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 2bm9_1_C DATA FIRST_RESID 3 DATA SEQUENCE DYSRQNFQDL NLFRGLGEDP AYHPPVLTDR PRDWPLDRWA EAPRDLGYSD DATA SEQUENCE FSPYQWRGLR MLKDPDTQAV YHDMLWELRP RTIVELGVYN GGSLAWFRDL DATA SEQUENCE TKIMGIDCQV IGIDRDLSRC QIPASDMENI TLHQGDCSDL TTFEHLREMA DATA SEQUENCE HPLIFIDNAH ANTFNIMKWA VDHLLEEGDY FIIEDMIPYW YRYAPQLFSE DATA SEQUENCE YLGAFRDVLS MDMLYANASS QLDRGVLRRV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.383 176.300 0.138 0.000 2.045 3 D CA 0.000 54.065 54.000 0.109 0.000 0.868 3 D CB 0.000 40.792 40.800 -0.014 0.000 0.688 4 Y N -0.091 120.263 120.300 0.091 0.000 2.506 4 Y HA 0.167 4.718 4.550 0.002 0.000 0.287 4 Y C 2.159 178.134 175.900 0.125 0.000 1.147 4 Y CA 0.908 59.114 58.100 0.177 0.000 1.241 4 Y CB -0.719 37.873 38.460 0.221 0.000 1.279 4 Y HN 0.209 nan 8.280 nan 0.000 0.527 5 S N 0.613 115.950 115.700 -0.604 0.000 2.493 5 S HA -0.126 4.346 4.470 0.002 0.000 0.243 5 S C 1.496 176.004 174.600 -0.153 0.000 0.991 5 S CA 1.087 59.089 58.200 -0.329 0.000 0.957 5 S CB -0.442 62.466 63.200 -0.487 0.000 0.756 5 S HN 0.529 nan 8.310 nan 0.000 0.521 6 R N 0.867 121.272 120.500 -0.157 0.000 2.074 6 R HA 0.260 4.602 4.340 0.002 0.000 0.218 6 R C 1.174 177.379 176.300 -0.158 0.000 1.137 6 R CA 0.376 56.400 56.100 -0.127 0.000 0.998 6 R CB -0.352 29.881 30.300 -0.112 0.000 0.895 6 R HN 0.461 nan 8.270 nan 0.000 0.442 7 Q N 1.394 121.064 119.800 -0.218 0.000 2.369 7 Q HA -0.045 4.296 4.340 0.002 0.000 0.295 7 Q C -0.872 174.747 176.000 -0.635 0.000 1.075 7 Q CA 0.585 56.153 55.803 -0.392 0.000 0.941 7 Q CB 0.440 28.905 28.738 -0.455 0.000 1.260 7 Q HN 0.126 nan 8.270 nan 0.000 0.417 8 N N 1.788 120.184 118.700 -0.507 0.000 2.443 8 N HA 0.389 5.130 4.740 0.002 0.000 0.295 8 N C -1.638 173.593 175.510 -0.465 0.000 1.076 8 N CA -0.541 52.238 53.050 -0.453 0.000 0.919 8 N CB 0.723 39.112 38.487 -0.163 0.000 1.176 8 N HN 0.347 nan 8.380 nan 0.000 0.487 9 F N 1.481 121.459 119.950 0.046 0.000 2.402 9 F HA 0.318 4.846 4.527 0.002 0.000 0.355 9 F C 0.536 176.366 175.800 0.050 0.000 1.123 9 F CA -0.927 57.106 58.000 0.055 0.000 1.021 9 F CB 1.311 40.342 39.000 0.052 0.000 1.160 9 F HN 0.265 nan 8.300 nan 0.000 0.451 10 Q N 1.261 121.190 119.800 0.215 0.000 2.395 10 Q HA -0.016 4.325 4.340 0.002 0.000 0.271 10 Q C -0.338 175.731 176.000 0.115 0.000 1.026 10 Q CA 0.054 55.939 55.803 0.136 0.000 0.900 10 Q CB 0.395 29.230 28.738 0.162 0.000 1.266 10 Q HN 0.461 nan 8.270 nan 0.000 0.430 11 D N 1.939 122.351 120.400 0.020 0.000 2.356 11 D HA -0.053 4.588 4.640 0.002 0.000 0.272 11 D C 0.149 176.397 176.300 -0.088 0.000 1.337 11 D CA 0.152 54.141 54.000 -0.019 0.000 0.970 11 D CB 0.440 41.211 40.800 -0.049 0.000 1.092 11 D HN 0.440 nan 8.370 nan 0.000 0.516 12 L N 3.904 125.135 121.223 0.013 0.000 2.450 12 L HA -0.107 4.234 4.340 0.002 0.000 0.224 12 L C 1.772 178.642 176.870 -0.002 0.000 1.149 12 L CA 0.849 55.747 54.840 0.097 0.000 0.816 12 L CB -0.382 41.782 42.059 0.175 0.000 0.932 12 L HN 0.468 nan 8.230 nan 0.000 0.449 13 N N -0.906 117.753 118.700 -0.068 0.000 2.520 13 N HA -0.122 4.620 4.740 0.002 0.000 0.185 13 N C 1.654 177.081 175.510 -0.140 0.000 1.068 13 N CA 0.614 53.622 53.050 -0.070 0.000 0.911 13 N CB -0.056 38.400 38.487 -0.053 0.000 0.961 13 N HN 0.224 nan 8.380 nan 0.000 0.446 14 L N 0.004 121.035 121.223 -0.321 0.000 2.191 14 L HA -0.027 4.314 4.340 0.002 0.000 0.212 14 L C 1.344 178.017 176.870 -0.327 0.000 1.103 14 L CA 1.213 55.820 54.840 -0.388 0.000 0.769 14 L CB -0.918 40.792 42.059 -0.582 0.000 0.908 14 L HN 0.118 nan 8.230 nan 0.000 0.438 15 F N -1.075 118.877 119.950 0.004 0.000 2.811 15 F HA 0.102 4.631 4.527 0.003 0.000 0.301 15 F C 1.360 177.141 175.800 -0.032 0.000 1.151 15 F CA -0.408 57.587 58.000 -0.007 0.000 1.412 15 F CB -0.349 38.650 39.000 -0.001 0.000 1.113 15 F HN -0.117 nan 8.300 nan 0.000 0.579 16 R N 1.295 121.841 120.500 0.076 0.000 2.473 16 R HA 0.140 4.481 4.340 0.002 0.000 0.315 16 R C 1.224 177.557 176.300 0.055 0.000 0.972 16 R CA 1.003 57.126 56.100 0.037 0.000 1.047 16 R CB -0.208 30.092 30.300 -0.000 0.000 0.932 16 R HN 0.494 nan 8.270 nan 0.000 0.411 17 G N 3.413 112.278 108.800 0.107 0.000 2.162 17 G HA2 -0.277 3.685 3.960 0.002 0.000 0.260 17 G HA3 -0.277 3.685 3.960 0.002 0.000 0.260 17 G C 0.297 175.343 174.900 0.244 0.000 0.976 17 G CA 0.513 45.736 45.100 0.205 0.000 0.655 17 G HN 0.593 nan 8.290 nan 0.000 0.533 18 L N -1.280 120.076 121.223 0.222 0.000 2.691 18 L HA 0.627 4.969 4.340 0.002 0.000 0.185 18 L C 1.462 178.519 176.870 0.312 0.000 1.081 18 L CA 0.520 55.382 54.840 0.037 0.000 0.865 18 L CB 0.092 41.914 42.059 -0.394 0.000 1.370 18 L HN 1.301 nan 8.230 nan 0.000 0.488 19 G N 0.427 109.411 108.800 0.306 0.000 2.541 19 G HA2 -0.134 3.827 3.960 0.002 0.000 0.686 19 G HA3 -0.134 3.827 3.960 0.002 0.000 0.686 19 G C -0.084 174.886 174.900 0.117 0.000 1.286 19 G CA -0.114 45.126 45.100 0.233 0.000 0.894 19 G HN 0.152 nan 8.290 nan 0.000 0.575 20 E N -0.350 119.760 120.200 -0.150 0.000 2.006 20 E HA -0.042 4.310 4.350 0.002 0.000 0.192 20 E C 0.390 177.008 176.600 0.030 0.000 0.993 20 E CA 0.945 57.123 56.400 -0.370 0.000 0.808 20 E CB 0.135 29.603 29.700 -0.386 0.000 0.764 20 E HN 0.428 nan 8.360 nan 0.000 0.449 21 D N 0.689 121.141 120.400 0.087 0.000 2.317 21 D HA 0.072 4.713 4.640 0.002 0.000 0.234 21 D C -1.617 174.779 176.300 0.159 0.000 1.112 21 D CA -2.299 51.782 54.000 0.134 0.000 0.840 21 D CB 1.501 42.391 40.800 0.150 0.000 1.078 21 D HN -0.124 nan 8.370 nan 0.000 0.486 22 P HA 0.007 nan 4.420 nan 0.000 0.223 22 P C 0.156 177.380 177.300 -0.127 0.000 1.151 22 P CA 0.130 63.144 63.100 -0.143 0.000 0.787 22 P CB 0.240 31.651 31.700 -0.482 0.000 0.788 23 A N 0.246 123.013 122.820 -0.088 0.000 2.440 23 A HA 0.108 4.429 4.320 0.002 0.000 0.251 23 A C -0.255 177.206 177.584 -0.204 0.000 1.089 23 A CA -0.325 51.624 52.037 -0.147 0.000 0.779 23 A CB -0.591 18.297 19.000 -0.186 0.000 1.022 23 A HN 0.121 nan 8.150 nan 0.000 0.492 24 Y N 1.727 121.851 120.300 -0.294 0.000 2.578 24 Y HA 0.318 4.869 4.550 0.002 0.000 0.339 24 Y C 0.170 175.763 175.900 -0.511 0.000 1.231 24 Y CA 0.822 58.765 58.100 -0.261 0.000 1.461 24 Y CB 0.225 38.594 38.460 -0.150 0.000 1.323 24 Y HN 0.744 nan 8.280 nan 0.000 0.590 25 H N 5.057 123.601 119.070 -0.876 0.000 2.865 25 H HA 0.358 4.915 4.556 0.002 0.000 0.362 25 H C -2.425 172.199 175.328 -1.174 0.000 1.114 25 H CA -2.054 53.504 56.048 -0.815 0.000 1.208 25 H CB 1.670 31.212 29.762 -0.366 0.000 1.727 25 H HN 0.489 nan 8.280 nan 0.000 0.534 26 P HA 0.172 nan 4.420 nan 0.000 0.276 26 P C -2.528 174.581 177.300 -0.319 0.000 1.244 26 P CA -1.552 61.276 63.100 -0.453 0.000 0.801 26 P CB 0.201 31.816 31.700 -0.142 0.000 1.006 27 P HA 0.156 nan 4.420 nan 0.000 0.269 27 P C -0.735 176.430 177.300 -0.226 0.000 1.209 27 P CA 0.056 62.902 63.100 -0.423 0.000 0.776 27 P CB 0.391 31.462 31.700 -1.047 0.000 0.876 28 V N 4.551 124.386 119.914 -0.131 0.000 2.444 28 V HA 0.191 4.313 4.120 0.002 0.000 0.294 28 V C -0.386 175.719 176.094 0.018 0.000 1.022 28 V CA -0.833 61.437 62.300 -0.051 0.000 0.850 28 V CB 1.438 33.227 31.823 -0.057 0.000 0.992 28 V HN 0.326 nan 8.190 nan 0.000 0.426 29 L N 5.562 126.813 121.223 0.046 0.000 2.397 29 L HA 0.425 4.766 4.340 0.002 0.000 0.271 29 L C 1.363 178.268 176.870 0.058 0.000 1.148 29 L CA 0.812 55.703 54.840 0.085 0.000 0.825 29 L CB 1.236 43.355 42.059 0.099 0.000 1.117 29 L HN 0.892 nan 8.230 nan 0.000 0.456 30 T N -1.828 112.762 114.554 0.061 0.000 3.205 30 T HA 0.025 4.376 4.350 0.002 0.000 0.238 30 T C 0.835 175.564 174.700 0.048 0.000 0.974 30 T CA 0.369 62.495 62.100 0.042 0.000 1.246 30 T CB -0.187 68.701 68.868 0.033 0.000 1.007 30 T HN 0.535 nan 8.240 nan 0.000 0.414 31 D N 2.400 122.834 120.400 0.056 0.000 2.338 31 D HA 0.112 4.754 4.640 0.002 0.000 0.239 31 D C 0.214 176.582 176.300 0.112 0.000 1.095 31 D CA -0.181 53.858 54.000 0.066 0.000 0.888 31 D CB -0.156 40.674 40.800 0.050 0.000 0.899 