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 1pb0_1_C DATA FIRST_RESID 1 DATA SEQUENCE MYPVDLHMHT VASTHAYSTL SDYIAQAKQK GIKLFAITDH GPDMEDAPHH DATA SEQUENCE WHFINMRIWP RVVDGVGILR GIEANIKNVD GEIDCSGKMF DSLDLIIAGF DATA SEQUENCE HEPVFAPHDK ATNTQAMIAT IASGNVHIIS HPGNPKYEID VKAVAEAAAK DATA SEQUENCE HQVALEINXX XFLHXXXXXX XNCREVAAAV RDAGGWVALG SDSHTAFTMG DATA SEQUENCE EFEECLKILD AVDFPPERIL NVSPRRLLNF LESRGMAPIA EFADL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.238 176.300 -0.103 0.000 1.140 1 M CA 0.000 55.148 55.300 -0.254 0.000 0.988 1 M CB 0.000 32.398 32.600 -0.336 0.000 1.302 2 Y N 0.875 121.253 120.300 0.131 0.000 2.970 2 Y HA -0.126 4.450 4.550 0.043 0.000 0.164 2 Y C -1.841 174.173 175.900 0.191 0.000 1.661 2 Y CA 0.356 58.567 58.100 0.185 0.000 0.895 2 Y CB -1.827 36.826 38.460 0.322 0.000 1.437 2 Y HN 0.394 nan 8.280 nan 0.000 0.371 3 P HA 0.235 nan 4.420 nan 0.000 0.244 3 P C -0.348 177.051 177.300 0.165 0.000 1.632 3 P CA 0.379 63.570 63.100 0.152 0.000 0.944 3 P CB 0.393 32.141 31.700 0.081 0.000 1.569 4 V N 0.316 120.372 119.914 0.237 0.000 2.686 4 V HA 0.424 4.572 4.120 0.046 0.000 0.306 4 V C -0.843 175.423 176.094 0.287 0.000 1.065 4 V CA -0.460 61.953 62.300 0.189 0.000 0.894 4 V CB 2.669 34.553 31.823 0.101 0.000 1.004 4 V HN -0.007 nan 8.190 nan 0.000 0.424 5 D N 3.223 123.788 120.400 0.275 0.000 2.787 5 D HA 0.549 5.216 4.640 0.046 0.000 0.246 5 D C -0.116 176.316 176.300 0.220 0.000 1.150 5 D CA -0.370 53.833 54.000 0.337 0.000 0.864 5 D CB 2.285 43.301 40.800 0.360 0.000 1.481 5 D HN 0.382 nan 8.370 nan 0.000 0.509 6 L N 2.490 123.809 121.223 0.160 0.000 2.858 6 L HA 0.304 4.671 4.340 0.046 0.000 0.251 6 L C 0.268 177.217 176.870 0.132 0.000 1.149 6 L CA -0.184 54.715 54.840 0.098 0.000 0.955 6 L CB 0.316 42.386 42.059 0.017 0.000 1.289 6 L HN 0.453 nan 8.230 nan 0.000 0.542 7 H N 2.091 121.181 119.070 0.033 0.000 3.172 7 H HA 0.554 5.137 4.556 0.045 0.000 0.322 7 H C -0.933 174.373 175.328 -0.037 0.000 1.003 7 H CA -0.611 55.430 56.048 -0.012 0.000 1.466 7 H CB 0.881 30.674 29.762 0.050 0.000 1.673 7 H HN -0.012 nan 8.280 nan 0.000 0.512 8 M N 2.625 122.226 119.600 0.001 0.000 2.773 8 M HA 0.430 4.937 4.480 0.046 0.000 0.270 8 M C -2.115 173.908 176.300 -0.462 0.000 1.238 8 M CA -0.966 54.215 55.300 -0.197 0.000 0.832 8 M CB 3.250 35.651 32.600 -0.332 0.000 1.672 8 M HN 0.450 nan 8.290 nan 0.000 0.480 9 H N 0.586 119.526 119.070 -0.216 0.000 2.768 9 H HA 0.631 5.215 4.556 0.047 0.000 0.371 9 H C -0.761 174.574 175.328 0.012 0.000 1.151 9 H CA -0.188 55.732 56.048 -0.212 0.000 1.165 9 H CB 2.501 31.915 29.762 -0.581 0.000 1.722 9 H HN 0.911 nan 8.280 nan 0.000 0.543 10 T N -2.427 112.215 114.554 0.147 0.000 2.919 10 T HA 0.206 4.583 4.350 0.046 0.000 0.282 10 T C 1.569 176.302 174.700 0.055 0.000 1.020 10 T CA -0.348 61.866 62.100 0.191 0.000 0.994 10 T CB 0.769 69.769 68.868 0.219 0.000 1.180 10 T HN 0.335 nan 8.240 nan 0.000 0.566 11 V N -1.126 118.816 119.914 0.046 0.000 3.140 11 V HA 0.034 4.182 4.120 0.046 0.000 0.269 11 V C 2.698 178.767 176.094 -0.042 0.000 1.149 11 V CA 1.507 63.797 62.300 -0.018 0.000 1.162 11 V CB -2.236 29.599 31.823 0.020 0.000 0.756 11 V HN 1.018 nan 8.190 nan 0.000 0.523 12 A N 0.167 122.953 122.820 -0.057 0.000 2.032 12 A HA -0.053 4.294 4.320 0.046 0.000 0.221 12 A C 1.608 179.110 177.584 -0.136 0.000 1.165 12 A CA 1.677 53.605 52.037 -0.182 0.000 0.645 12 A CB -0.498 18.162 19.000 -0.566 0.000 0.807 12 A HN 0.637 nan 8.150 nan 0.000 0.453 13 S N -0.905 114.736 115.700 -0.099 0.000 2.475 13 S HA 0.354 4.852 4.470 0.046 0.000 0.298 13 S C 1.316 175.833 174.600 -0.137 0.000 1.119 13 S CA 0.075 58.228 58.200 -0.078 0.000 1.085 13 S CB 1.594 64.713 63.200 -0.136 0.000 1.028 13 S HN 0.585 nan 8.310 nan 0.000 0.489 14 T N -0.732 113.790 114.554 -0.054 0.000 3.051 14 T HA -0.154 4.223 4.350 0.046 0.000 0.269 14 T C 1.300 175.879 174.700 -0.202 0.000 1.127 14 T CA 1.048 63.095 62.100 -0.088 0.000 1.107 14 T CB -0.522 68.350 68.868 0.007 0.000 0.898 14 T HN 0.851 nan 8.240 nan 0.000 0.517 15 H N 0.515 119.490 119.070 -0.158 0.000 2.536 15 H HA 0.664 5.247 4.556 0.046 0.000 0.276 15 H C 0.362 175.491 175.328 -0.331 0.000 1.019 15 H CA -0.046 55.886 56.048 -0.195 0.000 1.159 15 H CB -0.307 29.444 29.762 -0.018 0.000 1.373 15 H HN 0.528 nan 8.280 nan 0.000 0.584 16 A N 0.527 122.930 122.820 -0.696 0.000 2.386 16 A HA 0.542 4.890 4.320 0.046 0.000 0.308 16 A C -1.287 175.882 177.584 -0.692 0.000 1.128 16 A CA -0.852 50.868 52.037 -0.529 0.000 0.789 16 A CB 0.922 19.839 19.000 -0.138 0.000 1.325 16 A HN 0.284 nan 8.150 nan 0.000 0.437 17 Y N -0.385 119.983 120.300 0.113 0.000 2.728 17 Y HA 0.341 4.918 4.550 0.045 0.000 0.256 17 Y C 0.576 176.492 175.900 0.028 0.000 1.112 17 Y CA -0.162 57.983 58.100 0.075 0.000 1.240 17 Y CB 0.616 39.129 38.460 0.089 0.000 1.337 17 Y HN 0.407 nan 8.280 nan 0.000 0.559 18 S N 0.273 116.034 115.700 0.102 0.000 2.566 18 S HA 0.610 5.108 4.470 0.046 0.000 0.298 18 S C 0.112 174.725 174.600 0.022 0.000 1.083 18 S CA -0.729 57.428 58.200 -0.071 0.000 0.978 18 S CB 1.863 64.786 63.200 -0.463 0.000 1.073 18 S HN 0.270 nan 8.310 nan 0.000 0.491 19 T N -0.406 114.134 114.554 -0.023 0.000 2.923 19 T HA 0.475 4.853 4.350 0.046 0.000 0.281 19 T C 1.197 175.962 174.700 0.109 0.000 0.995 19 T CA -0.770 61.363 62.100 0.055 0.000 0.985 19 T CB 0.419 69.289 68.868 0.003 0.000 1.114 19 T HN 0.288 nan 8.240 nan 0.000 0.548 20 L N 1.397 122.659 121.223 0.065 0.000 2.012 20 L HA -0.076 4.291 4.340 0.046 0.000 0.210 20 L C 2.719 179.581 176.870 -0.014 0.000 1.073 20 L CA 2.807 57.639 54.840 -0.012 0.000 0.748 20 L CB -1.313 40.528 42.059 -0.362 0.000 0.891 20 L HN 0.951 nan 8.230 nan 0.000 0.431 21 S N -1.611 114.049 115.700 -0.068 0.000 2.399 21 S HA -0.193 4.305 4.470 0.046 0.000 0.231 21 S C 1.738 176.281 174.600 -0.096 0.000 1.022 21 S CA 1.131 59.289 58.200 -0.070 0.000 0.983 21 S CB -0.818 62.339 63.200 -0.071 0.000 0.803 21 S HN 0.561 nan 8.310 nan 0.000 0.480 22 D N 0.778 121.090 120.400 -0.146 0.000 2.117 22 D HA -0.060 4.608 4.640 0.046 0.000 0.197 22 D C 1.707 177.793 176.300 -0.357 0.000 0.987 22 D CA 1.309 55.140 54.000 -0.282 0.000 0.829 22 D CB -0.533 40.026 40.800 -0.403 0.000 0.961 22 D HN 0.511 nan 8.370 nan 0.000 0.460 23 Y N 1.042 121.196 120.300 -0.243 0.000 2.181 23 Y HA -0.088 4.490 4.550 0.046 0.000 0.288 23 Y C 2.484 178.080 175.900 -0.507 0.000 1.146 23 Y CA 0.515 58.368 58.100 -0.412 0.000 1.164 23 Y CB -0.495 37.703 38.460 -0.436 0.000 0.982 23 Y HN -0.038 nan 8.280 nan 0.000 0.515 24 I N -0.570 119.945 120.570 -0.092 0.000 2.163 24 I HA -0.365 3.832 4.170 0.046 0.000 0.243 24 I C 2.589 178.665 176.117 -0.069 0.000 1.085 24 I CA 1.308 62.611 61.300 0.004 0.000 1.347 24 I CB -0.675 37.379 38.000 0.089 0.000 1.044 24 I HN 0.191 nan 8.210 nan 0.000 0.408 25 A N 0.064 122.822 122.820 -0.103 0.000 1.902 25 A HA -0.300 4.047 4.320 0.046 0.000 0.217 25 A C 2.249 179.750 177.584 -0.137 0.000 1.181 25 A CA 2.091 54.063 52.037 -0.107 0.000 0.623 25 A CB -0.670 18.259 19.000 -0.119 0.000 0.818 25 A HN 0.440 nan 8.150 nan 0.000 0.443 26 Q N -0.304 119.370 119.800 -0.210 0.000 2.119 26 Q HA 0.019 4.387 4.340 0.046 0.000 0.201 26 Q C 2.026 177.932 176.000 -0.157 0.000 0.972 26 Q CA 1.925 57.599 55.803 -0.214 0.000 0.847 26 Q CB -0.553 27.997 28.738 -0.313 0.000 0.903 26 Q HN 0.556 nan 8.270 nan 0.000 0.433 27 A N 0.881 123.591 122.820 -0.183 0.000 1.883 27 A HA -0.252 4.095 4.320 0.046 0.000 0.217 27 A C 2.064 179.625 177.584 -0.039 0.000 1.186 27 A CA 1.896 53.863 52.037 -0.118 0.000 0.624 27 A CB -0.720 18.198 19.000 -0.137 0.000 0.822 27 A HN 0.448 nan 8.150 nan 0.000 0.444 28 K N -1.156 119.225 120.400 -0.031 0.000 2.057 28 K HA -0.205 4.143 4.320 0.046 0.000 0.207 28 K C 2.255 178.845 176.600 -0.017 0.000 1.049 28 K CA 1.563 57.845 56.287 -0.008 0.000 0.931 28 K CB -0.157 32.339 32.500 -0.007 0.000 0.714 28 K HN 0.419 nan 8.250 nan 0.000 0.440 29 Q N 0.763 120.542 