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 3hai_1_C DATA FIRST_RESID 16 DATA SEQUENCE TDSFWEVGNY KRTVKRIDDG HRLCNDLMNC VQERAKIEKA YGQQLTDWAK DATA SEQUENCE RWRQLIEKGP QYGSLERAWG AIMTEADKVS ELHQEVKNNL LNEDLEKVKN DATA SEQUENCE WQKDAYHKQI MGGFKETKEA EDGFRKAQKP WAKKMKELEA AKKAYHLACK DATA SEQUENCE EEKLAMTREM NSKTEQSVTP EQQKKLQDKV DKCKQDVQKT QEKYEKVLED DATA SEQUENCE VGKTTPQYME NMEQVFEQCQ QFEEKRLVFL KEVLLDIKRH LNLAENSSYI DATA SEQUENCE HVYRELEQAI RGADAQEDLR WFRSTSGPGM PMNWP 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 16 T HA 0.000 nan 4.350 nan 0.000 0.228 16 T C 0.000 174.735 174.700 0.059 0.000 1.109 16 T CA 0.000 62.143 62.100 0.071 0.000 1.349 16 T CB 0.000 68.901 68.868 0.056 0.000 0.612 17 D N 1.506 121.938 120.400 0.053 0.000 2.643 17 D HA 0.382 5.024 4.640 0.004 0.000 0.244 17 D C 0.331 176.661 176.300 0.049 0.000 1.257 17 D CA -0.289 53.733 54.000 0.037 0.000 0.831 17 D CB 0.641 41.456 40.800 0.025 0.000 1.043 17 D HN 0.351 nan 8.370 nan 0.000 0.488 18 S N -0.332 115.417 115.700 0.082 0.000 2.584 18 S HA 0.233 4.705 4.470 0.004 0.000 0.273 18 S C 0.854 175.510 174.600 0.094 0.000 1.311 18 S CA -0.731 57.541 58.200 0.120 0.000 1.034 18 S CB 0.414 63.730 63.200 0.194 0.000 0.939 18 S HN 0.210 nan 8.310 nan 0.000 0.513 19 F N 3.288 123.156 119.950 -0.137 0.000 2.111 19 F HA -0.200 4.330 4.527 0.004 0.000 0.300 19 F C 1.082 176.691 175.800 -0.318 0.000 1.088 19 F CA 2.033 59.823 58.000 -0.350 0.000 1.243 19 F CB -0.151 38.466 39.000 -0.638 0.000 0.996 19 F HN 0.751 nan 8.300 nan 0.000 0.483 20 W N 0.856 122.145 121.300 -0.017 0.000 2.905 20 W HA 0.064 4.725 4.660 0.002 0.000 0.251 20 W C 0.790 177.336 176.519 0.045 0.000 1.305 20 W CA -0.284 57.011 57.345 -0.083 0.000 1.465 20 W CB -0.288 29.165 29.460 -0.012 0.000 1.122 20 W HN -0.213 nan 8.180 nan 0.000 0.659 21 E N 0.891 121.230 120.200 0.232 0.000 2.373 21 E HA 0.060 4.412 4.350 0.004 0.000 0.267 21 E C 0.342 177.036 176.600 0.157 0.000 1.032 21 E CA -0.209 56.324 56.400 0.223 0.000 0.889 21 E CB 1.618 31.404 29.700 0.143 0.000 0.984 21 E HN -0.280 nan 8.360 nan 0.000 0.425 22 V N 2.395 122.446 119.914 0.227 0.000 2.780 22 V HA -0.073 4.049 4.120 0.004 0.000 0.301 22 V C 1.605 177.720 176.094 0.034 0.000 1.168 22 V CA 2.198 64.607 62.300 0.181 0.000 1.305 22 V CB 0.016 31.936 31.823 0.163 0.000 0.858 22 V HN 1.072 nan 8.190 nan 0.000 0.502 23 G N 4.277 113.059 108.800 -0.030 0.000 2.199 23 G HA2 -0.269 3.693 3.960 0.004 0.000 0.254 23 G HA3 -0.269 3.693 3.960 0.004 0.000 0.254 23 G C 0.624 175.162 174.900 -0.603 0.000 0.982 23 G CA 0.327 45.237 45.100 -0.317 0.000 0.632 23 G HN 0.664 nan 8.290 nan 0.000 0.529 24 N N 0.340 118.795 118.700 -0.408 0.000 2.383 24 N HA 0.147 4.889 4.740 0.004 0.000 0.192 24 N C 1.609 176.865 175.510 -0.424 0.000 1.141 24 N CA 0.866 53.706 53.050 -0.351 0.000 0.851 24 N CB -0.391 37.984 38.487 -0.187 0.000 0.976 24 N HN 0.790 nan 8.380 nan 0.000 0.465 25 Y N -0.073 119.932 120.300 -0.492 0.000 2.571 25 Y HA 0.151 4.704 4.550 0.004 0.000 0.294 25 Y C 1.688 177.363 175.900 -0.373 0.000 1.141 25 Y CA 0.348 58.009 58.100 -0.732 0.000 1.308 25 Y CB -0.254 37.374 38.460 -1.387 0.000 1.002 25 Y HN -0.147 nan 8.280 nan 0.000 0.551 26 K N 1.180 121.331 120.400 -0.416 0.000 2.063 26 K HA -0.185 4.138 4.320 0.004 0.000 0.208 26 K C 2.011 178.602 176.600 -0.015 0.000 1.048 26 K CA 1.908 58.099 56.287 -0.160 0.000 0.928 26 K CB -0.268 32.105 32.500 -0.212 0.000 0.713 26 K HN 0.457 nan 8.250 nan 0.000 0.442 27 R N 0.012 120.500 120.500 -0.020 0.000 2.127 27 R HA -0.118 4.225 4.340 0.004 0.000 0.238 27 R C 2.433 178.787 176.300 0.091 0.000 1.134 27 R CA 1.666 57.787 56.100 0.036 0.000 0.975 27 R CB -0.370 29.950 30.300 0.033 0.000 0.865 27 R HN 0.222 nan 8.270 nan 0.000 0.447 28 T N -0.621 114.012 114.554 0.132 0.000 3.035 28 T HA 0.052 4.405 4.350 0.004 0.000 0.259 28 T C 1.802 176.639 174.700 0.229 0.000 1.078 28 T CA 0.322 62.547 62.100 0.208 0.000 1.132 28 T CB 0.164 69.246 68.868 0.356 0.000 0.900 28 T HN -0.019 nan 8.240 nan 0.000 0.480 29 V N 1.432 121.477 119.914 0.219 0.000 2.453 29 V HA -0.007 4.116 4.120 0.004 0.000 0.247 29 V C 2.648 178.864 176.094 0.203 0.000 1.048 29 V CA 1.728 64.185 62.300 0.262 0.000 1.049 29 V CB -0.483 31.520 31.823 0.300 0.000 0.672 29 V HN 0.458 nan 8.190 nan 0.000 0.457 30 K N 0.251 120.741 120.400 0.149 0.000 2.147 30 K HA -0.222 4.101 4.320 0.004 0.000 0.205 30 K C 2.312 178.993 176.600 0.134 0.000 1.049 30 K CA 1.440 57.803 56.287 0.128 0.000 0.936 30 K CB -0.109 32.443 32.500 0.086 0.000 0.722 30 K HN 0.318 nan 8.250 nan 0.000 0.446 31 R N 0.960 121.540 120.500 0.134 0.000 2.139 31 R HA -0.122 4.220 4.340 0.004 0.000 0.243 31 R C 1.920 178.315 176.300 0.158 0.000 1.145 31 R CA 1.433 57.607 56.100 0.123 0.000 0.976 31 R CB -0.189 30.179 30.300 0.113 0.000 0.866 31 R HN 0.242 nan 8.270 nan 0.000 0.449 32 I N 0.189 120.888 120.570 0.214 0.000 2.233 32 I HA -0.203 3.969 4.170 0.004 0.000 0.243 32 I C 1.599 177.898 176.117 0.304 0.000 1.093 32 I CA 1.093 62.576 61.300 0.304 0.000 1.380 32 I CB -0.487 37.702 38.000 0.316 0.000 1.067 32 I HN 0.159 nan 8.210 nan 0.000 0.413 33 D N 1.256 121.793 120.400 0.229 0.000 2.123 33 D HA -0.180 4.462 4.640 0.004 0.000 0.196 33 D C 1.762 178.136 176.300 0.123 0.000 0.992 33 D CA 1.334 55.441 54.000 0.178 0.000 0.833 33 D CB -0.295 40.622 40.800 0.194 0.000 0.954 33 D HN 0.296 nan 8.370 nan 0.000 0.455 34 D N 0.066 120.537 120.400 0.119 0.000 2.084 34 D HA -0.109 4.533 4.640 0.004 0.000 0.194 34 D C 2.191 178.524 176.300 0.055 0.000 0.990 34 D CA 1.370 55.416 54.000 0.077 0.000 0.826 34 D CB -0.812 40.027 40.800 0.065 0.000 0.971 34 D HN 0.250 nan 8.370 nan 0.000 0.453 35 G N 0.127 108.987 108.800 0.100 0.000 2.663 35 G HA2 -0.402 3.560 3.960 0.004 0.000 0.222 35 G HA3 -0.402 3.560 3.960 0.004 0.000 0.222 35 G C 1.516 176.407 174.900 -0.015 0.000 1.146 35 G CA 1.950 47.120 45.100 0.117 0.000 0.764 35 G HN 0.413 nan 8.290 nan 0.000 0.608 36 H N 1.424 120.269 119.070 -0.376 0.000 2.270 36 H HA -0.121 4.437 4.556 0.003 0.000 0.299 36 H C 2.759 177.889 175.328 -0.330 0.000 1.077 36 H CA 2.446 57.990 56.048 -0.841 0.000 1.294 36 H CB -0.157 28.876 29.762 -1.216 0.000 1.371 36 H HN 0.397 nan 8.280 nan 0.000 0.491 37 R N 0.502 120.958 120.500 -0.073 0.000 2.096 37 R HA -0.081 4.262 4.340 0.004 0.000 0.235 37 R C 1.871 178.127 176.300 -0.073 0.000 1.127 37 R CA 1.653 57.735 56.100 -0.031 0.000 0.968 37 R CB -0.874 29.457 30.300 0.051 0.000 0.861 37 R HN 0.317 nan 8.270 nan 0.000 0.440 38 L N 0.354 121.538 121.223 -0.065 0.000 2.349 38 L HA -0.157 4.186 4.340 0.004 0.000 0.220 38 L C 2.055 178.869 176.870 -0.093 0.000 1.130 38 L CA 1.076 55.877 54.840 -0.065 0.000 0.791 38 L CB -1.192 40.837 42.059 -0.051 0.000 0.918 38 L HN 0.482 nan 8.230 nan 0.000 0.444 39 C N -0.567 118.650 119.300 -0.139 0.000 2.518 39 C HA -0.059 4.403 4.460 0.004 0.000 0.279 39 C C 2.604 177.521 174.990 -0.121 0.000 1.279 39 C CA 0.052 58.994 59.018 -0.127 0.000 1.703 39 C CB -0.562 27.076 27.740 -0.170 0.000 2.072 39 C HN 0.572 nan 8.230 nan 0.000 0.487 40 N N 1.631 120.227 118.700 -0.173 0.000 2.011 40 N HA -0.153 4.589 4.740 0.004 0.000 0.199 40 N C 1.135 176.609 175.510 -0.060 0.000 1.047 40 N CA 1.822 54.810 53.050 -0.103 0.000 0.863 40 N CB -0.917 37.524 38.487 -0.078 0.000 1.056 40 N HN 0.477 nan 8.380 nan 0.000 0.427 41 D N 1.195 121.562 120.400 -0.054 0.000 2.230 41 D HA -0.192 4.450 4.640 0.004 0.000 0.189 41 D C 2.014 178.288 176.300 -0.044 0.000 1.006 41 D CA 0.648 54.624 54.000 -0.041 0.000 0.853 41 D CB -0.651 40.125 40.800 -0.040 0.000 0.959 41 D HN 0.125 nan 8.370 nan 0.000 0.449 42 L N 0.272 121.460 121.223 -0.058 0.000 1.989 42 L HA -0.199 4.144 4.340 0.004 0.000 0.211 42 L C 2.356 179.197 176.870 -0.048 0.000 1.071 42 L CA 1.588 56.390 54.840 -0.063 0.000 0.749 42 L CB -0.713 41.294 42.059 -0.086 0.000 0.890 42 L HN 0.181 nan 8.230 nan 0.000 0.431 43 M N -0.148 119.429 119.600 -0.038 0.000 2.088 43 M HA -0.343 4.139 4.480 0.004 0.000 0.256 43 M C 1.899 178.186 176.300 -0.021 0.000 1.071 43 M CA 2.638 57.925 55.300 -0.022 0.000 1.097 43 M CB -0.648 31.945 32.600 -0.011 0.000 1.315 43 M HN 0.431 nan 8.290 nan 0.000 0.406 44 N N -0.665 118.023 118.700 -0.021 0.000 2.104 44 N HA -0.214 4.528 4.740 0.004 0.000 0.190 44 N C 1.843 177.343 175.510 -0.017 0.000 1.024 44 N CA 1.357 54.398 53.050 -0.014 0.000 0.853 44 N CB -0.286 38.194 38.487 -0.012 0.000 1.008 44 N HN 0.453 nan 8.380 nan 0.000 0.424 45 C N 0.362 119.647 119.300 -0.024 0.000 2.432 45 C HA -0.043 4.419 4.460 0.004 0.000 0.277 45 C C 2.599 177.573 174.990 -0.027 0.000 1.249 45 C CA 0.564 59.566 59.018 -0.027 0.000 1.725 45 C CB -0.927 26.792 27.740 -0.036 0.000 2.028 45 C HN 0.234 nan 8.230 nan 0.000 0.477 46 V N 0.518 120.413 119.914 -0.032 0.000 2.515 46 V HA -0.228 3.894 4.120 0.004 0.000 0.250 46 V C 2.453 178.533 176.094 -0.025 0.000 1.058 46 V CA 2.226 64.506 62.300 -0.033 0.000 1.064 46 V CB -0.932 30.868 31.823 -0.039 0.000 0.675 46 V HN 0.673 nan 8.190 nan 0.000 0.461 47 Q N -0.033 119.757 119.800 -0.017 0.000 2.016 47 Q HA -0.198 4.144 4.340 0.004 0.000 0.200 47 Q C 2.296 178.294 176.000 -0.004 0.000 0.978 47 Q CA 1.842 57.639 55.803 -0.010 0.000 0.833 47 Q CB -0.018 28.717 28.738 -0.005 0.000 0.895 47 Q HN 0.739 nan 8.270 nan 0.000 0.427 48 E N 0.311 120.509 120.200 -0.004 0.000 2.012 48 E HA -0.257 4.095 4.350 0.004 0.000 0.197 48 E C 2.031 178.633 176.600 0.003 0.000 1.007 48 E CA 1.238 57.639 56.400 0.001 0.000 0.816 48 E CB -0.323 29.376 29.700 -0.001 0.000 0.762 48 E HN 0.130 nan 8.360 nan 0.000 0.451 49 R N 0.963 121.460 120.500 -0.005 0.000 2.397 49 R HA -0.101 4.241 4.340 0.004 0.000 0.213 49 R C 1.646 177.944 176.300 -0.003 0.000 1.102 49 R CA 1.046 57.143 56.100 -0.005 0.000 1.040 49 R CB -0.228 30.061 30.300 -0.017 0.000 0.844 49 R HN 0.224 nan 8.270 nan 0.000 0.478 50 A N -0.153 122.666 122.820 -0.003 0.000 1.911 50 A HA 0.006 4.328 4.320 0.004 0.000 0.212 50 A C 1.947 179.542 177.584 