31 D HN 0.389 nan 8.370 nan 0.000 0.525 32 R N -0.468 120.110 120.500 0.130 0.000 2.692 32 R HA 0.522 4.864 4.340 0.002 0.000 0.269 32 R C -2.794 173.600 176.300 0.156 0.000 1.030 32 R CA -1.470 54.759 56.100 0.215 0.000 0.882 32 R CB -0.265 30.239 30.300 0.340 0.000 1.250 32 R HN -0.165 nan 8.270 nan 0.000 0.465 33 P HA 0.174 nan 4.420 nan 0.000 0.274 33 P C -0.350 177.036 177.300 0.144 0.000 1.237 33 P CA -0.507 62.642 63.100 0.083 0.000 0.793 33 P CB 1.096 32.790 31.700 -0.011 0.000 0.977 34 R N 0.114 120.674 120.500 0.100 0.000 2.193 34 R HA 0.006 4.348 4.340 0.002 0.000 0.213 34 R C -0.192 176.187 176.300 0.131 0.000 1.055 34 R CA 0.798 56.965 56.100 0.111 0.000 0.995 34 R CB 0.211 30.555 30.300 0.074 0.000 0.893 34 R HN 0.509 nan 8.270 nan 0.000 0.459 35 D N -0.033 120.433 120.400 0.110 0.000 2.460 35 D HA 0.032 4.674 4.640 0.002 0.000 0.232 35 D C -1.172 175.202 176.300 0.122 0.000 1.079 35 D CA -0.242 53.829 54.000 0.118 0.000 0.864 35 D CB 0.633 41.471 40.800 0.065 0.000 1.048 35 D HN 0.171 nan 8.370 nan 0.000 0.523 36 W N 5.153 126.473 121.300 0.033 0.000 2.287 36 W HA 0.213 4.875 4.660 0.002 0.000 0.313 36 W C -2.125 174.427 176.519 0.055 0.000 1.267 36 W CA -1.582 55.781 57.345 0.031 0.000 1.201 36 W CB 1.061 30.528 29.460 0.012 0.000 1.196 36 W HN 0.195 nan 8.180 nan 0.000 0.536 37 P HA 0.001 nan 4.420 nan 0.000 0.275 37 P C 0.582 178.015 177.300 0.222 0.000 1.227 37 P CA -0.256 62.860 63.100 0.026 0.000 0.781 37 P CB 1.463 33.096 31.700 -0.113 0.000 0.906 38 L N 2.254 123.597 121.223 0.199 0.000 2.291 38 L HA -0.090 4.251 4.340 0.002 0.000 0.214 38 L C 1.894 178.895 176.870 0.218 0.000 1.120 38 L CA 1.649 56.637 54.840 0.247 0.000 0.799 38 L CB -1.457 40.692 42.059 0.151 0.000 0.925 38 L HN 0.523 nan 8.230 nan 0.000 0.446 39 D N -0.467 120.021 120.400 0.147 0.000 2.378 39 D HA -0.161 4.481 4.640 0.002 0.000 0.227 39 D C 0.672 177.067 176.300 0.159 0.000 1.012 39 D CA 0.382 54.454 54.000 0.119 0.000 0.905 39 D CB 0.160 41.000 40.800 0.067 0.000 0.895 39 D HN 0.249 nan 8.370 nan 0.000 0.532 40 R N -0.379 120.263 120.500 0.236 0.000 2.688 40 R HA 0.078 4.419 4.340 0.002 0.000 0.396 40 R C 0.286 176.881 176.300 0.492 0.000 1.081 40 R CA -0.508 55.776 56.100 0.307 0.000 1.093 40 R CB -1.062 29.383 30.300 0.242 0.000 1.338 40 R HN 0.142 nan 8.270 nan 0.000 0.613 41 W N 1.827 123.267 121.300 0.232 0.000 2.338 41 W HA -0.223 4.438 4.660 0.002 0.000 0.304 41 W C 1.704 178.244 176.519 0.036 0.000 1.212 41 W CA 2.439 59.877 57.345 0.154 0.000 1.264 41 W CB 0.127 29.639 29.460 0.088 0.000 1.142 41 W HN 0.308 nan 8.180 nan 0.000 0.512 42 A N -0.137 122.872 122.820 0.316 0.000 2.121 42 A HA -0.131 4.191 4.320 0.002 0.000 0.218 42 A C 1.494 179.005 177.584 -0.121 0.000 1.154 42 A CA 1.667 53.736 52.037 0.054 0.000 0.679 42 A CB -0.575 18.584 19.000 0.265 0.000 0.795 42 A HN 0.476 nan 8.150 nan 0.000 0.458 43 E N -0.302 119.887 120.200 -0.018 0.000 2.444 43 E HA 0.400 4.751 4.350 0.002 0.000 0.191 43 E C 0.502 177.006 176.600 -0.162 0.000 1.041 43 E CA 0.175 56.579 56.400 0.008 0.000 0.883 43 E CB 0.392 30.201 29.700 0.181 0.000 1.024 43 E HN 0.577 nan 8.360 nan 0.000 0.470 44 A N 2.290 124.733 122.820 -0.629 0.000 2.332 44 A HA 0.393 4.715 4.320 0.002 0.000 0.258 44 A C -2.135 174.952 177.584 -0.829 0.000 1.087 44 A CA -1.273 49.928 52.037 -1.393 0.000 0.802 44 A CB -0.073 17.868 19.000 -1.765 0.000 1.042 44 A HN -0.041 nan 8.150 nan 0.000 0.489 45 P HA 0.255 nan 4.420 nan 0.000 0.275 45 P C 0.000 177.078 177.300 -0.370 0.000 1.227 45 P CA -0.310 62.543 63.100 -0.413 0.000 0.781 45 P CB 0.699 32.225 31.700 -0.290 0.000 0.906 46 R N 0.851 121.191 120.500 -0.267 0.000 2.254 46 R HA 0.069 4.411 4.340 0.002 0.000 0.195 46 R C 0.549 176.748 176.300 -0.168 0.000 0.957 46 R CA 0.329 56.296 56.100 -0.221 0.000 1.024 46 R CB -0.604 29.586 30.300 -0.183 0.000 0.952 46 R HN 0.675 nan 8.270 nan 0.000 0.484 47 D N -0.238 120.069 120.400 -0.155 0.000 2.371 47 D HA -0.026 4.616 4.640 0.002 0.000 0.242 47 D C 1.281 177.480 176.300 -0.169 0.000 1.218 47 D CA -0.494 53.421 54.000 -0.142 0.000 0.945 47 D CB 0.818 41.547 40.800 -0.118 0.000 1.137 47 D HN -0.219 nan 8.370 nan 0.000 0.464 48 L N 1.158 122.250 121.223 -0.219 0.000 1.994 48 L HA 0.102 4.443 4.340 0.002 0.000 0.208 48 L C 2.069 178.745 176.870 -0.325 0.000 1.071 48 L CA 2.670 57.301 54.840 -0.347 0.000 0.745 48 L CB -0.915 40.799 42.059 -0.576 0.000 0.892 48 L HN 1.013 nan 8.230 nan 0.000 0.431 49 G N -3.580 105.066 108.800 -0.257 0.000 2.192 49 G HA2 -0.231 3.730 3.960 0.002 0.000 0.193 49 G HA3 -0.231 3.730 3.960 0.002 0.000 0.193 49 G C 0.024 174.968 174.900 0.072 0.000 0.999 49 G CA 0.018 45.088 45.100 -0.050 0.000 0.659 49 G HN 0.597 nan 8.290 nan 0.000 0.503 50 Y N -1.340 118.954 120.300 -0.010 0.000 2.764 50 Y HA 0.798 5.349 4.550 0.002 0.000 0.331 50 Y C 0.050 175.947 175.900 -0.006 0.000 1.280 50 Y CA -1.045 57.050 58.100 -0.008 0.000 1.065 50 Y CB 0.581 39.035 38.460 -0.009 0.000 1.319 50 Y HN 0.562 nan 8.280 nan 0.000 0.453 51 S N 1.355 117.182 115.700 0.212 0.000 2.481 51 S HA 0.096 4.568 4.470 0.002 0.000 0.276 51 S C 0.298 174.987 174.600 0.148 0.000 1.247 51 S CA -0.170 58.109 58.200 0.132 0.000 1.053 51 S CB -0.146 63.146 63.200 0.153 0.000 0.925 51 S HN 0.745 nan 8.310 nan 0.000 0.491 52 D N 4.968 125.390 120.400 0.037 0.000 2.346 52 D HA -0.086 4.556 4.640 0.002 0.000 0.248 52 D C 0.964 177.278 176.300 0.025 0.000 1.173 52 D CA -0.118 53.874 54.000 -0.015 0.000 0.878 52 D CB -0.586 40.180 40.800 -0.057 0.000 0.919 52 D HN 0.662 nan 8.370 nan 0.000 0.513 53 F N 1.009 120.944 119.950 -0.024 0.000 2.051 53 F HA -0.071 4.458 4.527 0.002 0.000 0.296 53 F C 0.760 176.545 175.800 -0.024 0.000 1.122 53 F CA 1.159 59.151 58.000 -0.013 0.000 1.201 53 F CB 0.301 39.302 39.000 0.002 0.000 0.978 53 F HN 0.033 nan 8.300 nan 0.000 0.472 54 S N 0.471 115.824 115.700 -0.578 0.000 2.689 54 S HA 0.287 4.759 4.470 0.002 0.000 0.151 54 S C -2.274 172.144 174.600 -0.303 0.000 1.155 54 S CA -0.796 57.036 58.200 -0.613 0.000 1.144 54 S CB 0.648 63.306 63.200 -0.903 0.000 1.526 54 S HN 0.219 nan 8.310 nan 0.000 0.419 55 P HA 0.276 nan 4.420 nan 0.000 0.272 55 P C -0.475 176.728 177.300 -0.161 0.000 1.408 55 P CA -0.131 62.842 63.100 -0.211 0.000 0.996 55 P CB -0.187 31.424 31.700 -0.148 0.000 1.481 56 Y N 1.167 121.491 120.300 0.039 0.000 2.403 56 Y HA 0.457 5.008 4.550 0.002 0.000 0.323 56 Y C 1.322 177.171 175.900 -0.084 0.000 1.226 56 Y CA -0.694 57.393 58.100 -0.022 0.000 1.235 56 Y CB 1.313 39.725 38.460 -0.079 0.000 1.248 56 Y HN -0.038 nan 8.280 nan 0.000 0.489 57 Q N 0.661 120.473 119.800 0.020 0.000 2.814 57 Q HA 0.439 4.781 4.340 0.002 0.000 0.322 57 Q C -1.953 174.063 176.000 0.027 0.000 0.888 57 Q CA -1.132 54.546 55.803 -0.209 0.000 0.768 57 Q CB 2.797 31.010 28.738 -0.876 0.000 1.443 57 Q HN 0.846 nan 8.270 nan 0.000 0.497 58 W N 1.379 122.521 121.300 -0.264 0.000 2.783 58 W HA 0.305 4.966 4.660 0.002 0.000 0.304 58 W C -1.029 175.418 176.519 -0.121 0.000 1.056 58 W CA -0.441 56.825 57.345 -0.132 0.000 1.175 58 W CB 0.874 30.304 29.460 -0.049 0.000 1.029 58 W HN 0.943 nan 8.180 nan 0.000 0.331 59 R N 2.915 123.095 120.500 -0.533 0.000 3.336 59 R HA -0.207 4.134 4.340 0.002 0.000 0.260 59 R C 0.906 177.040 176.300 -0.276 0.000 1.032 59 R CA 1.446 57.257 56.100 -0.482 0.000 0.693 59 R CB -1.831 28.083 30.300 -0.643 0.000 1.134 59 R HN 1.179 nan 8.270 nan 0.000 0.433 60 G N -0.823 107.821 108.800 -0.260 0.000 2.179 60 G HA2 -0.326 3.636 3.960 0.002 0.000 0.260 60 G HA3 -0.326 3.636 3.960 0.002 0.000 0.260 60 G C 0.190 175.029 174.900 -0.102 0.000 0.977 60 G CA 0.425 45.439 45.100 -0.144 0.000 0.641 60 G HN 0.291 nan 8.290 nan 0.000 0.533 61 L N 0.660 121.805 121.223 -0.129 0.000 2.322 61 L HA 0.577 4.918 4.340 0.002 0.000 0.279 61 L C 1.163 177.992 176.870 -0.069 0.000 1.036 61 L CA -1.168 53.645 54.840 -0.045 0.000 0.807 61 L CB 1.139 43.208 42.059 0.016 0.000 1.226 61 L HN 0.059 nan 8.230 nan 0.000 