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 2eiz_1_B DATA FIRST_RESID 1 DATA SEQUENCE QVQLQESGPG LMKPSETLSL TcSVSGDSIR SDYWSWIRQP PGKGLEYIGY DATA SEQUENCE VSYSGSTYYN PSLKSRVTIS VDTSKNRFSL KLNSVTAADT AVYYcARWDG DATA SEQUENCE DYWGQGILVT VSS 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.923 176.000 -0.129 0.000 1.003 1 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 1 Q CB 0.000 28.747 28.738 0.015 0.000 1.108 2 V N 2.226 121.919 119.914 -0.369 0.000 2.581 2 V HA 0.611 4.729 4.120 -0.003 0.000 0.303 2 V C -0.434 175.480 176.094 -0.300 0.000 1.041 2 V CA -0.521 61.481 62.300 -0.496 0.000 0.907 2 V CB 1.986 33.163 31.823 -1.078 0.000 0.994 2 V HN 0.621 nan 8.190 nan 0.000 0.442 3 Q N 3.063 122.787 119.800 -0.128 0.000 2.305 3 Q HA 0.693 5.031 4.340 -0.003 0.000 0.271 3 Q C -2.066 173.943 176.000 0.016 0.000 1.046 3 Q CA -0.340 55.456 55.803 -0.011 0.000 0.798 3 Q CB 1.875 30.615 28.738 0.004 0.000 1.286 3 Q HN 0.568 nan 8.270 nan 0.000 0.435 4 L N 2.841 124.110 121.223 0.076 0.000 2.334 4 L HA 0.717 5.055 4.340 -0.003 0.000 0.276 4 L C -0.981 175.921 176.870 0.054 0.000 1.014 4 L CA -0.428 54.450 54.840 0.063 0.000 0.815 4 L CB 2.043 44.178 42.059 0.126 0.000 1.268 4 L HN 0.690 nan 8.230 nan 0.000 0.428 5 Q N 1.485 121.290 119.800 0.007 0.000 2.269 5 Q HA 0.486 4.824 4.340 -0.003 0.000 0.263 5 Q C -1.462 174.537 176.000 -0.002 0.000 0.983 5 Q CA -0.511 55.303 55.803 0.019 0.000 0.777 5 Q CB 1.577 30.324 28.738 0.016 0.000 1.273 5 Q HN 0.525 nan 8.270 nan 0.000 0.440 6 E N 1.017 121.238 120.200 0.034 0.000 2.343 6 E HA 0.703 5.051 4.350 -0.003 0.000 0.269 6 E C -0.801 175.831 176.600 0.054 0.000 1.047 6 E CA -0.172 56.272 56.400 0.073 0.000 0.874 6 E CB 1.338 31.130 29.700 0.153 0.000 1.033 6 E HN 0.599 nan 8.360 nan 0.000 0.409 7 S N 0.232 115.961 115.700 0.049 0.000 2.550 7 S HA 0.914 5.382 4.470 -0.003 0.000 0.270 7 S C -0.148 174.444 174.600 -0.013 0.000 1.145 7 S CA -0.340 57.867 58.200 0.012 0.000 0.852 7 S CB 1.943 65.142 63.200 -0.001 0.000 1.119 7 S HN 0.897 nan 8.310 nan 0.000 0.465 8 G N 0.896 109.678 108.800 -0.030 0.000 2.369 8 G HA2 0.398 4.356 3.960 -0.003 0.000 0.293 8 G HA3 0.398 4.356 3.960 -0.003 0.000 0.293 8 G C -3.401 171.463 174.900 -0.060 0.000 1.301 8 G CA -0.481 44.583 45.100 -0.061 0.000 0.913 8 G HN 0.820 nan 8.290 nan 0.000 0.540 9 P HA 0.333 nan 4.420 nan 0.000 0.271 9 P C 0.746 178.008 177.300 -0.064 0.000 1.216 9 P CA 0.673 63.734 63.100 -0.065 0.000 0.771 9 P CB 1.323 32.978 31.700 -0.075 0.000 0.864 10 G N 1.845 110.621 108.800 -0.040 0.000 2.986 10 G HA2 0.260 4.218 3.960 -0.003 0.000 0.213 10 G HA3 0.260 4.218 3.960 -0.003 0.000 0.213 10 G C -0.138 174.749 174.900 -0.021 0.000 1.156 10 G CA 0.165 45.250 45.100 -0.026 0.000 0.763 10 G HN 0.470 nan 8.290 nan 0.000 0.547 11 L N 1.217 122.423 121.223 -0.028 0.000 2.431 11 L HA 0.833 5.172 4.340 -0.003 0.000 0.266 11 L C -0.615 176.235 176.870 -0.032 0.000 0.978 11 L CA -1.008 53.819 54.840 -0.023 0.000 0.822 11 L CB 1.971 44.021 42.059 -0.015 0.000 1.310 11 L HN 0.252 nan 8.230 nan 0.000 0.409 12 M N 1.789 121.372 119.600 -0.029 0.000 2.773 12 M HA 0.557 5.035 4.480 -0.003 0.000 0.270 12 M C -1.795 174.490 176.300 -0.025 0.000 1.238 12 M CA -0.949 54.330 55.300 -0.035 0.000 0.832 12 M CB 2.182 34.751 32.600 -0.052 0.000 1.672 12 M HN 0.401 nan 8.290 nan 0.000 0.480 13 K N 0.558 120.943 120.400 -0.026 0.000 2.123 13 K HA 0.686 5.004 4.320 -0.003 0.000 0.248 13 K C -2.693 173.894 176.600 -0.021 0.000 0.969 13 K CA -1.639 54.636 56.287 -0.020 0.000 0.882 13 K CB 1.359 33.849 32.500 -0.018 0.000 1.080 13 K HN 0.350 nan 8.250 nan 0.000 0.441 14 P HA -0.140 nan 4.420 nan 0.000 0.267 14 P C 0.118 177.407 177.300 -0.019 0.000 1.201 14 P CA 0.742 63.834 63.100 -0.014 0.000 0.775 14 P CB 0.569 32.264 31.700 -0.008 0.000 0.854 15 S N -1.165 114.523 115.700 -0.020 0.000 2.361 15 S HA -0.250 4.218 