 64.165 62.300 0.043 0.000 1.024 79 V CB -0.714 31.108 31.823 -0.002 0.000 0.651 79 V HN 0.676 nan 8.190 nan 0.000 0.449 80 C N 0.746 120.077 119.300 0.051 0.000 2.429 80 C HA -0.053 4.415 4.460 0.014 0.000 0.277 80 C C 2.921 177.938 174.990 0.045 0.000 1.262 80 C CA 0.784 59.826 59.018 0.040 0.000 1.733 80 C CB -1.674 26.092 27.740 0.044 0.000 2.010 80 C HN 0.691 nan 8.230 nan 0.000 0.483 81 G N -0.862 107.973 108.800 0.059 0.000 2.421 81 G HA2 -0.272 3.696 3.960 0.014 0.000 0.216 81 G HA3 -0.272 3.696 3.960 0.014 0.000 0.216 81 G C 1.281 176.218 174.900 0.061 0.000 1.171 81 G CA 1.385 46.518 45.100 0.054 0.000 0.775 81 G HN 0.671 nan 8.290 nan 0.000 0.543 82 H N 0.442 119.511 119.070 -0.002 0.000 2.353 82 H HA 0.079 4.641 4.556 0.011 0.000 0.300 82 H C 2.514 177.835 175.328 -0.011 0.000 1.090 82 H CA 1.561 57.605 56.048 -0.006 0.000 1.327 82 H CB -0.110 29.647 29.762 -0.008 0.000 1.383 82 H HN 0.347 nan 8.280 nan 0.000 0.508 83 I N 0.028 120.629 120.570 0.051 0.000 2.286 83 I HA -0.185 3.993 4.170 0.014 0.000 0.245 83 I C 2.386 178.478 176.117 -0.041 0.000 1.104 83 I CA 1.135 62.431 61.300 -0.007 0.000 1.397 83 I CB -0.263 37.744 38.000 0.011 0.000 1.072 83 I HN 0.386 nan 8.210 nan 0.000 0.417 84 E N 0.449 120.634 120.200 -0.025 0.000 2.038 84 E HA -0.341 4.018 4.350 0.014 0.000 0.195 84 E C 2.132 178.704 176.600 -0.046 0.000 1.000 84 E CA 1.858 58.243 56.400 -0.026 0.000 0.803 84 E CB -0.090 29.605 29.700 -0.009 0.000 0.750 84 E HN 0.413 nan 8.360 nan 0.000 0.448 85 Q N 0.631 120.389 119.800 -0.070 0.000 2.050 85 Q HA -0.117 4.231 4.340 0.014 0.000 0.202 85 Q C 1.622 177.552 176.000 -0.116 0.000 0.980 85 Q CA 1.625 57.374 55.803 -0.090 0.000 0.840 85 Q CB 0.115 28.789 28.738 -0.106 0.000 0.898 85 Q HN 0.144 nan 8.270 nan 0.000 0.424 86 N N -1.056 117.540 118.700 -0.173 0.000 2.409 86 N HA 0.078 4.827 4.740 0.014 0.000 0.174 86 N C 1.023 176.477 175.510 -0.093 0.000 1.037 86 N CA 0.653 53.604 53.050 -0.166 0.000 0.898 86 N CB 0.530 38.844 38.487 -0.288 0.000 1.010 86 N HN 0.292 nan 8.380 nan 0.000 0.445 87 L N -0.644 120.536 121.223 -0.073 0.000 2.731 87 L HA 0.301 4.649 4.340 0.014 0.000 0.240 87 L C 0.932 177.783 176.870 -0.032 0.000 1.120 87 L CA 0.003 54.818 54.840 -0.042 0.000 0.913 87 L CB 0.390 42.431 42.059 -0.031 0.000 1.213 87 L HN 0.050 nan 8.230 nan 0.000 0.515 88 G N 1.801 110.580 108.800 -0.035 0.000 2.198 88 G HA2 -0.288 3.681 