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 2zhz_1_B DATA FIRST_RESID 5 DATA SEQUENCE LSKIATRTGD DGTTGLGDGS RVRKDDARIA AIGDVDELNS QIGVLLAEPL DATA SEQUENCE PDDVRAALSA IQHDLFDLGG ELCIPGHAAI TDAHLARLDG WLAHYNGQLP DATA SEQUENCE PLEEFILPGG ARGAALAHVC RTVCRRAERS IVALGASEPL NAAPRRYVNR DATA SEQUENCE LSDLLFVLAR VLNRAAGGAD VLWD 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.870 176.870 -0.000 0.000 1.165 5 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 5 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 6 S N 0.528 116.228 115.700 -0.000 0.000 2.549 6 S HA 0.295 4.764 4.470 -0.002 0.000 0.279 6 S C 0.790 175.390 174.600 -0.000 0.000 1.321 6 S CA -0.080 58.119 58.200 -0.000 0.000 1.054 6 S CB 1.049 64.249 63.200 -0.000 0.000 0.899 6 S HN 0.241 nan 8.310 nan 0.000 0.497 7 K N 3.280 123.680 120.400 0.000 0.000 2.387 7 K HA 0.372 4.690 4.320 -0.002 0.000 0.198 7 K C -0.281 176.319 176.600 0.000 0.000 1.022 7 K CA 0.093 56.380 56.287 0.000 0.000 1.128 7 K CB 0.145 32.645 32.500 0.000 0.000 0.853 7 K HN 0.506 nan 8.250 nan 0.000 0.523 8 I N 1.518 122.088 120.570 0.000 0.000 2.331 8 I HA 0.250 4.419 4.170 -0.002 0.000 0.292 8 I C 0.455 176.572 176.117 0.000 0.000 0.998 8 I CA -1.295 60.005 61.300 0.000 0.000 1.267 8 I CB 0.693 38.693 38.000 0.000 0.000 1.386 8 I HN -0.006 nan 8.210 nan 0.000 0.476 9 A N 5.642 128.462 122.820 0.000 0.000 2.520 9 A HA 0.230 4.549 4.320 -0.002 0.000 0.235 9 A C 0.586 178.170 177.584 0.000 0.000 1.065 9 A CA 0.174 52.211 52.037 0.000 0.000 0.764 9 A CB -0.248 18.753 19.000 0.000 0.000 1.002 9 A HN 0.748 nan 8.150 nan 0.000 0.502 10 T N 2.869 117.423 114.554 0.000 0.000 2.897 10 T HA 0.407 4.755 4.350 -0.002 0.000 0.294 10 T C 0.443 175.143 174.700 0.000 0.000 1.004 10 T CA 0.097 62.197 62.100 -0.000 0.000 1.106 10 T CB 0.365 69.233 68.868 -0.000 0.000 0.949 10 T HN 0.646 nan 8.240 nan 0.000 0.520 11 R N 1.179 121.679 120.500 0.000 0.000 2.668 11 R HA 0.384 4.723 4.340 -0.002 0.000 0.279 11 R C 1.609 177.909 176.300 -0.000 0.000 0.976 11 R CA -0.721 55.380 56.100 0.000 0.000 0.978 11 R CB 0.724 31.024 30.300 0.001 0.000 1.133 11 R HN 0.626 nan 8.270 nan 0.000 0.484 12 T N 0.855 115.409 114.554 -0.000 0.000 2.602 12 T HA -0.258 4.091 4.350 -0.002 0.000 0.264 12 T C 1.423 176.122 174.700 -0.001 0.000 1.085 12 T CA 2.209 64.309 62.100 -0.001 0.000 1.164 12 T CB -0.261 68.607 68.868 -0.001 0.000 0.860 12 T HN 0.876 nan 8.240 nan 0.000 0.442 13 G N 0.201 109.000 108.800 -0.001 0.000 3.605 13 G HA2 0.191 4.150 3.960 -0.002 0.000 0.277 13 G HA3 0.191 4.150 3.960 -0.002 0.000 0.277 13 G C 0.497 175.396 174.900 -0.001 0.000 1.093 13 G CA -0.165 44.934 45.100 -0.002 0.000 0.821 13 G HN 0.273 nan 8.290 nan 0.000 0.532 14 D N 1.423 121.823 120.400 -0.001 0.000 2.263 14 D HA -0.100 4.539 4.640 -0.002 0.000 0.208 14 D C 1.871 178.170 176.300 -0.001 0.000 0.971 14 D CA 1.036 55.035 54.000 -0.001 0.000 0.867 14 D CB 0.190 40.990 40.800 -0.001 0.000 0.929 14 D HN 0.523 nan 8.370 nan 0.000 0.492 15 D N -1.149 119.250 120.400 -0.002 0.000 2.328 15 D HA 0.089 4.727 4.640 -0.002 0.000 0.226 15 D C 1.448 177.747 176.300 -0.002 0.000 1.066 15 D CA 0.704 54.703 54.000 -0.002 0.000 0.861 15 D CB -0.177 40.622 40.800 -0.002 0.000 0.912 15 D HN 0.170 nan 8.370 nan 0.000 0.521 16 G N -0.067 108.732 108.800 -0.002 0.000 2.157 16 G HA2 -0.241 3.717 3.960 -0.002 0.000 0.248 16 G HA3 -0.241 3.717 3.960 -0.002 0.000 0.248 16 G C 0.406 175.304 174.900 -0.003 0.000 0.979 16 G CA 0.575 45.673 45.100 -0.003 0.000 0.650 16 G HN 0.848 nan 8.290 nan 0.000 0.529 17 T N -2.696 111.856 114.554 -0.004 0.000 2.942 17 T HA 0.816 5.164 4.350 -0.002 0.000 0.289 17 T C -0.332 174.365 174.700 -0.005 0.000 1.044 17 T CA 0.349 62.447 62.100 -0.005 0.000 1.023 17 T CB 3.083 71.948 68.868 -0.005 0.000 1.123 17 T HN 0.972 nan 8.240 nan 0.000 0.512 18 T N -0.935 113.615 114.554 -0.007 0.000 2.816 18 T HA 0.708 5.056 4.350 -0.002 0.000 0.299 18 T C -0.423 174.271 174.700 -0.010 0.000 1.230 18 T CA -0.268 61.827 62.100 -0.008 0.000 1.007 18 T CB 1.291 70.154 68.868 -0.009 0.000 1.289 18 T HN 1.179 nan 8.240 nan 0.000 0.508 19 G N 1.398 110.191 108.800 -0.012 0.000 2.417 19 G HA2 0.690 4.648 3.960 -0.002 0.000 0.334 19 G HA3 0.690 4.648 3.960 -0.002 0.000 0.334 19 G C -1.030 173.859 174.900 -0.019 0.000 1.150 19 G CA -0.649 44.443 45.100 -0.014 0.000 0.923 19 G HN 0.756 nan 8.290 nan 0.000 0.485 20 L N 0.496 121.706 121.223 -0.021 0.000 2.400 20 L HA 0.430 4.768 4.340 -0.002 0.000 0.264 20 L C 1.962 178.812 176.870 -0.033 0.000 1.061 20 L CA -0.676 54.147 54.840 -0.028 0.000 0.799 20 L CB 1.667 43.712 42.059 -0.024 0.000 1.240 20 L HN 0.696 nan 8.230 nan 0.000 0.461 21 G N -0.266 108.507 108.800 -0.045 0.000 2.501 21 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.220 21 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.220 21 G C 0.777 175.648 174.900 -0.049 0.000 1.114 21 G CA 0.769 45.835 45.100 -0.056 0.000 0.757 21 G HN 0.849 nan 8.290 nan 0.000 0.559 22 D N -1.193 119.185 120.400 -0.036 0.000 2.339 22 D HA 0.228 4.866 4.640 -0.002 0.000 0.217 22 D C 1.651 177.938 176.300 -0.021 0.000 1.050 22 D CA 0.585 54.568 54.000 -0.028 0.000 0.856 22 D CB -0.320 40.468 40.800 -0.020 0.000 0.922 22 D HN 0.436 nan 8.370 nan 0.000 0.518 23 G N 0.359 109.147 108.800 -0.020 0.000 2.213 23 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.236 23 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.236 23 G C 0.429 175.322 174.900 -0.013 0.000 0.991 23 G CA 0.283 45.374 45.100 -0.015 0.000 0.629 23 G HN 0.782 nan 8.290 nan 0.000 0.517 24 S N 0.110 115.802 115.700 -0.013 0.000 2.603 24 S HA 0.758 5.227 4.470 -0.002 0.000 0.268 24 S C 0.231 174.825 174.600 -0.011 0.000 1.317 24 S CA -0.312 57.882 58.200 -0.010 0.000 1.012 24 S CB 1.741 64.936 63.200 -0.010 0.000 0.926 24 S HN 0.562 nan 8.310 nan 0.000 0.539 25 R N 0.158 120.653 120.500 -0.009 0.000 2.637 25 R HA 0.748 5.087 4.340 -0.002 0.000 0.291 25 R C -0.836 175.460 176.300 -0.008 0.000 0.963 25 R CA -0.858 55.237 56.100 -0.009 0.000 0.901 25 R CB 1.942 32.238 