4.470 -0.003 0.000 0.247 15 S C 0.389 174.969 174.600 -0.032 0.000 1.218 15 S CA 1.057 59.243 58.200 -0.024 0.000 1.502 15 S CB -2.248 60.940 63.200 -0.020 0.000 1.893 15 S HN 0.574 nan 8.310 nan 0.000 0.610 16 E N 1.580 121.758 120.200 -0.037 0.000 2.397 16 E HA 0.442 4.790 4.350 -0.003 0.000 0.254 16 E C -0.242 176.321 176.600 -0.061 0.000 1.231 16 E CA 0.225 56.597 56.400 -0.047 0.000 0.954 16 E CB 0.284 29.956 29.700 -0.048 0.000 1.024 16 E HN 0.366 nan 8.360 nan 0.000 0.481 17 T N 1.564 116.074 114.554 -0.073 0.000 2.749 17 T HA 0.278 4.626 4.350 -0.003 0.000 0.287 17 T C -0.200 174.426 174.700 -0.123 0.000 0.970 17 T CA -0.505 61.539 62.100 -0.094 0.000 0.980 17 T CB 0.289 69.104 68.868 -0.089 0.000 0.924 17 T HN 0.253 nan 8.240 nan 0.000 0.456 18 L N 3.426 124.552 121.223 -0.161 0.000 2.331 18 L HA 0.612 4.950 4.340 -0.003 0.000 0.278 18 L C 0.007 176.724 176.870 -0.255 0.000 1.106 18 L CA -0.001 54.704 54.840 -0.225 0.000 0.824 18 L CB 0.914 42.791 42.059 -0.304 0.000 1.142 18 L HN 0.579 nan 8.230 nan 0.000 0.443 19 S N 5.908 121.460 115.700 -0.247 0.000 2.733 19 S HA 0.640 5.108 4.470 -0.003 0.000 0.294 19 S C -0.937 173.510 174.600 -0.256 0.000 1.149 19 S CA -0.667 57.390 58.200 -0.238 0.000 1.034 19 S CB 0.634 63.740 63.200 -0.156 0.000 1.015 19 S HN 0.621 nan 8.310 nan 0.000 0.486 20 L N 3.270 124.287 121.223 -0.343 0.000 2.354 20 L HA 0.717 5.055 4.340 -0.003 0.000 0.264 20 L C -0.280 176.481 176.870 -0.183 0.000 1.008 20 L CA -0.748 53.916 54.840 -0.293 0.000 0.819 20 L CB 2.708 44.488 42.059 -0.465 0.000 1.339 20 L HN 0.518 nan 8.230 nan 0.000 0.420 21 T N -0.251 114.297 114.554 -0.010 0.000 2.906 21 T HA 0.368 4.716 4.350 -0.003 0.000 0.295 21 T C -1.435 173.302 174.700 0.062 0.000 1.061 21 T CA -0.437 61.685 62.100 0.036 0.000 1.000 21 T CB 2.055 70.911 68.868 -0.019 0.000 1.103 21 T HN 0.633 nan 8.240 nan 0.000 0.486 22 c N 2.618 121.118 118.600 -0.166 0.000 2.383 22 c HA 0.706 5.274 4.570 -0.003 0.000 0.330 22 c C -0.101 173.836 174.090 -0.254 0.000 1.168 22 c CA -0.384 55.737 56.329 -0.347 0.000 1.374 22 c CB -0.676 41.244 42.510 -0.985 0.000 2.014 22 c HN 0.884 nan 8.230 nan 0.000 0.439 23 S N 3.724 119.349 115.700 -0.126 0.000 2.525 23 S HA 0.664 5.132 4.470 -0.003 0.000 0.278 23 S C -0.299 174.247 174.600 -0.090 0.000 1.234 23 S CA -0.476 57.671 58.200 -0.088 0.000 1.058 23 S CB 1.476 64.645 63.200 -0.051 0.000 0.983 23 S HN 0.701 nan 8.310 nan 0.000 0.495 24 V N 2.983 122.827 119.914 -0.116 0.000 2.581 24 V HA 0.733 4.851 4.120 -0.003 0.000 0.303 24 V C -0.092 175.956 176.094 -0.077 0.000 1.041 24 V CA -0.675 61.550 62.300 -0.125 0.000 0.907 24 V CB 1.902 33.556 31.823 -0.280 0.000 0.994 24 V HN 0.990 nan 8.190 nan 0.000 0.442 25 S N 1.575 117.243 115.700 -0.053 0.000 2.548 25 S HA 0.790 5.259 4.470 -0.003 0.000 0.286 25 S C 0.540 175.114 174.600 -0.042 0.000 1.098 25 S CA 0.030 58.208 58.200 -0.037 0.000 0.930 25 S CB 1.818 65.004 63.200 -0.025 0.000 1.070 25 S HN 2.146 nan 8.310 nan 0.000 0.480 26 G N 0.571 109.355 108.800 -0.028 0.000 2.176 26 G HA2 -0.126 3.832 3.960 -0.003 0.000 0.253 26 G HA3 -0.126 3.832 3.960 -0.003 0.000 0.253 26 G C -0.348 174.543 174.900 -0.015 0.000 0.979 26 G CA 0.455 45.535 45.100 -0.033 0.000 0.641 26 G HN 1.049 nan 8.290 nan 0.000 0.530 27 D N -0.934 119.476 120.400 0.016 0.000 2.609 27 D HA 0.582 5.220 4.640 -0.003 0.000 0.239 27 D C -0.585 175.778 176.300 0.104 0.000 1.229 27 D CA 0.389 54.440 54.000 0.086 0.000 0.808 27 D CB 1.446 42.347 40.800 0.167 0.000 1.448 27 D HN 0.191 nan 8.370 nan 0.000 0.433 28 S N 1.925 117.717 115.700 0.153 0.000 2.475 28 S HA 0.257 4.726 4.470 -0.003 0.000 0.281 28 S C 1.305 176.051 174.600 0.244 0.000 1.198 28 S CA -0.561 57.724 58.200 0.141 0.000 1.063 28 S CB 0.523 63.797 63.200 0.124 0.000 0.972 28 S HN 0.451 nan 8.310 nan 0.000 0.486 29 I N 5.626 126.255 120.570 0.099 0.000 2.361 29 I