119.800 -0.036 0.000 2.049 29 Q HA -0.090 4.277 4.340 0.046 0.000 0.198 29 Q C 1.721 177.706 176.000 -0.025 0.000 0.971 29 Q CA 1.529 57.313 55.803 -0.031 0.000 0.833 29 Q CB 0.089 28.802 28.738 -0.042 0.000 0.896 29 Q HN 0.339 nan 8.270 nan 0.000 0.434 30 K N -0.850 119.530 120.400 -0.034 0.000 2.486 30 K HA 0.045 4.392 4.320 0.046 0.000 0.194 30 K C 0.866 177.460 176.600 -0.011 0.000 1.033 30 K CA 0.553 56.824 56.287 -0.026 0.000 1.004 30 K CB 0.227 32.702 32.500 -0.042 0.000 0.798 30 K HN 0.370 nan 8.250 nan 0.000 0.495 31 G N 1.994 110.791 108.800 -0.003 0.000 2.147 31 G HA2 -0.262 3.726 3.960 0.046 0.000 0.244 31 G HA3 -0.262 3.726 3.960 0.046 0.000 0.244 31 G C 0.041 174.958 174.900 0.027 0.000 1.005 31 G CA -0.273 44.834 45.100 0.011 0.000 0.713 31 G HN 0.231 nan 8.290 nan 0.000 0.515 32 I N 0.130 120.718 120.570 0.030 0.000 2.471 32 I HA 0.191 4.389 4.170 0.046 0.000 0.286 32 I C 1.503 177.673 176.117 0.087 0.000 1.079 32 I CA 0.164 61.504 61.300 0.066 0.000 1.398 32 I CB 1.054 39.091 38.000 0.062 0.000 1.403 32 I HN 0.086 nan 8.210 nan 0.000 0.530 33 K N 5.342 125.788 120.400 0.077 0.000 2.352 33 K HA 0.273 4.621 4.320 0.046 0.000 0.194 33 K C -0.484 176.121 176.600 0.008 0.000 1.038 33 K CA 0.248 56.561 56.287 0.043 0.000 1.023 33 K CB 0.526 33.034 32.500 0.014 0.000 0.840 33 K HN 0.371 nan 8.250 nan 0.000 0.519 34 L N 0.631 121.877 121.223 0.039 0.000 2.526 34 L HA 0.411 4.779 4.340 0.046 0.000 0.263 34 L C -1.826 175.098 176.870 0.090 0.000 0.943 34 L CA -0.840 53.953 54.840 -0.077 0.000 0.859 34 L CB 1.367 43.297 42.059 -0.214 0.000 1.313 34 L HN 0.064 nan 8.230 nan 0.000 0.406 35 F N 3.067 122.974 119.950 -0.072 0.000 2.643 35 F HA 1.010 5.564 4.527 0.044 0.000 0.314 35 F C -1.085 174.707 175.800 -0.013 0.000 1.096 35 F CA -0.581 57.404 58.000 -0.025 0.000 0.953 35 F CB 1.434 40.430 39.000 -0.007 0.000 1.345 35 F HN 0.690 nan 8.300 nan 0.000 0.468 36 A N 2.705 125.583 122.820 0.098 0.000 2.355 36 A HA 0.771 5.118 4.320 0.046 0.000 0.317 36 A C -1.316 176.345 177.584 0.129 0.000 1.094 36 A CA -0.746 51.304 52.037 0.021 0.000 0.764 36 A CB 0.947 19.950 19.000 0.005 0.000 1.230 36 A HN 0.655 nan 8.150 nan 0.000 0.448 37 I N 2.487 123.148 120.570 0.151 0.000 2.365 37 I HA 0.366 4.563 4.170 0.046 0.000 0.291 37 I C 0.501 176.646 176.117 0.047 0.000 1.004 37 I CA 0.255 61.619 61.300 0.107 0.000 1.311 37 I CB 1.003 39.211 38.000 0.347 0.000 1.401 37 I HN 0.727 nan 8.210 nan 0.000 0.491 38 T N 1.029 115.533 114.554 -0.083 0.000 3.418 38 T HA 0.324 4.701 4.350 0.046 0.000 0.315 38 T C -0.188 174.374 174.700 -0.230 0.000 1.447 38 T CA -0.912 61.123 62.100 -0.107 0.000 1.641 38 T CB 0.174 68.919 68.868 -0.205 0.000 0.904 38 T HN 0.338 nan 8.240 nan 0.000 0.640 39 D N 2.292 122.744 120.400 0.087 0.000 2.382 39 D HA 0.047 4.714 4.640 0.046 0.000 0.240 39 D C 0.576 177.065 176.300 0.314 0.000 1.146 39 D CA 0.116 54.212 54.000 0.161 0.000 0.897 39 D CB 0.585 41.485 40.800 0.167 0.000 1.197 39 D HN 0.490 nan 8.370 nan 0.000 0.432 40 H N 0.277 119.591 119.070 0.407 0.000 3.001 40 H HA 0.103 4.687 4.556 0.047 0.000 0.334 40 H C 1.021 176.479 175.328 0.217 0.000 1.034 40 H CA 0.201 56.385 56.048 0.225 0.000 1.420 40 H CB 0.265 30.107 29.762 0.133 0.000 1.405 40 H HN 0.344 nan 8.280 nan 0.000 0.593 41 G N 3.463 112.329 108.800 0.111 0.000 2.614 41 G HA2 -0.002 3.986 3.960 0.046 0.000 0.239 41 G HA3 -0.002 3.986 3.960 0.046 0.000 0.239 41 G C -1.242 173.706 174.900 0.081 0.000 1.240 41 G CA -0.954 44.099 45.100 -0.079 0.000 0.842 41 G HN 0.457 nan 8.290 nan 0.000 0.584 42 P HA -0.035 nan 4.420 nan 0.000 0.230 42 P C 0.487 177.809 177.300 0.037 0.000 1.158 42 P CA 0.799 63.966 63.100 0.111 0.000 0.769 42 P CB 0.421 32.185 31.700 0.105 0.000 0.807 43 D N -0.964 119.443 120.400 0.012 0.000 2.317 43 D HA 0.023 4.691 4.640 0.046 0.000 0.211 43 D C 1.169 177.486 176.300 0.029 0.000 0.966 43 D CA 0.436 54.443 54.000 0.011 0.000 0.876 43 D CB -0.367 40.440 40.800 0.012 0.000 0.927 43 D HN 0.226 nan 8.370 nan 0.000 0.519 44 M N 0.931 120.553 119.600 0.037 0.000 2.240 44 M HA 0.030 4.538 4.480 0.046 0.000 0.333 44 M C 0.269 176.583 176.300 0.023 0.000 1.110 44 M CA -0.135 55.178 55.300 0.023 0.000 1.173 44 M CB 0.896 33.475 32.600 -0.035 0.000 1.458 44 M HN -0.195 nan 8.290 nan 0.000 0.458 45 E N 1.443 121.652 120.200 0.015 0.000 2.467 45 E HA -0.138 4.240 4.350 0.046 0.000 0.264 45 E C -0.027 176.595 176.600 0.036 0.000 1.020 45 E CA 0.716 57.128 56.400 0.019 0.000 0.945 45 E CB 0.302 30.007 29.700 0.008 0.000 0.942 45 E HN 0.732 nan 8.360 nan 0.000 0.449 46 D N 0.151 120.587 120.400 0.060 0.000 2.811 46 D HA -0.228 4.439 4.640 0.046 0.000 0.231 46 D C -1.381 174.995 176.300 0.126 0.000 1.157 46 D CA 1.081 55.144 54.000 0.105 0.000 0.716 46 D CB -0.792 40.115 40.800 0.178 0.000 1.077 46 D HN 0.453 nan 8.370 nan 0.000 0.428 47 A N -0.196 122.683 122.820 0.098 0.000 2.330 47 A HA 0.810 5.158 4.320 0.046 0.000 0.329 47 A C -2.225 175.402 177.584 0.071 0.000 1.135 47 A CA -1.017 51.094 52.037 0.124 0.000 0.817 47 A CB 1.276 20.375 19.000 0.164 0.000 1.269 47 A HN 0.151 nan 8.150 nan 0.000 0.469 48 P HA 0.089 nan 4.420 nan 0.000 0.274 48 P C -0.517 176.843 177.300 0.100 0.000 1.256 48 P CA -0.177 62.892 63.100 -0.052 0.000 0.795 48 P CB 0.283 31.715 31.700 -0.447 0.000 1.038 49 H N 0.473 119.540 119.070 -0.006 0.000 2.690 49 H HA -0.008 4.575 4.556 0.046 0.000 0.365 49 H C 1.528 176.911 175.328 0.091 0.000 1.142 49 H CA 0.461 56.493 56.048 -0.026 0.000 1.417 49 H CB 0.664 30.324 29.762 -0.170 0.000 1.446 49 H HN 0.609 nan 8.280 nan 0.000 0.599 50 H N 2.097 121.115 119.070 -0.087 0.000 2.457 50 H HA -0.154 4.429 4.556 0.046 0.000 0.297 50 H C 1.261 176.866 175.328 0.463 0.000 1.092 50 H CA 1.425 57.600 56.048 0.211 0.000 1.309 50 H CB -0.232 29.528 29.762 -0.004 0.000 1.382 50 H HN 0.495 nan 8.280 nan 0.000 0.535 51 W N 1.277 122.616 121.300 0.065 0.000 2.364 51 W HA -0.123 4.564 4.660 0.045 0.000 0.281 51 W C 2.293 178.816 176.519 0.007 0.000 1.219 51 W CA 1.373 58.709 57.345 -0.016 0.000 1.220 51 W CB -1.265 28.114 29.460 -0.134 0.000 1.127 51 W HN 0.523 nan 8.180 nan 0.000 0.556 52 H N -1.091 118.055 119.070 0.126 0.000 2.390 52 H HA -0.223 4.360 4.556 0.046 0.000 0.298 52 H C 1.815 176.958 175.328 -0.308 0.000 1.106 52 H CA 2.588 58.539 56.048 -0.162 0.000 1.297 52 H CB -0.588 28.941 29.762 -0.388 0.000 1.375 52 H HN 0.020 nan 8.280 nan 0.000 0.509 53 F N -0.684 119.295 119.950 0.047 0.000 2.317 53 F HA 0.099 4.653 4.527 0.045 0.000 0.293 53 F C 2.385 178.107 175.800 -0.130 0.000 1.085 53 F CA 0.526 58.466 58.000 -0.101 0.000 1.390 53 F CB -0.222 38.772 39.000 -0.011 0.000 1.077 53 F HN 0.126 nan 8.300 nan 0.000 0.517 54 I N 0.141 120.803 120.570 0.153 0.000 2.286 54 I HA -0.286 3.912 4.170 0.046 0.000 0.248 54 I C 1.699 177.781 176.117 -0.058 0.000 1.115 54 I CA 1.266 62.608 61.300 0.070 0.000 1.392 54 I CB -0.380 37.714 38.000 0.156 0.000 1.065 54 I HN 0.092 nan 8.210 nan 0.000 0.418 55 N N 0.402 119.045 118.700 -0.094 0.000 2.461 55 N HA 0.026 4.793 4.740 0.046 0.000 0.188 55 N C 1.550 176.901 175.510 -0.265 0.000 1.134 55 N CA 0.444 53.409 53.050 -0.143 0.000 0.878 55 N CB -0.058 38.372 38.487 -0.095 0.000 0.972 55 N HN 0.262 nan 8.380 nan 0.000 0.456 56 M N -0.168 119.157 119.600 -0.457 0.000 2.460 56 M HA -0.075 4.433 4.480 0.046 0.000 0.263 56 M C 1.681 177.597 176.300 -0.640 0.000 1.071 56 M CA 0.729 55.463 55.300 -0.943 0.000 1.096 56 M CB 0.019 31.870 32.600 -1.249 0.000 1.408 56 M HN 0.190 nan 8.290 nan 0.000 0.463 57 R N 1.582 121.892 120.500 -0.316 0.000 2.249 57 R HA -0.130 4.238 4.340 0.046 0.000 0.230 57 R C 1.709 177.951 176.300 -0.097 0.000 1.121 57 R CA 1.394 57.387 56.100 -0.178 0.000 0.997 57 R CB -1.236 28.996 30.300 -0.113 0.000 0.867 57 R HN 0.596 nan 8.270 nan 0.000 0.465 58 I N -3.164 117.365 120.570 -0.069 0.000 3.111 58 I HA 0.120 4.318 4.170 0.046 0.000 0.272 58 I C 0.062 176.298 176.117 0.198 0.000 1.268 58 I CA -0.432 60.899 61.300 