3.960 0.014 0.000 0.260 88 G HA3 -0.288 3.681 3.960 0.014 0.000 0.260 88 G C 0.110 175.000 174.900 -0.016 0.000 1.025 88 G CA 0.063 45.149 45.100 -0.023 0.000 0.769 88 G HN 0.320 nan 8.290 nan 0.000 0.507 89 I N 1.253 121.811 120.570 -0.019 0.000 2.315 89 I HA 0.274 4.453 4.170 0.014 0.000 0.291 89 I C -1.889 174.220 176.117 -0.012 0.000 1.006 89 I CA -2.517 58.773 61.300 -0.016 0.000 1.265 89 I CB 1.522 39.507 38.000 -0.025 0.000 1.387 89 I HN -0.141 nan 8.210 nan 0.000 0.475 90 P HA -0.000 nan 4.420 nan 0.000 0.266 90 P C 0.441 177.743 177.300 0.004 0.000 1.195 90 P CA -0.009 63.095 63.100 0.007 0.000 0.768 90 P CB 0.891 32.604 31.700 0.022 0.000 0.838 91 A N 3.602 126.430 122.820 0.013 0.000 1.978 91 A HA -0.205 4.124 4.320 0.014 0.000 0.220 91 A C 1.495 179.093 177.584 0.025 0.000 1.170 91 A CA 1.968 54.015 52.037 0.017 0.000 0.636 91 A CB -1.179 17.839 19.000 0.030 0.000 0.810 91 A HN 0.636 nan 8.150 nan 0.000 0.448 92 D N -1.132 119.295 120.400 0.045 0.000 2.363 92 D HA -0.053 4.596 4.640 0.014 0.000 0.226 92 D C 1.166 177.524 176.300 0.097 0.000 1.020 92 D CA 0.371 54.423 54.000 0.086 0.000 0.892 92 D CB -0.330 40.533 40.800 0.104 0.000 0.900 92 D HN 0.468 nan 8.370 nan 0.000 0.531 93 R N -0.081 120.410 120.500 -0.015 0.000 2.613 93 R HA 0.393 4.741 4.340 0.014 0.000 0.361 93 R C -0.193 175.865 176.300 -0.404 0.000 1.072 93 R CA -0.281 55.715 56.100 -0.174 0.000 1.089 93 R CB 0.722 31.032 30.300 0.017 0.000 1.343 93 R HN 0.187 nan 8.270 nan 0.000 0.571 94 I N 1.079 121.481 120.570 -0.281 0.000 2.406 94 I HA 0.305 4.484 4.170 0.014 0.000 0.290 94 I C -0.819 175.258 176.117 -0.067 0.000 0.999 94 I CA -0.985 60.204 61.300 -0.186 0.000 1.124 94 I CB 1.224 39.185 38.000 -0.065 0.000 1.289 94 I HN -0.115 nan 8.210 nan 0.000 0.441 95 Y N 6.060 126.259 120.300 -0.168 0.000 2.409 95 Y HA 0.617 5.173 4.550 0.011 0.000 0.339 95 Y C -0.049 175.803 175.900 -0.080 0.000 1.033 95 Y CA -1.593 56.477 58.100 -0.049 0.000 1.094 95 Y CB 1.896 40.391 38.460 0.058 0.000 1.210 95 Y HN 0.312 nan 8.280 nan 0.000 0.456 96 I N 2.105 122.700 120.570 0.040 0.000 2.447 96 I HA 0.463 4.642 4.170 0.014 0.000 0.287 96 I C 0.269 176.266 176.117 -0.200 0.000 1.023 96 I CA -0.850 60.293 61.300 -0.263 0.000 1.083 96 I CB 2.120 39.892 38.000 -0.379 0.000 1.245 96 I HN 0.709 nan 8.210 nan 0.000 0.434 97 G N 5.844 114.499 108.800 -0.242 0.000 2.319 97 G HA2 0.614 4.583 3.960 0.014 