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 2dvw_1_A DATA FIRST_RESID 3 DATA SEQUENCE GCVSNIMICN LAYSGKLDEL KERILADKSL ATRTDQDSRT ALHWACSAGH DATA SEQUENCE TEIVEFLLQL GVPVNDKDDA GWSPLHIAAS AGRDEIVKAL LVKGAHVNAV DATA SEQUENCE NQNGCTPLHY AASKNRHEIA VMLLEGGANP DAKDHYDATA MHRAAAKGNL DATA SEQUENCE KMVHILLFYK ASTNIQDTEG NTPLHLACDE ERVEEAKFLV TQGASIYIEN DATA SEQUENCE KEEKTPLQVA KGGLGLILKR LAEGEEASM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 3 G C 0.000 174.879 174.900 -0.036 0.000 0.946 3 G CA 0.000 45.103 45.100 0.005 0.000 0.502 4 C N -0.520 118.737 119.300 -0.072 0.000 2.793 4 C HA -0.089 4.374 4.460 0.006 0.000 0.310 4 C C 1.414 176.281 174.990 -0.204 0.000 0.759 4 C CA 0.073 59.011 59.018 -0.134 0.000 2.886 4 C CB -1.755 25.930 27.740 -0.091 0.000 1.551 4 C HN 1.498 nan 8.230 nan 0.000 0.432 5 V N 0.495 120.178 119.914 -0.385 0.000 3.604 5 V HA 0.605 4.729 4.120 0.006 0.000 0.277 5 V C 0.668 176.436 176.094 -0.543 0.000 1.399 5 V CA 1.237 63.206 62.300 -0.552 0.000 1.034 5 V CB 1.007 32.168 31.823 -1.103 0.000 0.824 5 V HN 1.181 nan 8.190 nan 0.000 0.439 6 S N 1.304 116.725 115.700 -0.465 0.000 2.661 6 S HA 0.429 4.902 4.470 0.006 0.000 0.285 6 S C 0.544 175.062 174.600 -0.138 0.000 1.138 6 S CA -0.049 57.992 58.200 -0.266 0.000 0.855 6 S CB 1.865 64.843 63.200 -0.369 0.000 1.136 6 S HN 0.537 nan 8.310 nan 0.000 0.484 7 N N 1.464 120.131 118.700 -0.055 0.000 2.373 7 N HA 0.059 4.802 4.740 0.006 0.000 0.181 7 N C -0.016 175.477 175.510 -0.028 0.000 1.082 7 N CA 0.211 53.240 53.050 -0.036 0.000 0.885 7 N CB -0.058 38.423 38.487 -0.010 0.000 0.977 7 N HN 0.438 nan 8.380 nan 0.000 0.462 8 I N 1.837 122.392 120.570 -0.024 0.000 2.321 8 I HA 0.137 4.311 4.170 0.006 0.000 0.291 8 I C 1.457 177.554 176.117 -0.034 0.000 0.998 8 I CA -0.543 60.753 61.300 -0.007 0.000 1.227 8 I CB 1.640 39.660 38.000 0.034 0.000 1.368 8 I HN -0.067 nan 8.210 nan 0.000 0.466 9 M N 6.337 125.922 119.600 -0.025 0.000 2.082 9 M HA -0.206 4.278 4.480 0.006 0.000 0.258 9 M C 1.772 178.057 176.300 -0.024 0.000 1.069 9 M CA 2.015 57.295 55.300 -0.033 0.000 1.102 9 M CB -0.615 31.974 32.600 -0.020 0.000 1.336 9 M HN 0.617 nan 8.290 nan 0.000 0.404 10 I N -0.250 120.324 120.570 0.007 0.000 2.335 10 I HA -0.309 3.865 4.170 0.006 0.000 0.251 10 I C 2.053 178.195 176.117 0.041 0.000 1.129 10 I CA 1.454 62.775 61.300 0.033 0.000 1.402 10 I CB -0.571 37.466 38.000 0.062 0.000 1.069 10 I HN 0.433 nan 8.210 nan 0.000 0.424 11 C N 0.501 119.810 119.300 0.014 0.000 2.475 11 C HA -0.027 4.437 4.460 0.006 0.000 0.279 11 C C 2.509 177.380 174.990 -0.199 0.000 1.322 11 C CA 0.546 59.547 59.018 -0.028 0.000 1.734 11 C CB -1.484 26.224 27.740 -0.052 0.000 2.005 11 C HN 0.552 nan 8.230 nan 0.000 0.495 12 N N 1.238 119.818 118.700 -0.199 0.000 2.188 12 N HA -0.025 4.719 4.740 0.006 0.000 0.184 12 N C 1.666 177.142 175.510 -0.056 0.000 1.018 12 N CA 1.060 53.999 53.050 -0.185 0.000 0.858 12 N CB -0.392 38.005 38.487 -0.150 0.000 0.989 12 N HN 0.510 nan 8.380 nan 0.000 0.426 13 L N 0.904 122.107 121.223 -0.033 0.000 1.994 13 L HA -0.126 4.217 4.340 0.006 0.000 0.208 13 L C 2.563 179.442 176.870 0.015 0.000 1.071 13 L CA 1.200 56.029 54.840 -0.017 0.000 0.745 13 L CB -0.658 41.393 42.059 -0.013 0.000 0.892 13 L HN 0.090 nan 8.230 nan 0.000 0.431 14 A N -0.513 122.352 122.820 0.076 0.000 1.873 14 A HA -0.322 4.002 4.320 0.006 0.000 0.218 14 A C 2.219 179.968 177.584 0.274 0.000 1.193 14 A CA 2.057 54.197 52.037 0.172 0.000 0.629 14 A CB -1.087 18.067 19.000 0.256 0.000 0.826 14 A HN 0.471 nan 8.150 nan 0.000 0.447 15 Y N 1.319 121.692 120.300 0.122 0.000 2.242 15 Y HA -0.123 4.430 4.550 0.006 0.000 0.291 15 Y C 2.505 178.536 175.900 0.219 0.000 1.137 15 Y CA 1.618 59.832 58.100 0.189 0.000 1.181 15 Y CB -0.229 38.209 38.460 -0.037 0.000 0.989 15 Y HN 0.300 nan 8.280 nan 0.000 0.527 16 S N -0.498 115.248 115.700 0.076 0.000 2.607 16 S HA 0.128 4.602 4.470 0.006 0.000 0.224 16 S C 1.585 176.046 174.600 -0.232 0.000 0.969 16 S CA 0.731 58.904 58.200 -0.045 0.000 0.927 16 S CB -0.653 62.530 63.200 -0.029 0.000 0.772 16 S HN 0.785 nan 8.310 nan 0.000 0.533 17 G N 2.080 110.589 108.800 -0.485 0.000 2.153 17 G HA2 -0.252 3.711 3.960 0.006 0.000 0.252 17 G HA3 -0.252 3.711 3.960 0.006 0.000 0.252 17 G C -0.048 174.620 174.900 -0.386 0.000 0.994 17 G CA -0.184 44.370 45.100 -0.909 0.000 0.698 17 G HN 0.350 nan 8.290 nan 0.000 0.521 18 K N 0.692 120.962 120.400 -0.217 0.000 2.081 18 K HA 0.266 4.589 4.320 0.006 0.000 0.230 18 K C 1.638 178.157 176.600 -0.134 0.000 1.199 18 K CA -0.353 55.848 56.287 -0.143 0.000 1.130 18 K CB 0.395 32.838 32.500 -0.095 0.000 1.386 18 K HN 0.360 nan 8.250 nan 0.000 0.280 19 L N 1.708 122.839 121.223 -0.155 0.000 1.989 19 L HA -0.219 4.124 4.340 0.006 0.000 0.211 19 L C 1.254 178.019 176.870 -0.175 0.000 1.071 19 L CA 2.061 56.809 54.840 -0.153 0.000 0.749 19 L CB -0.195 41.782 42.059 -0.137 0.000 0.890 19 L HN 0.411 nan 8.230 nan 0.000 0.431 20 D N -0.626 119.688 120.400 -0.144 0.000 2.117 20 D HA -0.221 4.423 4.640 0.006 0.000 0.197 20 D C 2.078 178.301 176.300 -0.128 0.000 0.987 20 D CA 1.484 55.400 54.000 -0.140 0.000 0.829 20 D CB -0.055 40.684 40.800 -0.100 0.000 0.961 20 D HN 0.569 nan 8.370 nan 0.000 0.460 21 E N 0.431 120.572 120.200 -0.099 0.000 2.077 21 E HA -0.142 4.211 4.350 0.006 0.000 0.193 21 E C 2.316 178.873 176.600 -0.073 0.000 0.989 21 E CA 0.356 56.712 56.400 -0.073 0.000 0.800 21 E CB -0.093 29.573 29.700 -0.058 0.000 0.746 21 E HN 0.168 nan 8.360 nan 0.000 0.452 22 L N 0.896 122.067 121.223 -0.086 0.000 2.017 22 L HA -0.223 4.121 4.340 0.006 0.000 0.208 22 L C 2.237 179.049 176.870 -0.096 0.000 1.073 22 L CA 1.624 56.431 54.840 -0.055 0.000 0.745 22 L CB -0.125 41.915 42.059 -0.032 0.000 0.894 22 L HN 0.011 nan 8.230 nan 0.000 0.432 23 K N -0.329 119.893 120.400 -0.298 0.000 2.057 23 K HA -0.264 4.060 4.320 0.006 0.000 0.207 23 K C 2.043 178.540 176.600 -0.172 0.000 1.049 23 K CA 1.926 57.883 56.287 -0.549 0.000 0.931 23 K CB -0.192 31.836 32.500 -0.786 0.000 0.714 23 K HN 0.436 nan 8.250 nan 0.000 0.440 24 E N 0.967 121.094 120.200 -0.121 0.000 2.058 24 E HA -0.214 4.139 4.350 0.006 0.000 0.194 24 E C 2.016 178.614 176.600 -0.002 0.000 0.997 24 E CA 1.284 57.655 56.400 -0.049 0.000 0.801 24 E CB 0.161 29.829 29.700 -0.053 0.000 0.746 24 E HN 0.203 nan 8.360 nan 0.000 0.450 25 R N -0.006 120.496 120.500 0.003 0.000 2.075 25 R HA -0.041 4.303 4.340 0.006 0.000 0.232 25 R C 2.521 178.856 176.300 0.058 0.000 1.126 25 R CA 1.260 57.375 56.100 0.025 0.000 0.963 25 R CB -0.226 30.086 30.300 0.020 0.000 0.858 25 R HN 0.313 nan 8.270 nan 0.000 0.435 26 I N 0.900 121.528 120.570 0.097 0.000 2.394 26 I HA -0.235 3.939 4.170 0.006 0.000 0.251 26 I C 2.117 178.327 176.117 0.155 0.000 1.136 26 I CA 1.067 62.459 61.300 0.153 0.000 1.425 26 I CB -0.124 38.045 38.000 0.282 0.000 1.079 26 I HN 0.155 nan 8.210 nan 0.000 0.425 27 L N 0.373 121.693 121.223 0.162 0.000 2.201 27 L HA -0.156 4.187 4.340 0.006 0.000 0.212 27 L C 2.711 179.628 176.870 0.078 0.000 1.105 27 L CA 1.033 55.957 54.840 0.140 0.000 0.775 27 L CB -0.488 41.648 42.059 0.128 0.000 0.913 27 L HN 0.237 nan 8.230 nan 0.000 0.440 28 A N -1.279 121.577 122.820 0.060 0.000 1.903 28 A HA -0.113 4.211 4.320 0.006 0.000 0.213 28 A C 0.882 178.489 177.584 0.039 0.000 1.185 28 A CA 0.975 53.036 52.037 0.040 0.000 0.628 28 A CB -0.021 18.996 19.000 0.029 0.000 0.830 28 A HN 0.283 nan 8.150 nan 0.000 0.446 29 D N -0.981 119.446 120.400 0.046 0.000 2.408 29 D HA 0.276 4.920 4.640 0.006 0.000 0.261 29 D C 0.552 176.882 176.300 0.049 0.000 1.190 29 D CA -0.326 53.698 54.000 0.040 0.000 0.910 29 D CB 0.703 41.524 40.800 0.035 0.000 1.097 29 D HN 0.150 nan 8.370 nan 0.000 0.522 30 K N 0.649 121.075 120.400 0.042 0.000 2.281 30 K HA -0.138 4.186 4.320 0.006 0.000 0.203 30 K C 1.732 178.352 176.600 0.033 0.000 1.046 30 K CA 1.224 57.533 56.287 0.037 0.000 0.938 30 K CB 0.250 32.762 32.500 0.019 0.000 0.737 30 K HN 0.404 