30.300 -0.007 0.000 1.160 25 R HN 0.726 nan 8.270 nan 0.000 0.457 26 V N -1.059 118.850 119.914 -0.008 0.000 3.114 26 V HA 0.571 4.690 4.120 -0.002 0.000 0.308 26 V C -0.430 175.659 176.094 -0.007 0.000 1.168 26 V CA -1.329 60.966 62.300 -0.008 0.000 1.015 26 V CB 2.018 33.836 31.823 -0.009 0.000 1.050 26 V HN 0.723 nan 8.190 nan 0.000 0.433 27 R N 0.808 121.304 120.500 -0.006 0.000 2.594 27 R HA 0.363 4.701 4.340 -0.002 0.000 0.272 27 R C 1.034 177.331 176.300 -0.006 0.000 1.074 27 R CA -0.174 55.923 56.100 -0.005 0.000 1.105 27 R CB 0.802 31.099 30.300 -0.004 0.000 1.008 27 R HN 0.857 nan 8.270 nan 0.000 0.472 28 K N 1.088 121.484 120.400 -0.005 0.000 2.442 28 K HA -0.120 4.198 4.320 -0.002 0.000 0.198 28 K C 0.526 177.122 176.600 -0.006 0.000 1.044 28 K CA 1.379 57.663 56.287 -0.006 0.000 0.948 28 K CB 0.123 32.620 32.500 -0.005 0.000 0.762 28 K HN 0.600 nan 8.250 nan 0.000 0.472 29 D N -0.146 120.251 120.400 -0.005 0.000 2.340 29 D HA -0.052 4.587 4.640 -0.002 0.000 0.217 29 D C -0.070 176.227 176.300 -0.005 0.000 1.081 29 D CA -0.200 53.797 54.000 -0.004 0.000 0.842 29 D CB -0.356 40.442 40.800 -0.003 0.000 0.934 29 D HN 0.019 nan 8.370 nan 0.000 0.511 30 D N -0.168 120.229 120.400 -0.006 0.000 2.423 30 D HA 0.248 4.887 4.640 -0.002 0.000 0.238 30 D C 1.503 177.799 176.300 -0.007 0.000 1.142 30 D CA 0.382 54.379 54.000 -0.006 0.000 0.884 30 D CB 1.241 42.037 40.800 -0.007 0.000 1.199 30 D HN 0.038 nan 8.370 nan 0.000 0.438 31 A N 4.042 126.858 122.820 -0.006 0.000 1.978 31 A HA -0.231 4.087 4.320 -0.002 0.000 0.220 31 A C 2.107 179.686 177.584 -0.008 0.000 1.170 31 A CA 1.665 53.698 52.037 -0.006 0.000 0.636 31 A CB -0.453 18.544 19.000 -0.005 0.000 0.810 31 A HN 0.745 nan 8.150 nan 0.000 0.448 32 R N -0.556 119.938 120.500 -0.009 0.000 2.092 32 R HA -0.065 4.274 4.340 -0.002 0.000 0.231 32 R C 1.724 178.015 176.300 -0.016 0.000 1.119 32 R CA 1.452 57.544 56.100 -0.013 0.000 0.970 32 R CB -0.216 30.076 30.300 -0.013 0.000 0.864 32 R HN 0.438 nan 8.270 nan 0.000 0.440 33 I N 0.997 121.558 120.570 -0.014 0.000 2.394 33 I HA -0.128 4.041 4.170 -0.002 0.000 0.251 33 I C 2.430 178.539 176.117 -0.013 0.000 1.136 33 I CA 1.224 62.515 61.300 -0.015 0.000 1.425 33 I CB -1.442 36.550 38.000 -0.013 0.000 1.079 33 I HN 0.243 nan 8.210 nan 0.000 0.425 34 A N 1.010 123.824 122.820 -0.010 0.000 1.898 34 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 34 A C 2.589 180.169 177.584 -0.007 0.000 1.181 34 A CA 1.856 53.889 52.037 -0.007 0.000 0.620 34 A CB -0.708 18.289 19.000 -0.005 0.000 0.819 34 A HN 0.387 nan 8.150 nan 0.000 0.442 35 A N -0.034 122.781 122.820 -0.009 0.000 1.898 35 A HA -0.068 4.251 4.320 -0.002 0.000 0.216 35 A C 2.107 179.682 177.584 -0.015 0.000 1.181 35 A CA 1.480 53.511 52.037 -0.009 0.000 0.620 35 A CB -0.630 18.364 19.000 -0.010 0.000 0.819 35 A HN 0.482 nan 8.150 nan 0.000 0.442 36 I N -0.180 120.375 120.570 -0.024 0.000 2.208 36 I HA -0.242 3.927 4.170 -0.002 0.000 0.245 36 I C 2.666 178.768 176.117 -0.026 0.000 1.097 36 I CA 1.177 62.456 61.300 -0.036 0.000 1.363 36 I CB -0.548 37.426 38.000 -0.043 0.000 1.051 36 I HN 0.411 nan 8.210 nan 0.000 0.413 37 G N 0.267 109.058 108.800 -0.016 0.000 2.421 37 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.216 37 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.216 37 G C 1.287 176.186 174.900 -0.002 0.000 1.171 37 G CA 0.885 45.980 45.100 -0.008 0.000 0.775 37 G HN 0.276 nan 8.290 nan 0.000 0.543 38 D N 0.147 120.547 120.400 -0.000 0.000 2.178 38 D HA -0.073 4.566 4.640 -0.002 0.000 0.201 38 D C 2.740 179.047 176.300 0.011 0.000 0.980 38 D CA 0.520 54.524 54.000 0.007 0.000 0.842 38 D CB -0.241 40.564 40.800 0.009 0.000 0.948 38 D HN 0.202 nan 8.370 nan 0.000 0.472 39 V N 1.070 120.987 119.914 0.005 0.000 2.358 39 V HA -0.208 3.911 4.120 -0.002 0.000 0.246 39 V C 2.141 178.242 176.094 0.012 0.000 1.047 39 V CA 1.653 63.958 62.300 0.008 0.000 1.035 39 V CB -0.338 31.477 31.823 -0.014 0.000 0.658 39 V HN 0.087 nan 8.190 nan 0.000 0.452 40 D N 0.038 120.440 120.400 0.004 0.000 2.117 40 D HA -0.207 4.431 4.640 -0.002 0.000 0.197 40 D C 2.223 178.534 176.300 0.019 0.000 0.987 40 D CA 1.592 55.601 54.000 0.014 0.000 0.829 40 D CB -0.047 40.758 40.800 0.007 0.000 0.961 40 D HN 0.545 nan 8.370 nan 0.000 0.460 41 E N -0.768 119.441 120.200 0.015 0.000 2.077 41 E HA -0.175 4.174 4.350 -0.002 0.000 0.193 41 E C 2.179 178.790 176.600 0.019 0.000 0.989 41 E CA 0.619 57.028 56.400 0.015 0.000 0.800 41 E CB -0.155 29.553 29.700 0.013 0.000 0.746 41 E HN 0.244 nan 8.360 nan 0.000 0.452 42 L N 1.633 122.870 121.223 0.024 0.000 2.017 42 L HA -0.171 4.167 4.340 -0.002 0.000 0.208 42 L C 1.959 178.847 176.870 0.030 0.000 1.073 42 L CA 1.940 56.798 54.840 0.030 0.000 0.745 42 L CB -0.837 41.247 42.059 0.043 0.000 0.894 42 L HN 0.102 nan 8.230 nan 0.000 0.432 43 N N -0.735 117.985 118.700 0.033 0.000 2.149 43 N HA -0.162 4.576 4.740 -0.002 0.000 0.188 43 N C 1.836 177.356 175.510 0.016 0.000 1.019 43 N CA 1.531 54.600 53.050 0.032 0.000 0.857 43 N CB -0.176 38.338 38.487 0.045 0.000 0.997 43 N HN 0.466 nan 8.380 nan 0.000 0.426 44 S N 0.063 115.772 115.700 0.016 0.000 2.383 44 S HA -0.040 4.429 4.470 -0.002 0.000 0.227 44 S C 1.710 176.312 174.600 0.003 0.000 1.026 44 S CA 0.640 58.845 58.200 0.009 0.000 0.981 44 S CB -0.132 63.075 63.200 0.011 0.000 0.818 44 S HN 0.385 nan 8.310 nan 0.000 0.472 45 Q N 0.770 120.574 119.800 0.007 0.000 2.119 45 Q HA 0.059 4.397 4.340 -0.002 0.000 0.201 45 Q C 2.122 178.119 176.000 -0.005 0.000 0.972 45 Q CA 0.920 56.725 55.803 0.003 0.000 0.847 45 Q CB -0.421 28.322 28.738 0.009 0.000 0.903 45 Q HN 0.554 nan 8.270 nan 0.000 0.433 46 I N -0.003 120.564 120.570 -0.005 0.000 2.394 46 I HA -0.180 3.989 4.170 -0.002 0.000 0.251 46 I C 2.187 178.289 176.117 -0.025 0.000 1.136 46 I CA 1.035 62.324 61.300 -0.017 0.000 1.425 46 I CB -0.461 37.533 38.000 -0.010 0.000 1.079 46 I HN 0.195 nan 8.210 nan 0.000 0.425 47 G N 0.349 109.137 108.800 -0.019 0.000 2.422 47 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.218 47 