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 2v5v_1_B DATA FIRST_RESID 2 DATA SEQUENCE KKIGLFYGTQ TGKTESVAEI IRDEFGNDVV TLHDVSQAEV TDLNDYQYLI DATA SEQUENCE IGCPTENIGE LQSDWEGLYS ELDDVDFNGK LVAYFGTGDQ IGYADNFQDA DATA SEQUENCE IGILEEKISQ RGGKTVGYWS TDGYDFNDSK ALRNGKFVGL ALDEDNQSDL DATA SEQUENCE TDDRIKSWVA QLKSEFGL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.730 176.600 0.217 0.000 0.988 2 K CA 0.000 56.368 56.287 0.136 0.000 0.838 2 K CB 0.000 32.568 32.500 0.114 0.000 1.064 3 K N 0.829 121.310 120.400 0.136 0.000 2.418 3 K HA 0.157 4.477 4.320 -0.000 0.000 0.195 3 K C 0.257 176.990 176.600 0.221 0.000 1.035 3 K CA 0.800 57.195 56.287 0.179 0.000 1.003 3 K CB 0.081 32.643 32.500 0.104 0.000 0.793 3 K HN 0.376 nan 8.250 nan 0.000 0.494 4 I N 1.670 122.280 120.570 0.066 0.000 2.436 4 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 4 I C -0.426 175.502 176.117 -0.316 0.000 1.010 4 I CA -1.143 60.082 61.300 -0.125 0.000 1.098 4 I CB 2.078 39.861 38.000 -0.362 0.000 1.266 4 I HN 0.093 nan 8.210 nan 0.000 0.434 5 G N 6.884 115.311 108.800 -0.621 0.000 2.384 5 G HA2 0.580 4.540 3.960 -0.000 0.000 0.316 5 G HA3 0.580 4.540 3.960 -0.000 0.000 0.316 5 G C -1.149 173.583 174.900 -0.279 0.000 1.160 5 G CA -0.425 44.051 45.100 -1.040 0.000 0.936 5 G HN 0.548 nan 8.290 nan 0.000 0.455 6 L N 2.946 124.038 121.223 -0.218 0.000 2.276 6 L HA 0.635 4.974 4.340 -0.000 0.000 0.286 6 L C -1.198 175.718 176.870 0.076 0.000 1.024 6 L CA -0.928 53.969 54.840 0.095 0.000 0.826 6 L CB 0.518 42.670 42.059 0.156 0.000 1.211 6 L HN 0.367 nan 8.230 nan 0.000 0.422 7 F N 5.761 125.880 119.950 0.281 0.000 2.361 7 F HA 0.391 4.918 4.527 -0.001 0.000 0.364 7 F C -0.161 175.873 175.800 0.391 0.000 1.117 7 F CA -0.523 57.622 58.000 0.242 0.000 1.071 7 F CB 0.776 39.884 39.000 0.179 0.000 1.188 7 F HN 0.364 nan 8.300 nan 0.000 0.464 8 Y N 0.608 121.109 120.300 0.334 0.000 2.562 8 Y HA 0.965 5.515 4.550 -0.000 0.000 0.343 8 Y C -0.186 175.841 175.900 0.212 0.000 1.025 8 Y CA -1.841 56.458 58.100 0.331 0.000 1.082 8 Y CB 1.363 39.975 38.460 0.253 0.000 1.264 8 Y HN 0.601 nan 8.280 nan 0.000 0.478 9 G N 0.230 109.258 108.800 0.380 0.000 2.432 9 G HA2 0.552 4.511 3.960 -0.000 0.000 0.331 9 G HA3 0.552 4.511 3.960 -0.000 0.000 0.331 9 G C -1.450 173.628 174.900 0.297 0.000 1.170 9 G CA -0.877 44.345 45.100 0.203 0.000 0.943 9 G HN 0.826 nan 8.290 nan 0.000 0.483 10 T N -0.853 113.822 114.554 0.201 0.000 2.889 10 T HA 0.416 4.766 4.350 -0.000 0.000 0.315 10 T C 0.142 174.902 174.700 0.101 0.000 1.291 10 T CA -0.300 61.908 62.100 0.180 0.000 1.028 10 T CB 2.187 71.204 68.868 0.249 0.000 1.235 10 T HN 0.504 nan 8.240 nan 0.000 0.491 11 Q N 0.762 120.605 119.800 0.072 0.000 2.619 11 Q HA 0.254 4.593 4.340 -0.000 0.000 0.230 11 Q C 1.784 177.811 176.000 0.045 0.000 0.871 11 Q CA 1.488 57.320 55.803 0.047 0.000 0.934 11 Q CB 0.341 29.096 28.738 0.028 0.000 1.183 11 Q HN 0.712 nan 8.270 nan 0.000 0.631 12 T N -2.867 111.713 114.554 0.043 0.000 3.134 12 T HA 0.425 4.775 4.350 -0.000 0.000 0.260 12 T C 1.082 175.806 174.700 0.040 0.000 1.027 12 T CA 0.555 62.677 62.100 0.037 0.000 0.913 12 T CB 0.464 69.350 68.868 0.030 0.000 1.046 12 T HN 0.551 nan 8.240 nan 0.000 0.553 13 G N 1.927 110.760 108.800 0.054 0.000 2.179 13 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 13 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 13 G C 0.938 175.855 174.900 0.029 0.000 0.977 13 G CA 0.528 45.658 45.100 0.050 0.000 0.641 13 G HN 0.572 nan 8.290 nan 0.000 0.533 14 K N -0.244 120.176 120.400 0.033 0.000 2.155 14 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 14 K C 2.478 179.096 176.600 0.031 0.000 1.052 14 K CA 1.557 57.858 56.287 0.024 0.000 0.948 14 K CB -0.249 32.268 32.500 0.028 0.000 0.728 14 K HN 0.376 nan 8.250 nan 0.000 0.448 15 T N 1.292 115.883 114.554 0.062 0.000 2.867 15 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 15 T C 1.747 176.465 174.700 0.030 0.000 1.057 15 T CA 1.130 63.305 62.100 0.126 0.000 1.136 15 T CB -0.033 68.919 68.868 0.141 0.000 0.874 15 T HN 0.351 nan 8.240 nan 0.000 0.466 16 E N 1.252 121.399 120.200 -0.089 0.000 2.051 16 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 16 E C 2.403 178.858 176.600 -0.242 0.000 0.991 16 E CA 1.451 57.632 56.400 -0.366 0.000 0.799 16 E CB -0.048 29.569 29.700 -0.139 0.000 0.748 16 E HN 0.597 nan 8.360 nan 0.000 0.449 17 S N -0.277 115.358 115.700 -0.109 0.000 2.382 17 S HA -0.120 4.349 4.470 -0.000 0.000 0.228 17 S C 2.097 176.637 174.600 -0.100 0.000 1.027 17 S CA 1.170 59.319 58.200 -0.085 0.000 0.991 17 S CB -0.458 62.715 63.200 -0.044 0.000 0.823 17 S HN 0.145 nan 8.310 nan 0.000 0.469 18 V N 2.703 122.562 119.914 -0.091 0.000 2.295 18 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 18 V C 3.186 179.125 176.094 -0.259 0.000 1.049 18 V CA 1.626 63.836 62.300 -0.150 0.000 1.024 18 V CB -1.590 30.179 31.823 -0.090 0.000 0.648 18 V HN 0.670 nan 8.190 nan 0.000 0.447 19 A N -0.047 122.641 122.820 -0.220 0.000 1.892 19 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 19 A C 2.150 179.624 177.584 -0.182 0.000 1.188 19 A CA 2.191 54.090 52.037 -0.231 0.000 0.631 19 A CB -0.550 18.255 19.000 -0.324 0.000 0.822 19 A HN 0.657 nan 8.150 nan 0.000 0.447 20 E N -0.453 119.645 120.200 -0.169 0.000 2.110 20 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 20 E C 1.842 178.397 176.600 -0.075 0.000 0.988 20 E CA 1.074 57.413 56.400 -0.103 0.000 0.804 20 E CB -0.231 29.417 29.700 -0.088 0.000 0.745 20 E HN 0.562 nan 8.360 nan 0.000 0.458 21 I N 1.042 121.557 120.570 -0.092 0.000 2.252 21 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 21 I C 2.361 178.442 176.117 -0.060 0.000 1.102 21 I CA 1.179 62.435 61.300 -0.074 0.000 1.385 21 I CB -0.937 37.012 38.000 -0.085 0.000 1.064 21 I HN 0.147 nan 8.210 nan 0.000 0.414 22 I N 0.542 121.057 120.570 -0.090 0.000 2.163 22 I HA -0.329 3.840 4.170 -0.000 0.000 0.243 22 I C 2.853 179.059 176.117 0.148 