0.000 0.308 97 G HA3 0.614 4.583 3.960 0.014 0.000 0.308 97 G C -0.993 173.788 174.900 -0.200 0.000 1.117 97 G CA -0.177 44.907 45.100 -0.026 0.000 0.903 97 G HN 0.315 nan 8.290 nan 0.000 0.436 98 F N 0.477 120.431 119.950 0.006 0.000 2.425 98 F HA 0.550 5.083 4.527 0.010 0.000 0.331 98 F C 0.625 176.435 175.800 0.017 0.000 1.085 98 F CA -0.575 57.427 58.000 0.003 0.000 1.028 98 F CB 2.390 41.388 39.000 -0.003 0.000 1.177 98 F HN 0.414 nan 8.300 nan 0.000 0.487 99 E N 1.590 121.920 120.200 0.217 0.000 2.278 99 E HA 0.134 4.492 4.350 0.014 0.000 0.272 99 E C -1.991 174.705 176.600 0.160 0.000 0.890 99 E CA -0.787 55.701 56.400 0.148 0.000 0.770 99 E CB 1.425 31.178 29.700 0.088 0.000 1.212 99 E HN 0.503 nan 8.360 nan 0.000 0.415 100 D N 4.171 124.645 120.400 0.123 0.000 2.380 100 D HA 0.196 4.844 4.640 0.014 0.000 0.230 100 D C -0.949 175.421 176.300 0.116 0.000 1.154 100 D CA -0.295 53.769 54.000 0.107 0.000 0.859 100 D CB 0.967 41.801 40.800 0.057 0.000 1.045 100 D HN 0.114 nan 8.370 nan 0.000 0.495 101 V N 6.185 126.207 119.914 0.181 0.000 2.407 101 V HA 0.335 4.463 4.120 0.014 0.000 0.278 101 V C -1.887 174.319 176.094 0.187 0.000 1.037 101 V CA -1.675 60.751 62.300 0.210 0.000 0.900 101 V CB 1.347 33.387 31.823 0.362 0.000 0.983 101 V HN 0.529 nan 8.190 nan 0.000 0.459 102 P HA 0.133 nan 4.420 nan 0.000 0.268 102 P C 0.648 178.050 177.300 0.170 0.000 1.205 102 P CA 0.019 63.188 63.100 0.115 0.000 0.771 102 P CB 0.831 32.585 31.700 0.089 0.000 0.858 103 A N 4.746 127.642 122.820 0.128 0.000 1.948 103 A HA -0.251 4.078 4.320 0.014 0.000 0.220 103 A C 1.928 179.668 177.584 0.260 0.000 1.177 103 A CA 1.801 53.946 52.037 0.180 0.000 0.636 103 A CB -0.950 18.112 19.000 0.104 0.000 0.815 103 A HN 0.691 nan 8.150 nan 0.000 0.449 104 R N -0.275 120.331 120.500 0.178 0.000 2.285 104 R HA 0.103 4.452 4.340 0.014 0.000 0.213 104 R C 0.809 177.209 176.300 0.166 0.000 1.068 104 R CA 1.242 57.436 56.100 0.157 0.000 1.004 104 R CB -0.493 29.868 30.300 0.101 0.000 0.873 104 R HN 0.455 nan 8.270 nan 0.000 0.467 105 L N -0.219 121.119 121.223 0.192 0.000 2.741 105 L HA 0.286 4.635 4.340 0.014 0.000 0.237 105 L C -0.090 176.910 176.870 0.218 0.000 1.178 105 L CA -0.487 54.449 54.840 0.160 0.000 0.973 105 L CB 0.103 42.228 42.059 0.111 0.000 1.255 105 L HN 0.260 nan 8.230 nan 0.000 0.498 106 W N 1.752 123.142 121.300 0.150 0.000 2.393 106 W HA 0.520 5.188 4.660 