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.218 47 G C 1.686 176.574 174.900 -0.020 0.000 1.140 47 G CA 0.632 45.718 45.100 -0.023 0.000 0.775 47 G HN 0.244 nan 8.290 nan 0.000 0.545 48 V N 0.616 120.521 119.914 -0.015 0.000 2.358 48 V HA -0.087 4.032 4.120 -0.002 0.000 0.246 48 V C 2.621 178.703 176.094 -0.019 0.000 1.047 48 V CA 1.470 63.761 62.300 -0.014 0.000 1.035 48 V CB -0.289 31.529 31.823 -0.008 0.000 0.658 48 V HN 0.366 nan 8.190 nan 0.000 0.452 49 L N -0.188 121.020 121.223 -0.025 0.000 2.083 49 L HA -0.084 4.255 4.340 -0.002 0.000 0.209 49 L C 2.085 178.931 176.870 -0.040 0.000 1.083 49 L CA 1.813 56.632 54.840 -0.035 0.000 0.752 49 L CB -0.598 41.432 42.059 -0.048 0.000 0.899 49 L HN 0.211 nan 8.230 nan 0.000 0.433 50 L N -0.374 120.826 121.223 -0.039 0.000 2.362 50 L HA -0.087 4.252 4.340 -0.002 0.000 0.219 50 L C 2.292 179.145 176.870 -0.029 0.000 1.134 50 L CA 0.761 55.578 54.840 -0.038 0.000 0.807 50 L CB -0.630 41.407 42.059 -0.038 0.000 0.927 50 L HN 0.394 nan 8.230 nan 0.000 0.447 51 A N -1.358 121.448 122.820 -0.024 0.000 2.238 51 A HA 0.040 4.358 4.320 -0.002 0.000 0.208 51 A C 0.889 178.463 177.584 -0.018 0.000 1.177 51 A CA 0.335 52.361 52.037 -0.018 0.000 0.804 51 A CB -0.107 18.884 19.000 -0.015 0.000 0.823 51 A HN 0.176 nan 8.150 nan 0.000 0.482 52 E N 0.269 120.456 120.200 -0.022 0.000 2.250 52 E HA 0.383 4.732 4.350 -0.002 0.000 0.265 52 E C -2.705 173.881 176.600 -0.023 0.000 1.033 52 E CA -2.271 54.117 56.400 -0.021 0.000 0.888 52 E CB 0.087 29.772 29.700 -0.025 0.000 1.151 52 E HN 0.013 nan 8.360 nan 0.000 0.412 53 P HA 0.233 nan 4.420 nan 0.000 0.271 53 P C -0.743 176.542 177.300 -0.025 0.000 1.216 53 P CA 0.278 63.367 63.100 -0.018 0.000 0.771 53 P CB 0.472 32.164 31.700 -0.014 0.000 0.864 54 L N 4.078 125.286 121.223 -0.025 0.000 2.469 54 L HA 0.522 4.861 4.340 -0.002 0.000 0.256 54 L C -2.464 174.393 176.870 -0.022 0.000 1.006 54 L CA -2.394 52.425 54.840 -0.034 0.000 0.832 54 L CB 2.053 44.082 42.059 -0.050 0.000 1.421 54 L HN 0.154 nan 8.230 nan 0.000 0.410 55 P HA 0.123 nan 4.420 nan 0.000 0.271 55 P C -0.318 176.986 177.300 0.006 0.000 1.216 55 P CA -0.291 62.811 63.100 0.004 0.000 0.776 55 P CB 0.646 32.358 31.700 0.020 0.000 0.881 56 D N 1.228 121.639 120.400 0.018 0.000 2.133 56 D HA -0.197 4.442 4.640 -0.002 0.000 0.195 56 D C 1.403 177.718 176.300 0.025 0.000 0.997 56 D CA 1.507 55.518 54.000 0.019 0.000 0.840 56 D CB -0.331 40.484 40.800 0.025 0.000 0.947 56 D HN 0.569 nan 8.370 nan 0.000 0.452 57 D N 0.586 121.019 120.400 0.054 0.000 2.117 57 D HA -0.112 4.527 4.640 -0.002 0.000 0.198 57 D C 2.146 178.469 176.300 0.039 0.000 0.982 57 D CA 0.608 54.656 54.000 0.080 0.000 0.828 57 D CB -0.663 40.233 40.800 0.160 0.000 0.967 57 D HN 0.138 nan 8.370 nan 0.000 0.464 58 V N 1.087 121.003 119.914 0.004 0.000 2.343 58 V HA -0.215 3.904 4.120 -0.002 0.000 0.247 58 V C 2.888 178.890 176.094 -0.153 0.000 1.051 58 V CA 1.855 64.070 62.300 -0.142 0.000 1.036 58 V CB -0.786 30.933 31.823 -0.173 0.000 0.654 58 V HN 0.204 nan 8.190 nan 0.000 0.451 59 R N 0.371 120.820 120.500 -0.085 0.000 2.081 59 R HA -0.148 4.190 4.340 -0.002 0.000 0.235 59 R C 2.288 178.551 176.300 -0.062 0.000 1.131 59 R CA 1.646 57.705 56.100 -0.068 0.000 0.960 59 R CB -0.441 29.839 30.300 -0.033 0.000 0.856 59 R HN 0.466 nan 8.270 nan 0.000 0.436 60 A N 0.767 123.562 122.820 -0.042 0.000 1.902 60 A HA -0.107 4.212 4.320 -0.002 0.000 0.217 60 A C 2.367 179.916 177.584 -0.057 0.000 1.181 60 A CA 1.725 53.759 52.037 -0.005 0.000 0.623 60 A CB -0.808 18.214 19.000 0.037 0.000 0.818 60 A HN 0.556 nan 8.150 nan 0.000 0.443 61 A N -0.315 122.352 122.820 -0.255 0.000 1.873 61 A HA -0.001 4.317 4.320 -0.002 0.000 0.215 61 A C 2.169 179.462 177.584 -0.485 0.000 1.186 61 A CA 1.440 53.043 52.037 -0.723 0.000 0.616 61 A CB -0.626 17.603 19.000 -1.284 0.000 0.823 61 A HN 0.459 nan 8.150 nan 0.000 0.442 62 L N -0.327 120.712 121.223 -0.307 0.000 2.083 62 L HA -0.158 4.181 4.340 -0.002 0.000 0.209 62 L C 2.814 179.648 176.870 -0.059 0.000 1.083 62 L CA 1.394 56.133 54.840 -0.169 0.000 0.752 62 L CB -0.410 41.562 42.059 -0.145 0.000 0.899 62 L HN 0.326 nan 8.230 nan 0.000 0.433 63 S N -0.067 115.617 115.700 -0.026 0.000 2.368 63 S HA -0.131 4.338 4.470 -0.002 0.000 0.224 63 S C 2.200 176.904 174.600 0.172 0.000 1.029 63 S CA 1.149 59.373 58.200 0.040 0.000 0.988 63 S CB -0.233 63.009 63.200 0.070 0.000 0.838 63 S HN 0.497 nan 8.310 nan 0.000 0.462 64 A N 1.332 124.290 122.820 0.231 0.000 1.930 64 A HA 0.003 4.322 4.320 -0.002 0.000 0.217 64 A C 2.028 179.845 177.584 0.389 0.000 1.175 64 A CA 1.019 53.295 52.037 0.398 0.000 0.627 64 A CB -0.660 18.609 19.000 0.447 0.000 0.815 64 A HN 0.486 nan 8.150 nan 0.000 0.443 65 I N -0.468 120.263 120.570 0.268 0.000 2.286 65 I HA -0.298 3.870 4.170 -0.002 0.000 0.248 65 I C 2.712 178.949 176.117 0.200 0.000 1.115 65 I CA 1.231 62.706 61.300 0.293 0.000 1.392 65 I CB -0.353 37.761 38.000 0.189 0.000 1.065 65 I HN 0.442 nan 8.210 nan 0.000 0.418 66 Q N -0.127 119.720 119.800 0.079 0.000 2.124 66 Q HA -0.219 4.120 4.340 -0.002 0.000 0.202 66 Q C 2.176 178.168 176.000 -0.013 0.000 0.977 66 Q CA 1.258 57.050 55.803 -0.019 0.000 0.850 66 Q CB -0.186 28.459 28.738 -0.155 0.000 0.901 66 Q HN 0.646 nan 8.270 nan 0.000 0.429 67 H N 0.516 119.664 119.070 0.130 0.000 2.357 67 H HA -0.082 4.473 4.556 -0.002 0.000 0.301 67 H C 1.523 176.952 175.328 0.168 0.000 1.082 67 H CA 1.249 57.382 56.048 0.142 0.000 1.342 67 H CB 0.082 29.916 29.762 0.121 0.000 1.389 67 H HN 0.282 nan 8.280 nan 0.000 0.511 68 D N 0.802 121.360 120.400 0.263 0.000 2.117 68 D HA -0.105 4.533 4.640 -0.002 0.000 0.197 68 D C 2.487 178.719 176.300 -0.114 0.000 0.987 68 D CA 0.498 54.533 54.000 0.058 0.000 0.829 68 D CB -0.372 40.502 40.800 0.123 0.000 0.961 68 D HN 0.271 nan 8.370 nan 0.000 0.460 69 L N -0.373 120.851 121.223 0.001 0.000 2.141 69 L HA -0.122 4.217 4.340 -0.002 0.000 0.209 69 L C 2.300 179.174 176.870 0.007 0.000 1.094 69 L CA 0.508 55.335 54.840 -0.022 0.000 0.763 69 L CB -0.329 41.766 42.059 