HA -0.098 4.070 4.170 -0.003 0.000 0.251 29 I C 2.420 178.731 176.117 0.323 0.000 1.133 29 I CA 1.417 62.739 61.300 0.036 0.000 1.413 29 I CB -0.114 37.773 38.000 -0.187 0.000 1.073 29 I HN 0.803 nan 8.210 nan 0.000 0.424 30 R N -0.842 119.789 120.500 0.218 0.000 2.323 30 R HA 0.159 4.497 4.340 -0.003 0.000 0.198 30 R C 0.779 177.235 176.300 0.260 0.000 0.988 30 R CA 0.710 56.941 56.100 0.219 0.000 1.041 30 R CB -0.566 29.818 30.300 0.140 0.000 0.926 30 R HN 0.224 nan 8.270 nan 0.000 0.476 31 S N 0.626 116.496 115.700 0.283 0.000 2.581 31 S HA 0.221 4.689 4.470 -0.003 0.000 0.245 31 S C -1.016 173.689 174.600 0.176 0.000 1.115 31 S CA -0.555 57.770 58.200 0.209 0.000 1.093 31 S CB 0.194 63.481 63.200 0.145 0.000 0.853 31 S HN 0.339 nan 8.310 nan 0.000 0.479 32 D N -0.486 120.043 120.400 0.214 0.000 2.827 32 D HA 0.196 4.834 4.640 -0.003 0.000 0.336 32 D C -1.945 174.279 176.300 -0.126 0.000 1.374 32 D CA -0.362 53.592 54.000 -0.076 0.000 0.794 32 D CB 0.781 41.332 40.800 -0.416 0.000 1.364 32 D HN -0.026 nan 8.370 nan 0.000 0.464 33 Y N -0.154 119.693 120.300 -0.755 0.000 2.387 33 Y HA 0.563 5.111 4.550 -0.003 0.000 0.336 33 Y C -0.260 175.058 175.900 -0.970 0.000 1.067 33 Y CA -0.834 56.900 58.100 -0.610 0.000 1.114 33 Y CB 1.069 39.174 38.460 -0.592 0.000 1.208 33 Y HN 0.178 nan 8.280 nan 0.000 0.458 34 W N 0.638 121.940 121.300 0.003 0.000 2.819 34 W HA 0.721 5.380 4.660 -0.002 0.000 0.337 34 W C -0.608 175.875 176.519 -0.060 0.000 1.077 34 W CA -0.523 56.614 57.345 -0.348 0.000 1.226 34 W CB 1.999 30.630 29.460 -1.381 0.000 1.419 34 W HN 0.276 nan 8.180 nan 0.000 0.502 35 S N 0.523 116.341 115.700 0.197 0.000 2.634 35 S HA 0.626 5.094 4.470 -0.003 0.000 0.296 35 S C -1.797 172.847 174.600 0.074 0.000 1.104 35 S CA -0.814 57.565 58.200 0.298 0.000 0.920 35 S CB 1.528 64.872 63.200 0.241 0.000 1.111 35 S HN 0.430 nan 8.310 nan 0.000 0.493 36 W N 0.926 122.362 121.300 0.226 0.000 2.785 36 W HA 0.740 5.398 4.660 -0.003 0.000 0.333 36 W C -1.128 175.336 176.519 -0.091 0.000 1.062 36 W CA -0.362 57.066 57.345 0.139 0.000 1.233 36 W CB 1.096 30.712 29.460 0.259 0.000 1.413 36 W HN 0.363 nan 8.180 nan 0.000 0.489 37 I N 2.914 123.585 120.570 0.169 0.000 2.865 37 I HA 0.562 4.731 4.170 -0.003 0.000 0.302 37 I C -0.399 175.854 176.117 0.228 0.000 1.140 37 I CA -1.197 60.133 61.300 0.050 0.000 1.021 37 I CB 2.205 40.145 38.000 -0.100 0.000 1.233 37 I HN 0.422 nan 8.210 nan 0.000 0.427 38 R N 3.028 123.586 120.500 0.098 0.000 2.837 38 R HA 0.804 5.142 4.340 -0.003 0.000 0.271 38 R C -1.357 174.945 176.300 0.004 0.000 0.993 38 R CA -0.956 55.075 56.100 -0.114 0.000 0.931 38 R CB 1.966 31.886 30.300 -0.633 0.000 1.206 38 R HN 0.619 nan 8.270 nan 0.000 0.474 39 Q N 1.900 121.680 119.800 -0.034 0.000 2.414 39 Q HA 0.396 4.734 4.340 -0.003 0.000 0.256 39 Q C -2.628 173.361 176.000 -0.017 0.000 0.974 39 Q CA -2.073 53.758 55.803 0.046 0.000 0.723 39 Q CB 2.464 31.318 28.738 0.193 0.000 1.281 39 Q HN 0.442 nan 8.270 nan 0.000 0.470 40 P HA 0.123 nan 4.420 nan 0.000 0.269 40 P C -2.564 174.742 177.300 0.010 0.000 1.209 40 P CA -0.932 62.160 63.100 -0.012 0.000 0.776 40 P CB 0.169 31.869 31.700 0.000 0.000 0.876 41 P HA -0.007 nan 4.420 nan 0.000 0.262 41 P C 0.971 178.283 177.300 0.020 0.000 1.182 41 P CA 1.496 64.608 63.100 0.019 0.000 0.761 41 P CB -0.071 31.640 31.700 0.018 0.000 0.795 42 G N 1.395 110.209 108.800 0.022 0.000 2.168 42 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.263 42 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.263 42 G C 0.307 175.219 174.900 0.020 0.000 0.977 42 G CA 0.260 45.371 45.100 0.019 0.000 0.659 42 G HN 0.487 nan 8.290 nan 0.000 0.533 43 K N -0.230 120.185 120.400 0.024 0.000 2.312 43 K HA 0.736 5.054 4.320 -0.003 0.000 0.236 43 K C 1.106 177.725 176.600 0.032 0.000 1.079 43 K CA -0.088 56.214 56.287 0.025 0.000 0.900 43 K CB 0.595 33.110 32.500 0.025 