nan 8.250 nan 0.000 0.458 31 S N 0.648 116.367 115.700 0.032 0.000 2.419 31 S HA -0.108 4.365 4.470 0.006 0.000 0.233 31 S C 1.875 176.501 174.600 0.043 0.000 1.016 31 S CA 0.713 58.932 58.200 0.032 0.000 0.974 31 S CB -0.421 62.796 63.200 0.028 0.000 0.786 31 S HN 0.269 nan 8.310 nan 0.000 0.492 32 L N 1.166 122.419 121.223 0.051 0.000 2.187 32 L HA -0.068 4.276 4.340 0.006 0.000 0.213 32 L C 3.128 180.045 176.870 0.077 0.000 1.100 32 L CA 1.058 55.936 54.840 0.063 0.000 0.765 32 L CB -0.892 41.207 42.059 0.067 0.000 0.904 32 L HN 0.496 nan 8.230 nan 0.000 0.437 33 A N -0.121 122.742 122.820 0.072 0.000 2.019 33 A HA -0.170 4.153 4.320 0.006 0.000 0.219 33 A C 2.007 179.630 177.584 0.066 0.000 1.164 33 A CA 2.091 54.170 52.037 0.070 0.000 0.644 33 A CB -0.609 18.406 19.000 0.025 0.000 0.805 33 A HN 0.512 nan 8.150 nan 0.000 0.449 34 T N -3.663 110.927 114.554 0.059 0.000 3.200 34 T HA 0.335 4.688 4.350 0.006 0.000 0.284 34 T C 0.345 175.089 174.700 0.075 0.000 1.009 34 T CA -0.461 61.678 62.100 0.064 0.000 0.907 34 T CB -0.246 68.647 68.868 0.043 0.000 1.120 34 T HN 0.372 nan 8.240 nan 0.000 0.534 35 R N 2.908 123.456 120.500 0.079 0.000 2.401 35 R HA 0.326 4.670 4.340 0.006 0.000 0.299 35 R C 0.070 176.428 176.300 0.097 0.000 1.064 35 R CA 0.067 56.212 56.100 0.076 0.000 1.000 35 R CB 0.380 30.721 30.300 0.068 0.000 0.973 35 R HN 0.441 nan 8.270 nan 0.000 0.438 36 T N 0.788 115.391 114.554 0.082 0.000 2.909 36 T HA 0.249 4.603 4.350 0.006 0.000 0.286 36 T C -0.053 174.696 174.700 0.083 0.000 1.002 36 T CA -1.001 61.151 62.100 0.086 0.000 1.074 36 T CB 1.397 70.299 68.868 0.058 0.000 0.984 36 T HN 0.666 nan 8.240 nan 0.000 0.495 37 D N 1.039 121.501 120.400 0.104 0.000 2.567 37 D HA 0.129 4.773 4.640 0.006 0.000 0.275 37 D C 1.486 177.825 176.300 0.066 0.000 1.195 37 D CA -0.822 53.239 54.000 0.102 0.000 1.087 37 D CB 0.274 41.180 40.800 0.177 0.000 1.165 37 D HN 0.672 nan 8.370 nan 0.000 0.609 38 Q N -1.157 118.679 119.800 0.061 0.000 2.508 38 Q HA -0.104 4.239 4.340 0.006 0.000 0.214 38 Q C -0.344 175.667 176.000 0.017 0.000 0.979 38 Q CA 1.154 56.977 55.803 0.033 0.000 0.911 38 Q CB -0.271 28.483 28.738 0.026 0.000 0.969 38 Q HN 0.353 nan 8.270 nan 0.000 0.504 39 D N 0.270 120.683 120.400 0.021 0.000 2.440 39 D HA 0.129 4.773 4.640 0.006 0.000 0.216 39 D C -0.375 175.859 176.300 -0.111 0.000 1.150 39 D CA -0.073 53.897 54.000 -0.050 0.000 0.832 39 D CB 0.764 41.520 40.800 -0.073 0.000 0.992 39 D HN 0.071 nan 8.370 nan 0.000 0.502 40 S N 0.492 116.154 115.700 -0.064 0.000 3.635 40 S HA -0.207 4.266 4.470 0.006 0.000 0.328 40 S C 0.435 174.920 174.600 -0.192 0.000 1.135 40 S CA 0.600 58.751 58.200 -0.083 0.000 0.942 40 S CB -0.851 62.300 63.200 -0.082 0.000 0.930 40 S HN 0.397 nan 8.310 nan 0.000 0.512 41 R N 0.635 121.036 120.500 -0.166 0.000 2.668 41 R HA 0.634 4.977 4.340 0.006 0.000 0.279 41 R C 0.729 177.119 176.300 0.150 0.000 0.976 41 R CA -0.095 55.854 56.100 -0.253 0.000 0.978 41 R CB 1.360 31.422 30.300 -0.398 0.000 1.133 41 R HN 0.436 nan 8.270 nan 0.000 0.484 42 T N -2.502 112.294 114.554 0.403 0.000 2.762 42 T HA 0.423 4.777 4.350 0.006 0.000 0.272 42 T C 1.162 176.096 174.700 0.390 0.000 0.982 42 T CA -0.280 62.021 62.100 0.335 0.000 1.013 42 T CB 1.364 70.380 68.868 0.247 0.000 1.309 42 T HN 0.488 nan 8.240 nan 0.000 0.572 43 A N -0.153 122.841 122.820 0.290 0.000 1.978 43 A HA 0.045 4.368 4.320 0.006 0.000 0.220 43 A C 2.161 179.903 177.584 0.263 0.000 1.170 43 A CA 1.610 53.825 52.037 0.297 0.000 0.636 43 A CB -1.147 17.980 19.000 0.211 0.000 0.810 43 A HN 0.753 nan 8.150 nan 0.000 0.448 44 L N -0.438 120.869 121.223 0.140 0.000 1.994 44 L HA -0.155 4.188 4.340 0.006 0.000 0.208 44 L C 2.250 179.118 176.870 -0.003 0.000 1.071 44 L CA 2.575 57.428 54.840 0.021 0.000 0.745 44 L CB -1.047 40.936 42.059 -0.127 0.000 0.892 44 L HN 0.564 nan 8.230 nan 0.000 0.431 45 H N -2.265 116.826 119.070 0.034 0.000 2.319 45 H HA -0.204 4.355 4.556 0.005 0.000 0.299 45 H C 1.861 177.140 175.328 -0.083 0.000 1.092 45 H CA 2.662 58.653 56.048 -0.095 0.000 1.302 45 H CB -0.550 29.045 29.762 -0.278 0.000 1.373 45 H HN 0.436 nan 8.280 nan 0.000 0.497 46 W N 0.526 121.956 121.300 0.217 0.000 2.388 46 W HA -0.049 4.613 4.660 0.004 0.000 0.294 46 W C 2.784 179.463 176.519 0.266 0.000 1.212 46 W CA 0.842 58.319 57.345 0.221 0.000 1.271 46 W CB -0.170 29.410 29.460 0.200 0.000 1.126 46 W HN 0.170 nan 8.180 nan 0.000 0.535 47 A N -0.773 122.299 122.820 0.419 0.000 1.969 47 A HA -0.183 4.141 4.320 0.006 0.000 0.218 47 A C 1.833 179.517 177.584 0.168 0.000 1.169 47 A CA 1.697 53.917 52.037 0.306 0.000 0.635 47 A CB -1.268 17.881 19.000 0.249 0.000 0.810 47 A HN 0.362 nan 8.150 nan 0.000 0.445 48 C N -1.405 117.976 119.300 0.136 0.000 2.446 48 C HA -0.048 4.416 4.460 0.006 0.000 0.277 48 C C 3.279 178.313 174.990 0.073 0.000 1.275 48 C CA 1.292 60.355 59.018 0.074 0.000 1.727 48 C CB -1.045 26.727 27.740 0.053 0.000 2.010 48 C HN 0.684 nan 8.230 nan 0.000 0.486 49 S N 0.790 116.567 115.700 0.128 0.000 2.359 49 S HA -0.154 4.320 4.470 0.006 0.000 0.224 49 S C 1.936 176.621 174.600 0.141 0.000 1.035 49 S CA 1.798 60.089 58.200 0.151 0.000 1.018 49 S CB -0.294 63.036 63.200 0.218 0.000 0.876 49 S HN 0.619 nan 8.310 nan 0.000 0.448 50 A N -0.406 122.467 122.820 0.088 0.000 2.119 50 A HA 0.443 4.767 4.320 0.006 0.000 0.216 50 A C 1.705 178.992 177.584 -0.495 0.000 1.152 50 A CA 1.096 52.930 52.037 -0.338 0.000 0.708 50 A CB -1.014 17.523 19.000 -0.772 0.000 0.805 50 A HN 1.497 nan 8.150 nan 0.000 0.460 51 G N -0.883 107.730 108.800 -0.311 0.000 2.142 51 G HA2 -0.195 3.768 3.960 0.006 0.000 0.225 51 G HA3 -0.195 3.768 3.960 0.006 0.000 0.225 51 G C -0.163 174.604 174.900 -0.222 0.000 1.015 51 G CA 0.135 45.104 45.100 -0.218 0.000 0.716 51 G HN 0.648 nan 8.290 nan 0.000 0.508 52 H N 1.408 120.488 119.070 0.017 0.000 2.982 52 H HA 0.303 4.862 4.556 0.006 0.000 0.261 52 H C 1.884 177.232 175.328 0.033 0.000 1.603 52 H CA 0.552 56.609 56.048 0.014 0.000 1.398 52 H CB 0.091 29.860 29.762 0.011 0.000 1.693 52 H HN 0.254 nan 8.280 nan 0.000 0.535 53 T N 1.454 116.076 114.554 0.113 0.000 2.653 53 T HA -0.217 4.136 4.350 0.006 0.000 0.268 53 T C 1.764 176.521 174.700 0.095 0.000 1.035 53 T CA 1.635 63.785 62.100 0.083 0.000 1.154 53 T CB 0.208 69.110 68.868 0.057 0.000 0.862 53 T HN 0.598 nan 8.240 nan 0.000 0.441 54 E N 0.638 120.895 120.200 0.095 0.000 2.058 54 E HA -0.099 4.255 4.350 0.006 0.000 0.194 54 E C 2.264 178.938 176.600 0.123 0.000 0.997 54 E CA 1.154 57.606 56.400 0.086 0.000 0.801 54 E CB -0.386 29.343 29.700 0.048 0.000 0.746 54 E HN 0.487 nan 8.360 nan 0.000 0.450 55 I N 0.822 121.470 120.570 0.130 0.000 2.163 55 I HA -0.270 3.904 4.170 0.006 0.000 0.243 55 I C 2.409 178.648 176.117 0.204 0.000 1.085 55 I CA 0.862 62.263 61.300 0.168 0.000 1.347 55 I CB -0.304 37.791 38.000 0.158 0.000 1.044 55 I HN 0.004 nan 8.210 nan 0.000 0.408 56 V N 0.838 120.844 119.914 0.154 0.000 2.287 56 V HA -0.284 3.840 4.120 0.006 0.000 0.248 56 V C 2.364 178.514 176.094 0.093 0.000 1.053 56 V CA 1.969 64.335 62.300 0.110 0.000 1.027 56 V CB -0.715 31.154 31.823 0.077 0.000 0.646 56 V HN 0.453 nan 8.190 nan 0.000 0.447 57 E N -0.543 119.719 120.200 0.104 0.000 2.077 57 E HA -0.254 4.099 4.350 0.006 0.000 0.193 57 E C 2.071 178.736 176.600 0.108 0.000 0.989 57 E CA 1.636 58.087 56.400 0.086 0.000 0.800 57 E CB -0.295 29.457 29.700 0.087 0.000 0.746 57 E HN 0.604 nan 8.360 nan 0.000 0.452 58 F N 1.779 121.740 119.950 0.018 0.000 2.095 58 F HA -0.217 4.312 4.527 0.003 0.000 0.298 58 F C 1.934 177.744 175.800 0.015 0.000 1.104 58 F CA 1.418 59.427 58.000 0.016 0.000 1.232 58 F CB -0.320 38.690 39.000 0.017 0.000 0.987 58 F HN -0.092 nan 8.300 nan 0.000 0.475 59 L N -0.174 121.016 121.223 -0.055 0.000 1.989 59 L HA -0.273 4.071 4.340 0.006 0.000 0.211 59 L C 2.571 179.340 176.870 -0.168 0.000 1.071 59 L CA 1.503 56.249 54.840 -0.158 0.000 0.749 59 L CB -0.956 41.107 42.059 0.007 0.000 