0.000 1.085 22 I CA 1.368 62.667 61.300 -0.002 0.000 1.347 22 I CB -0.450 37.500 38.000 -0.083 0.000 1.044 22 I HN 0.225 nan 8.210 nan 0.000 0.408 23 R N 1.044 121.590 120.500 0.076 0.000 2.091 23 R HA -0.217 4.123 4.340 -0.000 0.000 0.238 23 R C 1.758 178.114 176.300 0.092 0.000 1.136 23 R CA 2.142 58.297 56.100 0.091 0.000 0.959 23 R CB -0.254 30.052 30.300 0.011 0.000 0.856 23 R HN 0.333 nan 8.270 nan 0.000 0.437 24 D N 0.136 120.558 120.400 0.038 0.000 2.178 24 D HA -0.138 4.501 4.640 -0.000 0.000 0.202 24 D C 1.718 178.031 176.300 0.021 0.000 0.974 24 D CA 0.976 54.989 54.000 0.021 0.000 0.841 24 D CB -0.084 40.713 40.800 -0.005 0.000 0.953 24 D HN 0.248 nan 8.370 nan 0.000 0.478 25 E N -0.381 119.824 120.200 0.008 0.000 2.152 25 E HA -0.047 4.303 4.350 -0.000 0.000 0.192 25 E C 1.702 178.245 176.600 -0.096 0.000 0.983 25 E CA 0.455 56.817 56.400 -0.064 0.000 0.818 25 E CB -0.233 29.397 29.700 -0.117 0.000 0.758 25 E HN 0.216 nan 8.360 nan 0.000 0.467 26 F N -0.355 119.575 119.950 -0.033 0.000 2.187 26 F HA 0.251 4.777 4.527 -0.000 0.000 0.295 26 F C 1.147 176.935 175.800 -0.021 0.000 1.091 26 F CA 1.437 59.421 58.000 -0.027 0.000 1.308 26 F CB 0.375 39.363 39.000 -0.019 0.000 1.030 26 F HN 0.080 nan 8.300 nan 0.000 0.487 27 G N 0.250 109.159 108.800 0.182 0.000 3.088 27 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.620 27 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.620 27 G C 0.137 175.084 174.900 0.078 0.000 1.375 27 G CA -0.380 44.780 45.100 0.100 0.000 1.016 27 G HN 0.005 nan 8.290 nan 0.000 0.590 28 N N 0.890 119.616 118.700 0.043 0.000 2.111 28 N HA -0.203 4.537 4.740 -0.000 0.000 0.197 28 N C 1.841 177.359 175.510 0.013 0.000 1.011 28 N CA 2.369 55.432 53.050 0.022 0.000 0.880 28 N CB 0.029 38.523 38.487 0.011 0.000 1.031 28 N HN 0.861 nan 8.380 nan 0.000 0.444 29 D N -1.316 119.095 120.400 0.019 0.000 2.340 29 D HA 0.023 4.663 4.640 -0.000 0.000 0.220 29 D C 1.578 177.885 176.300 0.011 0.000 1.039 29 D CA 0.059 54.066 54.000 0.013 0.000 0.866 29 D CB 0.030 40.839 40.800 0.014 0.000 0.913 29 D HN 0.059 nan 8.370 nan 0.000 0.523 30 V N -0.163 119.757 119.914 0.010 0.000 2.825 30 V HA 0.101 4.220 4.120 -0.000 0.000 0.246 30 V C 0.737 176.781 176.094 -0.085 0.000 1.068 30 V CA 0.363 62.650 62.300 -0.021 0.000 1.088 30 V CB 0.373 32.206 31.823 0.016 0.000 0.733 30 V HN 0.137 nan 8.190 nan 0.000 0.468 31 V N -0.154 119.708 119.914 -0.086 0.000 2.540 31 V HA 0.465 4.585 4.120 -0.000 0.000 0.302 31 V C -0.292 175.742 176.094 -0.101 0.000 1.035 31 V CA -0.342 61.874 62.300 -0.139 0.000 0.873 31 V CB 1.735 33.447 31.823 -0.184 0.000 0.992 31 V HN 0.227 nan 8.190 nan 0.000 0.428 32 T N 5.711 120.181 114.554 -0.139 0.000 2.771 32 T HA 0.613 4.962 4.350 -0.000 0.000 0.281 32 T C -0.501 173.982 174.700 -0.363 0.000 0.982 32 T CA -0.357 61.616 62.100 -0.213 0.000 0.978 32 T CB 1.147 69.934 68.868 -0.134 0.000 0.930 32 T HN 0.228 nan 8.240 nan 0.000 0.447 33 L N 4.075 125.103 121.223 -0.325 0.000 2.350 33 L HA 0.399 4.739 4.340 -0.000 0.000 0.275 33 L C 0.268 176.847 176.870 -0.485 0.000 1.099 33 L CA -0.144 54.572 54.840 -0.205 0.000 0.808 33 L CB 0.442 42.524 42.059 0.038 0.000 1.149 33 L HN 0.625 nan 8.230 nan 0.000 0.442 34 H N 1.658 120.574 119.070 -0.256 0.000 3.013 34 H HA 0.167 4.723 4.556 -0.000 0.000 0.326 34 H C -1.110 173.895 175.328 -0.538 0.000 0.973 34 H CA -0.800 54.998 56.048 -0.416 0.000 1.369 34 H CB 1.897 31.137 29.762 -0.869 0.000 1.598 34 H HN 0.491 nan 8.280 nan 0.000 0.518 35 D N 3.240 123.359 120.400 -0.468 0.000 2.371 35 D HA -0.018 4.621 4.640 -0.000 0.000 0.256 35 D C 1.398 177.455 176.300 -0.404 0.000 1.193 35 D CA -0.107 53.457 54.000 -0.726 0.000 0.881 35 D CB 1.437 41.993 40.800 -0.406 0.000 1.143 35 D HN 0.410 nan 8.370 nan 0.000 0.473 36 V N 2.046 121.673 119.914 -0.479 0.000 3.444 36 V HA -0.069 4.051 4.120 -0.000 0.000 0.271 36 V C 1.500 177.406 176.094 -0.314 0.000 1.188 36 V CA 1.223 63.256 62.300 -0.446 0.000 1.168 36 V CB -0.915 30.355 31.823 -0.923 0.000 0.810 36 V HN 0.504 nan 8.190 nan 0.000 0.500 37 S N 0.731 116.292 115.700 -0.233 0.000 2.650 37 S HA 0.062 4.532 4.470 -0.000 0.000 0.219 37 S C 1.118 175.657 174.600 -0.102 0.000 0.960 37 S CA 0.438 58.553 58.200 -0.142 0.000 0.925 37 S CB -0.444 62.695 63.200 -0.102 0.000 0.775 37 S HN 0.972 nan 8.310 nan 0.000 0.525 38 Q N -0.723 119.013 119.800 -0.105 0.000 1.956 38 Q HA 0.574 4.914 4.340 -0.000 0.000 0.217 38 Q C -0.311 175.666 176.000 -0.038 0.000 0.835 38 Q CA -0.375 55.393 55.803 -0.059 0.000 0.974 38 Q CB 0.116 28.829 28.738 -0.042 0.000 1.258 38 Q HN 0.377 nan 8.270 nan 0.000 0.406 39 A N 1.373 124.154 122.820 -0.065 0.000 2.380 39 A HA 0.708 5.028 4.320 -0.000 0.000 0.315 39 A C -0.814 176.732 177.584 -0.064 0.000 1.101 39 A CA -0.647 51.375 52.037 -0.026 0.000 0.771 39 A CB 1.308 20.317 19.000 0.015 0.000 1.287 39 A HN 0.403 nan 8.150 nan 0.000 0.436 40 E N 0.614 120.788 120.200 -0.044 0.000 2.244 40 E HA 0.492 4.842 4.350 -0.000 0.000 0.266 40 E C 0.181 176.718 176.600 -0.104 0.000 0.914 40 E CA -0.822 55.537 56.400 -0.069 0.000 0.794 40 E CB 1.836 31.508 29.700 -0.048 0.000 1.210 40 E HN 0.316 nan 8.360 nan 0.000 0.414 41 V N 2.971 122.822 119.914 -0.107 0.000 2.380 41 V HA -0.296 3.823 4.120 -0.000 0.000 0.251 41 V C 1.786 177.789 176.094 -0.153 0.000 1.063 41 V CA 2.947 65.173 62.300 -0.123 0.000 1.055 41 V CB -0.696 31.088 31.823 -0.065 0.000 0.657 41 V HN 0.963 nan 8.190 nan 0.000 0.455 42 T N -0.026 114.459 114.554 -0.116 0.000 2.760 42 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 42 T C 1.473 176.106 174.700 -0.112 0.000 1.047 42 T CA 1.752 63.784 62.100 -0.114 0.000 1.139 42 T CB -0.548 68.272 68.868 -0.079 0.000 0.855 42 T HN 0.632 nan 8.240 nan 0.000 0.471 43 D N 1.227 121.577 120.400 -0.085 0.000 2.182 43 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 43 D C 2.013 178.326 176.300 0.022 0.000 0.986 43 D CA 0.686 54.689 54.000 0.005 0.000 0.847 43 D CB -0.406 