0.000 1.297 43 K HN 0.274 nan 8.250 nan 0.000 0.498 44 G N 0.053 108.873 108.800 0.034 0.000 2.531 44 G HA2 0.488 4.446 3.960 -0.003 0.000 0.253 44 G HA3 0.488 4.446 3.960 -0.003 0.000 0.253 44 G C -0.545 174.391 174.900 0.060 0.000 1.439 44 G CA -0.618 44.506 45.100 0.040 0.000 1.056 44 G HN 0.261 nan 8.290 nan 0.000 0.555 45 L N -0.190 121.076 121.223 0.073 0.000 2.322 45 L HA 0.513 4.851 4.340 -0.003 0.000 0.279 45 L C -0.063 176.882 176.870 0.125 0.000 1.036 45 L CA -0.447 54.459 54.840 0.110 0.000 0.807 45 L CB 1.888 44.022 42.059 0.126 0.000 1.226 45 L HN 0.585 nan 8.230 nan 0.000 0.433 46 E N 2.094 122.373 120.200 0.133 0.000 2.218 46 E HA 0.225 4.573 4.350 -0.003 0.000 0.263 46 E C -1.652 175.070 176.600 0.204 0.000 0.879 46 E CA -0.721 55.773 56.400 0.156 0.000 0.762 46 E CB 1.377 31.144 29.700 0.111 0.000 1.166 46 E HN 0.461 nan 8.360 nan 0.000 0.415 47 Y N 4.848 125.244 120.300 0.159 0.000 2.465 47 Y HA 0.105 4.653 4.550 -0.002 0.000 0.331 47 Y C 0.993 177.031 175.900 0.230 0.000 1.102 47 Y CA 0.280 58.498 58.100 0.196 0.000 1.358 47 Y CB 0.627 39.193 38.460 0.176 0.000 1.213 47 Y HN 0.652 nan 8.280 nan 0.000 0.525 48 I N 3.126 123.923 120.570 0.377 0.000 2.339 48 I HA 0.155 4.323 4.170 -0.003 0.000 0.245 48 I C 1.234 177.678 176.117 0.544 0.000 1.096 48 I CA 1.081 62.624 61.300 0.405 0.000 1.408 48 I CB -0.104 38.121 38.000 0.375 0.000 1.092 48 I HN 0.764 nan 8.210 nan 0.000 0.423 49 G N -0.681 108.538 108.800 0.698 0.000 2.320 49 G HA2 0.347 4.305 3.960 -0.003 0.000 0.297 49 G HA3 0.347 4.305 3.960 -0.003 0.000 0.297 49 G C -2.004 173.380 174.900 0.807 0.000 1.344 49 G CA -0.405 45.124 45.100 0.716 0.000 0.851 49 G HN 0.155 nan 8.290 nan 0.000 0.567 50 Y N -2.365 118.243 120.300 0.514 0.000 2.638 50 Y HA 0.825 5.373 4.550 -0.003 0.000 0.335 50 Y C -1.426 174.659 175.900 0.308 0.000 1.155 50 Y CA -1.575 56.795 58.100 0.450 0.000 1.046 50 Y CB 1.693 40.447 38.460 0.490 0.000 1.303 50 Y HN 1.133 nan 8.280 nan 0.000 0.460 51 V N 2.918 123.041 119.914 0.349 0.000 2.604 51 V HA 0.764 4.882 4.120 -0.003 0.000 0.305 51 V C -0.435 175.694 176.094 0.058 0.000 1.043 51 V CA 0.059 62.428 62.300 0.114 0.000 0.888 51 V CB 1.635 33.553 31.823 0.159 0.000 0.995 51 V HN 1.236 nan 8.190 nan 0.000 0.429 52 S N 5.281 120.863 115.700 -0.196 0.000 2.738 52 S HA 0.330 4.798 4.470 -0.003 0.000 0.284 52 S C 0.863 175.209 174.600 -0.422 0.000 1.146 52 S CA 0.225 57.970 58.200 -0.757 0.000 0.997 52 S CB 0.728 63.324 63.200 -1.007 0.000 1.081 52 S HN 1.175 nan 8.310 nan 0.000 0.553 53 Y N 0.782 120.745 120.300 -0.561 0.000 2.207 53 Y HA -0.074 4.474 4.550 -0.003 0.000 0.287 53 Y C 1.870 177.715 175.900 -0.093 0.000 1.156 53 Y CA 1.877 59.900 58.100 -0.128 0.000 1.182 53 Y CB -0.971 37.508 38.460 0.032 0.000 0.979 53 Y HN 0.487 nan 8.280 nan 0.000 0.521 54 S N -0.026 115.227 115.700 -0.746 0.000 2.607 54 S HA 0.203 4.671 4.470 -0.003 0.000 0.224 54 S C 1.694 176.075 174.600 -0.364 0.000 0.969 54 S CA 0.779 58.540 58.200 -0.731 0.000 0.927 54 S CB -0.559 62.347 63.200 -0.490 0.000 0.772 54 S HN 1.005 nan 8.310 nan 0.000 0.533 55 G N 1.806 110.448 108.800 -0.264 0.000 2.175 55 G HA2 -0.287 3.671 3.960 -0.003 0.000 0.244 55 G HA3 -0.287 3.671 3.960 -0.003 0.000 0.244 55 G C 0.273 175.068 174.900 -0.176 0.000 0.982 55 G CA 0.170 45.174 45.100 -0.161 0.000 0.641 55 G HN 0.800 nan 8.290 nan 0.000 0.527 56 S N 0.595 116.157 115.700 -0.230 0.000 2.562 56 S HA 0.591 5.059 4.470 -0.003 0.000 0.281 56 S C 0.386 174.737 174.600 -0.414 0.000 1.333 56 S CA 0.786 58.797 58.200 -0.314 0.000 1.052 56 S CB 1.564 64.581 63.200 -0.307 0.000 0.884 56 S HN 1.567 nan 8.310 nan 0.000 0.506 57 T N -0.277 113.902 114.554 -0.625 0.000 2.932 57 T HA 0.669 5.017 4.350 -0.003 0.000 0.289 57 T C -1.325 172.619 174.700 -1.261 0.000 1.039 57 T CA -0.764 60.874 62.100 -0.770 0.000 1.024 57 T CB 0.657 69.084 68.868 -0.735 0.000 