0.060 0.000 0.908 69 L HN -0.023 nan 8.230 nan 0.000 0.437 70 F N 1.322 121.246 119.950 -0.042 0.000 2.146 70 F HA -0.224 4.302 4.527 -0.002 0.000 0.298 70 F C 2.141 177.925 175.800 -0.027 0.000 1.096 70 F CA 1.669 59.655 58.000 -0.023 0.000 1.275 70 F CB -0.106 38.897 39.000 0.004 0.000 1.008 70 F HN 0.099 nan 8.300 nan 0.000 0.480 71 D N 0.392 120.817 120.400 0.042 0.000 2.149 71 D HA -0.154 4.484 4.640 -0.002 0.000 0.201 71 D C 2.399 178.596 176.300 -0.172 0.000 0.972 71 D CA 1.062 55.029 54.000 -0.055 0.000 0.835 71 D CB -0.571 40.224 40.800 -0.008 0.000 0.966 71 D HN 0.374 nan 8.370 nan 0.000 0.476 72 L N 0.575 121.659 121.223 -0.232 0.000 2.046 72 L HA -0.070 4.269 4.340 -0.002 0.000 0.208 72 L C 2.217 178.984 176.870 -0.171 0.000 1.077 72 L CA 1.705 56.401 54.840 -0.240 0.000 0.747 72 L CB -0.430 41.452 42.059 -0.296 0.000 0.896 72 L HN 0.061 nan 8.230 nan 0.000 0.432 73 G N -1.147 107.539 108.800 -0.190 0.000 2.408 73 G HA2 -0.208 3.750 3.960 -0.002 0.000 0.217 73 G HA3 -0.208 3.750 3.960 -0.002 0.000 0.217 73 G C 1.460 176.234 174.900 -0.210 0.000 1.150 73 G CA 0.555 45.543 45.100 -0.188 0.000 0.776 73 G HN 0.550 nan 8.290 nan 0.000 0.542 74 G N 0.365 108.993 108.800 -0.287 0.000 2.422 74 G HA2 -0.170 3.788 3.960 -0.002 0.000 0.218 74 G HA3 -0.170 3.788 3.960 -0.002 0.000 0.218 74 G C 1.517 176.394 174.900 -0.039 0.000 1.146 74 G CA 1.131 46.097 45.100 -0.223 0.000 0.769 74 G HN 0.541 nan 8.290 nan 0.000 0.547 75 E N -0.036 120.172 120.200 0.013 0.000 2.106 75 E HA -0.014 4.335 4.350 -0.002 0.000 0.192 75 E C 2.395 179.006 176.600 0.019 0.000 0.984 75 E CA 0.368 56.822 56.400 0.089 0.000 0.806 75 E CB -0.167 29.503 29.700 -0.050 0.000 0.750 75 E HN 0.459 nan 8.360 nan 0.000 0.458 76 L N 0.072 121.273 121.223 -0.037 0.000 2.291 76 L HA -0.128 4.211 4.340 -0.002 0.000 0.214 76 L C 2.402 179.251 176.870 -0.035 0.000 1.120 76 L CA 0.333 55.151 54.840 -0.036 0.000 0.799 76 L CB -0.112 41.917 42.059 -0.050 0.000 0.925 76 L HN 0.362 nan 8.230 nan 0.000 0.446 77 C N -0.368 118.901 119.300 -0.052 0.000 2.464 77 C HA 0.097 4.556 4.460 -0.002 0.000 0.278 77 C C 1.430 176.393 174.990 -0.045 0.000 1.375 77 C CA -0.106 58.877 59.018 -0.059 0.000 1.761 77 C CB -0.374 27.310 27.740 -0.093 0.000 1.944 77 C HN 0.244 nan 8.230 nan 0.000 0.509 78 I N 1.674 122.226 120.570 -0.029 0.000 2.460 78 I HA 0.239 4.408 4.170 -0.002 0.000 0.277 78 I C -2.504 173.633 176.117 0.034 0.000 1.057 78 I CA -1.753 59.533 61.300 -0.024 0.000 1.179 78 I CB 0.635 38.571 38.000 -0.106 0.000 1.329 78 I HN -0.144 nan 8.210 nan 0.000 0.478 79 P HA -0.018 nan 4.420 nan 0.000 0.261 79 P C 1.024 178.347 177.300 0.038 0.000 1.173 79 P CA 0.977 64.089 63.100 0.020 0.000 0.760 79 P CB 0.560 32.264 31.700 0.006 0.000 0.783 80 G N 1.098 109.921 108.800 0.039 0.000 2.199 80 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.254 80 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.254 80 G C 0.227 175.171 174.900 0.074 0.000 0.982 80 G CA 0.208 45.332 45.100 0.041 0.000 0.632 80 G HN 0.762 nan 8.290 nan 0.000 0.529 81 H N 0.808 119.866 119.070 -0.021 0.000 2.551 81 H HA 0.707 5.261 4.556 -0.003 0.000 0.358 81 H C 0.174 175.487 175.328 -0.024 0.000 1.151 81 H CA 0.374 56.409 56.048 -0.022 0.000 1.374 81 H CB 1.341 31.084 29.762 -0.031 0.000 1.473 81 H HN 0.755 nan 8.280 nan 0.000 0.574 82 A N 3.409 125.832 122.820 -0.663 0.000 2.605 82 A HA 0.613 4.931 4.320 -0.002 0.000 0.293 82 A C 0.202 177.447 177.584 -0.565 0.000 1.216 82 A CA 0.013 51.777 52.037 -0.454 0.000 0.742 82 A CB 0.317 19.195 19.000 -0.203 0.000 1.170 82 A HN 0.873 nan 8.150 nan 0.000 0.443 83 A N 2.598 125.130 122.820 -0.479 0.000 2.085 83 A HA 0.427 4.745 4.320 -0.002 0.000 0.208 83 A C 0.581 178.061 177.584 -0.172 0.000 1.191 83 A CA 0.579 52.461 52.037 -0.258 0.000 0.799 83 A CB 0.117 19.035 19.000 -0.137 0.000 0.877 83 A HN 0.587 nan 8.150 nan 0.000 0.473 84 I N 2.474 122.906 120.570 -0.231 0.000 2.325 84 I HA 0.287 4.456 4.170 -0.002 0.000 0.291 84 I C 0.687 176.833 176.117 0.048 0.000 1.019 84 I CA 0.334 61.486 61.300 -0.247 0.000 1.302 84 I CB 0.212 38.044 38.000 -0.281 0.000 1.401 84 I HN 0.344 nan 8.210 nan 0.000 0.485 85 T N 0.868 115.629 114.554 0.344 0.000 2.807 85 T HA 0.375 4.724 4.350 -0.002 0.000 0.277 85 T C 0.734 175.532 174.700 0.163 0.000 1.006 85 T CA -0.614 61.599 62.100 0.189 0.000 1.006 85 T CB 1.744 70.688 68.868 0.127 0.000 1.274 85 T HN 0.392 nan 8.240 nan 0.000 0.569 86 D N 0.297 120.741 120.400 0.073 0.000 2.178 86 D HA -0.015 4.623 4.640 -0.002 0.000 0.201 86 D C 2.278 178.591 176.300 0.021 0.000 0.980 86 D CA 1.546 55.574 54.000 0.047 0.000 0.842 86 D CB -0.686 40.123 40.800 0.015 0.000 0.948 86 D HN 0.702 nan 8.370 nan 0.000 0.472 87 A N 0.819 123.622 122.820 -0.028 0.000 1.908 87 A HA -0.231 4.087 4.320 -0.002 0.000 0.218 87 A C 1.934 179.439 177.584 -0.132 0.000 1.181 87 A CA 1.376 53.339 52.037 -0.124 0.000 0.627 87 A CB -0.745 18.128 19.000 -0.211 0.000 0.818 87 A HN 0.336 nan 8.150 nan 0.000 0.445 88 H N -0.222 118.875 119.070 0.044 0.000 2.321 88 H HA -0.039 4.516 4.556 -0.002 0.000 0.300 88 H C 2.113 177.529 175.328 0.147 0.000 1.087 88 H CA 1.716 57.847 56.048 0.138 0.000 1.319 88 H CB -0.351 29.532 29.762 0.202 0.000 1.379 88 H HN 0.433 nan 8.280 nan 0.000 0.501 89 L N 0.180 121.546 121.223 0.239 0.000 2.093 89 L HA -0.095 4.243 4.340 -0.002 0.000 0.208 89 L C 2.921 179.797 176.870 0.011 0.000 1.085 89 L CA 0.814 55.723 54.840 0.115 0.000 0.755 89 L CB -0.509 41.609 42.059 0.099 0.000 0.904 89 L HN 0.192 nan 8.230 nan 0.000 0.435 90 A N 0.267 123.075 122.820 -0.021 0.000 1.898 90 A HA -0.231 4.088 4.320 -0.002 0.000 0.216 90 A C 2.447 179.936 177.584 -0.159 0.000 1.181 90 A CA 1.660 53.652 52.037 -0.075 0.000 0.620 90 A CB -0.526 18.425 19.000 -0.082 0.000 0.819 90 A HN 0.330 nan 8.150 nan 0.000 0.442 91 R N -0.349 120.012 120.500 -0.231 0.000 2.096 91 R HA -0.027 4.312 4.340 -0.002 0.000 0.235 91 R C 1.927 177.899 176.300 -0.548 0.000 1.127 91 R CA 1.339 57.130 56.100 -0.516 0.000 0.968 91 R CB -0.355 29.578 30.300 -0.611 0.000 