0.890 59 L HN 0.225 nan 8.230 nan 0.000 0.431 60 L N -0.348 120.823 121.223 -0.087 0.000 2.046 60 L HA -0.243 4.100 4.340 0.006 0.000 0.208 60 L C 2.774 179.585 176.870 -0.098 0.000 1.077 60 L CA 1.529 56.323 54.840 -0.077 0.000 0.747 60 L CB -0.791 41.245 42.059 -0.039 0.000 0.896 60 L HN 0.433 nan 8.230 nan 0.000 0.432 61 Q N 0.214 119.947 119.800 -0.111 0.000 2.226 61 Q HA -0.189 4.155 4.340 0.006 0.000 0.204 61 Q C 2.155 178.060 176.000 -0.159 0.000 0.975 61 Q CA 1.435 57.175 55.803 -0.104 0.000 0.866 61 Q CB -0.499 28.199 28.738 -0.067 0.000 0.915 61 Q HN 0.484 nan 8.270 nan 0.000 0.440 62 L N 0.069 121.129 121.223 -0.271 0.000 2.376 62 L HA 0.047 4.391 4.340 0.006 0.000 0.219 62 L C 0.812 177.587 176.870 -0.159 0.000 1.133 62 L CA 0.943 55.614 54.840 -0.282 0.000 0.816 62 L CB -0.255 41.534 42.059 -0.450 0.000 0.933 62 L HN 0.694 nan 8.230 nan 0.000 0.449 63 G N 0.026 108.750 108.800 -0.126 0.000 2.130 63 G HA2 -0.238 3.726 3.960 0.006 0.000 0.216 63 G HA3 -0.238 3.726 3.960 0.006 0.000 0.216 63 G C 0.240 175.098 174.900 -0.071 0.000 0.999 63 G CA 0.176 45.226 45.100 -0.083 0.000 0.686 63 G HN 0.366 nan 8.290 nan 0.000 0.515 64 V N -1.787 118.079 119.914 -0.080 0.000 2.963 64 V HA 0.656 4.780 4.120 0.006 0.000 0.306 64 V C -0.975 175.089 176.094 -0.050 0.000 1.077 64 V CA -1.726 60.540 62.300 -0.056 0.000 1.124 64 V CB 0.417 32.210 31.823 -0.051 0.000 0.987 64 V HN 0.123 nan 8.190 nan 0.000 0.487 65 P HA 0.226 nan 4.420 nan 0.000 0.269 65 P C 0.495 177.758 177.300 -0.062 0.000 1.209 65 P CA 0.168 63.245 63.100 -0.039 0.000 0.776 65 P CB 0.827 32.520 31.700 -0.011 0.000 0.876 66 V N -1.623 118.242 119.914 -0.083 0.000 3.528 66 V HA 0.289 4.413 4.120 0.006 0.000 0.294 66 V C 0.663 176.696 176.094 -0.101 0.000 1.404 66 V CA 0.578 62.817 62.300 -0.102 0.000 1.065 66 V CB -0.365 31.394 31.823 -0.107 0.000 0.904 66 V HN 0.335 nan 8.190 nan 0.000 0.435 67 N N 0.656 119.306 118.700 -0.082 0.000 2.187 67 N HA 0.164 4.908 4.740 0.006 0.000 0.212 67 N C -0.431 175.127 175.510 0.080 0.000 1.152 67 N CA 0.002 53.035 53.050 -0.028 0.000 0.872 67 N CB 0.466 38.880 38.487 -0.121 0.000 1.025 67 N HN 0.464 nan 8.380 nan 0.000 0.514 68 D N 1.871 122.320 120.400 0.082 0.000 2.417 68 D HA 0.067 4.710 4.640 0.006 0.000 0.250 68 D C 0.332 176.793 176.300 0.269 0.000 1.166 68 D CA 0.728 54.819 54.000 0.151 0.000 0.881 68 D CB 1.035 41.928 40.800 0.155 0.000 1.164 68 D HN -0.012 nan 8.370 nan 0.000 0.467 69 K N 2.128 122.646 120.400 0.197 0.000 2.118 69 K HA 0.219 4.542 4.320 0.006 0.000 0.267 69 K C 0.216 176.839 176.600 0.039 0.000 0.991 69 K CA -0.939 55.456 56.287 0.179 0.000 0.916 69 K CB 0.949 33.518 32.500 0.115 0.000 1.041 69 K HN 0.428 nan 8.250 nan 0.000 0.455 70 D N 0.436 120.778 120.400 -0.096 0.000 2.447 70 D HA -0.082 4.561 4.640 0.006 0.000 0.265 70 D C 0.573 176.809 176.300 -0.107 0.000 1.250 70 D CA -0.353 53.483 54.000 -0.272 0.000 1.046 70 D CB 0.271 40.779 40.800 -0.486 0.000 1.095 70 D HN 0.614 nan 8.370 nan 0.000 0.555 71 D N -1.354 118.976 120.400 -0.117 0.000 2.350 71 D HA -0.085 4.559 4.640 0.006 0.000 0.216 71 D C 1.290 177.579 176.300 -0.019 0.000 0.968 71 D CA 1.109 55.076 54.000 -0.055 0.000 0.894 71 D CB -0.522 40.245 40.800 -0.055 0.000 0.909 71 D HN 0.405 nan 8.370 nan 0.000 0.520 72 A N -0.622 122.194 122.820 -0.007 0.000 2.345 72 A HA 0.590 4.913 4.320 0.006 0.000 0.225 72 A C 1.871 179.572 177.584 0.194 0.000 1.243 72 A CA 0.375 52.465 52.037 0.088 0.000 0.875 72 A CB -0.380 18.646 19.000 0.042 0.000 0.929 72 A HN 0.525 nan 8.150 nan 0.000 0.502 73 G N -2.286 106.579 108.800 0.109 0.000 2.157 73 G HA2 -0.261 3.703 3.960 0.006 0.000 0.248 73 G HA3 -0.261 3.703 3.960 0.006 0.000 0.248 73 G C -0.244 174.640 174.900 -0.027 0.000 0.979 73 G CA 0.081 45.205 45.100 0.039 0.000 0.650 73 G HN 0.397 nan 8.290 nan 0.000 0.529 74 W N 2.635 123.806 121.300 -0.215 0.000 2.388 74 W HA 0.596 5.260 4.660 0.007 0.000 0.308 74 W C 1.145 177.691 176.519 0.046 0.000 1.263 74 W CA -0.054 57.154 57.345 -0.230 0.000 1.286 74 W CB 0.726 30.061 29.460 -0.207 0.000 1.294 74 W HN 0.485 nan 8.180 nan 0.000 0.493 75 S N 3.542 119.504 115.700 0.437 0.000 2.645 75 S HA 0.370 4.844 4.470 0.006 0.000 0.266 75 S C -1.743 173.057 174.600 0.334 0.000 1.258 75 S CA -1.153 57.284 58.200 0.394 0.000 0.990 75 S CB 1.624 65.024 63.200 0.334 0.000 0.967 75 S HN 0.230 nan 8.310 nan 0.000 0.556 76 P HA -0.086 nan 4.420 nan 0.000 0.216 76 P C 1.528 178.872 177.300 0.074 0.000 1.150 76 P CA 0.527 63.640 63.100 0.023 0.000 0.843 76 P CB -0.015 31.600 31.700 -0.141 0.000 0.787 77 L N -1.542 119.709 121.223 0.047 0.000 2.141 77 L HA -0.157 4.187 4.340 0.006 0.000 0.209 77 L C 2.094 178.975 176.870 0.018 0.000 1.094 77 L CA 1.983 56.822 54.840 -0.002 0.000 0.763 77 L CB -1.246 40.769 42.059 -0.073 0.000 0.908 77 L HN 0.039 nan 8.230 nan 0.000 0.437 78 H N -1.117 117.991 119.070 0.064 0.000 2.326 78 H HA -0.074 4.485 4.556 0.006 0.000 0.301 78 H C 2.221 177.644 175.328 0.159 0.000 1.081 78 H CA 2.238 58.300 56.048 0.023 0.000 1.334 78 H CB -0.068 29.594 29.762 -0.166 0.000 1.385 78 H HN 0.291 nan 8.280 nan 0.000 0.504 79 I N 0.126 120.941 120.570 0.408 0.000 2.142 79 I HA -0.271 3.903 4.170 0.006 0.000 0.240 79 I C 2.677 178.895 176.117 0.168 0.000 1.078 79 I CA 1.014 62.502 61.300 0.313 0.000 1.343 79 I CB -0.419 37.695 38.000 0.190 0.000 1.046 79 I HN 0.315 nan 8.210 nan 0.000 0.405 80 A N 0.891 123.780 122.820 0.116 0.000 1.877 80 A HA -0.179 4.145 4.320 0.006 0.000 0.216 80 A C 2.568 180.193 177.584 0.068 0.000 1.186 80 A CA 2.009 54.087 52.037 0.069 0.000 0.620 80 A CB -0.967 18.058 19.000 0.042 0.000 0.822 80 A HN 0.438 nan 8.150 nan 0.000 0.443 81 A N -0.906 121.957 122.820 0.072 0.000 1.865 81 A HA -0.160 4.164 4.320 0.006 0.000 0.217 81 A C 2.524 180.167 177.584 0.099 0.000 1.191 81 A CA 2.398 54.475 52.037 0.066 0.000 0.623 81 A CB -1.126 17.905 19.000 0.053 0.000 0.826 81 A HN 0.550 nan 8.150 nan 0.000 0.444 82 S N -0.558 115.229 115.700 0.145 0.000 2.356 82 S HA -0.008 4.465 4.470 0.006 0.000 0.223 82 S C 1.934 176.597 174.600 0.105 0.000 1.032 82 S CA 1.343 59.637 58.200 0.158 0.000 1.005 82 S CB -0.432 62.865 63.200 0.162 0.000 0.867 82 S HN 0.860 nan 8.310 nan 0.000 0.449 83 A N -0.059 122.812 122.820 0.085 0.000 2.255 83 A HA 0.430 4.754 4.320 0.006 0.000 0.206 83 A C 1.494 179.102 177.584 0.039 0.000 1.193 83 A CA 0.881 52.950 52.037 0.053 0.000 0.794 83 A CB -1.302 17.724 19.000 0.044 0.000 0.794 83 A HN 1.301 nan 8.150 nan 0.000 0.481 84 G N -0.101 108.726 108.800 0.044 0.000 2.273 84 G HA2 -0.257 3.707 3.960 0.006 0.000 0.280 84 G HA3 -0.257 3.707 3.960 0.006 0.000 0.280 84 G C -0.009 174.904 174.900 0.022 0.000 1.047 84 G CA 0.080 45.197 45.100 0.030 0.000 0.869 84 G HN 0.424 nan 8.290 nan 0.000 0.502 85 R N 0.934 121.447 120.500 0.023 0.000 2.593 85 R HA 0.227 4.571 4.340 0.006 0.000 0.282 85 R C 1.064 177.375 176.300 0.018 0.000 1.300 85 R CA -0.220 55.889 56.100 0.015 0.000 1.221 85 R CB 0.080 30.387 30.300 0.012 0.000 1.157 85 R HN 0.492 nan 8.270 nan 0.000 0.555 86 D N 1.571 121.982 120.400 0.019 0.000 2.103 86 D HA -0.223 4.421 4.640 0.006 0.000 0.190 86 D C 0.907 177.218 176.300 0.017 0.000 0.997 86 D CA 1.404 55.416 54.000 0.019 0.000 0.833 86 D CB 0.360 41.174 40.800 0.024 0.000 0.961 86 D HN 0.306 nan 8.370 nan 0.000 0.447 87 E N 0.777 120.988 120.200 0.018 0.000 2.070 87 E HA -0.146 4.208 4.350 0.006 0.000 0.197 87 E C 2.290 178.900 176.600 0.018 0.000 1.004 87 E CA 0.593 57.004 56.400 0.019 0.000 0.805 87 E CB -0.344 29.369 29.700 0.022 0.000 0.744 87 E HN 0.380 nan 8.360 nan 0.000 0.451 88 I N -0.552 120.029 120.570 0.019 0.000 2.226 88 I HA -0.246 3.928 4.170 0.006 0.000 0.245 88 I C 2.134 178.257 176.117 0.010 0.000 1.100 88 I CA 0.586 61.897 61.300 0.018 0.000 1.374 88 I CB -0.202 37.811 38.000 0.022 0.000 1.057 88 I HN 0.010 nan 8.210 nan 0.000 0.413 89 V N 1.136 121.056 119.914 0.009 0.000 2.343 89 V HA -0.328 3.795 4.120 0.006 0.000 0.247 89 V C 2.571 