0.052 0.000 1.467 58 I CB -0.215 37.825 38.000 0.068 0.000 1.087 58 I HN -0.043 nan 8.210 nan 0.000 0.467 59 W N 4.209 125.481 121.300 -0.047 0.000 2.148 59 W HA 0.266 4.953 4.660 0.044 0.000 0.347 59 W C -1.802 174.699 176.519 -0.030 0.000 1.288 59 W CA -2.152 55.171 57.345 -0.036 0.000 1.252 59 W CB -0.640 28.796 29.460 -0.041 0.000 1.156 59 W HN 0.043 nan 8.180 nan 0.000 0.580 60 P HA 0.085 nan 4.420 nan 0.000 0.271 60 P C 0.741 178.118 177.300 0.128 0.000 1.218 60 P CA -0.037 63.123 63.100 0.101 0.000 0.780 60 P CB 1.077 32.806 31.700 0.047 0.000 0.901 61 R N 1.228 121.782 120.500 0.090 0.000 2.062 61 R HA 0.075 4.442 4.340 0.046 0.000 0.229 61 R C 0.355 176.806 176.300 0.252 0.000 1.128 61 R CA 1.016 57.199 56.100 0.137 0.000 0.960 61 R CB -0.638 29.628 30.300 -0.055 0.000 0.855 61 R HN 0.361 nan 8.270 nan 0.000 0.432 62 V N 1.475 121.486 119.914 0.161 0.000 2.483 62 V HA 0.345 4.493 4.120 0.046 0.000 0.297 62 V C -0.522 175.624 176.094 0.086 0.000 1.027 62 V CA -0.767 61.623 62.300 0.149 0.000 0.855 62 V CB 2.356 34.273 31.823 0.156 0.000 0.995 62 V HN -0.205 nan 8.190 nan 0.000 0.424 63 V N 3.402 123.363 119.914 0.078 0.000 2.483 63 V HA 0.486 4.633 4.120 0.046 0.000 0.297 63 V C -0.110 176.019 176.094 0.060 0.000 1.027 63 V CA -0.645 61.689 62.300 0.057 0.000 0.855 63 V CB 1.615 33.466 31.823 0.047 0.000 0.995 63 V HN 0.961 nan 8.190 nan 0.000 0.424 64 D N 4.012 124.437 120.400 0.042 0.000 2.751 64 D HA -0.202 4.465 4.640 0.046 0.000 0.233 64 D C 1.353 177.678 176.300 0.042 0.000 1.149 64 D CA 1.784 55.805 54.000 0.035 0.000 0.682 64 D CB -1.106 39.710 40.800 0.027 0.000 1.068 64 D HN 1.496 nan 8.370 nan 0.000 0.429 65 G N -2.261 106.568 108.800 0.047 0.000 2.184 65 G HA2 -0.324 3.663 3.960 0.046 0.000 0.264 65 G HA3 -0.324 3.663 3.960 0.046 0.000 0.264 65 G C 0.375 175.307 174.900 0.053 0.000 0.975 65 G CA 0.331 45.460 45.100 0.048 0.000 0.642 65 G HN 0.631 nan 8.290 nan 0.000 0.536 66 V N 1.251 121.209 119.914 0.073 0.000 2.407 66 V HA 0.698 4.845 4.120 0.046 0.000 0.278 66 V C 1.159 177.280 176.094 0.045 0.000 1.037 66 V CA -0.147 62.209 62.300 0.093 0.000 0.900 66 V CB 1.397 33.341 31.823 0.201 0.000 0.983 66 V HN 0.689 nan 8.190 nan 0.000 0.459 67 G N 4.733 113.479 108.800 -0.090 0.000 2.415 67 G HA2 0.619 4.606 3.960 0.046 0.000 0.269 67 G HA3 0.619 4.606 3.960 0.046 0.000 0.269 67 G C -0.665 174.001 174.900 -0.389 0.000 1.209 67 G CA -0.373 44.557 45.100 -0.284 0.000 0.835 67 G HN 0.644 nan 8.290 nan 0.000 0.534 68 I N 1.742 122.196 120.570 -0.194 0.000 2.439 68 I HA 0.266 4.463 4.170 0.046 0.000 0.285 68 I C -0.394 175.712 176.117 -0.019 0.000 1.021 68 I CA -0.464 60.608 61.300 -0.381 0.000 1.091 68 I CB 1.905 39.765 38.000 -0.232 0.000 1.242 68 I HN 0.132 nan 8.210 nan 0.000 0.439 69 L N 6.134 127.267 121.223 -0.151 0.000 2.325 69 L HA 0.514 4.882 4.340 0.046 0.000 0.279 69 L C 0.122 177.004 176.870 0.020 0.000 1.054 69 L CA -0.667 54.180 54.840 0.012 0.000 0.804 69 L CB 1.107 43.144 42.059 -0.037 0.000 1.200 69 L HN 0.492 nan 8.230 nan 0.000 0.436 70 R N 1.738 122.223 120.500 -0.026 0.000 2.196 70 R HA 0.545 4.913 4.340 0.046 0.000 0.340 70 R C 0.083 176.325 176.300 -0.095 0.000 1.043 70 R CA -0.219 55.778 56.100 -0.171 0.000 0.883 70 R CB 1.083 31.213 30.300 -0.284 0.000 1.078 70 R HN 0.783 nan 8.270 nan 0.000 0.462 71 G N 1.960 110.728 108.800 -0.054 0.000 2.818 71 G HA2 0.729 4.717 3.960 0.046 0.000 0.286 71 G HA3 0.729 4.717 3.960 0.046 0.000 0.286 71 G C -1.450 173.485 174.900 0.059 0.000 1.364 71 G CA -0.601 44.497 45.100 -0.004 0.000 0.938 71 G HN 0.488 nan 8.290 nan 0.000 0.490 72 I N -1.017 119.540 120.570 -0.021 0.000 2.802 72 I HA 0.491 4.689 4.170 0.046 0.000 0.298 72 I C -1.158 174.870 176.117 -0.147 0.000 1.176 72 I CA -0.804 60.446 61.300 -0.083 0.000 1.025 72 I CB 2.619 40.345 38.000 -0.457 0.000 1.243 72 I HN 0.555 nan 8.210 nan 0.000 0.424 73 E N 6.376 126.492 120.200 -0.140 0.000 2.167 73 E HA 0.535 4.913 4.350 0.046 0.000 0.247 73 E C -0.611 175.929 176.600 -0.100 0.000 0.961 73 E CA -0.512 55.794 56.400 -0.157 0.000 0.797 73 E CB 0.958 30.565 29.700 -0.156 0.000 1.182 73 E HN 0.677 nan 8.360 nan 0.000 0.437 74 A N 4.201 126.926 122.820 -0.159 0.000 2.366 74 A HA 0.237 4.585 4.320 0.046 0.000 0.249 74 A C -0.015 177.539 177.584 -0.050 0.000 1.084 74 A CA -0.462 51.477 52.037 -0.163 0.000 0.794 74 A CB 0.434 19.304 19.000 -0.217 0.000 1.034 74 A HN 0.696 nan 8.150 nan 0.000 0.491 75 N N 0.838 119.527 118.700 -0.017 0.000 2.419 75 N HA 0.303 5.070 4.740 0.046 0.000 0.277 75 N C -0.673 174.846 175.510 0.014 0.000 1.006 75 N CA -0.167 52.929 53.050 0.076 0.000 0.923 75 N CB 1.363 39.928 38.487 0.131 0.000 1.140 75 N HN 0.554 nan 8.380 nan 0.000 0.488 76 I N 2.380 122.916 120.570 -0.057 0.000 2.742 76 I HA -0.114 4.084 4.170 0.046 0.000 0.287 76 I C 1.570 177.770 176.117 0.138 0.000 1.186 76 I CA 0.601 61.845 61.300 -0.093 0.000 1.417 76 I CB 0.467 38.218 38.000 -0.414 0.000 1.377 76 I HN 0.376 nan 8.210 nan 0.000 0.556 77 K N 4.318 124.815 120.400 0.161 0.000 2.276 77 K HA 0.086 4.433 4.320 0.046 0.000 0.198 77 K C -0.044 176.785 176.600 0.382 0.000 1.052 77 K CA 0.482 56.917 56.287 0.248 0.000 0.984 77 K CB 0.137 32.706 32.500 0.115 0.000 0.836 77 K HN 0.803 nan 8.250 nan 0.000 0.490 78 N N -2.614 116.300 118.700 0.357 0.000 3.106 78 N HA -0.008 4.760 4.740 0.046 0.000 0.253 78 N C 0.341 176.054 175.510 0.338 0.000 1.506 78 N CA -0.567 52.699 53.050 0.360 0.000 0.876 78 N CB 0.817 39.395 38.487 0.151 0.000 1.452 78 N HN -0.208 nan 8.380 nan 0.000 0.542 79 V N -3.718 116.356 119.914 0.267 0.000 3.305 79 V HA 0.097 4.245 4.120 0.046 0.000 0.269 79 V C 0.162 176.317 176.094 0.100 0.000 1.157 79 V CA 1.354 63.770 62.300 0.194 0.000 1.157 79 V CB -0.734 31.174 31.823 0.142 0.000 0.772 79 V HN 0.603 nan 8.190 nan 0.000 0.498 80 D N 1.302 121.749 120.400 0.078 0.000 2.340 80 D HA 0.213 4.880 4.640 0.046 0.000 0.220 80 D C 1.831 178.140 176.300 0.014 0.000 1.039 80 D CA 1.024 55.045 54.000 0.036 0.000 0.866 80 D CB 0.550 41.366 40.800 0.026 0.000 0.913 80 D HN 0.731 nan 8.370 nan 0.000 0.523 81 G N 1.744 110.556 108.800 0.020 0.000 2.147 81 G HA2 -0.287 3.700 3.960 0.046 0.000 0.244 81 G HA3 -0.287 3.700 3.960 0.046 0.000 0.244 81 G C 0.013 174.896 174.900 -0.029 0.000 1.005 81 G CA -0.137 44.944 45.100 -0.032 0.000 0.713 81 G HN 0.345 nan 8.290 nan 0.000 0.515 82 E N 0.016 120.220 120.200 0.006 0.000 2.354 82 E HA 0.542 4.919 4.350 0.046 0.000 0.269 82 E C 1.059 177.661 176.600 0.002 0.000 1.036 82 E CA 0.198 56.604 56.400 0.010 0.000 0.876 82 E CB 1.101 30.815 29.700 0.022 0.000 1.009 82 E HN 0.708 nan 8.360 nan 0.000 0.416 83 I N -1.248 119.316 120.570 -0.010 0.000 2.957 83 I HA 0.321 4.519 4.170 0.046 0.000 0.310 83 I C -0.216 175.858 176.117 -0.072 0.000 1.063 83 I CA -1.179 60.095 61.300 -0.044 0.000 1.033 83 I CB 1.849 39.805 38.000 -0.075 0.000 1.230 83 I HN 0.268 nan 8.210 nan 0.000 0.447 84 D N 2.395 122.735 120.400 -0.100 0.000 3.085 84 D HA 0.131 4.798 4.640 0.046 0.000 0.243 84 D C -0.523 175.633 176.300 -0.239 0.000 1.232 84 D CA -0.136 53.786 54.000 -0.130 0.000 0.913 84 D CB -0.114 40.632 40.800 -0.090 0.000 1.108 84 D HN 0.514 nan 8.370 nan 0.000 0.468 85 C N 1.716 120.833 119.300 -0.306 0.000 2.346 85 C HA 0.599 5.086 4.460 0.046 0.000 0.326 85 C C 0.381 175.087 174.990 -0.473 0.000 1.224 85 C CA -0.450 58.247 59.018 -0.534 0.000 1.408 85 C CB 0.043 27.268 27.740 -0.858 0.000 2.089 85 C HN 0.536 nan 8.230 nan 0.000 0.456 86 S N 4.054 119.562 115.700 -0.319 0.000 2.655 86 S HA 0.505 5.003 4.470 0.046 0.000 0.265 86 S C 1.345 175.939 174.600 -0.010 0.000 1.240 86 S CA 0.284 58.411 58.200 -0.122 0.000 0.986 86 S CB 1.230 64.381 63.200 -0.080 0.000 0.985 86 S HN 1.177 nan 8.310 nan 0.000 0.562 87 G N 0.896 109.785 108.800 0.149 0.000 2.476 87 G HA2 -0.221 3.767 3.960 0.046 0.000 0.218 87 G HA3 -0.221 3.767 3.960 0.046 0.000 0.218 87 G C 1.288 176.289 174.900 0.168 0.000 1.164 87 G CA 0.794 46.037 45.100 0.238 