0.861 91 R HN 0.530 nan 8.270 nan 0.000 0.440 92 L N 0.411 121.524 121.223 -0.184 0.000 2.027 92 L HA -0.182 4.156 4.340 -0.002 0.000 0.206 92 L C 1.836 178.747 176.870 0.067 0.000 1.074 92 L CA 1.241 56.116 54.840 0.059 0.000 0.745 92 L CB -0.517 41.520 42.059 -0.036 0.000 0.898 92 L HN 0.217 nan 8.230 nan 0.000 0.433 93 D N 0.175 120.570 120.400 -0.010 0.000 2.178 93 D HA -0.136 4.502 4.640 -0.002 0.000 0.201 93 D C 2.079 178.393 176.300 0.024 0.000 0.980 93 D CA 1.435 55.444 54.000 0.015 0.000 0.842 93 D CB -0.241 40.553 40.800 -0.009 0.000 0.948 93 D HN 0.356 nan 8.370 nan 0.000 0.472 94 G N -0.036 108.729 108.800 -0.058 0.000 2.404 94 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.215 94 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.215 94 G C 1.365 176.313 174.900 0.080 0.000 1.174 94 G CA 0.188 45.248 45.100 -0.067 0.000 0.780 94 G HN 0.203 nan 8.290 nan 0.000 0.537 95 W N 0.807 122.159 121.300 0.086 0.000 2.363 95 W HA 0.114 4.773 4.660 -0.003 0.000 0.296 95 W C 2.468 179.151 176.519 0.273 0.000 1.212 95 W CA 0.247 57.702 57.345 0.183 0.000 1.260 95 W CB -1.011 28.591 29.460 0.236 0.000 1.131 95 W HN 0.161 nan 8.180 nan 0.000 0.530 96 L N 0.089 121.551 121.223 0.399 0.000 2.017 96 L HA -0.220 4.118 4.340 -0.002 0.000 0.208 96 L C 2.689 179.691 176.870 0.221 0.000 1.073 96 L CA 1.765 56.776 54.840 0.284 0.000 0.745 96 L CB -1.168 40.997 42.059 0.177 0.000 0.894 96 L HN -0.140 nan 8.230 nan 0.000 0.432 97 A N -0.891 122.025 122.820 0.160 0.000 1.902 97 A HA -0.301 4.017 4.320 -0.002 0.000 0.217 97 A C 2.069 179.704 177.584 0.085 0.000 1.181 97 A CA 1.925 54.022 52.037 0.100 0.000 0.623 97 A CB -0.864 18.175 19.000 0.064 0.000 0.818 97 A HN 0.562 nan 8.150 nan 0.000 0.443 98 H N -1.811 117.262 119.070 0.004 0.000 2.290 98 H HA -0.208 4.347 4.556 -0.003 0.000 0.298 98 H C 1.756 176.967 175.328 -0.195 0.000 1.087 98 H CA 2.570 58.538 56.048 -0.133 0.000 1.291 98 H CB -0.334 29.288 29.762 -0.232 0.000 1.369 98 H HN 0.530 nan 8.280 nan 0.000 0.492 99 Y N -0.043 120.312 120.300 0.092 0.000 2.286 99 Y HA -0.023 4.526 4.550 -0.002 0.000 0.293 99 Y C 2.581 178.472 175.900 -0.016 0.000 1.124 99 Y CA 1.279 59.381 58.100 0.003 0.000 1.178 99 Y CB -0.513 38.001 38.460 0.091 0.000 1.010 99 Y HN 0.343 nan 8.280 nan 0.000 0.536 100 N N -0.563 118.232 118.700 0.159 0.000 2.223 100 N HA -0.139 4.600 4.740 -0.002 0.000 0.185 100 N C 2.126 177.660 175.510 0.040 0.000 1.016 100 N CA 0.805 53.917 53.050 0.104 0.000 0.863 100 N CB -0.390 38.162 38.487 0.108 0.000 0.983 100 N HN 0.390 nan 8.380 nan 0.000 0.429 101 G N 0.256 109.053 108.800 -0.005 0.000 2.448 101 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.219 101 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.219 101 G C 1.226 176.095 174.900 -0.052 0.000 1.127 101 G CA 0.478 45.557 45.100 -0.035 0.000 0.766 101 G HN 0.376 nan 8.290 nan 0.000 0.552 102 Q N -0.706 119.049 119.800 -0.074 0.000 2.360 102 Q HA 0.335 4.674 4.340 -0.002 0.000 0.202 102 Q C 0.132 176.125 176.000 -0.011 0.000 0.915 102 Q CA -0.161 55.605 55.803 -0.062 0.000 0.943 102 Q CB 0.456 29.129 28.738 -0.110 0.000 1.064 102 Q HN 0.349 nan 8.270 nan 0.000 0.511 103 L N 2.101 123.331 121.223 0.011 0.000 2.331 103 L HA 0.457 4.795 4.340 -0.002 0.000 0.275 103 L C -2.074 174.809 176.870 0.020 0.000 1.022 103 L CA -2.312 52.541 54.840 0.022 0.000 0.812 103 L CB 1.076 43.158 42.059 0.039 0.000 1.257 103 L HN -0.062 nan 8.230 nan 0.000 0.435 104 P HA 0.171 nan 4.420 nan 0.000 0.272 104 P C -2.580 174.736 177.300 0.026 0.000 1.223 104 P CA -1.111 61.999 63.100 0.017 0.000 0.784 104 P CB -0.301 31.406 31.700 0.013 0.000 0.923 105 P HA 0.001 nan 4.420 nan 0.000 0.265 105 P C -0.159 177.162 177.300 0.034 0.000 1.187 105 P CA -0.231 62.886 63.100 0.029 0.000 0.766 105 P CB 0.399 32.108 31.700 0.016 0.000 0.820 106 L N 3.169 124.423 121.223 0.052 0.000 2.530 106 L HA -0.013 4.325 4.340 -0.002 0.000 0.273 106 L C 1.604 178.482 176.870 0.012 0.000 1.141 106 L CA 0.544 55.423 54.840 0.064 0.000 0.905 106 L CB -0.457 41.675 42.059 0.122 0.000 1.202 106 L HN 0.491 nan 8.230 nan 0.000 0.473 107 E N 3.377 123.582 120.200 0.008 0.000 2.033 107 E HA 0.091 4.439 4.350 -0.002 0.000 0.197 107 E C -0.311 176.248 176.600 -0.068 0.000 0.955 107 E CA -0.335 56.051 56.400 -0.023 0.000 0.855 107 E CB -0.221 29.478 29.700 -0.002 0.000 0.841 107 E HN 0.539 nan 8.360 nan 0.000 0.476 108 E N 0.798 120.988 120.200 -0.017 0.000 2.312 108 E HA 0.220 4.568 4.350 -0.002 0.000 0.259 108 E C -0.402 176.221 176.600 0.037 0.000 1.122 108 E CA -0.563 55.837 56.400 0.000 0.000 0.922 108 E CB 0.343 30.105 29.700 0.105 0.000 1.109 108 E HN 0.149 nan 8.360 nan 0.000 0.442 109 F N 0.620 120.709 119.950 0.231 0.000 2.459 109 F HA 0.150 4.677 4.527 0.001 0.000 0.346 109 F C 1.091 177.027 175.800 0.227 0.000 1.128 109 F CA -0.342 57.778 58.000 0.199 0.000 1.268 109 F CB 0.328 39.417 39.000 0.147 0.000 1.161 109 F HN 0.249 nan 8.300 nan 0.000 0.583 110 I N 1.131 121.937 120.570 0.394 0.000 2.797 110 I HA 0.621 4.789 4.170 -0.002 0.000 0.307 110 I C -1.310 174.920 176.117 0.188 0.000 1.033 110 I CA -0.996 60.465 61.300 0.269 0.000 1.071 110 I CB 1.884 40.008 38.000 0.205 0.000 1.255 110 I HN 0.366 nan 8.210 nan 0.000 0.445 111 L N 3.777 125.061 121.223 0.101 0.000 2.334 111 L HA 0.552 4.891 4.340 -0.002 0.000 0.275 111 L C -2.208 174.557 176.870 -0.176 0.000 1.036 111 L CA -1.909 52.934 54.840 0.004 0.000 0.807 111 L CB 1.450 43.542 42.059 0.054 0.000 1.231 111 L HN 0.457 nan 8.230 nan 0.000 0.438 112 P HA 0.277 nan 4.420 nan 0.000 0.276 112 P C -0.189 176.940 177.300 -0.284 0.000 1.253 112 P CA 0.306 63.011 63.100 -0.658 0.000 0.766 112 P CB 1.193 32.648 31.700 -0.408 0.000 0.845 113 G N 1.085 109.771 108.800 -0.190 0.000 2.352 113 G HA2 0.493 4.452 3.960 -0.002 0.000 0.283 113 G HA3 0.493 4.452 3.960 -0.002 0.000 0.283 113 G C -0.446 174.468 174.900 0.024 0.000 1.308 113 G CA 0.656 45.745 45.100 -0.019 0.000 0.892 113 G HN 0.800 nan 8.290 nan 0.000 0.504 114 G N -0.953 107.858 108.800 0.017 0.000 2.456 114 G HA2 0.496 4.454 