0.019 0.000 1.189 50 A CA 0.823 52.859 52.037 -0.001 0.000 0.639 50 A CB -0.310 18.683 19.000 -0.012 0.000 0.839 50 A HN 0.336 nan 8.150 nan 0.000 0.449 51 K N 0.026 120.438 120.400 0.020 0.000 2.002 51 K HA -0.052 4.270 4.320 0.004 0.000 0.209 51 K C 1.778 178.407 176.600 0.048 0.000 1.048 51 K CA 1.565 57.870 56.287 0.031 0.000 0.930 51 K CB -0.305 32.209 32.500 0.024 0.000 0.714 51 K HN 0.447 nan 8.250 nan 0.000 0.438 52 I N 1.302 121.899 120.570 0.045 0.000 2.335 52 I HA -0.256 3.917 4.170 0.004 0.000 0.251 52 I C 2.162 178.336 176.117 0.095 0.000 1.129 52 I CA 1.201 62.538 61.300 0.061 0.000 1.402 52 I CB -0.171 37.855 38.000 0.043 0.000 1.069 52 I HN 0.317 nan 8.210 nan 0.000 0.424 53 E N 0.513 120.765 120.200 0.087 0.000 2.158 53 E HA -0.202 4.150 4.350 0.004 0.000 0.191 53 E C 2.047 178.750 176.600 0.171 0.000 0.982 53 E CA 0.704 57.184 56.400 0.133 0.000 0.823 53 E CB 0.011 29.755 29.700 0.073 0.000 0.766 53 E HN 0.470 nan 8.360 nan 0.000 0.468 54 K N 0.891 121.360 120.400 0.116 0.000 2.076 54 K HA -0.022 4.301 4.320 0.004 0.000 0.204 54 K C 2.138 178.808 176.600 0.118 0.000 1.051 54 K CA 0.913 57.267 56.287 0.112 0.000 0.949 54 K CB -0.026 32.516 32.500 0.070 0.000 0.726 54 K HN -0.017 nan 8.250 nan 0.000 0.443 55 A N 1.474 124.354 122.820 0.101 0.000 1.863 55 A HA -0.299 4.023 4.320 0.004 0.000 0.218 55 A C 2.039 179.678 177.584 0.091 0.000 1.233 55 A CA 2.075 54.161 52.037 0.081 0.000 0.655 55 A CB -1.542 17.502 19.000 0.073 0.000 0.839 55 A HN 0.606 nan 8.150 nan 0.000 0.454 56 Y N 0.501 120.797 120.300 -0.007 0.000 2.073 56 Y HA -0.344 4.209 4.550 0.004 0.000 0.270 56 Y C 2.488 178.356 175.900 -0.053 0.000 1.226 56 Y CA 2.391 60.455 58.100 -0.060 0.000 1.117 56 Y CB -0.781 37.603 38.460 -0.127 0.000 0.939 56 Y HN 0.281 nan 8.280 nan 0.000 0.504 57 G N -0.816 108.114 108.800 0.216 0.000 2.432 57 G HA2 -0.225 3.738 3.960 0.004 0.000 0.219 57 G HA3 -0.225 3.738 3.960 0.004 0.000 0.219 57 G C 1.461 176.400 174.900 0.065 0.000 1.135 57 G CA 0.847 46.050 45.100 0.171 0.000 0.767 57 G HN 0.389 nan 8.290 nan 0.000 0.550 58 Q N 0.033 119.861 119.800 0.046 0.000 1.994 58 Q HA -0.042 4.300 4.340 0.004 0.000 0.198 58 Q C 2.754 178.764 176.000 0.016 0.000 0.976 58 Q CA 1.228 57.052 55.803 0.034 0.000 0.828 58 Q CB -0.455 28.305 28.738 0.035 0.000 0.894 58 Q HN 0.573 nan 8.270 nan 0.000 0.432 59 Q N 0.008 119.795 119.800 -0.021 0.000 2.112 59 Q HA -0.152 4.190 4.340 0.004 0.000 0.206 59 Q C 2.146 178.145 176.000 -0.001 0.000 0.987 59 Q CA 0.922 56.715 55.803 -0.015 0.000 0.858 59 Q CB -0.077 28.620 28.738 -0.070 0.000 0.905 59 Q HN 0.237 nan 8.270 nan 0.000 0.420 60 L N 0.222 121.364 121.223 -0.135 0.000 2.043 60 L HA -0.228 4.114 4.340 0.004 0.000 0.212 60 L C 2.229 179.157 176.870 0.096 0.000 1.075 60 L CA 2.130 56.909 54.840 -0.101 0.000 0.752 60 L CB -1.580 40.377 42.059 -0.171 0.000 0.891 60 L HN 0.407 nan 8.230 nan 0.000 0.432 61 T N -1.420 113.180 114.554 0.078 0.000 2.777 61 T HA -0.127 4.226 4.350 0.004 0.000 0.266 61 T C 1.500 176.268 174.700 0.113 0.000 1.040 61 T CA 1.139 63.296 62.100 0.096 0.000 1.141 61 T CB -0.171 68.737 68.868 0.067 0.000 0.868 61 T HN 0.249 nan 8.240 nan 0.000 0.444 62 D N 0.038 120.504 120.400 0.110 0.000 2.117 62 D HA -0.060 4.582 4.640 0.004 0.000 0.198 62 D C 1.585 177.982 176.300 0.161 0.000 0.982 62 D CA 0.633 54.693 54.000 0.100 0.000 0.828 62 D CB -0.395 40.454 40.800 0.082 0.000 0.967 62 D HN 0.483 nan 8.370 nan 0.000 0.464 63 W N 2.058 123.384 121.300 0.043 0.000 2.333 63 W HA -0.202 4.461 4.660 0.004 0.000 0.316 63 W C 2.493 179.126 176.519 0.190 0.000 1.215 63 W CA 2.654 60.078 57.345 0.132 0.000 1.278 63 W CB -0.452 29.042 29.460 0.056 0.000 1.154 63 W HN -0.029 nan 8.180 nan 0.000 0.486 64 A N 0.454 123.512 122.820 0.397 0.000 1.917 64 A HA -0.290 4.032 4.320 0.004 0.000 0.219 64 A C 2.082 179.677 177.584 0.018 0.000 1.182 64 A CA 2.262 54.416 52.037 0.196 0.000 0.633 64 A CB -1.098 18.036 19.000 0.223 0.000 0.819 64 A HN 0.434 nan 8.150 nan 0.000 0.448 65 K N -0.442 119.972 120.400 0.024 0.000 2.002 65 K HA -0.195 4.127 4.320 0.004 0.000 0.209 65 K C 2.371 178.898 176.600 -0.123 0.000 1.048 65 K CA 1.550 57.813 56.287 -0.040 0.000 0.930 65 K CB -0.280 32.205 32.500 -0.025 0.000 0.714 65 K HN 0.448 nan 8.250 nan 0.000 0.438 66 R N -0.482 119.917 120.500 -0.167 0.000 2.091 66 R HA -0.172 4.170 4.340 0.004 0.000 0.238 66 R C 1.868 177.850 176.300 -0.532 0.000 1.136 66 R CA 2.115 58.002 56.100 -0.355 0.000 0.959 66 R CB -0.295 29.742 30.300 -0.437 0.000 0.856 66 R HN 0.330 nan 8.270 nan 0.000 0.437 67 W N 0.115 121.152 121.300 -0.438 0.000 2.481 67 W HA 0.167 4.829 4.660 0.004 0.000 0.293 67 W C 2.386 178.623 176.519 -0.470 0.000 1.201 67 W CA 0.275 57.297 57.345 -0.539 0.000 1.328 67 W CB -0.194 28.779 29.460 -0.812 0.000 1.112 67 W HN -0.009 nan 8.180 nan 0.000 0.546 68 R N 0.631 121.025 120.500 -0.177 0.000 2.211 68 R HA -0.245 4.097 4.340 0.004 0.000 0.240 68 R C 2.052 178.246 176.300 -0.176 0.000 1.144 68 R CA 1.780 57.776 56.100 -0.174 0.000 0.992 68 R CB -0.298 29.936 30.300 -0.110 0.000 0.869 68 R HN 0.402 nan 8.270 nan 0.000 0.462 69 Q N 0.459 120.138 119.800 -0.201 0.000 2.036 69 Q HA -0.077 4.266 4.340 0.004 0.000 0.195 69 Q C 2.164 178.032 176.000 -0.221 0.000 0.971 69 Q CA 0.725 56.412 55.803 -0.193 0.000 0.826 69 Q CB 0.054 28.668 28.738 -0.207 0.000 0.896 69 Q HN 0.280 nan 8.270 nan 0.000 0.449 70 L N 1.266 122.297 121.223 -0.320 0.000 1.971 70 L HA -0.247 4.095 4.340 0.004 0.000 0.215 70 L C 2.689 179.427 176.870 -0.220 0.000 1.072 70 L CA 1.754 56.400 54.840 -0.324 0.000 0.758 70 L CB -0.835 40.892 42.059 -0.553 0.000 0.889 70 L HN 0.491 nan 8.230 nan 0.000 0.433 71 I N -2.288 118.112 120.570 -0.283 0.000 2.916 71 I HA -0.187 3.985 4.170 0.004 0.000 0.267 71 I C 2.240 178.272 176.117 -0.141 0.000 1.263 71 I CA 1.236 62.367 61.300 -0.283 0.000 1.471 71 I CB -0.318 37.301 38.000 -0.634 0.000 1.089 71 I HN 0.372 nan 8.210 nan 0.000 0.468 72 E N 1.976 122.094 120.200 -0.137 0.000 2.072 72 E HA -0.219 4.134 4.350 0.004 0.000 0.190 72 E C 1.760 178.333 176.600 -0.045 0.000 0.982 72 E CA 0.750 57.103 56.400 -0.078 0.000 0.803 72 E CB 0.073 29.723 29.700 -0.084 0.000 0.755 72 E HN 0.513 nan 8.360 nan 0.000 0.453 73 K N 0.515 120.877 120.400 -0.063 0.000 2.469 73 K HA 0.105 4.427 4.320 0.004 0.000 0.201 73 K C 0.184 176.781 176.600 -0.005 0.000 1.028 73 K CA -0.079 56.187 56.287 -0.035 0.000 1.170 73 K CB 0.339 32.805 32.500 -0.057 0.000 0.874 73 K HN 0.054 nan 8.250 nan 0.000 0.507 74 G N 1.064 109.870 108.800 0.009 0.000 2.537 74 G HA2 0.162 4.125 3.960 0.004 0.000 0.273 74 G HA3 0.162 4.125 3.960 0.004 0.000 0.273 74 G C -1.901 173.081 174.900 0.137 0.000 1.189 74 G CA -1.109 44.038 45.100 0.077 0.000 0.881 74 G HN 0.053 nan 8.290 nan 0.000 0.535 75 P HA 0.007 nan 4.420 nan 0.000 0.225 75 P C 0.629 178.163 177.300 0.389 0.000 1.156 75 P CA 0.363 63.617 63.100 0.257 0.000 0.787 75 P CB 0.262 32.102 31.700 0.233 0.000 0.802 76 Q N 0.285 120.266 119.800 0.302 0.000 2.274 76 Q HA -0.048 4.294 4.340 0.004 0.000 0.280 76 Q C 0.092 176.208 176.000 0.193 0.000 1.047 76 Q CA 0.622 56.548 55.803 0.205 0.000 0.907 76 Q CB -0.019 28.881 28.738 0.270 0.000 1.171 76 Q HN 0.371 nan 8.270 nan 0.000 0.381 77 Y N 1.430 121.825 120.300 0.158 0.000 2.540 77 Y HA 0.568 5.121 4.550 0.004 0.000 0.257 77 Y C 0.578 176.432 175.900 -0.076 0.000 1.090 77 Y CA -0.328 57.840 58.100 0.114 0.000 1.242 77 Y CB 0.035 38.678 38.460 0.304 0.000 1.325 77 Y HN 0.496 nan 8.280 nan 0.000 0.544 78 G N 0.353 109.015 108.800 -0.229 0.000 2.828 78 G HA2 0.321 4.283 3.960 0.004 0.000 0.244 78 G HA3 0.321 4.283 3.960 0.004 0.000 0.244 78 G C 0.075 174.866 174.900 -0.183 0.000 1.365 78 G CA -0.471 44.495 45.100 -0.223 0.000 1.041 78 G HN 0.065 nan 8.290 nan 0.000 0.560 79 S N 0.052 115.664 115.700 -0.147 0.000 2.803 79 S HA 0.090 4.562 4.470 0.004 0.000 0.226 79 S C 1.476 176.039 174.600 -0.062 0.000 0.962 79 S CA 0.028 58.171 58.200 -0.095 0.000 0.968 79 S CB -0.279 62.878 63.200 -0.071 0.000 0.786 79 S HN 0.313 nan 8.310 nan 0.000 0.527 80 L N 0.468 121.646 121.223 -0.075 0.000 2.642 80 L HA 0.112 4.454 4.340 0.004 0.000 0.233 80 L C 2.488 179.383 176.870 0.040 0.000 1.077 80 L CA 0.391 55.203 54.840 -0.048 0.000 0.879 80 L CB -0.002 41.993 42.059 -0.106 0.000 1.151 80 L HN 0.423 nan 8.230 nan 0.000 0.495 81 E N 0.672 120.900 120.200 0.045 0.000 2.046 81 E HA -0.194 4.158 4.350 0.004 0.000 0.190 81 E C 1.962 178.638 176.600 0.127 0.000 0.982 81 E CA 0.626 57.120 56.400 0.157 0.000 0.800 81 E CB -0.126 29.626 29.700 0.086 0.000 0.756 81 E HN 0.361 nan 8.360 nan 0.000 0.449 82 R N 1.043 121.569 120.500 0.042 0.000 2.081 82 R HA -0.041 4.301 4.340 0.004 0.000 0.235 82 R C 2.612 178.952 176.300 0.066 0.000 1.131 82 R CA 1.255 57.372 56.100 0.028 0.000 0.960 82 R CB -0.652 29.642 30.300 -0.010 0.000 0.856 82 R HN 0.275 nan 8.270 nan 0.000 0.436 83 A N 0.874 123.733 122.820 0.065 0.000 2.032 83 A HA -0.196 4.127 4.320 0.004 0.000 0.221 83 A C 1.700 179.378 177.584 0.158 0.000 1.165 83 A CA 1.194 53.273 52.037 0.070 0.000 0.645 83 A CB -0.629 18.385 19.000 0.023 0.000 0.807 83 A HN 0.573 nan 8.150 nan 0.000 0.453 84 W N 0.324 121.602 121.300 -0.036 0.000 2.539 84 W HA 0.136 4.798 4.660 0.004 0.000 0.281 84 W C 2.123 178.631 176.519 -0.019 0.000 1.220 84 W CA 0.611 57.938 57.345 -0.030 0.000 1.332 84 W CB -0.923 28.517 29.460 -0.033 0.000 1.095 84 W HN 0.276 nan 8.180 nan 0.000 0.571 85 G N 0.975 109.869 108.800 0.156 0.000 2.485 85 G HA2 -0.246 3.716 3.960 0.004 0.000 0.221 85 G HA3 -0.246 3.716 3.960 0.004 0.000 0.221 85 G C 1.696 176.626 174.900 0.050 0.000 1.115 85 G CA 1.692 46.801 45.100 0.015 0.000 0.751 85 G HN 0.335 nan 8.290 nan 0.000 0.567 86 A N 1.088 123.960 122.820 0.087 0.000 1.873 86 A HA -0.091 4.231 4.320 0.004 0.000 0.218 86 A C 2.160 179.784 177.584 0.068 0.000 1.193 86 A CA 1.724 53.797 52.037 0.059 0.000 0.629 86 A CB -0.384 18.647 19.000 0.052 0.000 0.826 86 A HN 0.347 