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 3hf3_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALLFTPLELG GLRLKNRLAM SPMCQYSATL EGEVTDWHLL HYPTRALGGV DATA SEQUENCE GLILVEATAV EPLGRISPYD LGIWSEDHLP GLKELARRIR EAGAVPGIQL DATA SEQUENCE AHAGRKAGTA RPWEGGKPLG WRVVGPSPIP FDEGYPVPEP LDEAGMERIL DATA SEQUENCE QAFVEGARRA LRAGFQVIEL HMAHGYLLSS FLSPLSNQRT DAYGGSLENR DATA SEQUENCE MRFPLQVAQA VREVVPRELP LFVRVSATDW GEGGWSLEDT LAFARRLKEL DATA SEQUENCE GVDLLDCSSG GVVLRVRIPL APGFQVPFAD AVRKRVGLRT GAVGLITTPE DATA SEQUENCE QAETLLQAGS ADLVLLGRVL LRDPYFPLRA AKALGVAPEV PPQYQRGF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.651 177.584 0.112 0.000 1.274 2 A CA 0.000 52.107 52.037 0.117 0.000 0.836 2 A CB 0.000 19.113 19.000 0.188 0.000 0.831 3 L N 1.656 122.921 121.223 0.070 0.000 2.191 3 L HA -0.134 4.066 4.340 -0.234 0.000 0.212 3 L C 2.339 179.210 176.870 0.002 0.000 1.103 3 L CA 0.986 55.847 54.840 0.036 0.000 0.769 3 L CB -0.233 41.838 42.059 0.020 0.000 0.908 3 L HN 0.821 nan 8.230 nan 0.000 0.438 4 L N -0.759 120.468 121.223 0.007 0.000 2.127 4 L HA -0.164 4.036 4.340 -0.234 0.000 0.211 4 L C 1.177 177.764 176.870 -0.473 0.000 1.089 4 L CA 1.884 56.624 54.840 -0.167 0.000 0.757 4 L CB -0.339 41.670 42.059 -0.082 0.000 0.899 4 L HN 0.084 nan 8.230 nan 0.000 0.434 5 F N -1.089 118.871 119.950 0.016 0.000 2.855 5 F HA 0.266 4.648 4.527 -0.241 0.000 0.317 5 F C 0.742 176.544 175.800 0.004 0.000 1.169 5 F CA -0.353 57.651 58.000 0.007 0.000 1.299 5 F CB -0.239 38.757 39.000 -0.007 0.000 0.962 5 F HN -0.050 nan 8.300 nan 0.000 0.506 6 T N -1.738 112.851 114.554 0.058 0.000 2.859 6 T HA 0.560 4.769 4.350 -0.234 0.000 0.281 6 T C -2.816 171.892 174.700 0.013 0.000 1.005 6 T CA -2.780 59.346 62.100 0.045 0.000 1.025 6 T CB 2.116 71.005 68.868 0.035 0.000 0.977 6 T HN -0.241 nan 8.240 nan 0.000 0.458 7 P HA 0.296 nan 4.420 nan 0.000 0.269 7 P C -0.965 176.338 177.300 0.005 0.000 1.215 7 P CA -0.588 62.519 63.100 0.011 0.000 0.780 7 P CB 0.345 32.054 31.700 0.016 0.000 0.898 8 L N 2.227 123.454 121.223 0.007 0.000 2.341 8 L HA 0.356 4.555 4.340 -0.234 0.000 0.278 8 L C -0.401 176.480 176.870 0.020 0.000 1.005 8 L CA -0.381 54.465 54.840 0.010 0.000 0.818 8 L CB 1.221 43.286 42.059 0.010 0.000 1.259 8 L HN 0.222 nan 8.230 nan 0.000 0.418 9 E N 6.579 126.789 120.200 0.017 0.000 2.167 9 E HA 0.439 4.649 4.350 -0.234 0.000 0.284 9 E C -1.124 175.494 176.600 0.031 0.000 1.016 9 E CA -0.194 56.219 56.400 0.021 0.000 0.817 9 E CB 1.553 31.262 29.700 0.014 0.000 1.080 9 E HN 0.548 nan 8.360 nan 0.000 0.397 10 L N 0.973 122.224 121.223 0.047 0.000 2.388 10 L HA 0.467 4.667 4.340 -0.234 0.000 0.264 10 L C 1.338 178.243 176.870 0.057 0.000 0.998 10 L CA -0.789 54.091 54.840 0.067 0.000 0.817 10 L CB 1.946 44.084 42.059 0.131 0.000 1.338 10 L HN 0.761 nan 8.230 nan 0.000 0.414 11 G N 1.795 110.628 108.800 0.055 0.000 2.679 11 G HA2 -0.374 3.445 3.960 -0.234 0.000 0.373 11 G HA3 -0.374 3.445 3.960 -0.234 0.000 0.373 11 G C 0.880 175.795 174.900 0.024 0.000 1.114 11 G CA 0.894 46.015 45.100 0.035 0.000 0.898 11 G HN 1.024 nan 8.290 nan 0.000 0.648 12 G N -0.473 108.338 108.800 0.018 0.000 3.126 12 G HA2 0.520 4.340 3.960 -0.234 0.000 0.224 12 G HA3 0.520 4.340 3.960 -0.234 0.000 0.224 12 G C 0.641 175.547 174.900 0.010 0.000 1.142 12 G CA 0.157 45.264 45.100 0.011 0.000 0.759 12 G HN 0.532 nan 8.290 nan 0.000 0.550 13 L N -0.194 121.039 121.223 0.016 0.000 2.416 13 L HA 0.566 4.765 4.340 -0.234 0.000 0.262 13 L C 0.446 177.327 176.870 0.017 0.000 1.093 13 L CA -1.008 53.840 54.840 0.013 0.000 0.801 13 L CB 1.360 43.428 42.059 0.015 0.000 1.191 13 L HN -0.026 nan 8.230 nan 0.000 0.459 14 R N 1.838 122.345 120.500 0.013 0.000 2.371 14 R HA 0.463 4.663 4.340 -0.234 0.000 0.312 14 R C -1.171 175.138 176.300 0.015 0.000 0.980 14 R CA -0.613 55.496 56.100 0.015 0.000 0.867 14 R CB 0.738 31.044 30.300 0.010 0.000 1.163 14 R HN 0.560 nan 8.270 nan 0.000 0.492 15 L N 5.346 126.583 121.223 0.023 0.000 2.456 15 L HA 0.075 4.275 4.340 -0.234 0.000 0.272 15 L C 1.649 178.526 176.870 0.013 0.000 1.189 15 L CA 0.128 54.980 54.840 0.021 0.000 0.846 15 L CB 0.791 42.870 42.059 0.034 0.000 1.111 15 L HN 0.715 nan 8.230 nan 0.000 0.475 16 K N 1.119 121.526 120.400 0.012 0.000 2.418 16 K HA 0.004 4.184 4.320 -0.234 0.000 0.195 16 K C 0.073 176.685 176.600 0.020 0.000 1.035 16 K CA 0.518 56.816 56.287 0.020 0.000 1.003 16 K CB 0.061 32.575 32.500 0.025 0.000 0.793 16 K HN 0.822 nan 8.250 nan 0.000 0.494 17 N N -0.766 117.923 118.700 -0.018 0.000 3.364 17 N HA 0.183 4.783 4.740 -0.234 0.000 0.294 17 N C -0.550 174.890 175.510 -0.117 0.000 1.562 17 N CA -1.109 51.880 53.050 -0.101 0.000 0.862 17 N CB 0.589 38.948 38.487 -0.214 0.000 1.691 17 N HN -0.177 nan 8.380 nan 0.000 0.572 18 R N -0.415 119.965 120.500 -0.199 0.000 2.468 18 R HA 0.388 4.588 4.340 -0.234 0.000 0.280 18 R C -0.318 175.922 176.300 -0.100 0.000 0.963 18 R CA -0.222 55.808 56.100 -0.117 0.000 1.083 18 R CB -0.404 29.833 30.300 -0.106 0.000 1.200 18 R HN 0.473 nan 8.270 nan 0.000 0.541 19 L N 1.248 122.394 121.223 -0.129 0.000 2.292 19 L HA 0.520 4.720 4.340 -0.234 0.000 0.284 19 L C 0.123 177.007 176.870 0.024 0.000 1.065 19 L CA -0.669 54.149 54.840 -0.036 0.000 0.806 19 L CB 1.568 43.614 42.059 -0.021 0.000 1.175 19 L HN -0.023 nan 8.230 nan 0.000 0.431 20 A N 4.463 127.317 122.820 0.058 0.000 2.401 20 A HA 0.647 4.826 4.320 -0.234 0.000 0.310 20 A C -0.651 176.991 177.584 0.096 0.000 1.075 20 A CA -0.675 51.413 52.037 0.086 0.000 0.746 20 A CB 1.687 20.759 19.000 0.119 0.000 1.277 20 A HN 0.764 nan 8.150 nan 0.000 0.425 21 M N 2.436 122.101 119.600 0.107 0.000 2.146 21 M HA 0.262 4.602 4.480 -0.234 0.000 0.352 21 M C 0.400 176.780 176.300 0.133 0.000 1.343 21 M CA 0.099 55.474 55.300 0.125 0.000 1.115 21 M CB 0.434 33.122 32.600 0.148 0.000 1.657 21 M HN 0.785 nan 8.290 nan 0.000 0.471 22 S N 6.235 122.013 115.700 0.130 0.000 2.579 22 S HA 0.385 4.715 4.470 -0.234 0.000 0.275 22 S C -2.332 172.360 174.600 0.154 0.000 1.345 22 S CA -1.191 57.087 58.200 0.130 0.000 1.031 22 S CB 0.487 63.761 63.200 0.123 0.000 0.892 22 S HN 0.519 nan 8.310 nan 0.000 0.529 23 P HA 0.211 nan 4.420 nan 0.000 0.271 23 P C -1.103 176.300 177.300 0.172 0.000 1.220 23 P CA 0.206 63.386 63.100 0.134 0.000 0.768 23 P CB 0.228 31.956 31.700 0.047 0.000 0.848 24 M N 2.676 122.411 119.600 0.224 0.000 2.122 24 M HA 0.191 4.531 4.480 -0.234 0.000 0.269 24 M C -0.566 175.837 176.300 0.171 0.000 0.954 24 M CA -0.536 54.890 55.300 0.211 0.000 0.998 24 M CB 1.547 34.292 32.600 0.242 0.000 1.755 24 M HN 0.222 nan 8.290 nan 0.000 0.459 25 C N 3.247 122.581 119.300 0.057 0.000 2.437 25 C HA -0.050 4.270 4.460 -0.234 0.000 0.399 25 C C 1.693 176.602 174.990 -0.134 0.000 1.478 25 C CA 0.262 59.172 59.018 -0.179 0.000 1.538 25 C CB -0.225 27.194 27.740 -0.535 0.000 2.506 25 C HN 0.749 nan 8.230 nan 0.000 0.603 26 Q N 1.313 121.072 119.800 -0.067 0.000 2.396 26 Q HA 0.064 4.263 4.340 -0.234 0.000 0.209 26 Q C 0.395 176.485 176.000 0.150 0.000 0.906 26 Q CA 0.202 56.024 55.803 0.032 0.000 0.927 26 Q CB 0.003 28.759 28.738 0.030 0.000 1.069 26 Q HN 0.932 nan 8.270 nan 0.000 0.523 27 Y N -0.375 120.010 120.300 0.141 0.000 3.589 27 Y HA -0.260 4.148 4.550 -0.236 0.000 0.218 27 Y C 0.723 176.682 175.900 0.099 0.000 1.234 27 Y CA 0.903 59.069 58.100 0.111 0.000 1.576 27 Y CB -2.510 35.911 38.460 -0.065 0.000 1.487 27 Y HN -0.043 nan 8.280 nan 0.000 0.616 28 S N -1.915 113.906 115.700 0.203 0.000 2.780 28 S HA 0.613 4.943 4.470 -0.234 0.000 0.248 28 S C 1.013 175.784 174.600 0.284 0.000 1.036 28 S CA 0.027 58.269 58.200 0.070 0.000 1.061 28 S CB 0.335 63.358 63.200 -0.295 0.000 1.037 28 S HN 0.569 nan 8.310 nan 0.000 0.584 29 A N 2.181 125.266 122.820 0.441 0.000 2.296 29 A HA 0.605 4.785 4.320 -0.234 0.000 0.264 29 A C 1.004 178.817 177.584 0.381 0.000 1.097 29 A CA -0.235 52.058 52.037 0.427 0.000 0.811 29 A CB -0.196 18.959 19.000 0.258 0.000 1.072 29 A HN 0.399 nan 8.150 nan 0.000 0.495 30 T N -1.240 113.486 114.554 0.287 0.000 2.667 30 T HA 0.244 4.454 4.350 -0.234 0.000 0.305 30 T C 1.093 175.934 174.700 0.235 0.000 1.022 30 T CA 0.231 62.490 62.100 0.266 0.000 0.995 30 T CB -0.034 68.942 68.868 0.180 0.000 1.026 30 T HN 0.365 nan 8.240 nan 0.000 0.527 31 L N 0.071 121.389 121.223 0.160 0.000 2.275 31 L HA 0.036 4.236 4.340 -0.234 0.000 0.215 31 L C 2.471 179.409 176.870 0.113 0.000 1.119 31 L CA 1.174 56.036 54.840 0.038 0.000 0.790 31 L CB -0.347 41.717 42.059 0.009 0.000 0.919 31 L HN 0.668 nan 8.230 nan 0.000 0.443 32 E N 0.033 120.325 120.200 0.154 0.000 2.419 32 E HA 0.128 4.338 4.350 -0.234 0.000 0.190 32 E C 1.292 178.029 176.600 0.227 0.000 1.040 32 E CA 0.609 57.143 56.400 0.224 0.000 0.900 32 E CB 0.392 30.177 29.700 0.142 0.000 1.054 32 E HN 0.400 nan 8.360 nan 0.000 0.462 33 G N 2.005 110.895 108.800 0.150 0.000 2.143 33 G HA2 -0.307 3.513 3.960 -0.234 0.000 0.248 33 G HA3 -0.307 3.513 3.960 -0.234 0.000 0.248 33 G C -0.019 174.791 174.900 -0.150 0.000 0.991 33 G CA 0.274 45.337 45.100 -0.062 0.000 0.689 33 G HN 0.333 nan 8.290 nan 0.000 0.522 34 E N -0.246 119.976 120.200 0.037 0.000 2.301 34 E HA 0.479 4.689 4.350 -0.234 0.000 0.275 34 E C 0.856 177.485 176.600 0.048 0.000 1.030 34 E CA -0.829 55.603 56.400 0.053 0.000 0.852 34 E CB 1.839 31.600 29.700 0.102 0.000 1.060 34 E HN 0.115 nan 8.360 nan 0.000 0.401 35 V N 2.918 122.825 119.914 -0.010 0.000 2.814 35 V HA -0.029 3.951 4.120 -0.234 0.000 0.307 35 V C 0.717 176.953 176.094 0.238 0.000 1.089 35 V CA 0.790 63.108 62.300 0.031 0.000 1.212 35 V CB 0.257 32.092 31.823 0.020 0.000 0.912 35 V HN 0.917 nan 8.190 nan 0.000 0.497 36 T N 0.038 114.884 114.554 0.487 0.000 2.693 36 T HA 0.346 4.555 4.350 -0.234 0.000 0.278 36 T C 0.625 175.508 174.700 0.305 0.000 0.994 36 T CA -0.569 61.733 62.100 0.337 0.000 1.033 36 T CB 1.265 70.317 68.868 0.307 0.000 1.342 36 T HN 0.419 nan 8.240 nan 0.000 0.538 37 D N -0.473 120.049 120.400 0.204 0.000 2.149 37 D HA -0.096 4.404 4.640 -0.234 0.000 0.198 37 D C 1.515 177.879 176.300 0.107 0.000 0.990 37 D CA 0.980 55.065 54.000 0.142 0.000 0.839 37 D CB -0.204 40.664 40.800 0.113 0.000 0.948 37 D HN 0.575 nan 8.370 nan 0.000 0.460 38 W N 1.349 122.624 121.300 -0.042 0.000 2.318 38 W HA -0.263 4.286 4.660 -0.185 0.000 0.313 38 W C 1.869 178.300 176.519 -0.147 0.000 1.221 38 W CA 1.699 58.945 57.345 -0.165 0.000 1.266 38 W CB -0.453 28.808 29.460 -0.332 0.000 1.150 38 W HN 0.241 nan 8.180 nan 0.000 0.496 39 H N -0.172 119.005 119.070 0.177 0.000 2.395 39 H HA -0.070 4.347 4.556 -0.232 0.000 0.299 39 H C 2.307 177.732 175.328 0.161 0.000 1.070 39 H CA 2.056 58.229 56.048 0.207 0.000 1.356 39 H CB -0.739 29.255 29.762 0.387 0.000 1.401 39 H HN 0.091 nan 8.280 nan 0.000 0.524 40 L N -0.114 121.238 121.223 0.216 0.000 2.376 40 L HA -0.090 4.110 4.340 -0.234 0.000 0.219 40 L C 1.799 178.690 176.870 0.035 0.000 1.133 40 L CA 0.211 55.135 54.840 0.141 0.000 0.816 40 L CB -0.039 42.089 42.059 0.115 0.000 0.933 40 L HN 0.256 nan 8.230 nan 0.000 0.449 41 L N -0.796 120.379 121.223 -0.080 0.000 2.130 41 L HA -0.079 4.121 4.340 -0.234 0.000 0.200 41 L C 2.530 179.275 176.870 -0.209 0.000 1.075 41 L CA 1.658 56.401 54.840 -0.161 0.000 0.768 41 L CB -0.603 41.289 42.059 -0.278 0.000 0.933 41 L HN 0.168 nan 8.230 nan 0.000 0.451 42 H N -1.430 117.334 119.070 -0.508 0.000 2.290 42 H HA -0.230 4.190 4.556 -0.226 0.000 0.298 42 H C 1.946 177.080 175.328 -0.323 0.000 1.087 42 H CA 2.689 58.382 56.048 -0.592 0.000 1.291 42 H CB -0.386 28.834 29.762 -0.905 0.000 1.369 42 H HN 0.368 nan 8.280 nan 0.000 0.492 43 Y N -0.105 120.125 120.300 -0.117 0.000 2.133 43 Y HA 0.002 4.418 4.550 -0.224 0.000 0.287 43 Y C -0.434 175.423 175.900 -0.071 0.000 1.134 43 Y CA 0.941 58.978 58.100 -0.105 0.000 1.133 43 Y CB -1.613 36.885 38.460 0.064 0.000 0.987 43 Y HN 0.384 nan 8.280 nan 0.000 0.502 44 P HA -0.105 nan 4.420 nan 0.000 0.220 44 P C 1.441 178.773 177.300 0.053 0.000 1.148 44 P CA 2.041 65.181 63.100 0.067 0.000 0.803 44 P CB -0.103 31.627 31.700 0.050 0.000 0.782 45 T N -0.451 114.120 114.554 0.028 0.000 2.720 45 T HA -0.151 4.058 4.350 -0.234 0.000 0.268 45 T C 1.768 176.570 174.700 0.169 0.000 1.037 45 T CA 1.414 63.582 62.100 0.113 0.000 1.144 45 T CB -0.451 68.436 68.868 0.032 0.000 0.864 45 T HN 0.063 nan 8.240 nan 0.000 0.444 46 R N 0.975 121.513 120.500 0.063 0.000 2.189 46 R HA 0.290 4.490 4.340 -0.234 0.000 0.218 46 R C 2.481 178.835 176.300 0.089 0.000 1.074 46 R CA 0.867 57.027 56.100 0.100 0.000 0.991 46 R CB -0.560 29.765 30.300 0.042 0.000 0.883 46 R HN 0.395 nan 8.270 nan 0.000 0.457 47 A N 0.507 123.366 122.820 0.064 0.000 1.897 47 A HA -0.051 4.129 4.320 -0.234 0.000 0.215 47 A C 2.003 179.578 177.584 -0.014 0.000 1.181 47 A CA 0.904 52.960 52.037 0.032 0.000 0.620 47 A CB -0.473 18.543 19.000 0.027 0.000 0.821 47 A HN 0.200 nan 8.150 nan 0.000 0.443 48 L N -0.473 120.733 121.223 -0.028 0.000 2.127 48 L HA -0.159 4.041 4.340 -0.234 0.000 0.211 48 L C 2.671 179.367 176.870 -0.289 0.000 1.089 48 L CA 1.085 55.848 54.840 -0.128 0.000 0.757 48 L CB -0.743 41.271 42.059 -0.075 0.000 0.899 48 L HN 0.522 nan 8.230 nan 0.000 0.434 49 G N -1.086 107.589 108.800 -0.208 0.000 2.535 49 G HA2 0.033 3.853 3.960 -0.234 0.000 0.218 49 G HA3 0.033 3.853 3.960 -0.234 0.000 0.218 49 G C 1.215 176.101 174.900 -0.024 0.000 1.122 49 G CA 0.748 45.749 45.100 -0.165 0.000 0.769 49 G HN 0.584 nan 8.290 nan 0.000 0.549 50 G N -1.446 107.348 108.800 -0.010 0.000 2.192 50 G HA2 -0.091 3.729 3.960 -0.234 0.000 0.193 50 G HA3 -0.091 3.729 3.960 -0.234 0.000 0.193 50 G C 0.411 175.365 174.900 0.091 0.000 0.999 50 G CA 0.205 45.325 45.100 0.033 0.000 0.659 50 G HN 1.326 nan 8.290 nan 0.000 0.503 51 V N -0.157 119.812 119.914 0.092 0.000 2.763 51 V HA 0.600 4.580 4.120 -0.234 0.000 0.306 51 V C 1.794 177.917 176.094 0.048 0.000 1.059 51 V CA 0.879 63.227 62.300 0.080 0.000 1.138 51 V CB 0.915 32.792 31.823 0.089 0.000 0.940 51 V HN 0.918 nan 8.190 nan 0.000 0.489 52 G N 3.086 111.902 108.800 0.027 0.000 2.408 52 G HA2 0.064 3.884 3.960 -0.234 0.000 0.217 52 G HA3 0.064 3.884 3.960 -0.234 0.000 0.217 52 G C 0.187 175.102 174.900 0.026 0.000 1.150 52 G CA 1.205 46.317 45.100 0.019 0.000 0.776 52 G HN 0.838 nan 8.290 nan 0.000 0.542 53 L N -0.397 120.850 121.223 0.040 0.000 2.455 53 L HA 0.675 4.875 4.340 -0.234 0.000 0.264 53 L C -1.401 175.501 176.870 0.053 0.000 0.968 53 L CA -1.021 53.842 54.840 0.040 0.000 0.827 53 L CB 2.201 44.296 42.059 0.060 0.000 1.317 53 L HN -0.019 nan 8.230 nan 0.000 0.407 54 I N 5.272 125.867 120.570 0.041 0.000 2.433 54 I HA 0.385 4.415 4.170 -0.234 0.000 0.292 54 I C -0.873 175.260 176.117 0.028 0.000 1.001 54 I CA -0.633 60.703 61.300 0.059 0.000 1.119 54 I CB 1.876 39.916 38.000 0.067 0.000 1.289 54 I HN 0.478 nan 8.210 nan 0.000 0.438 55 L N 7.122 128.372 121.223 0.044 0.000 2.283 55 L HA 0.366 4.566 4.340 -0.234 0.000 0.281 55 L C -0.170 176.700 176.870 -0.001 0.000 1.033 55 L CA -0.772 54.067 54.840 -0.001 0.000 0.848 55 L CB 1.330 43.405 42.059 0.026 0.000 1.226 55 L HN 0.313 nan 8.230 nan 0.000 0.429 56 V N 3.626 123.467 119.914 -0.121 0.000 2.814 56 V HA -0.110 3.870 4.120 -0.234 0.000 0.307 56 V C 0.931 177.008 176.094 -0.029 0.000 1.089 56 V CA -0.185 61.995 62.300 -0.200 0.000 1.212 56 V CB 0.426 32.032 31.823 -0.361 0.000 0.912 56 V HN 0.850 nan 8.190 nan 0.000 0.497 57 E N 4.177 124.467 120.200 0.149 0.000 2.516 57 E HA 0.102 4.312 4.350 -0.234 0.000 0.270 57 E C 0.313 176.918 176.600 0.009 0.000 1.130 57 E CA -0.105 56.368 56.400 0.122 0.000 1.023 57 E CB 0.438 30.251 29.700 0.189 0.000 1.004 57 E HN 0.850 nan 8.360 nan 0.000 0.463 58 A N 2.629 125.457 122.820 0.014 0.000 2.573 58 A HA 0.063 4.242 4.320 -0.234 0.000 0.250 58 A C -0.141 177.408 177.584 -0.059 0.000 1.049 58 A CA 0.512 52.552 52.037 0.004 0.000 0.767 58 A CB -0.325 18.706 19.000 0.052 0.000 0.965 58 A HN 0.526 nan 8.150 nan 0.000 0.514 59 T N 2.925 117.426 114.554 -0.088 0.000 2.809 59 T HA 0.545 4.755 4.350 -0.234 0.000 0.296 59 T C 0.328 174.954 174.700 -0.124 0.000 1.015 59 T CA 0.340 62.352 62.100 -0.146 0.000 0.954 59 T CB 1.257 69.987 68.868 -0.229 0.000 0.950 59 T HN 1.081 nan 8.240 nan 0.000 0.450 60 A N 2.600 125.375 122.820 -0.075 0.000 2.488 60 A HA 0.390 4.570 4.320 -0.234 0.000 0.249 60 A C 1.547 179.147 177.584 0.026 0.000 1.083 60 A CA -0.466 51.558 52.037 -0.022 0.000 0.768 60 A CB 0.054 19.117 19.000 0.106 0.000 1.017 60 A HN 0.970 nan 8.150 nan 0.000 0.496 61 V N -0.028 119.811 119.914 -0.125 0.000 3.354 61 V HA 0.186 4.166 4.120 -0.234 0.000 0.258 61 V C 0.462 176.584 176.094 0.045 0.000 1.159 61 V CA 1.240 63.455 62.300 -0.142 0.000 1.125 61 V CB -1.488 29.985 31.823 -0.583 0.000 0.774 61 V HN 0.925 nan 8.190 nan 0.000 0.464 62 E N -0.750 119.447 120.200 -0.006 0.000 2.429 62 E HA 0.480 4.690 4.350 -0.234 0.000 0.276 62 E C -2.730 173.569 176.600 -0.502 0.000 0.953 62 E CA -1.992 54.318 56.400 -0.151 0.000 0.787 62 E CB 1.718 31.344 29.700 -0.124 0.000 1.307 62 E HN -0.090 nan 8.360 nan 0.000 0.458 63 P HA 0.004 nan 4.420 nan 0.000 0.219 63 P C 1.185 178.100 177.300 -0.642 0.000 1.150 63 P CA 0.807 63.159 63.100 -1.247 0.000 0.814 63 P CB 0.195 31.070 31.700 -1.376 0.000 0.787 64 L N -1.405 119.530 121.223 -0.481 0.000 2.622 64 L HA 0.060 4.260 4.340 -0.234 0.000 0.233 64 L C 2.054 178.811 176.870 -0.188 0.000 1.156 64 L CA 0.684 55.372 54.840 -0.252 0.000 0.866 64 L CB -0.816 41.165 42.059 -0.130 0.000 0.980 64 L HN 0.069 nan 8.230 nan 0.000 0.448 65 G N -0.646 107.873 108.800 -0.469 0.000 2.880 65 G HA2 -0.005 3.815 3.960 -0.234 0.000 0.209 65 G HA3 -0.005 3.815 3.960 -0.234 0.000 0.209 65 G C 0.775 175.497 174.900 -0.296 0.000 1.157 65 G CA -0.425 44.154 45.100 -0.869 0.000 0.779 65 G HN 0.201 nan 8.290 nan 0.000 0.539 66 R N -0.126 120.354 120.500 -0.033 0.000 2.643 66 R HA 0.275 4.475 4.340 -0.234 0.000 0.270 66 R C 1.128 177.507 176.300 0.131 0.000 1.061 66 R CA -0.305 55.868 56.100 0.122 0.000 1.107 66 R CB 0.918 31.383 30.300 0.274 0.000 0.999 66 R HN 0.116 nan 8.270 nan 0.000 0.460 67 I N 0.381 120.970 120.570 0.032 0.000 2.130 67 I HA -0.192 3.838 4.170 -0.234 0.000 0.234 67 I C 1.354 177.477 176.117 0.010 0.000 1.067 67 I CA 1.173 62.486 61.300 0.022 0.000 1.339 67 I CB -0.313 37.718 38.000 0.053 0.000 1.073 67 I HN 0.616 nan 8.210 nan 0.000 0.405 68 S N 0.783 116.568 115.700 0.143 0.000 2.722 68 S HA 0.358 4.688 4.470 -0.234 0.000 0.292 68 S C -2.096 172.639 174.600 0.226 0.000 1.135 68 S CA -1.310 56.979 58.200 0.147 0.000 1.003 68 S CB 1.434 64.841 63.200 0.345 0.000 1.067 68 S HN -0.065 nan 8.310 nan 0.000 0.546 69 P HA 0.133 nan 4.420 nan 0.000 0.245 69 P C -0.501 176.615 177.300 -0.307 0.000 1.212 69 P CA 0.703 63.791 63.100 -0.020 0.000 0.774 69 P CB -0.469 31.123 31.700 -0.180 0.000 0.999 70 Y N -0.993 119.418 120.300 0.185 0.000 2.706 70 Y HA 0.271 4.681 4.550 -0.232 0.000 0.255 70 Y C 0.297 176.284 175.900 0.145 0.000 1.163 70 Y CA -1.017 57.182 58.100 0.165 0.000 1.174 70 Y CB -0.223 38.325 38.460 0.147 0.000 1.200 70 Y HN -0.170 nan 8.280 nan 0.000 0.544 71 D N 1.050 121.577 120.400 0.211 0.000 2.345 71 D HA 0.144 4.644 4.640 -0.234 0.000 0.247 71 D C 0.280 176.615 176.300 0.057 0.000 1.108 71 D CA -0.039 54.018 54.000 0.094 0.000 0.894 71 D CB 0.978 41.819 40.800 0.069 0.000 1.203 71 D HN 0.111 nan 8.370 nan 0.000 0.430 72 L N 1.321 122.530 121.223 -0.023 0.000 2.573 72 L HA 0.166 4.366 4.340 -0.234 0.000 0.290 72 L C 1.207 177.911 176.870 -0.276 0.000 1.247 72 L CA 0.440 55.169 54.840 -0.186 0.000 0.876 72 L CB 0.009 41.935 42.059 -0.222 0.000 1.123 72 L HN 0.400 nan 8.230 nan 0.000 0.505 73 G N 2.659 111.072 108.800 -0.644 0.000 2.537 73 G HA2 0.629 4.449 3.960 -0.234 0.000 0.308 73 G HA3 0.629 4.449 3.960 -0.234 0.000 0.308 73 G C -0.331 173.816 174.900 -1.255 0.000 1.237 73 G CA -0.422 44.075 45.100 -1.005 0.000 0.968 73 G HN 0.679 nan 8.290 nan 0.000 0.481 74 I N 0.155 120.281 120.570 -0.740 0.000 3.817 74 I HA 0.220 4.250 4.170 -0.234 0.000 0.322 74 I C 0.809 176.909 176.117 -0.028 0.000 1.512 74 I CA -0.670 60.400 61.300 -0.384 0.000 1.066 74 I CB 0.141 37.992 38.000 -0.248 0.000 1.336 74 I HN 0.709 nan 8.210 nan 0.000 0.539 75 W N 0.736 122.141 121.300 0.175 0.000 3.047 75 W HA 0.387 4.908 4.660 -0.232 0.000 0.250 75 W C 0.547 177.115 176.519 0.081 0.000 1.314 75 W CA -0.187 57.214 57.345 0.094 0.000 1.540 75 W CB -0.566 28.916 29.460 0.036 0.000 1.127 75 W HN 0.137 nan 8.180 nan 0.000 0.679 76 S N 0.177 115.831 115.700 -0.077 0.000 2.548 76 S HA 0.266 4.596 4.470 -0.234 0.000 0.286 76 S C 0.473 174.947 174.600 -0.209 0.000 1.098 76 S CA -0.469 57.600 58.200 -0.217 0.000 0.930 76 S CB 1.781 64.677 63.200 -0.507 0.000 1.070 76 S HN 0.006 nan 8.310 nan 0.000 0.480 77 E N 1.494 121.623 120.200 -0.119 0.000 2.409 77 E HA -0.009 4.201 4.350 -0.234 0.000 0.198 77 E C 0.518 177.051 176.600 -0.112 0.000 1.024 77 E CA 1.157 57.510 56.400 -0.079 0.000 0.861 77 E CB 0.036 29.712 29.700 -0.041 0.000 0.788 77 E HN 0.626 nan 8.360 nan 0.000 0.521 78 D N -1.348 118.927 120.400 -0.208 0.000 2.349 78 D HA -0.038 4.462 4.640 -0.234 0.000 0.224 78 D C 0.745 176.916 176.300 -0.214 0.000 1.029 78 D CA 0.396 54.280 54.000 -0.193 0.000 0.879 78 D CB -0.090 40.591 40.800 -0.199 0.000 0.906 78 D HN 0.507 nan 8.370 nan 0.000 0.528 79 H N -0.088 118.887 119.070 -0.159 0.000 2.502 79 H HA 0.129 4.545 4.556 -0.233 0.000 0.283 79 H C 2.215 177.485 175.328 -0.097 0.000 1.015 79 H CA -0.021 55.922 56.048 -0.176 0.000 1.298 79 H CB 0.501 30.090 29.762 -0.288 0.000 1.411 79 H HN 0.023 nan 8.280 nan 0.000 0.556 80 L N 0.823 122.067 121.223 0.034 0.000 1.989 80 L HA -0.138 4.062 4.340 -0.234 0.000 0.211 80 L C -0.496 176.388 176.870 0.023 0.000 1.071 80 L CA 1.320 56.178 54.840 0.030 0.000 0.749 80 L CB -0.970 41.095 42.059 0.010 0.000 0.890 80 L HN 0.283 nan 8.230 nan 0.000 0.431 81 P HA -0.142 nan 4.420 nan 0.000 0.215 81 P C 1.464 178.774 177.300 0.017 0.000 1.153 81 P CA 1.782 64.886 63.100 0.008 0.000 0.853 81 P CB -0.198 31.504 31.700 0.004 0.000 0.788 82 G N -0.444 108.374 108.800 0.030 0.000 2.394 82 G HA2 -0.171 3.648 3.960 -0.234 0.000 0.215 82 G HA3 -0.171 3.648 3.960 -0.234 0.000 0.215 82 G C 1.546 176.472 174.900 0.044 0.000 1.165 82 G CA 0.320 45.444 45.100 0.041 0.000 0.784 82 G HN 0.204 nan 8.290 nan 0.000 0.535 83 L N 0.186 121.443 121.223 0.057 0.000 2.083 83 L HA -0.059 4.141 4.340 -0.234 0.000 0.209 83 L C 2.817 179.734 176.870 0.078 0.000 1.083 83 L CA 1.526 56.447 54.840 0.135 0.000 0.752 83 L CB -0.260 41.908 42.059 0.182 0.000 0.899 83 L HN 0.242 nan 8.230 nan 0.000 0.433 84 K N 0.296 120.701 120.400 0.009 0.000 2.057 84 K HA -0.254 3.926 4.320 -0.234 0.000 0.206 84 K C 2.052 178.593 176.600 -0.099 0.000 1.050 84 K CA 1.619 57.858 56.287 -0.080 