1.090 57 T HN 0.658 nan 8.240 nan 0.000 0.496 58 Y N 0.110 119.873 120.300 -0.895 0.000 2.354 58 Y HA 0.564 5.112 4.550 -0.002 0.000 0.330 58 Y C -1.246 174.399 175.900 -0.424 0.000 1.011 58 Y CA -1.174 56.547 58.100 -0.632 0.000 1.099 58 Y CB 1.635 39.716 38.460 -0.631 0.000 1.179 58 Y HN 0.628 nan 8.280 nan 0.000 0.442 59 Y N 1.035 121.402 120.300 0.112 0.000 2.485 59 Y HA 0.313 4.861 4.550 -0.003 0.000 0.345 59 Y C 0.106 176.100 175.900 0.157 0.000 0.998 59 Y CA -1.975 56.212 58.100 0.145 0.000 1.059 59 Y CB 1.259 39.769 38.460 0.085 0.000 1.234 59 Y HN 0.540 nan 8.280 nan 0.000 0.461 60 N N 3.372 122.290 118.700 0.362 0.000 2.475 60 N HA 0.095 4.834 4.740 -0.003 0.000 0.267 60 N C -2.019 173.609 175.510 0.196 0.000 1.169 60 N CA -1.446 51.758 53.050 0.257 0.000 0.947 60 N CB 1.316 39.957 38.487 0.255 0.000 1.061 60 N HN 0.333 nan 8.380 nan 0.000 0.466 61 P HA -0.101 nan 4.420 nan 0.000 0.225 61 P C 1.147 178.504 177.300 0.094 0.000 1.148 61 P CA 0.997 64.166 63.100 0.115 0.000 0.779 61 P CB 0.138 31.895 31.700 0.096 0.000 0.780 62 S N -0.995 114.766 115.700 0.102 0.000 2.474 62 S HA -0.073 4.395 4.470 -0.003 0.000 0.235 62 S C 1.617 176.262 174.600 0.074 0.000 0.997 62 S CA 0.849 59.099 58.200 0.084 0.000 0.949 62 S CB -1.340 61.915 63.200 0.093 0.000 0.766 62 S HN 0.151 nan 8.310 nan 0.000 0.517 63 L N 0.052 121.324 121.223 0.081 0.000 2.591 63 L HA 0.220 4.558 4.340 -0.003 0.000 0.228 63 L C 0.093 176.978 176.870 0.026 0.000 1.133 63 L CA -0.192 54.681 54.840 0.054 0.000 0.880 63 L CB -0.369 41.722 42.059 0.054 0.000 1.033 63 L HN 0.098 nan 8.230 nan 0.000 0.450 64 K N 0.321 120.743 120.400 0.037 0.000 3.653 64 K HA -0.194 4.124 4.320 -0.003 0.000 0.275 64 K C 0.643 177.245 176.600 0.002 0.000 0.962 64 K CA 0.768 57.069 56.287 0.023 0.000 0.773 64 K CB -2.363 30.147 32.500 0.017 0.000 1.463 64 K HN 0.381 nan 8.250 nan 0.000 0.450 65 S N -1.549 114.151 115.700 0.001 0.000 3.477 65 S HA -0.268 4.200 4.470 -0.003 0.000 0.357 65 S C 1.081 175.631 174.600 -0.084 0.000 1.083 65 S CA 1.657 59.837 58.200 -0.033 0.000 1.042 65 S CB -0.698 62.499 63.200 -0.004 0.000 0.911 65 S HN 0.584 nan 8.310 nan 0.000 0.490 66 R N -0.443 119.998 120.500 -0.098 0.000 2.312 66 R HA 0.279 4.617 4.340 -0.003 0.000 0.205 66 R C 0.625 176.818 176.300 -0.179 0.000 0.904 66 R CA 0.252 56.287 56.100 -0.108 0.000 1.052 66 R CB 0.602 30.862 30.300 -0.067 0.000 1.014 66 R HN 0.377 nan 8.270 nan 0.000 0.503 67 V N 0.938 120.676 119.914 -0.293 0.000 2.532 67 V HA 0.404 4.522 4.120 -0.003 0.000 0.295 67 V C -0.771 174.911 176.094 -0.687 0.000 1.041 67 V CA -0.036 62.009 62.300 -0.426 0.000 0.926 67 V CB 1.994 33.586 31.823 -0.385 0.000 0.992 67 V HN 0.027 nan 8.190 nan 0.000 0.457 68 T N 7.647 121.955 114.554 -0.409 0.000 2.881 68 T HA 0.614 4.962 4.350 -0.003 0.000 0.290 68 T C -0.733 173.968 174.700 0.002 0.000 1.000 68 T CA -0.150 61.823 62.100 -0.212 0.000 0.978 68 T CB 1.198 70.007 68.868 -0.100 0.000 0.997 68 T HN 0.551 nan 8.240 nan 0.000 0.443 69 I N 3.067 123.804 120.570 0.279 0.000 2.466 69 I HA 0.579 4.747 4.170 -0.003 0.000 0.289 69 I C 0.011 176.315 176.117 0.312 0.000 1.026 69 I CA -0.598 60.925 61.300 0.373 0.000 1.078 69 I CB 1.957 40.313 38.000 0.594 0.000 1.249 69 I HN 0.742 nan 8.210 nan 0.000 0.429 70 S N 4.969 120.845 115.700 0.293 0.000 2.627 70 S HA 0.807 5.275 4.470 -0.003 0.000 0.283 70 S C -1.066 173.692 174.600 0.263 0.000 1.127 70 S CA -0.758 57.572 58.200 0.217 0.000 0.863 70 S CB 2.308 65.585 63.200 0.129 0.000 1.121 70 S HN 0.231 nan 8.310 nan 0.000 0.479 71 V N 1.543 121.568 119.914 0.184 0.000 2.555 71 V HA 0.552 4.670 4.120 -0.003 0.000 0.302 71 V C -0.988 175.169 176.094 0.106 0.000 1.038 71 V CA -0.535 61.868 62.300 0.172 0.000 0.887 71 V CB 1.778 33.684 31.823 0.138 0.000 0.991 71 V HN 1.030 nan 8.190 nan 0.000 0.434 72 D N 2.703 123.158 120.400 0.092 0.000 2.460 72 D HA 0.148 