nan 8.150 nan 0.000 0.447 87 I N -0.160 120.494 120.570 0.140 0.000 3.083 87 I HA -0.161 4.012 4.170 0.004 0.000 0.273 87 I C 2.086 178.373 176.117 0.284 0.000 1.297 87 I CA 0.704 62.116 61.300 0.187 0.000 1.452 87 I CB -0.421 37.756 38.000 0.295 0.000 1.078 87 I HN 0.240 nan 8.210 nan 0.000 0.484 88 M N -0.302 119.399 119.600 0.168 0.000 2.257 88 M HA -0.004 4.478 4.480 0.004 0.000 0.260 88 M C 2.641 179.010 176.300 0.114 0.000 1.102 88 M CA 1.978 57.369 55.300 0.152 0.000 1.169 88 M CB -2.000 30.600 32.600 0.001 0.000 1.323 88 M HN 0.410 nan 8.290 nan 0.000 0.447 89 T N 0.107 114.692 114.554 0.051 0.000 2.822 89 T HA -0.220 4.132 4.350 0.004 0.000 0.270 89 T C 1.535 176.241 174.700 0.009 0.000 1.064 89 T CA 1.938 64.053 62.100 0.025 0.000 1.131 89 T CB -0.479 68.392 68.868 0.005 0.000 0.858 89 T HN 0.507 nan 8.240 nan 0.000 0.483 90 E N 2.392 122.585 120.200 -0.011 0.000 2.072 90 E HA 0.060 4.413 4.350 0.004 0.000 0.191 90 E C 2.365 178.939 176.600 -0.044 0.000 0.985 90 E CA 1.229 57.567 56.400 -0.104 0.000 0.801 90 E CB -0.983 28.587 29.700 -0.217 0.000 0.750 90 E HN 0.582 nan 8.360 nan 0.000 0.452 91 A N 0.956 123.802 122.820 0.043 0.000 1.930 91 A HA -0.190 4.132 4.320 0.004 0.000 0.217 91 A C 1.866 179.501 177.584 0.084 0.000 1.175 91 A CA 1.681 53.755 52.037 0.060 0.000 0.627 91 A CB -0.722 18.376 19.000 0.162 0.000 0.815 91 A HN 0.292 nan 8.150 nan 0.000 0.443 92 D N 0.061 120.513 120.400 0.087 0.000 2.106 92 D HA -0.157 4.485 4.640 0.004 0.000 0.191 92 D C 1.930 178.271 176.300 0.069 0.000 0.997 92 D CA 1.602 55.646 54.000 0.073 0.000 0.834 92 D CB -0.278 40.553 40.800 0.053 0.000 0.956 92 D HN 0.492 nan 8.370 nan 0.000 0.448 93 K N 0.195 120.622 120.400 0.045 0.000 2.097 93 K HA -0.056 4.267 4.320 0.004 0.000 0.206 93 K C 2.146 178.813 176.600 0.112 0.000 1.049 93 K CA 0.472 56.788 56.287 0.049 0.000 0.933 93 K CB -0.039 32.460 32.500 -0.001 0.000 0.717 93 K HN 0.014 nan 8.250 nan 0.000 0.442 94 V N 1.625 121.616 119.914 0.129 0.000 2.515 94 V HA -0.243 3.880 4.120 0.004 0.000 0.250 94 V C 2.491 178.767 176.094 0.303 0.000 1.058 94 V CA 2.065 64.520 62.300 0.258 0.000 1.064 94 V CB -0.362 31.615 31.823 0.256 0.000 0.675 94 V HN 0.440 nan 8.190 nan 0.000 0.461 95 S N 0.141 115.965 115.700 0.207 0.000 2.345 95 S HA -0.279 4.193 4.470 0.004 0.000 0.220 95 S C 1.946 176.664 174.600 0.197 0.000 1.031 95 S CA 1.677 60.001 58.200 0.207 0.000 0.996 95 S CB -0.540 62.738 63.200 0.131 0.000 0.882 95 S HN 0.645 nan 8.310 nan 0.000 0.445 96 E N 0.589 120.873 120.200 0.140 0.000 2.070 96 E HA -0.139 4.213 4.350 0.004 0.000 0.197 96 E C 2.065 178.734 176.600 0.115 0.000 1.004 96 E CA 1.468 57.931 56.400 0.106 0.000 0.805 96 E CB -0.189 29.556 29.700 0.074 0.000 0.744 96 E HN 0.400 nan 8.360 nan 0.000 0.451 97 L N 0.286 121.598 121.223 0.149 0.000 2.093 97 L HA -0.169 4.173 4.340 0.004 0.000 0.208 97 L C 2.283 179.197 176.870 0.072 0.000 1.085 97 L CA 1.631 56.545 54.840 0.124 0.000 0.755 97 L CB -1.075 41.104 42.059 0.200 0.000 0.904 97 L HN 0.393 nan 8.230 nan 0.000 0.435 98 H N -0.902 118.221 119.070 0.089 0.000 2.535 98 H HA -0.012 4.547 4.556 0.004 0.000 0.273 98 H C 1.965 177.326 175.328 0.054 0.000 0.983 98 H CA 0.488 56.571 56.048 0.058 0.000 1.238 98 H CB 0.813 30.634 29.762 0.098 0.000 1.412 98 H HN 0.372 nan 8.280 nan 0.000 0.562 99 Q N 0.512 120.402 119.800 0.150 0.000 2.163 99 Q HA -0.082 4.261 4.340 0.004 0.000 0.198 99 Q C 2.035 178.060 176.000 0.043 0.000 0.954 99 Q CA 0.452 56.312 55.803 0.094 0.000 0.851 99 Q CB 0.061 28.852 28.738 0.088 0.000 0.928 99 Q HN 0.571 nan 8.270 nan 0.000 0.459 100 E N 0.327 120.546 120.200 0.032 0.000 2.118 100 E HA -0.144 4.208 4.350 0.004 0.000 0.195 100 E C 1.977 178.564 176.600 -0.021 0.000 0.992 100 E CA 1.006 57.410 56.400 0.008 0.000 0.804 100 E CB 0.284 29.994 29.700 0.018 0.000 0.741 100 E HN 0.063 nan 8.360 nan 0.000 0.458 101 V N 1.784 121.673 119.914 -0.041 0.000 2.343 101 V HA -0.290 3.832 4.120 0.004 0.000 0.247 101 V C 2.549 178.607 176.094 -0.061 0.000 1.051 101 V CA 2.178 64.438 62.300 -0.068 0.000 1.036 101 V CB -0.593 31.151 31.823 -0.131 0.000 0.654 101 V HN 0.313 nan 8.190 nan 0.000 0.451 102 K N 0.497 120.882 120.400 -0.025 0.000 1.987 102 K HA -0.287 4.036 4.320 0.004 0.000 0.216 102 K C 1.933 178.506 176.600 -0.047 0.000 1.051 102 K CA 2.509 58.785 56.287 -0.019 0.000 0.942 102 K CB -0.425 32.084 32.500 0.016 0.000 0.722 102 K HN 0.495 nan 8.250 nan 0.000 0.444 103 N N 1.122 119.800 118.700 -0.037 0.000 2.023 103 N HA -0.206 4.536 4.740 0.004 0.000 0.200 103 N C 1.600 177.042 175.510 -0.113 0.000 1.048 103 N CA 2.231 55.251 53.050 -0.051 0.000 0.872 103 N CB -0.475 37.995 38.487 -0.029 0.000 1.070 103 N HN 0.293 nan 8.380 nan 0.000 0.441 104 N N 0.421 119.018 118.700 -0.171 0.000 2.184 104 N HA -0.144 4.598 4.740 0.004 0.000 0.190 104 N C 1.634 176.875 175.510 -0.449 0.000 1.011 104 N CA 0.754 53.561 53.050 -0.405 0.000 0.867 104 N CB -0.411 37.725 38.487 -0.586 0.000 0.993 104 N HN 0.316 nan 8.380 nan 0.000 0.433 105 L N 0.084 121.152 121.223 -0.257 0.000 2.056 105 L HA -0.081 4.261 4.340 0.004 0.000 0.207 105 L C 2.145 178.945 176.870 -0.117 0.000 1.078 105 L CA 0.863 55.602 54.840 -0.168 0.000 0.749 105 L CB -0.257 41.746 42.059 -0.093 0.000 0.901 105 L HN 0.150 nan 8.230 nan 0.000 0.433 106 L N -0.983 120.184 121.223 -0.093 0.000 2.145 106 L HA -0.058 4.284 4.340 0.004 0.000 0.201 106 L C 2.237 179.078 176.870 -0.048 0.000 1.075 106 L CA 0.602 55.410 54.840 -0.053 0.000 0.773 106 L CB -0.454 41.585 42.059 -0.033 0.000 0.936 106 L HN 0.257 nan 8.230 nan 0.000 0.451 107 N N -0.425 118.238 118.700 -0.063 0.000 2.188 107 N HA -0.121 4.621 4.740 0.004 0.000 0.184 107 N C 1.631 177.115 175.510 -0.042 0.000 1.018 107 N CA 1.028 54.052 53.050 -0.043 0.000 0.858 107 N CB 0.127 38.589 38.487 -0.043 0.000 0.989 107 N HN 0.336 nan 8.380 nan 0.000 0.426 108 E N 0.449 120.593 120.200 -0.093 0.000 2.118 108 E HA 0.033 4.385 4.350 0.004 0.000 0.203 108 E C 1.098 177.679 176.600 -0.032 0.000 0.958 108 E CA 0.130 56.492 56.400 -0.063 0.000 0.957 108 E CB -0.235 29.393 29.700 -0.120 0.000 1.205 108 E HN 0.154 nan 8.360 nan 0.000 0.494 109 D N 1.463 121.814 120.400 -0.081 0.000 2.149 109 D HA -0.186 4.456 4.640 0.004 0.000 0.194 109 D C 2.095 178.392 176.300 -0.005 0.000 1.001 109 D CA 0.941 54.925 54.000 -0.028 0.000 0.849 109 D CB -0.172 40.597 40.800 -0.051 0.000 0.939 109 D HN 0.043 nan 8.370 nan 0.000 0.449 110 L N 1.170 122.382 121.223 -0.019 0.000 2.056 110 L HA -0.113 4.229 4.340 0.004 0.000 0.207 110 L C 2.066 178.961 176.870 0.042 0.000 1.078 110 L CA 1.767 56.610 54.840 0.005 0.000 0.749 110 L CB -0.454 41.599 42.059 -0.010 0.000 0.901 110 L HN -0.228 nan 8.230 nan 0.000 0.433 111 E N -0.301 119.923 120.200 0.039 0.000 2.208 111 E HA -0.211 4.142 4.350 0.004 0.000 0.193 111 E C 2.189 178.853 176.600 0.107 0.000 0.988 111 E CA 1.026 57.463 56.400 0.061 0.000 0.828 111 E CB -0.057 29.669 29.700 0.043 0.000 0.763 111 E HN 0.491 nan 8.360 nan 0.000 0.478 112 K N -0.631 119.848 120.400 0.131 0.000 2.025 112 K HA -0.061 4.261 4.320 0.004 0.000 0.207 112 K C 1.701 178.519 176.600 0.364 0.000 1.049 112 K CA 1.304 57.727 56.287 0.226 0.000 0.933 112 K CB 0.033 32.657 32.500 0.207 0.000 0.714 112 K HN 0.009 nan 8.250 nan 0.000 0.438 113 V N 1.770 121.872 119.914 0.313 0.000 2.913 113 V HA -0.159 3.964 4.120 0.004 0.000 0.260 113 V C 2.210 178.471 176.094 0.279 0.000 1.098 113 V CA 1.473 64.005 62.300 0.386 0.000 1.121 113 V CB -0.390 31.537 31.823 0.173 0.000 0.714 113 V HN 0.364 nan 8.190 nan 0.000 0.487 114 K N 0.468 120.978 120.400 0.184 0.000 2.029 114 K HA -0.098 4.225 4.320 0.004 0.000 0.205 114 K C 2.057 178.732 176.600 0.125 0.000 1.042 114 K CA 1.071 57.433 56.287 0.125 0.000 0.949 114 K CB -0.146 32.403 32.500 0.081 0.000 0.740 114 K HN 0.360 nan 8.250 nan 0.000 0.442 115 N N 0.789 119.560 118.700 0.118 0.000 2.061 115 N HA -0.239 4.504 4.740 0.004 0.000 0.193 115 N C 1.535 177.071 175.510 0.043 0.000 1.030 115 N CA 1.639 54.735 53.050 0.078 0.000 0.856 115 N CB -0.629 37.907 38.487 0.082 0.000 1.023 115 N HN 0.409 nan 8.380 nan 0.000 0.424 116 W N 2.321 123.536 121.300 -0.142 0.000 2.325 116 W HA -0.177 4.483 4.660 -0.000 0.000 0.299 116 W C 2.476 178.868 176.519 -0.212 0.000 1.215 116 W CA 1.454 58.580 57.345 -0.365 0.000 1.244 116 W CB -0.225 28.587 29.460 -1.081 0.000 1.140 116 W HN 0.174 nan 8.180 nan 0.000 0.523 117 Q N 0.529 120.460 119.800 0.218 0.000 2.119 117 Q HA -0.243 4.099 4.340 0.004 0.000 0.201 117 Q C 2.331 178.317 176.000 -0.024 0.000 0.972 117 Q CA 1.623 57.518 55.803 0.153 0.000 0.847 117 Q CB -0.339 28.487 28.738 0.148 0.000 0.903 117 Q HN 0.318 nan 8.270 nan 0.000 0.433 118 K N 0.152 120.538 120.400 -0.024 0.000 2.097 118 K HA -0.144 4.178 4.320 0.004 0.000 0.206 118 K C 0.863 177.387 176.600 -0.127 0.000 1.049 118 K CA 1.491 57.765 56.287 -0.021 0.000 0.933 118 K CB 0.184 32.700 32.500 0.027 0.000 0.717 118 K HN 0.169 nan 8.250 nan 0.000 0.442 119 D N -0.875 119.395 120.400 -0.216 0.000 2.340 119 D HA 0.027 4.669 4.640 0.004 0.000 0.220 119 D C 0.470 176.547 176.300 -0.373 0.000 1.039 119 D CA 0.365 54.250 54.000 -0.192 0.000 0.866 119 D CB 0.944 41.642 40.800 -0.171 0.000 0.913 119 D HN 0.262 nan 8.370 nan 0.000 0.523 120 A N -0.417 122.029 122.820 -0.623 0.000 2.585 120 A HA 0.232 4.554 4.320 0.004 0.000 0.266 120 A C -0.532 176.608 177.584 -0.740 0.000 1.178 120 A CA -0.256 51.379 52.037 -0.671 0.000 0.966 120 A CB 0.399 18.769 19.000 -1.050 0.000 1.170 120 A HN 0.066 nan 8.150 nan 0.000 0.558 121 Y N 0.650 120.563 120.300 -0.646 0.000 2.307 121 Y HA 0.416 4.969 4.550 0.006 0.000 0.323 121 Y C -0.746 174.923 175.900 -0.385 0.000 1.100 121 Y CA -0.753 57.132 58.100 -0.358 0.000 1.140 121 Y CB 1.221 39.632 38.460 -0.081 0.000 1.159 121 Y HN 0.327 nan 8.280 nan 0.000 0.436 122 H N 3.196 122.432 119.070 0.277 0.000 2.860 122 H HA 0.296 4.853 4.556 0.003 0.000 0.312 122 H C -0.416 175.028 175.328 0.193 0.000 0.995 122 H