3.960 -0.002 0.000 0.204 114 G HA3 0.496 4.454 3.960 -0.002 0.000 0.204 114 G C 0.697 175.604 174.900 0.012 0.000 1.193 114 G CA 1.215 46.324 45.100 0.015 0.000 1.220 114 G HN 2.484 nan 8.290 nan 0.000 0.565 115 A N 0.227 123.051 122.820 0.006 0.000 2.466 115 A HA 0.612 4.931 4.320 -0.002 0.000 0.238 115 A C 1.607 179.192 177.584 0.003 0.000 1.074 115 A CA 1.336 53.373 52.037 -0.000 0.000 0.774 115 A CB 0.293 19.288 19.000 -0.010 0.000 1.015 115 A HN 1.287 nan 8.150 nan 0.000 0.498 116 R N 1.261 121.760 120.500 -0.001 0.000 2.103 116 R HA -0.180 4.159 4.340 -0.002 0.000 0.242 116 R C 1.981 178.278 176.300 -0.005 0.000 1.142 116 R CA 2.238 58.338 56.100 0.000 0.000 0.960 116 R CB -0.668 29.631 30.300 -0.003 0.000 0.858 116 R HN 0.875 nan 8.270 nan 0.000 0.439 117 G N -0.396 108.394 108.800 -0.017 0.000 2.402 117 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.216 117 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.216 117 G C 1.497 176.373 174.900 -0.041 0.000 1.162 117 G CA 0.684 45.764 45.100 -0.033 0.000 0.777 117 G HN 0.485 nan 8.290 nan 0.000 0.539 118 A N 1.094 123.895 122.820 -0.032 0.000 1.930 118 A HA 0.310 4.629 4.320 -0.002 0.000 0.217 118 A C 2.786 180.403 177.584 0.055 0.000 1.175 118 A CA 2.121 54.139 52.037 -0.032 0.000 0.627 118 A CB -0.680 18.315 19.000 -0.008 0.000 0.815 118 A HN 0.730 nan 8.150 nan 0.000 0.443 119 A N -0.214 122.650 122.820 0.073 0.000 1.902 119 A HA -0.020 4.298 4.320 -0.002 0.000 0.217 119 A C 2.149 179.783 177.584 0.083 0.000 1.181 119 A CA 1.443 53.543 52.037 0.105 0.000 0.623 119 A CB -0.572 18.459 19.000 0.051 0.000 0.818 119 A HN 0.464 nan 8.150 nan 0.000 0.443 120 L N -0.811 120.430 121.223 0.029 0.000 2.093 120 L HA -0.174 4.164 4.340 -0.002 0.000 0.208 120 L C 3.069 179.935 176.870 -0.006 0.000 1.085 120 L CA 0.931 55.778 54.840 0.011 0.000 0.755 120 L CB -0.506 41.548 42.059 -0.008 0.000 0.904 120 L HN 0.442 nan 8.230 nan 0.000 0.435 121 A N -0.984 121.806 122.820 -0.051 0.000 1.933 121 A HA -0.235 4.084 4.320 -0.002 0.000 0.218 121 A C 2.117 179.627 177.584 -0.123 0.000 1.175 121 A CA 1.395 53.360 52.037 -0.121 0.000 0.628 121 A CB -0.708 18.163 19.000 -0.214 0.000 0.814 121 A HN 0.415 nan 8.150 nan 0.000 0.444 122 H N -0.965 118.098 119.070 -0.012 0.000 2.428 122 H HA -0.033 4.522 4.556 -0.002 0.000 0.296 122 H C 2.277 177.620 175.328 0.025 0.000 1.062 122 H CA 1.603 57.663 56.048 0.020 0.000 1.350 122 H CB -0.155 29.618 29.762 0.018 0.000 1.403 122 H HN 0.303 nan 8.280 nan 0.000 0.533 123 V N 0.059 120.044 119.914 0.119 0.000 2.358 123 V HA -0.250 3.869 4.120 -0.002 0.000 0.246 123 V C 2.764 178.888 176.094 0.049 0.000 1.047 123 V CA 1.378 63.721 62.300 0.072 0.000 1.035 123 V CB -0.589 31.261 31.823 0.046 0.000 0.658 123 V HN 0.485 nan 8.190 nan 0.000 0.452 124 C N -0.375 118.941 119.300 0.027 0.000 2.413 124 C HA -0.176 4.283 4.460 -0.002 0.000 0.276 124 C C 2.913 177.920 174.990 0.028 0.000 1.248 124 C CA 1.504 60.532 59.018 0.016 0.000 1.742 124 C CB -1.188 26.546 27.740 -0.010 0.000 2.017 124 C HN 0.575 nan 8.230 nan 0.000 0.481 125 R N 1.156 121.677 120.500 0.034 0.000 2.083 125 R HA -0.186 4.152 4.340 -0.002 0.000 0.237 125 R C 2.228 178.569 176.300 0.068 0.000 1.137 125 R CA 2.546 58.681 56.100 0.059 0.000 0.951 125 R CB -0.656 29.705 30.300 0.102 0.000 0.851 125 R HN 0.709 nan 8.270 nan 0.000 0.434 126 T N -2.003 112.597 114.554 0.077 0.000 2.867 126 T HA -0.030 4.319 4.350 -0.002 0.000 0.268 126 T C 1.959 176.683 174.700 0.039 0.000 1.057 126 T CA 1.226 63.361 62.100 0.058 0.000 1.136 126 T CB -0.332 68.570 68.868 0.057 0.000 0.874 126 T HN 0.083 nan 8.240 nan 0.000 0.466 127 V N 0.782 120.719 119.914 0.038 0.000 2.548 127 V HA -0.101 4.018 4.120 -0.002 0.000 0.249 127 V C 3.052 179.166 176.094 0.033 0.000 1.055 127 V CA 1.203 63.521 62.300 0.030 0.000 1.065 127 V CB -0.893 30.946 31.823 0.027 0.000 0.681 127 V HN 0.778 nan 8.190 nan 0.000 0.462 128 C N 0.766 120.089 119.300 0.040 0.000 2.429 128 C HA -0.140 4.319 4.460 -0.002 0.000 0.277 128 C C 2.999 178.014 174.990 0.041 0.000 1.262 128 C CA 1.139 60.185 59.018 0.047 0.000 1.733 128 C CB -0.974 26.796 27.740 0.051 0.000 2.010 128 C HN 0.533 nan 8.230 nan 0.000 0.483 129 R N 0.001 120.521 120.500 0.034 0.000 2.148 129 R HA -0.087 4.252 4.340 -0.002 0.000 0.227 129 R C 2.487 178.799 176.300 0.020 0.000 1.103 129 R CA 1.473 57.588 56.100 0.025 0.000 0.983 129 R CB -0.399 29.913 30.300 0.020 0.000 0.874 129 R HN 0.606 nan 8.270 nan 0.000 0.451 130 R N 0.785 121.298 120.500 0.021 0.000 2.075 130 R HA -0.056 4.282 4.340 -0.002 0.000 0.232 130 R C 2.080 178.390 176.300 0.017 0.000 1.126 130 R CA 1.459 57.568 56.100 0.015 0.000 0.963 130 R CB -0.206 30.103 30.300 0.015 0.000 0.858 130 R HN 0.196 nan 8.270 nan 0.000 0.435 131 A N 0.786 123.620 122.820 0.024 0.000 1.933 131 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 131 A C 2.041 179.641 177.584 0.026 0.000 1.175 131 A CA 1.595 53.647 52.037 0.025 0.000 0.628 131 A CB -0.580 18.441 19.000 0.035 0.000 0.814 131 A HN 0.631 nan 8.150 nan 0.000 0.444 132 E N -0.093 120.126 120.200 0.031 0.000 2.077 132 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 132 E C 2.215 178.826 176.600 0.018 0.000 0.989 132 E CA 1.117 57.535 56.400 0.029 0.000 0.800 132 E CB -0.115 29.602 29.700 0.028 0.000 0.746 132 E HN 0.611 nan 8.360 nan 0.000 0.452 133 R N 0.225 120.733 120.500 0.013 0.000 2.081 133 R HA -0.101 4.238 4.340 -0.002 0.000 0.235 133 R C 2.756 179.060 176.300 0.006 0.000 1.131 133 R CA 1.605 57.709 56.100 0.007 0.000 0.960 133 R CB -0.323 29.980 30.300 0.004 0.000 0.856 133 R HN 0.247 nan 8.270 nan 0.000 0.436 134 S N 0.604 116.308 115.700 0.007 0.000 2.428 134 S HA -0.039 4.430 4.470 -0.002 0.000 0.230 134 S C 2.008 176.610 174.600 0.003 0.000 1.014 134 S CA 0.697 58.899 58.200 0.004 0.000 0.957 134 S CB -0.274 62.928 63.200 0.003 0.000 0.784 134 S HN 0.198 nan 8.310 nan 0.000 0.499 135 I N 1.233 121.807 120.570 0.007 0.000 2.353 135 I HA -0.073 4.096 4.170 -0.002 0.000 0.248 135 I C 2.327 178.448 176.117 0.006 0.000 1.119 135 