0.000 0.768 87 G HN 0.770 nan 8.290 nan 0.000 0.560 88 K N -0.256 120.204 120.400 0.101 0.000 2.103 88 K HA -0.017 4.330 4.320 0.046 0.000 0.207 88 K C 2.673 179.320 176.600 0.079 0.000 1.048 88 K CA 1.329 57.673 56.287 0.094 0.000 0.930 88 K CB -0.271 32.298 32.500 0.116 0.000 0.716 88 K HN 0.337 nan 8.250 nan 0.000 0.444 89 M N -0.159 119.459 119.600 0.029 0.000 2.117 89 M HA -0.135 4.373 4.480 0.046 0.000 0.262 89 M C 1.930 178.186 176.300 -0.073 0.000 1.065 89 M CA 1.596 56.874 55.300 -0.037 0.000 1.114 89 M CB -0.372 32.133 32.600 -0.159 0.000 1.361 89 M HN -0.010 nan 8.290 nan 0.000 0.408 90 F N 1.218 121.155 119.950 -0.022 0.000 2.126 90 F HA -0.263 4.291 4.527 0.045 0.000 0.299 90 F C 2.198 177.981 175.800 -0.028 0.000 1.096 90 F CA 1.525 59.503 58.000 -0.037 0.000 1.255 90 F CB -0.846 38.126 39.000 -0.046 0.000 0.997 90 F HN 0.194 nan 8.300 nan 0.000 0.479 91 D N -0.799 119.702 120.400 0.168 0.000 2.178 91 D HA -0.125 4.543 4.640 0.046 0.000 0.201 91 D C 2.285 178.605 176.300 0.034 0.000 0.980 91 D CA 1.381 55.431 54.000 0.084 0.000 0.842 91 D CB -0.407 40.428 40.800 0.058 0.000 0.948 91 D HN 0.165 nan 8.370 nan 0.000 0.472 92 S N -0.397 115.313 115.700 0.017 0.000 2.496 92 S HA 0.102 4.600 4.470 0.046 0.000 0.224 92 S C 0.976 175.538 174.600 -0.063 0.000 0.996 92 S CA 0.017 58.194 58.200 -0.039 0.000 0.927 92 S CB 0.439 63.604 63.200 -0.058 0.000 0.774 92 S HN 0.146 nan 8.310 nan 0.000 0.524 93 L N 1.328 122.542 121.223 -0.015 0.000 2.334 93 L HA 0.396 4.763 4.340 0.046 0.000 0.275 93 L C 0.431 177.313 176.870 0.019 0.000 1.036 93 L CA -0.640 54.189 54.840 -0.019 0.000 0.807 93 L CB 1.134 43.191 42.059 -0.005 0.000 1.231 93 L HN -0.017 nan 8.230 nan 0.000 0.438 94 D N 1.235 121.631 120.400 -0.007 0.000 2.262 94 D HA 0.100 4.768 4.640 0.046 0.000 0.212 94 D C -0.003 176.284 176.300 -0.020 0.000 0.964 94 D CA 0.936 54.929 54.000 -0.012 0.000 0.875 94 D CB 0.710 41.497 40.800 -0.022 0.000 0.996 94 D HN 0.097 nan 8.370 nan 0.000 0.497 95 L N 1.402 122.632 121.223 0.012 0.000 2.381 95 L HA 0.327 4.694 4.340 0.046 0.000 0.274 95 L C -1.623 175.347 176.870 0.165 0.000 0.988 95 L CA -0.593 54.264 54.840 0.029 0.000 0.824 95 L CB 1.901 43.934 42.059 -0.044 0.000 1.263 95 L HN -0.235 nan 8.230 nan 0.000 0.410 96 I N 6.739 127.558 120.570 0.415 0.000 2.359 96 I HA 0.373 4.570 4.170 0.046 0.000 0.284 96 I C 0.083 176.237 176.117 0.061 0.000 1.018 96 I CA -0.298 61.089 61.300 0.145 0.000 1.173 96 I CB 0.763 38.826 38.000 0.105 0.000 1.326 96 I HN 0.532 nan 8.210 nan 0.000 0.462 97 I N 4.596 125.135 120.570 -0.051 0.000 2.566 97 I HA 0.710 4.907 4.170 0.046 0.000 0.303 97 I C 0.364 176.390 176.117 -0.152 0.000 0.983 97 I CA -0.611 60.616 61.300 -0.122 0.000 1.235 97 I CB 2.006 39.865 38.000 -0.234 0.000 1.386 97 I HN 0.649 nan 8.210 nan 0.000 0.494 98 A N 3.318 126.030 122.820 -0.180 0.000 2.449 98 A HA 0.900 5.248 4.320 0.046 0.000 0.302 98 A C -0.505 176.909 177.584 -0.284 0.000 1.048 98 A CA -0.397 51.522 52.037 -0.197 0.000 0.708 98 A CB 1.814 20.696 19.000 -0.198 0.000 1.274 98 A HN 0.878 nan 8.150 nan 0.000 0.410 99 G N -0.199 108.448 108.800 -0.255 0.000 2.682 99 G HA2 0.603 4.591 3.960 0.046 0.000 0.290 99 G HA3 0.603 4.591 3.960 0.046 0.000 0.290 99 G C -1.583 173.058 174.900 -0.431 0.000 1.425 99 G CA -0.598 44.235 45.100 -0.446 0.000 0.807 99 G HN 0.391 nan 8.290 nan 0.000 0.482 100 F N 0.961 120.584 119.950 -0.545 0.000 2.424 100 F HA 0.520 5.075 4.527 0.047 0.000 0.356 100 F C 0.340 175.722 175.800 -0.696 0.000 1.110 100 F CA -0.346 57.233 58.000 -0.703 0.000 1.161 100 F CB 1.089 39.216 39.000 -1.456 0.000 1.115 100 F HN 0.226 nan 8.300 nan 0.000 0.507 101 H N 0.302 119.481 119.070 0.183 0.000 2.667 101 H HA 0.178 4.761 4.556 0.045 0.000 0.353 101 H C 0.786 176.290 175.328 0.294 0.000 1.072 101 H CA -0.688 55.493 56.048 0.222 0.000 1.214 101 H CB 1.617 31.435 29.762 0.093 0.000 1.600 101 H HN 0.673 nan 8.280 nan 0.000 0.527 102 E N 3.205 123.659 120.200 0.423 0.000 2.160 102 E HA -0.113 4.265 4.350 0.046 0.000 0.195 102 E C -0.849 175.886 176.600 0.224 0.000 0.991 102 E CA 1.111 57.720 56.400 0.348 0.000 0.810 102 E CB -0.367 29.467 29.700 0.224 0.000 0.742 102 E HN 0.518 nan 8.360 nan 0.000 0.466 103 P HA -0.115 nan 4.420 nan 0.000 0.218 103 P C 1.293 178.667 177.300 0.123 0.000 1.149 103 P CA 0.899 64.065 63.100 0.111 0.000 0.817 103 P CB 0.121 31.867 31.700 0.076 0.000 0.785 104 V N -2.180 117.844 119.914 0.184 0.000 2.500 104 V HA 0.038 4.185 4.120 0.046 0.000 0.243 104 V C 0.833 177.082 176.094 0.259 0.000 1.039 104 V CA 1.002 63.417 62.300 0.192 0.000 1.053 104 V CB -0.493 31.454 31.823 0.206 0.000 0.695 104 V HN -0.031 nan 8.190 nan 0.000 0.463 105 F N 0.898 120.950 119.950 0.169 0.000 2.716 105 F HA 0.745 5.300 4.527 0.047 0.000 0.354 105 F C 0.138 176.060 175.800 0.203 0.000 1.168 105 F CA -1.321 56.780 58.000 0.169 0.000 1.045 105 F CB 0.569 39.714 39.000 0.242 0.000 1.311 105 F HN 0.006 nan 8.300 nan 0.000 0.477 106 A N 6.749 129.613 122.820 0.074 0.000 2.425 106 A HA 0.585 4.932 4.320 0.046 0.000 0.249 106 A C -2.492 175.161 177.584 0.116 0.000 1.084 106 A CA -1.328 50.764 52.037 0.091 0.000 0.781 106 A CB -0.424 18.562 19.000 -0.024 0.000 1.019 106 A HN 0.499 nan 8.150 nan 0.000 0.490 107 P HA 0.106 nan 4.420 nan 0.000 0.265 107 P C -0.164 177.114 177.300 -0.037 0.000 1.193 107 P CA 0.586 63.527 63.100 -0.266 0.000 0.765 107 P CB 0.439 31.733 31.700 -0.676 0.000 0.823 108 H N 0.964 120.002 119.070 -0.055 0.000 3.747 108 H HA 0.253 4.836 4.556 0.046 0.000 0.343 108 H C -0.605 174.711 175.328 -0.020 0.000 1.692 108 H CA -0.610 55.409 56.048 -0.048 0.000 1.262 108 H CB 1.352 31.088 29.762 -0.044 0.000 1.557 108 H HN 0.365 nan 8.280 nan 0.000 0.722 109 D N 0.542 120.923 120.400 -0.031 0.000 2.400 109 D HA -0.016 4.651 4.640 0.046 0.000 0.238 109 D C 1.350 177.715 176.300 0.108 0.000 1.157 109 D CA 0.181 54.187 54.000 0.010 0.000 0.889 109 D CB 0.968 41.801 40.800 0.055 0.000 1.199 109 D HN 0.428 nan 8.370 nan 0.000 0.436 110 K N 2.172 122.611 120.400 0.066 0.000 2.074 110 K HA -0.272 4.075 4.320 0.046 0.000 0.209 110 K C 1.767 178.433 176.600 0.110 0.000 1.048 110 K CA 1.590 57.926 56.287 0.083 0.000 0.926 110 K CB -0.289 32.246 32.500 0.059 0.000 0.713 110 K HN 0.541 nan 8.250 nan 0.000 0.444 111 A N 0.248 123.132 122.820 0.107 0.000 1.969 111 A HA -0.115 4.232 4.320 0.046 0.000 0.218 111 A C 2.130 179.798 177.584 0.140 0.000 1.169 111 A CA 2.038 54.140 52.037 0.109 0.000 0.635 111 A CB -0.783 18.270 19.000 0.088 0.000 0.810 111 A HN 0.452 nan 8.150 nan 0.000 0.445 112 T N 0.854 115.518 114.554 0.184 0.000 2.737 112 T HA -0.121 4.257 4.350 0.046 0.000 0.265 112 T C 1.836 176.703 174.700 0.279 0.000 1.038 112 T CA 1.450 63.680 62.100 0.217 0.000 1.144 112 T CB -0.391 68.621 68.868 0.240 0.000 0.866 112 T HN 0.522 nan 8.240 nan 0.000 0.434 113 N N 1.038 119.887 118.700 0.249 0.000 2.120 113 N HA -0.072 4.696 4.740 0.046 0.000 0.188 113 N C 2.081 177.760 175.510 0.281 0.000 1.024 113 N CA 1.376 54.541 53.050 0.191 0.000 0.852 113 N CB -0.916 37.641 38.487 0.117 0.000 1.003 113 N HN 0.341 nan 8.380 nan 0.000 0.424 114 T N 1.266 115.939 114.554 0.200 0.000 2.708 114 T HA -0.165 4.212 4.350 0.046 0.000 0.266 114 T C 1.918 176.693 174.700 0.125 0.000 1.037 114 T CA 1.150 63.341 62.100 0.152 0.000 1.146 114 T CB -0.189 68.746 68.868 0.113 0.000 0.865 114 T HN 0.340 nan 8.240 nan 0.000 0.435 115 Q N 0.477 120.355 119.800 0.129 0.000 2.084 115 Q HA -0.098 4.270 4.340 0.046 0.000 0.202 115 Q C 2.503 178.558 176.000 0.092 0.000 0.978 115 Q CA 1.469 57.331 55.803 0.099 0.000 0.844 115 Q CB -0.288 28.510 28.738 0.100 0.000 0.898 115 Q HN 0.540 nan 8.270 nan 0.000 0.426 116 A N 0.844 123.755 122.820 0.151 0.000 1.902 116 A HA -0.222 4.125 4.320 0.046 0.000 0.217 116 A C 2.058 179.617 177.584 -0.042 0.000 1.181 116 A CA 1.658 53.759 52.037 0.107 0.000 0.623 116 A CB -0.650 18.446 19.000 0.160 0.000 0.818 116 A HN 0.604 nan 8.150 nan 0.000 0.443 