40.466 40.800 0.121 0.000 0.942 43 D HN 0.382 nan 8.370 nan 0.000 0.467 44 L N 0.521 121.598 121.223 -0.243 0.000 2.191 44 L HA -0.160 4.179 4.340 -0.000 0.000 0.212 44 L C 1.765 178.561 176.870 -0.124 0.000 1.103 44 L CA 0.926 55.609 54.840 -0.262 0.000 0.769 44 L CB -0.584 41.254 42.059 -0.367 0.000 0.908 44 L HN -0.013 nan 8.230 nan 0.000 0.438 45 N N -0.104 118.489 118.700 -0.178 0.000 2.289 45 N HA -0.176 4.564 4.740 -0.000 0.000 0.184 45 N C 0.945 176.369 175.510 -0.144 0.000 1.016 45 N CA 1.041 53.986 53.050 -0.176 0.000 0.872 45 N CB -0.108 38.277 38.487 -0.170 0.000 0.973 45 N HN 0.290 nan 8.380 nan 0.000 0.433 46 D N -0.660 119.651 120.400 -0.148 0.000 2.378 46 D HA -0.032 4.608 4.640 -0.000 0.000 0.227 46 D C -0.604 175.307 176.300 -0.649 0.000 1.012 46 D CA 0.870 54.645 54.000 -0.375 0.000 0.905 46 D CB 0.030 40.560 40.800 -0.449 0.000 0.895 46 D HN 0.350 nan 8.370 nan 0.000 0.532 47 Y N -0.567 119.726 120.300 -0.011 0.000 2.504 47 Y HA 0.253 4.803 4.550 -0.000 0.000 0.344 47 Y C 0.921 176.759 175.900 -0.103 0.000 1.023 47 Y CA -0.905 57.193 58.100 -0.004 0.000 1.020 47 Y CB 1.519 40.038 38.460 0.100 0.000 1.282 47 Y HN -0.365 nan 8.280 nan 0.000 0.454 48 Q N 1.296 121.063 119.800 -0.055 0.000 2.282 48 Q HA 0.192 4.532 4.340 -0.000 0.000 0.206 48 Q C -1.196 174.347 176.000 -0.761 0.000 0.878 48 Q CA 0.299 55.876 55.803 -0.376 0.000 0.944 48 Q CB 0.689 29.132 28.738 -0.492 0.000 1.100 48 Q HN 0.671 nan 8.270 nan 0.000 0.509 49 Y N 0.040 120.279 120.300 -0.101 0.000 2.354 49 Y HA 0.501 5.051 4.550 -0.000 0.000 0.330 49 Y C -0.448 175.338 175.900 -0.189 0.000 1.011 49 Y CA -0.636 57.249 58.100 -0.359 0.000 1.099 49 Y CB 1.426 39.367 38.460 -0.866 0.000 1.179 49 Y HN -0.189 nan 8.280 nan 0.000 0.442 50 L N 4.745 125.997 121.223 0.049 0.000 2.362 50 L HA 0.700 5.040 4.340 -0.000 0.000 0.271 50 L C -0.846 176.120 176.870 0.160 0.000 1.002 50 L CA -0.797 54.116 54.840 0.123 0.000 0.818 50 L CB 2.462 44.612 42.059 0.151 0.000 1.298 50 L HN 0.549 nan 8.230 nan 0.000 0.420 51 I N 3.665 124.357 120.570 0.204 0.000 2.436 51 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 51 I C -0.901 175.394 176.117 0.296 0.000 1.010 51 I CA -0.587 60.877 61.300 0.272 0.000 1.098 51 I CB 2.163 40.387 38.000 0.373 0.000 1.266 51 I HN 0.291 nan 8.210 nan 0.000 0.434 52 I N 5.118 125.750 120.570 0.103 0.000 2.362 52 I HA 0.475 4.645 4.170 -0.000 0.000 0.289 52 I C 0.507 176.512 176.117 -0.187 0.000 0.994 52 I CA -0.418 60.904 61.300 0.037 0.000 1.158 52 I CB 1.222 39.061 38.000 -0.268 0.000 1.315 52 I HN 0.601 nan 8.210 nan 0.000 0.451 53 G N 4.493 113.164 108.800 -0.216 0.000 2.470 53 G HA2 0.568 4.527 3.960 -0.000 0.000 0.320 53 G HA3 0.568 4.527 3.960 -0.000 0.000 0.320 53 G C -1.368 173.313 174.900 -0.366 0.000 1.245 53 G CA -0.411 44.075 45.100 -1.023 0.000 0.935 53 G HN 0.670 nan 8.290 nan 0.000 0.476 54 C N 5.059 124.076 119.300 -0.472 0.000 2.947 54 C HA 0.656 5.115 4.460 -0.000 0.000 0.401 54 C C -2.606 172.247 174.990 -0.229 0.000 1.019 54 C CA -1.163 57.720 59.018 -0.225 0.000 1.230 54 C CB 1.721 29.195 27.740 -0.443 0.000 1.644 54 C HN 0.641 nan 8.230 nan 0.000 0.523 55 P HA 0.422 nan 4.420 nan 0.000 0.279 55 P C -0.755 176.453 177.300 -0.154 0.000 1.276 55 P CA 0.099 63.114 63.100 -0.141 0.000 0.801 55 P CB 0.899 32.557 31.700 -0.069 0.000 1.127 56 T N 0.604 115.050 114.554 -0.180 0.000 2.794 56 T HA 0.404 4.754 4.350 -0.000 0.000 0.280 56 T C -0.066 174.523 174.700 -0.185 0.000 0.987 56 T CA -0.480 61.510 62.100 -0.184 0.000 0.993 56 T CB 0.596 69.341 68.868 -0.206 0.000 0.939 56 T HN 0.409 nan 8.240 nan 0.000 0.449 57 E N 1.943 122.047 120.200 -0.160 0.000 2.359 57 E HA 0.518 4.868 4.350 -0.000 0.000 0.266 57 E C -0.578 175.926 176.600 -0.160 0.000 0.920 57 E CA -1.350 54.948 56.400 -0.171 0.000 0.788 57 E CB 0.846 30.486 29.700 -0.100 0.000 1.279 57 E HN 0.348 nan 8.360 nan 0.000 0.438 58 N N 0.988 119.589 118.700 -0.165 0.000 2.740 58 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 58 N C -0.543 174.930 175.510 -0.061 0.000 1.062 58 N CA 1.286 54.285 53.050 -0.084 0.000 0.704 58 N CB -1.488 36.972 38.487 -0.045 0.000 0.968 58 N HN 0.804 nan 8.380 nan 0.000 0.547 59 I N -2.393 118.113 120.570 -0.108 0.000 7.179 59 I HA -0.276 3.894 4.170 -0.000 0.000 0.126 59 I C 1.164 177.277 176.117 -0.007 0.000 1.827 59 I CA 0.998 62.308 61.300 0.017 0.000 2.067 59 I CB -1.753 36.324 38.000 0.128 0.000 3.592 59 I HN 0.576 nan 8.210 nan 0.000 0.178 60 G N 1.809 110.576 108.800 -0.054 0.000 2.176 60 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.232 60 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.232 60 G C 0.021 174.869 174.900 -0.087 0.000 0.986 60 G CA 0.170 45.238 45.100 -0.053 0.000 0.643 60 G HN 0.637 nan 8.290 nan 0.000 0.522 61 E N 0.212 120.356 120.200 -0.094 0.000 2.301 61 E HA 0.528 4.878 4.350 -0.000 0.000 0.275 61 E C 0.887 177.413 176.600 -0.123 0.000 1.030 61 E CA -0.701 55.638 56.400 -0.100 0.000 0.852 61 E CB 1.113 30.770 29.700 -0.071 0.000 1.060 61 E HN 0.346 nan 8.360 nan 0.000 0.401 62 L N 2.434 123.572 121.223 -0.142 0.000 2.506 62 L HA -0.062 4.278 4.340 -0.000 0.000 0.281 62 L C 1.070 177.916 176.870 -0.041 0.000 1.228 62 L CA 0.177 54.943 54.840 -0.122 0.000 0.850 62 L CB -0.023 41.954 42.059 -0.137 0.000 1.110 62 L HN 0.468 nan 8.230 nan 0.000 0.496 63 Q N 1.607 121.411 119.800 0.007 0.000 2.349 63 Q HA -0.054 4.285 4.340 -0.000 0.000 0.287 63 Q C 1.187 177.241 176.000 0.089 0.000 1.044 63 Q CA 0.607 56.445 55.803 0.058 0.000 0.918 63 Q CB 1.111 29.923 28.738 0.123 0.000 1.242 63 Q HN 0.880 nan 8.270 nan 0.000 0.405 64 S N 4.118 119.847 115.700 0.048 0.000 2.389 64 S HA -0.251 4.218 4.470 -0.000 0.000 0.229 64 S C 1.028 175.657 174.600 0.048 0.000 1.048 64 S CA 2.014 60.237 58.200 0.037 0.000 1.117 64 S CB -0.326 62.885 63.200 0.017 0.000 1.020 64 S HN 0.762 nan 8.310 nan 0.000 0.430 65 D N -0.081 120.333 120.400 0.023 0.000 2.219 65 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 