I CA 0.698 62.002 61.300 0.007 0.000 1.417 135 I CB -0.279 37.730 38.000 0.014 0.000 1.078 135 I HN 0.196 nan 8.210 nan 0.000 0.421 136 V N 0.999 120.918 119.914 0.008 0.000 2.427 136 V HA -0.256 3.862 4.120 -0.002 0.000 0.248 136 V C 2.666 178.762 176.094 0.003 0.000 1.051 136 V CA 1.904 64.207 62.300 0.006 0.000 1.048 136 V CB -0.851 30.976 31.823 0.006 0.000 0.666 136 V HN 0.474 nan 8.190 nan 0.000 0.456 137 A N -0.123 122.698 122.820 0.002 0.000 1.898 137 A HA -0.163 4.155 4.320 -0.002 0.000 0.216 137 A C 2.137 179.720 177.584 -0.001 0.000 1.181 137 A CA 1.910 53.947 52.037 -0.000 0.000 0.620 137 A CB -0.510 18.490 19.000 -0.001 0.000 0.819 137 A HN 0.459 nan 8.150 nan 0.000 0.442 138 L N 0.193 121.415 121.223 -0.001 0.000 2.046 138 L HA 0.011 4.350 4.340 -0.002 0.000 0.208 138 L C 2.281 179.149 176.870 -0.002 0.000 1.077 138 L CA 2.366 57.205 54.840 -0.003 0.000 0.747 138 L CB -1.036 41.020 42.059 -0.005 0.000 0.896 138 L HN 0.264 nan 8.230 nan 0.000 0.432 139 G N -1.272 107.527 108.800 -0.001 0.000 2.471 139 G HA2 -0.133 3.825 3.960 -0.002 0.000 0.219 139 G HA3 -0.133 3.825 3.960 -0.002 0.000 0.219 139 G C 1.463 176.362 174.900 -0.000 0.000 1.125 139 G CA 0.571 45.671 45.100 -0.000 0.000 0.775 139 G HN 0.626 nan 8.290 nan 0.000 0.548 140 A N 0.666 123.485 122.820 -0.000 0.000 2.169 140 A HA 0.254 4.573 4.320 -0.002 0.000 0.212 140 A C 2.373 179.957 177.584 -0.001 0.000 1.153 140 A CA 1.792 53.828 52.037 -0.001 0.000 0.756 140 A CB -0.079 18.921 19.000 -0.001 0.000 0.813 140 A HN 0.618 nan 8.150 nan 0.000 0.471 141 S N -1.611 114.088 115.700 -0.002 0.000 2.578 141 S HA 0.297 4.765 4.470 -0.002 0.000 0.228 141 S C 0.085 174.683 174.600 -0.002 0.000 1.022 141 S CA -0.367 57.832 58.200 -0.002 0.000 0.967 141 S CB 0.240 63.439 63.200 -0.002 0.000 0.914 141 S HN 0.458 nan 8.310 nan 0.000 0.515 142 E N 2.261 122.460 120.200 -0.002 0.000 2.321 142 E HA 0.356 4.705 4.350 -0.002 0.000 0.278 142 E C -3.125 173.474 176.600 -0.002 0.000 0.902 142 E CA -2.434 53.965 56.400 -0.002 0.000 0.758 142 E CB 2.260 31.959 29.700 -0.003 0.000 1.213 142 E HN 0.114 nan 8.360 nan 0.000 0.426 143 P HA 0.042 nan 4.420 nan 0.000 0.262 143 P C -0.989 176.310 177.300 -0.002 0.000 1.199 143 P CA -0.025 63.075 63.100 -0.001 0.000 0.763 143 P CB 0.611 32.311 31.700 -0.000 0.000 0.790 144 L N 3.989 125.210 121.223 -0.002 0.000 2.393 144 L HA 0.463 4.801 4.340 -0.002 0.000 0.260 144 L C -0.229 176.638 176.870 -0.006 0.000 1.002 144 L CA -0.881 53.956 54.840 -0.005 0.000 0.818 144 L CB 1.900 43.956 42.059 -0.005 0.000 1.369 144 L HN 0.181 nan 8.230 nan 0.000 0.412 145 N N 1.559 120.252 118.700 -0.011 0.000 2.444 145 N HA 0.245 4.984 4.740 -0.002 0.000 0.255 145 N C 0.455 175.963 175.510 -0.003 0.000 1.255 145 N CA 0.549 53.593 53.050 -0.011 0.000 0.933 145 N CB 1.466 39.938 38.487 -0.024 0.000 1.143 145 N HN 0.792 nan 8.380 nan 0.000 0.453 146 A N 0.986 123.808 122.820 0.004 0.000 2.072 146 A HA 0.111 4.429 4.320 -0.002 0.000 0.216 146 A C 2.028 179.627 177.584 0.026 0.000 1.156 146 A CA 1.163 53.208 52.037 0.013 0.000 0.701 146 A CB -0.503 18.505 19.000 0.014 0.000 0.816 146 A HN 0.729 nan 8.150 nan 0.000 0.458 147 A N 1.102 123.936 122.820 0.023 0.000 1.903 147 A HA -0.127 4.192 4.320 -0.002 0.000 0.219 147 A C 0.244 177.869 177.584 0.068 0.000 1.191 147 A CA 2.127 54.191 52.037 0.046 0.000 0.638 147 A CB -1.765 17.249 19.000 0.024 0.000 0.823 147 A HN 0.438 nan 8.150 nan 0.000 0.451 148 P HA -0.198 nan 4.420 nan 0.000 0.215 148 P C 1.800 179.155 177.300 0.090 0.000 1.157 148 P CA 1.706 64.823 63.100 0.028 0.000 0.874 148 P CB -0.140 31.551 31.700 -0.015 0.000 0.790 149 R N 0.010 120.546 120.500 0.061 0.000 2.073 149 R HA -0.112 4.227 4.340 -0.002 0.000 0.234 149 R C 2.285 178.630 176.300 0.074 0.000 1.134 149 R CA 1.566 57.701 56.100 0.058 0.000 0.952 149 R CB -0.254 30.067 30.300 0.034 0.000 0.850 149 R HN 0.072 nan 8.270 nan 0.000 0.433 150 R N -1.095 119.452 120.500 0.078 0.000 2.115 150 R HA -0.174 4.165 4.340 -0.002 0.000 0.230 150 R C 2.153 178.508 176.300 0.091 0.000 1.111 150 R CA 1.536 57.679 56.100 0.070 0.000 0.976 150 R CB -0.430 29.908 30.300 0.064 0.000 0.870 150 R HN 0.352 nan 8.270 nan 0.000 0.445 151 Y N 1.528 121.844 120.300 0.026 0.000 2.133 151 Y HA -0.233 4.316 4.550 -0.003 0.000 0.287 151 Y C 2.248 178.177 175.900 0.049 0.000 1.134 151 Y CA 1.667 59.792 58.100 0.042 0.000 1.133 151 Y CB -0.126 38.349 38.460 0.025 0.000 0.987 151 Y HN -0.114 nan 8.280 nan 0.000 0.502 152 V N -1.000 119.052 119.914 0.230 0.000 2.759 152 V HA -0.236 3.883 4.120 -0.002 0.000 0.256 152 V C 1.940 178.053 176.094 0.032 0.000 1.080 152 V CA 2.135 64.516 62.300 0.135 0.000 1.101 152 V CB -1.237 30.673 31.823 0.145 0.000 0.698 152 V HN 0.583 nan 8.190 nan 0.000 0.477 153 N N 0.810 119.524 118.700 0.023 0.000 2.084 153 N HA -0.203 4.536 4.740 -0.002 0.000 0.190 153 N C 2.181 177.679 175.510 -0.020 0.000 1.030 153 N CA 1.689 54.741 53.050 0.004 0.000 0.849 153 N CB -0.046 38.447 38.487 0.009 0.000 1.012 153 N HN 0.491 nan 8.380 nan 0.000 0.423 154 R N 0.194 120.661 120.500 -0.055 0.000 2.090 154 R HA -0.067 4.272 4.340 -0.002 0.000 0.228 154 R C 2.222 178.478 176.300 -0.074 0.000 1.110 154 R CA 0.570 56.630 56.100 -0.067 0.000 0.973 154 R CB -0.318 29.921 30.300 -0.101 0.000 0.869 154 R HN 0.226 nan 8.270 nan 0.000 0.440 155 L N 1.104 122.242 121.223 -0.141 0.000 2.046 155 L HA -0.176 4.162 4.340 -0.002 0.000 0.208 155 L C 2.221 179.087 176.870 -0.006 0.000 1.077 155 L CA 2.112 56.899 54.840 -0.089 0.000 0.747 155 L CB -0.601 41.407 42.059 -0.085 0.000 0.896 155 L HN 0.180 nan 8.230 nan 0.000 0.432 156 S N -1.788 113.917 115.700 0.008 0.000 2.402 156 S HA -0.209 4.260 4.470 -0.002 0.000 0.229 156 S C 1.908 176.542 174.600 0.057 0.000 1.021 156 S CA 1.043 59.264 58.200 0.034 0.000 0.974 156 S CB -0.742 62.475 63.200 0.029 0.000 0.800 156 S HN 0.594 nan 8.310 nan 0.000 0.484 157 D N 1.498 121.921 120.400 0.039 0.000 2.097 157 D HA -0.078 4.560 4.640 -0.002 0.000 0.195 157 D C 1.871 178.247 176.300 0.127 0.000 0.989 157 D CA 1.071 