178.663 176.094 -0.004 0.000 1.051 89 V CA 2.002 64.303 62.300 0.001 0.000 1.036 89 V CB -0.671 31.153 31.823 0.002 0.000 0.654 89 V HN 0.433 nan 8.190 nan 0.000 0.451 90 K N 0.238 120.639 120.400 0.002 0.000 2.009 90 K HA -0.217 4.107 4.320 0.006 0.000 0.210 90 K C 2.241 178.840 176.600 -0.002 0.000 1.049 90 K CA 1.762 58.049 56.287 0.001 0.000 0.929 90 K CB -0.419 32.086 32.500 0.008 0.000 0.714 90 K HN 0.398 nan 8.250 nan 0.000 0.440 91 A N 1.651 124.472 122.820 0.002 0.000 1.892 91 A HA -0.190 4.134 4.320 0.006 0.000 0.218 91 A C 2.217 179.793 177.584 -0.013 0.000 1.188 91 A CA 1.726 53.763 52.037 -0.001 0.000 0.631 91 A CB -0.780 18.224 19.000 0.007 0.000 0.822 91 A HN 0.381 nan 8.150 nan 0.000 0.447 92 L N -0.843 120.370 121.223 -0.016 0.000 2.083 92 L HA -0.191 4.153 4.340 0.006 0.000 0.209 92 L C 2.581 179.428 176.870 -0.038 0.000 1.083 92 L CA 1.094 55.915 54.840 -0.032 0.000 0.752 92 L CB -0.522 41.517 42.059 -0.032 0.000 0.899 92 L HN 0.397 nan 8.230 nan 0.000 0.433 93 L N -1.167 120.038 121.223 -0.029 0.000 2.056 93 L HA -0.184 4.160 4.340 0.006 0.000 0.207 93 L C 2.519 179.375 176.870 -0.023 0.000 1.078 93 L CA 0.759 55.583 54.840 -0.027 0.000 0.749 93 L CB -0.556 41.491 42.059 -0.020 0.000 0.901 93 L HN 0.048 nan 8.230 nan 0.000 0.433 94 V N -0.280 119.623 119.914 -0.018 0.000 2.407 94 V HA -0.261 3.863 4.120 0.006 0.000 0.248 94 V C 2.257 178.337 176.094 -0.022 0.000 1.055 94 V CA 1.573 63.865 62.300 -0.014 0.000 1.049 94 V CB -0.433 31.385 31.823 -0.009 0.000 0.662 94 V HN 0.298 nan 8.190 nan 0.000 0.455 95 K N -0.099 120.282 120.400 -0.032 0.000 2.487 95 K HA 0.208 4.532 4.320 0.006 0.000 0.192 95 K C 1.259 177.821 176.600 -0.062 0.000 1.027 95 K CA 0.749 57.010 56.287 -0.044 0.000 1.054 95 K CB 0.001 32.471 32.500 -0.049 0.000 0.824 95 K HN 0.518 nan 8.250 nan 0.000 0.510 96 G N -1.015 107.748 108.800 -0.062 0.000 2.144 96 G HA2 -0.223 3.740 3.960 0.006 0.000 0.218 96 G HA3 -0.223 3.740 3.960 0.006 0.000 0.218 96 G C 0.171 174.970 174.900 -0.167 0.000 0.988 96 G CA -0.103 44.946 45.100 -0.087 0.000 0.659 96 G HN 0.482 nan 8.290 nan 0.000 0.522 97 A N 0.697 123.434 122.820 -0.138 0.000 2.531 97 A HA 0.454 4.778 4.320 0.006 0.000 0.236 97 A C 0.529 178.054 177.584 -0.099 0.000 1.062 97 A CA 0.148 52.087 52.037 -0.163 0.000 0.760 97 A CB 0.007 18.953 19.000 -0.090 0.000 0.995 97 A HN 0.499 nan 8.150 nan 0.000 0.501 98 H N 2.772 121.823 119.070 -0.030 0.000 2.864 98 H HA 0.175 4.734 4.556 0.006 0.000 0.281 98 H C 1.592 176.878 175.328 -0.069 0.000 1.093 98 H CA 0.321 56.348 56.048 -0.035 0.000 1.453 98 H CB 0.622 30.375 29.762 -0.016 0.000 1.462 98 H HN 0.521 nan 8.280 nan 0.000 0.480 99 V N 1.095 121.042 119.914 0.055 0.000 2.515 99 V HA -0.158 3.965 4.120 0.006 0.000 0.250 99 V C 1.103 177.164 176.094 -0.055 0.000 1.058 99 V CA 1.332 63.614 62.300 -0.028 0.000 1.064 99 V CB -0.053 31.750 31.823 -0.034 0.000 0.675 99 V HN 0.517 nan 8.190 nan 0.000 0.461 100 N N 1.335 120.018 118.700 -0.028 0.000 2.320 100 N HA 0.451 5.195 4.740 0.006 0.000 0.237 100 N C 0.493 175.991 175.510 -0.020 0.000 1.129 100 N CA 0.625 53.653 53.050 -0.036 0.000 0.854 100 N CB 0.711 39.178 38.487 -0.033 0.000 1.083 100 N HN 0.652 nan 8.380 nan 0.000 0.504 101 A N 0.788 123.603 122.820 -0.007 0.000 2.462 101 A HA 0.368 4.692 4.320 0.006 0.000 0.243 101 A C 0.690 178.366 177.584 0.152 0.000 1.076 101 A CA -0.312 51.769 52.037 0.073 0.000 0.773 101 A CB 0.363 19.453 19.000 0.150 0.000 1.010 101 A HN 0.096 nan 8.150 nan 0.000 0.493 102 V N 0.912 120.911 119.914 0.142 0.000 2.769 102 V HA 0.722 4.846 4.120 0.006 0.000 0.312 102 V C -0.157 175.902 176.094 -0.058 0.000 1.058 102 V CA -0.908 61.438 62.300 0.077 0.000 0.952 102 V CB 1.611 33.409 31.823 -0.043 0.000 1.019 102 V HN 1.063 nan 8.190 nan 0.000 0.445 103 N N 2.267 120.788 118.700 -0.299 0.000 2.681 103 N HA 0.227 4.971 4.740 0.006 0.000 0.311 103 N C 0.961 176.349 175.510 -0.204 0.000 1.303 103 N CA -0.231 52.581 53.050 -0.397 0.000 0.926 103 N CB 0.109 38.096 38.487 -0.834 0.000 1.136 103 N HN 0.844 nan 8.380 nan 0.000 0.592 104 Q N -1.174 118.573 119.800 -0.088 0.000 2.439 104 Q HA -0.109 4.234 4.340 0.006 0.000 0.211 104 Q C -0.168 175.826 176.000 -0.010 0.000 0.978 104 Q CA 1.353 57.165 55.803 0.015 0.000 0.897 104 Q CB -0.585 28.201 28.738 0.079 0.000 0.956 104 Q HN 0.717 nan 8.270 nan 0.000 0.483 105 N N -0.694 117.911 118.700 -0.159 0.000 2.234 105 N HA 0.151 4.895 4.740 0.006 0.000 0.227 105 N C 0.687 175.768 175.510 -0.715 0.000 1.151 105 N CA 0.439 53.351 53.050 -0.229 0.000 0.865 105 N CB 1.157 39.652 38.487 0.013 0.000 1.066 105 N HN 0.377 nan 8.380 nan 0.000 0.515 106 G N 0.361 108.597 108.800 -0.940 0.000 2.179 106 G HA2 -0.296 3.668 3.960 0.006 0.000 0.260 106 G HA3 -0.296 3.668 3.960 0.006 0.000 0.260 106 G C 0.081 174.689 174.900 -0.487 0.000 0.977 106 G CA 0.243 44.848 45.100 -0.825 0.000 0.641 106 G HN 0.485 nan 8.290 nan 0.000 0.533 107 C N 1.912 120.917 119.300 -0.492 0.000 2.536 107 C HA 0.705 5.169 4.460 0.006 0.000 0.396 107 C C 1.383 176.341 174.990 -0.053 0.000 1.279 107 C CA 0.394 59.084 59.018 -0.546 0.000 2.148 107 C CB 0.485 27.780 27.740 -0.741 0.000 2.584 107 C HN 0.782 nan 8.230 nan 0.000 0.579 108 T N 0.661 115.328 114.554 0.188 0.000 2.923 108 T HA 0.354 4.708 4.350 0.006 0.000 0.281 108 T C -2.142 172.570 174.700 0.021 0.000 0.995 108 T CA -1.436 60.732 62.100 0.114 0.000 0.985 108 T CB 0.959 69.856 68.868 0.049 0.000 1.114 108 T HN 0.318 nan 8.240 nan 0.000 0.548 109 P HA 0.002 nan 4.420 nan 0.000 0.220 109 P C 1.560 178.855 177.300 -0.010 0.000 1.148 109 P CA 0.218 63.253 63.100 -0.109 0.000 0.803 109 P CB -0.041 31.512 31.700 -0.246 0.000 0.782 110 L N -1.304 119.869 121.223 -0.083 0.000 2.131 110 L HA -0.164 4.180 4.340 0.006 0.000 0.210 110 L C 2.012 178.787 176.870 -0.158 0.000 1.092 110 L CA 1.979 56.744 54.840 -0.125 0.000 0.759 110 L CB -1.163 40.788 42.059 -0.179 0.000 0.903 110 L HN 0.032 nan 8.230 nan 0.000 0.435 111 H N -2.267 116.675 119.070 -0.213 0.000 2.353 111 H HA -0.173 4.387 4.556 0.006 0.000 0.300 111 H C 1.747 176.890 175.328 -0.308 0.000 1.090 111 H CA 2.621 58.477 56.048 -0.321 0.000 1.327 111 H CB -0.216 29.220 29.762 -0.544 0.000 1.383 111 H HN 0.365 nan 8.280 nan 0.000 0.508 112 Y N -0.183 120.164 120.300 0.078 0.000 2.184 112 Y HA -0.065 4.490 4.550 0.007 0.000 0.290 112 Y C 2.656 178.567 175.900 0.017 0.000 1.129 112 Y CA 0.738 58.869 58.100 0.052 0.000 1.144 112 Y CB -0.793 37.696 38.460 0.049 0.000 0.995 112 Y HN 0.225 nan 8.280 nan 0.000 0.513 113 A N 0.296 123.190 122.820 0.122 0.000 1.908 113 A HA -0.197 4.127 4.320 0.006 0.000 0.218 113 A C 2.462 180.028 177.584 -0.029 0.000 1.181 113 A CA 2.265 54.320 52.037 0.031 0.000 0.627 113 A CB -1.271 17.723 19.000 -0.010 0.000 0.818 113 A HN 0.412 nan 8.150 nan 0.000 0.445 114 A N -0.907 121.887 122.820 -0.044 0.000 1.873 114 A HA -0.055 4.269 4.320 0.006 0.000 0.215 114 A C 2.501 180.057 177.584 -0.046 0.000 1.186 114 A CA 2.107 54.102 52.037 -0.069 0.000 0.616 114 A CB -1.023 17.929 19.000 -0.080 0.000 0.823 114 A HN 0.690 nan 8.150 nan 0.000 0.442 115 S N -0.055 115.644 115.700 -0.002 0.000 2.370 115 S HA -0.159 4.315 4.470 0.006 0.000 0.226 115 S C 1.434 176.048 174.600 0.023 0.000 1.033 115 S CA 1.744 59.961 58.200 0.027 0.000 1.011 115 S CB -0.302 62.943 63.200 0.075 0.000 0.852 115 S HN 0.578 nan 8.310 nan 0.000 0.457 116 K N 1.050 121.469 120.400 0.032 0.000 2.570 116 K HA 0.267 4.591 4.320 0.006 0.000 0.210 116 K C -0.043 176.521 176.600 -0.060 0.000 1.048 116 K CA -0.131 56.165 56.287 0.015 0.000 1.167 116 K CB 0.076 32.615 32.500 0.065 0.000 0.892 116 K HN 0.222 nan 8.250 nan 0.000 0.480 117 N N 2.200 120.811 118.700 -0.147 0.000 2.721 117 N HA -0.155 4.588 4.740 0.006 0.000 0.249 117 N C -0.985 174.255 175.510 -0.450 0.000 1.072 117 N CA 0.643 53.477 53.050 -0.360 0.000 0.710 117 N CB -0.461 37.898 38.487 -0.214 0.000 0.993 117 N HN 0.261 nan 8.380 nan 0.000 0.547 118 R N 0.537 120.873 