65 D C 1.551 177.820 176.300 -0.051 0.000 0.970 65 D CA 0.766 54.737 54.000 -0.047 0.000 0.851 65 D CB -0.361 40.363 40.800 -0.127 0.000 0.943 65 D HN 0.612 nan 8.370 nan 0.000 0.488 66 W N 1.996 123.293 121.300 -0.005 0.000 2.402 66 W HA -0.081 4.579 4.660 -0.001 0.000 0.286 66 W C 2.477 179.017 176.519 0.035 0.000 1.221 66 W CA 0.495 57.846 57.345 0.010 0.000 1.257 66 W CB 0.180 29.631 29.460 -0.015 0.000 1.120 66 W HN 0.003 nan 8.180 nan 0.000 0.551 67 E N -0.039 120.313 120.200 0.252 0.000 2.072 67 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 67 E C 2.392 179.105 176.600 0.189 0.000 0.985 67 E CA 1.452 57.956 56.400 0.172 0.000 0.801 67 E CB -0.623 29.121 29.700 0.073 0.000 0.750 67 E HN 0.252 nan 8.360 nan 0.000 0.452 68 G N 1.675 110.545 108.800 0.117 0.000 2.491 68 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 68 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 68 G C 1.478 176.438 174.900 0.099 0.000 1.180 68 G CA 0.896 46.042 45.100 0.078 0.000 0.774 68 G HN 0.296 nan 8.290 nan 0.000 0.562 69 L N -0.490 120.792 121.223 0.099 0.000 2.362 69 L HA 0.118 4.458 4.340 -0.000 0.000 0.219 69 L C 2.327 179.339 176.870 0.236 0.000 1.134 69 L CA 0.837 55.734 54.840 0.095 0.000 0.807 69 L CB -0.756 41.259 42.059 -0.073 0.000 0.927 69 L HN 0.403 nan 8.230 nan 0.000 0.447 70 Y N -0.060 120.357 120.300 0.194 0.000 2.181 70 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 70 Y C 2.709 178.669 175.900 0.100 0.000 1.146 70 Y CA 1.695 59.898 58.100 0.171 0.000 1.164 70 Y CB -0.421 38.116 38.460 0.129 0.000 0.982 70 Y HN 0.374 nan 8.280 nan 0.000 0.515 71 S N -0.207 115.537 115.700 0.074 0.000 2.399 71 S HA -0.203 4.266 4.470 -0.000 0.000 0.231 71 S C 1.415 175.975 174.600 -0.066 0.000 1.022 71 S CA 1.508 59.691 58.200 -0.029 0.000 0.983 71 S CB -0.533 62.698 63.200 0.052 0.000 0.803 71 S HN 0.705 nan 8.310 nan 0.000 0.480 72 E N 0.993 121.179 120.200 -0.023 0.000 2.489 72 E HA 0.230 4.579 4.350 -0.000 0.000 0.193 72 E C 1.367 177.955 176.600 -0.019 0.000 1.057 72 E CA -0.040 56.347 56.400 -0.021 0.000 0.866 72 E CB -0.268 29.426 29.700 -0.009 0.000 0.916 72 E HN 0.494 nan 8.360 nan 0.000 0.500 73 L N 1.140 122.343 121.223 -0.034 0.000 2.376 73 L HA -0.105 4.235 4.340 -0.000 0.000 0.219 73 L C 1.464 178.346 176.870 0.020 0.000 1.133 73 L CA 0.561 55.420 54.840 0.032 0.000 0.816 73 L CB -0.057 42.012 42.059 0.016 0.000 0.933 73 L HN 0.000 nan 8.230 nan 0.000 0.449 74 D N 0.112 120.482 120.400 -0.050 0.000 2.350 74 D HA -0.141 4.498 4.640 -0.000 0.000 0.216 74 D C 1.221 177.512 176.300 -0.016 0.000 0.968 74 D CA 0.945 54.925 54.000 -0.034 0.000 0.894 74 D CB 0.039 40.806 40.800 -0.055 0.000 0.909 74 D HN 0.333 nan 8.370 nan 0.000 0.520 75 D N -0.339 120.048 120.400 -0.021 0.000 2.360 75 D HA 0.034 4.674 4.640 -0.000 0.000 0.210 75 D C 0.490 176.757 176.300 -0.055 0.000 1.047 75 D CA 0.046 54.025 54.000 -0.034 0.000 0.854 75 D CB 1.217 41.994 40.800 -0.038 0.000 0.936 75 D HN 0.026 nan 8.370 nan 0.000 0.514 76 V N 0.158 120.039 119.914 -0.055 0.000 2.919 76 V HA 0.376 4.496 4.120 -0.000 0.000 0.316 76 V C -1.420 174.590 176.094 -0.140 0.000 1.077 76 V CA -0.799 61.407 62.300 -0.155 0.000 0.977 76 V CB 2.917 34.577 31.823 -0.272 0.000 1.039 76 V HN -0.166 nan 8.190 nan 0.000 0.441 77 D N 2.778 123.033 120.400 -0.243 0.000 2.375 77 D HA 0.353 4.992 4.640 -0.000 0.000 0.247 77 D C -0.466 175.656 176.300 -0.296 0.000 1.061 77 D CA -0.190 53.728 54.000 -0.138 0.000 0.834 77 D CB 1.771 42.521 40.800 -0.083 0.000 1.247 77 D HN 0.451 nan 8.370 nan 0.000 0.489 78 F N 1.366 121.300 119.950 -0.027 0.000 2.653 78 F HA 0.217 4.743 4.527 -0.000 0.000 0.304 78 F C 0.667 176.453 175.800 -0.024 0.000 1.092 78 F CA -0.639 57.345 58.000 -0.026 0.000 1.279 78 F CB 0.067 39.062 39.000 -0.008 0.000 1.044 78 F HN 0.126 nan 8.300 nan 0.000 0.564 79 N N 0.623 119.384 118.700 0.103 0.000 2.357 79 N HA 0.276 5.016 4.740 -0.000 0.000 0.257 79 N C 1.262 176.791 175.510 0.031 0.000 1.250 79 N CA 1.561 54.650 53.050 0.065 0.000 0.862 79 N CB 0.357 38.864 38.487 0.034 0.000 1.066 79 N HN 0.389 nan 8.380 nan 0.000 0.468 80 G N 0.988 109.811 108.800 0.037 0.000 2.245 80 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.264 80 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.264 80 G C -0.025 174.863 174.900 -0.021 0.000 0.985 80 G CA 0.217 45.322 45.100 0.008 0.000 0.625 80 G HN 0.545 nan 8.290 nan 0.000 0.536 81 K N 0.023 120.425 120.400 0.003 0.000 2.218 81 K HA 0.588 4.907 4.320 -0.000 0.000 0.276 81 K C -0.252 176.368 176.600 0.034 0.000 1.022 81 K CA -0.728 55.536 56.287 -0.039 0.000 0.946 81 K CB 1.098 33.624 32.500 0.044 0.000 1.000 81 K HN 0.041 nan 8.250 nan 0.000 0.468 82 L N 2.589 123.813 121.223 0.001 0.000 2.309 82 L HA 0.399 4.739 4.340 -0.000 0.000 0.282 82 L C -0.582 176.439 176.870 0.251 0.000 1.036 82 L CA -0.485 54.481 54.840 0.210 0.000 0.806 82 L CB 1.663 43.984 42.059 0.437 0.000 1.220 82 L HN 0.305 nan 8.230 nan 0.000 0.429 83 V N 1.937 121.996 119.914 0.241 0.000 2.686 83 V HA 0.905 5.025 4.120 -0.000 0.000 0.306 83 V C -0.241 175.860 176.094 0.012 0.000 1.065 83 V CA -0.760 61.590 62.300 0.083 0.000 0.894 83 V CB 1.570 33.343 31.823 -0.083 0.000 1.004 83 V HN 0.878 nan 8.190 nan 0.000 0.424 84 A N 3.751 126.536 122.820 -0.058 0.000 2.384 84 A HA 0.989 5.309 4.320 -0.000 0.000 0.312 84 A C -1.804 175.706 177.584 -0.122 0.000 1.113 84 A CA -0.552 51.514 52.037 0.048 0.000 0.779 84 A CB 1.563 20.619 19.000 0.093 0.000 1.307 84 A HN 0.734 nan 8.150 nan 0.000 0.436 85 Y N -0.221 120.314 120.300 0.392 0.000 2.477 85 Y HA 0.634 5.184 4.550 -0.001 0.000 0.347 85 Y C -0.464 175.509 175.900 0.123 0.000 0.981 85 Y CA -0.721 57.480 58.100 0.167 0.000 1.033 85 Y CB 2.058 40.491 38.460 -0.045 0.000 1.245 85 Y HN 0.760 nan 8.280 nan 0.000 0.455 86 F N -0.474 119.460 119.950 -0.027 0.000 2.613 86 F HA 1.035 5.561 4.527 -0.001 0.000 0.310 86 F C -0.561 175.083 175.800 -0.260 0.000 