0.013 0.000 0.315 106 W C -0.051 176.631 176.519 0.272 0.000 1.009 106 W CA -1.148 56.330 57.345 0.221 0.000 1.313 106 W CB 1.587 31.205 29.460 0.263 0.000 1.269 106 W HN -0.078 nan 8.180 nan 0.000 0.420 107 G N 3.778 112.814 108.800 0.393 0.000 2.395 107 G HA2 0.396 4.365 3.960 0.014 0.000 0.283 107 G HA3 0.396 4.365 3.960 0.014 0.000 0.283 107 G C -2.149 173.045 174.900 0.491 0.000 1.178 107 G CA -0.135 45.160 45.100 0.324 0.000 0.837 107 G HN 0.516 nan 8.290 nan 0.000 0.518 108 W N 2.521 123.862 121.300 0.069 0.000 3.707 108 W HA 0.416 5.085 4.660 0.016 0.000 0.294 108 W C -0.252 176.226 176.519 -0.068 0.000 1.248 108 W CA -1.050 56.314 57.345 0.030 0.000 1.217 108 W CB 0.762 30.189 29.460 -0.054 0.000 1.306 108 W HN 0.725 nan 8.180 nan 0.000 0.532 109 N N 3.623 121.901 118.700 -0.702 0.000 2.740 109 N HA -0.146 4.603 4.740 0.014 0.000 0.248 109 N C 0.916 176.175 175.510 -0.419 0.000 1.062 109 N CA 3.064 55.632 53.050 -0.803 0.000 0.704 109 N CB -1.119 36.430 38.487 -1.563 0.000 0.968 109 N HN 1.904 nan 8.380 nan 0.000 0.547 110 G N -2.594 106.070 108.800 -0.227 0.000 2.184 110 G HA2 -0.280 3.689 3.960 0.014 0.000 0.264 110 G HA3 -0.280 3.689 3.960 0.014 0.000 0.264 110 G C 0.295 175.131 174.900 -0.107 0.000 0.975 110 G CA 1.296 46.313 45.100 -0.139 0.000 0.642 110 G HN 1.117 nan 8.290 nan 0.000 0.536 111 S N -1.771 113.857 115.700 -0.120 0.000 3.132 111 S HA 0.883 5.362 4.470 0.014 0.000 0.322 111 S C 0.198 174.790 174.600 -0.013 0.000 1.124 111 S CA 1.147 59.306 58.200 -0.068 0.000 0.906 111 S CB 1.333 64.477 63.200 -0.093 0.000 1.349 111 S HN 1.449 nan 8.310 nan 0.000 0.686 112 T N -1.241 113.319 114.554 0.011 0.000 2.864 112 T HA 0.605 4.964 4.350 0.014 0.000 0.289 112 T C -0.042 174.682 174.700 0.040 0.000 1.082 112 T CA -0.487 61.668 62.100 0.091 0.000 1.009 112 T CB 0.565 69.525 68.868 0.153 0.000 1.234 112 T HN 0.355 nan 8.240 nan 0.000 0.526 113 F N 0.741 120.799 119.950 0.180 0.000 2.748 113 F HA 0.319 4.856 4.527 0.016 0.000 0.299 113 F C 1.903 177.727 175.800 0.040 0.000 1.154 113 F CA 0.196 58.242 58.000 0.077 0.000 1.446 113 F CB -0.134 38.827 39.000 -0.065 0.000 1.112 113 F HN 0.852 nan 8.300 nan 0.000 0.584 114 G N 0.000 108.921 108.800 0.202 0.000 5.446 114 G HA2 0.000 3.969 3.960 0.014 0.000 0.244 114 G HA3 0.000 3.969 3.960 0.014 0.000 0.244 114 G CA 0.000 45.177 45.100 0.128 0.000 0.502 114 G HN 0.000 nan 8.290 nan 0.000 0.925