CA -0.997 55.165 56.048 0.191 0.000 1.311 122 H CB 1.534 31.330 29.762 0.057 0.000 1.478 122 H HN 0.527 nan 8.280 nan 0.000 0.508 123 K N 2.461 122.983 120.400 0.203 0.000 2.440 123 K HA -0.007 4.315 4.320 0.004 0.000 0.270 123 K C 0.485 177.076 176.600 -0.014 0.000 0.980 123 K CA 0.372 56.617 56.287 -0.071 0.000 0.953 123 K CB 0.715 33.096 32.500 -0.197 0.000 0.925 123 K HN 0.703 nan 8.250 nan 0.000 0.497 124 Q N 0.981 120.738 119.800 -0.072 0.000 2.397 124 Q HA 0.306 4.648 4.340 0.004 0.000 0.275 124 Q C 0.677 176.645 176.000 -0.053 0.000 1.090 124 Q CA -0.754 55.028 55.803 -0.036 0.000 0.809 124 Q CB 1.131 29.860 28.738 -0.016 0.000 1.362 124 Q HN 0.473 nan 8.270 nan 0.000 0.431 125 I N 0.561 121.110 120.570 -0.036 0.000 2.315 125 I HA -0.321 3.851 4.170 0.004 0.000 0.251 125 I C 2.093 178.189 176.117 -0.036 0.000 1.125 125 I CA 1.692 62.971 61.300 -0.034 0.000 1.392 125 I CB -0.181 37.805 38.000 -0.024 0.000 1.065 125 I HN 0.830 nan 8.210 nan 0.000 0.424 126 M N -0.070 119.511 119.600 -0.032 0.000 2.296 126 M HA 0.032 4.514 4.480 0.004 0.000 0.265 126 M C 0.743 177.022 176.300 -0.035 0.000 1.064 126 M CA 1.063 56.347 55.300 -0.025 0.000 1.109 126 M CB 0.217 32.808 32.600 -0.015 0.000 1.396 126 M HN 0.360 nan 8.290 nan 0.000 0.430 127 G N -1.392 107.372 108.800 -0.061 0.000 2.348 127 G HA2 0.343 4.305 3.960 0.004 0.000 0.606 127 G HA3 0.343 4.305 3.960 0.004 0.000 0.606 127 G C -0.133 174.686 174.900 -0.136 0.000 1.466 127 G CA -0.770 44.276 45.100 -0.089 0.000 0.950 127 G HN 0.759 nan 8.290 nan 0.000 0.657 128 G N -0.220 108.434 108.800 -0.243 0.000 2.574 128 G HA2 0.128 4.090 3.960 0.004 0.000 0.295 128 G HA3 0.128 4.090 3.960 0.004 0.000 0.295 128 G C 0.150 174.753 174.900 -0.496 0.000 1.300 128 G CA 0.773 45.625 45.100 -0.413 0.000 0.944 128 G HN 1.591 nan 8.290 nan 0.000 0.551 129 F N 0.314 120.276 119.950 0.020 0.000 2.440 129 F HA 0.603 5.132 4.527 0.005 0.000 0.328 129 F C 1.549 177.362 175.800 0.022 0.000 1.070 129 F CA -0.154 57.866 58.000 0.033 0.000 1.011 129 F CB 1.861 40.911 39.000 0.084 0.000 1.226 129 F HN 0.595 nan 8.300 nan 0.000 0.491 130 K N 0.778 121.306 120.400 0.213 0.000 2.148 130 K HA -0.115 4.208 4.320 0.004 0.000 0.204 130 K C 1.423 178.041 176.600 0.030 0.000 1.050 130 K CA 1.496 57.838 56.287 0.092 0.000 0.942 130 K CB 0.141 32.692 32.500 0.085 0.000 0.724 130 K HN 0.692 nan 8.250 nan 0.000 0.446 131 E N 0.245 120.449 120.200 0.006 0.000 2.112 131 E HA -0.122 4.231 4.350 0.004 0.000 0.190 131 E C 2.015 178.575 176.600 -0.066 0.000 0.979 131 E CA 1.618 57.906 56.400 -0.187 0.000 0.814 131 E CB -0.742 28.659 29.700 -0.499 0.000 0.762 131 E HN 0.468 nan 8.360 nan 0.000 0.460 132 T N -0.324 114.290 114.554 0.099 0.000 2.812 132 T HA -0.032 4.321 4.350 0.004 0.000 0.264 132 T C 1.912 176.684 174.700 0.120 0.000 1.042 132 T CA 1.004 63.197 62.100 0.155 0.000 1.140 132 T CB -0.030 68.992 68.868 0.257 0.000 0.870 132 T HN -0.102 nan 8.240 nan 0.000 0.445 133 K N 1.275 121.735 120.400 0.099 0.000 2.057 133 K HA 0.059 4.381 4.320 0.004 0.000 0.206 133 K C 2.292 178.910 176.600 0.030 0.000 1.050 133 K CA 1.420 57.749 56.287 0.070 0.000 0.935 133 K CB -0.609 31.922 32.500 0.051 0.000 0.715 133 K HN 0.582 nan 8.250 nan 0.000 0.439 134 E N -0.021 120.175 120.200 -0.007 0.000 2.187 134 E HA -0.226 4.126 4.350 0.004 0.000 0.199 134 E C 1.506 178.067 176.600 -0.064 0.000 1.004 134 E CA 1.653 58.021 56.400 -0.053 0.000 0.813 134 E CB -0.113 29.526 29.700 -0.101 0.000 0.736 134 E HN 0.322 nan 8.360 nan 0.000 0.468 135 A N 0.041 122.849 122.820 -0.021 0.000 1.943 135 A HA -0.013 4.309 4.320 0.004 0.000 0.213 135 A C 2.092 179.721 177.584 0.074 0.000 1.181 135 A CA 1.040 53.072 52.037 -0.007 0.000 0.653 135 A CB -0.399 18.665 19.000 0.107 0.000 0.833 135 A HN 0.354 nan 8.150 nan 0.000 0.451 136 E N 0.044 120.323 120.200 0.132 0.000 2.150 136 E HA -0.196 4.157 4.350 0.004 0.000 0.193 136 E C 1.016 177.631 176.600 0.024 0.000 0.985 136 E CA 1.244 57.739 56.400 0.160 0.000 0.814 136 E CB -0.026 29.793 29.700 0.198 0.000 0.752 136 E HN 0.514 nan 8.360 nan 0.000 0.466 137 D N -0.366 120.034 120.400 0.000 0.000 2.123 137 D HA -0.084 4.558 4.640 0.004 0.000 0.200 137 D C 1.854 178.101 176.300 -0.088 0.000 0.976 137 D CA 1.175 55.157 54.000 -0.030 0.000 0.831 137 D CB -0.475 40.311 40.800 -0.023 0.000 0.974 137 D HN 0.341 nan 8.370 nan 0.000 0.469 138 G N 0.458 109.168 108.800 -0.150 0.000 2.491 138 G HA2 -0.278 3.685 3.960 0.004 0.000 0.218 138 G HA3 -0.278 3.685 3.960 0.004 0.000 0.218 138 G C 1.464 176.173 174.900 -0.319 0.000 1.180 138 G CA 0.508 45.451 45.100 -0.261 0.000 0.774 138 G HN 0.167 nan 8.290 nan 0.000 0.562 139 F N 0.925 120.709 119.950 -0.277 0.000 2.113 139 F HA 0.101 4.632 4.527 0.005 0.000 0.297 139 F C 2.967 178.511 175.800 -0.427 0.000 1.103 139 F CA 1.306 59.017 58.000 -0.482 0.000 1.248 139 F CB -0.395 37.970 39.000 -1.059 0.000 0.999 139 F HN -0.025 nan 8.300 nan 0.000 0.475 140 R N -0.018 120.350 120.500 -0.220 0.000 2.127 140 R HA -0.151 4.191 4.340 0.004 0.000 0.238 140 R C 2.163 178.483 176.300 0.033 0.000 1.134 140 R CA 0.939 57.017 56.100 -0.037 0.000 0.975 140 R CB -0.313 30.008 30.300 0.035 0.000 0.865 140 R HN 0.071 nan 8.270 nan 0.000 0.447 141 K N 0.940 121.340 120.400 -0.001 0.000 2.025 141 K HA -0.011 4.311 4.320 0.004 0.000 0.207 141 K C 1.946 178.586 176.600 0.068 0.000 1.049 141 K CA 1.568 57.868 56.287 0.023 0.000 0.933 141 K CB -0.249 32.243 32.500 -0.014 0.000 0.714 141 K HN 0.169 nan 8.250 nan 0.000 0.438 142 A N 0.481 123.340 122.820 0.065 0.000 2.121 142 A HA -0.118 4.204 4.320 0.004 0.000 0.218 142 A C 1.938 179.721 177.584 0.332 0.000 1.154 142 A CA 1.240 53.367 52.037 0.149 0.000 0.679 142 A CB -0.157 18.891 19.000 0.080 0.000 0.795 142 A HN 0.427 nan 8.150 nan 0.000 0.458 143 Q N -1.282 118.700 119.800 0.304 0.000 2.350 143 Q HA 0.028 4.370 4.340 0.004 0.000 0.225 143 Q C 1.765 177.910 176.000 0.242 0.000 0.878 143 Q CA 0.473 56.519 55.803 0.404 0.000 0.935 143 Q CB 0.187 29.175 28.738 0.416 0.000 1.099 143 Q HN 0.475 nan 8.270 nan 0.000 0.527 144 K N 1.478 121.982 120.400 0.173 0.000 2.049 144 K HA -0.187 4.135 4.320 0.004 0.000 0.219 144 K C -1.126 175.536 176.600 0.103 0.000 1.056 144 K CA 2.395 58.754 56.287 0.120 0.000 0.946 144 K CB -0.931 31.622 32.500 0.089 0.000 0.723 144 K HN 0.212 nan 8.250 nan 0.000 0.453 145 P HA -0.164 nan 4.420 nan 0.000 0.215 145 P C 1.106 178.442 177.300 0.059 0.000 1.157 145 P CA 1.175 64.328 63.100 0.089 0.000 0.863 145 P CB -0.357 31.420 31.700 0.129 0.000 0.787 146 W N 1.053 122.240 121.300 -0.189 0.000 2.358 146 W HA -0.144 4.520 4.660 0.006 0.000 0.303 146 W C 2.044 178.426 176.519 -0.228 0.000 1.208 146 W CA 1.812 58.926 57.345 -0.385 0.000 1.274 146 W CB -0.624 28.158 29.460 -1.130 0.000 1.138 146 W HN -0.088 nan 8.180 nan 0.000 0.515 147 A N 0.944 123.801 122.820 0.063 0.000 1.933 147 A HA -0.280 4.043 4.320 0.004 0.000 0.218 147 A C 1.869 179.424 177.584 -0.048 0.000 1.175 147 A CA 2.437 54.497 52.037 0.038 0.000 0.628 147 A CB -0.848 18.217 19.000 0.109 0.000 0.814 147 A HN 0.310 nan 8.150 nan 0.000 0.444 148 K N -0.114 120.260 120.400 -0.044 0.000 2.057 148 K HA -0.116 4.206 4.320 0.004 0.000 0.206 148 K C 1.922 178.451 176.600 -0.117 0.000 1.050 148 K CA 1.936 58.189 56.287 -0.056 0.000 0.935 148 K CB -0.202 32.282 32.500 -0.027 0.000 0.715 148 K HN 0.193 nan 8.250 nan 0.000 0.439 149 K N -0.272 120.012 120.400 -0.192 0.000 2.097 149 K HA 0.019 4.341 4.320 0.004 0.000 0.205 149 K C 1.921 178.332 176.600 -0.315 0.000 1.050 149 K CA 1.390 57.521 56.287 -0.259 0.000 0.938 149 K CB -0.175 32.118 32.500 -0.345 0.000 0.718 149 K HN 0.121 nan 8.250 nan 0.000 0.442 150 M N 0.882 120.232 119.600 -0.417 0.000 2.213 150 M HA -0.080 4.402 4.480 0.004 0.000 0.263 150 M C 1.586 177.788 176.300 -0.163 0.000 1.062 150 M CA 1.534 56.632 55.300 -0.337 0.000 1.105 150 M CB -0.213 32.181 32.600 -0.343 0.000 1.385 150 M HN 0.001 nan 8.290 nan 0.000 0.417 151 K N -0.312 120.015 120.400 -0.121 0.000 2.148 151 K HA -0.132 4.190 4.320 0.004 0.000 0.204 151 K C 1.754 178.317 176.600 -0.061 0.000 1.050 151 K CA 1.131 57.377 56.287 -0.068 0.000 0.942 151 K CB 0.015 32.488 32.500 -0.045 0.000 0.724 151 K HN 0.517 nan 8.250 nan 0.000 0.446 152 E N 0.663 120.817 120.200 -0.076 0.000 2.072 152 E HA -0.175 4.177 4.350 0.004 0.000 0.190 152 E C 2.064 178.638 176.600 -0.043 0.000 0.982 152 E CA 0.542 56.908 56.400 -0.056 0.000 0.803 152 E CB -0.119 29.543 29.700 -0.063 0.000 0.755 152 E HN 0.086 nan 8.360 nan 0.000 0.453 153 L N 1.830 123.017 121.223 -0.061 0.000 1.989 153 L HA -0.215 4.128 4.340 0.004 0.000 0.211 153 L C 2.272 179.141 176.870 -0.002 0.000 1.071 153 L CA 1.884 56.719 54.840 -0.008 0.000 0.749 153 L CB -0.207 41.820 42.059 -0.053 0.000 0.890 153 L HN -0.039 nan 8.230 nan 0.000 0.431 154 E N -0.737 119.443 120.200 -0.033 0.000 2.409 154 E HA -0.086 4.267 4.350 0.004 0.000 0.198 154 E C 1.755 178.323 176.600 -0.052 0.000 1.024 154 E CA 0.956 57.334 56.400 -0.037 0.000 0.861 154 E CB -0.061 29.624 29.700 -0.024 0.000 0.788 154 E HN 0.592 nan 8.360 nan 0.000 0.521 155 A N -0.355 122.437 122.820 -0.048 0.000 2.063 155 A HA 0.385 4.707 4.320 0.004 0.000 0.211 155 A C 2.213 179.761 177.584 -0.059 0.000 1.177 155 A CA 0.797 52.806 52.037 -0.046 0.000 0.759 155 A CB -0.266 18.716 19.000 -0.031 0.000 0.857 155 A HN 0.301 nan 8.150 nan 0.000 0.468 156 A N 0.621 123.406 122.820 -0.058 0.000 1.855 156 A HA -0.096 4.227 4.320 0.004 0.000 0.215 156 A C 2.073 179.520 177.584 -0.228 0.000 1.191 156 A CA 1.650 53.653 52.037 -0.057 0.000 0.613 156 A CB -0.478 18.569 19.000 0.079 0.000 0.829 156 A HN 0.422 nan 8.150 nan 0.000 0.442 157 K N -0.141 119.959 120.400 -0.500 0.000 1.988 157 K HA -0.233 4.090 4.320 0.004 0.000 0.221 157 K C 2.077 178.469 176.600 -0.346 0.000 1.053 157 K CA 1.937 57.783 56.287 -0.735 0.000 0.959 157 K CB -0.361 31.757 32.500 -0.636 0.000 0.728 157 K HN 0.342 nan 8.250 nan 0.000 0.447 158 K N -0.011 120.288 120.400 -0.169 0.000 2.163 158 K HA -0.235 4.087 4.320 0.004 0.000 0.210 158 K C 2.095 178.662 176.600 -0.055 0.000 1.048 158 K CA 1.621 57.868 56.287 -0.067 0.000 0.928 158 K CB -0.179 32.297 32.500 -0.040 0.000 0.716 158 K HN 0.263 nan 8.250 nan 0.000 0.459 159 A N 0.208 122.990 122.820 -0.063 0.000 1.874 159 A HA -0.155 4.167 4.320 0.004 0.000 0.214 159 A C 1.998 179.588 177.584 0.009 0.000 1.189 159 A CA 0.993 53.018 52.037 -0.020 0.000 0.615 159 A CB -0.646 18.351 19.000 -0.005 0.000 0.830 159 A HN 0.401 nan 8.150 nan 0.000 0.443 160 Y N 0.659 120.853 120.300 -0.177 0.000 2.114 160 Y HA -0.227 4.325 4.550 0.004 0.000 0.284 160 Y C 2.388 178.232 175.900 -0.094 0.000 1.143 160 Y CA 2.101 60.102 58.100 -0.167 0.000 1.135 160 Y CB -0.740 37.541 38.460 -0.298 0.000 0.980 160 Y HN 0.477 nan 8.280 nan 0.000 0.499 161 H N -0.012 118.837 119.070 -0.368 0.000 2.489 161 H HA -0.135 4.423 4.556 0.004 0.000 0.293 161 H C 2.466 177.650 175.328 -0.239 0.000 1.066 161 H CA 1.416 57.227 56.048 -0.394 0.000 1.305 161 H CB -0.448 29.163 29.762 -0.251 0.000 1.386 161 H HN 0.408 nan 8.280 nan 0.000 0.551 162 L N -0.202 120.997 121.223 -0.041 0.000 2.131 162 L HA -0.025 4.318 4.340 0.004 0.000 0.206 162 L C 2.399 179.246 176.870 -0.039 0.000 1.087 162 L CA 0.990 55.810 54.840 -0.033 0.000 0.767 162 L CB -0.400 41.648 42.059 -0.018 0.000 0.917 162 L HN 0.212 nan 8.230 nan 0.000 0.441 163 A N -0.416 122.383 122.820 -0.035 0.000 1.883 163 A HA -0.270 4.052 4.320 0.004 0.000 0.217 163 A C 2.339 179.897 177.584 -0.043 0.000 1.186 163 A CA 1.981 54.013 52.037 -0.009 0.000 0.624 163 A CB -1.328 17.709 19.000 0.062 0.000 0.822 163 A HN 0.619 nan 8.150 nan 0.000 0.444 164 C N -0.880 118.343 119.300 -0.128 0.000 2.425 164 C HA -0.057 4.405 4.460 0.004 0.000 0.277 164 C C 2.696 177.639 174.990 -0.079 0.000 1.280 164 C CA 1.274 60.216 59.018 -0.126 0.000 1.744 164 C CB -0.972 26.622 27.740 -0.244 0.000 1.989 164 C HN 0.660 nan 8.230 nan 0.000 0.491 165 K N 0.764 121.117 120.400 -0.078 0.000 2.001 165 K HA -0.157 4.166 4.320 0.004 0.000 0.208 165 K C 1.981 178.559 176.600 -0.037 0.000 1.048 165 K CA 1.520 57.772 56.287 -0.058 0.000 0.932 165 K CB -0.206 32.260 32.500 -0.057 0.000 0.715 165 K HN 0.279 nan 8.250 nan 0.000 0.437 166 E N 0.928 121.110 120.200 -0.029 0.000 2.204 166 E HA -0.195 4.157 4.350 0.004 0.000 0.195 166 E C 1.671 178.264 176.600 -0.012 0.000 0.990 166 E CA 1.258 57.648 56.400 -0.018 0.000 0.821 166 E CB 0.090 29.783 29.700 -0.012 0.000 0.750 166 E HN 0.390 nan 8.360 nan 0.000 0.477 167 E N 0.193 120.386 120.200 -0.012 0.000 2.028 167 E HA -0.232 4.121 4.350 0.004 0.000 0.191 167 E C 1.877 178.472 176.600 -0.008 0.000 0.988 167 E CA 1.014 57.411 56.400 -0.005 0.000 0.799 167 E CB -0.021 29.680 29.700 0.002 0.000 0.755 167 E HN -0.052 nan 8.360 nan 0.000 0.447 168 K N 0.762 121.153 120.400 -0.015 0.000 2.044 168 K HA -0.163 4.159 4.320 0.004 0.000 0.210 168 K C 2.204 178.796 176.600 -0.014 0.000 1.049 168 K CA 0.955 57.233 56.287 -0.016 0.000 0.927 168 K CB -0.534 31.951 32.500 -0.024 0.000 0.713 168 K HN 0.304 nan 8.250 nan 0.000 0.443 169 L N 0.672 121.886 121.223 -0.016 0.000 2.083 169 L HA -0.138 4.204 4.340 0.004 0.000 0.209 169 L C 2.220 179.084 176.870 -0.009 0.000 1.083 169 L CA 1.780 56.612 54.840 -0.013 0.000 0.752 169 L CB -1.001 41.049 42.059 -0.014 0.000 0.899 169 L HN 0.083 nan 8.230 nan 0.000 0.433 170 A N 0.080 122.896 122.820 -0.007 0.000 1.845 170 A HA -0.250 4.072 4.320 0.004 0.000 0.215 170 A C 2.239 179.821 177.584 -0.002 0.000 1.195 170 A CA 1.909 53.944 52.037 -0.004 0.000 0.616 170 A CB -0.440 18.559 19.000 -0.001 0.000 0.832 170 A HN 0.440 nan 8.150 nan 0.000 0.443 171 M N -0.202 119.397 119.600 -0.002 0.000 2.180 171 M HA -0.201 4.282 4.480 0.004 0.000 0.260 171 M C 2.577 178.876 176.300 -0.002 0.000 1.071 171 M CA 2.577 57.876 55.300 -0.001 0.000 1.096 171 M CB -1.451 31.150 32.600 0.000 0.000 1.276 171 M HN 0.714 nan 8.290 nan 0.000 0.426 172 T N -0.743 113.809 114.554 -0.004 0.000 2.721 172 T HA -0.219 4.133 4.350 0.004 0.000 0.268 172 T C 1.845 176.543 174.700 -0.004 0.000 1.038 172 T CA 1.727 63.825 62.100 -0.004 0.000 1.145 172 T CB -0.465 68.399 68.868 -0.006 0.000 0.858 172 T HN 0.388 nan 8.240 nan 0.000 0.459 173 R N 0.671 121.169 120.500 -0.004 0.000 2.075 173 R HA -0.024 4.318 4.340 0.004 0.000 0.232 173 R C 2.801 179.100 176.300 -0.002 0.000 1.126 173 R CA 1.596 57.694 56.100 -0.004 0.000 0.963 173 R CB -0.319 29.979 30.300 -0.004 0.000 0.858 173 R HN 0.682 nan 8.270 nan 0.000 0.435 174 E N 0.596 120.795 120.200 -0.002 0.000 2.031 174 E HA -0.248 4.104 4.350 0.004 0.000 0.193 174 E C 1.899 178.498 176.600 -0.000 0.000 0.994 174 E CA 1.362 57.761 56.400 -0.001 0.000 0.800 174 E CB -0.005 29.695 29.700 0.000 0.000 0.752 174 E HN 0.093 nan 8.360 nan 0.000 0.447 175 M N 1.380 120.980 119.600 -0.001 0.000 2.159 175 M HA -0.116 4.367 4.480 0.004 0.000 0.263 175 M C 1.657 177.956 176.300 -0.001 0.000 1.063 175 M CA 1.163 56.462 55.300 -0.000 0.000 1.110 175 M CB -0.265 32.335 32.600 -0.000 0.000 1.374 175 M HN 0.017 nan 8.290 nan 0.000 0.411 176 N N -0.566 118.133 118.700 -0.002 0.000 2.430 176 N HA -0.103 4.640 4.740 0.004 0.000 0.186 176 N C 1.481 176.990 175.510 -0.002 0.000 1.032 176 N CA 1.241 54.290 53.050 -0.002 0.000 0.893 176 N CB -0.171 38.315 38.487 -0.003 0.000 0.957 176 N HN 0.349 nan 8.380 nan 0.000 0.442 177 S N 0.223 115.923 115.700 -0.001 0.000 2.371 177 S HA 0.030 4.502 4.470 0.004 0.000 0.221 177 S C 1.689 176.289 174.600 -0.001 0.000 1.036 177 S CA 0.552 58.751 58.200 -0.001 0.000 0.965 177 S CB 0.070 63.269 63.200 -0.001 0.000 0.845 177 S HN 0.168 nan 8.310 nan 0.000 0.475 178 K N 0.966 121.366 120.400 -0.000 0.000 2.163 178 K HA -0.164 4.159 4.320 0.004 0.000 0.210 178 K C 2.357 178.957 176.600 -0.000 0.000 1.048 178 K CA 1.912 58.199 56.287 -0.000 0.000 0.928 178 K CB -0.675 31.825 32.500 0.000 0.000 0.716 178 K HN 0.475 nan 8.250 nan 0.000 0.459 179 T N -0.634 113.920 114.554 -0.001 0.000 2.896 179 T HA -0.051 4.301 4.350 0.004 0.000 0.263 179 T C 0.202 174.902 174.700 -0.001 0.000 1.050 179 T CA 0.513 62.612 62.100 -0.001 0.000 1.140 179 T CB -0.015 68.853 68.868 -0.001 0.000 0.877 179 T HN 0.169 nan 8.240 nan 0.000 0.457 180 E N 2.956 123.156 120.200 -0.001 0.000 2.001 180 E HA 0.180 4.532 4.350 0.004 0.000 0.279 180 E C -0.130 176.469 176.600 -0.001 0.000 1.045 180 E CA -0.366 56.033 56.400 -0.001 0.000 0.833 180 E CB 0.724 30.424 29.700 -0.001 0.000 1.077 180 E HN 0.544 nan 8.360 nan 0.000 0.397 181 Q N 2.504 122.303 119.800 -0.001 0.000 2.293 181 Q HA 0.227 4.569 4.340 0.004 0.000 0.251 181 Q C -0.878 175.121 176.000 -0.001 0.000 0.930 181 Q CA -0.477 55.326 55.803 -0.000 0.000 0.893 181 Q CB 1.077 29.815 28.738 -0.000 0.000 1.215 181 Q HN 0.428 nan 8.270 nan 0.000 0.425 182 S N 2.256 117.956 115.700 -0.001 0.000 2.519 182 S HA 0.560 5.032 4.470 0.004 0.000 0.309 182 S C -0.618 173.982 174.600 -0.000 0.000 1.100 182 S CA -0.843 57.357 58.200 -0.000 0.000 1.059 182 S CB 1.762 64.962 63.200 -0.000 0.000 1.008 182 S HN 0.457 nan 8.310 nan 0.000 0.478 183 V N 3.362 123.275 119.914 -0.000 0.000 2.547 183 V HA 0.571 4.693 4.120 0.004 0.000 0.299 183 V C 1.058 177.152 176.094 -0.000 0.000 1.040 183 V CA -0.466 61.834 62.300 -0.000 0.000 0.913 183 V CB 1.939 33.761 31.823 -0.000 0.000 0.992 183 V HN 1.159 nan 8.190 nan 0.000 0.449 184 T N 3.763 118.317 114.554 -0.000 0.000 2.791 184 T HA 0.123 4.475 4.350 0.004 0.000 0.323 184 T C -1.288 173.412 174.700 0.000 0.000 1.082 184 T CA -0.612 61.487 62.100 -0.000 0.000 1.084 184 T CB 0.784 69.652 68.868 -0.000 0.000 0.992 184 T HN 0.582 nan 8.240 nan 0.000 0.547 185 P HA 0.023 nan 4.420 nan 0.000 0.222 185 P C 0.966 178.266 177.300 0.000 0.000 1.153 185 P CA 0.969 64.069 63.100 0.000 0.000 0.798 185 P CB 0.163 31.864 31.700 0.000 0.000 0.796 186 E N -0.088 120.112 120.200 0.000 0.000 2.190 186 E HA -0.076 4.276 4.350 0.004 0.000 0.191 186 E C 2.287 178.887 176.600 0.000 0.000 0.978 186 E CA 0.221 56.622 56.400 0.000 0.000 0.839 186 E CB -0.287 29.414 29.700 0.000 0.000 0.787 186 E HN 0.259 nan 8.360 nan 0.000 0.473 187 Q N 0.869 120.669 119.800 0.000 0.000 2.124 187 Q HA -0.255 4.087 4.340 0.004 0.000 0.202 187 Q C 2.424 178.424 176.000 -0.000 0.000 0.977 187 Q CA 2.151 57.954 55.803 -0.000 0.000 0.850 187 Q CB -0.009 28.729 28.738 -0.000 0.000 0.901 187 Q HN 0.335 nan 8.270 nan 0.000 0.429 188 Q N 0.558 120.358 119.800 0.000 0.000 2.187 188 Q HA -0.062 4.281 4.340 0.004 0.000 0.199 188 Q C 1.821 177.821 176.000 0.001 0.000 0.957 188 Q CA 1.098 56.901 55.803 0.000 0.000 0.857 188 Q CB -0.297 28.441 28.738 0.000 0.000 0.929 188 Q HN 0.125 nan 8.270 nan 0.000 0.453 189 K N 0.541 120.941 120.400 0.001 0.000 2.057 189 K HA -0.148 4.175 4.320 0.004 0.000 0.207 189 K C 2.191 178.792 176.600 0.001 0.000 1.049 189 K CA 1.716 58.003 56.287 0.001 0.000 0.931 189 K CB -0.121 32.379 32.500 0.001 0.000 0.714 189 K HN 0.461 nan 8.250 nan 0.000 0.440 190 K N 1.150 121.551 120.400 0.001 0.000 2.059 190 K HA -0.174 4.148 4.320 0.004 0.000 0.212 190 K C 1.928 178.529 176.600 0.001 0.000 1.050 190 K CA 1.400 57.688 56.287 0.001 0.000 0.927 190 K CB -0.358 32.142 32.500 0.000 0.000 0.714 190 K HN -0.044 nan 8.250 nan 0.000 0.447 191 L N 1.140 122.364 121.223 0.001 0.000 2.109 191 L HA -0.023 4.319 4.340 0.004 0.000 0.207 191 L C 2.359 179.229 176.870 0.001 0.000 1.086 191 L CA 1.611 56.451 54.840 0.001 0.000 0.760 191 L CB -0.741 41.318 42.059 0.000 0.000 0.910 191 L HN 0.287 nan 8.230 nan 0.000 0.437 192 Q N -0.591 119.210 119.800 0.002 0.000 2.364 192 Q HA -0.184 4.158 4.340 0.004 0.000 0.209 192 Q C 1.288 177.289 176.000 0.003 0.000 0.977 192 Q CA 1.098 56.903 55.803 0.002 0.000 0.885 192 Q CB -0.047 28.692 28.738 0.002 0.000 0.941 192 Q HN 0.542 nan 8.270 nan 0.000 0.464 193 D N 0.286 120.688 120.400 0.003 0.000 2.144 193 D HA -0.076 4.567 4.640 0.004 0.000 0.207 193 D C 1.728 178.030 176.300 0.004 0.000 0.970 193 D CA 0.653 54.655 54.000 