0.433 62 R N 2.423 122.929 120.500 0.011 0.000 2.643 62 R HA 0.332 4.673 4.340 0.002 0.000 0.270 62 R C -0.566 175.750 176.300 0.027 0.000 1.061 62 R CA -0.082 56.048 56.100 0.050 0.000 1.107 62 R CB 0.533 30.913 30.300 0.133 0.000 0.999 62 R HN 0.418 nan 8.270 nan 0.000 0.460 63 M N 3.747 123.356 119.600 0.015 0.000 2.253 63 M HA 0.197 4.679 4.480 0.002 0.000 0.314 63 M C 0.347 176.637 176.300 -0.017 0.000 1.019 63 M CA -0.319 54.953 55.300 -0.046 0.000 0.932 63 M CB 1.942 34.466 32.600 -0.126 0.000 1.606 63 M HN 0.579 nan 8.290 nan 0.000 0.430 64 L N 1.277 122.475 121.223 -0.042 0.000 2.554 64 L HA 0.165 4.506 4.340 0.002 0.000 0.225 64 L C 0.738 177.568 176.870 -0.067 0.000 1.104 64 L CA 0.192 55.011 54.840 -0.035 0.000 0.866 64 L CB -0.197 41.860 42.059 -0.004 0.000 1.047 64 L HN 0.509 nan 8.230 nan 0.000 0.468 65 K N 2.195 122.499 120.400 -0.160 0.000 2.298 65 K HA 0.186 4.507 4.320 0.002 0.000 0.280 65 K C -0.672 175.766 176.600 -0.269 0.000 1.032 65 K CA -0.377 55.781 56.287 -0.216 0.000 0.958 65 K CB 0.930 33.218 32.500 -0.354 0.000 0.978 65 K HN 0.027 nan 8.250 nan 0.000 0.472 66 D N 1.884 122.140 120.400 -0.240 0.000 2.340 66 D HA 0.157 4.798 4.640 0.002 0.000 0.251 66 D C -2.065 173.941 176.300 -0.490 0.000 1.080 66 D CA -2.181 51.578 54.000 -0.402 0.000 0.971 66 D CB 0.634 41.331 40.800 -0.172 0.000 1.137 66 D HN 0.049 nan 8.370 nan 0.000 0.475 67 P HA -0.161 nan 4.420 nan 0.000 0.217 67 P C 0.569 177.717 177.300 -0.254 0.000 1.148 67 P CA 1.111 63.952 63.100 -0.433 0.000 0.828 67 P CB 0.147 31.609 31.700 -0.396 0.000 0.783 68 D N -1.193 119.081 120.400 -0.210 0.000 2.087 68 D HA -0.122 4.519 4.640 0.002 0.000 0.192 68 D C 1.909 178.129 176.300 -0.133 0.000 0.993 68 D CA 1.590 55.511 54.000 -0.131 0.000 0.828 68 D CB -1.052 39.689 40.800 -0.099 0.000 0.968 68 D HN 0.099 nan 8.370 nan 0.000 0.448 69 T N 0.953 115.410 114.554 -0.162 0.000 2.759 69 T HA -0.169 4.182 4.350 0.002 0.000 0.269 69 T C 1.908 176.522 174.700 -0.144 0.000 1.042 69 T CA 1.118 63.121 62.100 -0.162 0.000 1.140 69 T CB -0.203 68.582 68.868 -0.139 0.000 0.864 69 T HN 0.283 nan 8.240 nan 0.000 0.455 70 Q N 0.417 120.068 119.800 -0.249 0.000 2.224 70 Q HA 0.076 4.418 4.340 0.002 0.000 0.203 70 Q C 2.649 178.705 176.000 0.094 0.000 0.970 70 Q CA 1.136 56.773 55.803 -0.278 0.000 0.865 70 Q CB -0.241 28.163 28.738 -0.556 0.000 0.922 70 Q HN 0.570 nan 8.270 nan 0.000 0.445 71 A N 0.279 123.108 122.820 0.014 0.000 1.929 71 A HA -0.093 4.228 4.320 0.002 0.000 0.216 71 A C 2.279 179.895 177.584 0.052 0.000 1.176 71 A CA 1.008 53.078 52.037 0.056 0.000 0.628 71 A CB -0.425 18.569 19.000 -0.011 0.000 0.816 71 A HN 0.198 nan 8.150 nan 0.000 0.444 72 V N -1.647 118.258 119.914 -0.015 0.000 2.427 72 V HA -0.266 3.856 4.120 0.002 0.000 0.248 72 V C 2.271 178.287 176.094 -0.129 0.000 1.051 72 V CA 1.730 63.978 62.300 -0.087 0.000 1.048 72 V CB -1.102 30.603 31.823 -0.196 0.000 0.666 72 V HN 0.680 nan 8.190 nan 0.000 0.456 73 Y N -0.475 119.870 120.300 0.076 0.000 2.373 73 Y HA -0.162 4.389 4.550 0.002 0.000 0.293 73 Y C 2.558 178.595 175.900 0.229 0.000 1.129 73 Y CA 1.594 59.799 58.100 0.176 0.000 1.226 73 Y CB -0.185 38.547 38.460 0.453 0.000 1.000 73 Y HN 0.408 nan 8.280 nan 0.000 0.549 74 H N 0.126 119.367 119.070 0.284 0.000 2.267 74 H HA -0.183 4.374 4.556 0.002 0.000 0.302 74 H C 1.600 176.991 175.328 0.104 0.000 1.056 74 H CA 1.596 57.732 56.048 0.147 0.000 1.269 74 H CB -0.050 29.775 29.762 0.106 0.000 1.385 74 H HN 0.137 nan 8.280 nan 0.000 0.501 75 D N 0.719 121.151 120.400 0.054 0.000 2.192 75 D HA -0.285 4.357 4.640 0.002 0.000 0.189 75 D C 2.375 178.751 176.300 0.127 0.000 1.007 75 D CA 1.660 55.691 54.000 0.051 0.000 0.859 75 D CB -0.548 40.328 40.800 0.128 0.000 0.936 75 D HN 0.440 nan 8.370 nan 0.000 0.447 76 M N -0.412 119.030 119.600 -0.264 0.000 2.082 76 M HA -0.232 4.250 4.480 0.002 0.000 0.258 76 M C 1.866 178.132 176.300 -0.056 0.000 1.071 76 M CA 1.369 56.394 55.300 -0.458 0.000 1.103 76 M CB -0.128 32.041 32.600 -0.719 0.000 1.307 76 M HN 0.032 nan 8.290 nan 0.000 0.409 77 L N -0.263 120.995 121.223 0.060 0.000 1.989 77 L HA -0.292 4.049 4.340 0.002 0.000 0.211 77 L C 2.216 179.184 176.870 0.164 0.000 1.071 77 L CA 2.024 56.914 54.840 0.083 0.000 0.749 77 L CB -1.565 40.537 42.059 0.071 0.000 0.890 77 L HN 0.610 nan 8.230 nan 0.000 0.431 78 W N 0.902 122.263 121.300 0.102 0.000 2.364 78 W HA -0.232 4.429 4.660 0.003 0.000 0.281 78 W C 2.226 178.802 176.519 0.095 0.000 1.219 78 W CA 1.813 59.228 57.345 0.116 0.000 1.220 78 W CB 0.131 29.729 29.460 0.230 0.000 1.127 78 W HN 0.500 nan 8.180 nan 0.000 0.556 79 E N 0.202 120.482 120.200 0.133 0.000 2.086 79 E HA -0.168 4.184 4.350 0.002 0.000 0.190 79 E C 2.381 178.991 176.600 0.017 0.000 0.975 79 E CA 0.742 57.178 56.400 0.060 0.000 0.813 79 E CB -0.606 29.233 29.700 0.232 0.000 0.768 79 E HN 0.234 nan 8.360 nan 0.000 0.457 80 L N 0.495 121.751 121.223 0.055 0.000 2.202 80 L HA 0.143 4.484 4.340 0.002 0.000 0.205 80 L C 0.368 177.242 176.870 0.006 0.000 1.083 80 L CA 0.539 55.419 54.840 0.068 0.000 0.790 80 L CB 0.057 42.182 42.059 0.109 0.000 0.942 80 L HN 0.166 nan 8.230 nan 0.000 0.452 81 R N 0.226 120.710 120.500 -0.027 0.000 2.992 81 R HA -0.113 4.229 4.340 0.002 0.000 0.263 81 R C -2.355 173.932 176.300 -0.022 0.000 0.902 81 R CA -0.165 55.907 56.100 -0.048 0.000 0.667 81 R CB -1.608 28.637 30.300 -0.092 0.000 1.504 81 R HN 0.273 nan 8.270 nan 0.000 0.489 82 P HA 0.055 nan 4.420 nan 0.000 0.276 82 P C -0.186 177.091 177.300 -0.039 0.000 1.243 82 P CA -0.052 63.037 63.100 -0.019 0.000 0.768 82 P CB 0.837 32.502 31.700 -0.058 0.000 0.856 83 R N 0.980 121.466 120.500 -0.023 0.000 2.310 83 R HA 0.162 4.503 4.340 0.002 0.000 0.202 83 R C -0.048 176.219 176.300 -0.056 0.000 0.933 83 R CA 0.651 56.728 56.100 -0.037 0.000 1.054 83 R CB 0.212 30.497 30.300 -0.025 0.000 0.985 83 R HN 0.501 nan 8.270 nan 0.000 0.489 84 T N 0.142 114.657 114.554 -0.065 0.000 3.395 84 T HA 0.394 4.745 4.350 0.002 0.000 0.330 84 T C -0.778 173.857 174.700 -0.109 0.000 1.076 84 T CA -0.579 61.475 62.100 -0.077 0.000 1.070 84 T CB 1.740 70.567 68.868 -0.069 0.000 1.119 84 T HN -0.066 nan 8.240 nan 0.000 0.462 85 I N 2.334 122.797 120.570 -0.179 0.000 2.530 85 I HA 0.677 4.848 4.170 0.002 0.000 0.297 85 I C -0.642 175.329 176.117 -0.242 0.000 1.011 85 I CA -1.229 59.887 61.300 -0.306 0.000 1.107 85 I CB 2.197 39.826 38.000 -0.618 0.000 1.285 85 I HN 0.298 nan 8.210 nan 0.000 0.436 86 V N 4.824 124.573 119.914 -0.274 0.000 2.398 86 V HA 0.281 4.402 4.120 0.002 0.000 0.282 86 V C -0.309 175.553 176.094 -0.386 0.000 1.014 86 V CA -0.710 61.421 62.300 -0.282 0.000 0.838 86 V CB 1.295 32.949 31.823 -0.282 0.000 1.018 86 V HN 0.584 nan 8.190 nan 0.000 0.432 87 E N 3.919 123.986 120.200 -0.223 0.000 2.229 87 E HA 0.332 4.683 4.350 0.002 0.000 0.283 87 E C -0.695 175.795 176.600 -0.183 0.000 1.030 87 E CA -0.182 56.126 56.400 -0.153 0.000 0.836 87 E CB 2.160 31.861 29.700 0.000 0.000 1.068 87 E HN 0.541 nan 8.360 nan 0.000 0.401 88 L N 3.157 124.251 121.223 -0.216 0.000 2.335 88 L HA 0.459 4.801 4.340 0.002 0.000 0.268 88 L C -0.217 176.607 176.870 -0.077 0.000 1.037 88 L CA -0.072 54.679 54.840 -0.148 0.000 0.895 88 L CB 0.254 42.220 42.059 -0.156 0.000 1.266 88 L HN 0.658 nan 8.230 nan 0.000 0.439 89 G N 2.839 111.618 108.800 -0.035 0.000 3.187 89 G HA2 -0.014 3.947 3.960 0.002 0.000 0.682 89 G HA3 -0.014 3.947 3.960 0.002 0.000 0.682 89 G C -0.572 174.344 174.900 0.026 0.000 1.266 89 G CA -0.401 44.699 45.100 -0.001 0.000 0.902 89 G HN 0.370 nan 8.290 nan 0.000 0.589 90 V N 2.064 122.020 119.914 0.071 0.000 3.193 90 V HA 0.297 4.419 4.120 0.002 0.000 0.237 90 V C 1.428 177.619 176.094 0.161 0.000 1.447 90 V CA 1.462 63.812 62.300 0.083 0.000 1.227 90 V CB -1.077 30.771 31.823 0.042 0.000 1.040 90 V HN 2.083 nan 8.190 nan 0.000 0.458 91 Y N 3.476 123.790 120.300 0.023 0.000 2.798 91 Y HA -0.540 4.011 4.550 0.002 0.000 0.472 91 Y C 1.583 177.503 175.900 