0.000 0.935 84 K CB 0.091 32.567 32.500 -0.041 0.000 0.715 84 K HN 0.071 nan 8.250 nan 0.000 0.439 85 E N 0.761 120.937 120.200 -0.040 0.000 2.106 85 E HA -0.175 4.035 4.350 -0.234 0.000 0.192 85 E C 1.826 178.408 176.600 -0.030 0.000 0.984 85 E CA 0.781 57.164 56.400 -0.027 0.000 0.806 85 E CB -0.237 29.468 29.700 0.010 0.000 0.750 85 E HN 0.271 nan 8.360 nan 0.000 0.458 86 L N 0.481 121.698 121.223 -0.011 0.000 1.994 86 L HA -0.035 4.165 4.340 -0.234 0.000 0.208 86 L C 2.219 179.008 176.870 -0.134 0.000 1.071 86 L CA 2.418 57.263 54.840 0.007 0.000 0.745 86 L CB -1.313 40.803 42.059 0.094 0.000 0.892 86 L HN 0.184 nan 8.230 nan 0.000 0.431 87 A N -0.346 122.251 122.820 -0.372 0.000 1.908 87 A HA -0.267 3.912 4.320 -0.234 0.000 0.218 87 A C 2.566 179.958 177.584 -0.319 0.000 1.181 87 A CA 1.925 53.588 52.037 -0.622 0.000 0.627 87 A CB -0.691 17.642 19.000 -1.112 0.000 0.818 87 A HN 0.555 nan 8.150 nan 0.000 0.445 88 R N -0.647 119.721 120.500 -0.220 0.000 2.092 88 R HA -0.043 4.157 4.340 -0.234 0.000 0.231 88 R C 2.221 178.466 176.300 -0.092 0.000 1.119 88 R CA 1.341 57.358 56.100 -0.140 0.000 0.970 88 R CB -0.210 30.029 30.300 -0.102 0.000 0.864 88 R HN 0.484 nan 8.270 nan 0.000 0.440 89 R N -0.027 120.433 120.500 -0.067 0.000 2.153 89 R HA 0.072 4.272 4.340 -0.234 0.000 0.218 89 R C 2.223 178.510 176.300 -0.021 0.000 1.072 89 R CA 0.845 56.928 56.100 -0.027 0.000 0.990 89 R CB -0.034 30.269 30.300 0.006 0.000 0.889 89 R HN 0.290 nan 8.270 nan 0.000 0.452 90 I N 0.154 120.701 120.570 -0.038 0.000 2.163 90 I HA -0.277 3.753 4.170 -0.234 0.000 0.240 90 I C 2.612 178.701 176.117 -0.046 0.000 1.081 90 I CA 1.222 62.505 61.300 -0.028 0.000 1.353 90 I CB -0.219 37.752 38.000 -0.050 0.000 1.054 90 I HN 0.091 nan 8.210 nan 0.000 0.407 91 R N 0.949 121.401 120.500 -0.080 0.000 2.091 91 R HA -0.241 3.959 4.340 -0.234 0.000 0.238 91 R C 2.287 178.553 176.300 -0.056 0.000 1.136 91 R CA 1.819 57.876 56.100 -0.073 0.000 0.959 91 R CB -0.214 30.028 30.300 -0.096 0.000 0.856 91 R HN 0.346 nan 8.270 nan 0.000 0.437 92 E N -0.605 119.562 120.200 -0.055 0.000 2.153 92 E HA -0.154 4.056 4.350 -0.234 0.000 0.194 92 E C 1.087 177.660 176.600 -0.045 0.000 0.988 92 E CA 1.115 57.487 56.400 -0.047 0.000 0.811 92 E CB 0.008 29.682 29.700 -0.042 0.000 0.746 92 E HN 0.479 nan 8.360 nan 0.000 0.466 93 A N -0.434 122.363 122.820 -0.038 0.000 2.275 93 A HA 0.313 4.493 4.320 -0.234 0.000 0.212 93 A C 1.494 179.053 177.584 -0.043 0.000 1.201 93 A CA 0.829 52.842 52.037 -0.040 0.000 0.843 93 A CB 0.126 19.114 19.000 -0.020 0.000 0.873 93 A HN 0.436 nan 8.150 nan 0.000 0.492 94 G N -2.510 106.267 108.800 -0.039 0.000 2.229 94 G HA2 0.218 4.038 3.960 -0.234 0.000 0.189 94 G HA3 0.218 4.038 3.960 -0.234 0.000 0.189 94 G C 0.301 175.187 174.900 -0.023 0.000 1.000 94 G CA -0.010 45.068 45.100 -0.037 0.000 0.663 94 G HN 1.445 nan 8.290 nan 0.000 0.493 95 A N 0.022 122.831 122.820 -0.017 0.000 2.306 95 A HA 0.830 5.010 4.320 -0.234 0.000 0.330 95 A C 0.313 177.885 177.584 -0.020 0.000 1.146 95 A CA -0.261 51.772 52.037 -0.006 0.000 0.827 95 A CB 1.671 20.679 19.000 0.012 0.000 1.178 95 A HN 1.043 nan 8.150 nan 0.000 0.490 96 V N 3.686 123.592 119.914 -0.015 0.000 2.508 96 V HA 0.254 4.234 4.120 -0.234 0.000 0.281 96 V C -1.933 174.145 176.094 -0.027 0.000 1.041 96 V CA -0.829 61.455 62.300 -0.027 0.000 1.016 96 V CB 0.975 32.787 31.823 -0.018 0.000 0.984 96 V HN 0.777 nan 8.190 nan 0.000 0.478 97 P HA 0.341 nan 4.420 nan 0.000 0.287 97 P C -0.106 177.267 177.300 0.123 0.000 1.294 97 P CA 0.128 63.218 63.100 -0.017 0.000 0.776 97 P CB 1.447 33.021 31.700 -0.211 0.000 0.889 98 G N 2.828 111.706 108.800 0.130 0.000 2.568 98 G HA2 0.750 4.570 3.960 -0.234 0.000 0.313 98 G HA3 0.750 4.570 3.960 -0.234 0.000 0.313 98 G C -1.507 173.373 174.900 -0.033 0.000 1.227 98 G CA -0.862 44.269 45.100 0.051 0.000 0.979 98 G HN 0.567 nan 8.290 nan 0.000 0.486 99 I N -1.005 119.402 120.570 -0.271 0.000 2.752 99 I HA 0.406 4.436 4.170 -0.234 0.000 0.295 99 I C -0.948 174.999 176.117 -0.283 0.000 1.219 99 I CA -0.785 60.241 61.300 -0.457 0.000 1.030 99 I CB 2.465 39.817 38.000 -1.081 0.000 1.259 99 I HN 0.506 nan 8.210 nan 0.000 0.423 100 Q N 6.915 126.595 119.800 -0.200 0.000 2.290 100 Q HA 0.549 4.749 4.340 -0.234 0.000 0.259 100 Q C -1.812 174.152 176.000 -0.059 0.000 0.941 100 Q CA -0.736 55.009 55.803 -0.096 0.000 0.912 100 Q CB 1.367 30.067 28.738 -0.063 0.000 1.244 100 Q HN 0.630 nan 8.270 nan 0.000 0.441 101 L N 2.768 124.010 121.223 0.032 0.000 2.307 101 L HA 0.848 5.048 4.340 -0.234 0.000 0.282 101 L C -0.310 176.728 176.870 0.280 0.000 1.051 101 L CA -0.651 54.244 54.840 0.092 0.000 0.804 101 L CB 1.481 43.644 42.059 0.174 0.000 1.197 101 L HN 0.719 nan 8.230 nan 0.000 0.431 102 A N 1.988 124.889 122.820 0.134 0.000 2.594 102 A HA 0.747 4.927 4.320 -0.234 0.000 0.291 102 A C -1.663 175.953 177.584 0.055 0.000 1.105 102 A CA -0.450 51.701 52.037 0.190 0.000 0.694 102 A CB 1.949 21.004 19.000 0.092 0.000 1.291 102 A HN 0.762 nan 8.150 nan 0.000 0.410 103 H N 0.498 119.604 119.070 0.061 0.000 3.179 103 H HA 0.545 4.962 4.556 -0.233 0.000 0.331 103 H C 0.207 175.561 175.328 0.044 0.000 1.013 103 H CA 0.169 56.242 56.048 0.042 0.000 1.430 103 H CB 1.814 31.665 29.762 0.149 0.000 1.895 103 H HN 0.855 nan 8.280 nan 0.000 0.468 104 A N 3.659 126.488 122.820 0.015 0.000 2.167 104 A HA 0.242 4.422 4.320 -0.234 0.000 0.214 104 A C 1.740 179.554 177.584 0.382 0.000 1.151 104 A CA 1.150 53.269 52.037 0.137 0.000 0.735 104 A CB -0.555 18.453 19.000 0.012 0.000 0.802 104 A HN 1.171 nan 8.150 nan 0.000 0.467 105 G N 0.953 110.069 108.800 0.528 0.000 2.672 105 G HA2 -0.474 3.346 3.960 -0.234 0.000 0.324 105 G HA3 -0.474 3.346 3.960 -0.234 0.000 0.324 105 G C 1.073 176.124 174.900 0.252 0.000 1.286 105 G CA 1.461 46.802 45.100 0.401 0.000 1.004 105 G HN 1.184 nan 8.290 nan 0.000 0.548 106 R N 0.770 121.364 120.500 0.157 0.000 2.316 106 R HA 0.209 4.409 4.340 -0.234 0.000 0.202 106 R C 1.738 178.077 176.300 0.065 0.000 1.029 106 R CA 1.729 57.894 56.100 0.109 0.000 1.018 106 R CB -0.134 30.212 30.300 0.077 0.000 0.888 106 R HN 0.464 nan 8.270 nan 0.000 0.471 107 K N 0.569 120.984 120.400 0.023 0.000 2.372 107 K HA 0.277 4.457 4.320 -0.234 0.000 0.200 107 K C 0.081 176.732 176.600 0.086 0.000 1.022 107 K CA -0.007 56.242 56.287 -0.063 0.000 1.125 107 K CB 1.129 33.441 32.500 -0.313 0.000 0.855 107 K HN 0.235 nan 8.250 nan 0.000 0.524 108 A N 0.773 123.661 122.820 0.114 0.000 2.386 108 A HA 0.472 4.652 4.320 -0.234 0.000 0.246 108 A C 0.855 178.317 177.584 -0.203 0.000 1.089 108 A CA 0.518 52.595 52.037 0.066 0.000 0.790 108 A CB -0.288 18.839 19.000 0.211 0.000 1.042 108 A HN 0.423 nan 8.150 nan 0.000 0.497 109 G N 0.663 109.052 108.800 -0.685 0.000 2.385 109 G HA2 0.105 3.925 3.960 -0.234 0.000 0.294 109 G HA3 0.105 3.925 3.960 -0.234 0.000 0.294 109 G C 0.104 174.386 174.900 -1.032 0.000 1.070 109 G CA 0.581 44.498 45.100 -1.971 0.000 1.172 109 G HN 2.212 nan 8.290 nan 0.000 0.516 110 T N -2.120 112.066 114.554 -0.613 0.000 2.907 110 T HA 0.900 5.110 4.350 -0.234 0.000 0.292 110 T C 0.478 174.998 174.700 -0.299 0.000 1.043 110 T CA 0.083 61.953 62.100 -0.383 0.000 1.003 110 T CB 2.194 70.942 68.868 -0.199 0.000 1.084 110 T HN 1.866 nan 8.240 nan 0.000 0.483 111 A N 2.153 124.817 122.820 -0.259 0.000 2.466 111 A HA 0.453 4.633 4.320 -0.234 0.000 0.238 111 A C 0.754 178.144 177.584 -0.324 0.000 1.074 111 A CA -0.487 51.414 52.037 -0.228 0.000 0.774 111 A CB -0.275 18.602 19.000 -0.205 0.000 1.015 111 A HN 0.920 nan 8.150 nan 0.000 0.498 112 R N 1.534 121.778 120.500 -0.428 0.000 2.767 112 R HA 0.022 4.221 4.340 -0.234 0.000 0.264 112 R C -1.849 173.927 176.300 -0.875 0.000 0.987 112 R CA -0.251 55.301 56.100 -0.913 0.000 1.114 112 R CB -0.195 29.311 30.300 -1.323 0.000 0.976 112 R HN 0.478 nan 8.270 nan 0.000 0.437 113 P HA -0.092 nan 4.420 nan 0.000 0.225 113 P C 0.183 177.359 177.300 -0.205 0.000 1.156 113 P CA 0.950 63.792 63.100 -0.431 0.000 0.787 113 P CB 0.115 31.646 31.700 -0.282 0.000 0.802 114 W N -0.966 120.211 121.300 -0.205 0.000 3.177 114 W HA 0.347 4.871 4.660 -0.226 0.000 0.309 114 W C 0.700 177.147 176.519 -0.121 0.000 1.224 114 W CA -0.041 57.219 57.345 -0.142 0.000 1.718 114 W CB -0.934 28.440 29.460 -0.144 0.000 1.078 114 W HN -0.124 nan 8.180 nan 0.000 0.618 115 E N 0.621 120.577 120.200 -0.406 0.000 2.444 115 E HA 0.321 4.531 4.350 -0.234 0.000 0.191 115 E C 1.593 178.091 176.600 -0.171 0.000 1.041 115 E CA 0.412 56.672 56.400 -0.235 0.000 0.883 115 E CB 0.269 29.786 29.700 -0.306 0.000 1.024 115 E HN 0.425 nan 8.360 nan 0.000 0.470 116 G N 0.107 108.813 108.800 -0.157 0.000 2.231 116 G HA2 -0.244 3.576 3.960 -0.234 0.000 0.206 116 G HA3 -0.244 3.576 3.960 -0.234 0.000 0.206 116 G C 0.963 175.787 174.900 -0.127 0.000 0.996 116 G CA -0.292 44.743 45.100 -0.108 0.000 0.645 116 G HN 0.613 nan 8.290 nan 0.000 0.498 117 G N -0.147 108.540 108.800 -0.187 0.000 2.179 117 G HA2 -0.268 3.552 3.960 -0.234 0.000 0.257 117 G HA3 -0.268 3.552 3.960 -0.234 0.000 0.257 117 G C 0.308 175.108 174.900 -0.166 0.000 1.010 117 G CA 1.176 46.171 45.100 -0.175 0.000 0.736 117 G HN 0.840 nan 8.290 nan 0.000 0.513 118 K N 0.634 120.923 120.400 -0.185 0.000 2.249 118 K HA 0.382 4.561 4.320 -0.234 0.000 0.280 118 K C -2.190 174.235 176.600 -0.292 0.000 1.033 118 K CA -2.154 54.001 56.287 -0.220 0.000 0.946 118 K CB 0.800 33.198 32.500 -0.170 0.000 1.005 118 K HN 0.028 nan 8.250 nan 0.000 0.469 119 P HA -0.074 nan 4.420 nan 0.000 0.261 119 P C 0.245 177.364 177.300 -0.303 0.000 1.165 119 P CA 0.519 63.366 63.100 -0.421 0.000 0.759 119 P CB 0.359 31.750 31.700 -0.515 0.000 0.772 120 L N 1.888 122.899 121.223 -0.354 0.000 2.731 120 L HA 0.304 4.504 4.340 -0.234 0.000 0.240 120 L C 1.406 178.208 176.870 -0.113 0.000 1.120 120 L CA 0.543 55.228 54.840 -0.258 0.000 0.913 120 L CB -0.087 41.749 42.059 -0.373 0.000 1.213 120 L HN 0.724 nan 8.230 nan 0.000 0.515 121 G N -1.057 107.668 108.800 -0.124 0.000 2.141 121 G HA2 -0.204 3.616 3.960 -0.234 0.000 0.195 121 G HA3 -0.204 3.616 3.960 -0.234 0.000 0.195 121 G C -0.273 174.759 174.900 0.220 0.000 1.012 121 G CA -0.654 44.470 45.100 0.040 0.000 0.696 121 G HN 0.038 nan 8.290 nan 0.000 0.508 122 W N -0.242 121.048 121.300 -0.016 0.000 1.992 122 W HA 0.564 5.084 4.660 -0.235 0.000 0.360 122 W C 1.233 177.751 176.519 -0.002 0.000 1.369 122 W CA -1.248 56.086 57.345 -0.019 0.000 1.403 122 W CB 0.251 29.695 29.460 -0.027 0.000 1.215 122 W HN 0.172 nan 8.180 nan 0.000 0.643 123 R N 2.099 122.738 120.500 0.232 0.000 3.701 123 R HA 0.280 4.480 4.340 -0.234 0.000 0.210 123 R C -0.388 176.001 176.300 0.148 0.000 1.598 123 R CA -0.179 56.000 56.100 0.132 0.000 1.427 123 R CB -0.580 29.752 30.300 0.053 0.000 1.339 123 R HN 0.278 nan 8.270 nan 0.000 0.720 124 V N 1.220 121.243 119.914 0.181 0.000 2.732 124 V HA 0.473 4.453 4.120 -0.234 0.000 0.297 124 V C 0.425 176.612 176.094 0.155 0.000 1.060 124 V CA -0.693 61.725 62.300 0.197 0.000 1.038 124 V CB 1.319 33.263 31.823 0.202 0.000 1.003 124 V HN 0.236 nan 8.190 nan 0.000 0.481 125 V N 1.371 121.394 119.914 0.182 0.000 2.994 125 V HA 1.131 5.111 4.120 -0.234 0.000 0.318 125 V C 0.362 176.541 176.094 0.142 0.000 1.085 125 V CA 0.288 62.671 62.300 0.138 0.000 0.998 125 V CB 1.053 32.950 31.823 0.124 0.000 1.063 125 V HN 1.685 nan 8.190 nan 0.000 0.447 126 G N 0.715 