4.786 4.640 -0.003 0.000 0.268 72 D C 1.398 177.720 176.300 0.038 0.000 1.153 72 D CA 0.133 54.165 54.000 0.053 0.000 0.929 72 D CB 1.467 42.292 40.800 0.043 0.000 1.015 72 D HN 0.719 nan 8.370 nan 0.000 0.502 73 T N -0.614 113.963 114.554 0.038 0.000 2.803 73 T HA -0.229 4.119 4.350 -0.003 0.000 0.269 73 T C 1.859 176.572 174.700 0.023 0.000 1.052 73 T CA 1.703 63.823 62.100 0.033 0.000 1.136 73 T CB -0.235 68.657 68.868 0.041 0.000 0.864 73 T HN 0.231 nan 8.240 nan 0.000 0.467 74 S N 1.910 117.622 115.700 0.019 0.000 2.399 74 S HA -0.023 4.445 4.470 -0.003 0.000 0.231 74 S C 1.723 176.328 174.600 0.008 0.000 1.022 74 S CA 0.584 58.792 58.200 0.014 0.000 0.983 74 S CB -0.399 62.808 63.200 0.012 0.000 0.803 74 S HN 0.666 nan 8.310 nan 0.000 0.480 75 K N 1.308 121.712 120.400 0.006 0.000 2.455 75 K HA 0.275 4.593 4.320 -0.003 0.000 0.206 75 K C -0.133 176.460 176.600 -0.012 0.000 1.027 75 K CA -0.213 56.072 56.287 -0.002 0.000 1.113 75 K CB -0.184 32.315 32.500 -0.002 0.000 0.850 75 K HN 0.425 nan 8.250 nan 0.000 0.503 76 N N 2.571 121.263 118.700 -0.013 0.000 2.705 76 N HA -0.221 4.517 4.740 -0.003 0.000 0.255 76 N C -1.122 174.345 175.510 -0.071 0.000 1.008 76 N CA 0.656 53.681 53.050 -0.041 0.000 0.742 76 N CB -0.321 38.142 38.487 -0.040 0.000 0.906 76 N HN 0.456 nan 8.380 nan 0.000 0.541 77 R N -0.595 119.885 120.500 -0.035 0.000 2.734 77 R HA 0.616 4.954 4.340 -0.003 0.000 0.271 77 R C -1.083 175.293 176.300 0.126 0.000 1.021 77 R CA -0.957 55.140 56.100 -0.005 0.000 0.893 77 R CB 0.882 31.165 30.300 -0.029 0.000 1.244 77 R HN 0.049 nan 8.270 nan 0.000 0.464 78 F N -1.013 118.890 119.950 -0.078 0.000 2.603 78 F HA 0.842 5.368 4.527 -0.003 0.000 0.317 78 F C -1.061 174.891 175.800 0.254 0.000 1.066 78 F CA -0.997 57.043 58.000 0.068 0.000 0.941 78 F CB 2.485 41.526 39.000 0.068 0.000 1.291 78 F HN 0.519 nan 8.300 nan 0.000 0.472 79 S N 1.428 117.314 115.700 0.310 0.000 2.671 79 S HA 0.789 5.257 4.470 -0.003 0.000 0.299 79 S C -1.725 172.942 174.600 0.110 0.000 1.116 79 S CA -0.724 57.573 58.200 0.162 0.000 0.912 79 S CB 2.075 65.297 63.200 0.037 0.000 1.130 79 S HN 0.799 nan 8.310 nan 0.000 0.501 80 L N 1.779 122.779 121.223 -0.372 0.000 2.408 80 L HA 0.712 5.050 4.340 -0.003 0.000 0.268 80 L C -1.077 175.523 176.870 -0.450 0.000 0.986 80 L CA -0.235 54.205 54.840 -0.666 0.000 0.820 80 L CB 1.583 42.626 42.059 -1.694 0.000 1.303 80 L HN 0.663 nan 8.230 nan 0.000 0.411 81 K N 4.670 124.882 120.400 -0.314 0.000 2.471 81 K HA 0.643 4.961 4.320 -0.003 0.000 0.252 81 K C -2.155 174.302 176.600 -0.238 0.000 0.938 81 K CA -0.717 55.422 56.287 -0.247 0.000 0.796 81 K CB 1.700 34.102 32.500 -0.163 0.000 1.161 81 K HN 0.630 nan 8.250 nan 0.000 0.425 82 L N 4.858 125.945 121.223 -0.226 0.000 2.415 82 L HA 0.442 4.781 4.340 -0.003 0.000 0.268 82 L C -1.150 175.640 176.870 -0.134 0.000 0.984 82 L CA -0.382 54.353 54.840 -0.175 0.000 0.853 82 L CB 1.225 43.183 42.059 -0.167 0.000 1.215 82 L HN 0.646 nan 8.230 nan 0.000 0.419 83 N N 1.919 120.553 118.700 -0.110 0.000 2.408 83 N HA 0.238 4.976 4.740 -0.003 0.000 0.260 83 N C 0.071 175.544 175.510 -0.062 0.000 1.242 83 N CA 0.073 53.072 53.050 -0.084 0.000 0.959 83 N CB 0.865 39.307 38.487 -0.075 0.000 1.201 83 N HN 0.608 nan 8.380 nan 0.000 0.511 84 S N -1.135 114.535 115.700 -0.050 0.000 3.336 84 S HA -0.124 4.344 4.470 -0.003 0.000 0.362 84 S C 0.478 175.062 174.600 -0.028 0.000 0.941 84 S CA 0.273 58.452 58.200 -0.035 0.000 1.297 84 S CB -1.933 61.250 63.200 -0.028 0.000 0.915 84 S HN 0.507 nan 8.310 nan 0.000 0.527 85 V N -0.372 119.522 119.914 -0.032 0.000 2.881 85 V HA 0.855 4.973 4.120 -0.003 0.000 0.303 85 V C 0.651 176.741 176.094 -0.007 0.000 1.070 85 V CA 0.187 62.475 62.300 -0.019 0.000 1.074 85 V CB 1.525 33.329 31.823 -0.030 0.000 1.012 85 V HN 0.788 nan 8.190 nan 0.000 0.482 86 T N -0.010 114.547 114.554 0.006 0.000 2.716 86 T HA 