1.085 86 F CA -1.348 56.435 58.000 -0.362 0.000 0.945 86 F CB 1.800 40.475 39.000 -0.543 0.000 1.298 86 F HN 0.620 nan 8.300 nan 0.000 0.455 87 G N 0.098 108.711 108.800 -0.311 0.000 2.690 87 G HA2 0.579 4.539 3.960 -0.000 0.000 0.293 87 G HA3 0.579 4.539 3.960 -0.000 0.000 0.293 87 G C -1.612 173.162 174.900 -0.210 0.000 1.399 87 G CA -0.621 44.270 45.100 -0.347 0.000 0.890 87 G HN 1.013 nan 8.290 nan 0.000 0.485 88 T N -1.945 112.522 114.554 -0.145 0.000 2.895 88 T HA 0.873 5.223 4.350 -0.000 0.000 0.283 88 T C 0.295 174.926 174.700 -0.115 0.000 1.014 88 T CA -0.093 61.959 62.100 -0.080 0.000 1.037 88 T CB 2.029 70.899 68.868 0.003 0.000 1.006 88 T HN 1.783 nan 8.240 nan 0.000 0.468 89 G N 0.395 109.188 108.800 -0.012 0.000 2.576 89 G HA2 0.477 4.437 3.960 -0.000 0.000 0.290 89 G HA3 0.477 4.437 3.960 -0.000 0.000 0.290 89 G C -2.118 172.984 174.900 0.336 0.000 1.442 89 G CA -0.751 44.391 45.100 0.070 0.000 0.792 89 G HN 0.748 nan 8.290 nan 0.000 0.491 90 D N 0.164 120.793 120.400 0.382 0.000 2.464 90 D HA 0.198 4.838 4.640 -0.000 0.000 0.243 90 D C 1.407 177.880 176.300 0.288 0.000 1.104 90 D CA -0.550 53.645 54.000 0.325 0.000 0.883 90 D CB 1.436 42.440 40.800 0.339 0.000 1.050 90 D HN 0.508 nan 8.370 nan 0.000 0.524 91 Q N 3.069 122.827 119.800 -0.071 0.000 2.369 91 Q HA -0.072 4.268 4.340 -0.000 0.000 0.206 91 Q C 0.706 176.637 176.000 -0.116 0.000 0.963 91 Q CA 0.561 56.074 55.803 -0.483 0.000 0.894 91 Q CB 0.362 28.432 28.738 -1.114 0.000 0.965 91 Q HN 0.366 nan 8.270 nan 0.000 0.475 92 I N 1.095 121.644 120.570 -0.034 0.000 2.429 92 I HA 0.035 4.205 4.170 -0.000 0.000 0.247 92 I C 2.320 178.413 176.117 -0.040 0.000 1.099 92 I CA 1.389 62.675 61.300 -0.023 0.000 1.422 92 I CB -1.275 36.715 38.000 -0.016 0.000 1.112 92 I HN 0.347 nan 8.210 nan 0.000 0.430 93 G N -0.917 107.860 108.800 -0.038 0.000 2.650 93 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.214 93 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.214 93 G C 0.380 174.919 174.900 -0.602 0.000 1.136 93 G CA 0.281 45.231 45.100 -0.249 0.000 0.789 93 G HN 0.361 nan 8.290 nan 0.000 0.536 94 Y N -0.356 119.987 120.300 0.072 0.000 2.555 94 Y HA 0.505 5.055 4.550 -0.000 0.000 0.317 94 Y C 1.495 177.478 175.900 0.139 0.000 0.928 94 Y CA -0.752 57.407 58.100 0.098 0.000 1.116 94 Y CB 0.589 39.115 38.460 0.110 0.000 1.169 94 Y HN 0.107 nan 8.280 nan 0.000 0.627 95 A N -0.553 122.356 122.820 0.148 0.000 2.019 95 A HA -0.147 4.172 4.320 -0.000 0.000 0.219 95 A C 1.568 179.302 177.584 0.249 0.000 1.164 95 A CA 1.993 54.135 52.037 0.174 0.000 0.644 95 A CB -0.081 18.966 19.000 0.080 0.000 0.805 95 A HN 0.417 nan 8.150 nan 0.000 0.449 96 D N -0.867 119.654 120.400 0.202 0.000 2.350 96 D HA 0.038 4.677 4.640 -0.000 0.000 0.213 96 D C 0.016 176.445 176.300 0.217 0.000 1.031 96 D CA 0.541 54.655 54.000 0.190 0.000 0.861 96 D CB -0.106 40.767 40.800 0.121 0.000 0.926 96 D HN 0.570 nan 8.370 nan 0.000 0.520 97 N N -0.351 118.503 118.700 0.257 0.000 2.466 97 N HA 0.077 4.816 4.740 -0.000 0.000 0.272 97 N C -0.758 174.859 175.510 0.179 0.000 1.455 97 N CA -0.390 52.773 53.050 0.187 0.000 0.875 97 N CB 0.613 39.184 38.487 0.141 0.000 1.372 97 N HN -0.077 nan 8.380 nan 0.000 0.492 98 F N 2.615 122.606 119.950 0.068 0.000 2.471 98 F HA 0.138 4.665 4.527 -0.000 0.000 0.365 98 F C 0.665 176.336 175.800 -0.216 0.000 1.095 98 F CA 0.134 58.105 58.000 -0.049 0.000 1.174 98 F CB 0.362 39.343 39.000 -0.032 0.000 1.105 98 F HN 0.163 nan 8.300 nan 0.000 0.535 99 Q N 3.305 122.682 119.800 -0.705 0.000 2.503 99 Q HA -0.279 4.061 4.340 -0.000 0.000 0.267 99 Q C 0.814 176.548 176.000 -0.444 0.000 1.030 99 Q CA 1.121 56.457 55.803 -0.778 0.000 1.041 99 Q CB -1.843 26.136 28.738 -1.264 0.000 1.406 99 Q HN 0.792 nan 8.270 nan 0.000 0.524 100 D N 0.103 120.341 120.400 -0.270 0.000 2.123 100 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 100 D C 1.776 177.934 176.300 -0.236 0.000 0.992 100 D CA 1.777 55.664 54.000 -0.189 0.000 0.833 100 D CB -0.092 40.637 40.800 -0.117 0.000 0.954 100 D HN 0.533 nan 8.370 nan 0.000 0.455 101 A N 1.103 123.765 122.820 -0.264 0.000 1.883 101 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 101 A C 2.360 179.747 177.584 -0.329 0.000 1.186 101 A CA 1.889 53.755 52.037 -0.285 0.000 0.624 101 A CB -1.002 17.837 19.000 -0.268 0.000 0.822 101 A HN 0.462 nan 8.150 nan 0.000 0.444 102 I N -2.292 118.067 120.570 -0.351 0.000 2.361 102 I HA -0.030 4.140 4.170 -0.000 0.000 0.251 102 I C 2.211 178.106 176.117 -0.370 0.000 1.133 102 I CA 1.499 62.592 61.300 -0.345 0.000 1.413 102 I CB -0.997 36.815 38.000 -0.313 0.000 1.073 102 I HN 0.152 nan 8.210 nan 0.000 0.424 103 G N 2.006 110.625 108.800 -0.302 0.000 2.418 103 G HA2 -0.132 3.827 3.960 -0.000 0.000 0.217 103 G HA3 -0.132 3.827 3.960 -0.000 0.000 0.217 103 G C 1.653 176.417 174.900 -0.226 0.000 1.158 103 G CA 1.132 46.088 45.100 -0.240 0.000 0.771 103 G HN 0.470 nan 8.290 nan 0.000 0.545 104 I N 0.407 120.846 120.570 -0.219 0.000 2.113 104 I HA -0.134 4.036 4.170 -0.000 0.000 0.238 104 I C 2.607 178.636 176.117 -0.147 0.000 1.070 104 I CA 0.503 61.690 61.300 -0.190 0.000 1.332 104 I CB -0.252 37.584 38.000 -0.274 0.000 1.044 104 I HN 0.037 nan 8.210 nan 0.000 0.402 105 L N 0.502 121.594 121.223 -0.217 0.000 2.013 105 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 105 L C 2.614 179.406 176.870 -0.131 0.000 1.073 105 L CA 1.898 56.653 54.840 -0.143 0.000 0.753 105 L CB -1.597 40.283 42.059 -0.299 0.000 0.890 105 L HN 0.427 nan 8.230 nan 0.000 0.432 106 E N 0.338 120.305 120.200 -0.388 0.000 2.077 106 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 106 E C 2.010 178.478 176.600 -0.221 0.000 0.989 106 E CA 1.422 57.490 56.400 -0.553 0.000 0.800 106 E CB 0.107 29.167 29.700 -1.067 0.000 0.746 106 E HN 0.567 nan 8.360 nan 0.000 0.452 107 E N 0.788 120.892 120.200 -0.160 0.000 2.049 107 E HA -0.274 4.076 4.350 -0.000 0.000 0.198 107 E C 2.231 178.812 176.600 -0.031 0.000 1.007 