109.571 108.800 0.093 0.000 2.548 126 G HA2 0.603 4.423 3.960 -0.234 0.000 0.301 126 G HA3 0.603 4.423 3.960 -0.234 0.000 0.301 126 G C -2.795 172.028 174.900 -0.128 0.000 1.349 126 G CA -0.095 45.025 45.100 0.032 0.000 0.792 126 G HN 0.492 nan 8.290 nan 0.000 0.481 127 P HA 0.150 nan 4.420 nan 0.000 0.221 127 P C 0.551 177.680 177.300 -0.284 0.000 1.155 127 P CA 0.686 63.355 63.100 -0.718 0.000 0.812 127 P CB 0.535 31.510 31.700 -1.207 0.000 0.801 128 S N -0.127 115.459 115.700 -0.189 0.000 2.546 128 S HA 0.399 4.728 4.470 -0.234 0.000 0.274 128 S C -2.795 171.773 174.600 -0.054 0.000 1.121 128 S CA -1.154 56.985 58.200 -0.102 0.000 0.887 128 S CB 2.166 65.307 63.200 -0.097 0.000 1.094 128 S HN -0.037 nan 8.310 nan 0.000 0.474 129 P HA 0.268 nan 4.420 nan 0.000 0.231 129 P C -1.010 176.288 177.300 -0.003 0.000 1.756 129 P CA 0.249 63.344 63.100 -0.007 0.000 0.990 129 P CB -0.850 30.849 31.700 -0.003 0.000 1.973 130 I N 3.432 123.999 120.570 -0.004 0.000 2.439 130 I HA 0.305 4.335 4.170 -0.234 0.000 0.283 130 I C -2.230 173.900 176.117 0.021 0.000 1.023 130 I CA -3.095 58.204 61.300 -0.001 0.000 1.100 130 I CB 2.534 40.522 38.000 -0.020 0.000 1.238 130 I HN -0.091 nan 8.210 nan 0.000 0.445 131 P HA -0.027 nan 4.420 nan 0.000 0.269 131 P C 0.665 177.994 177.300 0.047 0.000 1.209 131 P CA -0.095 63.054 63.100 0.082 0.000 0.776 131 P CB 0.859 32.620 31.700 0.102 0.000 0.876 132 F N 1.711 121.585 119.950 -0.127 0.000 2.091 132 F HA -0.140 4.248 4.527 -0.233 0.000 0.299 132 F C 0.577 176.209 175.800 -0.280 0.000 1.103 132 F CA 2.114 59.929 58.000 -0.308 0.000 1.228 132 F CB -0.105 38.496 39.000 -0.666 0.000 0.984 132 F HN 0.387 nan 8.300 nan 0.000 0.477 133 D N -2.035 118.168 120.400 -0.328 0.000 2.725 133 D HA 0.123 4.623 4.640 -0.234 0.000 0.292 133 D C -1.699 174.669 176.300 0.114 0.000 1.288 133 D CA -0.644 53.210 54.000 -0.243 0.000 0.784 133 D CB 0.894 41.437 40.800 -0.428 0.000 1.308 133 D HN 0.003 nan 8.370 nan 0.000 0.429 134 E N -0.035 120.205 120.200 0.067 0.000 2.765 134 E HA 0.270 4.480 4.350 -0.234 0.000 0.256 134 E C 1.023 177.720 176.600 0.161 0.000 0.935 134 E CA 1.983 58.437 56.400 0.090 0.000 0.954 134 E CB -0.073 29.651 29.700 0.040 0.000 0.908 134 E HN 0.700 nan 8.360 nan 0.000 0.500 135 G N 2.991 111.853 108.800 0.103 0.000 2.234 135 G HA2 -0.312 3.508 3.960 -0.234 0.000 0.235 135 G HA3 -0.312 3.508 3.960 -0.234 0.000 0.235 135 G C -0.285 174.600 174.900 -0.025 0.000 0.997 135 G CA 0.142 45.252 45.100 0.016 0.000 0.623 135 G HN 0.533 nan 8.290 nan 0.000 0.514 136 Y N 2.915 123.238 120.300 0.039 0.000 2.304 136 Y HA 0.493 4.902 4.550 -0.235 0.000 0.327 136 Y C -1.251 174.674 175.900 0.041 0.000 1.209 136 Y CA -1.438 56.696 58.100 0.055 0.000 1.299 136 Y CB 0.868 39.409 38.460 0.136 0.000 1.249 136 Y HN 0.037 nan 8.280 nan 0.000 0.519 137 P HA 0.016 nan 4.420 nan 0.000 0.272 137 P C -0.773 176.604 177.300 0.129 0.000 1.223 137 P CA -0.206 62.963 63.100 0.114 0.000 0.784 137 P CB 0.889 32.645 31.700 0.094 0.000 0.923 138 V N 5.063 125.030 119.914 0.089 0.000 2.450 138 V HA 0.045 4.025 4.120 -0.234 0.000 0.281 138 V C -1.365 174.771 176.094 0.071 0.000 1.019 138 V CA -0.877 61.466 62.300 0.071 0.000 1.062 138 V CB -0.384 31.467 31.823 0.047 0.000 0.979 138 V HN 0.636 nan 8.190 nan 0.000 0.477 139 P HA 0.057 nan 4.420 nan 0.000 0.268 139 P C -0.315 177.013 177.300 0.046 0.000 1.208 139 P CA -0.159 62.983 63.100 0.069 0.000 0.777 139 P CB 0.852 32.586 31.700 0.056 0.000 0.875 140 E N 2.833 123.063 120.200 0.051 0.000 2.167 140 E HA 0.242 4.452 4.350 -0.234 0.000 0.284 140 E C -2.029 174.583 176.600 0.019 0.000 1.016 140 E CA -2.599 53.820 56.400 0.032 0.000 0.817 140 E CB 0.557 30.280 29.700 0.038 0.000 1.080 140 E HN 0.298 nan 8.360 nan 0.000 0.397 141 P HA 0.056 nan 4.420 nan 0.000 0.276 141 P C -0.441 176.851 177.300 -0.014 0.000 1.230 141 P CA -0.004 63.086 63.100 -0.017 0.000 0.776 141 P CB 0.717 32.401 31.700 -0.026 0.000 0.888 142 L N 3.415 124.636 121.223 -0.003 0.000 2.426 142 L HA 0.139 4.338 4.340 -0.234 0.000 0.271 142 L C 1.285 178.093 176.870 -0.103 0.000 1.169 142 L CA -0.065 54.751 54.840 -0.042 0.000 0.836 142 L CB 0.122 42.159 42.059 -0.037 0.000 1.112 142 L HN 0.483 nan 8.230 nan 0.000 0.465 143 D N 0.826 121.154 120.400 -0.119 0.000 2.478 143 D HA 0.101 4.601 4.640 -0.234 0.000 0.263 143 D C 0.532 176.698 176.300 -0.223 0.000 1.153 143 D CA -0.619 53.298 54.000 -0.138 0.000 1.038 143 D CB 0.756 41.508 40.800 -0.079 0.000 1.120 143 D HN 0.439 nan 8.370 nan 0.000 0.564 144 E N -0.685 119.395 120.200 -0.200 0.000 2.150 144 E HA -0.105 4.105 4.350 -0.234 0.000 0.193 144 E C 1.926 178.413 176.600 -0.189 0.000 0.985 144 E CA 1.232 57.485 56.400 -0.246 0.000 0.814 144 E CB -0.154 29.482 29.700 -0.106 0.000 0.752 144 E HN 0.559 nan 8.360 nan 0.000 0.466 145 A N 0.702 123.450 122.820 -0.119 0.000 1.933 145 A HA -0.094 4.086 4.320 -0.234 0.000 0.218 145 A C 2.349 179.873 177.584 -0.101 0.000 1.175 145 A CA 1.609 53.595 52.037 -0.085 0.000 0.628 145 A CB -0.995 17.973 19.000 -0.053 0.000 0.814 145 A HN 0.381 nan 8.150 nan 0.000 0.444 146 G N -0.548 108.175 108.800 -0.129 0.000 2.421 146 G HA2 -0.219 3.601 3.960 -0.234 0.000 0.216 146 G HA3 -0.219 3.601 3.960 -0.234 0.000 0.216 146 G C 1.652 176.449 174.900 -0.172 0.000 1.171 146 G CA 1.186 46.214 45.100 -0.120 0.000 0.775 146 G HN 0.466 nan 8.290 nan 0.000 0.543 147 M N 0.087 119.473 119.600 -0.357 0.000 2.132 147 M HA -0.013 4.327 4.480 -0.234 0.000 0.263 147 M C 2.435 178.598 176.300 -0.229 0.000 1.065 147 M CA 1.689 56.610 55.300 -0.631 0.000 1.122 147 M CB -0.222 31.608 32.600 -1.284 0.000 1.365 147 M HN 0.291 nan 8.290 nan 0.000 0.411 148 E N 0.918 121.027 120.200 -0.152 0.000 2.110 148 E HA -0.206 4.004 4.350 -0.234 0.000 0.193 148 E C 1.943 178.563 176.600 0.034 0.000 0.988 148 E CA 1.464 57.854 56.400 -0.017 0.000 0.804 148 E CB -0.208 29.479 29.700 -0.022 0.000 0.745 148 E HN 0.300 nan 8.360 nan 0.000 0.458 149 R N 0.045 120.549 120.500 0.007 0.000 2.081 149 R HA -0.098 4.102 4.340 -0.234 0.000 0.235 149 R C 2.282 178.636 176.300 0.089 0.000 1.131 149 R CA 1.740 57.861 56.100 0.035 0.000 0.960 149 R CB -0.319 29.986 30.300 0.009 0.000 0.856 149 R HN 0.329 nan 8.270 nan 0.000 0.436 150 I N 0.791 121.438 120.570 0.129 0.000 2.500 150 I HA -0.225 3.805 4.170 -0.234 0.000 0.252 150 I C 2.404 178.742 176.117 0.368 0.000 1.142 150 I CA 0.489 61.923 61.300 0.223 0.000 1.451 150 I CB -0.086 38.054 38.000 0.234 0.000 1.093 150 I HN 0.271 nan 8.210 nan 0.000 0.430 151 L N 0.343 121.780 121.223 0.356 0.000 2.046 151 L HA -0.249 3.951 4.340 -0.234 0.000 0.208 151 L C 2.610 179.630 176.870 0.249 0.000 1.077 151 L CA 1.614 56.647 54.840 0.321 0.000 0.747 151 L CB -0.309 41.904 42.059 0.257 0.000 0.896 151 L HN 0.232 nan 8.230 nan 0.000 0.432 152 Q N 0.037 119.940 119.800 0.171 0.000 2.119 152 Q HA -0.104 4.096 4.340 -0.234 0.000 0.201 152 Q C 2.346 178.417 176.000 0.117 0.000 0.972 152 Q CA 1.488 57.364 55.803 0.122 0.000 0.847 152 Q CB -0.394 28.393 28.738 0.082 0.000 0.903 152 Q HN 0.718 nan 8.270 nan 0.000 0.433 153 A N -0.034 122.853 122.820 0.112 0.000 1.972 153 A HA -0.138 4.042 4.320 -0.234 0.000 0.219 153 A C 1.851 179.439 177.584 0.006 0.000 1.169 153 A CA 0.925 52.993 52.037 0.052 0.000 0.635 153 A CB -0.645 18.366 19.000 0.019 0.000 0.810 153 A HN 0.232 nan 8.150 nan 0.000 0.446 154 F N -0.443 119.548 119.950 0.068 0.000 2.113 154 F HA -0.118 4.269 4.527 -0.235 0.000 0.297 154 F C 2.477 178.291 175.800 0.024 0.000 1.103 154 F CA 1.580 59.603 58.000 0.039 0.000 1.248 154 F CB -0.473 38.535 39.000 0.013 0.000 0.999 154 F HN 0.026 nan 8.300 nan 0.000 0.475 155 V N -0.387 119.657 119.914 0.216 0.000 2.343 155 V HA -0.276 3.704 4.120 -0.234 0.000 0.247 155 V C 2.281 178.427 176.094 0.086 0.000 1.051 155 V CA 2.101 64.475 62.300 0.124 0.000 1.036 155 V CB -0.439 31.442 31.823 0.096 0.000 0.654 155 V HN 0.199 nan 8.190 nan 0.000 0.451 156 E N 0.478 120.725 120.200 0.079 0.000 2.107 156 E HA -0.047 4.163 4.350 -0.234 0.000 0.191 156 E C 2.228 178.852 176.600 0.041 0.000 0.982 156 E CA 1.167 57.600 56.400 0.055 0.000 0.809 156 E CB -0.750 28.984 29.700 0.057 0.000 0.756 156 E HN 0.485 nan 8.360 nan 0.000 0.459 157 G N 0.512 109.331 108.800 0.031 0.000 2.476 157 G HA2 -0.304 3.516 3.960 -0.234 0.000 0.218 157 G HA3 -0.304 3.516 3.960 -0.234 0.000 0.218 157 G C 1.692 176.591 174.900 -0.001 0.000 1.164 157 G CA 1.306 46.402 45.100 -0.006 0.000 0.768 157 G HN 0.431 nan 8.290 nan 0.000 0.560 158 A N 0.607 123.447 122.820 0.034 0.000 1.877 158 A HA -0.011 4.169 4.320 -0.234 0.000 0.216 158 A C 2.440 180.039 177.584 0.025 0.000 1.186 158 A CA 1.690 53.744 52.037 0.027 0.000 0.620 158 A CB -0.434 18.596 19.000 0.050 0.000 0.822 158 A HN 0.354 nan 8.150 nan 0.000 0.443 159 R N -1.118 119.401 120.500 0.032 0.000 2.083 159 R HA -0.149 4.051 4.340 -0.234 0.000 0.237 159 R C 2.553 178.871 176.300 0.031 0.000 1.137 159 R CA 1.763 57.881 56.100 0.030 0.000 0.951 159 R CB -0.294 30.024 30.300 0.030 0.000 0.851 159 R HN 0.551 nan 8.270 nan 0.000 0.434 160 R N 0.306 120.822 120.500 0.027 0.000 2.081 160 R HA -0.101 4.098 4.340 -0.234 0.000 0.235 160 R C 2.231 178.565 176.300 0.056 0.000 1.131 160 R CA 1.446 57.564 56.100 0.031 0.000 0.960 160 R CB -0.238 30.073 30.300 0.018 0.000 0.856 160 R HN 0.228 nan 8.270 nan 0.000 0.436 161 A N 0.900 123.743 122.820 0.039 0.000 1.908 161 A HA -0.171 4.009 4.320 -0.234 0.000 0.218 161 A C 2.153 179.857 177.584 0.200 0.000 1.181 161 A CA 1.344 53.440 52.037 0.098 0.000 0.627 161 A CB -0.598 18.355 19.000 -0.078 0.000 0.818 161 A HN 0.334 nan 8.150 nan 0.000 0.445 162 L N -1.280 120.002 121.223 0.098 0.000 2.056 162 L HA -0.164 4.036 4.340 -0.234 0.000 0.207 162 L C 2.840 179.743 176.870 0.055 0.000 1.078 162 L CA 1.315 56.200 54.840 0.075 0.000 0.749 162 L CB -0.470 41.612 42.059 0.039 0.000 0.901 162 L HN 0.352 nan 8.230 nan 0.000 0.433 163 R N -0.069 120.459 120.500 0.048 0.000 2.152 163 R HA -0.100 4.100 4.340 -0.234 0.000 0.232 163 R C 2.109 178.423 176.300 0.023 0.000 1.117 163 R CA 1.187 57.303 56.100 0.027 0.000 0.981 163 R CB -0.303 30.011 30.300 0.024 0.000 0.870 163 R HN 0.329 nan 8.270 nan 0.000 0.451 164 A N -0.201 122.657 122.820 0.064 0.000 2.208 164 A HA 0.192 4.372 4.320 -0.234 0.000 0.209 164 A C 1.390 178.908 177.584 -0.111 0.000 1.161 164 A CA 0.907 52.964 52.037 0.033 0.000 0.782 164 A CB 0.116 19.222 19.000 0.177 0.000 0.816 164 A HN 0.442 nan 8.150 nan 0.000 0.477 165 G N -2.087 106.667 108.800 -0.078 0.000 2.159 165 G HA2 -0.211 3.609 3.960 -0.234 0.000 0.227 165 G HA3 -0.211 3.609 3.960 -0.234 0.000 0.227 165 G C -0.017 174.734 174.900 -0.249 0.000 0.986 165 G CA -0.106 44.894 45.100 -0.166 0.000 0.651 165 G HN 0.282 nan 8.290 nan 0.000 0.523 166 F N 0.683 120.592 119.950 -0.069 0.000 2.506 166 F HA 0.471 4.855 4.527 -0.238 0.000 0.351 166 F C 1.720 177.470 175.800 -0.084 0.000 1.136 166 F CA 0.739 58.686 58.000 -0.088 0.000 1.298 166 F CB 0.840 39.779 39.000 -0.102 0.000 1.145 166 F HN 0.089 nan 8.300 nan 0.000 0.593 167 Q N 0.653 120.497 119.800 0.073 0.000 2.164 167 Q HA 0.304 4.504 4.340 -0.234 0.000 0.226 167 Q C -1.113 174.860 176.000 -0.046 0.000 0.813 167 Q CA 0.029 55.833 55.803 0.000 0.000 0.978 167 Q CB 1.432 30.154 28.738 -0.027 0.000 1.149 167 Q HN 0.367 nan 8.270 nan 0.000 0.489 168 V N 1.489 121.357 119.914 -0.078 0.000 2.686 168 V HA 0.367 