0.034 0.000 1.128 91 Y CA 2.568 60.691 58.100 0.038 0.000 2.775 91 Y CB -1.566 36.925 38.460 0.051 0.000 1.152 91 Y HN 0.618 nan 8.280 nan 0.000 0.616 92 N N 1.834 120.343 118.700 -0.318 0.000 2.383 92 N HA 0.328 5.070 4.740 0.002 0.000 0.192 92 N C 1.247 176.691 175.510 -0.110 0.000 1.141 92 N CA 0.879 53.722 53.050 -0.345 0.000 0.851 92 N CB 0.308 38.561 38.487 -0.391 0.000 0.976 92 N HN 1.245 nan 8.380 nan 0.000 0.465 93 G N -0.799 107.983 108.800 -0.030 0.000 2.175 93 G HA2 -0.345 3.616 3.960 0.002 0.000 0.265 93 G HA3 -0.345 3.616 3.960 0.002 0.000 0.265 93 G C 0.983 175.898 174.900 0.026 0.000 0.979 93 G CA 0.326 45.428 45.100 0.002 0.000 0.663 93 G HN 0.595 nan 8.290 nan 0.000 0.533 94 G N 0.750 109.564 108.800 0.025 0.000 2.418 94 G HA2 0.024 3.986 3.960 0.002 0.000 0.217 94 G HA3 0.024 3.986 3.960 0.002 0.000 0.217 94 G C 2.120 177.045 174.900 0.041 0.000 1.158 94 G CA 2.128 47.260 45.100 0.052 0.000 0.771 94 G HN 1.622 nan 8.290 nan 0.000 0.545 95 S N 0.092 115.772 115.700 -0.033 0.000 2.406 95 S HA 0.019 4.490 4.470 0.002 0.000 0.228 95 S C 2.309 176.880 174.600 -0.048 0.000 1.020 95 S CA 0.966 59.073 58.200 -0.153 0.000 0.965 95 S CB -0.250 62.821 63.200 -0.214 0.000 0.798 95 S HN 0.072 nan 8.310 nan 0.000 0.488 96 L N 2.019 123.284 121.223 0.069 0.000 2.042 96 L HA 0.036 4.378 4.340 0.002 0.000 0.210 96 L C 2.945 179.895 176.870 0.135 0.000 1.076 96 L CA 1.799 56.719 54.840 0.134 0.000 0.749 96 L CB -1.308 40.795 42.059 0.074 0.000 0.893 96 L HN 0.479 nan 8.230 nan 0.000 0.432 97 A N -2.030 120.867 122.820 0.129 0.000 1.872 97 A HA -0.261 4.060 4.320 0.002 0.000 0.214 97 A C 2.138 179.841 177.584 0.199 0.000 1.187 97 A CA 1.323 53.465 52.037 0.174 0.000 0.614 97 A CB -1.350 17.786 19.000 0.227 0.000 0.826 97 A HN 0.611 nan 8.150 nan 0.000 0.442 98 W N 0.014 121.248 121.300 -0.110 0.000 2.321 98 W HA -0.231 4.431 4.660 0.002 0.000 0.306 98 W C 1.804 178.125 176.519 -0.331 0.000 1.217 98 W CA 2.033 59.072 57.345 -0.511 0.000 1.257 98 W CB -0.539 28.363 29.460 -0.930 0.000 1.145 98 W HN 0.320 nan 8.180 nan 0.000 0.509 99 F N 0.114 119.935 119.950 -0.215 0.000 2.134 99 F HA -0.246 4.282 4.527 0.003 0.000 0.299 99 F C 2.865 178.478 175.800 -0.312 0.000 1.097 99 F CA 1.427 59.198 58.000 -0.380 0.000 1.264 99 F CB -0.593 38.294 39.000 -0.188 0.000 1.001 99 F HN -0.233 nan 8.300 nan 0.000 0.479 100 R N 0.976 121.499 120.500 0.039 0.000 2.066 100 R HA -0.157 4.184 4.340 0.002 0.000 0.232 100 R C 1.613 177.893 176.300 -0.034 0.000 1.131 100 R CA 1.868 57.968 56.100 0.001 0.000 0.955 100 R CB -0.827 29.494 30.300 0.034 0.000 0.851 100 R HN 0.193 nan 8.270 nan 0.000 0.432 101 D N 0.577 120.968 120.400 -0.015 0.000 2.123 101 D HA -0.168 4.473 4.640 0.002 0.000 0.196 101 D C 1.812 178.046 176.300 -0.111 0.000 0.992 101 D CA 0.732 54.743 54.000 0.018 0.000 0.833 101 D CB -0.063 40.896 40.800 0.265 0.000 0.954 101 D HN 0.107 nan 8.370 nan 0.000 0.455 102 L N 0.855 121.876 121.223 -0.337 0.000 2.072 102 L HA -0.069 4.272 4.340 0.002 0.000 0.205 102 L C 2.558 179.284 176.870 -0.240 0.000 1.079 102 L CA 1.635 56.222 54.840 -0.421 0.000 0.752 102 L CB -1.490 40.055 42.059 -0.857 0.000 0.906 102 L HN 0.151 nan 8.230 nan 0.000 0.436 103 T N -2.892 111.552 114.554 -0.184 0.000 2.833 103 T HA -0.247 4.104 4.350 0.002 0.000 0.269 103 T C 1.918 176.583 174.700 -0.059 0.000 1.054 103 T CA 1.445 63.486 62.100 -0.098 0.000 1.135 103 T CB -0.251 68.564 68.868 -0.088 0.000 0.869 103 T HN 0.253 nan 8.240 nan 0.000 0.466 104 K N 1.635 122.000 120.400 -0.059 0.000 2.026 104 K HA -0.052 4.270 4.320 0.002 0.000 0.208 104 K C 2.475 179.065 176.600 -0.017 0.000 1.048 104 K CA 1.747 58.016 56.287 -0.030 0.000 0.929 104 K CB -0.409 32.079 32.500 -0.020 0.000 0.713 104 K HN 0.663 nan 8.250 nan 0.000 0.439 105 I N -2.085 118.470 120.570 -0.027 0.000 2.716 105 I HA -0.079 4.092 4.170 0.002 0.000 0.259 105 I C 1.855 177.984 176.117 0.020 0.000 1.172 105 I CA 0.741 62.036 61.300 -0.009 0.000 1.478 105 I CB -0.289 37.701 38.000 -0.017 0.000 1.104 105 I HN 0.135 nan 8.210 nan 0.000 0.439 106 M N 1.666 121.282 119.600 0.026 0.000 2.446 106 M HA 0.012 4.494 4.480 0.002 0.000 0.263 106 M C 1.536 177.905 176.300 0.116 0.000 1.066 106 M CA 1.582 56.966 55.300 0.140 0.000 1.087 106 M CB -0.435 32.257 32.600 0.154 0.000 1.406 106 M HN 0.689 nan 8.290 nan 0.000 0.459 107 G N 1.468 110.296 108.800 0.047 0.000 2.130 107 G HA2 -0.219 3.743 3.960 0.002 0.000 0.216 107 G HA3 -0.219 3.743 3.960 0.002 0.000 0.216 107 G C -0.051 174.850 174.900 0.003 0.000 0.999 107 G CA -0.383 44.733 45.100 0.027 0.000 0.686 107 G HN 0.434 nan 8.290 nan 0.000 0.515 108 I N 0.628 121.194 120.570 -0.006 0.000 2.428 108 I HA 0.364 4.535 4.170 0.002 0.000 0.296 108 I C 0.243 176.344 176.117 -0.026 0.000 0.985 108 I CA -0.621 60.665 61.300 -0.023 0.000 1.260 108 I CB 1.518 39.499 38.000 -0.032 0.000 1.389 108 I HN 0.100 nan 8.210 nan 0.000 0.484 109 D N 5.747 126.132 120.400 -0.026 0.000 2.639 109 D HA 0.145 4.787 4.640 0.002 0.000 0.233 109 D C -0.841 175.440 176.300 -0.031 0.000 1.161 109 D CA -0.231 53.755 54.000 -0.024 0.000 1.003 109 D CB 0.286 41.075 40.800 -0.018 0.000 1.034 109 D HN 0.445 nan 8.370 nan 0.000 0.514 110 C N 2.731 122.007 119.300 -0.040 0.000 2.355 110 C HA 0.539 5.001 4.460 0.002 0.000 0.332 110 C C -0.544 174.417 174.990 -0.049 0.000 1.255 110 C CA -0.630 58.356 59.018 -0.053 0.000 1.792 110 C CB 0.964 28.659 27.740 -0.076 0.000 2.300 110 C HN 0.500 nan 8.230 nan 0.000 0.515 111 Q N 4.122 123.892 119.800 -0.050 0.000 2.348 111 Q HA 0.434 4.776 4.340 0.002 0.000 0.265 111 Q C -0.948 175.022 176.000 -0.050 0.000 0.998 111 Q CA -0.141 55.638 55.803 -0.039 0.000 0.831 111 Q CB 1.818 30.540 28.738 -0.026 0.000 1.251 111 Q HN 0.746 nan 8.270 nan 0.000 0.456 112 V N 5.595 125.483 119.914 -0.043 0.000 2.546 112 V HA 0.434 4.555 4.120 0.002 0.000 0.284 112 V C 0.456 176.531 176.094 -0.032 0.000 1.050 112 V CA -0.267 62.004 62.300 -0.048 0.000 0.981 112 V CB 1.221 33.043 31.823 -0.001 0.000 0.990 112 V HN 0.602 nan 8.190 nan 0.000 0.474 113 I N 3.373 123.919 120.570 -0.040 0.000 2.466 113 I HA 0.594 4.765 4.170 0.002 0.000 0.289 113 I C 0.566 176.665 176.117 -0.029 0.000 1.026 113 I CA -0.288 61.003 61.300 -0.014 0.000 1.078 113 I CB 1.957 39.982 38.000 0.041 0.000 1.249 113 I HN 0.742 nan 8.210 nan 0.000 0.429 114 G N 6.433 115.219 108.800 -0.023 0.000 2.441 114 G HA2 0.859 4.820 3.960 0.002 0.000 0.334 114 G HA3 0.859 4.820 3.960 0.002 0.000 0.334 114 G C -0.932 173.963 174.900 -0.008 0.000 1.161 114 G CA -0.450 44.636 45.100 -0.023 0.000 0.935 114 G HN 0.485 nan 8.290 nan 0.000 0.488 115 I N 0.230 120.788 120.570 -0.019 0.000 2.802 115 I HA 0.466 4.637 4.170 0.002 0.000 0.298 115 I C -1.278 174.830 176.117 -0.016 0.000 1.176 115 I CA -0.704 60.586 61.300 -0.017 0.000 1.025 115 I CB 2.928 40.885 38.000 -0.072 0.000 1.243 115 I HN 0.346 nan 8.210 nan 0.000 0.424 116 D N 1.915 122.308 120.400 -0.012 0.000 2.623 116 D HA 0.246 4.888 4.640 0.002 0.000 0.241 116 D C -0.032 176.267 176.300 -0.001 0.000 1.241 116 D CA -0.510 53.493 54.000 0.007 0.000 0.788 116 D CB 2.285 43.100 40.800 0.026 0.000 1.413 116 D HN 0.609 nan 8.370 nan 0.000 0.429 117 R N 0.371 120.879 120.500 0.013 0.000 2.153 117 R HA 0.088 4.430 4.340 0.002 0.000 0.218 117 R C 0.303 176.611 176.300 0.014 0.000 1.072 117 R CA 0.740 56.845 56.100 0.009 0.000 0.990 117 R CB 0.123 30.435 30.300 0.020 0.000 0.889 117 R HN 0.076 nan 8.270 nan 0.000 0.452 118 D N -0.155 120.261 120.400 0.028 0.000 2.473 118 D HA 0.202 4.844 4.640 0.002 0.000 0.253 118 D C 0.068 176.390 176.300 0.036 0.000 1.233 118 D CA -0.537 53.483 54.000 0.033 0.000 0.908 118 D CB 1.445 42.274 40.800 0.050 0.000 1.170 118 D HN 0.112 nan 8.370 nan 0.000 0.558 119 L N 2.442 123.676 121.223 0.017 0.000 2.554 119 L HA 0.023 4.364 4.340 0.002 0.000 0.225 119 L C 2.300 179.171 176.870 0.001 0.000 1.104 119 L CA 0.332 55.175 54.840 0.006 0.000 0.866 119 L CB -0.013 42.040 42.059 -0.010 