55.110 54.000 0.065 0.000 0.827 157 D CB -0.525 40.296 40.800 0.034 0.000 0.966 157 D HN 0.371 nan 8.370 nan 0.000 0.456 158 L N 0.387 121.661 121.223 0.084 0.000 2.083 158 L HA -0.032 4.306 4.340 -0.002 0.000 0.209 158 L C 2.266 179.144 176.870 0.012 0.000 1.083 158 L CA 1.293 56.181 54.840 0.080 0.000 0.752 158 L CB -0.550 41.563 42.059 0.090 0.000 0.899 158 L HN 0.117 nan 8.230 nan 0.000 0.433 159 L N -1.865 119.361 121.223 0.005 0.000 2.093 159 L HA -0.208 4.130 4.340 -0.002 0.000 0.208 159 L C 2.387 179.200 176.870 -0.095 0.000 1.085 159 L CA 1.261 56.065 54.840 -0.061 0.000 0.755 159 L CB -0.602 41.437 42.059 -0.034 0.000 0.904 159 L HN 0.315 nan 8.230 nan 0.000 0.435 160 F N 0.168 120.037 119.950 -0.136 0.000 2.102 160 F HA -0.194 4.331 4.527 -0.003 0.000 0.298 160 F C 2.242 177.970 175.800 -0.121 0.000 1.105 160 F CA 1.542 59.457 58.000 -0.140 0.000 1.239 160 F CB -0.232 38.764 39.000 -0.006 0.000 0.991 160 F HN -0.262 nan 8.300 nan 0.000 0.474 161 V N 0.932 120.889 119.914 0.071 0.000 2.343 161 V HA -0.308 3.811 4.120 -0.002 0.000 0.247 161 V C 2.477 178.467 176.094 -0.175 0.000 1.051 161 V CA 1.934 64.226 62.300 -0.013 0.000 1.036 161 V CB -0.766 31.129 31.823 0.120 0.000 0.654 161 V HN 0.391 nan 8.190 nan 0.000 0.451 162 L N -0.029 121.053 121.223 -0.234 0.000 2.201 162 L HA -0.115 4.223 4.340 -0.002 0.000 0.212 162 L C 2.697 179.386 176.870 -0.301 0.000 1.105 162 L CA 1.239 55.876 54.840 -0.339 0.000 0.775 162 L CB -0.757 41.086 42.059 -0.360 0.000 0.913 162 L HN 0.372 nan 8.230 nan 0.000 0.440 163 A N 0.377 122.983 122.820 -0.357 0.000 1.902 163 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 163 A C 2.392 179.821 177.584 -0.258 0.000 1.181 163 A CA 1.361 53.173 52.037 -0.375 0.000 0.623 163 A CB -0.391 18.144 19.000 -0.774 0.000 0.818 163 A HN 0.324 nan 8.150 nan 0.000 0.443 164 R N -0.716 119.607 120.500 -0.296 0.000 2.075 164 R HA -0.064 4.275 4.340 -0.002 0.000 0.232 164 R C 2.017 178.245 176.300 -0.120 0.000 1.126 164 R CA 1.361 57.345 56.100 -0.193 0.000 0.963 164 R CB -0.603 29.576 30.300 -0.202 0.000 0.858 164 R HN 0.383 nan 8.270 nan 0.000 0.435 165 V N 1.713 121.547 119.914 -0.134 0.000 2.332 165 V HA -0.232 3.886 4.120 -0.002 0.000 0.248 165 V C 2.293 178.335 176.094 -0.087 0.000 1.055 165 V CA 1.665 63.910 62.300 -0.092 0.000 1.038 165 V CB -0.394 31.333 31.823 -0.160 0.000 0.651 165 V HN 0.297 nan 8.190 nan 0.000 0.450 166 L N -0.112 121.038 121.223 -0.121 0.000 2.141 166 L HA -0.117 4.221 4.340 -0.002 0.000 0.209 166 L C 2.422 179.257 176.870 -0.058 0.000 1.094 166 L CA 1.138 55.923 54.840 -0.091 0.000 0.763 166 L CB -0.642 41.352 42.059 -0.108 0.000 0.908 166 L HN 0.379 nan 8.230 nan 0.000 0.437 167 N N -0.007 118.659 118.700 -0.057 0.000 2.188 167 N HA -0.118 4.621 4.740 -0.002 0.000 0.184 167 N C 1.940 177.436 175.510 -0.024 0.000 1.018 167 N CA 0.911 53.942 53.050 -0.033 0.000 0.858 167 N CB -0.055 38.415 38.487 -0.028 0.000 0.989 167 N HN 0.257 nan 8.380 nan 0.000 0.426 168 R N 1.013 121.498 120.500 -0.026 0.000 2.066 168 R HA 0.039 4.378 4.340 -0.002 0.000 0.232 168 R C 2.082 178.377 176.300 -0.009 0.000 1.131 168 R CA 1.043 57.135 56.100 -0.013 0.000 0.955 168 R CB -0.967 29.328 30.300 -0.008 0.000 0.851 168 R HN 0.172 nan 8.270 nan 0.000 0.432 169 A N 1.488 124.301 122.820 -0.013 0.000 1.978 169 A HA -0.065 4.254 4.320 -0.002 0.000 0.220 169 A C 2.223 179.802 177.584 -0.009 0.000 1.170 169 A CA 1.779 53.812 52.037 -0.008 0.000 0.636 169 A CB -0.414 18.577 19.000 -0.015 0.000 0.810 169 A HN 0.370 nan 8.150 nan 0.000 0.448 170 A N -1.974 120.839 122.820 -0.013 0.000 2.238 170 A HA 0.412 4.730 4.320 -0.002 0.000 0.208 170 A C 1.759 179.339 177.584 -0.006 0.000 1.177 170 A CA 1.179 53.210 52.037 -0.010 0.000 0.804 170 A CB -0.878 18.114 19.000 -0.012 0.000 0.823 170 A HN 1.903 nan 8.150 nan 0.000 0.482 171 G N -2.300 106.497 108.800 -0.005 0.000 2.132 171 G HA2 -0.008 3.950 3.960 -0.002 0.000 0.234 171 G HA3 -0.008 3.950 3.960 -0.002 0.000 0.234 171 G C 0.673 175.572 174.900 -0.003 0.000 0.989 171 G CA 0.442 45.540 45.100 -0.003 0.000 0.676 171 G HN 1.345 nan 8.290 nan 0.000 0.522 172 G N -1.021 107.777 108.800 -0.004 0.000 3.008 172 G HA2 1.045 5.003 3.960 -0.002 0.000 0.181 172 G HA3 1.045 5.003 3.960 -0.002 0.000 0.181 172 G C -0.095 174.803 174.900 -0.003 0.000 1.309 172 G CA 0.535 45.633 45.100 -0.003 0.000 1.009 172 G HN 1.641 nan 8.290 nan 0.000 0.584 173 A N -1.344 121.475 122.820 -0.001 0.000 2.567 173 A HA 0.678 4.996 4.320 -0.002 0.000 0.289 173 A C -1.436 176.149 177.584 0.002 0.000 1.177 173 A CA -0.629 51.408 52.037 -0.000 0.000 0.694 173 A CB 0.976 19.979 19.000 0.005 0.000 1.292 173 A HN 0.460 nan 8.150 nan 0.000 0.425 174 D N 0.562 120.964 120.400 0.004 0.000 2.341 174 D HA 0.380 5.018 4.640 -0.002 0.000 0.245 174 D C -0.192 176.124 176.300 0.027 0.000 1.106 174 D CA 0.141 54.148 54.000 0.010 0.000 0.905 174 D CB 1.432 42.237 40.800 0.007 0.000 1.202 174 D HN 0.182 nan 8.370 nan 0.000 0.426 175 V N 2.926 122.856 119.914 0.027 0.000 2.455 175 V HA 0.123 4.242 4.120 -0.002 0.000 0.273 175 V C 0.615 176.757 176.094 0.080 0.000 1.045 175 V CA -0.386 61.937 62.300 0.039 0.000 0.976 175 V CB 0.290 32.126 31.823 0.023 0.000 0.993 175 V HN 0.239 nan 8.190 nan 0.000 0.475 176 L N 4.134 125.413 121.223 0.093 0.000 2.357 176 L HA 0.451 4.789 4.340 -0.002 0.000 0.273 176 L C -0.177 176.815 176.870 0.204 0.000 1.080 176 L CA -0.408 54.522 54.840 0.150 0.000 0.803 176 L CB 1.120 43.242 42.059 0.106 0.000 1.174 176 L HN 0.714 nan 8.230 nan 0.000 0.443 177 W N 2.766 124.121 121.300 0.092 0.000 2.184 177 W HA 0.182 4.840 4.660 -0.003 0.000 0.338 177 W C 0.512 177.078 176.519 0.078 0.000 1.257 177 W CA -0.128 57.267 57.345 0.084 0.000 1.243 177 W CB 0.681 30.215 29.460 0.122 0.000 1.122 177 W HN 0.519 nan 8.180 nan 0.000 0.585 178 D N 0.000 119.950 120.400 -0.749 0.000 6.856 178 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 178 D CA 0.000 53.568 54.000 -0.720 0.000 0.868 178 D CB 0.000 40.448 40.800 -0.587 0.000 0.688 178 D HN 0.000 nan 8.370 nan 0.000 0.683