4.347 4.120 -0.234 0.000 0.306 168 V C -1.109 174.847 176.094 -0.230 0.000 1.065 168 V CA -0.806 61.348 62.300 -0.244 0.000 0.894 168 V CB 2.185 33.731 31.823 -0.462 0.000 1.004 168 V HN 0.096 nan 8.190 nan 0.000 0.424 169 I N 3.633 124.071 120.570 -0.220 0.000 2.404 169 I HA 0.535 4.565 4.170 -0.234 0.000 0.293 169 I C 0.029 176.049 176.117 -0.161 0.000 0.992 169 I CA -0.688 60.516 61.300 -0.161 0.000 1.149 169 I CB 1.696 39.653 38.000 -0.071 0.000 1.315 169 I HN 0.785 nan 8.210 nan 0.000 0.446 170 E N 6.429 126.560 120.200 -0.116 0.000 2.199 170 E HA 0.588 4.798 4.350 -0.234 0.000 0.269 170 E C -1.585 175.037 176.600 0.036 0.000 0.899 170 E CA -0.657 55.747 56.400 0.007 0.000 0.772 170 E CB 1.702 31.426 29.700 0.040 0.000 1.155 170 E HN 0.486 nan 8.360 nan 0.000 0.408 171 L N 3.901 125.160 121.223 0.059 0.000 2.275 171 L HA 0.249 4.449 4.340 -0.234 0.000 0.288 171 L C 0.071 177.003 176.870 0.103 0.000 1.046 171 L CA -0.935 53.947 54.840 0.069 0.000 0.805 171 L CB 0.922 42.951 42.059 -0.049 0.000 1.193 171 L HN 0.559 nan 8.230 nan 0.000 0.426 172 H N 5.901 125.010 119.070 0.066 0.000 3.157 172 H HA 0.219 4.635 4.556 -0.233 0.000 0.260 172 H C -0.173 175.165 175.328 0.017 0.000 1.232 172 H CA 0.013 56.089 56.048 0.047 0.000 1.488 172 H CB 0.527 30.333 29.762 0.073 0.000 1.548 172 H HN 0.517 nan 8.280 nan 0.000 0.487 173 M N 4.120 123.856 119.600 0.227 0.000 2.959 173 M HA 0.407 4.747 4.480 -0.234 0.000 0.337 173 M C 0.025 176.336 176.300 0.019 0.000 1.220 173 M CA -0.351 54.987 55.300 0.063 0.000 0.893 173 M CB 0.637 33.233 32.600 -0.005 0.000 1.322 173 M HN 0.388 nan 8.290 nan 0.000 0.519 174 A N -0.902 122.013 122.820 0.159 0.000 2.387 174 A HA 0.745 4.925 4.320 -0.234 0.000 0.298 174 A C 0.038 177.673 177.584 0.086 0.000 1.165 174 A CA -0.433 51.589 52.037 -0.025 0.000 0.814 174 A CB 0.484 19.268 19.000 -0.361 0.000 1.357 174 A HN 0.773 nan 8.150 nan 0.000 0.443 175 H N -0.941 118.186 119.070 0.094 0.000 3.022 175 H HA -0.196 4.219 4.556 -0.235 0.000 0.258 175 H C 1.209 176.311 175.328 -0.376 0.000 1.212 175 H CA 1.031 57.075 56.048 -0.007 0.000 1.126 175 H CB -1.351 28.545 29.762 0.224 0.000 1.267 175 H HN 2.310 nan 8.280 nan 0.000 0.345 176 G N -1.328 107.373 108.800 -0.165 0.000 2.159 176 G HA2 -0.380 3.440 3.960 -0.234 0.000 0.256 176 G HA3 -0.380 3.440 3.960 -0.234 0.000 0.256 176 G C 0.147 174.833 174.900 -0.356 0.000 0.977 176 G CA 0.609 45.571 45.100 -0.230 0.000 0.652 176 G HN 0.479 nan 8.290 nan 0.000 0.531 177 Y N -1.006 119.246 120.300 -0.081 0.000 2.219 177 Y HA 0.501 4.911 4.550 -0.234 0.000 0.375 177 Y C 1.928 177.824 175.900 -0.007 0.000 1.333 177 Y CA -0.316 57.730 58.100 -0.091 0.000 1.799 177 Y CB -0.446 37.869 38.460 -0.242 0.000 1.611 177 Y HN 0.075 nan 8.280 nan 0.000 0.635 178 L N 0.298 121.688 121.223 0.278 0.000 1.944 178 L HA -0.243 3.957 4.340 -0.234 0.000 0.218 178 L C 1.969 178.982 176.870 0.238 0.000 1.075 178 L CA 1.812 56.812 54.840 0.267 0.000 0.767 178 L CB -1.137 41.074 42.059 0.252 0.000 0.890 178 L HN 0.671 nan 8.230 nan 0.000 0.434 179 L N -1.229 120.033 121.223 0.066 0.000 2.046 179 L HA -0.226 3.974 4.340 -0.234 0.000 0.208 179 L C 2.720 179.552 176.870 -0.064 0.000 1.077 179 L CA 1.514 56.300 54.840 -0.090 0.000 0.747 179 L CB -0.924 40.972 42.059 -0.273 0.000 0.896 179 L HN 0.467 nan 8.230 nan 0.000 0.432 180 S N 0.178 115.827 115.700 -0.086 0.000 2.365 180 S HA -0.250 4.080 4.470 -0.234 0.000 0.225 180 S C 2.247 176.756 174.600 -0.151 0.000 1.039 180 S CA 2.073 60.162 58.200 -0.185 0.000 1.033 180 S CB -0.296 62.831 63.200 -0.121 0.000 0.887 180 S HN 0.628 nan 8.310 nan 0.000 0.447 181 S N -0.359 115.322 115.700 -0.031 0.000 2.447 181 S HA 0.007 4.337 4.470 -0.234 0.000 0.233 181 S C 1.584 176.145 174.600 -0.065 0.000 1.006 181 S CA 0.843 59.017 58.200 -0.044 0.000 0.957 181 S CB -0.846 62.340 63.200 -0.024 0.000 0.773 181 S HN 0.562 nan 8.310 nan 0.000 0.507 182 F N 1.551 121.465 119.950 -0.061 0.000 2.206 182 F HA 0.219 4.605 4.527 -0.234 0.000 0.298 182 F C 2.165 177.917 175.800 -0.080 0.000 1.090 182 F CA 0.820 58.816 58.000 -0.008 0.000 1.323 182 F CB -0.280 38.770 39.000 0.084 0.000 1.028 182 F HN 0.160 nan 8.300 nan 0.000 0.492 183 L N -1.059 120.101 121.223 -0.106 0.000 1.994 183 L HA -0.155 4.045 4.340 -0.234 0.000 0.208 183 L C 1.507 178.322 176.870 -0.091 0.000 1.071 183 L CA 0.746 55.363 54.840 -0.371 0.000 0.745 183 L CB -0.843 40.471 42.059 -1.242 0.000 0.892 183 L HN -0.037 nan 8.230 nan 0.000 0.431 184 S N 0.652 116.276 115.700 -0.126 0.000 2.549 184 S HA 0.111 4.441 4.470 -0.234 0.000 0.283 184 S C -1.506 173.134 174.600 0.067 0.000 1.320 184 S CA -1.304 56.930 58.200 0.057 0.000 1.058 184 S CB 0.799 63.996 63.200 -0.005 0.000 0.882 184 S HN 0.002 nan 8.310 nan 0.000 0.498 185 P HA 0.080 nan 4.420 nan 0.000 0.249 185 P C 1.138 178.451 177.300 0.021 0.000 1.229 185 P CA 0.361 63.492 63.100 0.052 0.000 0.788 185 P CB 0.019 31.752 31.700 0.056 0.000 1.072 186 L N -0.070 121.166 121.223 0.022 0.000 2.217 186 L HA -0.071 4.129 4.340 -0.234 0.000 0.211 186 L C 2.265 179.124 176.870 -0.018 0.000 1.107 186 L CA 1.838 56.680 54.840 0.003 0.000 0.783 186 L CB -0.823 41.242 42.059 0.011 0.000 0.919 186 L HN 0.112 nan 8.230 nan 0.000 0.442 187 S N -2.333 113.351 115.700 -0.027 0.000 2.506 187 S HA 0.065 4.395 4.470 -0.234 0.000 0.219 187 S C 0.796 175.341 174.600 -0.093 0.000 1.031 187 S CA -0.370 57.799 58.200 -0.051 0.000 0.911 187 S CB -0.068 63.106 63.200 -0.045 0.000 0.812 187 S HN 0.276 nan 8.310 nan 0.000 0.497 188 N N 2.147 120.791 118.700 -0.093 0.000 2.546 188 N HA 0.264 4.864 4.740 -0.234 0.000 0.238 188 N C -0.445 175.032 175.510 -0.055 0.000 0.984 188 N CA -0.164 52.809 53.050 -0.129 0.000 0.935 188 N CB 0.828 39.226 38.487 -0.150 0.000 1.122 188 N HN 0.114 nan 8.380 nan 0.000 0.510 189 Q N 2.215 121.983 119.800 -0.053 0.000 2.186 189 Q HA 0.208 4.407 4.340 -0.234 0.000 0.241 189 Q C -0.248 175.745 176.000 -0.011 0.000 0.849 189 Q CA -0.206 55.584 55.803 -0.022 0.000 1.053 189 Q CB 0.562 29.287 28.738 -0.021 0.000 1.146 189 Q HN 0.477 nan 8.270 nan 0.000 0.475 190 R N 0.486 120.981 120.500 -0.009 0.000 2.643 190 R HA 0.068 4.267 4.340 -0.234 0.000 0.270 190 R C 1.315 177.639 176.300 0.041 0.000 1.061 190 R CA 0.684 56.797 56.100 0.021 0.000 1.107 190 R CB 0.332 30.666 30.300 0.056 0.000 0.999 190 R HN 0.080 nan 8.270 nan 0.000 0.460 191 T N -3.374 111.205 114.554 0.042 0.000 3.044 191 T HA 0.013 4.223 4.350 -0.234 0.000 0.260 191 T C 0.359 175.089 174.700 0.049 0.000 1.019 191 T CA -0.416 61.706 62.100 0.038 0.000 0.921 191 T CB -0.120 68.762 68.868 0.024 0.000 1.053 191 T HN 0.645 nan 8.240 nan 0.000 0.533 192 D N 1.953 122.400 120.400 0.078 0.000 2.453 192 D HA 0.435 4.935 4.640 -0.234 0.000 0.282 192 D C 1.493 177.846 176.300 0.089 0.000 1.222 192 D CA -0.383 53.673 54.000 0.094 0.000 1.079 192 D CB 0.012 40.898 40.800 0.144 0.000 1.128 192 D HN 0.072 nan 8.370 nan 0.000 0.568 193 A N -1.638 121.221 122.820 0.065 0.000 2.239 193 A HA -0.012 4.168 4.320 -0.234 0.000 0.209 193 A C 0.622 178.051 177.584 -0.258 0.000 1.171 193 A CA 0.403 52.374 52.037 -0.110 0.000 0.768 193 A CB -1.013 17.860 19.000 -0.212 0.000 0.790 193 A HN 0.504 nan 8.150 nan 0.000 0.478 194 Y N -1.293 119.064 120.300 0.095 0.000 2.612 194 Y HA 0.439 4.849 4.550 -0.234 0.000 0.250 194 Y C 1.220 177.226 175.900 0.176 0.000 1.175 194 Y CA 0.017 58.219 58.100 0.171 0.000 1.205 194 Y CB 0.617 39.224 38.460 0.245 0.000 1.201 194 Y HN 0.303 nan 8.280 nan 0.000 0.532 195 G N -1.750 107.165 108.800 0.191 0.000 2.727 195 G HA2 0.537 4.356 3.960 -0.234 0.000 0.289 195 G HA3 0.537 4.356 3.960 -0.234 0.000 0.289 195 G C 0.203 175.148 174.900 0.076 0.000 1.418 195 G CA -0.193 44.981 45.100 0.124 0.000 0.818 195 G HN 0.357 nan 8.290 nan 0.000 0.486 196 G N -0.179 108.656 108.800 0.058 0.000 2.972 196 G HA2 0.008 3.828 3.960 -0.234 0.000 0.265 196 G HA3 0.008 3.828 3.960 -0.234 0.000 0.265 196 G C 1.088 176.012 174.900 0.040 0.000 1.506 196 G CA 0.885 46.008 45.100 0.039 0.000 1.016 196 G HN 2.363 nan 8.290 nan 0.000 0.563 197 S N 1.228 116.947 115.700 0.031 0.000 2.576 197 S HA 0.429 4.759 4.470 -0.234 0.000 0.272 197 S C 1.573 176.202 174.600 0.049 0.000 1.352 197 S CA 0.539 58.755 58.200 0.026 0.000 1.021 197 S CB 1.481 64.689 63.200 0.014 0.000 0.887 197 S HN 1.828 nan 8.310 nan 0.000 0.542 198 L N 1.322 122.568 121.223 0.038 0.000 1.990 198 L HA -0.074 4.125 4.340 -0.234 0.000 0.213 198 L C 2.369 179.305 176.870 0.109 0.000 1.072 198 L CA 2.170 57.051 54.840 0.067 0.000 0.755 198 L CB -1.499 40.560 42.059 -0.000 0.000 0.889 198 L HN 0.859 nan 8.230 nan 0.000 0.432 199 E N -0.094 120.149 120.200 0.072 0.000 2.097 199 E HA -0.213 3.997 4.350 -0.234 0.000 0.196 199 E C 2.047 178.686 176.600 0.065 0.000 1.000 199 E CA 1.483 57.926 56.400 0.071 0.000 0.804 199 E CB -0.374 29.347 29.700 0.035 0.000 0.740 199 E HN 0.511 nan 8.360 nan 0.000 0.454 200 N N 0.122 118.848 118.700 0.045 0.000 2.120 200 N HA -0.102 4.498 4.740 -0.234 0.000 0.188 200 N C 1.552 177.134 175.510 0.119 0.000 1.024 200 N CA 1.066 54.129 53.050 0.023 0.000 0.852 200 N CB -0.092 38.408 38.487 0.021 0.000 1.003 200 N HN 0.112 nan 8.380 nan 0.000 0.424 201 R N -0.076 120.521 120.500 0.161 0.000 2.115 201 R HA 0.111 4.311 4.340 -0.234 0.000 0.230 201 R C 1.859 178.286 176.300 0.212 0.000 1.111 201 R CA 0.865 57.100 56.100 0.225 0.000 0.976 201 R CB -0.147 30.280 30.300 0.211 0.000 0.870 201 R HN 0.296 nan 8.270 nan 0.000 0.445 202 M N 0.014 119.732 119.600 0.196 0.000 2.562 202 M HA -0.031 4.309 4.480 -0.234 0.000 0.257 202 M C 2.227 178.645 176.300 0.197 0.000 1.099 202 M CA 0.910 56.334 55.300 0.207 0.000 1.099 202 M CB -0.125 32.667 32.600 0.320 0.000 1.427 202 M HN 0.096 nan 8.290 nan 0.000 0.489 203 R N 0.699 121.303 120.500 0.173 0.000 2.062 203 R HA -0.166 4.034 4.340 -0.234 0.000 0.231 203 R C 2.152 178.582 176.300 0.218 0.000 1.136 203 R CA 1.636 57.817 56.100 0.136 0.000 0.948 203 R CB -0.371 29.929 30.300 -0.000 0.000 0.845 203 R HN 0.291 nan 8.270 nan 0.000 0.430 204 F N 2.022 122.025 119.950 0.090 0.000 2.113 204 F HA 0.044 4.432 4.527 -0.233 0.000 0.297 204 F C -1.210 174.508 175.800 -0.136 0.000 1.103 204 F CA 0.439 58.399 58.000 -0.067 0.000 1.248 204 F CB -1.233 37.532 39.000 -0.390 0.000 0.999 204 F HN 0.033 nan 8.300 nan 0.000 0.475 205 P HA -0.163 nan 4.420 nan 0.000 0.215 205 P C 2.251 179.484 177.300 -0.111 0.000 1.153 205 P CA 1.755 64.680 63.100 -0.291 0.000 0.853 205 P CB -0.144 31.503 31.700 -0.089 0.000 0.788 206 L N -1.047 120.203 121.223 0.046 0.000 2.141 206 L HA -0.178 4.022 4.340 -0.234 0.000 0.209 206 L C 2.546 179.401 176.870 -0.025 0.000 1.094 206 L CA 1.398 56.247 54.840 0.015 0.000 0.763 206 L CB -0.744 41.358 42.059 0.072 0.000 0.908 206 L HN 0.055 nan 8.230 nan 0.000 0.437 207 Q N -0.766 119.038 119.800 0.006 0.000 2.079 207 Q HA -0.154 4.046 4.340 -0.234 0.000 0.200 207 Q C 2.358 178.342 176.000 -0.028 0.000 0.974 207 Q CA 1.275 57.094 55.803 0.028 0.000 0.840 207 Q CB -0.093 28.722 28.738 0.128 0.000 0.898 207 Q HN 0.344 nan 8.270 nan 0.000 0.430 208 V N 1.110 120.945 119.914 -0.132 0.000 2.343 208 V HA -0.288 3.692 4.120 -0.234 0.000 0.247 208 V C 2.287 178.267 176.094 -0.190 0.000 1.051 208 V CA 1.864 64.028 62.300 -0.228 0.000 1.036 208 V CB -0.976 30.515 31.823 -0.554 0.000 0.654 208 V HN 0.392 nan 8.190 nan 0.000 0.451 209 A N -0.776 121.935 