120.500 -0.272 0.000 3.657 118 R HA 0.146 4.490 4.340 0.006 0.000 0.220 118 R C 1.057 177.274 176.300 -0.139 0.000 1.548 118 R CA -0.248 55.764 56.100 -0.146 0.000 1.465 118 R CB -0.524 29.748 30.300 -0.046 0.000 1.330 118 R HN 0.497 nan 8.270 nan 0.000 0.707 119 H N 0.748 119.825 119.070 0.011 0.000 2.251 119 H HA -0.188 4.372 4.556 0.006 0.000 0.294 119 H C 1.851 177.191 175.328 0.020 0.000 1.078 119 H CA 2.127 58.184 56.048 0.014 0.000 1.246 119 H CB 0.287 30.060 29.762 0.018 0.000 1.358 119 H HN 0.493 nan 8.280 nan 0.000 0.488 120 E N 0.701 120.997 120.200 0.159 0.000 2.070 120 E HA -0.197 4.156 4.350 0.006 0.000 0.197 120 E C 2.159 178.788 176.600 0.049 0.000 1.004 120 E CA 1.369 57.825 56.400 0.094 0.000 0.805 120 E CB -0.133 29.613 29.700 0.075 0.000 0.744 120 E HN 0.435 nan 8.360 nan 0.000 0.451 121 I N 0.810 121.398 120.570 0.029 0.000 2.208 121 I HA -0.297 3.876 4.170 0.006 0.000 0.245 121 I C 2.587 178.690 176.117 -0.023 0.000 1.097 121 I CA 1.056 62.358 61.300 0.002 0.000 1.363 121 I CB -0.350 37.651 38.000 0.002 0.000 1.051 121 I HN 0.197 nan 8.210 nan 0.000 0.413 122 A N 0.365 123.169 122.820 -0.027 0.000 1.908 122 A HA -0.190 4.134 4.320 0.006 0.000 0.218 122 A C 2.401 179.919 177.584 -0.110 0.000 1.181 122 A CA 2.063 54.062 52.037 -0.064 0.000 0.627 122 A CB -1.035 17.940 19.000 -0.041 0.000 0.818 122 A HN 0.266 nan 8.150 nan 0.000 0.445 123 V N -0.105 119.780 119.914 -0.048 0.000 2.343 123 V HA -0.326 3.797 4.120 0.006 0.000 0.247 123 V C 2.639 178.669 176.094 -0.107 0.000 1.051 123 V CA 2.237 64.494 62.300 -0.072 0.000 1.036 123 V CB -0.760 31.114 31.823 0.086 0.000 0.654 123 V HN 0.574 nan 8.190 nan 0.000 0.451 124 M N -0.843 118.726 119.600 -0.051 0.000 2.117 124 M HA -0.154 4.330 4.480 0.006 0.000 0.262 124 M C 2.215 178.467 176.300 -0.080 0.000 1.065 124 M CA 1.886 57.160 55.300 -0.044 0.000 1.114 124 M CB -0.474 32.114 32.600 -0.019 0.000 1.361 124 M HN 0.276 nan 8.290 nan 0.000 0.408 125 L N -0.035 121.127 121.223 -0.103 0.000 2.017 125 L HA -0.213 4.131 4.340 0.006 0.000 0.208 125 L C 2.365 179.137 176.870 -0.164 0.000 1.073 125 L CA 1.174 55.945 54.840 -0.115 0.000 0.745 125 L CB -0.573 41.418 42.059 -0.112 0.000 0.894 125 L HN 0.304 nan 8.230 nan 0.000 0.432 126 L N -0.832 120.222 121.223 -0.282 0.000 2.056 126 L HA -0.173 4.171 4.340 0.006 0.000 0.207 126 L C 2.681 179.361 176.870 -0.317 0.000 1.078 126 L CA 1.004 55.580 54.840 -0.440 0.000 0.749 126 L CB -0.520 40.940 42.059 -0.998 0.000 0.901 126 L HN 0.215 nan 8.230 nan 0.000 0.433 127 E N 0.221 120.278 120.200 -0.238 0.000 2.204 127 E HA -0.149 4.205 4.350 0.006 0.000 0.195 127 E C 2.027 178.611 176.600 -0.025 0.000 0.990 127 E CA 1.200 57.577 56.400 -0.038 0.000 0.821 127 E CB -0.256 29.456 29.700 0.020 0.000 0.750 127 E HN 0.514 nan 8.360 nan 0.000 0.477 128 G N -0.397 108.370 108.800 -0.055 0.000 3.026 128 G HA2 0.145 4.108 3.960 0.006 0.000 0.208 128 G HA3 0.145 4.108 3.960 0.006 0.000 0.208 128 G C 1.022 175.907 174.900 -0.025 0.000 1.169 128 G CA 0.459 45.541 45.100 -0.031 0.000 0.788 128 G HN 0.381 nan 8.290 nan 0.000 0.533 129 G N -1.493 107.288 108.800 -0.032 0.000 2.163 129 G HA2 0.138 4.102 3.960 0.006 0.000 0.213 129 G HA3 0.138 4.102 3.960 0.006 0.000 0.213 129 G C 0.527 175.406 174.900 -0.034 0.000 0.991 129 G CA 0.065 45.155 45.100 -0.018 0.000 0.653 129 G HN 1.318 nan 8.290 nan 0.000 0.518 130 A N 0.211 122.991 122.820 -0.067 0.000 2.546 130 A HA 0.469 4.793 4.320 0.006 0.000 0.243 130 A C 0.668 178.213 177.584 -0.064 0.000 1.063 130 A CA 0.627 52.617 52.037 -0.078 0.000 0.757 130 A CB 0.178 19.107 19.000 -0.117 0.000 0.991 130 A HN 0.848 nan 8.150 nan 0.000 0.503 131 N N 3.803 122.473 118.700 -0.050 0.000 2.405 131 N HA 0.143 4.887 4.740 0.006 0.000 0.260 131 N C -1.248 174.230 175.510 -0.053 0.000 1.152 131 N CA -2.018 51.012 53.050 -0.033 0.000 0.948 131 N CB 0.918 39.392 38.487 -0.021 0.000 1.111 131 N HN 0.360 nan 8.380 nan 0.000 0.485 132 P HA -0.029 nan 4.420 nan 0.000 0.223 132 P C -0.330 176.943 177.300 -0.046 0.000 1.151 132 P CA 0.951 64.026 63.100 -0.043 0.000 0.787 132 P CB 0.489 32.200 31.700 0.018 0.000 0.788 133 D N -0.263 120.127 120.400 -0.017 0.000 2.342 133 D HA 0.208 4.852 4.640 0.006 0.000 0.221 133 D C 0.698 177.004 176.300 0.010 0.000 1.101 133 D CA -0.151 53.852 54.000 0.004 0.000 0.837 133 D CB -0.127 40.688 40.800 0.026 0.000 0.938 133 D HN 0.094 nan 8.370 nan 0.000 0.508 134 A N 1.014 123.824 122.820 -0.018 0.000 2.565 134 A HA 0.072 4.395 4.320 0.006 0.000 0.237 134 A C 0.464 178.126 177.584 0.130 0.000 1.053 134 A CA 0.412 52.473 52.037 0.040 0.000 0.755 134 A CB 0.227 19.251 19.000 0.040 0.000 0.980 134 A HN -0.008 nan 8.150 nan 0.000 0.506 135 K N 1.721 122.198 120.400 0.128 0.000 2.182 135 K HA 0.381 4.705 4.320 0.006 0.000 0.262 135 K C -0.393 176.230 176.600 0.038 0.000 0.957 135 K CA -0.777 55.583 56.287 0.122 0.000 0.842 135 K CB 1.380 33.917 32.500 0.061 0.000 1.099 135 K HN 0.862 nan 8.250 nan 0.000 0.438 136 D N 0.080 120.439 120.400 -0.070 0.000 2.478 136 D HA -0.002 4.642 4.640 0.006 0.000 0.274 136 D C 0.576 176.812 176.300 -0.107 0.000 1.234 136 D CA 0.031 53.874 54.000 -0.263 0.000 1.069 136 D CB 0.233 40.760 40.800 -0.455 0.000 1.113 136 D HN 0.584 nan 8.370 nan 0.000 0.571 137 H N -2.113 116.841 119.070 -0.193 0.000 2.561 137 H HA -0.041 4.519 4.556 0.006 0.000 0.278 137 H C 0.081 175.063 175.328 -0.576 0.000 1.014 137 H CA 0.512 56.347 56.048 -0.355 0.000 1.211 137 H CB 0.008 29.519 29.762 -0.418 0.000 1.365 137 H HN 0.312 nan 8.280 nan 0.000 0.594 138 Y N -0.446 119.856 120.300 0.003 0.000 2.636 138 Y HA 0.097 4.650 4.550 0.006 0.000 0.260 138 Y C 0.078 175.930 175.900 -0.080 0.000 1.177 138 Y CA -0.493 57.584 58.100 -0.039 0.000 1.209 138 Y CB 0.508 38.934 38.460 -0.058 0.000 1.166 138 Y HN 0.027 nan 8.280 nan 0.000 0.531 139 D N -0.261 120.140 120.400 0.002 0.000 3.041 139 D HA -0.165 4.479 4.640 0.006 0.000 0.220 139 D C 0.142 176.376 176.300 -0.110 0.000 1.157 139 D CA 0.997 54.981 54.000 -0.027 0.000 0.876 139 D CB -1.083 39.705 40.800 -0.020 0.000 1.107 139 D HN 0.346 nan 8.370 nan 0.000 0.422 140 A N -0.052 122.691 122.820 -0.129 0.000 2.303 140 A HA 0.708 5.031 4.320 0.006 0.000 0.317 140 A C 0.903 178.536 177.584 0.082 0.000 1.149 140 A CA 0.284 52.138 52.037 -0.306 0.000 0.822 140 A CB 1.036 19.896 19.000 -0.232 0.000 1.131 140 A HN 0.198 nan 8.150 nan 0.000 0.493 141 T N -1.625 113.079 114.554 0.249 0.000 2.937 141 T HA 0.609 4.962 4.350 0.006 0.000 0.283 141 T C 1.280 176.041 174.700 0.103 0.000 1.012 141 T CA 0.003 62.249 62.100 0.245 0.000 0.997 141 T CB 1.260 70.269 68.868 0.234 0.000 1.136 141 T HN 1.237 nan 8.240 nan 0.000 0.551 142 A N 0.575 123.245 122.820 -0.250 0.000 1.908 142 A HA -0.060 4.264 4.320 0.006 0.000 0.218 142 A C 2.353 179.911 177.584 -0.044 0.000 1.181 142 A CA 1.920 53.822 52.037 -0.224 0.000 0.627 142 A CB -1.082 17.738 19.000 -0.300 0.000 0.818 142 A HN 0.918 nan 8.150 nan 0.000 0.445 143 M N -1.317 118.269 119.600 -0.023 0.000 2.213 143 M HA -0.172 4.312 4.480 0.006 0.000 0.263 143 M C 2.026 178.311 176.300 -0.025 0.000 1.062 143 M CA 1.502 56.783 55.300 -0.032 0.000 1.105 143 M CB -0.400 32.162 32.600 -0.063 0.000 1.385 143 M HN 0.578 nan 8.290 nan 0.000 0.417 144 H N -0.527 118.549 119.070 0.010 0.000 2.353 144 H HA -0.124 4.436 4.556 0.006 0.000 0.300 144 H C 2.178 177.517 175.328 0.018 0.000 1.090 144 H CA 1.667 57.731 56.048 0.027 0.000 1.327 144 H CB -0.172 29.616 29.762 0.043 0.000 1.383 144 H HN 0.423 nan 8.280 nan 0.000 0.508 145 R N 0.365 120.953 120.500 0.146 0.000 2.073 145 R HA -0.066 4.277 4.340 0.006 0.000 0.234 145 R C 2.623 178.944 176.300 0.034 0.000 1.134 145 R CA 1.139 57.285 56.100 0.076 0.000 0.952 145 R CB -0.181 30.154 30.300 0.059 0.000 0.850 145 R HN 0.213 nan 8.270 nan 0.000 0.433 146 A N 0.847 123.673 122.820 0.010 0.000 1.902 146 A HA -0.100 4.223 4.320 0.006 0.000 0.217 146 A C 2.311 179.885 177.584 -0.017 0.000 1.181 146 A CA 1.682 53.709 