0.745 5.093 4.350 -0.003 0.000 0.286 86 T C 1.036 175.748 174.700 0.019 0.000 1.052 86 T CA -0.240 61.865 62.100 0.009 0.000 1.024 86 T CB 1.341 70.215 68.868 0.010 0.000 1.349 86 T HN 1.341 nan 8.240 nan 0.000 0.525 87 A N 0.236 123.066 122.820 0.018 0.000 2.024 87 A HA 0.227 4.545 4.320 -0.003 0.000 0.220 87 A C 2.457 180.059 177.584 0.031 0.000 1.164 87 A CA 2.011 54.061 52.037 0.022 0.000 0.643 87 A CB -1.559 17.451 19.000 0.017 0.000 0.806 87 A HN 1.392 nan 8.150 nan 0.000 0.451 88 A N -0.567 122.272 122.820 0.030 0.000 2.178 88 A HA -0.096 4.222 4.320 -0.003 0.000 0.218 88 A C 1.337 178.951 177.584 0.050 0.000 1.157 88 A CA 1.482 53.540 52.037 0.035 0.000 0.689 88 A CB -0.282 18.736 19.000 0.031 0.000 0.787 88 A HN 0.488 nan 8.150 nan 0.000 0.465 89 D N -0.688 119.751 120.400 0.066 0.000 2.349 89 D HA 0.044 4.682 4.640 -0.003 0.000 0.214 89 D C -0.076 176.324 176.300 0.165 0.000 1.063 89 D CA 0.315 54.388 54.000 0.121 0.000 0.847 89 D CB 0.074 40.945 40.800 0.118 0.000 0.933 89 D HN 0.165 nan 8.370 nan 0.000 0.513 90 T N 1.580 116.194 114.554 0.100 0.000 2.853 90 T HA 0.446 4.794 4.350 -0.003 0.000 0.298 90 T C 0.184 174.929 174.700 0.076 0.000 0.978 90 T CA 0.098 62.258 62.100 0.100 0.000 1.152 90 T CB 0.892 69.793 68.868 0.055 0.000 0.914 90 T HN 0.178 nan 8.240 nan 0.000 0.539 91 A N 3.069 125.950 122.820 0.101 0.000 2.489 91 A HA 0.537 4.855 4.320 -0.003 0.000 0.293 91 A C -1.156 176.415 177.584 -0.022 0.000 1.004 91 A CA -0.812 51.203 52.037 -0.038 0.000 0.626 91 A CB 0.626 19.488 19.000 -0.229 0.000 1.345 91 A HN 0.555 nan 8.150 nan 0.000 0.447 92 V N 1.374 121.224 119.914 -0.108 0.000 2.461 92 V HA 0.391 4.510 4.120 -0.003 0.000 0.275 92 V C -0.954 174.979 176.094 -0.268 0.000 1.047 92 V CA 0.175 62.388 62.300 -0.144 0.000 0.955 92 V CB 0.343 32.028 31.823 -0.230 0.000 0.988 92 V HN 0.633 nan 8.190 nan 0.000 0.471 93 Y N 4.655 124.864 120.300 -0.150 0.000 2.330 93 Y HA 0.569 5.117 4.550 -0.003 0.000 0.336 93 Y C -0.236 175.676 175.900 0.019 0.000 1.036 93 Y CA -0.524 57.591 58.100 0.025 0.000 1.125 93 Y CB 1.155 39.672 38.460 0.094 0.000 1.194 93 Y HN 0.525 nan 8.280 nan 0.000 0.469 94 Y N 1.810 122.348 120.300 0.398 0.000 2.429 94 Y HA 0.559 5.108 4.550 -0.003 0.000 0.342 94 Y C 0.057 175.975 175.900 0.030 0.000 1.004 94 Y CA -1.194 57.067 58.100 0.269 0.000 1.075 94 Y CB 1.398 40.072 38.460 0.356 0.000 1.214 94 Y HN 0.688 nan 8.280 nan 0.000 0.455 95 c N 0.782 119.318 118.600 -0.106 0.000 2.454 95 c HA 1.040 5.608 4.570 -0.003 0.000 0.336 95 c C -0.118 173.802 174.090 -0.284 0.000 1.189 95 c CA -0.768 55.208 56.329 -0.589 0.000 1.877 95 c CB 0.472 42.312 42.510 -1.116 0.000 2.348 95 c HN 1.048 nan 8.230 nan 0.000 0.508 96 A N 1.806 124.463 122.820 -0.272 0.000 2.610 96 A HA 0.805 5.123 4.320 -0.003 0.000 0.291 96 A C -0.873 176.697 177.584 -0.024 0.000 1.086 96 A CA -0.744 51.081 52.037 -0.353 0.000 0.677 96 A CB 1.004 19.183 19.000 -1.370 0.000 1.278 96 A HN 1.056 nan 8.150 nan 0.000 0.414 97 R N 0.192 120.719 120.500 0.044 0.000 2.490 97 R HA 0.212 4.551 4.340 -0.003 0.000 0.280 97 R C 0.819 177.038 176.300 -0.134 0.000 1.077 97 R CA -0.191 55.852 56.100 -0.096 0.000 1.065 97 R CB 0.344 30.610 30.300 -0.057 0.000 1.003 97 R HN 0.872 nan 8.270 nan 0.000 0.470 98 W N 4.302 125.376 121.300 -0.377 0.000 2.305 98 W HA -0.295 4.363 4.660 -0.004 0.000 0.308 98 W C 1.304 177.679 176.519 -0.240 0.000 1.226 98 W CA 2.292 59.467 57.345 -0.284 0.000 1.253 98 W CB -0.012 29.249 29.460 -0.331 0.000 1.146 98 W HN 0.835 nan 8.180 nan 0.000 0.507 99 D N -1.474 118.854 120.400 -0.120 0.000 2.350 99 D HA 0.030 4.668 4.640 -0.003 0.000 0.216 99 D C 1.938 178.095 176.300 -0.238 0.000 0.968 99 D CA 1.435 55.264 54.000 -0.285 0.000 0.894 99 D CB -0.874 39.868 40.800 -0.097 0.000 0.909 99 D HN 0.335 nan 8.370 nan 0.000 0.520 100 G N 0.116 108.836 108.800 -0.132 0.000 2.176 100 G HA2 -0.323 