107 E CA 2.033 58.393 56.400 -0.066 0.000 0.809 107 E CB -0.136 29.541 29.700 -0.039 0.000 0.749 107 E HN 0.117 nan 8.360 nan 0.000 0.450 108 K N 0.295 120.700 120.400 0.008 0.000 2.026 108 K HA -0.150 4.169 4.320 -0.000 0.000 0.208 108 K C 2.159 178.704 176.600 -0.091 0.000 1.048 108 K CA 1.796 58.076 56.287 -0.011 0.000 0.929 108 K CB -0.226 32.289 32.500 0.025 0.000 0.713 108 K HN 0.194 nan 8.250 nan 0.000 0.439 109 I N 1.368 121.845 120.570 -0.154 0.000 2.315 109 I HA -0.260 3.909 4.170 -0.000 0.000 0.248 109 I C 2.383 178.353 176.117 -0.245 0.000 1.117 109 I CA 1.399 62.472 61.300 -0.378 0.000 1.404 109 I CB -0.277 37.451 38.000 -0.453 0.000 1.071 109 I HN 0.350 nan 8.210 nan 0.000 0.419 110 S N 0.102 115.742 115.700 -0.100 0.000 2.402 110 S HA -0.260 4.210 4.470 -0.000 0.000 0.229 110 S C 1.978 176.573 174.600 -0.009 0.000 1.021 110 S CA 0.929 59.112 58.200 -0.028 0.000 0.974 110 S CB -0.546 62.655 63.200 0.001 0.000 0.800 110 S HN 0.513 nan 8.310 nan 0.000 0.484 111 Q N 1.246 121.034 119.800 -0.019 0.000 2.096 111 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 111 Q C 1.553 177.567 176.000 0.024 0.000 0.982 111 Q CA 1.114 56.919 55.803 0.002 0.000 0.850 111 Q CB -0.080 28.654 28.738 -0.007 0.000 0.901 111 Q HN 0.432 nan 8.270 nan 0.000 0.422 112 R N -1.104 119.413 120.500 0.029 0.000 2.335 112 R HA 0.061 4.400 4.340 -0.000 0.000 0.223 112 R C 0.958 177.380 176.300 0.202 0.000 0.940 112 R CA 0.760 56.941 56.100 0.135 0.000 1.086 112 R CB 0.535 30.995 30.300 0.266 0.000 1.073 112 R HN 0.558 nan 8.270 nan 0.000 0.504 113 G N -0.309 108.563 108.800 0.119 0.000 2.218 113 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 113 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 113 G C 0.497 175.479 174.900 0.137 0.000 0.994 113 G CA -0.265 44.912 45.100 0.129 0.000 0.637 113 G HN 0.505 nan 8.290 nan 0.000 0.505 114 G N 0.717 109.583 108.800 0.109 0.000 2.354 114 G HA2 0.446 4.406 3.960 -0.000 0.000 0.266 114 G HA3 0.446 4.406 3.960 -0.000 0.000 0.266 114 G C 0.116 175.065 174.900 0.081 0.000 1.242 114 G CA 0.514 45.663 45.100 0.080 0.000 0.923 114 G HN 0.578 nan 8.290 nan 0.000 0.476 115 K N 2.613 123.081 120.400 0.113 0.000 2.349 115 K HA 0.214 4.534 4.320 -0.000 0.000 0.288 115 K C 0.136 176.828 176.600 0.154 0.000 1.058 115 K CA -0.321 56.043 56.287 0.129 0.000 0.953 115 K CB 0.355 32.934 32.500 0.131 0.000 0.997 115 K HN 0.344 nan 8.250 nan 0.000 0.477 116 T N 3.312 117.957 114.554 0.151 0.000 2.851 116 T HA 0.242 4.591 4.350 -0.000 0.000 0.298 116 T C -0.611 174.118 174.700 0.048 0.000 0.977 116 T CA -0.448 61.726 62.100 0.123 0.000 1.126 116 T CB 0.953 69.842 68.868 0.035 0.000 0.916 116 T HN 0.322 nan 8.240 nan 0.000 0.529 117 V N 1.779 121.708 119.914 0.026 0.000 2.925 117 V HA 0.756 4.875 4.120 -0.000 0.000 0.311 117 V C 0.661 176.718 176.094 -0.063 0.000 1.104 117 V CA -0.147 62.147 62.300 -0.010 0.000 0.954 117 V CB 1.927 33.772 31.823 0.037 0.000 1.022 117 V HN 1.112 nan 8.190 nan 0.000 0.427 118 G N 2.510 111.298 108.800 -0.019 0.000 2.164 118 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.212 118 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.212 118 G C -0.314 174.858 174.900 0.454 0.000 1.031 118 G CA -0.284 44.906 45.100 0.150 0.000 0.730 118 G HN 0.627 nan 8.290 nan 0.000 0.501 119 Y N -0.760 119.772 120.300 0.386 0.000 2.788 119 Y HA 0.345 4.895 4.550 -0.001 0.000 0.341 119 Y C 1.017 177.226 175.900 0.515 0.000 1.258 119 Y CA 0.379 58.706 58.100 0.377 0.000 1.503 119 Y CB 0.513 39.105 38.460 0.219 0.000 1.325 119 Y HN 0.346 nan 8.280 nan 0.000 0.614 120 W N 3.517 125.051 121.300 0.390 0.000 2.683 120 W HA 0.347 5.006 4.660 -0.001 0.000 0.329 120 W C -0.455 176.207 176.519 0.239 0.000 1.037 120 W CA -1.063 56.462 57.345 0.301 0.000 1.232 120 W CB 2.000 31.594 29.460 0.223 0.000 1.390 120 W HN 0.498 nan 8.180 nan 0.000 0.465 121 S N 1.672 117.128 115.700 -0.405 0.000 2.563 121 S HA -0.040 4.430 4.470 -0.000 0.000 0.284 121 S C 1.413 175.938 174.600 -0.125 0.000 1.331 121 S CA 1.019 59.058 58.200 -0.269 0.000 1.047 121 S CB 1.040 64.049 63.200 -0.319 0.000 0.859 121 S HN 0.540 nan 8.310 nan 0.000 0.514 122 T N 0.678 115.150 114.554 -0.136 0.000 3.129 122 T HA 0.147 4.496 4.350 -0.000 0.000 0.251 122 T C -0.025 174.850 174.700 0.291 0.000 1.117 122 T CA -0.327 61.727 62.100 -0.077 0.000 1.034 122 T CB -0.303 68.407 68.868 -0.263 0.000 0.968 122 T HN 0.532 nan 8.240 nan 0.000 0.526 123 D N 2.014 122.500 120.400 0.145 0.000 2.455 123 D HA 0.382 5.022 4.640 -0.000 0.000 0.241 123 D C 1.478 177.866 176.300 0.146 0.000 1.138 123 D CA 1.401 55.469 54.000 0.114 0.000 0.877 123 D CB 0.577 41.381 40.800 0.007 0.000 1.187 123 D HN 0.440 nan 8.370 nan 0.000 0.451 124 G N 1.381 110.224 108.800 0.071 0.000 2.157 124 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 124 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 124 G C -0.356 174.415 174.900 -0.216 0.000 0.979 124 G CA -0.109 44.942 45.100 -0.082 0.000 0.650 124 G HN 0.454 nan 8.290 nan 0.000 0.529 125 Y N 0.082 120.514 120.300 0.220 0.000 2.393 125 Y HA 0.578 5.128 4.550 -0.000 0.000 0.341 125 Y C -0.103 175.961 175.900 0.274 0.000 0.988 125 Y CA -1.151 57.115 58.100 0.276 0.000 1.078 125 Y CB 1.983 40.731 38.460 0.480 0.000 1.203 125 Y HN 0.098 nan 8.280 nan 0.000 0.453 126 D N 4.033 124.608 120.400 0.291 0.000 2.460 126 D HA 0.460 5.099 4.640 -0.000 0.000 0.232 126 D C -1.332 175.087 176.300 0.198 0.000 1.079 126 D CA -0.203 53.897 54.000 0.166 0.000 0.864 126 D CB 0.164 40.995 40.800 0.052 0.000 1.048 126 D HN 0.313 nan 8.370 nan 0.000 0.523 127 F N 2.115 122.071 119.950 0.010 0.000 2.713 127 F HA 0.470 4.997 4.527 -0.001 0.000 0.311 127 F C -0.154 175.683 175.800 0.062 0.000 1.141 127 F CA -1.083 56.921 58.000 0.008 0.000 0.939 127 F CB 0.859 39.882 39.000 0.038 0.000 1.325 127 F HN 0.091 nan 8.300 nan 0.000 0.453 128 N N -0.241 118.464 118.700 0.008 0.000 2.511 128 N HA 0.157 4.896 4.740 -0.000 0.000 