0.003 0.000 0.853 193 D CB 0.082 40.884 40.800 0.003 0.000 1.007 193 D HN -0.030 nan 8.370 nan 0.000 0.469 194 K N 1.100 121.502 120.400 0.003 0.000 2.034 194 K HA -0.119 4.204 4.320 0.004 0.000 0.214 194 K C 2.314 178.916 176.600 0.004 0.000 1.051 194 K CA 0.512 56.800 56.287 0.003 0.000 0.931 194 K CB -1.148 31.353 32.500 0.001 0.000 0.715 194 K HN 0.089 nan 8.250 nan 0.000 0.446 195 V N 2.085 122.002 119.914 0.004 0.000 2.231 195 V HA -0.299 3.823 4.120 0.004 0.000 0.248 195 V C 2.304 178.403 176.094 0.008 0.000 1.054 195 V CA 2.358 64.661 62.300 0.006 0.000 1.015 195 V CB -0.615 31.211 31.823 0.005 0.000 0.638 195 V HN 0.352 nan 8.190 nan 0.000 0.444 196 D N 0.054 120.459 120.400 0.008 0.000 2.149 196 D HA -0.266 4.376 4.640 0.004 0.000 0.194 196 D C 2.179 178.486 176.300 0.011 0.000 1.001 196 D CA 2.087 56.092 54.000 0.009 0.000 0.849 196 D CB -0.196 40.608 40.800 0.007 0.000 0.939 196 D HN 0.494 nan 8.370 nan 0.000 0.449 197 K N -0.556 119.850 120.400 0.009 0.000 2.026 197 K HA -0.102 4.221 4.320 0.004 0.000 0.208 197 K C 2.251 178.859 176.600 0.014 0.000 1.048 197 K CA 1.687 57.980 56.287 0.010 0.000 0.929 197 K CB -0.344 32.161 32.500 0.008 0.000 0.713 197 K HN 0.225 nan 8.250 nan 0.000 0.439 198 C N 1.163 120.471 119.300 0.013 0.000 2.450 198 C HA 0.042 4.504 4.460 0.004 0.000 0.279 198 C C 2.206 177.211 174.990 0.025 0.000 1.335 198 C CA 0.511 59.539 59.018 0.017 0.000 1.749 198 C CB -0.575 27.171 27.740 0.010 0.000 1.963 198 C HN 0.494 nan 8.230 nan 0.000 0.501 199 K N 0.616 121.031 120.400 0.024 0.000 2.362 199 K HA -0.188 4.134 4.320 0.004 0.000 0.200 199 K C 2.173 178.794 176.600 0.034 0.000 1.046 199 K CA 0.869 57.174 56.287 0.031 0.000 0.952 199 K CB -0.162 32.352 32.500 0.024 0.000 0.753 199 K HN 0.608 nan 8.250 nan 0.000 0.466 200 Q N 1.035 120.851 119.800 0.028 0.000 2.033 200 Q HA -0.156 4.187 4.340 0.004 0.000 0.196 200 Q C 1.038 177.059 176.000 0.034 0.000 0.970 200 Q CA 1.637 57.456 55.803 0.026 0.000 0.828 200 Q CB 0.199 28.948 28.738 0.018 0.000 0.895 200 Q HN 0.173 nan 8.270 nan 0.000 0.440 201 D N 0.060 120.482 120.400 0.037 0.000 2.087 201 D HA -0.178 4.465 4.640 0.004 0.000 0.192 201 D C 1.994 178.342 176.300 0.079 0.000 0.993 201 D CA 1.571 55.599 54.000 0.047 0.000 0.828 201 D CB -0.487 40.336 40.800 0.039 0.000 0.968 201 D HN 0.099 nan 8.370 nan 0.000 0.448 202 V N 0.635 120.605 119.914 0.094 0.000 2.250 202 V HA -0.343 3.779 4.120 0.004 0.000 0.253 202 V C 2.531 178.723 176.094 0.163 0.000 1.065 202 V CA 2.291 64.690 62.300 0.165 0.000 1.039 202 V CB -0.640 31.263 31.823 0.133 0.000 0.647 202 V HN 0.306 nan 8.190 nan 0.000 0.446 203 Q N -0.630 119.225 119.800 0.091 0.000 2.124 203 Q HA -0.230 4.112 4.340 0.004 0.000 0.202 203 Q C 2.307 178.322 176.000 0.026 0.000 0.977 203 Q CA 1.749 57.584 55.803 0.053 0.000 0.850 203 Q CB 0.009 28.768 28.738 0.035 0.000 0.901 203 Q HN 0.645 nan 8.270 nan 0.000 0.429 204 K N -0.715 119.704 120.400 0.032 0.000 2.021 204 K HA -0.022 4.300 4.320 0.004 0.000 0.205 204 K C 2.140 178.749 176.600 0.014 0.000 1.047 204 K CA 1.622 57.918 56.287 0.015 0.000 0.943 204 K CB -0.044 32.468 32.500 0.018 0.000 0.725 204 K HN 0.169 nan 8.250 nan 0.000 0.439 205 T N 1.610 116.194 114.554 0.050 0.000 2.759 205 T HA -0.225 4.128 4.350 0.004 0.000 0.269 205 T C 1.873 176.574 174.700 0.002 0.000 1.042 205 T CA 1.434 63.576 62.100 0.069 0.000 1.140 205 T CB -0.148 68.808 68.868 0.147 0.000 0.864 205 T HN 0.328 nan 8.240 nan 0.000 0.455 206 Q N 0.586 120.341 119.800 -0.075 0.000 2.297 206 Q HA -0.086 4.257 4.340 0.004 0.000 0.204 206 Q C 2.189 178.047 176.000 -0.237 0.000 0.962 206 Q CA 1.098 56.651 55.803 -0.417 0.000 0.879 206 Q CB 0.013 28.552 28.738 -0.332 0.000 0.947 206 Q HN 0.658 nan 8.270 nan 0.000 0.462 207 E N 0.463 120.595 120.200 -0.113 0.000 2.028 207 E HA -0.192 4.160 4.350 0.004 0.000 0.190 207 E C 1.897 178.445 176.600 -0.088 0.000 0.984 207 E CA 1.052 57.397 56.400 -0.092 0.000 0.800 207 E CB 0.055 29.724 29.700 -0.052 0.000 0.758 207 E HN 0.229 nan 8.360 nan 0.000 0.448 208 K N -0.058 120.313 120.400 -0.050 0.000 1.991 208 K HA -0.263 4.059 4.320 0.004 0.000 0.212 208 K C 2.216 178.802 176.600 -0.023 0.000 1.049 208 K CA 1.827 58.096 56.287 -0.029 0.000 0.932 208 K CB -0.586 31.913 32.500 -0.001 0.000 0.717 208 K HN 0.266 nan 8.250 nan 0.000 0.441 209 Y N 1.385 121.591 120.300 -0.156 0.000 2.228 209 Y HA -0.298 4.254 4.550 0.004 0.000 0.285 209 Y C 1.754 177.550 175.900 -0.175 0.000 1.178 209 Y CA 1.987 59.981 58.100 -0.177 0.000 1.202 209 Y CB 0.148 38.457 38.460 -0.250 0.000 0.974 209 Y HN 0.316 nan 8.280 nan 0.000 0.527 210 E N 0.040 120.039 120.200 -0.334 0.000 2.051 210 E HA -0.204 4.149 4.350 0.004 0.000 0.189 210 E C 2.053 178.512 176.600 -0.236 0.000 0.979 210 E CA 1.105 57.285 56.400 -0.366 0.000 0.803 210 E CB -0.153 29.389 29.700 -0.265 0.000 0.761 210 E HN 0.290 nan 8.360 nan 0.000 0.451 211 K N 1.566 121.874 120.400 -0.154 0.000 2.020 211 K HA -0.191 4.132 4.320 0.004 0.000 0.212 211 K C 1.959 178.494 176.600 -0.108 0.000 1.050 211 K CA 1.685 57.908 56.287 -0.107 0.000 0.929 211 K CB -0.632 31.824 32.500 -0.073 0.000 0.714 211 K HN -0.049 nan 8.250 nan 0.000 0.443 212 V N 1.287 121.137 119.914 -0.107 0.000 2.287 212 V HA -0.254 3.868 4.120 0.004 0.000 0.248 212 V C 2.462 178.472 176.094 -0.139 0.000 1.053 212 V CA 2.056 64.297 62.300 -0.099 0.000 1.027 212 V CB -0.538 31.253 31.823 -0.053 0.000 0.646 212 V HN 0.351 nan 8.190 nan 0.000 0.447 213 L N -0.229 120.866 121.223 -0.214 0.000 2.081 213 L HA -0.275 4.068 4.340 0.004 0.000 0.212 213 L C 2.656 179.437 176.870 -0.147 0.000 1.080 213 L CA 2.090 56.795 54.840 -0.226 0.000 0.754 213 L CB -0.472 41.376 42.059 -0.352 0.000 0.893 213 L HN 0.478 nan 8.230 nan 0.000 0.433 214 E N -0.003 120.118 120.200 -0.132 0.000 2.058 214 E HA -0.266 4.086 4.350 0.004 0.000 0.194 214 E C 1.665 178.227 176.600 -0.063 0.000 0.997 214 E CA 1.785 58.133 56.400 -0.088 0.000 0.801 214 E CB 0.142 29.795 29.700 -0.078 0.000 0.746 214 E HN 0.445 nan 8.360 nan 0.000 0.450 215 D N -0.230 120.128 120.400 -0.070 0.000 2.078 215 D HA -0.144 4.498 4.640 0.004 0.000 0.193 215 D C 2.107 178.378 176.300 -0.047 0.000 0.990 215 D CA 1.245 55.214 54.000 -0.052 0.000 0.827 215 D CB -0.524 40.238 40.800 -0.063 0.000 0.975 215 D HN 0.081 nan 8.370 nan 0.000 0.451 216 V N 1.080 120.935 119.914 -0.098 0.000 2.317 216 V HA -0.244 3.878 4.120 0.004 0.000 0.251 216 V C 2.453 178.557 176.094 0.016 0.000 1.065 216 V CA 2.180 64.400 62.300 -0.134 0.000 1.049 216 V CB -1.085 30.593 31.823 -0.242 0.000 0.651 216 V HN 0.302 nan 8.190 nan 0.000 0.450 217 G N -1.131 107.675 108.800 0.010 0.000 2.484 217 G HA2 -0.169 3.794 3.960 0.004 0.000 0.218 217 G HA3 -0.169 3.794 3.960 0.004 0.000 0.218 217 G C 1.658 176.595 174.900 0.062 0.000 1.130 217 G CA 0.542 45.672 45.100 0.050 0.000 0.784 217 G HN 0.498 nan 8.290 nan 0.000 0.543 218 K N -0.114 120.314 120.400 0.047 0.000 2.128 218 K HA 0.000 4.323 4.320 0.004 0.000 0.202 218 K C 2.410 179.060 176.600 0.083 0.000 1.050 218 K CA 1.203 57.518 56.287 0.046 0.000 0.966 218 K CB 0.045 32.558 32.500 0.022 0.000 0.759 218 K HN 0.315 nan 8.250 nan 0.000 0.454 219 T N -0.879 113.743 114.554 0.113 0.000 3.317 219 T HA 0.060 4.413 4.350 0.004 0.000 0.250 219 T C 1.256 176.133 174.700 0.294 0.000 1.106 219 T CA 0.349 62.549 62.100 0.167 0.000 0.986 219 T CB -0.073 68.881 68.868 0.143 0.000 1.010 219 T HN -0.086 nan 8.240 nan 0.000 0.560 220 T N 2.587 117.302 114.554 0.268 0.000 2.706 220 T HA 0.077 4.429 4.350 0.004 0.000 0.255 220 T C -0.674 174.091 174.700 0.108 0.000 1.048 220 T CA 0.895 63.160 62.100 0.276 0.000 1.153 220 T CB -1.107 67.879 68.868 0.195 0.000 0.865 220 T HN 0.321 nan 8.240 nan 0.000 0.414 221 P HA -0.189 nan 4.420 nan 0.000 0.217 221 P C 1.598 178.926 177.300 0.047 0.000 1.162 221 P CA 1.482 64.588 63.100 0.011 0.000 0.901 221 P CB -0.070 31.641 31.700 0.018 0.000 0.793 222 Q N -1.293 118.564 119.800 0.095 0.000 2.062 222 Q HA -0.267 4.075 4.340 0.004 0.000 0.209 222 Q C 2.162 178.262 176.000 0.167 0.000 0.996 222 Q CA 1.917 57.792 55.803 0.121 0.000 0.859 222 Q CB -1.514 27.306 28.738 0.138 0.000 0.920 222 Q HN 0.200 nan 8.270 nan 0.000 0.415 223 Y N -0.012 120.325 120.300 0.061 0.000 2.128 223 Y HA -0.197 4.356 4.550 0.006 0.000 0.284 223 Y C 2.083 178.005 175.900 0.036 0.000 1.154 223 Y CA 2.081 60.195 58.100 0.023 0.000 1.149 223 Y CB -0.424 37.964 38.460 -0.119 0.000 0.976 223 Y HN 0.205 nan 8.280 nan 0.000 0.505 224 M N -0.550 118.966 119.600 -0.139 0.000 2.149 224 M HA -0.224 4.258 4.480 0.004 0.000 0.261 224 M C 1.857 178.201 176.300 0.073 0.000 1.064 224 M CA 1.939 57.128 55.300 -0.186 0.000 1.102 224 M CB -0.153 32.242 32.600 -0.342 0.000 1.369 224 M HN 0.169 nan 8.290 nan 0.000 0.408 225 E N 0.021 120.247 120.200 0.044 0.000 2.086 225 E HA -0.015 4.337 4.350 0.004 0.000 0.190 225 E C 1.498 178.137 176.600 0.065 0.000 0.975 225 E CA 0.849 57.289 56.400 0.067 0.000 0.813 225 E CB -0.387 29.342 29.700 0.048 0.000 0.768 225 E HN 0.482 nan 8.360 nan 0.000 0.457 226 N N -0.316 118.418 118.700 0.058 0.000 2.104 226 N HA -0.196 4.546 4.740 0.004 0.000 0.190 226 N C 1.679 177.202 175.510 0.021 0.000 1.024 226 N CA 1.232 54.309 53.050 0.046 0.000 0.853 226 N CB -0.082 38.457 38.487 0.086 0.000 1.008 226 N HN 0.085 nan 8.380 nan 0.000 0.424 227 M N 1.323 120.930 119.600 0.012 0.000 2.132 227 M HA -0.075 4.407 4.480 0.004 0.000 0.263 227 M C 1.629 178.016 176.300 0.146 0.000 1.065 227 M CA 1.375 56.692 55.300 0.027 0.000 1.122 227 M CB -0.076 32.430 32.600 -0.156 0.000 1.365 227 M HN -0.011 nan 8.290 nan 0.000 0.411 228 E N -0.359 119.944 120.200 0.172 0.000 2.409 228 E HA -0.183 4.169 4.350 0.004 0.000 0.198 228 E C 1.900 178.599 176.600 0.164 0.000 1.024 228 E CA 0.761 57.282 56.400 0.202 0.000 0.861 228 E CB -0.043 29.769 29.700 0.187 0.000 0.788 228 E HN 0.668 nan 8.360 nan 0.000 0.521 229 Q N -0.080 119.765 119.800 0.075 0.000 2.061 229 Q HA -0.038 4.305 4.340 0.004 0.000 0.195 