0.000 1.047 119 L HN 0.399 nan 8.230 nan 0.000 0.468 120 S N 0.248 115.954 115.700 0.009 0.000 2.419 120 S HA -0.234 4.237 4.470 0.002 0.000 0.235 120 S C 2.017 176.615 174.600 -0.004 0.000 1.019 120 S CA 1.060 59.263 58.200 0.005 0.000 0.982 120 S CB -0.210 62.999 63.200 0.016 0.000 0.789 120 S HN 0.350 nan 8.310 nan 0.000 0.490 121 R N 0.253 120.751 120.500 -0.003 0.000 2.193 121 R HA 0.239 4.580 4.340 0.002 0.000 0.213 121 R C 1.277 177.504 176.300 -0.122 0.000 1.055 121 R CA 0.476 56.544 56.100 -0.053 0.000 0.995 121 R CB -1.090 29.189 30.300 -0.036 0.000 0.893 121 R HN 0.523 nan 8.270 nan 0.000 0.459 122 C N 1.328 120.578 119.300 -0.084 0.000 2.550 122 C HA -0.049 4.412 4.460 0.002 0.000 0.406 122 C C 1.142 176.084 174.990 -0.081 0.000 1.366 122 C CA 0.222 59.189 59.018 -0.086 0.000 1.712 122 C CB 0.194 27.906 27.740 -0.047 0.000 2.613 122 C HN 0.498 nan 8.230 nan 0.000 0.608 123 Q N 3.224 122.975 119.800 -0.081 0.000 2.164 123 Q HA 0.301 4.643 4.340 0.002 0.000 0.226 123 Q C -0.019 175.955 176.000 -0.043 0.000 0.813 123 Q CA 0.189 55.951 55.803 -0.068 0.000 0.978 123 Q CB 0.173 28.858 28.738 -0.087 0.000 1.149 123 Q HN 0.812 nan 8.270 nan 0.000 0.489 124 I N 3.646 124.197 120.570 -0.032 0.000 2.517 124 I HA 0.069 4.241 4.170 0.002 0.000 0.285 124 I C -1.969 174.135 176.117 -0.022 0.000 1.106 124 I CA -1.491 59.798 61.300 -0.018 0.000 1.402 124 I CB 0.214 38.212 38.000 -0.004 0.000 1.399 124 I HN -0.179 nan 8.210 nan 0.000 0.535 125 P HA 0.010 nan 4.420 nan 0.000 0.267 125 P C 0.325 177.613 177.300 -0.020 0.000 1.200 125 P CA -0.092 62.994 63.100 -0.023 0.000 0.772 125 P CB 0.874 32.558 31.700 -0.026 0.000 0.855 126 A N 2.404 125.212 122.820 -0.020 0.000 2.014 126 A HA -0.135 4.187 4.320 0.002 0.000 0.218 126 A C 2.145 179.718 177.584 -0.018 0.000 1.163 126 A CA 1.696 53.721 52.037 -0.019 0.000 0.652 126 A CB -1.483 17.506 19.000 -0.019 0.000 0.808 126 A HN 0.609 nan 8.150 nan 0.000 0.449 127 S N 0.698 116.387 115.700 -0.018 0.000 2.387 127 S HA -0.157 4.314 4.470 0.002 0.000 0.230 127 S C 0.428 175.017 174.600 -0.018 0.000 1.035 127 S CA 1.357 59.546 58.200 -0.018 0.000 1.014 127 S CB -0.412 62.776 63.200 -0.020 0.000 0.836 127 S HN 0.574 nan 8.310 nan 0.000 0.466 128 D N 0.569 120.958 120.400 -0.018 0.000 3.163 128 D HA 0.299 4.940 4.640 0.002 0.000 0.284 128 D C 0.132 176.429 176.300 -0.005 0.000 1.368 128 D CA -0.148 53.843 54.000 -0.014 0.000 0.895 128 D CB 0.647 41.435 40.800 -0.020 0.000 1.061 128 D HN 0.328 nan 8.370 nan 0.000 0.496 129 M N 0.333 119.928 119.600 -0.008 0.000 2.313 129 M HA 0.060 4.541 4.480 0.002 0.000 0.273 129 M C 0.553 176.848 176.300 -0.008 0.000 1.049 129 M CA -0.080 55.215 55.300 -0.008 0.000 1.004 129 M CB 0.209 32.799 32.600 -0.016 0.000 1.461 129 M HN 0.138 nan 8.290 nan 0.000 0.514 130 E N 1.692 121.888 120.200 -0.007 0.000 2.534 130 E HA -0.153 4.198 4.350 0.002 0.000 0.264 130 E C 0.224 176.820 176.600 -0.007 0.000 0.981 130 E CA 0.454 56.850 56.400 -0.008 0.000 0.948 130 E CB 0.293 29.989 29.700 -0.007 0.000 0.934 130 E HN 0.283 nan 8.360 nan 0.000 0.459 131 N N 1.664 120.357 118.700 -0.011 0.000 2.681 131 N HA -0.224 4.517 4.740 0.002 0.000 0.250 131 N C -0.959 174.542 175.510 -0.015 0.000 1.133 131 N CA 1.331 54.373 53.050 -0.014 0.000 0.732 131 N CB -1.026 37.452 38.487 -0.014 0.000 1.107 131 N HN 0.492 nan 8.380 nan 0.000 0.559 132 I N 0.614 121.173 120.570 -0.018 0.000 2.362 132 I HA 0.178 4.350 4.170 0.002 0.000 0.289 132 I C 0.181 176.268 176.117 -0.050 0.000 0.994 132 I CA -0.190 61.097 61.300 -0.023 0.000 1.158 132 I CB 1.883 39.878 38.000 -0.008 0.000 1.315 132 I HN -0.209 nan 8.210 nan 0.000 0.451 133 T N 7.058 121.570 114.554 -0.071 0.000 2.792 133 T HA 0.568 4.920 4.350 0.002 0.000 0.280 133 T C -0.504 174.063 174.700 -0.221 0.000 0.990 133 T CA -0.443 61.572 62.100 -0.142 0.000 0.960 133 T CB 1.133 69.933 68.868 -0.113 0.000 0.939 133 T HN 0.061 nan 8.240 nan 0.000 0.439 134 L N 3.805 124.853 121.223 -0.291 0.000 2.334 134 L HA 0.579 4.921 4.340 0.002 0.000 0.272 134 L C 0.079 176.634 176.870 -0.524 0.000 1.020 134 L CA -0.575 54.095 54.840 -0.282 0.000 0.812 134 L CB 1.137 43.109 42.059 -0.145 0.000 1.264 134 L HN 0.620 nan 8.230 nan 0.000 0.439 135 H N 1.392 120.431 119.070 -0.052 0.000 2.851 135 H HA 0.402 4.959 4.556 0.003 0.000 0.372 135 H C -1.129 174.151 175.328 -0.080 0.000 1.158 135 H CA -0.599 55.407 56.048 -0.070 0.000 1.159 135 H CB 2.443 32.151 29.762 -0.091 0.000 1.757 135 H HN 0.488 nan 8.280 nan 0.000 0.546 136 Q N 0.709 120.537 119.800 0.046 0.000 2.266 136 Q HA 0.596 4.937 4.340 0.002 0.000 0.261 136 Q C -0.619 175.351 176.000 -0.050 0.000 0.985 136 Q CA -0.898 54.899 55.803 -0.009 0.000 0.873 136 Q CB 2.213 30.941 28.738 -0.017 0.000 1.306 136 Q HN 0.989 nan 8.270 nan 0.000 0.447 137 G N 2.353 111.115 108.800 -0.063 0.000 2.378 137 G HA2 0.013 3.974 3.960 0.002 0.000 0.302 137 G HA3 0.013 3.974 3.960 0.002 0.000 0.302 137 G C -1.815 173.043 174.900 -0.070 0.000 1.669 137 G CA -0.817 44.225 45.100 -0.096 0.000 0.920 137 G HN 0.548 nan 8.290 nan 0.000 0.697 138 D N -0.114 120.262 120.400 -0.041 0.000 2.313 138 D HA 0.330 4.972 4.640 0.002 0.000 0.247 138 D C 1.490 177.808 176.300 0.030 0.000 1.094 138 D CA -0.359 53.645 54.000 0.006 0.000 0.925 138 D CB 1.724 42.537 40.800 0.021 0.000 1.188 138 D HN 0.293 nan 8.370 nan 0.000 0.430 139 C N 0.804 120.166 119.300 0.104 0.000 2.476 139 C HA -0.098 4.364 4.460 0.002 0.000 0.278 139 C C 2.778 177.893 174.990 0.208 0.000 1.274 139 C CA 0.268 59.428 59.018 0.238 0.000 1.713 139 C CB -0.827 27.071 27.740 0.264 0.000 2.039 139 C HN 0.716 nan 8.230 nan 0.000 0.484 140 S N 0.715 116.495 115.700 0.133 0.000 2.502 140 S HA -0.237 4.235 4.470 0.002 0.000 0.288 140 S C 0.119 174.772 174.600 0.089 0.000 1.186 140 S CA 1.929 60.187 58.200 0.097 0.000 1.182 140 S CB -0.680 62.561 63.200 0.068 0.000 1.135 140 S HN 0.692 nan 8.310 nan 0.000 0.442 141 D N 0.575 121.023 120.400 0.081 0.000 2.313 141 D HA 0.319 4.960 4.640 0.002 0.000 0.239 141 D C 0.836 177.188 176.300 0.086 0.000 1.142 141 D CA -0.154 53.881 54.000 0.058 0.000 0.847 141 D CB 0.623 41.438 40.800 0.026 0.000 1.082 141 D HN 0.089 nan 8.370 nan 0.000 0.480 142 L N 1.592 122.846 121.223 0.052 0.000 2.353 142 L HA -0.148 4.193 4.340 0.002 0.000 0.220 142 L C 2.158 179.007 176.870 -0.035 0.000 1.133 142 L CA 1.085 55.923 54.840 -0.004 0.000 0.798 142 L CB -0.823 41.185 42.059 -0.086 0.000 0.922 142 L HN 0.520 nan 8.230 nan 0.000 0.445 143 T N -5.009 109.553 114.554 0.013 0.000 2.833 143 T HA -0.194 4.158 4.350 0.002 0.000 0.269 143 T C 1.820 176.574 174.700 0.090 0.000 1.054 143 T CA 1.584 63.730 62.100 0.077 0.000 1.135 143 T CB -0.598 68.353 68.868 0.138 0.000 0.869 143 T HN 0.143 nan 8.240 nan 0.000 0.466 144 T N 1.356 115.871 114.554 -0.065 0.000 2.721 144 T HA -0.085 4.266 4.350 0.002 0.000 0.268 144 T C 1.172 175.585 174.700 -0.479 0.000 1.038 144 T CA 1.681 63.595 62.100 -0.309 0.000 1.145 144 T CB -0.514 68.056 68.868 -0.496 0.000 0.858 144 T HN 0.554 nan 8.240 nan 0.000 0.459 145 F N 0.343 120.112 119.950 -0.303 0.000 2.437 145 F HA 0.269 4.797 4.527 0.002 0.000 0.288 145 F C 2.385 177.992 175.800 -0.322 0.000 1.085 145 F CA 0.164 57.863 58.000 -0.502 0.000 1.430 145 F CB -0.140 38.058 39.000 -1.337 0.000 1.120 145 F HN 0.087 nan 8.300 nan 0.000 0.556 146 E N -0.534 119.588 120.200 -0.129 0.000 2.204 146 E HA -0.184 4.167 4.350 0.002 0.000 0.194 146 E C 1.453 178.011 176.600 -0.069 0.000 0.989 146 E CA 1.083 57.472 56.400 -0.018 0.000 0.824 146 E CB -0.223 29.413 29.700 -0.106 0.000 0.756 146 E HN 0.498 nan 8.360 nan 0.000 0.477 147 H N -0.484 118.553 119.070 -0.055 0.000 2.545 147 H HA 0.007 4.564 4.556 0.002 0.000 0.282 147 H C -0.110 175.159 175.328 -0.099 0.000 1.020 147 H CA 0.005 56.009 56.048 -0.074 0.000 1.243 147 H CB 0.101 29.793 29.762 -0.117 0.000 1.377 147 H HN -0.010 nan 8.280 nan 0.000 0.581 148 L N 2.228 123.456 121.223 0.007 0.000 2.455 148 L HA 0.024 4.366 4.340 