117 M N -0.777 118.804 119.600 -0.032 0.000 2.132 117 M HA -0.044 4.463 4.480 0.046 0.000 0.263 117 M C 1.913 178.132 176.300 -0.134 0.000 1.065 117 M CA 1.674 56.842 55.300 -0.219 0.000 1.122 117 M CB -0.231 32.257 32.600 -0.186 0.000 1.365 117 M HN 0.406 nan 8.290 nan 0.000 0.411 118 I N 0.300 120.840 120.570 -0.049 0.000 2.315 118 I HA -0.208 3.989 4.170 0.046 0.000 0.248 118 I C 2.554 178.617 176.117 -0.090 0.000 1.117 118 I CA 1.065 62.336 61.300 -0.048 0.000 1.404 118 I CB -0.478 37.524 38.000 0.003 0.000 1.071 118 I HN 0.372 nan 8.210 nan 0.000 0.419 119 A N 0.169 122.949 122.820 -0.067 0.000 1.972 119 A HA -0.191 4.157 4.320 0.046 0.000 0.219 119 A C 2.348 179.859 177.584 -0.122 0.000 1.169 119 A CA 2.311 54.300 52.037 -0.080 0.000 0.635 119 A CB -0.955 18.028 19.000 -0.029 0.000 0.810 119 A HN 0.376 nan 8.150 nan 0.000 0.446 120 T N 0.200 114.670 114.554 -0.140 0.000 2.737 120 T HA -0.060 4.317 4.350 0.046 0.000 0.265 120 T C 1.803 176.394 174.700 -0.181 0.000 1.038 120 T CA 1.417 63.419 62.100 -0.163 0.000 1.144 120 T CB -0.366 68.368 68.868 -0.223 0.000 0.866 120 T HN 0.419 nan 8.240 nan 0.000 0.434 121 I N 1.419 121.877 120.570 -0.187 0.000 2.163 121 I HA -0.189 4.008 4.170 0.046 0.000 0.243 121 I C 2.713 178.625 176.117 -0.343 0.000 1.085 121 I CA 1.206 62.396 61.300 -0.183 0.000 1.347 121 I CB -0.340 37.592 38.000 -0.114 0.000 1.044 121 I HN 0.187 nan 8.210 nan 0.000 0.408 122 A N 0.141 122.672 122.820 -0.482 0.000 2.209 122 A HA -0.110 4.237 4.320 0.046 0.000 0.212 122 A C 2.315 179.657 177.584 -0.404 0.000 1.158 122 A CA 1.299 52.840 52.037 -0.828 0.000 0.742 122 A CB -0.610 18.059 19.000 -0.551 0.000 0.790 122 A HN 0.535 nan 8.150 nan 0.000 0.472 123 S N -1.479 114.070 115.700 -0.252 0.000 2.481 123 S HA 0.262 4.759 4.470 0.046 0.000 0.231 123 S C 1.638 176.146 174.600 -0.154 0.000 0.996 123 S CA 1.148 59.251 58.200 -0.162 0.000 0.942 123 S CB -0.594 62.530 63.200 -0.126 0.000 0.768 123 S HN 1.819 nan 8.310 nan 0.000 0.520 124 G N 1.799 110.502 108.800 -0.162 0.000 2.168 124 G HA2 -0.296 3.692 3.960 0.046 0.000 0.263 124 G HA3 -0.296 3.692 3.960 0.046 0.000 0.263 124 G C 0.683 175.454 174.900 -0.215 0.000 0.977 124 G CA 0.468 45.485 45.100 -0.139 0.000 0.659 124 G HN 0.562 nan 8.290 nan 0.000 0.533 125 N N -0.651 117.916 118.700 -0.222 0.000 2.373 125 N HA 0.190 4.958 4.740 0.046 0.000 0.181 125 N C 0.500 175.871 175.510 -0.232 0.000 1.082 125 N CA 0.863 53.749 53.050 -0.274 0.000 0.885 125 N CB 0.830 39.225 38.487 -0.153 0.000 0.977 125 N HN 0.379 nan 8.380 nan 0.000 0.462 126 V N 0.091 119.860 119.914 -0.241 0.000 2.680 126 V HA 0.224 4.372 4.120 0.046 0.000 0.309 126 V C 0.250 176.187 176.094 -0.261 0.000 1.052 126 V CA -0.590 61.576 62.300 -0.222 0.000 0.908 126 V CB 2.177 33.922 31.823 -0.131 0.000 1.001 126 V HN 0.108 nan 8.190 nan 0.000 0.431 127 H N 2.878 121.960 119.070 0.021 0.000 2.553 127 H HA 0.498 5.082 4.556 0.047 0.000 0.276 127 H C -0.081 175.331 175.328 0.139 0.000 0.979 127 H CA 0.464 56.578 56.048 0.111 0.000 1.268 127 H CB 0.604 30.438 29.762 0.120 0.000 1.450 127 H HN 0.404 nan 8.280 nan 0.000 0.527 128 I N 1.318 121.960 120.570 0.119 0.000 2.692 128 I HA 0.175 4.372 4.170 0.046 0.000 0.293 128 I C -1.170 174.902 176.117 -0.075 0.000 1.200 128 I CA -0.888 60.423 61.300 0.019 0.000 1.036 128 I CB 3.115 41.108 38.000 -0.011 0.000 1.258 128 I HN -0.037 nan 8.210 nan 0.000 0.421 129 I N 4.264 124.773 120.570 -0.102 0.000 2.325 129 I HA 0.196 4.394 4.170 0.046 0.000 0.291 129 I C 0.698 176.685 176.117 -0.218 0.000 1.019 129 I CA -0.097 61.091 61.300 -0.187 0.000 1.302 129 I CB 1.384 39.271 38.000 -0.189 0.000 1.401 129 I HN 0.613 nan 8.210 nan 0.000 0.485 130 S N 5.049 120.546 115.700 -0.337 0.000 2.565 130 S HA 0.200 4.697 4.470 0.046 0.000 0.274 130 S C 0.393 174.613 174.600 -0.634 0.000 1.309 130 S CA -0.428 57.511 58.200 -0.435 0.000 1.043 130 S CB 0.051 62.937 63.200 -0.523 0.000 0.939 130 S HN 0.818 nan 8.310 nan 0.000 0.504 131 H N -1.033 118.086 119.070 0.082 0.000 2.207 131 H HA -0.085 4.499 4.556 0.046 0.000 0.325 131 H C -2.007 173.346 175.328 0.042 0.000 0.959 131 H CA 0.497 56.593 56.048 0.081 0.000 1.085 131 H CB -2.230 27.617 29.762 0.141 0.000 1.582 131 H HN 0.544 nan 8.280 nan 0.000 0.361 132 P HA -0.047 nan 4.420 nan 0.000 0.226 132 P C 1.685 179.058 177.300 0.123 0.000 1.153 132 P CA 1.551 64.685 63.100 0.057 0.000 0.777 132 P CB -0.110 31.589 31.700 -0.002 0.000 0.794 133 G N -0.020 108.857 108.800 0.129 0.000 2.920 133 G HA2 -0.124 3.864 3.960 0.046 0.000 0.208 133 G HA3 -0.124 3.864 3.960 0.046 0.000 0.208 133 G C 0.700 175.687 174.900 0.146 0.000 1.159 133 G CA -0.181 44.992 45.100 0.121 0.000 0.784 133 G HN 0.255 nan 8.290 nan 0.000 0.535 134 N N 1.331 120.152 118.700 0.201 0.000 2.434 134 N HA 0.110 4.877 4.740 0.046 0.000 0.268 134 N C -1.372 174.251 175.510 0.188 0.000 1.256 134 N CA -1.844 51.329 53.050 0.204 0.000 0.914 134 N CB 1.613 40.271 38.487 0.285 0.000 1.088 134 N HN -0.086 nan 8.380 nan 0.000 0.478 135 P HA -0.130 nan 4.420 nan 0.000 0.222 135 P C 1.071 178.403 177.300 0.054 0.000 1.147 135 P CA 0.961 64.109 63.100 0.080 0.000 0.790 135 P CB 0.260 31.989 31.700 0.048 0.000 0.780 136 K N -1.110 119.324 120.400 0.056 0.000 2.152 136 K HA -0.143 4.204 4.320 0.046 0.000 0.206 136 K C -0.124 176.326 176.600 -0.250 0.000 1.048 136 K CA 1.156 57.388 56.287 -0.090 0.000 0.933 136 K CB -0.129 32.331 32.500 -0.067 0.000 0.721 136 K HN 0.205 nan 8.250 nan 0.000 0.447 137 Y N 1.233 121.553 120.300 0.033 0.000 2.686 137 Y HA 0.203 4.781 4.550 0.047 0.000 0.331 137 Y C -0.492 175.433 175.900 0.041 0.000 0.996 137 Y CA -0.803 57.298 58.100 0.000 0.000 1.293 137 Y CB 1.004 39.465 38.460 0.002 0.000 1.092 137 Y HN -0.015 nan 8.280 nan 0.000 0.524 138 E N 4.728 124.991 120.200 0.105 0.000 2.376 138 E HA 0.359 4.737 4.350 0.046 0.000 0.266 138 E C -0.599 176.077 176.600 0.127 0.000 1.009 138 E CA -0.059 56.400 56.400 0.098 0.000 0.902 138 E CB 0.583 30.311 29.700 0.048 0.000 0.972 138 E HN 0.701 nan 8.360 nan 0.000 0.439 139 I N 0.270 120.915 120.570 0.126 0.000 2.969 139 I HA 0.368 4.566 4.170 0.046 0.000 0.307 139 I C -0.558 175.614 176.117 0.092 0.000 1.149 139 I CA -1.239 60.137 61.300 0.127 0.000 1.008 139 I CB 1.860 39.954 38.000 0.156 0.000 1.232 139 I HN 0.255 nan 8.210 nan 0.000 0.435 140 D N 3.241 123.691 120.400 0.083 0.000 2.367 140 D HA 0.135 4.802 4.640 0.046 0.000 0.255 140 D C 1.013 177.351 176.300 0.063 0.000 1.300 140 D CA 0.151 54.190 54.000 0.066 0.000 0.959 140 D CB 1.236 42.073 40.800 0.061 0.000 1.064 140 D HN 0.472 nan 8.370 nan 0.000 0.509 141 V N 4.858 124.808 119.914 0.060 0.000 2.343 141 V HA -0.223 3.925 4.120 0.046 0.000 0.247 141 V C 2.555 178.680 176.094 0.051 0.000 1.051 141 V CA 1.674 64.009 62.300 0.058 0.000 1.036 141 V CB -0.422 31.435 31.823 0.057 0.000 0.654 141 V HN 0.553 nan 8.190 nan 0.000 0.451 142 K N 0.445 120.873 120.400 0.046 0.000 2.026 142 K HA -0.182 4.166 4.320 0.046 0.000 0.208 142 K C 2.200 178.825 176.600 0.042 0.000 1.048 142 K CA 1.645 57.957 56.287 0.041 0.000 0.929 142 K CB -0.352 32.169 32.500 0.035 0.000 0.713 142 K HN 0.407 nan 8.250 nan 0.000 0.439 143 A N 0.727 123.573 122.820 0.044 0.000 1.933 143 A HA -0.100 4.247 4.320 0.046 0.000 0.218 143 A C 2.232 179.846 177.584 0.049 0.000 1.175 143 A CA 1.615 53.680 52.037 0.045 0.000 0.628 143 A CB -0.589 18.439 19.000 0.047 0.000 0.814 143 A HN 0.192 nan 8.150 nan 0.000 0.444 144 V N -0.179 119.765 119.914 0.049 0.000 2.295 144 V HA -0.244 3.903 4.120 0.046 0.000 0.246 144 V C 3.051 179.173 176.094 0.047 0.000 1.049 144 V CA 1.936 64.262 62.300 0.043 0.000 1.024 144 V CB -1.242 30.603 31.823 0.037 0.000 0.648 144 V HN 0.611 nan 8.190 nan 0.000 0.447 145 A N -0.402 122.447 122.820 0.049 0.000 1.933 145 A HA -0.237 4.110 4.320 0.046 0.000 0.218 145 A C 2.171 179.788 177.584 0.054 0.000 1.175 145 A CA 1.866 53.935 52.037 0.054 0.000 0.628 145 A CB -0.433 18.600 19.000 0.055 0.000 0.814 145 