229 Q C 2.421 178.393 176.000 -0.047 0.000 0.967 229 Q CA 0.694 56.507 55.803 0.017 0.000 0.829 229 Q CB 0.056 28.785 28.738 -0.014 0.000 0.900 229 Q HN 0.128 nan 8.270 nan 0.000 0.450 230 V N 1.318 121.130 119.914 -0.169 0.000 2.380 230 V HA -0.274 3.849 4.120 0.004 0.000 0.251 230 V C 2.018 177.936 176.094 -0.295 0.000 1.063 230 V CA 2.004 64.057 62.300 -0.411 0.000 1.055 230 V CB -0.696 30.529 31.823 -0.998 0.000 0.657 230 V HN 0.303 nan 8.190 nan 0.000 0.455 231 F N 1.523 121.390 119.950 -0.138 0.000 2.113 231 F HA -0.166 4.364 4.527 0.004 0.000 0.297 231 F C 2.484 178.321 175.800 0.060 0.000 1.103 231 F CA 2.124 60.228 58.000 0.174 0.000 1.248 231 F CB -0.232 38.931 39.000 0.272 0.000 0.999 231 F HN 0.190 nan 8.300 nan 0.000 0.475 232 E N 0.757 120.992 120.200 0.058 0.000 2.114 232 E HA -0.313 4.039 4.350 0.004 0.000 0.199 232 E C 2.068 178.593 176.600 -0.126 0.000 1.008 232 E CA 2.207 58.576 56.400 -0.051 0.000 0.810 232 E CB -0.578 29.145 29.700 0.038 0.000 0.739 232 E HN 0.644 nan 8.360 nan 0.000 0.456 233 Q N -0.981 118.757 119.800 -0.104 0.000 2.181 233 Q HA -0.153 4.189 4.340 0.004 0.000 0.205 233 Q C 2.423 178.375 176.000 -0.080 0.000 0.980 233 Q CA 1.526 57.275 55.803 -0.091 0.000 0.862 233 Q CB -0.198 28.470 28.738 -0.116 0.000 0.905 233 Q HN 0.424 nan 8.270 nan 0.000 0.429 234 C N 0.384 119.600 119.300 -0.140 0.000 2.476 234 C HA -0.077 4.386 4.460 0.004 0.000 0.278 234 C C 2.564 177.462 174.990 -0.153 0.000 1.274 234 C CA 0.244 59.209 59.018 -0.089 0.000 1.713 234 C CB -0.624 27.080 27.740 -0.060 0.000 2.039 234 C HN 0.525 nan 8.230 nan 0.000 0.484 235 Q N 0.647 120.214 119.800 -0.387 0.000 2.112 235 Q HA -0.225 4.118 4.340 0.004 0.000 0.206 235 Q C 2.261 178.199 176.000 -0.102 0.000 0.987 235 Q CA 1.544 57.177 55.803 -0.283 0.000 0.858 235 Q CB -0.552 27.996 28.738 -0.316 0.000 0.905 235 Q HN 0.713 nan 8.270 nan 0.000 0.420 236 Q N -0.511 119.253 119.800 -0.059 0.000 2.084 236 Q HA -0.123 4.219 4.340 0.004 0.000 0.202 236 Q C 1.936 177.990 176.000 0.091 0.000 0.978 236 Q CA 1.086 56.896 55.803 0.012 0.000 0.844 236 Q CB -0.414 28.331 28.738 0.012 0.000 0.898 236 Q HN 0.419 nan 8.270 nan 0.000 0.426 237 F N 1.540 121.452 119.950 -0.063 0.000 2.074 237 F HA -0.226 4.301 4.527 0.000 0.000 0.293 237 F C 2.513 178.322 175.800 0.014 0.000 1.116 237 F CA 1.359 59.336 58.000 -0.039 0.000 1.212 237 F CB 0.120 39.076 39.000 -0.073 0.000 0.998 237 F HN 0.038 nan 8.300 nan 0.000 0.471 238 E N 1.216 121.351 120.200 -0.108 0.000 2.055 238 E HA -0.354 3.998 4.350 0.004 0.000 0.209 238 E C 2.039 178.565 176.600 -0.123 0.000 1.036 238 E CA 2.282 58.578 56.400 -0.174 0.000 0.849 238 E CB -0.750 28.901 29.700 -0.082 0.000 0.767 238 E HN 0.594 nan 8.360 nan 0.000 0.461 239 E N 0.059 120.223 120.200 -0.060 0.000 2.147 239 E HA -0.335 4.017 4.350 0.004 0.000 0.199 239 E C 2.078 178.675 176.600 -0.005 0.000 1.005 239 E CA 1.761 58.143 56.400 -0.031 0.000 0.810 239 E CB -0.201 29.491 29.700 -0.013 0.000 0.736 239 E HN 0.244 nan 8.360 nan 0.000 0.460 240 K N 0.651 121.062 120.400 0.018 0.000 2.009 240 K HA -0.245 4.077 4.320 0.004 0.000 0.210 240 K C 2.394 179.074 176.600 0.133 0.000 1.049 240 K CA 1.758 58.106 56.287 0.103 0.000 0.929 240 K CB -0.186 32.409 32.500 0.158 0.000 0.714 240 K HN -0.009 nan 8.250 nan 0.000 0.440 241 R N 0.690 121.219 120.500 0.049 0.000 2.082 241 R HA -0.149 4.194 4.340 0.004 0.000 0.234 241 R C 2.377 178.602 176.300 -0.125 0.000 1.136 241 R CA 1.941 58.022 56.100 -0.033 0.000 0.935 241 R CB -0.444 29.803 30.300 -0.087 0.000 0.842 241 R HN 0.241 nan 8.270 nan 0.000 0.430 242 L N 0.386 121.551 121.223 -0.096 0.000 2.013 242 L HA -0.220 4.122 4.340 0.004 0.000 0.212 242 L C 2.576 179.391 176.870 -0.091 0.000 1.073 242 L CA 1.406 56.185 54.840 -0.103 0.000 0.753 242 L CB -0.791 41.224 42.059 -0.074 0.000 0.890 242 L HN 0.126 nan 8.230 nan 0.000 0.432 243 V N 0.079 119.973 119.914 -0.033 0.000 2.252 243 V HA -0.369 3.753 4.120 0.004 0.000 0.249 243 V C 2.300 178.378 176.094 -0.027 0.000 1.056 243 V CA 2.435 64.728 62.300 -0.012 0.000 1.022 243 V CB -0.728 31.118 31.823 0.038 0.000 0.641 243 V HN 0.384 nan 8.190 nan 0.000 0.445 244 F N -0.278 119.555 119.950 -0.195 0.000 2.091 244 F HA -0.242 4.286 4.527 0.002 0.000 0.299 244 F C 2.274 177.878 175.800 -0.326 0.000 1.103 244 F CA 1.857 59.668 58.000 -0.314 0.000 1.228 244 F CB -0.146 38.441 39.000 -0.690 0.000 0.984 244 F HN 0.040 nan 8.300 nan 0.000 0.477 245 L N 0.788 121.721 121.223 -0.482 0.000 1.970 245 L HA -0.298 4.044 4.340 0.004 0.000 0.212 245 L C 2.625 179.259 176.870 -0.393 0.000 1.071 245 L CA 2.270 56.803 54.840 -0.512 0.000 0.751 245 L CB -0.768 41.109 42.059 -0.303 0.000 0.889 245 L HN 0.245 nan 8.230 nan 0.000 0.432 246 K N -0.024 120.224 120.400 -0.254 0.000 2.059 246 K HA -0.323 3.999 4.320 0.004 0.000 0.212 246 K C 1.965 178.439 176.600 -0.209 0.000 1.050 246 K CA 2.386 58.560 56.287 -0.188 0.000 0.927 246 K CB -0.175 32.250 32.500 -0.126 0.000 0.714 246 K HN 0.418 nan 8.250 nan 0.000 0.447 247 E N -0.082 119.975 120.200 -0.239 0.000 2.077 247 E HA -0.158 4.194 4.350 0.004 0.000 0.193 247 E C 1.921 178.356 176.600 -0.275 0.000 0.989 247 E CA 1.196 57.468 56.400 -0.212 0.000 0.800 247 E CB 0.068 29.676 29.700 -0.153 0.000 0.746 247 E HN 0.151 nan 8.360 nan 0.000 0.452 248 V N 1.472 121.102 119.914 -0.474 0.000 2.282 248 V HA -0.314 3.808 4.120 0.004 0.000 0.249 248 V C 2.454 178.388 176.094 -0.265 0.000 1.057 248 V CA 1.870 63.891 62.300 -0.465 0.000 1.032 248 V CB -0.481 30.888 31.823 -0.756 0.000 0.645 248 V HN 0.369 nan 8.190 nan 0.000 0.447 249 L N -0.965 120.108 121.223 -0.250 0.000 1.989 249 L HA -0.219 4.123 4.340 0.004 0.000 0.211 249 L C 2.486 179.278 176.870 -0.130 0.000 1.071 249 L CA 1.363 56.102 54.840 -0.168 0.000 0.749 249 L CB -0.821 41.143 42.059 -0.158 0.000 0.890 249 L HN 0.303 nan 8.230 nan 0.000 0.431 250 L N -0.044 121.098 121.223 -0.134 0.000 2.187 250 L HA -0.247 4.095 4.340 0.004 0.000 0.213 250 L C 2.118 178.922 176.870 -0.111 0.000 1.100 250 L CA 1.824 56.597 54.840 -0.112 0.000 0.765 250 L CB -0.909 41.087 42.059 -0.106 0.000 0.904 250 L HN 0.370 nan 8.230 nan 0.000 0.437 251 D N -0.393 119.942 120.400 -0.108 0.000 2.110 251 D HA -0.104 4.538 4.640 0.004 0.000 0.202 251 D C 2.310 178.607 176.300 -0.005 0.000 0.975 251 D CA 0.809 54.764 54.000 -0.074 0.000 0.839 251 D CB 0.141 40.923 40.800 -0.030 0.000 0.996 251 D HN 0.290 nan 8.370 nan 0.000 0.464 252 I N 1.534 122.100 120.570 -0.007 0.000 2.113 252 I HA -0.321 3.851 4.170 0.004 0.000 0.242 252 I C 2.568 178.683 176.117 -0.004 0.000 1.064 252 I CA 1.311 62.620 61.300 0.014 0.000 1.320 252 I CB -0.426 37.546 38.000 -0.048 0.000 1.028 252 I HN 0.028 nan 8.210 nan 0.000 0.406 253 K N 1.836 122.203 120.400 -0.055 0.000 2.063 253 K HA -0.244 4.078 4.320 0.004 0.000 0.208 253 K C 2.160 178.705 176.600 -0.093 0.000 1.048 253 K CA 1.705 57.949 56.287 -0.073 0.000 0.928 253 K CB -0.442 32.009 32.500 -0.082 0.000 0.713 253 K HN 0.253 nan 8.250 nan 0.000 0.442 254 R N -0.520 119.899 120.500 -0.134 0.000 2.241 254 R HA -0.123 4.219 4.340 0.004 0.000 0.224 254 R C 1.380 177.526 176.300 -0.256 0.000 1.101 254 R CA 1.439 57.411 56.100 -0.213 0.000 0.995 254 R CB -0.071 30.054 30.300 -0.292 0.000 0.870 254 R HN 0.461 nan 8.270 nan 0.000 0.463 255 H N -1.457 117.563 119.070 -0.083 0.000 2.604 255 H HA 0.135 4.693 4.556 0.004 0.000 0.273 255 H C 1.603 176.864 175.328 -0.112 0.000 0.971 255 H CA 0.344 56.341 56.048 -0.086 0.000 1.249 255 H CB 0.492 30.211 29.762 -0.071 0.000 1.449 255 H HN 0.064 nan 8.280 nan 0.000 0.512 256 L N 0.500 121.718 121.223 -0.008 0.000 2.395 256 L HA -0.027 4.315 4.340 0.004 0.000 0.218 256 L C 0.608 177.395 176.870 -0.140 0.000 1.130 256 L CA 0.111 54.903 54.840 -0.079 0.000 0.826 256 L CB -0.014 42.001 42.059 -0.072 0.000 0.941 256 L HN 0.214 nan 8.230 nan 0.000 0.451 257 N N 0.888 119.508 118.700 -0.133 0.000 2.555 257 N HA 0.075 4.817 4.740 0.004 0.000 0.244 257 N C 0.807 176.191 175.510 -0.210 0.000 1.114 257 N CA 0.180 53.131 53.050 -0.164 0.000 0.963 257 N CB 0.577 38.985 38.487 -0.133 0.000 1.276 257 N HN 0.140 nan 8.380 nan 0.000 0.510 258 L N 1.537 122.572 121.223 -0.314 0.000 2.056 258 L HA 0.057 4.399 4.340 0.004 0.000 0.207 258 L C 1.347 177.923 176.870 -0.489 0.000 1.078 258 L CA 0.486 55.059 54.840 -0.444 0.000 0.749 258 L CB -0.549 41.109 42.059 -0.668 0.000 0.901 258 L HN 0.537 nan 8.230 nan 0.000 0.433 259 A N 0.021 122.569 122.820 -0.453 0.000 2.455 259 A HA -0.054 4.268 4.320 0.004 0.000 0.244 259 A C 0.907 178.423 177.584 -0.114 0.000 1.099 259 A CA 0.280 52.166 52.037 -0.253 0.000 0.786 259 A CB -0.057 18.845 19.000 -0.164 0.000 1.051 259 A HN 0.558 nan 8.150 nan 0.000 0.508 260 E N -1.855 118.329 120.200 -0.027 0.000 3.065 260 E HA -0.273 4.079 4.350 0.004 0.000 0.277 260 E C -0.116 176.487 176.600 0.006 0.000 1.008 260 E CA 1.192 57.586 56.400 -0.010 0.000 0.864 260 E CB -1.810 27.867 29.700 -0.038 0.000 1.439 260 E HN 0.717 nan 8.360 nan 0.000 0.445 261 N N 0.146 118.868 118.700 0.038 0.000 2.457 261 N HA 0.187 4.929 4.740 0.004 0.000 0.250 261 N C 1.140 176.731 175.510 0.134 0.000 0.982 261 N CA 0.456 53.548 53.050 0.070 0.000 0.941 261 N CB 0.839 39.362 38.487 0.060 0.000 1.120 261 N HN 0.144 nan 8.380 nan 0.000 0.505 262 S N 2.204 117.963 115.700 0.098 0.000 2.393 262 S HA -0.281 4.192 4.470 0.004 0.000 0.235 262 S C 1.779 176.477 174.600 0.164 0.000 1.061 262 S CA 1.714 59.983 58.200 0.116 0.000 1.129 262 S CB -0.644 62.609 63.200 0.087 0.000 1.011 262 S HN 0.518 nan 8.310 nan 0.000 0.436 263 S N 0.516 116.295 115.700 0.133 0.000 2.400 263 S HA -0.062 4.410 4.470 0.004 0.000 0.232 263 S C 1.533 176.247 174.600 0.189 0.000 1.025 263 S CA 1.303 59.570 58.200 0.111 0.000 0.993 263 S CB -0.569 62.659 63.200 0.047 0.000 0.808 263 S HN 0.684 nan 8.310 nan 0.000 0.478 264 Y N 1.520 121.887 120.300 0.111 0.000 2.314 264 Y HA 0.033 4.586 4.550 0.004 0.000 0.293 264 Y C 1.780 177.806 175.900 0.210 0.000 1.129 