0.190 128 N C -1.041 174.461 175.510 -0.013 0.000 1.037 128 N CA 0.953 53.942 53.050 -0.101 0.000 0.895 128 N CB 0.359 38.846 38.487 -0.000 0.000 1.149 128 N HN 0.732 nan 8.380 nan 0.000 0.437 129 D N -1.392 119.174 120.400 0.276 0.000 2.596 129 D HA 0.491 5.131 4.640 -0.000 0.000 0.234 129 D C -1.804 174.779 176.300 0.472 0.000 1.181 129 D CA -0.352 53.836 54.000 0.312 0.000 0.856 129 D CB 2.005 42.905 40.800 0.167 0.000 1.498 129 D HN 0.027 nan 8.370 nan 0.000 0.446 130 S N 0.895 116.818 115.700 0.373 0.000 2.563 130 S HA 0.231 4.701 4.470 -0.000 0.000 0.279 130 S C -0.204 174.485 174.600 0.147 0.000 1.155 130 S CA -0.614 57.740 58.200 0.256 0.000 0.928 130 S CB 1.017 64.396 63.200 0.298 0.000 1.107 130 S HN 0.389 nan 8.310 nan 0.000 0.462 131 K N 2.451 122.880 120.400 0.048 0.000 2.555 131 K HA 0.130 4.450 4.320 -0.000 0.000 0.193 131 K C 1.492 178.085 176.600 -0.012 0.000 1.032 131 K CA 0.865 57.156 56.287 0.007 0.000 1.004 131 K CB -0.038 32.437 32.500 -0.042 0.000 0.804 131 K HN 0.577 nan 8.250 nan 0.000 0.496 132 A N 0.496 123.320 122.820 0.007 0.000 2.275 132 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 132 A C 0.304 177.989 177.584 0.168 0.000 1.201 132 A CA -0.142 51.905 52.037 0.017 0.000 0.843 132 A CB 0.128 19.062 19.000 -0.110 0.000 0.873 132 A HN 0.067 nan 8.150 nan 0.000 0.492 133 L N 0.966 122.295 121.223 0.176 0.000 2.499 133 L HA 0.138 4.478 4.340 -0.000 0.000 0.273 133 L C 0.700 177.616 176.870 0.077 0.000 1.195 133 L CA 0.790 55.709 54.840 0.131 0.000 0.882 133 L CB 0.022 42.162 42.059 0.136 0.000 1.133 133 L HN 0.235 nan 8.230 nan 0.000 0.483 134 R N 3.779 124.306 120.500 0.045 0.000 2.617 134 R HA 0.237 4.576 4.340 -0.000 0.000 0.432 134 R C -0.747 175.515 176.300 -0.063 0.000 1.018 134 R CA -0.358 55.745 56.100 0.005 0.000 1.077 134 R CB -0.037 30.287 30.300 0.039 0.000 1.394 134 R HN 0.729 nan 8.270 nan 0.000 0.608 135 N N 0.432 119.103 118.700 -0.048 0.000 3.001 135 N HA -0.124 4.616 4.740 -0.000 0.000 0.261 135 N C 0.611 176.073 175.510 -0.080 0.000 1.115 135 N CA 0.893 53.905 53.050 -0.062 0.000 0.667 135 N CB -1.400 37.045 38.487 -0.070 0.000 1.005 135 N HN 0.573 nan 8.380 nan 0.000 0.573 136 G N -0.384 108.369 108.800 -0.078 0.000 2.184 136 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.264 136 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.264 136 G C 0.012 174.835 174.900 -0.128 0.000 0.975 136 G CA 1.182 46.227 45.100 -0.092 0.000 0.642 136 G HN 0.617 nan 8.290 nan 0.000 0.536 137 K N -0.799 119.525 120.400 -0.127 0.000 2.426 137 K HA 0.668 4.988 4.320 -0.000 0.000 0.251 137 K C -0.808 175.762 176.600 -0.049 0.000 0.941 137 K CA -0.946 55.295 56.287 -0.077 0.000 0.808 137 K CB 1.385 33.877 32.500 -0.013 0.000 1.265 137 K HN -0.026 nan 8.250 nan 0.000 0.432 138 F N 0.558 120.590 119.950 0.137 0.000 2.380 138 F HA 0.145 4.671 4.527 -0.001 0.000 0.321 138 F C 1.552 177.487 175.800 0.223 0.000 1.103 138 F CA -0.590 57.460 58.000 0.084 0.000 1.067 138 F CB 0.919 39.902 39.000 -0.029 0.000 1.265 138 F HN 0.228 nan 8.300 nan 0.000 0.517 139 V N 0.754 120.868 119.914 0.333 0.000 2.626 139 V HA 0.099 4.218 4.120 -0.000 0.000 0.252 139 V C 0.816 176.962 176.094 0.087 0.000 1.067 139 V CA 2.029 64.428 62.300 0.164 0.000 1.081 139 V CB -0.581 31.179 31.823 -0.105 0.000 0.686 139 V HN 0.872 nan 8.190 nan 0.000 0.468 140 G N -1.527 107.361 108.800 0.146 0.000 2.650 140 G HA2 0.429 4.388 3.960 -0.000 0.000 0.310 140 G HA3 0.429 4.388 3.960 -0.000 0.000 0.310 140 G C -1.658 173.154 174.900 -0.147 0.000 1.270 140 G CA -0.489 44.717 45.100 0.177 0.000 0.810 140 G HN 0.062 nan 8.290 nan 0.000 0.493 141 L N 1.392 122.121 121.223 -0.823 0.000 2.418 141 L HA 0.659 4.999 4.340 -0.000 0.000 0.274 141 L C 0.634 177.014 176.870 -0.817 0.000 1.135 141 L CA -0.149 53.879 54.840 -1.352 0.000 0.870 141 L CB 0.438 41.095 42.059 -2.337 0.000 1.154 141 L HN 0.823 nan 8.230 nan 0.000 0.462 142 A N 6.742 129.166 122.820 -0.660 0.000 2.249 142 A HA 0.657 4.976 4.320 -0.000 0.000 0.314 142 A C -1.006 176.489 177.584 -0.148 0.000 1.290 142 A CA -0.646 51.057 52.037 -0.557 0.000 0.893 142 A CB 0.239 18.595 19.000 -1.073 0.000 1.165 142 A HN 0.579 nan 8.150 nan 0.000 0.530 143 L N 2.049 123.193 121.223 -0.131 0.000 2.331 143 L HA 0.602 4.942 4.340 -0.000 0.000 0.275 143 L C -0.483 176.464 176.870 0.128 0.000 1.022 143 L CA -0.250 54.602 54.840 0.019 0.000 0.812 143 L CB 1.609 43.643 42.059 -0.042 0.000 1.257 143 L HN 0.720 nan 8.230 nan 0.000 0.435 144 D N 1.275 121.781 120.400 0.178 0.000 2.358 144 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 144 D C 0.440 176.806 176.300 0.109 0.000 1.288 144 D CA -0.183 53.934 54.000 0.196 0.000 0.950 144 D CB 1.320 42.286 40.800 0.278 0.000 1.197 144 D HN 0.418 nan 8.370 nan 0.000 0.550 145 E N 1.544 121.793 120.200 0.082 0.000 2.427 145 E HA -0.049 4.300 4.350 -0.000 0.000 0.196 145 E C 0.586 177.219 176.600 0.055 0.000 1.028 145 E CA 0.462 56.895 56.400 0.054 0.000 0.864 145 E CB 0.634 30.358 29.700 0.040 0.000 0.813 145 E HN 0.562 nan 8.360 nan 0.000 0.514 146 D N 0.727 121.171 120.400 0.072 0.000 2.137 146 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 146 D C 1.284 177.614 176.300 0.051 0.000 0.970 146 D CA 0.772 54.812 54.000 0.066 0.000 0.837 146 D CB 0.142 40.995 40.800 0.089 0.000 0.981 146 D HN 0.178 nan 8.370 nan 0.000 0.475 147 N N -0.173 118.559 118.700 0.053 0.000 2.257 147 N HA 0.049 4.789 4.740 -0.000 0.000 0.200 147 N C 0.408 175.932 175.510 0.023 0.000 1.163 147 N CA 0.139 53.208 53.050 0.032 0.000 0.891 147 N CB 1.042 39.542 38.487 0.022 0.000 1.067 147 N HN 0.160 nan 8.380 nan 0.000 0.497 148 Q N 0.433 120.254 119.800 0.035 0.000 2.139 148 Q HA 0.180 4.520 4.340 -0.000 0.000 0.301 148 Q C 0.596 176.612 176.000 0.027 0.000 0.874 148 Q CA -0.106 55.711 55.803 0.023 0.000 1.116 148 Q CB 0.769 29.517 28.738 0.017 0.000 1.278 148 Q HN 0.190 nan 8.270 nan 0.000 0.426 149 S N 0.290 116.005 115.700 0.026 0.000 2.442 149 S