0.002 0.000 0.272 148 L C 0.561 177.494 176.870 0.104 0.000 1.174 148 L CA 0.534 55.381 54.840 0.011 0.000 0.869 148 L CB 0.476 42.615 42.059 0.133 0.000 1.130 148 L HN 0.201 nan 8.230 nan 0.000 0.474 149 R N 3.128 123.678 120.500 0.083 0.000 2.583 149 R HA 0.291 4.633 4.340 0.002 0.000 0.268 149 R C -0.265 176.096 176.300 0.102 0.000 1.101 149 R CA -0.968 55.185 56.100 0.090 0.000 1.180 149 R CB 0.434 30.781 30.300 0.078 0.000 1.128 149 R HN 0.503 nan 8.270 nan 0.000 0.568 150 E N 2.244 122.493 120.200 0.082 0.000 2.413 150 E HA 0.029 4.380 4.350 0.002 0.000 0.263 150 E C 0.239 176.860 176.600 0.034 0.000 1.015 150 E CA 0.603 57.043 56.400 0.067 0.000 0.916 150 E CB 0.667 30.401 29.700 0.056 0.000 0.947 150 E HN 0.366 nan 8.360 nan 0.000 0.440 151 M N -0.804 118.787 119.600 -0.014 0.000 2.618 151 M HA 0.673 5.155 4.480 0.002 0.000 0.281 151 M C -1.021 175.132 176.300 -0.245 0.000 1.267 151 M CA -1.151 54.103 55.300 -0.077 0.000 0.845 151 M CB 1.741 34.319 32.600 -0.036 0.000 1.732 151 M HN 0.297 nan 8.290 nan 0.000 0.461 152 A N 1.024 123.719 122.820 -0.209 0.000 2.340 152 A HA 0.642 4.964 4.320 0.002 0.000 0.268 152 A C -0.598 176.771 177.584 -0.360 0.000 1.100 152 A CA -0.389 51.513 52.037 -0.225 0.000 0.803 152 A CB 0.165 19.116 19.000 -0.081 0.000 1.043 152 A HN 0.893 nan 8.150 nan 0.000 0.488 153 H N 0.540 119.625 119.070 0.026 0.000 2.559 153 H HA 0.413 4.970 4.556 0.002 0.000 0.343 153 H C -2.325 173.014 175.328 0.018 0.000 1.209 153 H CA -1.723 54.342 56.048 0.029 0.000 1.287 153 H CB 0.510 30.288 29.762 0.028 0.000 1.650 153 H HN 0.426 nan 8.280 nan 0.000 0.567 154 P HA 0.100 nan 4.420 nan 0.000 0.271 154 P C -0.549 176.851 177.300 0.167 0.000 1.233 154 P CA -0.105 63.107 63.100 0.187 0.000 0.789 154 P CB 0.821 32.597 31.700 0.126 0.000 0.951 155 L N 1.915 123.279 121.223 0.235 0.000 2.476 155 L HA 0.501 4.842 4.340 0.002 0.000 0.269 155 L C -1.256 175.750 176.870 0.226 0.000 0.965 155 L CA -0.671 54.291 54.840 0.203 0.000 0.845 155 L CB 1.045 43.293 42.059 0.314 0.000 1.259 155 L HN 0.257 nan 8.230 nan 0.000 0.403 156 I N 4.477 125.125 120.570 0.129 0.000 2.336 156 I HA 0.275 4.447 4.170 0.002 0.000 0.292 156 I C -0.989 175.198 176.117 0.117 0.000 0.991 156 I CA -0.336 61.050 61.300 0.144 0.000 1.227 156 I CB 1.632 39.609 38.000 -0.037 0.000 1.366 156 I HN 0.469 nan 8.210 nan 0.000 0.466 157 F N 7.979 127.945 119.950 0.026 0.000 2.347 157 F HA 0.548 5.076 4.527 0.003 0.000 0.366 157 F C -0.352 175.288 175.800 -0.267 0.000 1.107 157 F CA -0.542 57.391 58.000 -0.111 0.000 1.058 157 F CB 0.666 39.609 39.000 -0.095 0.000 1.236 157 F HN 0.240 nan 8.300 nan 0.000 0.456 158 I N 4.905 125.275 120.570 -0.333 0.000 2.315 158 I HA 0.157 4.328 4.170 0.002 0.000 0.291 158 I C -0.573 175.367 176.117 -0.296 0.000 1.006 158 I CA -0.549 60.633 61.300 -0.197 0.000 1.265 158 I CB 1.095 39.052 38.000 -0.072 0.000 1.387 158 I HN 0.455 nan 8.210 nan 0.000 0.475 159 D N 5.737 126.040 120.400 -0.161 0.000 2.380 159 D HA 0.121 4.762 4.640 0.002 0.000 0.230 159 D C 0.337 176.525 176.300 -0.186 0.000 1.154 159 D CA 0.178 54.116 54.000 -0.103 0.000 0.859 159 D CB 0.594 41.433 40.800 0.064 0.000 1.045 159 D HN 0.346 nan 8.370 nan 0.000 0.495 160 N N 2.443 120.986 118.700 -0.262 0.000 2.184 160 N HA 0.154 4.896 4.740 0.002 0.000 0.206 160 N C 0.302 175.508 175.510 -0.507 0.000 1.151 160 N CA 0.100 52.967 53.050 -0.307 0.000 0.878 160 N CB 0.968 39.403 38.487 -0.087 0.000 1.014 160 N HN 0.464 nan 8.380 nan 0.000 0.512 161 A N -0.307 122.188 122.820 -0.541 0.000 2.026 161 A HA 0.146 4.468 4.320 0.002 0.000 0.201 161 A C 0.028 177.571 177.584 -0.068 0.000 1.318 161 A CA 0.280 52.188 52.037 -0.215 0.000 0.857 161 A CB -0.138 18.846 19.000 -0.027 0.000 0.939 161 A HN 0.465 nan 8.150 nan 0.000 0.476 162 H N -1.124 118.069 119.070 0.205 0.000 2.882 162 H HA -0.148 4.409 4.556 0.002 0.000 0.314 162 H C 0.206 175.732 175.328 0.329 0.000 1.270 162 H CA 0.527 56.763 56.048 0.313 0.000 1.165 162 H CB -2.216 27.723 29.762 0.295 0.000 1.436 162 H HN 0.854 nan 8.280 nan 0.000 0.431 163 A N 0.600 123.616 122.820 0.326 0.000 2.340 163 A HA 0.535 4.857 4.320 0.002 0.000 0.331 163 A C 1.176 178.912 177.584 0.253 0.000 1.140 163 A CA 0.088 52.288 52.037 0.271 0.000 0.801 163 A CB 1.206 20.328 19.000 0.202 0.000 1.234 163 A HN 0.403 nan 8.150 nan 0.000 0.469 164 N N 0.405 119.229 118.700 0.207 0.000 2.693 164 N HA -0.165 4.577 4.740 0.002 0.000 0.249 164 N C 0.935 176.563 175.510 0.197 0.000 1.119 164 N CA 1.625 54.779 53.050 0.173 0.000 0.717 164 N CB -1.243 37.337 38.487 0.155 0.000 1.071 164 N HN 0.683 nan 8.380 nan 0.000 0.555 165 T N -1.476 113.225 114.554 0.245 0.000 2.788 165 T HA -0.039 4.313 4.350 0.002 0.000 0.268 165 T C 1.442 176.238 174.700 0.160 0.000 1.044 165 T CA 1.437 63.703 62.100 0.277 0.000 1.139 165 T CB -0.267 68.873 68.868 0.454 0.000 0.867 165 T HN 0.392 nan 8.240 nan 0.000 0.454 166 F N 1.747 121.780 119.950 0.138 0.000 2.149 166 F HA 0.040 4.568 4.527 0.002 0.000 0.294 166 F C 2.509 178.344 175.800 0.059 0.000 1.095 166 F CA 0.593 58.624 58.000 0.052 0.000 1.276 166 F CB -0.254 38.738 39.000 -0.014 0.000 1.023 166 F HN 0.107 nan 8.300 nan 0.000 0.480 167 N N 0.715 119.547 118.700 0.220 0.000 2.192 167 N HA -0.200 4.541 4.740 0.002 0.000 0.188 167 N C 1.902 177.478 175.510 0.111 0.000 1.013 167 N CA 1.440 54.569 53.050 0.131 0.000 0.863 167 N CB -0.189 38.344 38.487 0.077 0.000 0.990 167 N HN 0.286 nan 8.380 nan 0.000 0.430 168 I N 0.986 121.604 120.570 0.080 0.000 2.286 168 I HA -0.178 3.994 4.170 0.002 0.000 0.245 168 I C 2.474 178.642 176.117 0.085 0.000 1.104 168 I CA 0.727 62.009 61.300 -0.030 0.000 1.397 168 I CB -0.490 37.502 38.000 -0.014 0.000 1.072 168 I HN 0.138 nan 8.210 nan 0.000 0.417 169 M N 0.979 120.594 119.600 0.025 0.000 2.149 169 M HA -0.275 4.206 4.480 0.002 0.000 0.261 169 M C 2.385 178.650 176.300 -0.057 0.000 1.064 169 M CA 1.876 56.932 55.300 -0.406 0.000 1.102 169 M CB -0.153 31.956 32.600 -0.818 0.000 1.369 169 M HN 0.088 nan 8.290 nan 0.000 0.408 170 K N -0.736 119.801 120.400 0.228 0.000 2.026 170 K HA -0.263 4.058 4.320 0.002 0.000 0.208 170 K C 1.829 178.534 176.600 0.175 0.000 1.048 170 K CA 2.033 58.478 56.287 0.264 0.000 0.929 170 K CB -0.523 32.090 32.500 0.187 0.000 0.713 170 K HN 0.580 nan 8.250 nan 0.000 0.439 171 W N 1.005 122.318 121.300 0.022 0.000 2.467 171 W HA -0.030 4.631 4.660 0.002 0.000 0.275 171 W C 1.684 178.239 176.519 0.059 0.000 1.239 171 W CA 1.416 58.817 57.345 0.094 0.000 1.266 171 W CB -0.057 29.386 29.460 -0.029 0.000 1.112 171 W HN 0.192 nan 8.180 nan 0.000 0.576 172 A N -0.168 122.622 122.820 -0.050 0.000 1.930 172 A HA -0.105 4.217 4.320 0.002 0.000 0.217 172 A C 1.954 179.353 177.584 -0.308 0.000 1.175 172 A CA 1.912 53.759 52.037 -0.317 0.000 0.627 172 A CB -0.951 17.973 19.000 -0.126 0.000 0.815 172 A HN 0.197 nan 8.150 nan 0.000 0.443 173 V N 0.123 119.923 119.914 -0.189 0.000 2.488 173 V HA -0.146 3.976 4.120 0.002 0.000 0.246 173 V C 2.067 178.036 176.094 -0.207 0.000 1.046 173 V CA 2.112 64.325 62.300 -0.145 0.000 1.053 173 V CB -0.598 31.207 31.823 -0.030 0.000 0.679 173 V HN 0.456 nan 8.190 nan 0.000 0.458 174 D N -0.847 119.398 120.400 -0.259 0.000 2.097 174 D HA -0.109 4.533 4.640 0.002 0.000 0.197 174 D C 2.032 177.987 176.300 -0.574 0.000 0.984 174 D CA 1.452 55.203 54.000 -0.415 0.000 0.826 174 D CB -0.131 40.376 40.800 -0.489 0.000 0.973 174 D HN 0.505 nan 8.370 nan 0.000 0.460 175 H N -1.647 117.106 119.070 -0.528 0.000 2.874 175 H HA 0.240 4.797 4.556 0.002 0.000 0.264 175 H C 1.345 176.372 175.328 -0.502 0.000 1.007 175 H CA 0.154 55.868 56.048 -0.558 0.000 1.207 175 H CB 1.463 30.717 29.762 -0.847 0.000 1.487 175 H HN 0.066 nan 8.280 nan 0.000 0.505 176 L N -0.158 120.808 121.223 -0.428 0.000 2.713 176 L HA 0.293 4.635 4.340 0.002 0.000 0.223 176 L C 0.143 177.000 176.870 -0.023 0.000 1.040 176 L CA 0.460 55.170 54.840 -0.216 0.000 0.894 176 L CB 0.251 42.113 42.059 -0.328 0.000 1.361 