A HN 0.644 nan 8.150 nan 0.000 0.444 146 E N -0.264 119.965 120.200 0.048 0.000 2.072 146 E HA -0.068 4.309 4.350 0.046 0.000 0.191 146 E C 2.336 178.973 176.600 0.062 0.000 0.985 146 E CA 0.835 57.260 56.400 0.042 0.000 0.801 146 E CB -0.278 29.441 29.700 0.031 0.000 0.750 146 E HN 0.617 nan 8.360 nan 0.000 0.452 147 A N 1.665 124.539 122.820 0.089 0.000 1.902 147 A HA -0.120 4.228 4.320 0.046 0.000 0.217 147 A C 2.420 180.126 177.584 0.203 0.000 1.181 147 A CA 1.693 53.830 52.037 0.167 0.000 0.623 147 A CB -0.660 18.422 19.000 0.137 0.000 0.818 147 A HN 0.288 nan 8.150 nan 0.000 0.443 148 A N -0.181 122.715 122.820 0.127 0.000 1.902 148 A HA 0.142 4.489 4.320 0.046 0.000 0.217 148 A C 2.494 180.169 177.584 0.151 0.000 1.181 148 A CA 2.169 54.286 52.037 0.133 0.000 0.623 148 A CB -0.969 18.086 19.000 0.092 0.000 0.818 148 A HN 1.042 nan 8.150 nan 0.000 0.443 149 A N -0.222 122.659 122.820 0.102 0.000 1.898 149 A HA -0.140 4.208 4.320 0.046 0.000 0.216 149 A C 2.137 179.750 177.584 0.047 0.000 1.181 149 A CA 1.903 53.983 52.037 0.071 0.000 0.620 149 A CB -0.476 18.535 19.000 0.019 0.000 0.819 149 A HN 0.551 nan 8.150 nan 0.000 0.442 150 K N -1.038 119.366 120.400 0.006 0.000 2.063 150 K HA -0.211 4.136 4.320 0.046 0.000 0.208 150 K C 1.190 177.668 176.600 -0.204 0.000 1.048 150 K CA 1.709 57.920 56.287 -0.127 0.000 0.928 150 K CB -0.261 32.113 32.500 -0.209 0.000 0.713 150 K HN 0.668 nan 8.250 nan 0.000 0.442 151 H N 0.138 119.241 119.070 0.054 0.000 2.520 151 H HA 0.120 4.704 4.556 0.046 0.000 0.284 151 H C -0.146 175.241 175.328 0.097 0.000 1.037 151 H CA 0.165 56.243 56.048 0.050 0.000 1.168 151 H CB 0.562 30.336 29.762 0.021 0.000 1.497 151 H HN 0.308 nan 8.280 nan 0.000 0.547 152 Q N 0.276 120.219 119.800 0.239 0.000 2.463 152 Q HA -0.130 4.238 4.340 0.046 0.000 0.299 152 Q C -0.910 175.350 176.000 0.434 0.000 1.353 152 Q CA 0.121 56.144 55.803 0.366 0.000 0.828 152 Q CB -1.305 27.628 28.738 0.324 0.000 1.157 152 Q HN 0.101 nan 8.270 nan 0.000 0.436 153 V N 0.304 120.418 119.914 0.334 0.000 2.435 153 V HA 0.714 4.862 4.120 0.046 0.000 0.290 153 V C 0.508 176.745 176.094 0.238 0.000 1.030 153 V CA -0.123 62.344 62.300 0.279 0.000 0.881 153 V CB 1.727 33.631 31.823 0.136 0.000 0.983 153 V HN 0.407 nan 8.190 nan 0.000 0.445 154 A N 5.750 128.671 122.820 0.167 0.000 2.371 154 A HA 0.713 5.060 4.320 0.046 0.000 0.257 154 A C -0.428 177.170 177.584 0.023 0.000 1.089 154 A CA -0.307 51.766 52.037 0.060 0.000 0.794 154 A CB 0.233 19.146 19.000 -0.145 0.000 1.029 154 A HN 0.801 nan 8.150 nan 0.000 0.488 155 L N 1.550 122.782 121.223 0.016 0.000 2.295 155 L HA 0.369 4.736 4.340 0.046 0.000 0.285 155 L C 0.589 177.424 176.870 -0.058 0.000 1.035 155 L CA -0.395 54.432 54.840 -0.022 0.000 0.806 155 L CB 1.478 43.536 42.059 -0.002 0.000 1.214 155 L HN 0.896 nan 8.230 nan 0.000 0.426 156 E N 3.222 123.385 120.200 -0.062 0.000 2.338 156 E HA 0.218 4.595 4.350 0.046 0.000 0.272 156 E C -0.882 175.687 176.600 -0.052 0.000 1.029 156 E CA -0.685 55.678 56.400 -0.061 0.000 0.872 156 E CB 0.988 30.681 29.700 -0.011 0.000 1.015 156 E HN 0.316 nan 8.360 nan 0.000 0.417 157 I N 4.821 125.330 120.570 -0.102 0.000 2.315 157 I HA 0.228 4.426 4.170 0.046 0.000 0.291 157 I C 0.302 176.404 176.117 -0.025 0.000 1.006 157 I CA -0.299 60.950 61.300 -0.085 0.000 1.265 157 I CB 0.505 38.396 38.000 -0.183 0.000 1.387 157 I HN 0.581 nan 8.210 nan 0.000 0.475 163 L N 0.969 122.017 121.223 -0.292 0.000 2.240 163 L HA 0.206 4.574 4.340 0.046 0.000 0.211 163 L C 1.165 177.835 176.870 -0.334 0.000 1.106 163 L CA 1.577 56.193 54.840 -0.374 0.000 0.793 163 L CB -0.767 40.952 42.059 -0.566 0.000 0.927 163 L HN 0.718 nan 8.230 nan 0.000 0.446 173 C N 0.754 120.079 119.300 0.041 0.000 2.363 173 C HA -0.154 4.334 4.460 0.046 0.000 0.274 173 C C 2.761 177.765 174.990 0.023 0.000 1.183 173 C CA 1.445 60.479 59.018 0.027 0.000 1.771 173 C CB -0.531 27.225 27.740 0.027 0.000 2.059 173 C HN 0.534 nan 8.230 nan 0.000 0.455 174 R N -0.013 120.506 120.500 0.032 0.000 2.075 174 R HA -0.126 4.242 4.340 0.046 0.000 0.232 174 R C 2.330 178.656 176.300 0.044 0.000 1.126 174 R CA 1.659 57.782 56.100 0.038 0.000 0.963 174 R CB -0.398 29.925 30.300 0.038 0.000 0.858 174 R HN 0.651 nan 8.270 nan 0.000 0.435 175 E N -0.322 119.904 120.200 0.043 0.000 2.106 175 E HA -0.150 4.228 4.350 0.046 0.000 0.192 175 E C 1.772 178.403 176.600 0.051 0.000 0.984 175 E CA 1.230 57.657 56.400 0.047 0.000 0.806 175 E CB 0.241 29.968 29.700 0.046 0.000 0.750 175 E HN 0.155 nan 8.360 nan 0.000 0.458 176 V N 0.952 120.892 119.914 0.044 0.000 2.379 176 V HA -0.205 3.942 4.120 0.046 0.000 0.245 176 V C 2.386 178.509 176.094 0.047 0.000 1.044 176 V CA 1.674 63.999 62.300 0.041 0.000 1.036 176 V CB -0.582 31.257 31.823 0.026 0.000 0.664 176 V HN 0.379 nan 8.190 nan 0.000 0.453 177 A N 0.050 122.889 122.820 0.032 0.000 1.902 177 A HA -0.089 4.258 4.320 0.046 0.000 0.217 177 A C 2.377 180.079 177.584 0.196 0.000 1.181 177 A CA 2.050 54.114 52.037 0.044 0.000 0.623 177 A CB -0.709 18.288 19.000 -0.005 0.000 0.818 177 A HN 0.556 nan 8.150 nan 0.000 0.443 178 A N -0.386 122.512 122.820 0.131 0.000 1.968 178 A HA 0.282 4.629 4.320 0.046 0.000 0.217 178 A C 2.435 180.077 177.584 0.097 0.000 1.169 178 A CA 1.690 53.799 52.037 0.119 0.000 0.638 178 A CB -0.813 18.233 19.000 0.077 0.000 0.812 178 A HN 0.962 nan 8.150 nan 0.000 0.446 179 A N -0.429 122.443 122.820 0.086 0.000 1.898 179 A HA 0.025 4.373 4.320 0.046 0.000 0.216 179 A C 2.182 179.817 177.584 0.084 0.000 1.181 179 A CA 1.731 53.810 52.037 0.070 0.000 0.620 179 A CB -0.794 18.241 19.000 0.060 0.000 0.819 179 A HN 0.358 nan 8.150 nan 0.000 0.442 180 V N 0.154 120.152 119.914 0.139 0.000 2.358 180 V HA -0.231 3.917 4.120 0.046 0.000 0.246 180 V C 2.595 178.785 176.094 0.160 0.000 1.047 180 V CA 2.063 64.474 62.300 0.186 0.000 1.035 180 V CB -0.859 31.129 31.823 0.276 0.000 0.658 180 V HN 0.665 nan 8.190 nan 0.000 0.452 181 R N 0.399 121.014 120.500 0.192 0.000 2.112 181 R HA -0.241 4.127 4.340 0.046 0.000 0.242 181 R C 1.917 178.154 176.300 -0.105 0.000 1.137 181 R CA 2.482 58.520 56.100 -0.103 0.000 0.944 181 R CB -0.369 29.913 30.300 -0.031 0.000 0.857 181 R HN 0.515 nan 8.270 nan 0.000 0.435 182 D N -0.440 119.943 120.400 -0.029 0.000 2.249 182 D HA -0.005 4.663 4.640 0.046 0.000 0.205 182 D C 1.520 177.799 176.300 -0.035 0.000 0.962 182 D CA 1.125 55.103 54.000 -0.036 0.000 0.860 182 D CB -0.027 40.766 40.800 -0.011 0.000 0.955 182 D HN 0.387 nan 8.370 nan 0.000 0.505 183 A N 0.102 122.913 122.820 -0.015 0.000 2.119 183 A HA 0.329 4.677 4.320 0.046 0.000 0.216 183 A C 1.853 179.412 177.584 -0.043 0.000 1.152 183 A CA 1.342 53.370 52.037 -0.014 0.000 0.708 183 A CB -0.304 18.705 19.000 0.015 0.000 0.805 183 A HN 0.263 nan 8.150 nan 0.000 0.460 184 G N -2.103 106.651 108.800 -0.078 0.000 2.132 184 G HA2 -0.021 3.967 3.960 0.046 0.000 0.234 184 G HA3 -0.021 3.967 3.960 0.046 0.000 0.234 184 G C 0.718 175.520 174.900 -0.164 0.000 0.989 184 G CA 0.453 45.470 45.100 -0.138 0.000 0.676 184 G HN 1.297 nan 8.290 nan 0.000 0.522 185 G N -1.324 107.429 108.800 -0.079 0.000 2.535 185 G HA2 0.486 4.474 3.960 0.046 0.000 0.282 185 G HA3 0.486 4.474 3.960 0.046 0.000 0.282 185 G C -0.056 174.796 174.900 -0.080 0.000 1.350 185 G CA -0.780 44.289 45.100 -0.052 0.000 1.039 185 G HN 0.319 nan 8.290 nan 0.000 0.509 186 W N -0.635 120.686 121.300 0.036 0.000 2.381 186 W HA 0.472 5.145 4.660 0.021 0.000 0.329 186 W C 0.258 176.760 176.519 -0.028 0.000 1.157 186 W CA -0.719 56.615 57.345 -0.019 0.000 1.240 186 W CB 1.670 30.984 29.460 -0.243 0.000 1.199 186 W HN 0.349 nan 8.180 nan 0.000 0.579 187 V N 0.644 120.698 119.914 0.234 0.000 2.667 187 V HA 0.934 5.081 4.120 0.046 0.000 0.308 187 V C -0.320 175.701 176.094 -0.120 0.000 1.048 187 V CA -1.358 60.909 62.300 -0.056 0.000 0.928 187 V CB 1.031 32.619 31.823 -0.391 0.000 1.004 187 V HN 0.650 nan 8.190 nan 0.000 0.444 188 A N 4.676 127.387 122.820 -0.182 0.000 2.355 188 A HA 0.861 5.208 4.320 0.046 0.000 0.317 188 A C -0.681 176.722 177.584 -0.301 0.000 1.094 188 A CA -0.788 51.108 52.037 -0.236 0.000 0.764 188 A CB 1.152 20.036 19.000 -0.194 0.000 1.230 188 A HN 0.967 nan 8.150 nan 0.000 0.448 189 L N 1.886 122.825 121.223 -0.474 0.000 2.312 189 L HA 0.696 5.064 4.340 0.046 0.000 0.281 189 L C 0.688 177.217 176.870 -0.568 0.000 1.070 189 L CA -0.217 54.184 54.840 -0.732 0.000 0.805 189 L CB 1.764 42.971 42.059 -1.420 0.000 1.174 189 L HN 0.831 nan 8.230 nan 0.000 0.434 190 G N -0.289 108.361 108.800 -0.250 0.000 2.740 190 G HA2 0.349 4.337 3.960 0.046 0.000 0.296 190 G HA3 0.349 4.337 3.960 0.046 0.000 0.296 190 G C 0.247 175.318 174.900 0.286 0.000 1.439 190 G CA -0.003 45.164 45.100 0.111 0.000 1.066 190 G HN 0.615 nan 8.290 nan 0.000 0.527 191 S N 1.212 117.136 115.700 0.374 0.000 2.461 191 S HA -0.003 4.495 4.470 0.046 0.000 0.228 191 S C 1.071 175.733 174.600 0.103 0.000 1.005 191 S CA 1.127 59.487 58.200 0.266 0.000 0.942 191 S CB -0.053 63.261 63.200 0.191 0.000 0.776 191 S HN 0.866 nan 8.310 nan 0.000 0.514 192 D N 1.134 121.457 120.400 -0.129 0.000 2.751 192 D HA -0.149 4.518 4.640 0.046 0.000 0.233 192 D C -0.794 175.632 176.300 0.211 0.000 1.149 192 D CA 0.548 54.388 54.000 -0.267 0.000 0.682 192 D CB -1.896 38.846 40.800 -0.096 0.000 1.068 192 D HN 0.449 nan 8.370 nan 0.000 0.429 193 S N -0.514 115.298 115.700 0.188 0.000 2.537 193 S HA 0.046 4.543 4.470 0.046 0.000 0.286 193 S C 0.910 175.732 174.600 0.370 0.000 1.299 193 S CA -0.080 58.304 58.200 0.306 0.000 1.067 193 S CB 0.598 63.987 63.200 0.314 0.000 0.864 193 S HN 0.355 nan 8.310 nan 0.000 0.494 194 H N 0.310 119.571 119.070 0.319 0.000 2.755 194 H HA 0.229 4.812 4.556 0.046 0.000 0.273 194 H C 0.899 176.446 175.328 0.364 0.000 1.055 194 H CA 0.358 56.604 56.048 0.330 0.000 1.191 194 H CB 0.675 30.595 29.762 0.264 0.000 1.536 194 H HN 0.647 nan 8.280 nan 0.000 0.529 195 T N -3.567 111.228 114.554 0.401 0.000 2.901 195 T HA 0.600 4.978 4.350 0.046 0.000 0.293 195 T C 1.212 175.908 174.700 -0.007 0.000 1.084 195 T CA -0.409 61.823 62.100 0.220 0.000 1.008 195 T CB 1.878 70.942 68.868 0.327 0.000 1.170 195 T HN 0.000 nan 8.240 nan 0.000 0.509 196 A N 0.353 122.867 122.820 -0.511 0.000 2.172 196 A HA 0.198 4.545 4.320 0.046 0.000 0.216 196 A C 1.455 178.791 177.584 -0.413 0.000 1.154 196 A CA 0.622 52.222 52.037 -0.727 0.000 0.701 196 A CB -1.180 17.163 19.000 -1.096 0.000 0.789 196 A HN 0.771 nan 8.150 nan 0.000 0.465 197 F N 0.508 120.399 119.950 -0.098 0.000 2.407 197 F HA -0.062 4.493 4.527 0.046 0.000 0.299 197 F C 2.386 178.167 175.800 -0.032 0.000 1.097 197 F CA 1.597 59.560 58.000 -0.063 0.000 1.422 197 F CB -0.329 38.639 39.000 -0.054 0.000 1.067 197 F HN 0.296 nan 8.300 nan 0.000 0.539 198 T N -2.879 111.763 114.554 0.147 0.000 3.145 198 T HA 0.175 4.553 4.350 0.046 0.000 0.255 198 T C 0.655 175.377 174.700 0.038 0.000 1.039 198 T CA -0.303 61.851 62.100 0.090 0.000 0.928 198 T CB -0.436 68.502 68.868 0.118 0.000 1.029 198 T HN 0.093 nan 8.240 nan 0.000 0.554 199 M N 2.206 121.827 119.600 0.034 0.000 2.260 199 M HA 0.322 4.830 4.480 0.046 0.000 0.348 199 M C 1.399 177.646 176.300 -0.089 0.000 1.342 199 M CA 1.650 56.965 55.300 0.025 0.000 1.040 199 M CB -0.175 32.435 32.600 0.017 0.000 1.810 199 M HN 0.634 nan 8.290 nan 0.000 0.453 200 G N 3.558 112.276 108.800 -0.137 0.000 2.155 200 G HA2 -0.256 3.732 3.960 0.046 0.000 0.257 200 G HA3 -0.256 3.732 3.960 0.046 0.000 0.257 200 G C -0.317 174.014 174.900 -0.949 0.000 0.983 200 G CA 0.429 45.257 45.100 -0.453 0.000 0.676 200 G HN 0.789 nan 8.290 nan 0.000 0.528 201 E N -0.063 119.775 120.200 -0.603 0.000 2.014 201 E HA 0.500 4.877 4.350 0.046 0.000 0.275 201 E C -0.126 176.235 176.600 -0.399 0.000 0.997 201 E CA -0.597 55.526 56.400 -0.461 0.000 0.804 201 E CB 0.073 29.679 29.700 -0.157 0.000 1.090 201 E HN 0.471 nan 8.360 nan 0.000 0.401 202 F N 0.566 120.542 119.950 0.042 0.000 2.790 202 F HA 0.295 4.849 4.527 0.045 0.000 0.371 202 F C 1.249 177.058 175.800 0.015 0.000 1.293 202 F CA -0.613 57.396 58.000 0.016 0.000 1.205 202 F CB 0.040 39.024 39.000 -0.027 0.000 1.047 202 F HN 0.323 nan 8.300 nan 0.000 0.510 203 E N 1.932 122.206 120.200 0.124 0.000 2.209 203 E HA -0.195 4.183 4.350 0.046 0.000 0.196 203 E C 1.911 178.570 176.600 0.098 0.000 0.993 203 E CA 1.507 57.973 56.400 0.110 0.000 0.819 203 E CB 0.207 29.944 29.700 0.062 0.000 0.745 203 E HN 0.629 nan 8.360 nan 0.000 0.477 204 E N -0.044 120.210 120.200 0.091 0.000 2.265 204 E HA -0.178 4.199 4.350 0.046 0.000 0.196 204 E C 1.867 178.503 176.600 0.060 0.000 0.996 204 E CA 1.336 57.778 56.400 0.069 0.000 0.832 204 E CB -0.406 29.334 29.700 0.067 0.000 0.756 204 E HN 0.433 nan 8.360 nan 0.000 0.491 205 C N -0.711 118.626 119.300 0.061 0.000 3.123 205 C HA 0.401 4.888 4.460 0.046 0.000 0.399 205 C C 2.679 177.680 174.990 0.018 0.000 1.320 205 C CA -0.575 58.459 59.018 0.026 0.000 1.949 205 C CB -0.820 26.919 27.740 -0.003 0.000 2.692 205 C HN 0.178 nan 8.230 nan 0.000 0.623 206 L N 2.662 123.912 121.223 0.044 0.000 2.064 206 L HA -0.280 4.088 4.340 0.046 0.000 0.216 206 L C 2.875 179.789 176.870 0.073 0.000 1.077 206 L CA 2.460 57.340 54.840 0.066 0.000 0.766 206 L CB -0.633 41.512 42.059 0.144 0.000 0.890 206 L HN 0.571 nan 8.230 nan 0.000 0.435 207 K N -0.262 120.179 120.400 0.068 0.000 2.026 207 K HA -0.171 4.176 4.320 0.046 0.000 0.208 207 K C 2.012 178.646 176.600 0.056 0.000 1.048 207 K CA 1.213 57.537 56.287 0.063 0.000 0.929 207 K CB -0.340 32.193 32.500 0.054 0.000 0.713 207 K HN 0.175 nan 8.250 nan 0.000 0.439 208 I N 2.054 122.651 120.570 0.045 0.000 2.286 208 I HA -0.183 4.014 4.170 0.046 0.000 0.248 208 I C 2.461 178.609 176.117 0.052 0.000 1.115 208 I CA 1.194 62.519 61.300 0.042 0.000 1.392 208 I CB -0.918 37.100 38.000 0.030 0.000 1.065 208 I HN 0.176 nan 8.210 nan 0.000 0.418 209 L N 0.317 121.563 121.223 0.039 0.000 2.079 209 L HA -0.256 4.111 4.340 0.046 0.000 0.210 209 L C 2.209 179.159 176.870 0.134 0.000 1.081 209 L CA 1.688 56.568 54.840 0.067 0.000 0.752 209 L CB -0.541 41.509 42.059 -0.016 0.000 0.896 209 L HN 0.255 nan 8.230 nan 0.000 0.433 210 D N -0.346 120.117 120.400 0.105 0.000 2.123 210 D HA -0.129 4.539 4.640 0.046 0.000 0.200 210 D C 2.195 178.545 176.300 0.084 0.000 0.976 210 D CA 1.152 55.214 54.000 0.103 0.000 0.831 210 D CB 0.143 40.997 40.800 0.090 0.000 0.974 210 D HN 0.218 nan 8.370 nan 0.000 0.469 211 A N 0.388 123.251 122.820 0.071 0.000 1.869 211 A HA -0.204 4.144 4.320 0.046 0.000 0.218 211 A C 2.336 179.958 177.584 0.064 0.000 1.203 211 A CA 2.526 54.599 52.037 0.059 0.000 0.638 211 A CB -1.453 17.578 19.000 0.051 0.000 0.831 211 A HN 0.497 nan 8.150 nan 0.000 0.450 212 V N -2.860 117.103 119.914 0.081 0.000 3.590 212 V HA 0.081 4.229 4.120 0.046 0.000 0.272 212 V C -0.154 175.994 176.094 0.090 0.000 1.233 212 V CA 0.752 63.104 62.300 0.086 0.000 1.182 212 V CB -1.426 30.461 31.823 0.107 0.000 0.901 212 V HN 0.566 nan 8.190 nan 0.000 0.485 213 D N -0.159 120.294 120.400 0.088 0.000 2.689 213 D HA -0.250 4.418 4.640 0.046 0.000 0.237 213 D C -0.235 176.110 176.300 0.074 0.000 1.148 213 D CA 0.877 54.917 54.000 0.067 0.000 0.656 213 D CB -1.203 39.610 40.800 0.021 0.000 1.050 213 D HN 0.673 nan 8.370 nan 0.000 0.426 214 F N 1.635 121.591 119.950 0.010 0.000 2.495 214 F HA 0.232 4.784 4.527 0.041 0.000 0.365 214 F C -1.563 174.241 175.800 0.006 0.000 1.090 214 F CA -1.574 56.427 58.000 0.002 0.000 1.235 214 F CB 0.710 39.712 39.000 0.002 0.000 1.119 214 F HN -0.135 nan 8.300 nan 0.000 0.562 215 P HA 0.134 nan 4.420 nan 0.000 0.276 215 P C -2.402 174.918 177.300 0.034 0.000 1.253 215 P CA -1.400 61.573 63.100 -0.212 0.000 0.766 215 P CB 0.910 32.391 31.700 -0.365 0.000 0.845 216 P HA -0.209 nan 4.420 nan 0.000 0.216 216 P C 1.428 178.843 177.300 0.191 0.000 1.150 216 P CA 1.593 64.819 63.100 0.210 0.000 0.843 216 P CB -0.081 31.707 31.700 0.147 0.000 0.787 217 E N 0.049 