52.037 -0.017 0.000 0.623 146 A CB -0.679 18.298 19.000 -0.038 0.000 0.818 146 A HN 0.419 nan 8.150 nan 0.000 0.443 147 A N -0.117 122.696 122.820 -0.011 0.000 1.873 147 A HA 0.191 4.515 4.320 0.006 0.000 0.215 147 A C 2.525 180.112 177.584 0.004 0.000 1.186 147 A CA 2.049 54.079 52.037 -0.011 0.000 0.616 147 A CB -1.084 17.901 19.000 -0.025 0.000 0.823 147 A HN 1.056 nan 8.150 nan 0.000 0.442 148 A N -0.038 122.796 122.820 0.023 0.000 1.908 148 A HA -0.179 4.144 4.320 0.006 0.000 0.218 148 A C 2.035 179.630 177.584 0.019 0.000 1.181 148 A CA 1.864 53.919 52.037 0.031 0.000 0.627 148 A CB -0.420 18.610 19.000 0.050 0.000 0.818 148 A HN 0.546 nan 8.150 nan 0.000 0.445 149 K N -1.517 118.891 120.400 0.014 0.000 2.459 149 K HA 0.228 4.552 4.320 0.006 0.000 0.193 149 K C 0.880 177.479 176.600 -0.001 0.000 1.030 149 K CA 0.454 56.747 56.287 0.009 0.000 1.026 149 K CB -0.041 32.465 32.500 0.010 0.000 0.809 149 K HN 0.705 nan 8.250 nan 0.000 0.504 150 G N 2.286 111.081 108.800 -0.008 0.000 2.171 150 G HA2 -0.187 3.776 3.960 0.006 0.000 0.238 150 G HA3 -0.187 3.776 3.960 0.006 0.000 0.238 150 G C -0.642 174.239 174.900 -0.031 0.000 1.039 150 G CA -0.406 44.683 45.100 -0.018 0.000 0.759 150 G HN 0.230 nan 8.290 nan 0.000 0.501 151 N N 0.847 119.523 118.700 -0.040 0.000 3.188 151 N HA 0.291 5.034 4.740 0.006 0.000 0.279 151 N C 1.775 177.222 175.510 -0.106 0.000 1.213 151 N CA -0.364 52.659 53.050 -0.045 0.000 1.138 151 N CB 0.713 39.173 38.487 -0.044 0.000 1.417 151 N HN 0.384 nan 8.380 nan 0.000 0.526 152 L N 0.873 122.000 121.223 -0.159 0.000 1.978 152 L HA -0.284 4.059 4.340 0.006 0.000 0.218 152 L C 1.827 178.298 176.870 -0.665 0.000 1.075 152 L CA 1.801 56.423 54.840 -0.363 0.000 0.767 152 L CB 0.001 41.875 42.059 -0.308 0.000 0.890 152 L HN 0.389 nan 8.230 nan 0.000 0.434 153 K N -1.082 119.066 120.400 -0.420 0.000 2.103 153 K HA -0.258 4.066 4.320 0.006 0.000 0.207 153 K C 1.914 178.418 176.600 -0.159 0.000 1.048 153 K CA 1.735 57.806 56.287 -0.359 0.000 0.930 153 K CB -0.193 32.166 32.500 -0.236 0.000 0.716 153 K HN 0.180 nan 8.250 nan 0.000 0.444 154 M N 0.653 120.255 119.600 0.004 0.000 2.175 154 M HA -0.109 4.375 4.480 0.006 0.000 0.264 154 M C 1.725 177.977 176.300 -0.080 0.000 1.063 154 M CA 1.419 56.734 55.300 0.025 0.000 1.119 154 M CB 0.030 32.610 32.600 -0.034 0.000 1.377 154 M HN -0.109 nan 8.290 nan 0.000 0.415 155 V N 0.023 119.828 119.914 -0.183 0.000 2.427 155 V HA -0.283 3.841 4.120 0.006 0.000 0.248 155 V C 2.389 178.393 176.094 -0.151 0.000 1.051 155 V CA 1.709 63.930 62.300 -0.133 0.000 1.048 155 V CB -1.240 30.514 31.823 -0.115 0.000 0.666 155 V HN 0.478 nan 8.190 nan 0.000 0.456 156 H N -0.122 118.673 119.070 -0.459 0.000 2.293 156 H HA -0.059 4.501 4.556 0.006 0.000 0.300 156 H C 2.339 177.249 175.328 -0.697 0.000 1.082 156 H CA 1.790 57.303 56.048 -0.892 0.000 1.308 156 H CB -0.531 28.766 29.762 -0.775 0.000 1.375 156 H HN 0.326 nan 8.280 nan 0.000 0.495 157 I N 0.397 120.918 120.570 -0.080 0.000 2.194 157 I HA -0.287 3.887 4.170 0.006 0.000 0.246 157 I C 2.380 178.630 176.117 0.222 0.000 1.093 157 I CA 1.093 62.488 61.300 0.158 0.000 1.355 157 I CB -0.313 37.813 38.000 0.209 0.000 1.046 157 I HN 0.103 nan 8.210 nan 0.000 0.413 158 L N -0.344 120.938 121.223 0.097 0.000 2.027 158 L HA -0.222 4.122 4.340 0.006 0.000 0.206 158 L C 2.510 179.460 176.870 0.133 0.000 1.074 158 L CA 0.938 55.846 54.840 0.113 0.000 0.745 158 L CB -0.548 41.531 42.059 0.033 0.000 0.898 158 L HN 0.265 nan 8.230 nan 0.000 0.433 159 L N -0.599 120.663 121.223 0.065 0.000 2.046 159 L HA -0.220 4.124 4.340 0.006 0.000 0.208 159 L C 2.507 179.509 176.870 0.220 0.000 1.077 159 L CA 2.023 56.921 54.840 0.096 0.000 0.747 159 L CB -1.040 41.076 42.059 0.096 0.000 0.896 159 L HN 0.280 nan 8.230 nan 0.000 0.432 160 F N -2.092 117.946 119.950 0.147 0.000 2.546 160 F HA -0.216 4.314 4.527 0.006 0.000 0.298 160 F C 1.268 176.969 175.800 -0.165 0.000 1.120 160 F CA 0.141 58.138 58.000 -0.005 0.000 1.456 160 F CB -0.060 38.921 39.000 -0.031 0.000 1.088 160 F HN 0.080 nan 8.300 nan 0.000 0.572 161 Y N 0.130 120.556 120.300 0.210 0.000 2.720 161 Y HA 0.183 4.737 4.550 0.007 0.000 0.277 161 Y C 0.438 176.389 175.900 0.085 0.000 1.144 161 Y CA -0.908 57.265 58.100 0.120 0.000 1.221 161 Y CB -0.203 38.308 38.460 0.084 0.000 1.163 161 Y HN -0.154 nan 8.280 nan 0.000 0.537 162 K N -1.053 119.454 120.400 0.180 0.000 3.088 162 K HA -0.210 4.113 4.320 0.006 0.000 0.273 162 K C 0.228 176.885 176.600 0.096 0.000 1.111 162 K CA 0.771 57.130 56.287 0.120 0.000 0.803 162 K CB -1.848 30.707 32.500 0.091 0.000 1.226 162 K HN 0.403 nan 8.250 nan 0.000 0.485 163 A N 0.877 123.757 122.820 0.099 0.000 2.498 163 A HA 0.310 4.634 4.320 0.006 0.000 0.239 163 A C 0.562 178.168 177.584 0.037 0.000 1.068 163 A CA 0.206 52.277 52.037 0.058 0.000 0.766 163 A CB 0.366 19.392 19.000 0.043 0.000 1.003 163 A HN 0.258 nan 8.150 nan 0.000 0.497 164 S N 0.572 116.288 115.700 0.027 0.000 2.545 164 S HA 0.329 4.802 4.470 0.006 0.000 0.275 164 S C 1.511 176.111 174.600 0.000 0.000 1.299 164 S CA 0.150 58.361 58.200 0.019 0.000 1.048 164 S CB 1.146 64.363 63.200 0.028 0.000 0.938 164 S HN 0.964 nan 8.310 nan 0.000 0.496 165 T N -1.033 113.512 114.554 -0.015 0.000 3.081 165 T HA 0.120 4.474 4.350 0.006 0.000 0.250 165 T C 0.521 175.198 174.700 -0.037 0.000 1.100 165 T CA 0.042 62.115 62.100 -0.045 0.000 1.038 165 T CB -0.115 68.717 68.868 -0.060 0.000 0.962 165 T HN 0.453 nan 8.240 nan 0.000 0.516 166 N N 1.074 119.775 118.700 0.002 0.000 2.328 166 N HA 0.347 5.091 4.740 0.006 0.000 0.247 166 N C -0.401 175.151 175.510 0.071 0.000 1.165 166 N CA -0.172 52.897 53.050 0.031 0.000 0.873 166 N CB 0.724 39.232 38.487 0.034 0.000 1.125 166 N HN 0.476 nan 8.380 nan 0.000 0.513 167 I N 1.467 122.089 120.570 0.088 0.000 2.496 167 I HA 0.017 4.190 4.170 0.006 0.000 0.285 167 I C 0.467 176.729 176.117 0.242 0.000 1.080 167 I CA 0.100 61.490 61.300 0.150 0.000 1.404 167 I CB 0.686 38.793 38.000 0.178 0.000 1.403 167 I HN -0.153 nan 8.210 nan 0.000 0.539 168 Q N 4.895 124.801 119.800 0.176 0.000 2.256 168 Q HA 0.220 4.564 4.340 0.006 0.000 0.257 168 Q C -0.769 175.280 176.000 0.082 0.000 0.936 168 Q CA -0.951 54.950 55.803 0.163 0.000 0.903 168 Q CB 1.898 30.691 28.738 0.091 0.000 1.263 168 Q HN 0.582 nan 8.270 nan 0.000 0.440 169 D N -0.037 120.375 120.400 0.020 0.000 2.447 169 D HA -0.017 4.626 4.640 0.006 0.000 0.265 169 D C 1.034 177.323 176.300 -0.018 0.000 1.250 169 D CA -0.295 53.650 54.000 -0.092 0.000 1.046 169 D CB 0.187 40.845 40.800 -0.235 0.000 1.095 169 D HN 0.561 nan 8.370 nan 0.000 0.555 170 T N -3.320 111.240 114.554 0.010 0.000 2.977 170 T HA -0.144 4.210 4.350 0.006 0.000 0.271 170 T C 1.051 175.759 174.700 0.013 0.000 1.105 170 T CA 1.040 63.157 62.100 0.028 0.000 1.116 170 T CB -0.416 68.499 68.868 0.079 0.000 0.878 170 T HN 0.530 nan 8.240 nan 0.000 0.509 171 E N 0.609 120.806 120.200 -0.005 0.000 2.479 171 E HA 0.317 4.671 4.350 0.006 0.000 0.193 171 E C 1.469 178.034 176.600 -0.058 0.000 1.049 171 E CA 0.100 56.485 56.400 -0.026 0.000 0.870 171 E CB 0.022 29.703 29.700 -0.032 0.000 0.944 171 E HN 0.677 nan 8.360 nan 0.000 0.492 172 G N 2.017 110.788 108.800 -0.048 0.000 2.159 172 G HA2 -0.217 3.747 3.960 0.006 0.000 0.256 172 G HA3 -0.217 3.747 3.960 0.006 0.000 0.256 172 G C -0.026 174.784 174.900 -0.151 0.000 0.977 172 G CA -0.204 44.856 45.100 -0.067 0.000 0.652 172 G HN 0.147 nan 8.290 nan 0.000 0.531 173 N N 1.282 119.905 118.700 -0.129 0.000 2.499 173 N HA 0.527 5.271 4.740 0.006 0.000 0.281 173 N C 0.762 176.415 175.510 0.239 0.000 1.098 173 N CA 0.685 53.647 53.050 -0.146 0.000 0.979 173 N CB 1.447 39.915 38.487 -0.032 0.000 1.121 173 N HN 0.581 nan 8.380 nan 0.000 0.466 174 T N -1.486 113.312 114.554 0.407 0.000 2.897 174 T HA 0.397 4.751 4.350 0.006 0.000 0.278 174 T C -1.871 172.842 174.700 0.022 0.000 0.981 174 T CA -1.746 60.491 62.100 0.229 0.000 0.973 174 T CB 1.733 70.707 68.868 0.176 