176 L HN -0.108 nan 8.230 nan 0.000 0.490 177 L N 0.730 121.895 121.223 -0.097 0.000 2.466 177 L HA 0.334 4.676 4.340 0.002 0.000 0.257 177 L C -0.238 176.542 176.870 -0.149 0.000 1.189 177 L CA 0.068 54.884 54.840 -0.040 0.000 0.813 177 L CB 0.704 42.742 42.059 -0.035 0.000 1.118 177 L HN 0.160 nan 8.230 nan 0.000 0.471 178 E N -0.058 120.021 120.200 -0.202 0.000 2.413 178 E HA 0.178 4.530 4.350 0.002 0.000 0.277 178 E C -1.303 175.199 176.600 -0.163 0.000 0.958 178 E CA -0.943 55.298 56.400 -0.263 0.000 0.779 178 E CB 1.805 31.190 29.700 -0.526 0.000 1.278 178 E HN 0.419 nan 8.360 nan 0.000 0.456 179 E N 0.318 120.439 120.200 -0.132 0.000 2.966 179 E HA -0.137 4.214 4.350 0.002 0.000 0.254 179 E C 0.685 177.241 176.600 -0.072 0.000 0.923 179 E CA 1.873 58.218 56.400 -0.090 0.000 0.960 179 E CB 0.261 29.916 29.700 -0.075 0.000 0.901 179 E HN 0.853 nan 8.360 nan 0.000 0.525 180 G N 4.121 112.879 108.800 -0.071 0.000 2.217 180 G HA2 -0.223 3.739 3.960 0.002 0.000 0.246 180 G HA3 -0.223 3.739 3.960 0.002 0.000 0.246 180 G C -0.016 174.865 174.900 -0.032 0.000 0.990 180 G CA 0.175 45.244 45.100 -0.051 0.000 0.627 180 G HN 0.559 nan 8.290 nan 0.000 0.522 181 D N 0.047 120.441 120.400 -0.009 0.000 2.341 181 D HA 0.568 5.210 4.640 0.002 0.000 0.245 181 D C 0.440 176.777 176.300 0.063 0.000 1.106 181 D CA -0.011 54.055 54.000 0.111 0.000 0.905 181 D CB 0.520 41.402 40.800 0.136 0.000 1.202 181 D HN 0.223 nan 8.370 nan 0.000 0.426 182 Y N 0.217 120.614 120.300 0.161 0.000 2.408 182 Y HA 0.479 5.030 4.550 0.002 0.000 0.324 182 Y C -0.157 175.926 175.900 0.305 0.000 1.302 182 Y CA -0.727 57.493 58.100 0.200 0.000 1.384 182 Y CB 0.999 39.564 38.460 0.176 0.000 1.367 182 Y HN 0.268 nan 8.280 nan 0.000 0.525 183 F N 2.294 122.425 119.950 0.302 0.000 3.287 183 F HA 0.469 4.997 4.527 0.002 0.000 0.379 183 F C -1.883 174.066 175.800 0.250 0.000 1.268 183 F CA -0.533 57.631 58.000 0.272 0.000 1.220 183 F CB 0.317 39.381 39.000 0.107 0.000 1.687 183 F HN 0.234 nan 8.300 nan 0.000 0.648 184 I N 6.782 127.536 120.570 0.307 0.000 2.339 184 I HA 0.365 4.536 4.170 0.002 0.000 0.290 184 I C -0.383 175.861 176.117 0.211 0.000 0.994 184 I CA -0.600 60.873 61.300 0.288 0.000 1.191 184 I CB 1.713 39.869 38.000 0.261 0.000 1.343 184 I HN 0.414 nan 8.210 nan 0.000 0.458 185 I N 6.612 127.334 120.570 0.254 0.000 2.282 185 I HA 0.158 4.330 4.170 0.002 0.000 0.290 185 I C 0.433 176.652 176.117 0.169 0.000 1.090 185 I CA -0.296 61.134 61.300 0.215 0.000 1.231 185 I CB 0.039 38.179 38.000 0.234 0.000 1.434 185 I HN 0.552 nan 8.210 nan 0.000 0.487 186 E N 6.165 126.476 120.200 0.186 0.000 2.413 186 E HA -0.022 4.330 4.350 0.002 0.000 0.263 186 E C -0.032 176.668 176.600 0.168 0.000 1.015 186 E CA 0.159 56.662 56.400 0.171 0.000 0.916 186 E CB 0.696 30.507 29.700 0.186 0.000 0.947 186 E HN 0.602 nan 8.360 nan 0.000 0.440 187 D N 0.626 121.059 120.400 0.054 0.000 3.507 187 D HA -0.249 4.393 4.640 0.002 0.000 0.208 187 D C 1.158 177.398 176.300 -0.100 0.000 1.223 187 D CA 1.908 55.904 54.000 -0.007 0.000 2.248 187 D CB -0.777 40.015 40.800 -0.013 0.000 1.247 187 D HN 0.405 nan 8.370 nan 0.000 0.475 188 M N 0.929 120.311 119.600 -0.363 0.000 2.419 188 M HA 0.236 4.718 4.480 0.002 0.000 0.264 188 M C 2.162 178.008 176.300 -0.756 0.000 1.082 188 M CA 0.828 55.715 55.300 -0.689 0.000 1.119 188 M CB -0.115 31.689 32.600 -1.327 0.000 1.398 188 M HN 0.275 nan 8.290 nan 0.000 0.453 189 I N 0.278 120.571 120.570 -0.462 0.000 2.226 189 I HA -0.219 3.952 4.170 0.002 0.000 0.245 189 I C -0.815 175.085 176.117 -0.361 0.000 1.100 189 I CA 1.373 62.504 61.300 -0.282 0.000 1.374 189 I CB -1.083 36.965 38.000 0.080 0.000 1.057 189 I HN 0.199 nan 8.210 nan 0.000 0.413 190 P HA -0.172 nan 4.420 nan 0.000 0.220 190 P C 1.074 178.118 177.300 -0.426 0.000 1.148 190 P CA 1.516 64.407 63.100 -0.349 0.000 0.803 190 P CB -0.092 31.385 31.700 -0.372 0.000 0.782 191 Y N -2.485 117.623 120.300 -0.319 0.000 2.263 191 Y HA -0.132 4.419 4.550 0.002 0.000 0.292 191 Y C 2.176 177.969 175.900 -0.179 0.000 1.130 191 Y CA 0.718 58.606 58.100 -0.353 0.000 1.179 191 Y CB -0.860 37.500 38.460 -0.166 0.000 0.998 191 Y HN -0.030 nan 8.280 nan 0.000 0.532 192 W N -1.314 119.971 121.300 -0.024 0.000 2.392 192 W HA -0.220 4.442 4.660 0.003 0.000 0.279 192 W C 2.245 178.624 176.519 -0.233 0.000 1.225 192 W CA 0.637 57.966 57.345 -0.027 0.000 1.233 192 W CB -1.469 28.029 29.460 0.064 0.000 1.122 192 W HN 0.189 nan 8.180 nan 0.000 0.561 193 Y N 1.046 121.089 120.300 -0.429 0.000 2.220 193 Y HA -0.149 4.403 4.550 0.002 0.000 0.291 193 Y C 2.587 178.402 175.900 -0.142 0.000 1.129 193 Y CA 1.955 59.851 58.100 -0.340 0.000 1.161 193 Y CB -0.453 37.775 38.460 -0.386 0.000 0.997 193 Y HN -0.199 nan 8.280 nan 0.000 0.522 194 R N -1.257 119.096 120.500 -0.245 0.000 2.066 194 R HA -0.166 4.176 4.340 0.002 0.000 0.232 194 R C 2.146 178.355 176.300 -0.150 0.000 1.131 194 R CA 2.018 57.937 56.100 -0.303 0.000 0.955 194 R CB -0.665 29.372 30.300 -0.440 0.000 0.851 194 R HN 0.452 nan 8.270 nan 0.000 0.432 195 Y N -0.810 119.524 120.300 0.057 0.000 2.373 195 Y HA 0.036 4.588 4.550 0.002 0.000 0.293 195 Y C 0.893 176.819 175.900 0.042 0.000 1.129 195 Y CA 0.032 58.180 58.100 0.080 0.000 1.226 195 Y CB 0.431 38.992 38.460 0.168 0.000 1.000 195 Y HN 0.065 nan 8.280 nan 0.000 0.549 196 A N -0.671 122.245 122.820 0.159 0.000 3.399 196 A HA 0.334 4.656 4.320 0.002 0.000 0.262 196 A C -2.400 175.226 177.584 0.069 0.000 1.145 196 A CA -0.889 51.207 52.037 0.098 0.000 0.916 196 A CB 0.026 19.099 19.000 0.121 0.000 1.360 196 A HN -0.051 nan 8.150 nan 0.000 0.628 197 P HA -0.189 nan 4.420 nan 0.000 0.215 197 P C 1.630 178.951 177.300 0.035 0.000 1.157 197 P CA 1.063 64.093 63.100 -0.116 0.000 0.859 197 P CB 0.263 31.752 31.700 -0.351 0.000 0.786 198 Q N -0.499 119.288 119.800 -0.021 0.000 2.084 198 Q HA -0.148 4.193 4.340 0.002 0.000 0.202 198 Q C 2.076 178.027 176.000 -0.080 0.000 0.978 198 Q CA 1.351 57.135 55.803 -0.032 0.000 0.844 198 Q CB -0.505 28.204 28.738 -0.048 0.000 0.898 198 Q HN 0.230 nan 8.270 nan 0.000 0.426 199 L N -0.491 120.642 121.223 -0.148 0.000 2.049 199 L HA -0.119 4.223 4.340 0.002 0.000 0.203 199 L C 2.372 178.994 176.870 -0.414 0.000 1.074 199 L CA 0.795 55.381 54.840 -0.422 0.000 0.749 199 L CB -0.500 41.232 42.059 -0.545 0.000 0.907 199 L HN 0.274 nan 8.230 nan 0.000 0.439 200 F N 0.651 120.484 119.950 -0.195 0.000 2.176 200 F HA -0.337 4.192 4.527 0.003 0.000 0.301 200 F C 2.411 178.299 175.800 0.147 0.000 1.071 200 F CA 1.983 60.030 58.000 0.079 0.000 1.289 200 F CB -0.131 39.046 39.000 0.295 0.000 1.028 200 F HN 0.006 nan 8.300 nan 0.000 0.494 201 S N -0.670 115.031 115.700 0.002 0.000 2.388 201 S HA -0.138 4.334 4.470 0.002 0.000 0.223 201 S C 1.922 176.479 174.600 -0.071 0.000 1.034 201 S CA 0.786 58.981 58.200 -0.008 0.000 0.963 201 S CB -0.370 62.909 63.200 0.133 0.000 0.827 201 S HN 0.543 nan 8.310 nan 0.000 0.481 202 E N 0.331 120.475 120.200 -0.093 0.000 2.204 202 E HA -0.141 4.210 4.350 0.002 0.000 0.195 202 E C 1.279 177.879 176.600 0.001 0.000 0.990 202 E CA 0.948 57.311 56.400 -0.063 0.000 0.821 202 E CB -0.082 29.560 29.700 -0.096 0.000 0.750 202 E HN 0.700 nan 8.360 nan 0.000 0.477 203 Y N -0.246 119.872 120.300 -0.302 0.000 2.301 203 Y HA -0.052 4.499 4.550 0.003 0.000 0.295 203 Y C 2.487 178.209 175.900 -0.297 0.000 1.119 203 Y CA -0.052 57.739 58.100 -0.515 0.000 1.162 203 Y CB 0.288 38.076 38.460 -1.120 0.000 1.046 203 Y HN 0.099 nan 8.280 nan 0.000 0.538 204 L N -0.515 120.666 121.223 -0.070 0.000 2.023 204 L HA -0.083 4.258 4.340 0.002 0.000 0.205 204 L C 2.439 179.435 176.870 0.210 0.000 1.073 204 L CA 1.654 56.586 54.840 0.153 0.000 0.745 204 L CB -0.925 41.046 42.059 -0.147 0.000 0.900 204 L HN 0.254 nan 8.230 nan 0.000 0.435 205 G N -0.797 108.048 108.800 0.074 0.000 2.501 205 G HA2 -0.259 3.703 3.960 0.002 0.000 0.220 205 G HA3 -0.259 3.703 3.960 0.002 0.000 0.220 205 G C 1.527 176.462 174.900 0.058 0.000 