120.304 120.200 0.090 0.000 2.219 217 E HA -0.193 4.185 4.350 0.046 0.000 0.198 217 E C 1.219 177.866 176.600 0.078 0.000 0.998 217 E CA 1.095 57.536 56.400 0.069 0.000 0.818 217 E CB -0.741 28.947 29.700 -0.021 0.000 0.741 217 E HN 0.246 nan 8.360 nan 0.000 0.477 218 R N 0.640 121.182 120.500 0.071 0.000 2.466 218 R HA 0.381 4.749 4.340 0.046 0.000 0.279 218 R C 0.308 176.908 176.300 0.500 0.000 0.976 218 R CA -0.193 55.930 56.100 0.039 0.000 1.081 218 R CB 0.141 30.331 30.300 -0.183 0.000 1.215 218 R HN 0.230 nan 8.270 nan 0.000 0.546 219 I N 1.561 122.401 120.570 0.450 0.000 2.304 219 I HA 0.098 4.296 4.170 0.046 0.000 0.291 219 I C 1.502 177.763 176.117 0.239 0.000 1.018 219 I CA -0.321 61.139 61.300 0.267 0.000 1.260 219 I CB 1.424 39.524 38.000 0.166 0.000 1.390 219 I HN -0.100 nan 8.210 nan 0.000 0.475 220 L N 5.199 126.467 121.223 0.074 0.000 2.141 220 L HA -0.168 4.199 4.340 0.046 0.000 0.209 220 L C 1.622 178.467 176.870 -0.041 0.000 1.094 220 L CA 1.433 56.198 54.840 -0.126 0.000 0.763 220 L CB -0.451 41.354 42.059 -0.423 0.000 0.908 220 L HN 0.659 nan 8.230 nan 0.000 0.437 221 N N -0.840 117.841 118.700 -0.032 0.000 2.609 221 N HA -0.098 4.669 4.740 0.046 0.000 0.190 221 N C 1.614 177.284 175.510 0.266 0.000 1.157 221 N CA 0.324 53.402 53.050 0.048 0.000 0.918 221 N CB -0.172 38.246 38.487 -0.114 0.000 0.978 221 N HN 0.052 nan 8.380 nan 0.000 0.448 222 V N -0.404 119.685 119.914 0.291 0.000 2.469 222 V HA -0.120 4.028 4.120 0.046 0.000 0.251 222 V C 0.894 177.061 176.094 0.121 0.000 1.064 222 V CA 1.406 63.856 62.300 0.250 0.000 1.066 222 V CB -0.690 31.258 31.823 0.209 0.000 0.667 222 V HN 0.552 nan 8.190 nan 0.000 0.461 223 S N -3.820 111.938 115.700 0.096 0.000 2.552 223 S HA 0.427 4.925 4.470 0.046 0.000 0.272 223 S C -2.485 172.133 174.600 0.030 0.000 1.150 223 S CA -0.923 57.310 58.200 0.056 0.000 0.849 223 S CB 1.643 64.871 63.200 0.048 0.000 1.113 223 S HN -0.082 nan 8.310 nan 0.000 0.458 224 P HA -0.110 nan 4.420 nan 0.000 0.216 224 P C 1.579 178.868 177.300 -0.018 0.000 1.153 224 P CA 1.236 64.313 63.100 -0.038 0.000 0.858 224 P CB 0.036 31.694 31.700 -0.071 0.000 0.789 225 R N 0.026 120.532 120.500 0.010 0.000 2.092 225 R HA -0.074 4.293 4.340 0.046 0.000 0.231 225 R C 2.400 178.719 176.300 0.033 0.000 1.119 225 R CA 1.471 57.588 56.100 0.028 0.000 0.970 225 R CB -0.939 29.385 30.300 0.039 0.000 0.864 225 R HN -0.012 nan 8.270 nan 0.000 0.440 226 R N -0.165 120.356 120.500 0.036 0.000 2.073 226 R HA -0.091 4.276 4.340 0.046 0.000 0.234 226 R C 2.009 178.290 176.300 -0.032 0.000 1.134 226 R CA 1.511 57.634 56.100 0.038 0.000 0.952 226 R CB -0.466 29.877 30.300 0.070 0.000 0.850 226 R HN 0.304 nan 8.270 nan 0.000 0.433 227 L N 1.294 122.487 121.223 -0.051 0.000 2.017 227 L HA -0.152 4.215 4.340 0.046 0.000 0.208 227 L C 2.045 178.912 176.870 -0.005 0.000 1.073 227 L CA 1.717 56.516 54.840 -0.070 0.000 0.745 227 L CB -0.911 41.102 42.059 -0.076 0.000 0.894 227 L HN 0.358 nan 8.230 nan 0.000 0.432 228 L N 0.147 121.368 121.223 -0.004 0.000 2.042 228 L HA -0.259 4.108 4.340 0.046 0.000 0.210 228 L C 2.393 179.267 176.870 0.007 0.000 1.076 228 L CA 1.278 56.128 54.840 0.017 0.000 0.749 228 L CB -0.781 41.315 42.059 0.062 0.000 0.893 228 L HN 0.356 nan 8.230 nan 0.000 0.432 229 N N -0.044 118.670 118.700 0.024 0.000 2.104 229 N HA -0.232 4.536 4.740 0.046 0.000 0.190 229 N C 1.666 177.189 175.510 0.021 0.000 1.024 229 N CA 1.327 54.396 53.050 0.032 0.000 0.853 229 N CB -0.422 38.104 38.487 0.064 0.000 1.008 229 N HN 0.246 nan 8.380 nan 0.000 0.424 230 F N 1.651 121.498 119.950 -0.172 0.000 2.075 230 F HA -0.068 4.482 4.527 0.038 0.000 0.297 230 F C 2.034 177.728 175.800 -0.177 0.000 1.113 230 F CA 1.157 58.999 58.000 -0.263 0.000 1.218 230 F CB -0.516 38.135 39.000 -0.581 0.000 0.984 230 F HN -0.053 nan 8.300 nan 0.000 0.472 231 L N 0.128 121.138 121.223 -0.356 0.000 2.079 231 L HA -0.216 4.152 4.340 0.046 0.000 0.210 231 L C 2.424 179.122 176.870 -0.288 0.000 1.081 231 L CA 1.786 56.351 54.840 -0.458 0.000 0.752 231 L CB -0.849 41.027 42.059 -0.305 0.000 0.896 231 L HN 0.230 nan 8.230 nan 0.000 0.433 232 E N -0.026 120.075 120.200 -0.165 0.000 2.077 232 E HA -0.199 4.179 4.350 0.046 0.000 0.193 232 E C 2.297 178.834 176.600 -0.105 0.000 0.989 232 E CA 1.540 57.880 56.400 -0.101 0.000 0.800 232 E CB -0.106 29.566 29.700 -0.047 0.000 0.746 232 E HN 0.538 nan 8.360 nan 0.000 0.452 233 S N 0.875 116.505 115.700 -0.117 0.000 2.419 233 S HA -0.109 4.389 4.470 0.046 0.000 0.235 233 S C 1.754 176.272 174.600 -0.137 0.000 1.019 233 S CA 0.701 58.851 58.200 -0.084 0.000 0.982 233 S CB -0.103 63.092 63.200 -0.008 0.000 0.789 233 S HN 0.093 nan 8.310 nan 0.000 0.490 234 R N 1.026 121.375 120.500 -0.251 0.000 2.310 234 R HA 0.259 4.626 4.340 0.046 0.000 0.202 234 R C 1.492 177.726 176.300 -0.110 0.000 0.933 234 R CA 0.648 56.627 56.100 -0.202 0.000 1.054 234 R CB -0.369 29.765 30.300 -0.277 0.000 0.985 234 R HN 0.693 nan 8.270 nan 0.000 0.489 235 G N 0.799 109.542 108.800 -0.095 0.000 2.175 235 G HA2 -0.220 3.768 3.960 0.046 0.000 0.182 235 G HA3 -0.220 3.768 3.960 0.046 0.000 0.182 235 G C 0.046 174.911 174.900 -0.058 0.000 1.003 235 G CA -0.075 44.984 45.100 -0.068 0.000 0.666 235 G HN 0.288 nan 8.290 nan 0.000 0.506 236 M N 1.944 121.505 119.600 -0.066 0.000 2.162 236 M HA 0.674 5.182 4.480 0.046 0.000 0.356 236 M C 0.809 177.077 176.300 -0.055 0.000 1.303 236 M CA -0.052 55.213 55.300 -0.058 0.000 1.116 236 M CB 0.840 33.392 32.600 -0.079 0.000 1.632 236 M HN 0.672 nan 8.290 nan 0.000 0.469 237 A N 7.190 129.980 122.820 -0.050 0.000 2.511 237 A HA 0.428 4.776 4.320 0.046 0.000 0.242 237 A C -2.433 175.119 177.584 -0.054 0.000 1.069 237 A CA -1.065 50.942 52.037 -0.049 0.000 0.763 237 A CB -0.840 18.130 19.000 -0.050 0.000 1.001 237 A HN 0.615 nan 8.150 nan 0.000 0.498 238 P HA 0.128 nan 4.420 nan 0.000 0.266 238 P C -0.651 176.601 177.300 -0.080 0.000 1.195 238 P CA 0.376 63.452 63.100 -0.041 0.000 0.768 238 P CB 0.291 31.975 31.700 -0.027 0.000 0.838 239 I N 2.181 122.688 120.570 -0.106 0.000 2.287 239 I HA 0.156 4.354 4.170 0.046 0.000 0.290 239 I C 1.455 177.433 176.117 -0.232 0.000 1.069 239 I CA -0.315 60.826 61.300 -0.265 0.000 1.237 239 I CB 1.015 38.682 38.000 -0.554 0.000 1.418 239 I HN 0.401 nan 8.210 nan 0.000 0.481 240 A N 4.752 127.468 122.820 -0.174 0.000 1.978 240 A HA -0.172 4.176 4.320 0.046 0.000 0.220 240 A C 1.967 179.494 177.584 -0.096 0.000 1.170 240 A CA 1.490 53.467 52.037 -0.101 0.000 0.636 240 A CB -0.270 18.683 19.000 -0.079 0.000 0.810 240 A HN 0.728 nan 8.150 nan 0.000 0.448 241 E N -0.797 119.288 120.200 -0.192 0.000 2.265 241 E HA -0.099 4.278 4.350 0.046 0.000 0.196 241 E C 0.770 177.410 176.600 0.067 0.000 0.996 241 E CA 0.852 57.184 56.400 -0.114 0.000 0.832 241 E CB -0.239 29.351 29.700 -0.183 0.000 0.756 241 E HN 0.668 nan 8.360 nan 0.000 0.491 242 F N -0.262 119.682 119.950 -0.011 0.000 2.732 242 F HA 0.366 4.919 4.527 0.043 0.000 0.303 242 F C 1.851 177.650 175.800 -0.003 0.000 1.110 242 F CA -0.454 57.541 58.000 -0.009 0.000 1.355 242 F CB -0.883 38.107 39.000 -0.017 0.000 1.081 242 F HN -0.018 nan 8.300 nan 0.000 0.565 243 A N 0.033 122.939 122.820 0.144 0.000 1.948 243 A HA -0.204 4.143 4.320 0.046 0.000 0.220 243 A C 1.673 179.304 177.584 0.078 0.000 1.177 243 A CA 2.109 54.198 52.037 0.087 0.000 0.636 243 A CB -0.503 18.525 19.000 0.046 0.000 0.815 243 A HN 0.192 nan 8.150 nan 0.000 0.449 244 D N -0.716 119.733 120.400 0.081 0.000 2.325 244 D HA 0.268 4.935 4.640 0.046 0.000 0.225 244 D C 0.545 176.877 176.300 0.055 0.000 1.096 244 D CA -0.009 54.026 54.000 0.059 0.000 0.844 244 D CB 0.016 40.846 40.800 0.049 0.000 0.925 244 D HN 0.403 nan 8.370 nan 0.000 0.513 245 L N 0.000 121.262 121.223 0.064 0.000 2.949 245 L HA 0.000 4.368 4.340 0.046 0.000 0.249 245 L CA 0.000 54.856 54.840 0.026 0.000 0.813 245 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 245 L HN 0.000 nan 8.230 nan 0.000 0.502