0.000 1.092 174 T HN 0.069 nan 8.240 nan 0.000 0.543 175 P HA -0.008 nan 4.420 nan 0.000 0.218 175 P C 1.639 178.890 177.300 -0.081 0.000 1.149 175 P CA 0.267 63.203 63.100 -0.274 0.000 0.817 175 P CB -0.040 31.462 31.700 -0.331 0.000 0.785 176 L N -1.126 120.048 121.223 -0.083 0.000 2.046 176 L HA -0.180 4.164 4.340 0.006 0.000 0.208 176 L C 2.116 178.939 176.870 -0.078 0.000 1.077 176 L CA 2.036 56.818 54.840 -0.097 0.000 0.747 176 L CB -1.379 40.584 42.059 -0.160 0.000 0.896 176 L HN 0.028 nan 8.230 nan 0.000 0.432 177 H N -1.633 117.422 119.070 -0.025 0.000 2.353 177 H HA -0.194 4.366 4.556 0.006 0.000 0.298 177 H C 1.956 177.288 175.328 0.008 0.000 1.103 177 H CA 2.090 58.138 56.048 -0.001 0.000 1.293 177 H CB -0.055 29.722 29.762 0.025 0.000 1.372 177 H HN 0.209 nan 8.280 nan 0.000 0.501 178 L N -0.009 121.303 121.223 0.149 0.000 2.072 178 L HA -0.052 4.292 4.340 0.006 0.000 0.205 178 L C 2.583 179.482 176.870 0.048 0.000 1.079 178 L CA 1.661 56.558 54.840 0.095 0.000 0.752 178 L CB -1.106 41.013 42.059 0.100 0.000 0.906 178 L HN 0.311 nan 8.230 nan 0.000 0.436 179 A N -1.496 121.337 122.820 0.023 0.000 1.902 179 A HA -0.243 4.081 4.320 0.006 0.000 0.217 179 A C 2.496 180.084 177.584 0.006 0.000 1.181 179 A CA 1.936 53.977 52.037 0.007 0.000 0.623 179 A CB -1.296 17.701 19.000 -0.006 0.000 0.818 179 A HN 0.523 nan 8.150 nan 0.000 0.443 180 C N -0.852 118.447 119.300 -0.001 0.000 2.432 180 C HA -0.097 4.366 4.460 0.006 0.000 0.277 180 C C 2.504 177.502 174.990 0.014 0.000 1.249 180 C CA 1.363 60.378 59.018 -0.005 0.000 1.725 180 C CB -1.261 26.462 27.740 -0.029 0.000 2.028 180 C HN 0.808 nan 8.230 nan 0.000 0.477 181 D N 0.382 120.803 120.400 0.035 0.000 2.221 181 D HA -0.130 4.514 4.640 0.006 0.000 0.204 181 D C 1.778 178.093 176.300 0.025 0.000 0.982 181 D CA 1.121 55.143 54.000 0.037 0.000 0.857 181 D CB -0.132 40.699 40.800 0.052 0.000 0.934 181 D HN 0.584 nan 8.370 nan 0.000 0.475 182 E N -0.108 120.106 120.200 0.022 0.000 2.465 182 E HA 0.024 4.377 4.350 0.006 0.000 0.195 182 E C -0.223 176.384 176.600 0.011 0.000 1.028 182 E CA -0.067 56.343 56.400 0.016 0.000 0.899 182 E CB 0.310 30.020 29.700 0.017 0.000 1.032 182 E HN 0.349 nan 8.360 nan 0.000 0.468 183 E N 1.876 122.082 120.200 0.009 0.000 2.389 183 E HA -0.192 4.161 4.350 0.006 0.000 0.243 183 E C -0.728 175.874 176.600 0.005 0.000 1.154 183 E CA 0.035 56.439 56.400 0.006 0.000 0.723 183 E CB -0.329 29.375 29.700 0.006 0.000 1.261 183 E HN 0.063 nan 8.360 nan 0.000 0.390 184 R N 0.743 121.246 120.500 0.005 0.000 2.608 184 R HA 0.121 4.465 4.340 0.006 0.000 0.277 184 R C 1.265 177.568 176.300 0.006 0.000 1.341 184 R CA 0.015 56.117 56.100 0.003 0.000 1.199 184 R CB 0.414 30.715 30.300 0.001 0.000 1.156 184 R HN 0.058 nan 8.270 nan 0.000 0.558 185 V N 1.654 121.573 119.914 0.008 0.000 2.220 185 V HA -0.279 3.845 4.120 0.006 0.000 0.246 185 V C 2.061 178.171 176.094 0.027 0.000 1.049 185 V CA 1.707 64.015 62.300 0.013 0.000 1.003 185 V CB -0.133 31.697 31.823 0.012 0.000 0.634 185 V HN 0.512 nan 8.190 nan 0.000 0.444 186 E N -0.145 120.073 120.200 0.030 0.000 2.160 186 E HA -0.228 4.125 4.350 0.006 0.000 0.195 186 E C 2.168 178.821 176.600 0.088 0.000 0.991 186 E CA 1.283 57.717 56.400 0.056 0.000 0.810 186 E CB -0.257 29.463 29.700 0.034 0.000 0.742 186 E HN 0.681 nan 8.360 nan 0.000 0.466 187 E N 0.950 121.179 120.200 0.048 0.000 2.031 187 E HA -0.109 4.245 4.350 0.006 0.000 0.193 187 E C 2.010 178.669 176.600 0.098 0.000 0.994 187 E CA 1.395 57.835 56.400 0.066 0.000 0.800 187 E CB -0.458 29.250 29.700 0.013 0.000 0.752 187 E HN 0.262 nan 8.360 nan 0.000 0.447 188 A N 1.361 124.207 122.820 0.042 0.000 1.883 188 A HA -0.286 4.037 4.320 0.006 0.000 0.217 188 A C 1.950 179.542 177.584 0.014 0.000 1.186 188 A CA 1.975 54.017 52.037 0.009 0.000 0.624 188 A CB -0.471 18.520 19.000 -0.014 0.000 0.822 188 A HN 0.097 nan 8.150 nan 0.000 0.444 189 K N -1.633 118.793 120.400 0.043 0.000 2.032 189 K HA -0.162 4.161 4.320 0.006 0.000 0.209 189 K C 1.867 178.509 176.600 0.070 0.000 1.048 189 K CA 1.650 57.963 56.287 0.044 0.000 0.927 189 K CB -0.453 32.084 32.500 0.062 0.000 0.712 189 K HN 0.507 nan 8.250 nan 0.000 0.441 190 F N 2.193 122.149 119.950 0.010 0.000 2.126 190 F HA -0.165 4.365 4.527 0.006 0.000 0.299 190 F C 1.901 177.702 175.800 0.002 0.000 1.096 190 F CA 1.229 59.247 58.000 0.030 0.000 1.255 190 F CB -0.272 38.780 39.000 0.087 0.000 0.997 190 F HN -0.098 nan 8.300 nan 0.000 0.479 191 L N -0.809 120.370 121.223 -0.073 0.000 2.046 191 L HA -0.226 4.117 4.340 0.006 0.000 0.208 191 L C 2.385 179.128 176.870 -0.212 0.000 1.077 191 L CA 1.094 55.825 54.840 -0.182 0.000 0.747 191 L CB -0.799 41.221 42.059 -0.066 0.000 0.896 191 L HN 0.012 nan 8.230 nan 0.000 0.432 192 V N -0.953 118.871 119.914 -0.150 0.000 2.358 192 V HA -0.257 3.867 4.120 0.006 0.000 0.246 192 V C 2.489 178.494 176.094 -0.149 0.000 1.047 192 V CA 2.181 64.397 62.300 -0.140 0.000 1.035 192 V CB -0.534 31.220 31.823 -0.115 0.000 0.658 192 V HN 0.445 nan 8.190 nan 0.000 0.452 193 T N -1.090 113.365 114.554 -0.165 0.000 2.881 193 T HA -0.199 4.155 4.350 0.006 0.000 0.270 193 T C 1.732 176.296 174.700 -0.227 0.000 1.068 193 T CA 1.195 63.202 62.100 -0.155 0.000 1.131 193 T CB -0.191 68.609 68.868 -0.114 0.000 0.871 193 T HN 0.287 nan 8.240 nan 0.000 0.479 194 Q N -0.282 119.293 119.800 -0.375 0.000 2.320 194 Q HA 0.304 4.647 4.340 0.006 0.000 0.201 194 Q C 1.408 177.287 176.000 -0.201 0.000 0.910 194 Q CA 0.498 56.078 55.803 -0.372 0.000 0.946 194 Q CB -0.109 28.208 28.738 -0.702 0.000 1.062 194 Q HN 0.535 nan 8.270 nan 0.000 0.503 195 G N -1.347 107.361 108.800 -0.153 0.000 2.195 195 G HA2 -0.238 3.726 3.960 0.006 0.000 0.224 195 G HA3 -0.238 3.726 3.960 0.006 0.000 0.224 195 G C 0.330 175.182 174.900 -0.081 0.000 0.990 195 G CA -0.078 44.968 45.100 -0.091 0.000 0.639 195 G HN 0.648 nan 8.290 nan 0.000 0.514 196 A N 0.386 123.140 122.820 -0.110 0.000 2.561 196 A HA 0.559 4.883 4.320 0.006 0.000 0.234 196 A C 0.978 178.504 177.584 -0.097 0.000 1.055 196 A CA 1.393 53.372 52.037 -0.095 0.000 0.756 196 A CB 0.378 19.309 19.000 -0.115 0.000 0.986 196 A HN 1.701 nan 8.150 nan 0.000 0.505 197 S N 0.853 116.509 115.700 -0.072 0.000 2.523 197 S HA 0.345 4.818 4.470 0.006 0.000 0.275 197 S C 0.911 175.385 174.600 -0.210 0.000 1.281 197 S CA -0.094 58.063 58.200 -0.072 0.000 1.050 197 S CB -0.126 63.099 63.200 0.041 0.000 0.937 197 S HN 0.874 nan 8.310 nan 0.000 0.492 198 I N 2.288 122.591 120.570 -0.445 0.000 3.875 198 I HA 0.261 4.435 4.170 0.006 0.000 0.329 198 I C -0.019 175.773 176.117 -0.542 0.000 1.295 198 I CA 0.045 61.026 61.300 -0.532 0.000 1.129 198 I CB -0.247 37.373 38.000 -0.633 0.000 1.008 198 I HN 0.552 nan 8.210 nan 0.000 0.413 199 Y N 1.318 121.592 120.300 -0.042 0.000 2.458 199 Y HA 0.444 4.997 4.550 0.006 0.000 0.254 199 Y C 1.126 177.038 175.900 0.020 0.000 1.120 199 Y CA -0.946 57.147 58.100 -0.011 0.000 1.282 199 Y CB -0.032 38.425 38.460 -0.005 0.000 1.109 199 Y HN 0.051 nan 8.280 nan 0.000 0.526 200 I N 2.145 122.803 120.570 0.147 0.000 2.517 200 I HA -0.009 4.165 4.170 0.006 0.000 0.285 200 I C 0.175 176.441 176.117 0.247 0.000 1.106 200 I CA 0.265 61.674 61.300 0.181 0.000 1.402 200 I CB 0.392 38.508 38.000 0.192 0.000 1.399 200 I HN 0.136 nan 8.210 nan 0.000 0.535 201 E N 5.843 126.151 120.200 0.181 0.000 2.313 201 E HA 0.081 4.434 4.350 0.006 0.000 0.276 201 E C -0.288 176.364 176.600 0.086 0.000 1.031 201 E CA -0.528 55.966 56.400 0.158 0.000 0.857 201 E CB 0.862 30.617 29.700 0.093 0.000 1.040 201 E HN 0.570 nan 8.360 nan 0.000 0.408 202 N N 1.916 120.607 118.700 -0.014 0.000 2.452 202 N HA 0.035 4.779 4.740 0.006 0.000 0.296 202 N C 0.437 175.908 175.510 -0.064 0.000 1.304 202 N CA -0.277 52.670 53.050 -0.173 0.000 0.956 202 N CB 0.343 38.582 38.487 -0.414 0.000 1.106 202 N HN 0.211 nan 8.380 nan 0.000 0.555 203 K N -0.748 119.612 120.400 -0.066 0.000 2.365 203 K HA 0.003 4.327 4.320 0.006 0.000 0.199 