3.635 3.960 -0.003 0.000 0.253 100 G HA3 -0.323 3.635 3.960 -0.003 0.000 0.253 100 G C 0.856 175.844 174.900 0.146 0.000 0.979 100 G CA 0.342 45.483 45.100 0.068 0.000 0.641 100 G HN 0.322 nan 8.290 nan 0.000 0.530 101 D N -0.651 119.735 120.400 -0.022 0.000 2.218 101 D HA 0.038 4.676 4.640 -0.003 0.000 0.204 101 D C 0.315 176.367 176.300 -0.413 0.000 0.976 101 D CA 1.236 55.089 54.000 -0.244 0.000 0.853 101 D CB 0.032 40.622 40.800 -0.349 0.000 0.939 101 D HN 0.542 nan 8.370 nan 0.000 0.481 102 Y N -1.705 118.728 120.300 0.221 0.000 2.421 102 Y HA 0.347 4.896 4.550 -0.003 0.000 0.339 102 Y C -0.700 175.401 175.900 0.334 0.000 0.996 102 Y CA -1.119 57.141 58.100 0.267 0.000 1.046 102 Y CB 1.289 39.868 38.460 0.199 0.000 1.226 102 Y HN -0.256 nan 8.280 nan 0.000 0.445 103 W N 0.849 122.265 121.300 0.194 0.000 2.882 103 W HA 0.722 5.379 4.660 -0.004 0.000 0.345 103 W C 0.395 177.011 176.519 0.162 0.000 1.125 103 W CA -1.222 56.202 57.345 0.132 0.000 1.167 103 W CB 1.567 31.032 29.460 0.009 0.000 1.431 103 W HN 0.688 nan 8.180 nan 0.000 0.543 104 G N 0.229 109.259 108.800 0.382 0.000 2.588 104 G HA2 0.297 4.255 3.960 -0.003 0.000 0.278 104 G HA3 0.297 4.255 3.960 -0.003 0.000 0.278 104 G C 0.299 175.435 174.900 0.393 0.000 1.307 104 G CA -0.429 44.845 45.100 0.290 0.000 1.016 104 G HN 0.598 nan 8.290 nan 0.000 0.503 105 Q N -1.086 118.889 119.800 0.292 0.000 2.392 105 Q HA 0.386 4.724 4.340 -0.003 0.000 0.203 105 Q C 0.954 177.139 176.000 0.309 0.000 0.917 105 Q CA 0.233 56.213 55.803 0.296 0.000 0.939 105 Q CB 0.241 29.082 28.738 0.172 0.000 1.063 105 Q HN 1.305 nan 8.270 nan 0.000 0.516 106 G N 1.484 110.408 108.800 0.205 0.000 2.705 106 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.686 106 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.686 106 G C -1.261 173.587 174.900 -0.087 0.000 1.285 106 G CA -0.351 44.619 45.100 -0.216 0.000 0.800 106 G HN 0.377 nan 8.290 nan 0.000 0.611 107 I N 1.523 122.052 120.570 -0.069 0.000 2.499 107 I HA 0.605 4.773 4.170 -0.003 0.000 0.288 107 I C -0.159 175.975 176.117 0.028 0.000 1.048 107 I CA -1.359 59.945 61.300 0.007 0.000 1.062 107 I CB 1.409 39.437 38.000 0.047 0.000 1.238 107 I HN 0.805 nan 8.210 nan 0.000 0.426 108 L N 8.951 130.184 121.223 0.017 0.000 2.361 108 L HA 0.407 4.745 4.340 -0.003 0.000 0.278 108 L C -1.112 175.793 176.870 0.059 0.000 1.113 108 L CA 0.329 55.193 54.840 0.041 0.000 0.849 108 L CB 1.082 43.153 42.059 0.020 0.000 1.155 108 L HN 0.381 nan 8.230 nan 0.000 0.452 109 V N 4.772 124.757 119.914 0.118 0.000 2.378 109 V HA 0.439 4.557 4.120 -0.003 0.000 0.288 109 V C -0.007 176.135 176.094 0.079 0.000 1.016 109 V CA -0.459 61.880 62.300 0.066 0.000 0.840 109 V CB 1.549 33.371 31.823 -0.001 0.000 0.994 109 V HN 0.854 nan 8.190 nan 0.000 0.431 110 T N 4.519 119.093 114.554 0.034 0.000 2.770 110 T HA 0.417 4.765 4.350 -0.003 0.000 0.283 110 T C -0.150 174.558 174.700 0.014 0.000 0.988 110 T CA -0.345 61.774 62.100 0.031 0.000 0.957 110 T CB 1.520 70.400 68.868 0.020 0.000 0.930 110 T HN 0.295 nan 8.240 nan 0.000 0.443 111 V N 4.086 124.012 119.914 0.020 0.000 2.322 111 V HA 0.241 4.360 4.120 -0.003 0.000 0.258 111 V C 0.343 176.441 176.094 0.006 0.000 1.074 111 V CA -0.416 61.888 62.300 0.007 0.000 0.909 111 V CB 0.500 32.330 31.823 0.011 0.000 1.090 111 V HN 0.927 nan 8.190 nan 0.000 0.486 112 S N 3.687 119.387 115.700 0.001 0.000 2.404 112 S HA 0.298 4.766 4.470 -0.003 0.000 0.309 112 S C 0.472 175.071 174.600 -0.002 0.000 1.076 112 S CA -0.107 58.094 58.200 0.001 0.000 1.095 112 S CB 1.216 64.416 63.200 -0.000 0.000 0.972 112 S HN 0.801 nan 8.310 nan 0.000 0.484 113 S N 0.000 115.700 115.700 -0.000 0.000 2.498 113 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 113 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 113 S CB 0.000 63.200 63.200 0.000 0.000 0.593 113 S HN 0.000 nan 8.310 nan 0.000 0.517