HA -0.170 4.300 4.470 -0.000 0.000 0.236 149 S C 1.450 176.057 174.600 0.012 0.000 1.007 149 S CA 1.462 59.674 58.200 0.021 0.000 0.965 149 S CB -0.134 63.077 63.200 0.019 0.000 0.773 149 S HN 0.522 nan 8.310 nan 0.000 0.504 150 D N 1.543 121.949 120.400 0.010 0.000 2.348 150 D HA -0.044 4.595 4.640 -0.000 0.000 0.216 150 D C 1.591 177.896 176.300 0.009 0.000 0.970 150 D CA 0.439 54.444 54.000 0.007 0.000 0.889 150 D CB -0.266 40.536 40.800 0.004 0.000 0.912 150 D HN 0.485 nan 8.370 nan 0.000 0.524 151 L N 0.005 121.235 121.223 0.012 0.000 2.590 151 L HA 0.083 4.423 4.340 -0.000 0.000 0.227 151 L C 2.112 178.997 176.870 0.024 0.000 1.099 151 L CA 0.139 54.992 54.840 0.021 0.000 0.872 151 L CB 0.016 42.084 42.059 0.015 0.000 1.088 151 L HN -0.078 nan 8.230 nan 0.000 0.479 152 T N -0.286 114.274 114.554 0.009 0.000 2.674 152 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 152 T C 1.401 176.086 174.700 -0.026 0.000 1.039 152 T CA 1.613 63.705 62.100 -0.013 0.000 1.150 152 T CB -0.120 68.737 68.868 -0.018 0.000 0.864 152 T HN 0.305 nan 8.240 nan 0.000 0.427 153 D N 1.286 121.676 120.400 -0.015 0.000 2.092 153 D HA -0.117 4.523 4.640 -0.000 0.000 0.193 153 D C 1.954 178.251 176.300 -0.004 0.000 0.994 153 D CA 1.186 55.176 54.000 -0.018 0.000 0.828 153 D CB -0.420 40.373 40.800 -0.012 0.000 0.963 153 D HN 0.297 nan 8.370 nan 0.000 0.450 154 D N 0.436 120.847 120.400 0.019 0.000 2.123 154 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 154 D C 2.219 178.567 176.300 0.081 0.000 0.992 154 D CA 0.655 54.684 54.000 0.048 0.000 0.833 154 D CB -0.140 40.697 40.800 0.061 0.000 0.954 154 D HN 0.207 nan 8.370 nan 0.000 0.455 155 R N 0.141 120.683 120.500 0.071 0.000 2.081 155 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 155 R C 2.555 178.819 176.300 -0.060 0.000 1.131 155 R CA 0.643 56.785 56.100 0.071 0.000 0.960 155 R CB -0.352 29.955 30.300 0.012 0.000 0.856 155 R HN 0.284 nan 8.270 nan 0.000 0.436 156 I N 0.972 121.495 120.570 -0.078 0.000 2.179 156 I HA -0.288 3.881 4.170 -0.000 0.000 0.242 156 I C 2.685 178.798 176.117 -0.006 0.000 1.088 156 I CA 1.273 62.533 61.300 -0.065 0.000 1.357 156 I CB -0.300 37.642 38.000 -0.097 0.000 1.051 156 I HN 0.148 nan 8.210 nan 0.000 0.409 157 K N 0.630 121.025 120.400 -0.009 0.000 2.020 157 K HA -0.254 4.066 4.320 -0.000 0.000 0.212 157 K C 2.393 179.005 176.600 0.020 0.000 1.050 157 K CA 2.109 58.387 56.287 -0.015 0.000 0.929 157 K CB -0.190 32.310 32.500 0.000 0.000 0.714 157 K HN 0.139 nan 8.250 nan 0.000 0.443 158 S N -0.244 115.521 115.700 0.108 0.000 2.353 158 S HA -0.198 4.271 4.470 -0.000 0.000 0.222 158 S C 1.683 176.443 174.600 0.266 0.000 1.035 158 S CA 1.492 59.816 58.200 0.207 0.000 1.025 158 S CB -0.501 62.915 63.200 0.360 0.000 0.902 158 S HN 0.596 nan 8.310 nan 0.000 0.440 159 W N 1.854 123.158 121.300 0.006 0.000 2.355 159 W HA -0.073 4.587 4.660 -0.001 0.000 0.309 159 W C 2.132 178.574 176.519 -0.127 0.000 1.206 159 W CA 1.381 58.691 57.345 -0.060 0.000 1.284 159 W CB -0.858 28.379 29.460 -0.372 0.000 1.145 159 W HN 0.124 nan 8.180 nan 0.000 0.502 160 V N 1.210 121.042 119.914 -0.136 0.000 2.407 160 V HA -0.301 3.818 4.120 -0.000 0.000 0.248 160 V C 2.462 178.258 176.094 -0.496 0.000 1.055 160 V CA 2.141 64.118 62.300 -0.539 0.000 1.049 160 V CB -1.725 29.723 31.823 -0.625 0.000 0.662 160 V HN 0.297 nan 8.190 nan 0.000 0.455 161 A N -0.592 122.073 122.820 -0.258 0.000 1.933 161 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 161 A C 2.274 179.765 177.584 -0.155 0.000 1.175 161 A CA 1.961 53.890 52.037 -0.181 0.000 0.628 161 A CB -0.507 18.443 19.000 -0.084 0.000 0.814 161 A HN 0.633 nan 8.150 nan 0.000 0.444 162 Q N -0.220 119.505 119.800 -0.125 0.000 2.084 162 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 162 Q C 1.920 177.750 176.000 -0.283 0.000 0.978 162 Q CA 1.492 57.225 55.803 -0.118 0.000 0.844 162 Q CB -0.240 28.514 28.738 0.026 0.000 0.898 162 Q HN 0.664 nan 8.270 nan 0.000 0.426 163 L N 0.351 121.267 121.223 -0.512 0.000 2.093 163 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 163 L C 2.553 179.155 176.870 -0.447 0.000 1.085 163 L CA 1.157 55.569 54.840 -0.713 0.000 0.755 163 L CB -0.354 41.176 42.059 -0.881 0.000 0.904 163 L HN 0.196 nan 8.230 nan 0.000 0.435 164 K N -0.186 120.062 120.400 -0.254 0.000 2.063 164 K HA -0.151 4.168 4.320 -0.000 0.000 0.208 164 K C 2.286 178.874 176.600 -0.019 0.000 1.048 164 K CA 1.783 58.044 56.287 -0.044 0.000 0.928 164 K CB -0.095 32.343 32.500 -0.104 0.000 0.713 164 K HN 0.225 nan 8.250 nan 0.000 0.442 165 S N 1.291 116.947 115.700 -0.072 0.000 2.345 165 S HA -0.116 4.353 4.470 -0.000 0.000 0.220 165 S C 1.329 175.923 174.600 -0.010 0.000 1.031 165 S CA 1.118 59.301 58.200 -0.028 0.000 0.996 165 S CB -0.177 63.005 63.200 -0.030 0.000 0.882 165 S HN 0.330 nan 8.310 nan 0.000 0.445 166 E N -0.125 120.025 120.200 -0.083 0.000 2.461 166 E HA 0.040 4.389 4.350 -0.000 0.000 0.196 166 E C -0.040 176.595 176.600 0.059 0.000 1.129 166 E CA 0.187 56.555 56.400 -0.054 0.000 0.902 166 E CB -0.000 29.614 29.700 -0.143 0.000 0.963 166 E HN 0.372 nan 8.360 nan 0.000 0.503 167 F N -1.155 118.781 119.950 -0.022 0.000 2.834 167 F HA 0.272 4.799 4.527 -0.000 0.000 0.332 167 F C 1.556 177.264 175.800 -0.154 0.000 1.056 167 F CA 0.344 58.279 58.000 -0.108 0.000 1.178 167 F CB 0.923 39.782 39.000 -0.236 0.000 1.037 167 F HN 0.053 nan 8.300 nan 0.000 0.580 168 G N 1.538 110.407 108.800 0.114 0.000 2.132 168 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.234 168 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.234 168 G C 0.341 175.251 174.900 0.016 0.000 0.989 168 G CA 0.291 45.423 45.100 0.054 0.000 0.676 168 G HN 0.235 nan 8.290 nan 0.000 0.522 169 L N 0.000 121.244 121.223 0.034 0.000 2.949 169 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 169 L CA 0.000 54.859 54.840 0.031 0.000 0.813 169 L CB 0.000 42.122 42.059 0.105 0.000 0.961 169 L HN 0.000 nan 8.230 nan 0.000 0.502