203 K C 0.469 177.060 176.600 -0.016 0.000 1.045 203 K CA 0.850 57.120 56.287 -0.028 0.000 0.962 203 K CB -0.050 32.436 32.500 -0.023 0.000 0.759 203 K HN 0.563 nan 8.250 nan 0.000 0.469 204 E N 0.961 121.149 120.200 -0.020 0.000 2.437 204 E HA -0.021 4.332 4.350 0.006 0.000 0.189 204 E C -0.793 175.813 176.600 0.010 0.000 1.054 204 E CA -0.043 56.355 56.400 -0.003 0.000 0.874 204 E CB 0.201 29.900 29.700 -0.002 0.000 1.011 204 E HN 0.176 nan 8.360 nan 0.000 0.474 205 E N 1.079 121.286 120.200 0.013 0.000 2.360 205 E HA -0.194 4.160 4.350 0.006 0.000 0.238 205 E C -0.613 176.018 176.600 0.051 0.000 1.186 205 E CA 0.575 56.994 56.400 0.032 0.000 0.719 205 E CB -0.672 29.044 29.700 0.027 0.000 1.236 205 E HN 0.071 nan 8.360 nan 0.000 0.386 206 K N 0.790 121.230 120.400 0.065 0.000 2.270 206 K HA 0.337 4.660 4.320 0.006 0.000 0.255 206 K C 0.506 177.226 176.600 0.200 0.000 0.936 206 K CA -0.389 55.958 56.287 0.099 0.000 0.809 206 K CB 1.742 34.293 32.500 0.086 0.000 1.131 206 K HN 0.194 nan 8.250 nan 0.000 0.427 207 T N -1.354 113.298 114.554 0.163 0.000 2.824 207 T HA 0.284 4.637 4.350 0.006 0.000 0.277 207 T C -1.809 172.903 174.700 0.020 0.000 0.975 207 T CA -1.654 60.532 62.100 0.144 0.000 0.966 207 T CB 1.038 69.933 68.868 0.044 0.000 1.054 207 T HN 0.097 nan 8.240 nan 0.000 0.533 208 P HA -0.006 nan 4.420 nan 0.000 0.218 208 P C 1.548 178.766 177.300 -0.136 0.000 1.149 208 P CA 0.407 63.291 63.100 -0.359 0.000 0.817 208 P CB -0.070 31.336 31.700 -0.489 0.000 0.785 209 L N -0.539 120.613 121.223 -0.119 0.000 2.017 209 L HA -0.187 4.157 4.340 0.006 0.000 0.208 209 L C 2.324 179.180 176.870 -0.024 0.000 1.073 209 L CA 1.921 56.718 54.840 -0.072 0.000 0.745 209 L CB -1.610 40.406 42.059 -0.071 0.000 0.894 209 L HN 0.018 nan 8.230 nan 0.000 0.432 210 Q N -1.683 118.118 119.800 0.002 0.000 2.291 210 Q HA -0.102 4.242 4.340 0.006 0.000 0.205 210 Q C 2.095 178.114 176.000 0.032 0.000 0.970 210 Q CA 0.806 56.623 55.803 0.024 0.000 0.876 210 Q CB 0.030 28.793 28.738 0.041 0.000 0.935 210 Q HN 0.332 nan 8.270 nan 0.000 0.455 211 V N 0.189 120.127 119.914 0.040 0.000 3.052 211 V HA 0.054 4.177 4.120 0.006 0.000 0.254 211 V C 0.857 176.967 176.094 0.026 0.000 1.100 211 V CA 0.599 62.930 62.300 0.052 0.000 1.112 211 V CB -0.057 31.830 31.823 0.107 0.000 0.738 211 V HN 0.263 nan 8.190 nan 0.000 0.469 212 A N -0.213 122.611 122.820 0.006 0.000 2.246 212 A HA 0.444 4.767 4.320 0.006 0.000 0.291 212 A C 0.391 177.976 177.584 0.001 0.000 1.103 212 A CA -0.439 51.597 52.037 -0.002 0.000 0.844 212 A CB 0.307 19.296 19.000 -0.019 0.000 1.136 212 A HN 0.151 nan 8.150 nan 0.000 0.500 213 K N 0.159 120.559 120.400 -0.000 0.000 2.414 213 K HA 0.087 4.411 4.320 0.006 0.000 0.272 213 K C 1.634 178.233 176.600 -0.001 0.000 0.993 213 K CA 0.800 57.088 56.287 0.001 0.000 0.964 213 K CB 0.527 33.028 32.500 0.001 0.000 0.925 213 K HN 0.836 nan 8.250 nan 0.000 0.487 214 G N 2.902 111.702 108.800 0.001 0.000 2.681 214 G HA2 -0.344 3.620 3.960 0.006 0.000 0.220 214 G HA3 -0.344 3.620 3.960 0.006 0.000 0.220 214 G C 1.490 176.388 174.900 -0.003 0.000 1.210 214 G CA 1.465 46.565 45.100 0.000 0.000 0.783 214 G HN 0.709 nan 8.290 nan 0.000 0.609 215 G N 0.336 109.134 108.800 -0.002 0.000 2.440 215 G HA2 -0.193 3.771 3.960 0.006 0.000 0.218 215 G HA3 -0.193 3.771 3.960 0.006 0.000 0.218 215 G C 1.793 176.689 174.900 -0.007 0.000 1.154 215 G CA 0.820 45.919 45.100 -0.003 0.000 0.767 215 G HN 0.416 nan 8.290 nan 0.000 0.552 216 L N 0.670 121.888 121.223 -0.008 0.000 2.042 216 L HA -0.071 4.272 4.340 0.006 0.000 0.210 216 L C 3.000 179.856 176.870 -0.023 0.000 1.076 216 L CA 1.683 56.516 54.840 -0.013 0.000 0.749 216 L CB -0.709 41.343 42.059 -0.012 0.000 0.893 216 L HN 0.352 nan 8.230 nan 0.000 0.432 217 G N -0.038 108.748 108.800 -0.024 0.000 2.459 217 G HA2 -0.276 3.688 3.960 0.006 0.000 0.217 217 G HA3 -0.276 3.688 3.960 0.006 0.000 0.217 217 G C 1.531 176.411 174.900 -0.033 0.000 1.183 217 G CA 0.832 45.912 45.100 -0.034 0.000 0.776 217 G HN 0.366 nan 8.290 nan 0.000 0.552 218 L N 0.123 121.335 121.223 -0.020 0.000 2.131 218 L HA -0.022 4.322 4.340 0.006 0.000 0.210 218 L C 2.839 179.699 176.870 -0.018 0.000 1.092 218 L CA 0.523 55.354 54.840 -0.015 0.000 0.759 218 L CB -0.382 41.673 42.059 -0.006 0.000 0.903 218 L HN 0.229 nan 8.230 nan 0.000 0.435 219 I N -0.251 120.308 120.570 -0.018 0.000 2.163 219 I HA -0.291 3.883 4.170 0.006 0.000 0.240 219 I C 2.430 178.530 176.117 -0.028 0.000 1.081 219 I CA 1.318 62.608 61.300 -0.017 0.000 1.353 219 I CB -0.271 37.722 38.000 -0.011 0.000 1.054 219 I HN 0.192 nan 8.210 nan 0.000 0.407 220 L N 0.378 121.575 121.223 -0.043 0.000 2.079 220 L HA -0.222 4.122 4.340 0.006 0.000 0.210 220 L C 2.670 179.491 176.870 -0.083 0.000 1.081 220 L CA 1.071 55.870 54.840 -0.068 0.000 0.752 220 L CB -0.739 41.266 42.059 -0.091 0.000 0.896 220 L HN 0.232 nan 8.230 nan 0.000 0.433 221 K N 0.371 120.728 120.400 -0.072 0.000 2.009 221 K HA -0.199 4.124 4.320 0.006 0.000 0.210 221 K C 2.316 178.896 176.600 -0.032 0.000 1.049 221 K CA 1.433 57.684 56.287 -0.061 0.000 0.929 221 K CB -0.264 32.217 32.500 -0.031 0.000 0.714 221 K HN 0.091 nan 8.250 nan 0.000 0.440 222 R N 0.922 121.410 120.500 -0.021 0.000 2.083 222 R HA -0.068 4.275 4.340 0.006 0.000 0.237 222 R C 2.440 178.732 176.300 -0.013 0.000 1.137 222 R CA 1.217 57.312 56.100 -0.009 0.000 0.951 222 R CB -0.793 29.503 30.300 -0.007 0.000 0.851 222 R HN 0.275 nan 8.270 nan 0.000 0.434 223 L N -0.123 121.086 121.223 -0.023 0.000 2.131 223 L HA -0.131 4.213 4.340 0.006 0.000 0.210 223 L C 2.582 179.432 176.870 -0.033 0.000 1.092 223 L CA 1.260 56.085 54.840 -0.025 0.000 0.759 223 L CB -0.612 41.429 42.059 -0.030 0.000 0.903 223 L HN 0.183 nan 8.230 nan 0.000 0.435 224 A N 0.185 122.976 122.820 -0.048 0.000 1.897 224 A HA -0.170 4.154 4.320 0.006 0.000 0.215 224 A C 2.127 179.715 177.584 0.008 0.000 1.181 224 A CA 1.254 53.264 52.037 -0.046 0.000 0.620 224 A CB -0.309 18.622 19.000 -0.114 0.000 0.821 224 A HN 0.444 nan 8.150 nan 0.000 0.443 225 E N -0.471 119.740 120.200 0.019 0.000 2.274 225 E HA -0.059 4.294 4.350 0.006 0.000 0.194 225 E C 1.991 178.603 176.600 0.020 0.000 0.996 225 E CA 0.532 56.955 56.400 0.038 0.000 0.840 225 E CB -0.256 29.467 29.700 0.039 0.000 0.772 225 E HN 0.611 nan 8.360 nan 0.000 0.491 226 G N 1.561 110.365 108.800 0.007 0.000 2.402 226 G HA2 -0.229 3.735 3.960 0.006 0.000 0.216 226 G HA3 -0.229 3.735 3.960 0.006 0.000 0.216 226 G C 1.476 176.377 174.900 0.001 0.000 1.162 226 G CA 0.264 45.366 45.100 0.003 0.000 0.777 226 G HN 0.071 nan 8.290 nan 0.000 0.539 227 E N 0.631 120.830 120.200 -0.002 0.000 2.208 227 E HA -0.043 4.311 4.350 0.006 0.000 0.193 227 E C 2.288 178.891 176.600 0.006 0.000 0.988 227 E CA 0.580 56.977 56.400 -0.005 0.000 0.828 227 E CB -0.023 29.667 29.700 -0.017 0.000 0.763 227 E HN 0.604 nan 8.360 nan 0.000 0.478 228 E N 0.924 121.135 120.200 0.019 0.000 2.008 228 E HA -0.104 4.250 4.350 0.006 0.000 0.191 228 E C 2.109 178.718 176.600 0.014 0.000 0.986 228 E CA 0.890 57.305 56.400 0.025 0.000 0.807 228 E CB -0.153 29.573 29.700 0.044 0.000 0.766 228 E HN 0.162 nan 8.360 nan 0.000 0.450 229 A N 1.556 124.384 122.820 0.013 0.000 1.882 229 A HA -0.227 4.096 4.320 0.006 0.000 0.220 229 A C 1.541 179.127 177.584 0.004 0.000 1.253 229 A CA 1.957 53.999 52.037 0.008 0.000 0.664 229 A CB -1.105 17.899 19.000 0.007 0.000 0.838 229 A HN 0.377 nan 8.150 nan 0.000 0.460 230 S N -0.888 114.813 115.700 0.002 0.000 2.505 230 S HA 0.573 5.047 4.470 0.006 0.000 0.276 230 S C 0.128 174.727 174.600 -0.001 0.000 1.274 230 S CA 0.091 58.291 58.200 -0.001 0.000 1.053 230 S CB 0.148 63.347 63.200 -0.002 0.000 0.919 230 S HN 0.714 nan 8.310 nan 0.000 0.490 231 M N 0.000 119.599 119.600 -0.002 0.000 2.572 231 M HA 0.000 4.484 4.480 0.006 0.000 0.227 231 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 231 M CB 0.000 32.597 32.600 -0.004 0.000 1.302 231 M HN 0.000 nan 8.290 nan 0.000 0.411