122.820 -0.181 0.000 1.902 209 A HA -0.310 3.870 4.320 -0.234 0.000 0.217 209 A C 2.255 179.789 177.584 -0.082 0.000 1.181 209 A CA 2.187 54.142 52.037 -0.137 0.000 0.623 209 A CB -0.512 18.396 19.000 -0.153 0.000 0.818 209 A HN 0.623 nan 8.150 nan 0.000 0.443 210 Q N -0.522 119.240 119.800 -0.063 0.000 1.993 210 Q HA -0.116 4.084 4.340 -0.234 0.000 0.202 210 Q C 2.241 178.231 176.000 -0.016 0.000 0.984 210 Q CA 1.752 57.535 55.803 -0.033 0.000 0.837 210 Q CB -0.402 28.325 28.738 -0.018 0.000 0.902 210 Q HN 0.561 nan 8.270 nan 0.000 0.423 211 A N -0.023 122.793 122.820 -0.007 0.000 1.948 211 A HA -0.170 4.009 4.320 -0.234 0.000 0.220 211 A C 2.182 179.776 177.584 0.018 0.000 1.177 211 A CA 1.802 53.847 52.037 0.015 0.000 0.636 211 A CB -0.736 18.285 19.000 0.035 0.000 0.815 211 A HN 0.347 nan 8.150 nan 0.000 0.449 212 V N -0.362 119.555 119.914 0.005 0.000 2.488 212 V HA -0.157 3.823 4.120 -0.234 0.000 0.246 212 V C 2.555 178.653 176.094 0.007 0.000 1.046 212 V CA 2.007 64.318 62.300 0.018 0.000 1.053 212 V CB -0.756 31.077 31.823 0.016 0.000 0.679 212 V HN 0.653 nan 8.190 nan 0.000 0.458 213 R N 1.197 121.692 120.500 -0.008 0.000 2.139 213 R HA -0.199 4.001 4.340 -0.234 0.000 0.243 213 R C 1.978 178.278 176.300 0.001 0.000 1.145 213 R CA 1.835 57.931 56.100 -0.007 0.000 0.976 213 R CB -0.443 29.846 30.300 -0.018 0.000 0.866 213 R HN 0.650 nan 8.270 nan 0.000 0.449 214 E N -0.491 119.712 120.200 0.005 0.000 2.208 214 E HA -0.087 4.123 4.350 -0.234 0.000 0.193 214 E C 1.478 178.086 176.600 0.013 0.000 0.988 214 E CA 1.382 57.787 56.400 0.009 0.000 0.828 214 E CB 0.164 29.870 29.700 0.011 0.000 0.763 214 E HN 0.432 nan 8.360 nan 0.000 0.478 215 V N -1.893 118.031 119.914 0.017 0.000 3.621 215 V HA 0.163 4.143 4.120 -0.234 0.000 0.285 215 V C 0.645 176.749 176.094 0.016 0.000 1.346 215 V CA -0.298 62.013 62.300 0.019 0.000 1.104 215 V CB 0.413 32.252 31.823 0.027 0.000 0.913 215 V HN -0.158 nan 8.190 nan 0.000 0.432 216 V N 3.985 123.907 119.914 0.013 0.000 2.328 216 V HA 0.452 4.432 4.120 -0.234 0.000 0.278 216 V C -2.129 173.970 176.094 0.008 0.000 1.021 216 V CA -1.730 60.577 62.300 0.010 0.000 0.838 216 V CB 1.239 33.067 31.823 0.008 0.000 0.999 216 V HN 0.313 nan 8.190 nan 0.000 0.447 217 P HA 0.074 nan 4.420 nan 0.000 0.268 217 P C 0.764 178.068 177.300 0.007 0.000 1.208 217 P CA -0.248 62.855 63.100 0.006 0.000 0.777 217 P CB 0.582 32.285 31.700 0.005 0.000 0.875 218 R N 1.677 122.181 120.500 0.007 0.000 2.127 218 R HA -0.190 4.010 4.340 -0.234 0.000 0.238 218 R C 1.204 177.511 176.300 0.011 0.000 1.134 218 R CA 1.599 57.704 56.100 0.009 0.000 0.975 218 R CB -0.854 29.450 30.300 0.006 0.000 0.865 218 R HN 0.238 nan 8.270 nan 0.000 0.447 219 E N 1.001 121.206 120.200 0.008 0.000 2.219 219 E HA -0.046 4.164 4.350 -0.234 0.000 0.198 219 E C 0.089 176.694 176.600 0.009 0.000 0.998 219 E CA 0.970 57.375 56.400 0.008 0.000 0.818 219 E CB -0.032 29.670 29.700 0.003 0.000 0.741 219 E HN 0.383 nan 8.360 nan 0.000 0.477 220 L N 1.290 122.518 121.223 0.008 0.000 2.296 220 L HA 0.383 4.583 4.340 -0.234 0.000 0.286 220 L C -2.371 174.505 176.870 0.009 0.000 1.023 220 L CA -2.474 52.367 54.840 0.001 0.000 0.812 220 L CB 1.481 43.536 42.059 -0.006 0.000 1.223 220 L HN -0.246 nan 8.230 nan 0.000 0.421 221 P HA 0.104 nan 4.420 nan 0.000 0.276 221 P C -0.835 176.489 177.300 0.041 0.000 1.235 221 P CA -0.362 62.786 63.100 0.080 0.000 0.772 221 P CB 0.821 32.617 31.700 0.161 0.000 0.871 222 L N 5.533 126.824 121.223 0.113 0.000 2.265 222 L HA 0.475 4.675 4.340 -0.234 0.000 0.289 222 L C -1.099 175.957 176.870 0.310 0.000 1.033 222 L CA -0.256 54.650 54.840 0.111 0.000 0.814 222 L CB -0.603 41.488 42.059 0.053 0.000 1.203 222 L HN 0.124 nan 8.230 nan 0.000 0.423 223 F N 4.399 124.331 119.950 -0.031 0.000 2.399 223 F HA 0.615 5.001 4.527 -0.235 0.000 0.328 223 F C 0.215 175.988 175.800 -0.045 0.000 1.084 223 F CA -1.124 56.855 58.000 -0.035 0.000 1.053 223 F CB 1.786 40.770 39.000 -0.027 0.000 1.209 223 F HN 0.065 nan 8.300 nan 0.000 0.502 224 V N 2.805 122.788 119.914 0.115 0.000 2.588 224 V HA 0.462 4.442 4.120 -0.234 0.000 0.304 224 V C -0.297 175.827 176.094 0.049 0.000 1.042 224 V CA -1.008 61.323 62.300 0.052 0.000 0.877 224 V CB 2.120 33.929 31.823 -0.023 0.000 0.996 224 V HN 0.686 nan 8.190 nan 0.000 0.425 225 R N 3.225 123.751 120.500 0.043 0.000 2.407 225 R HA 0.829 5.029 4.340 -0.234 0.000 0.303 225 R C -1.637 174.677 176.300 0.022 0.000 0.981 225 R CA -0.289 55.814 56.100 0.005 0.000 0.905 225 R CB 1.885 32.132 30.300 -0.088 0.000 1.099 225 R HN 0.524 nan 8.270 nan 0.000 0.459 226 V N 2.752 122.677 119.914 0.019 0.000 2.876 226 V HA 0.309 4.289 4.120 -0.234 0.000 0.312 226 V C -0.761 175.305 176.094 -0.046 0.000 1.085 226 V CA -0.589 61.705 62.300 -0.010 0.000 0.945 226 V CB 2.645 34.523 31.823 0.092 0.000 1.017 226 V HN 0.915 nan 8.190 nan 0.000 0.428 227 S N 4.581 120.214 115.700 -0.112 0.000 2.437 227 S HA 0.263 4.593 4.470 -0.234 0.000 0.304 227 S C 1.251 175.789 174.600 -0.102 0.000 1.167 227 S CA 0.293 58.462 58.200 -0.052 0.000 1.106 227 S CB 0.901 64.094 63.200 -0.013 0.000 1.099 227 S HN 1.080 nan 8.310 nan 0.000 0.524 228 A N 3.486 126.246 122.820 -0.099 0.000 2.125 228 A HA 0.066 4.246 4.320 -0.234 0.000 0.219 228 A C 1.341 178.679 177.584 -0.409 0.000 1.156 228 A CA 1.206 53.122 52.037 -0.201 0.000 0.671 228 A CB -0.018 18.800 19.000 -0.304 0.000 0.794 228 A HN 0.633 nan 8.150 nan 0.000 0.459 229 T N -2.064 112.175 114.554 -0.525 0.000 2.853 229 T HA 0.414 4.624 4.350 -0.234 0.000 0.311 229 T C -0.784 173.682 174.700 -0.390 0.000 1.307 229 T CA 0.124 61.920 62.100 -0.506 0.000 1.019 229 T CB 1.550 69.802 68.868 -1.026 0.000 1.264 229 T HN 0.212 nan 8.240 nan 0.000 0.497 230 D N 0.310 120.603 120.400 -0.179 0.000 2.369 230 D HA 0.140 4.640 4.640 -0.234 0.000 0.211 230 D C 0.693 177.074 176.300 0.136 0.000 1.077 230 D CA -0.044 53.949 54.000 -0.012 0.000 0.842 230 D CB -0.342 40.497 40.800 0.065 0.000 0.947 230 D HN 0.816 nan 8.370 nan 0.000 0.509 231 W N -0.482 120.869 121.300 0.085 0.000 2.062 231 W HA -0.167 4.352 4.660 -0.235 0.000 0.257 231 W C 0.896 177.448 176.519 0.054 0.000 1.024 231 W CA 0.053 57.448 57.345 0.084 0.000 0.471 231 W CB -1.578 27.947 29.460 0.108 0.000 2.039 231 W HN 0.272 nan 8.180 nan 0.000 1.321 232 G N 0.868 109.780 108.800 0.186 0.000 2.389 232 G HA2 0.496 4.315 3.960 -0.234 0.000 0.317 232 G HA3 0.496 4.315 3.960 -0.234 0.000 0.317 232 G C -0.466 174.478 174.900 0.074 0.000 1.137 232 G CA -0.637 44.533 45.100 0.117 0.000 0.870 232 G HN 0.061 nan 8.290 nan 0.000 0.496 233 E N 0.269 120.505 120.200 0.059 0.000 2.384 233 E HA 0.305 4.515 4.350 -0.234 0.000 0.266 233 E C 1.316 177.928 176.600 0.019 0.000 1.012 233 E CA 1.029 57.452 56.400 0.037 0.000 0.901 233 E CB 0.605 30.325 29.700 0.032 0.000 0.967 233 E HN 0.917 nan 8.360 nan 0.000 0.435 234 G N 3.136 111.939 108.800 0.004 0.000 2.187 234 G HA2 -0.283 3.537 3.960 -0.234 0.000 0.261 234 G HA3 -0.283 3.537 3.960 -0.234 0.000 0.261 234 G C 0.515 175.414 174.900 -0.001 0.000 1.000 234 G CA 0.370 45.466 45.100 -0.006 0.000 0.718 234 G HN 0.746 nan 8.290 nan 0.000 0.519 235 G N -1.568 107.237 108.800 0.007 0.000 2.543 235 G HA2 0.444 4.264 3.960 -0.234 0.000 0.267 235 G HA3 0.444 4.264 3.960 -0.234 0.000 0.267 235 G C 0.169 175.096 174.900 0.044 0.000 1.406 235 G CA -0.337 44.788 45.100 0.040 0.000 1.048 235 G HN 0.484 nan 8.290 nan 0.000 0.548 236 W N 1.448 122.680 121.300 -0.113 0.000 2.216 236 W HA 0.460 4.980 4.660 -0.233 0.000 0.326 236 W C 0.223 176.616 176.519 -0.210 0.000 1.319 236 W CA 0.057 57.310 57.345 -0.153 0.000 1.213 236 W CB 1.034 30.392 29.460 -0.170 0.000 1.171 236 W HN 0.560 nan 8.180 nan 0.000 0.557 237 S N 4.411 119.688 115.700 -0.704 0.000 2.709 237 S HA 0.323 4.653 4.470 -0.234 0.000 0.302 237 S C 0.274 174.538 174.600 -0.560 0.000 1.127 237 S CA -0.818 57.080 58.200 -0.504 0.000 0.905 237 S CB 1.697 64.672 63.200 -0.376 0.000 1.151 237 S HN 0.509 nan 8.310 nan 0.000 0.510 238 L N 1.219 122.204 121.223 -0.396 0.000 2.012 238 L HA 0.006 4.206 4.340 -0.234 0.000 0.210 238 L C 2.449 179.183 176.870 -0.227 0.000 1.073 238 L CA 2.043 56.711 54.840 -0.287 0.000 0.748 238 L CB -1.224 40.745 42.059 -0.150 0.000 0.891 238 L HN 0.827 nan 8.230 nan 0.000 0.431 239 E N -0.189 119.869 120.200 -0.237 0.000 2.110 239 E HA -0.216 3.993 4.350 -0.234 0.000 0.193 239 E C 1.868 178.288 176.600 -0.299 0.000 0.988 239 E CA 1.345 57.621 56.400 -0.207 0.000 0.804 239 E CB -0.360 29.233 29.700 -0.179 0.000 0.745 239 E HN 0.609 nan 8.360 nan 0.000 0.458 240 D N 0.230 120.290 120.400 -0.566 0.000 2.104 240 D HA -0.111 4.388 4.640 -0.234 0.000 0.194 240 D C 1.878 177.894 176.300 -0.474 0.000 0.994 240 D CA 1.375 54.822 54.000 -0.921 0.000 0.830 240 D CB -0.442 39.044 40.800 -2.190 0.000 0.959 240 D HN 0.134 nan 8.370 nan 0.000 0.452 241 T N 1.147 115.564 114.554 -0.230 0.000 2.867 241 T HA -0.022 4.188 4.350 -0.234 0.000 0.268 241 T C 2.192 177.004 174.700 0.186 0.000 1.057 241 T CA 0.354 62.607 62.100 0.254 0.000 1.136 241 T CB -0.106 68.877 68.868 0.193 0.000 0.874 241 T HN 0.122 nan 8.240 nan 0.000 0.466 242 L N 0.662 121.907 121.223 0.037 0.000 2.056 242 L HA -0.058 4.142 4.340 -0.234 0.000 0.207 242 L C 3.052 179.958 176.870 0.059 0.000 1.078 242 L CA 1.236 56.099 54.840 0.038 0.000 0.749 242 L CB -0.684 41.370 42.059 -0.008 0.000 0.901 242 L HN 0.235 nan 8.230 nan 0.000 0.433 243 A N -0.197 122.651 122.820 0.046 0.000 1.898 243 A HA -0.242 3.938 4.320 -0.234 0.000 0.216 243 A C 2.150 179.846 177.584 0.186 0.000 1.181 243 A CA 1.252 53.331 52.037 0.070 0.000 0.620 243 A CB -0.767 18.243 19.000 0.016 0.000 0.819 243 A HN 0.320 nan 8.150 nan 0.000 0.442 244 F N 1.064 121.076 119.950 0.102 0.000 2.043 244 F HA -0.198 4.188 4.527 -0.234 0.000 0.297 244 F C 2.670 178.514 175.800 0.073 0.000 1.121 244 F CA 1.258 59.347 58.000 0.148 0.000 1.199 244 F CB -0.876 38.306 39.000 0.303 0.000 0.968 244 F HN 0.257 nan 8.300 nan 0.000 0.478 245 A N 0.166 123.054 122.820 0.113 0.000 1.917 245 A HA -0.246 3.934 4.320 -0.234 0.000 0.219 245 A C 2.370 179.910 177.584 -0.073 0.000 1.182 245 A CA 1.961 53.968 52.037 -0.049 0.000 0.633 245 A CB -0.828 18.187 19.000 0.024 0.000 0.819 245 A HN 0.469 nan 8.150 nan 0.000 0.448 246 R N -0.996 119.494 120.500 -0.016 0.000 2.094 246 R HA -0.141 4.059 4.340 -0.234 0.000 0.239 246 R C 2.463 178.735 176.300 -0.048 0.000 1.137 246 R CA 1.636 57.721 56.100 -0.024 0.000 0.943 246 R CB -0.299 30.001 30.300 -0.000 0.000 0.850 246 R HN 0.389 nan 8.270 nan 0.000 0.433 247 R N 0.670 121.141 120.500 -0.048 0.000 2.096 247 R HA -0.112 4.087 4.340 -0.234 0.000 0.235 247 R C 2.349 178.562 176.300 -0.144 0.000 1.127 247 R CA 1.150 57.208 56.100 -0.070 0.000 0.968 247 R CB -0.727 29.555 30.300 -0.031 0.000 0.861 247 R HN 0.320 nan 8.270 nan 0.000 0.440 248 L N 0.730 121.801 121.223 -0.253 0.000 2.017 248 L HA -0.162 4.038 4.340 -0.234 0.000 0.208 248 L C 2.750 179.526 176.870 -0.157 0.000 1.073 248 L CA 1.404 56.075 54.840 -0.282 0.000 0.745 248 L CB -0.479 41.329 42.059 -0.418 0.000 0.894 248 L HN 0.172 nan 8.230 nan 0.000 0.432 249 K N 0.564 120.891 120.400 -0.122 0.000 2.044 249 K HA -0.242 3.938 4.320 -0.234 0.000 0.210 249 K C 1.899 178.464 176.600 -0.059 0.000 1.049 249 K CA 1.882 58.122 56.287 -0.077 0.000 0.927 249 K CB -0.035 32.429 32.500 -0.059 0.000 0.713 249 K HN 0.352 