264 Y CA 1.053 59.245 58.100 0.154 0.000 1.201 264 Y CB -0.032 38.488 38.460 0.099 0.000 0.999 264 Y HN 0.164 nan 8.280 nan 0.000 0.541 265 I N -0.326 120.391 120.570 0.246 0.000 2.761 265 I HA -0.216 3.956 4.170 0.004 0.000 0.261 265 I C 2.139 178.338 176.117 0.137 0.000 1.198 265 I CA 1.477 62.862 61.300 0.142 0.000 1.482 265 I CB -1.400 36.682 38.000 0.136 0.000 1.100 265 I HN 0.420 nan 8.210 nan 0.000 0.445 266 H N 0.644 119.748 119.070 0.056 0.000 2.333 266 H HA -0.096 4.463 4.556 0.004 0.000 0.302 266 H C 2.393 177.728 175.328 0.011 0.000 1.075 266 H CA 1.537 57.606 56.048 0.035 0.000 1.348 266 H CB 0.288 30.070 29.762 0.035 0.000 1.393 266 H HN 0.001 nan 8.280 nan 0.000 0.509 267 V N 0.225 120.278 119.914 0.232 0.000 2.392 267 V HA -0.301 3.821 4.120 0.004 0.000 0.249 267 V C 1.628 177.681 176.094 -0.069 0.000 1.059 267 V CA 2.028 64.363 62.300 0.058 0.000 1.051 267 V CB -0.642 31.119 31.823 -0.102 0.000 0.658 267 V HN 0.515 nan 8.190 nan 0.000 0.455 268 Y N 0.437 120.687 120.300 -0.083 0.000 2.153 268 Y HA -0.068 4.485 4.550 0.004 0.000 0.289 268 Y C 2.765 178.634 175.900 -0.051 0.000 1.127 268 Y CA 2.120 60.167 58.100 -0.088 0.000 1.131 268 Y CB -0.374 37.998 38.460 -0.148 0.000 0.995 268 Y HN 0.107 nan 8.280 nan 0.000 0.505 269 R N 0.152 120.706 120.500 0.090 0.000 2.127 269 R HA -0.219 4.124 4.340 0.004 0.000 0.238 269 R C 2.122 178.410 176.300 -0.021 0.000 1.134 269 R CA 1.685 57.791 56.100 0.010 0.000 0.975 269 R CB -0.303 29.970 30.300 -0.045 0.000 0.865 269 R HN 0.447 nan 8.270 nan 0.000 0.447 270 E N 0.580 120.771 120.200 -0.016 0.000 2.268 270 E HA -0.155 4.197 4.350 0.004 0.000 0.195 270 E C 1.768 178.369 176.600 0.002 0.000 0.995 270 E CA 0.408 56.812 56.400 0.008 0.000 0.836 270 E CB 0.168 29.951 29.700 0.138 0.000 0.763 270 E HN 0.174 nan 8.360 nan 0.000 0.491 271 L N 1.472 122.682 121.223 -0.022 0.000 2.023 271 L HA -0.103 4.239 4.340 0.004 0.000 0.205 271 L C 2.091 178.958 176.870 -0.005 0.000 1.073 271 L CA 1.893 56.711 54.840 -0.037 0.000 0.745 271 L CB -0.864 41.141 42.059 -0.090 0.000 0.900 271 L HN 0.226 nan 8.230 nan 0.000 0.435 272 E N -0.577 119.628 120.200 0.008 0.000 2.478 272 E HA -0.251 4.101 4.350 0.004 0.000 0.198 272 E C 1.860 178.459 176.600 -0.002 0.000 1.046 272 E CA 0.403 56.808 56.400 0.009 0.000 0.870 272 E CB 0.313 30.023 29.700 0.017 0.000 0.818 272 E HN 0.538 nan 8.360 nan 0.000 0.527 273 Q N -0.086 119.710 119.800 -0.006 0.000 2.187 273 Q HA -0.016 4.327 4.340 0.004 0.000 0.199 273 Q C 1.617 177.615 176.000 -0.004 0.000 0.957 273 Q CA 1.525 57.322 55.803 -0.010 0.000 0.857 273 Q CB -0.020 28.709 28.738 -0.014 0.000 0.929 273 Q HN 0.206 nan 8.270 nan 0.000 0.453 274 A N -0.190 122.630 122.820 -0.000 0.000 1.997 274 A HA 0.179 4.502 4.320 0.004 0.000 0.212 274 A C 1.937 179.523 177.584 0.002 0.000 1.178 274 A CA 0.589 52.628 52.037 0.003 0.000 0.698 274 A CB -0.189 18.816 19.000 0.008 0.000 0.842 274 A HN 0.399 nan 8.150 nan 0.000 0.458 275 I N -1.309 119.262 120.570 0.002 0.000 2.260 275 I HA -0.056 4.116 4.170 0.004 0.000 0.237 275 I C 2.467 178.578 176.117 -0.009 0.000 1.075 275 I CA 0.869 62.168 61.300 -0.002 0.000 1.376 275 I CB -0.307 37.692 38.000 -0.001 0.000 1.107 275 I HN 0.199 nan 8.210 nan 0.000 0.420 276 R N 1.131 121.626 120.500 -0.008 0.000 2.397 276 R HA -0.107 4.235 4.340 0.004 0.000 0.213 276 R C 1.861 178.155 176.300 -0.009 0.000 1.102 276 R CA 0.942 57.035 56.100 -0.010 0.000 1.040 276 R CB -0.266 30.029 30.300 -0.008 0.000 0.844 276 R HN 0.450 nan 8.270 nan 0.000 0.478 277 G N -0.729 108.066 108.800 -0.008 0.000 2.777 277 G HA2 0.104 4.066 3.960 0.004 0.000 0.211 277 G HA3 0.104 4.066 3.960 0.004 0.000 0.211 277 G C 0.234 175.129 174.900 -0.010 0.000 1.149 277 G CA 0.259 45.355 45.100 -0.007 0.000 0.785 277 G HN 0.366 nan 8.290 nan 0.000 0.536 278 A N 0.273 123.085 122.820 -0.013 0.000 2.386 278 A HA 0.487 4.809 4.320 0.004 0.000 0.248 278 A C -0.518 177.057 177.584 -0.014 0.000 1.082 278 A CA -0.107 51.919 52.037 -0.018 0.000 0.789 278 A CB 0.533 19.518 19.000 -0.025 0.000 1.025 278 A HN 0.141 nan 8.150 nan 0.000 0.490 279 D N 0.947 121.340 120.400 -0.012 0.000 2.575 279 D HA 0.505 5.147 4.640 0.004 0.000 0.250 279 D C 0.748 177.053 176.300 0.008 0.000 1.279 279 D CA 0.208 54.209 54.000 0.001 0.000 0.925 279 D CB 1.669 42.476 40.800 0.011 0.000 1.261 279 D HN 0.439 nan 8.370 nan 0.000 0.567 280 A N 4.321 127.144 122.820 0.005 0.000 1.851 280 A HA -0.229 4.094 4.320 0.004 0.000 0.216 280 A C 1.915 179.529 177.584 0.050 0.000 1.195 280 A CA 1.379 53.424 52.037 0.014 0.000 0.622 280 A CB -0.404 18.597 19.000 0.001 0.000 0.831 280 A HN 0.694 nan 8.150 nan 0.000 0.444 281 Q N -0.425 119.402 119.800 0.045 0.000 1.928 281 Q HA -0.305 4.037 4.340 0.004 0.000 0.223 281 Q C 1.848 177.906 176.000 0.098 0.000 1.042 281 Q CA 1.825 57.665 55.803 0.063 0.000 0.892 281 Q CB -1.034 27.732 28.738 0.047 0.000 1.001 281 Q HN 0.679 nan 8.270 nan 0.000 0.419 282 E N 1.008 121.261 120.200 0.088 0.000 2.108 282 E HA -0.208 4.144 4.350 0.004 0.000 0.203 282 E C 1.683 178.393 176.600 0.183 0.000 1.022 282 E CA 1.698 58.166 56.400 0.114 0.000 0.823 282 E CB -0.244 29.500 29.700 0.073 0.000 0.744 282 E HN 0.311 nan 8.360 nan 0.000 0.456 283 D N 0.209 120.705 120.400 0.159 0.000 2.087 283 D HA -0.155 4.487 4.640 0.004 0.000 0.192 283 D C 2.219 178.777 176.300 0.430 0.000 0.993 283 D CA 0.858 55.010 54.000 0.252 0.000 0.828 283 D CB -0.552 40.326 40.800 0.130 0.000 0.968 283 D HN 0.172 nan 8.370 nan 0.000 0.448 284 L N 0.305 121.707 121.223 0.298 0.000 1.990 284 L HA -0.244 4.098 4.340 0.004 0.000 0.213 284 L C 2.631 179.680 176.870 0.298 0.000 1.072 284 L CA 1.468 56.479 54.840 0.286 0.000 0.755 284 L CB -0.496 41.650 42.059 0.144 0.000 0.889 284 L HN 0.085 nan 8.230 nan 0.000 0.432 285 R N -0.434 120.207 120.500 0.235 0.000 2.113 285 R HA -0.285 4.057 4.340 0.004 0.000 0.244 285 R C 2.263 178.712 176.300 0.249 0.000 1.142 285 R CA 2.565 58.785 56.100 0.200 0.000 0.953 285 R CB -0.648 29.752 30.300 0.166 0.000 0.860 285 R HN 0.478 nan 8.270 nan 0.000 0.438 286 W N 0.287 121.673 121.300 0.142 0.000 2.358 286 W HA -0.202 4.461 4.660 0.004 0.000 0.303 286 W C 1.784 178.384 176.519 0.136 0.000 1.208 286 W CA 1.489 58.908 57.345 0.123 0.000 1.274 286 W CB -0.557 28.980 29.460 0.127 0.000 1.138 286 W HN 0.147 nan 8.180 nan 0.000 0.515 287 F N 1.293 121.308 119.950 0.109 0.000 2.171 287 F HA -0.173 4.356 4.527 0.004 0.000 0.300 287 F C 2.639 178.276 175.800 -0.272 0.000 1.090 287 F CA 2.228 60.104 58.000 -0.206 0.000 1.293 287 F CB -0.435 38.603 39.000 0.064 0.000 1.013 287 F HN -0.219 nan 8.300 nan 0.000 0.486 288 R N -0.488 120.126 120.500 0.189 0.000 2.237 288 R HA -0.081 4.261 4.340 0.004 0.000 0.219 288 R C 1.921 178.187 176.300 -0.057 0.000 1.080 288 R CA 1.341 57.505 56.100 0.107 0.000 0.995 288 R CB -0.096 30.265 30.300 0.101 0.000 0.875 288 R HN 0.240 nan 8.270 nan 0.000 0.462 289 S N -1.390 114.206 115.700 -0.174 0.000 2.456 289 S HA 0.008 4.480 4.470 0.004 0.000 0.224 289 S C 1.590 175.960 174.600 -0.383 0.000 1.035 289 S CA 0.847 58.912 58.200 -0.224 0.000 0.940 289 S CB 0.450 63.547 63.200 -0.173 0.000 0.799 289 S HN 0.308 nan 8.310 nan 0.000 0.508 290 T N 1.263 115.402 114.554 -0.692 0.000 2.809 290 T HA 0.113 4.465 4.350 0.004 0.000 0.260 290 T C 1.487 175.803 174.700 -0.639 0.000 1.039 290 T CA 1.020 62.625 62.100 -0.825 0.000 1.141 290 T CB -0.060 67.890 68.868 -1.531 0.000 0.869 290 T HN 0.258 nan 8.240 nan 0.000 0.437 291 S N -0.156 115.115 115.700 -0.715 0.000 2.780 291 S HA 0.431 4.903 4.470 0.004 0.000 0.248 291 S C 0.718 175.206 174.600 -0.186 0.000 1.036 291 S CA -0.503 57.408 58.200 -0.481 0.000 1.061 291 S CB 0.838 63.652 63.200 -0.643 0.000 1.037 291 S HN 0.515 nan 8.310 nan 0.000 0.584 292 G N 1.962 110.689 108.800 -0.120 0.000 2.568 292 G HA2 0.438 4.401 3.960 0.004 0.000 0.293 292 G HA3 0.438 4.401 3.960 0.004 0.000 0.293 292 G C -2.237 172.648 174.900 -0.025 0.000 1.347 292 G CA -1.316 43.794 45.100 0.017 0.000 1.039 292 G HN -0.022 nan 8.290 nan 0.000 0.523 293 P HA 0.024 nan 4.420 nan 0.000 0.228 293 P C 1.794 179.097 177.300 0.005 0.000 1.151 293 P CA 1.153 64.263 63.100 0.016 0.000 0.770 293 P CB 0.115 31.843 31.700 0.046 0.000 0.786 294 G N 0.718 109.508 108.800 -0.016 0.000 2.418 294 G HA2 -0.189 3.773 3.960 0.004 0.000 0.217 294 G HA3 -0.189 3.773 3.960 0.004 0.000 0.217 294 G C 0.692 175.567 174.900 -0.042 0.000 1.158 294 G CA 0.327 45.414 45.100 -0.022 0.000 0.771 294 G HN 0.301 nan 8.290 nan 0.000 0.545 295 M N 1.206 120.757 119.600 -0.083 0.000 2.251 295 M HA 0.333 4.815 4.480 0.004 0.000 0.343 295 M C -2.489 173.746 176.300 -0.108 0.000 1.245 295 M CA -1.299 53.939 55.300 -0.103 0.000 1.061 295 M CB -0.324 32.194 32.600 -0.137 0.000 1.723 295 M HN -0.199 nan 8.290 nan 0.000 0.449 296 P HA 0.197 nan 4.420 nan 0.000 0.268 296 P C -0.759 176.368 177.300 -0.288 0.000 1.208 296 P CA -0.016 63.001 63.100 -0.139 0.000 0.777 296 P CB 0.538 32.179 31.700 -0.097 0.000 0.875 297 M N 2.207 121.492 119.600 -0.525 0.000 2.530 297 M HA 0.264 4.746 4.480 0.004 0.000 0.307 297 M C -0.821 174.898 176.300 -0.968 0.000 1.161 297 M CA -0.790 53.986 55.300 -0.875 0.000 0.903 297 M CB 1.722 33.442 32.600 -1.467 0.000 1.711 297 M HN 0.172 nan 8.290 nan 0.000 0.451 298 N N 3.893 122.218 118.700 -0.625 0.000 2.868 298 N HA 0.227 4.969 4.740 0.004 0.000 0.252 298 N C -1.490 173.877 175.510 -0.238 0.000 1.130 298 N CA 0.018 52.855 53.050 -0.355 0.000 1.026 298 N CB -0.173 38.204 38.487 -0.184 0.000 1.335 298 N HN 0.408 nan 8.380 nan 0.000 0.516 299 W N 0.692 121.986 121.300 -0.010 0.000 2.639 299 W HA 0.652 5.314 4.660 0.004 0.000 0.347 299 W C -1.549 174.966 176.519 -0.007 0.000 1.067 299 W CA -2.375 54.965 57.345 -0.008 0.000 1.218 299 W CB -1.743 27.712 29.460 -0.008 0.000 1.393 299 W HN 0.139 nan 8.180 nan 0.000 0.557 300 P HA 0.000 nan 4.420 nan 0.000 0.216 300 P CA 0.000 63.181 63.100 0.134 0.000 0.800 300 P CB 0.000 31.753 31.700 0.089 0.000 0.726