1.114 205 G CA 0.702 45.843 45.100 0.067 0.000 0.757 205 G HN 0.555 nan 8.290 nan 0.000 0.559 206 A N -0.155 122.691 122.820 0.043 0.000 2.178 206 A HA 0.251 4.573 4.320 0.002 0.000 0.218 206 A C 1.580 179.021 177.584 -0.239 0.000 1.157 206 A CA 0.637 52.602 52.037 -0.121 0.000 0.689 206 A CB -0.338 18.523 19.000 -0.233 0.000 0.787 206 A HN 0.337 nan 8.150 nan 0.000 0.465 207 F N -0.389 119.540 119.950 -0.034 0.000 2.653 207 F HA 0.145 4.674 4.527 0.003 0.000 0.304 207 F C 2.100 177.878 175.800 -0.036 0.000 1.092 207 F CA 0.061 58.038 58.000 -0.038 0.000 1.279 207 F CB 0.075 39.058 39.000 -0.028 0.000 1.044 207 F HN 0.289 nan 8.300 nan 0.000 0.564 208 R N 0.419 120.987 120.500 0.114 0.000 2.119 208 R HA -0.213 4.128 4.340 0.002 0.000 0.246 208 R C 1.014 177.336 176.300 0.037 0.000 1.146 208 R CA 2.303 58.443 56.100 0.066 0.000 0.962 208 R CB -0.920 29.400 30.300 0.034 0.000 0.863 208 R HN 0.128 nan 8.270 nan 0.000 0.442 209 D N 0.705 121.112 120.400 0.010 0.000 2.149 209 D HA -0.122 4.519 4.640 0.002 0.000 0.198 209 D C 2.055 178.352 176.300 -0.005 0.000 0.990 209 D CA 1.933 55.927 54.000 -0.011 0.000 0.839 209 D CB 0.059 40.836 40.800 -0.039 0.000 0.948 209 D HN 0.395 nan 8.370 nan 0.000 0.460 210 V N -2.192 117.733 119.914 0.019 0.000 2.581 210 V HA 0.212 4.334 4.120 0.002 0.000 0.240 210 V C 1.011 177.115 176.094 0.017 0.000 1.054 210 V CA 0.135 62.444 62.300 0.015 0.000 1.076 210 V CB -0.044 31.795 31.823 0.026 0.000 0.748 210 V HN -0.079 nan 8.190 nan 0.000 0.474 211 L N 1.997 123.252 121.223 0.053 0.000 2.331 211 L HA 0.733 5.075 4.340 0.002 0.000 0.275 211 L C -0.084 176.794 176.870 0.015 0.000 1.022 211 L CA 0.027 54.873 54.840 0.009 0.000 0.812 211 L CB 2.018 44.058 42.059 -0.032 0.000 1.257 211 L HN 0.581 nan 8.230 nan 0.000 0.435 212 S N 2.226 117.922 115.700 -0.006 0.000 2.632 212 S HA 0.600 5.072 4.470 0.002 0.000 0.289 212 S C -0.756 173.857 174.600 0.021 0.000 1.115 212 S CA -0.903 57.301 58.200 0.007 0.000 0.889 212 S CB 1.897 65.092 63.200 -0.008 0.000 1.116 212 S HN 0.615 nan 8.310 nan 0.000 0.486 213 M N 2.600 122.223 119.600 0.038 0.000 2.077 213 M HA 0.293 4.774 4.480 0.002 0.000 0.348 213 M C -0.897 175.441 176.300 0.062 0.000 1.252 213 M CA -0.302 55.037 55.300 0.064 0.000 1.096 213 M CB 0.274 32.914 32.600 0.066 0.000 1.568 213 M HN 0.809 nan 8.290 nan 0.000 0.456 214 D N 5.311 125.775 120.400 0.106 0.000 2.367 214 D HA 0.046 4.687 4.640 0.002 0.000 0.255 214 D C 0.863 177.217 176.300 0.090 0.000 1.300 214 D CA 0.087 54.162 54.000 0.124 0.000 0.959 214 D CB 0.642 41.624 40.800 0.303 0.000 1.064 214 D HN 0.599 nan 8.370 nan 0.000 0.509 215 M N 3.344 122.956 119.600 0.021 0.000 2.557 215 M HA -0.070 4.412 4.480 0.002 0.000 0.259 215 M C 1.557 177.822 176.300 -0.060 0.000 1.086 215 M CA 0.306 55.602 55.300 -0.007 0.000 1.096 215 M CB -0.510 32.081 32.600 -0.015 0.000 1.424 215 M HN 0.418 nan 8.290 nan 0.000 0.488 216 L N -0.535 120.598 121.223 -0.152 0.000 2.072 216 L HA -0.115 4.227 4.340 0.002 0.000 0.205 216 L C 1.710 178.375 176.870 -0.342 0.000 1.079 216 L CA 1.995 56.638 54.840 -0.329 0.000 0.752 216 L CB -0.526 41.188 42.059 -0.575 0.000 0.906 216 L HN 0.233 nan 8.230 nan 0.000 0.436 217 Y N -1.947 118.375 120.300 0.036 0.000 2.522 217 Y HA 0.330 4.882 4.550 0.002 0.000 0.277 217 Y C 2.257 178.147 175.900 -0.016 0.000 1.104 217 Y CA 0.216 58.313 58.100 -0.004 0.000 1.260 217 Y CB -0.389 38.061 38.460 -0.017 0.000 1.151 217 Y HN 0.118 nan 8.280 nan 0.000 0.539 218 A N 0.230 123.138 122.820 0.146 0.000 2.248 218 A HA -0.083 4.238 4.320 0.002 0.000 0.210 218 A C 1.060 178.668 177.584 0.040 0.000 1.174 218 A CA 1.237 53.330 52.037 0.094 0.000 0.750 218 A CB -0.435 18.625 19.000 0.101 0.000 0.780 218 A HN 0.357 nan 8.150 nan 0.000 0.478 219 N N -1.343 117.372 118.700 0.024 0.000 2.241 219 N HA 0.282 5.023 4.740 0.002 0.000 0.238 219 N C 0.313 175.819 175.510 -0.006 0.000 1.244 219 N CA 0.685 53.735 53.050 -0.000 0.000 0.880 219 N CB 0.925 39.406 38.487 -0.009 0.000 1.179 219 N HN 0.313 nan 8.380 nan 0.000 0.513 220 A N 0.019 122.841 122.820 0.004 0.000 2.713 220 A HA 0.510 4.832 4.320 0.002 0.000 0.296 220 A C 0.225 177.794 177.584 -0.024 0.000 1.255 220 A CA -0.242 51.793 52.037 -0.003 0.000 0.955 220 A CB 0.156 19.171 19.000 0.025 0.000 1.149 220 A HN -0.005 nan 8.150 nan 0.000 0.538 221 S N -0.950 114.729 115.700 -0.034 0.000 2.639 221 S HA 0.223 4.695 4.470 0.002 0.000 0.319 221 S C 0.799 175.373 174.600 -0.042 0.000 0.991 221 S CA 0.344 58.514 58.200 -0.050 0.000 0.858 221 S CB 0.385 63.536 63.200 -0.082 0.000 1.068 221 S HN 1.137 nan 8.310 nan 0.000 0.458 222 S N 3.886 119.564 115.700 -0.036 0.000 2.400 222 S HA -0.176 4.296 4.470 0.002 0.000 0.232 222 S C 1.447 176.034 174.600 -0.021 0.000 1.025 222 S CA 1.634 59.817 58.200 -0.028 0.000 0.993 222 S CB -0.498 62.693 63.200 -0.016 0.000 0.808 222 S HN 0.790 nan 8.310 nan 0.000 0.478 223 Q N 0.614 120.403 119.800 -0.019 0.000 2.020 223 Q HA 0.145 4.487 4.340 0.002 0.000 0.198 223 Q C 2.254 178.250 176.000 -0.006 0.000 0.974 223 Q CA 1.446 57.247 55.803 -0.002 0.000 0.829 223 Q CB -0.353 28.385 28.738 -0.001 0.000 0.894 223 Q HN 0.542 nan 8.270 nan 0.000 0.433 224 L N 1.404 122.606 121.223 -0.035 0.000 2.551 224 L HA -0.050 4.292 4.340 0.002 0.000 0.228 224 L C 0.444 177.309 176.870 -0.009 0.000 1.153 224 L CA -0.212 54.607 54.840 -0.034 0.000 0.851 224 L CB -0.543 41.450 42.059 -0.111 0.000 0.959 224 L HN 0.206 nan 8.230 nan 0.000 0.451 225 D N 1.866 122.253 120.400 -0.021 0.000 2.660 225 D HA -0.143 4.498 4.640 0.002 0.000 0.253 225 D C 0.656 176.946 176.300 -0.015 0.000 1.256 225 D CA 0.560 54.544 54.000 -0.026 0.000 0.914 225 D CB 0.181 40.950 40.800 -0.052 0.000 1.137 225 D HN 0.138 nan 8.370 nan 0.000 0.542 226 R N 1.788 122.295 120.500 0.011 0.000 3.770 226 R HA -0.179 4.162 4.340 0.002 0.000 0.305 226 R C 1.125 177.477 176.300 0.086 0.000 1.184 226 R CA 0.781 56.903 56.100 0.036 0.000 0.823 226 R CB -1.929 28.369 30.300 -0.004 0.000 1.285 226 R HN 0.541 nan 8.270 nan 0.000 0.499 227 G N -0.366 108.489 108.800 0.091 0.000 2.939 227 G HA2 0.212 4.173 3.960 0.002 0.000 0.216 227 G HA3 0.212 4.173 3.960 0.002 0.000 0.216 227 G C 0.380 175.386 174.900 0.176 0.000 1.125 227 G CA 0.018 45.199 45.100 0.135 0.000 0.766 227 G HN 0.084 nan 8.290 nan 0.000 0.541 228 V N 3.228 123.243 119.914 0.170 0.000 2.381 228 V HA 0.282 4.403 4.120 0.002 0.000 0.257 228 V C 0.206 176.456 176.094 0.260 0.000 1.057 228 V CA 0.040 62.486 62.300 0.243 0.000 1.013 228 V CB 0.058 32.033 31.823 0.253 0.000 1.069 228 V HN 0.136 nan 8.190 nan 0.000 0.484 229 L N 5.759 127.148 121.223 0.277 0.000 2.365 229 L HA 0.846 5.188 4.340 0.002 0.000 0.267 229 L C 0.162 177.096 176.870 0.106 0.000 1.033 229 L CA -0.906 54.037 54.840 0.171 0.000 0.802 229 L CB 1.578 43.709 42.059 0.120 0.000 1.267 229 L HN 0.715 nan 8.230 nan 0.000 0.457 230 R N 0.145 120.605 120.500 -0.067 0.000 2.663 230 R HA 0.465 4.807 4.340 0.002 0.000 0.267 230 R C -1.323 174.882 176.300 -0.159 0.000 1.038 230 R CA -0.982 54.956 56.100 -0.271 0.000 0.886 230 R CB 1.447 31.274 30.300 -0.789 0.000 1.249 230 R HN 0.383 nan 8.270 nan 0.000 0.463 231 R N 1.588 122.002 120.500 -0.143 0.000 2.539 231 R HA 0.531 4.873 4.340 0.002 0.000 0.275 231 R C -1.213 175.032 176.300 -0.092 0.000 1.077 231 R CA -0.393 55.653 56.100 -0.090 0.000 1.097 231 R CB 1.493 31.749 30.300 -0.073 0.000 1.018 231 R HN 0.476 nan 8.270 nan 0.000 0.483 232 V N 2.221 122.094 119.914 -0.068 0.000 2.851 232 V HA 0.477 4.599 4.120 0.002 0.000 0.290 232 V C -0.720 175.346 176.094 -0.046 0.000 1.330 232 V CA -0.513 61.753 62.300 -0.057 0.000 0.944 232 V CB 1.878 33.671 31.823 -0.051 0.000 1.090 232 V HN 0.980 nan 8.190 nan 0.000 0.436 233 A N 0.000 122.792 122.820 -0.046 0.000 2.254 233 A HA 0.000 4.321 4.320 0.002 0.000 0.244 233 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 233 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 233 A HN 0.000 nan 8.150 nan 0.000 0.486