nan 8.250 nan 0.000 0.443 250 E N 0.450 120.616 120.200 -0.056 0.000 2.160 250 E HA -0.185 4.025 4.350 -0.234 0.000 0.195 250 E C 1.890 178.466 176.600 -0.041 0.000 0.991 250 E CA 1.002 57.377 56.400 -0.041 0.000 0.810 250 E CB -0.046 29.633 29.700 -0.035 0.000 0.742 250 E HN 0.345 nan 8.360 nan 0.000 0.466 251 L N -0.599 120.590 121.223 -0.058 0.000 2.478 251 L HA 0.053 4.253 4.340 -0.234 0.000 0.223 251 L C 1.420 178.265 176.870 -0.043 0.000 1.140 251 L CA 0.533 55.341 54.840 -0.053 0.000 0.842 251 L CB -0.071 41.943 42.059 -0.075 0.000 0.953 251 L HN 0.361 nan 8.230 nan 0.000 0.452 252 G N -0.114 108.661 108.800 -0.042 0.000 2.141 252 G HA2 -0.235 3.585 3.960 -0.234 0.000 0.231 252 G HA3 -0.235 3.585 3.960 -0.234 0.000 0.231 252 G C 0.239 175.125 174.900 -0.024 0.000 0.984 252 G CA -0.047 45.037 45.100 -0.027 0.000 0.660 252 G HN 0.065 nan 8.290 nan 0.000 0.525 253 V N 1.253 121.141 119.914 -0.044 0.000 2.617 253 V HA 0.090 4.070 4.120 -0.234 0.000 0.304 253 V C 1.457 177.538 176.094 -0.020 0.000 1.040 253 V CA 1.036 63.316 62.300 -0.034 0.000 1.149 253 V CB 1.060 32.833 31.823 -0.083 0.000 0.914 253 V HN 0.397 nan 8.190 nan 0.000 0.487 254 D N 2.982 123.398 120.400 0.025 0.000 2.213 254 D HA 0.136 4.636 4.640 -0.234 0.000 0.205 254 D C 0.277 176.542 176.300 -0.059 0.000 0.961 254 D CA 0.926 54.939 54.000 0.022 0.000 0.853 254 D CB 0.833 41.699 40.800 0.111 0.000 0.967 254 D HN 0.359 nan 8.370 nan 0.000 0.496 255 L N 0.610 121.757 121.223 -0.126 0.000 2.549 255 L HA 0.312 4.512 4.340 -0.234 0.000 0.259 255 L C -2.108 174.591 176.870 -0.286 0.000 0.934 255 L CA -0.744 53.905 54.840 -0.318 0.000 0.865 255 L CB 2.376 43.990 42.059 -0.742 0.000 1.352 255 L HN -0.247 nan 8.230 nan 0.000 0.410 256 L N 3.968 125.066 121.223 -0.208 0.000 2.272 256 L HA 0.532 4.732 4.340 -0.234 0.000 0.289 256 L C -0.870 175.928 176.870 -0.120 0.000 1.032 256 L CA 0.159 54.925 54.840 -0.122 0.000 0.810 256 L CB 1.240 43.266 42.059 -0.054 0.000 1.205 256 L HN 0.589 nan 8.230 nan 0.000 0.422 257 D N 4.541 124.893 120.400 -0.080 0.000 2.428 257 D HA 0.194 4.694 4.640 -0.234 0.000 0.221 257 D C -1.068 175.236 176.300 0.007 0.000 1.123 257 D CA -0.213 53.755 54.000 -0.053 0.000 0.869 257 D CB 0.475 41.270 40.800 -0.008 0.000 1.032 257 D HN 0.547 nan 8.370 nan 0.000 0.506 258 C N 3.688 123.003 119.300 0.026 0.000 2.256 258 C HA 0.535 4.855 4.460 -0.234 0.000 0.333 258 C C 0.929 175.987 174.990 0.113 0.000 1.183 258 C CA -0.455 58.612 59.018 0.083 0.000 1.692 258 C CB -0.774 27.036 27.740 0.116 0.000 2.274 258 C HN 0.595 nan 8.230 nan 0.000 0.509 259 S N 1.927 117.705 115.700 0.130 0.000 2.788 259 S HA 0.900 5.230 4.470 -0.234 0.000 0.291 259 S C -0.238 174.510 174.600 0.247 0.000 1.061 259 S CA 0.008 58.333 58.200 0.209 0.000 0.923 259 S CB 1.525 64.907 63.200 0.303 0.000 1.339 259 S HN 1.068 nan 8.310 nan 0.000 0.591 260 S N -1.102 114.814 115.700 0.361 0.000 2.597 260 S HA 0.636 4.966 4.470 -0.234 0.000 0.274 260 S C -0.105 174.770 174.600 0.458 0.000 1.132 260 S CA 0.225 58.620 58.200 0.325 0.000 0.835 260 S CB 0.408 63.870 63.200 0.436 0.000 1.092 260 S HN 2.366 nan 8.310 nan 0.000 0.457 261 G N 0.688 109.711 108.800 0.373 0.000 2.725 261 G HA2 0.367 4.187 3.960 -0.234 0.000 0.220 261 G HA3 0.367 4.187 3.960 -0.234 0.000 0.220 261 G C 1.108 176.178 174.900 0.283 0.000 1.357 261 G CA 1.045 46.408 45.100 0.439 0.000 0.866 261 G HN 2.724 nan 8.290 nan 0.000 0.548 262 G N -2.909 106.019 108.800 0.213 0.000 2.184 262 G HA2 -0.114 3.705 3.960 -0.234 0.000 0.264 262 G HA3 -0.114 3.705 3.960 -0.234 0.000 0.264 262 G C 1.471 176.441 174.900 0.116 0.000 0.975 262 G CA 1.544 46.718 45.100 0.125 0.000 0.642 262 G HN 1.880 nan 8.290 nan 0.000 0.536 263 V N -0.021 119.970 119.914 0.129 0.000 2.323 263 V HA 0.185 4.165 4.120 -0.234 0.000 0.244 263 V C 1.717 177.926 176.094 0.192 0.000 1.041 263 V CA 2.108 64.472 62.300 0.106 0.000 1.025 263 V CB -0.025 31.827 31.823 0.048 0.000 0.656 263 V HN 1.277 nan 8.190 nan 0.000 0.451 264 V N -3.476 116.495 119.914 0.094 0.000 3.040 264 V HA 0.501 4.481 4.120 -0.234 0.000 0.312 264 V C 0.606 176.635 176.094 -0.107 0.000 1.115 264 V CA -0.664 61.557 62.300 -0.132 0.000 0.998 264 V CB 2.117 33.856 31.823 -0.141 0.000 1.042 264 V HN 0.099 nan 8.190 nan 0.000 0.433 265 L N 0.210 121.246 121.223 -0.311 0.000 2.109 265 L HA 0.217 4.417 4.340 -0.234 0.000 0.207 265 L C 1.943 178.771 176.870 -0.070 0.000 1.086 265 L CA 1.131 55.890 54.840 -0.135 0.000 0.760 265 L CB -0.123 41.820 42.059 -0.194 0.000 0.910 265 L HN 0.680 nan 8.230 nan 0.000 0.437 266 R N 0.597 121.041 120.500 -0.094 0.000 4.518 266 R HA 0.179 4.379 4.340 -0.234 0.000 0.243 266 R C -0.981 175.310 176.300 -0.016 0.000 1.720 266 R CA -0.209 55.859 56.100 -0.055 0.000 1.526 266 R CB -0.018 30.241 30.300 -0.068 0.000 1.425 266 R HN 0.099 nan 8.270 nan 0.000 0.787 267 V N -2.547 117.374 119.914 0.010 0.000 3.001 267 V HA 0.543 4.523 4.120 -0.234 0.000 0.314 267 V C -0.129 175.969 176.094 0.006 0.000 1.099 267 V CA -1.571 60.758 62.300 0.047 0.000 0.989 267 V CB 2.321 34.225 31.823 0.135 0.000 1.040 267 V HN 0.218 nan 8.190 nan 0.000 0.434 268 R N 2.359 122.857 120.500 -0.003 0.000 2.248 268 R HA 0.624 4.823 4.340 -0.234 0.000 0.328 268 R C -0.698 175.461 176.300 -0.236 0.000 1.067 268 R CA -0.078 55.969 56.100 -0.088 0.000 0.924 268 R CB 0.652 30.918 30.300 -0.056 0.000 1.013 268 R HN 0.701 nan 8.270 nan 0.000 0.454 269 I N 5.517 125.858 120.570 -0.380 0.000 2.330 269 I HA 0.242 4.271 4.170 -0.234 0.000 0.289 269 I C -1.691 174.025 176.117 -0.669 0.000 1.001 269 I CA -2.279 58.554 61.300 -0.778 0.000 1.193 269 I CB 1.724 39.359 38.000 -0.609 0.000 1.345 269 I HN 0.386 nan 8.210 nan 0.000 0.461 270 P HA 0.187 nan 4.420 nan 0.000 0.237 270 P C -0.267 176.698 177.300 -0.558 0.000 1.788 270 P CA -0.154 62.670 63.100 -0.461 0.000 1.061 270 P CB -0.074 31.452 31.700 -0.289 0.000 1.967 271 L N 1.817 122.634 121.223 -0.677 0.000 2.499 271 L HA 0.347 4.547 4.340 -0.234 0.000 0.273 271 L C 0.796 177.378 176.870 -0.481 0.000 1.195 271 L CA 0.323 54.623 54.840 -0.902 0.000 0.882 271 L CB 0.075 41.778 42.059 -0.592 0.000 1.133 271 L HN 0.357 nan 8.230 nan 0.000 0.483 272 A N 5.074 127.682 122.820 -0.353 0.000 2.599 272 A HA 0.615 4.795 4.320 -0.234 0.000 0.294 272 A C -2.760 174.901 177.584 0.128 0.000 1.055 272 A CA -1.294 50.712 52.037 -0.051 0.000 0.683 272 A CB 1.204 20.197 19.000 -0.011 0.000 1.278 272 A HN 0.412 nan 8.150 nan 0.000 0.412 273 P HA 0.174 nan 4.420 nan 0.000 0.257 273 P C 1.099 178.489 177.300 0.149 0.000 1.153 273 P CA 2.767 65.937 63.100 0.117 0.000 0.762 273 P CB 0.214 31.956 31.700 0.068 0.000 0.743 274 G N 3.287 112.186 108.800 0.164 0.000 2.148 274 G HA2 -0.338 3.482 3.960 -0.234 0.000 0.254 274 G HA3 -0.338 3.482 3.960 -0.234 0.000 0.254 274 G C 0.607 175.543 174.900 0.060 0.000 0.981 274 G CA 0.296 45.444 45.100 0.078 0.000 0.670 274 G HN 0.600 nan 8.290 nan 0.000 0.528 275 F N -0.479 119.464 119.950 -0.012 0.000 2.333 275 F HA 0.150 4.536 4.527 -0.236 0.000 0.300 275 F C 2.014 177.753 175.800 -0.101 0.000 1.083 275 F CA 1.542 59.529 58.000 -0.022 0.000 1.395 275 F CB -0.088 38.926 39.000 0.024 0.000 1.056 275 F HN 0.345 nan 8.300 nan 0.000 0.529 276 Q N 0.400 119.759 119.800 -0.735 0.000 2.319 276 Q HA 0.096 4.296 4.340 -0.234 0.000 0.202 276 Q C 2.120 177.841 176.000 -0.464 0.000 0.896 276 Q CA 0.088 55.502 55.803 -0.650 0.000 0.942 276 Q CB 0.552 29.017 28.738 -0.455 0.000 1.083 276 Q HN 0.412 nan 8.270 nan 0.000 0.510 277 V N 2.230 121.951 119.914 -0.323 0.000 2.407 277 V HA -0.158 3.822 4.120 -0.234 0.000 0.248 277 V C -0.820 175.153 176.094 -0.201 0.000 1.055 277 V CA 1.730 63.919 62.300 -0.186 0.000 1.049 277 V CB -1.110 30.656 31.823 -0.096 0.000 0.662 277 V HN 0.314 nan 8.190 nan 0.000 0.455 278 P HA -0.134 nan 4.420 nan 0.000 0.218 278 P C 1.520 178.758 177.300 -0.104 0.000 1.149 278 P CA 1.472 64.439 63.100 -0.222 0.000 0.817 278 P CB -0.139 31.404 31.700 -0.261 0.000 0.785 279 F N 1.256 121.205 119.950 -0.001 0.000 2.102 279 F HA -0.050 4.337 4.527 -0.234 0.000 0.298 279 F C 2.713 178.508 175.800 -0.009 0.000 1.105 279 F CA 0.614 58.608 58.000 -0.010 0.000 1.239 279 F CB -2.132 36.856 39.000 -0.021 0.000 0.991 279 F HN -0.048 nan 8.300 nan 0.000 0.474 280 A N -0.208 122.684 122.820 0.120 0.000 1.902 280 A HA -0.212 3.968 4.320 -0.234 0.000 0.217 280 A C 2.229 179.830 177.584 0.028 0.000 1.181 280 A CA 1.833 53.901 52.037 0.052 0.000 0.623 280 A CB -1.039 17.965 19.000 0.006 0.000 0.818 280 A HN 0.416 nan 8.150 nan 0.000 0.443 281 D N 0.195 120.603 120.400 0.013 0.000 2.092 281 D HA -0.139 4.361 4.640 -0.234 0.000 0.193 281 D C 2.154 178.469 176.300 0.025 0.000 0.994 281 D CA 1.651 55.656 54.000 0.008 0.000 0.828 281 D CB -0.140 40.656 40.800 -0.007 0.000 0.963 281 D HN 0.312 nan 8.370 nan 0.000 0.450 282 A N 0.675 123.526 122.820 0.051 0.000 1.883 282 A HA -0.130 4.049 4.320 -0.234 0.000 0.217 282 A C 2.699 180.310 177.584 0.046 0.000 1.186 282 A CA 1.724 53.794 52.037 0.055 0.000 0.624 282 A CB -0.950 18.102 19.000 0.088 0.000 0.822 282 A HN 0.246 nan 8.150 nan 0.000 0.444 283 V N -0.014 119.935 119.914 0.058 0.000 2.287 283 V HA -0.287 3.693 4.120 -0.234 0.000 0.248 283 V C 2.685 178.789 176.094 0.016 0.000 1.053 283 V CA 2.471 64.795 62.300 0.040 0.000 1.027 283 V CB -0.797 31.055 31.823 0.049 0.000 0.646 283 V HN 0.685 nan 8.190 nan 0.000 0.447 284 R N 0.094 120.600 120.500 0.009 0.000 2.070 284 R HA -0.186 4.014 4.340 -0.234 0.000 0.233 284 R C 2.419 178.717 176.300 -0.003 0.000 1.137 284 R CA 1.912 58.008 56.100 -0.006 0.000 0.945 284 R CB -0.192 30.101 30.300 -0.012 0.000 0.845 284 R HN 0.459 nan 8.270 nan 0.000 0.430 285 K N -0.375 120.027 120.400 0.004 0.000 2.062 285 K HA -0.090 4.090 4.320 -0.234 0.000 0.205 285 K C 2.283 178.885 176.600 0.003 0.000 1.051 285 K CA 1.460 57.749 56.287 0.003 0.000 0.941 285 K CB 0.008 32.511 32.500 0.006 0.000 0.719 285 K HN 0.180 nan 8.250 nan 0.000 0.440 286 R N -0.035 120.469 120.500 0.007 0.000 2.173 286 R HA 0.035 4.235 4.340 -0.234 0.000 0.208 286 R C 1.920 178.221 176.300 0.002 0.000 1.035 286 R CA 0.477 56.580 56.100 0.005 0.000 1.004 286 R CB 0.318 30.623 30.300 0.008 0.000 0.917 286 R HN -0.020 nan 8.270 nan 0.000 0.462 287 V N -1.294 118.621 119.914 0.001 0.000 3.212 287 V HA 0.234 4.214 4.120 -0.234 0.000 0.244 287 V C 1.318 177.406 176.094 -0.010 0.000 1.151 287 V CA 0.979 63.276 62.300 -0.004 0.000 1.119 287 V CB 0.676 32.499 31.823 -0.001 0.000 0.838 287 V HN 0.559 nan 8.190 nan 0.000 0.470 288 G N 0.815 109.609 108.800 -0.011 0.000 2.143 288 G HA2 -0.232 3.588 3.960 -0.234 0.000 0.249 288 G HA3 -0.232 3.588 3.960 -0.234 0.000 0.249 288 G C -0.102 174.784 174.900 -0.024 0.000 0.981 288 G CA 0.335 45.426 45.100 -0.016 0.000 0.665 288 G HN 0.382 nan 8.290 nan 0.000 0.528 289 L N 1.408 122.614 121.223 -0.029 0.000 2.331 289 L HA 0.657 4.857 4.340 -0.234 0.000 0.278 289 L C 1.077 177.916 176.870 -0.052 0.000 1.106 289 L CA -0.765 54.049 54.840 -0.044 0.000 0.824 289 L CB 0.393 42.422 42.059 -0.051 0.000 1.142 289 L HN 0.284 nan 8.230 nan 0.000 0.443 290 R N 2.088 122.548 120.500 -0.067 0.000 2.756 290 R HA 0.345 4.545 4.340 -0.234 0.000 0.264 290 R C -0.176 176.054 176.300 -0.117 0.000 1.026 290 R CA 0.802 56.851 56.100 -0.085 0.000 1.121 290 R CB 0.259 30.500 30.300 -0.099 0.000 0.999 290 R HN 0.848 nan 8.270 nan 0.000 0.449 291 T N -1.722 112.764 114.554 -0.113 0.000 2.896 291 T HA 0.622 4.832 4.350 -0.234 0.000 0.297 291 T C -0.136 174.481 174.700 -0.139 0.000 1.108 291 T CA -1.012 61.015 62.100 -0.121 0.000 1.004 291 T CB 2.179 71.012 68.868 -0.058 0.000 1.159 291 T HN 0.577 nan 8.240 nan 0.000 0.499 292 G N -0.080 108.633 108.800 -0.144 0.000 2.416 292 G HA2 0.674 4.494 3.960 -0.234 0.000 0.324 292 G HA3 0.674 4.494 3.960 -0.234 0.000 0.324 292 G C -0.507 174.366 174.900 -0.045 0.000 1.194 292 G CA -0.802 44.233 45.100 -0.108 0.000 0.922 292 G HN 1.083 nan 8.290 nan 0.000 0.467 293 A N 1.196 124.000 122.820 -0.028 0.000 2.312 293 A HA 0.871 5.050 4.320 -0.234 0.000 0.328 293 A C -0.642 176.940 177.584 -0.002 0.000 1.158 293 A CA -0.824 51.203 52.037 -0.018 0.000 0.821 293 A CB 1.972 20.958 19.000 -0.024 0.000 1.170 293 A HN 1.685 nan 8.150 nan 0.000 0.490 294 V N 0.414 120.325 119.914 -0.004 0.000 3.147 294 V HA 0.793 4.773 4.120 -0.234 0.000 0.299 294 V C -0.335 175.754 176.094 -0.009 0.000 1.302 294 V CA 0.785 63.097 62.300 0.020 0.000 1.015 294 V CB 2.118 33.976 31.823 0.059 0.000 1.086 294 V HN 2.511 nan 8.190 nan 0.000 0.437 295 G N 4.737 113.560 108.800 0.038 0.000 2.781 295 G HA2 0.190 4.009 3.960 -0.234 0.000 0.468 295 G HA3 0.190 4.009 3.960 -0.234 0.000 0.468 295 G C -0.407 174.601 174.900 0.179 0.000 1.186 295 G CA -0.350 44.804 45.100 0.091 0.000 1.220 295 G HN 1.861 nan 8.290 nan 0.000 0.564 296 L N -0.039 121.295 121.223 0.186 0.000 3.678 296 L HA -0.220 3.980 4.340 -0.234 0.000 0.425 296 L C 0.692 177.611 176.870 0.081 0.000 1.240 296 L CA 0.650 55.573 54.840 0.138 0.000 0.876 296 L CB -1.107 41.062 42.059 0.185 0.000 1.766 296 L HN 0.624 nan 8.230 nan 0.000 0.917 297 I N 0.129 120.723 120.570 0.041 0.000 2.304 297 I HA 0.215 4.244 4.170 -0.234 0.000 0.291 297 I C 1.307 177.386 176.117 -0.063 0.000 1.018 297 I CA 0.585 61.890 61.300 0.009 0.000 1.260 297 I CB 1.230 39.236 38.000 0.010 0.000 1.390 297 I HN 0.299 nan 8.210 nan 0.000 0.475 298 T N -0.674 113.851 114.554 -0.048 0.000 3.130 298 T HA 0.203 4.413 4.350 -0.234 0.000 0.288 298 T C 0.406 175.100 174.700 -0.010 0.000 0.936 298 T CA -0.133 61.896 62.100 -0.119 0.000 0.897 298 T CB 0.394 69.240 68.868 -0.037 0.000 1.178 298 T HN 0.444 nan 8.240 nan 0.000 0.543 299 T N 2.884 117.533 114.554 0.158 0.000 2.933 299 T HA 0.496 4.706 4.350 -0.234 0.000 0.305 299 T C -2.382 172.559 174.700 0.403 0.000 1.092 299 T CA -1.249 61.047 62.100 0.327 0.000 1.008 299 T CB 2.451 71.425 68.868 0.176 0.000 1.102 299 T HN -0.280 nan 8.240 nan 0.000 0.469 300 P HA -0.065 nan 4.420 nan 0.000 0.215 300 P C 1.056 178.465 177.300 0.182 0.000 1.157 300 P CA 1.142 64.400 63.100 0.264 0.000 0.868 300 P CB 0.338 32.113 31.700 0.124 0.000 0.788 301 E N -0.144 120.140 120.200 0.140 0.000 2.058 301 E HA -0.237 3.973 4.350 -0.234 0.000 0.194 301 E C 2.243 178.899 176.600 0.093 0.000 0.997 301 E CA 1.262 57.723 56.400 0.101 0.000 0.801 301 E CB -0.863 28.886 29.700 0.081 0.000 0.746 301 E HN 0.389 nan 8.360 nan 0.000 0.450 302 Q N 0.326 120.187 119.800 0.102 0.000 2.084 302 Q HA -0.182 4.018 4.340 -0.234 0.000 0.202 302 Q C 2.070 178.116 176.000 0.078 0.000 0.978 302 Q CA 1.690 57.542 55.803 0.082 0.000 0.844 302 Q CB -0.168 28.619 28.738 0.083 0.000 0.898 302 Q HN 0.299 nan 8.270 nan 0.000 0.426 303 A N 0.498 123.380 122.820 0.104 0.000 1.897 303 A HA -0.181 3.998 4.320 -0.234 0.000 0.215 303 A C 1.888 179.511 177.584 0.066 0.000 1.181 303 A CA 1.513 53.602 52.037 0.086 0.000 0.620 303 A CB -0.577 18.498 19.000 0.125 0.000 0.821 303 A HN 0.501 nan 8.150 nan 0.000 0.443 304 E N 0.070 120.320 120.200 0.082 0.000 2.058 304 E HA -0.144 4.066 4.350 -0.234 0.000 0.194 304 E C 2.004 178.633 176.600 0.048 0.000 0.997 304 E CA 2.238 58.678 56.400 0.067 0.000 0.801 304 E CB -0.709 29.041 29.700 0.084 0.000 0.746 304 E HN 0.490 nan 8.360 nan 0.000 0.450 305 T N 1.087 115.670 114.554 0.049 0.000 2.788 305 T HA -0.134 4.075 4.350 -0.234 0.000 0.268 305 T C 1.803 176.519 174.700 0.026 0.000 1.044 305 T CA 1.493 63.615 62.100 0.037 0.000 1.139 305 T CB -0.401 68.490 68.868 0.039 0.000 0.867 305 T HN 0.350 nan 8.240 nan 0.000 0.454 306 L N -0.050 121.188 121.223 0.025 0.000 2.141 306 L HA 0.173 4.373 4.340 -0.234 0.000 0.209 306 L C 2.084 178.959 176.870 0.007 0.000 1.094 306 L CA 1.451 56.298 54.840 0.013 0.000 0.763 306 L CB -1.082 40.981 42.059 0.008 0.000 0.908 306 L HN 0.143 nan 8.230 nan 0.000 0.437 307 L N -0.741 120.488 121.223 0.010 0.000 2.056 307 L HA -0.104 4.096 4.340 -0.234 0.000 0.207 307 L C 2.932 179.807 176.870 0.008 0.000 1.078 307 L CA 0.853 55.695 54.840 0.004 0.000 0.749 307 L CB -0.773 41.287 42.059 0.002 0.000 0.901 307 L HN 0.345 nan 8.230 nan 0.000 0.433 308 Q N 0.125 119.934 119.800 0.015 0.000 2.112 308 Q HA -0.216 3.984 4.340 -0.234 0.000 0.206 308 Q C 2.331 178.337 176.000 0.011 0.000 0.987 308 Q CA 1.909 57.721 55.803 0.016 0.000 0.858 308 Q CB -0.458 28.293 28.738 0.021 0.000 0.905 308 Q HN 0.547 nan 8.270 nan 0.000 0.420 309 A N -0.307 122.519 122.820 0.010 0.000 2.172 309 A HA 0.176 4.356 4.320 -0.234 0.000 0.216 309 A C 1.549 179.135 177.584 0.004 0.000 1.154 309 A CA 1.248 53.290 52.037 0.008 0.000 0.701 309 A CB -0.428 18.576 19.000 0.007 0.000 0.789 309 A HN 0.491 nan 8.150 nan 0.000 0.465 310 G N -1.337 107.464 108.800 0.001 0.000 2.147 310 G HA2 -0.263 3.557 3.960 -0.234 0.000 0.244 310 G HA3 -0.263 3.557 3.960 -0.234 0.000 0.244 310 G C 0.853 175.749 174.900 -0.006 0.000 1.005 310 G CA 0.738 45.837 45.100 -0.002 0.000 0.713 310 G HN 0.585 nan 8.290 nan 0.000 0.515 311 S N -0.595 115.101 115.700 -0.007 0.000 2.489 311 S HA 0.560 4.890 4.470 -0.234 0.000 0.228 311 S C 1.163 175.753 174.600 -0.016 0.000 0.995 311 S CA 1.555 59.748 58.200 -0.011 0.000 0.934 311 S CB 0.228 63.420 63.200 -0.014 0.000 0.771 311 S HN 1.897 nan 8.310 nan 0.000 0.522 312 A N 0.477 123.285 122.820 -0.019 0.000 2.581 312 A HA 0.626 4.805 4.320 -0.234 0.000 0.290 312 A C -1.072 176.492 177.584 -0.034 0.000 1.119 312 A CA -0.632 51.387 52.037 -0.030 0.000 0.670 312 A CB 0.282 19.263 19.000 -0.031 0.000 1.280 312 A HN 0.061 nan 8.150 nan 0.000 0.425 313 D N -1.140 119.230 120.400 -0.050 0.000 2.422 313 D HA 0.331 4.831 4.640 -0.234 0.000 0.218 313 D C -0.261 176.011 176.300 -0.045 0.000 1.047 313 D CA 0.467 54.439 54.000 -0.047 0.000 0.885 313 D CB 0.665 41.430 40.800 -0.059 0.000 1.035 313 D HN 0.243 nan 8.370 nan 0.000 0.502 314 L N 0.813 122.004 121.223 -0.053 0.000 2.431 314 L HA 0.482 4.682 4.340 -0.234 0.000 0.266 314 L C -1.593 175.262 176.870 -0.025 0.000 0.978 314 L CA -1.000 53.818 54.840 -0.038 0.000 0.822 314 L CB 2.158 44.187 42.059 -0.049 0.000 1.310 314 L HN -0.283 nan 8.230 nan 0.000 0.409 315 V N 5.888 125.795 119.914 -0.011 0.000 2.370 315 V HA 0.474 4.454 4.120 -0.234 0.000 0.283 315 V C -0.276 175.833 176.094 0.025 0.000 1.023 315 V CA -0.465 61.838 62.300 0.004 0.000 0.857 315 V CB 1.447 33.274 31.823 0.008 0.000 0.985 315 V HN 0.571 nan 8.190 nan 0.000 0.443 316 L N 6.278 127.521 121.223 0.032 0.000 2.295 316 L HA 0.550 4.750 4.340 -0.234 0.000 0.285 316 L C -0.367 176.529 176.870 0.043 0.000 1.035 316 L CA 0.044 54.916 54.840 0.054 0.000 0.806 316 L CB 1.290 43.390 42.059 0.068 0.000 1.214 316 L HN 0.411 nan 8.230 nan 0.000 0.426 317 L N 2.640 123.891 121.223 0.046 0.000 2.313 317 L HA 0.589 4.789 4.340 -0.234 0.000 0.283 317 L C 0.727 177.628 176.870 0.052 0.000 1.013 317 L CA -0.296 54.553 54.840 0.014 0.000 0.816 317 L CB 1.621 43.665 42.059 -0.026 0.000 1.236 317 L HN 0.789 nan 8.230 nan 0.000 0.419 318 G N 1.905 110.739 108.800 0.056 0.000 2.543 318 G HA2 0.073 3.892 3.960 -0.234 0.000 0.221 318 G HA3 0.073 3.892 3.960 -0.234 0.000 0.221 318 G C 1.197 176.145 174.900 0.080 0.000 1.902 318 G CA -0.126 45.030 45.100 0.094 0.000 0.838 318 G HN 0.555 nan 8.290 nan 0.000 0.650 319 R N -0.391 120.152 120.500 0.072 0.000 2.105 319 R HA -0.037 4.163 4.340 -0.234 0.000 0.239 319 R C 2.484 178.805 176.300 0.035 0.000 1.135 319 R CA 1.117 57.258 56.100 0.068 0.000 0.967 319 R CB -0.594 29.745 30.300 0.065 0.000 0.861 319 R HN 0.224 nan 8.270 nan 0.000 0.442 320 V N 1.056 120.956 119.914 -0.023 0.000 2.594 320 V HA -0.156 3.824 4.120 -0.234 0.000 0.253 320 V C 1.706 177.787 176.094 -0.022 0.000 1.069 320 V CA 1.582 63.836 62.300 -0.076 0.000 1.082 320 V CB -0.112 31.555 31.823 -0.260 0.000 0.680 320 V HN 0.312 nan 8.190 nan 0.000 0.469 321 L N -0.957 120.273 121.223 0.012 0.000 2.418 321 L HA 0.002 4.202 4.340 -0.234 0.000 0.218 321 L C 2.223 179.152 176.870 0.098 0.000 1.125 321 L CA 0.668 55.554 54.840 0.078 0.000 0.835 321 L CB -0.329 41.786 42.059 0.093 0.000 0.953 321 L HN 0.323 nan 8.230 nan 0.000 0.454 322 L N 0.198 121.486 121.223 0.109 0.000 2.093 322 L HA -0.148 4.052 4.340 -0.234 0.000 0.208 322 L C 2.683 179.610 176.870 0.094 0.000 1.085 322 L CA 1.306 56.227 54.840 0.136 0.000 0.755 322 L CB -0.406 41.740 42.059 0.146 0.000 0.904 322 L HN 0.409 nan 8.230 nan 0.000 0.435 323 R N -1.312 119.229 120.500 0.068 0.000 2.308 323 R HA 0.090 4.290 4.340 -0.234 0.000 0.202 323 R C -0.077 176.250 176.300 0.045 0.000 0.898 323 R CA 0.322 56.451 56.100 0.048 0.000 1.046 323 R CB 0.120 30.444 30.300 0.040 0.000 1.026 323 R HN 0.029 nan 8.270 nan 0.000 0.512 324 D N 1.072 121.515 120.400 0.071 0.000 2.714 324 D HA 0.184 4.684 4.640 -0.234 0.000 0.264 324 D C -1.931 174.469 176.300 0.166 0.000 1.231 324 D CA -2.220 51.842 54.000 0.104 0.000 0.802 324 D CB 1.415 42.312 40.800 0.163 0.000 1.319 324 D HN -0.122 nan 8.370 nan 0.000 0.528 325 P HA -0.150 nan 4.420 nan 0.000 0.219 325 P C 0.549 178.126 177.300 0.462 0.000 1.146 325 P CA 0.792 64.015 63.100 0.205 0.000 0.808 325 P CB 0.095 31.858 31.700 0.105 0.000 0.779 326 Y N -2.021 118.378 120.300 0.165 0.000 2.583 326 Y HA 0.196 4.750 4.550 0.006 0.000 0.294 326 Y C 1.848 177.883 175.900 0.226 0.000 1.170 326 Y CA -1.967 56.250 58.100 0.194 0.000 1.265 326 Y CB -1.656 36.922 38.460 0.196 0.000 1.119 326 Y HN -0.120 nan 8.280 nan 0.000 0.522 327 F N 2.495 122.599 119.950 0.256 0.000 2.115 327 F HA -0.178 4.198 4.527 -0.251 0.000 0.300 327 F C -0.952 174.978 175.800 0.217 0.000 1.092 327 F CA 1.587 59.707 58.000 0.199 0.000 1.245 327 F CB -1.075 38.017 39.000 0.152 0.000 0.995 327 F HN 0.015 nan 8.300 nan 0.000 0.481 328 P HA -0.160 nan 4.420 nan 0.000 0.216 328 P C 2.011 179.372 177.300 0.102 0.000 1.153 328 P CA 1.752 64.972 63.100 0.201 0.000 0.848 328 P CB -0.136 31.738 31.700 0.290 0.000 0.787 329 L N -0.932 120.330 121.223 0.064 0.000 2.046 329 L HA -0.152 4.048 4.340 -0.234 0.000 0.208 329 L C 2.487 179.361 176.870 0.006 0.000 1.077 329 L CA 1.624 56.427 54.840 -0.062 0.000 0.747 329 L CB -0.714 41.272 42.059 -0.122 0.000 0.896 329 L HN -0.059 nan 8.230 nan 0.000 0.432 330 R N -0.064 120.496 120.500 0.100 0.000 2.193 330 R HA 0.046 4.246 4.340 -0.234 0.000 0.213 330 R C 2.361 178.579 176.300 -0.136 0.000 1.055 330 R CA 0.842 56.980 56.100 0.064 0.000 0.995 330 R CB -0.281 30.066 30.300 0.078 0.000 0.893 330 R HN 0.298 nan 8.270 nan 0.000 0.459 331 A N 1.638 124.274 122.820 -0.307 0.000 1.969 331 A HA -0.039 4.141 4.320 -0.234 0.000 0.218 331 A C 2.367 179.854 177.584 -0.163 0.000 1.169 331 A CA 1.463 53.317 52.037 -0.305 0.000 0.635 331 A CB -0.383 18.344 19.000 -0.454 0.000 0.810 331 A HN 0.345 nan 8.150 nan 0.000 0.445 332 A N 0.352 122.951 122.820 -0.368 0.000 1.858 332 A HA -0.180 3.999 4.320 -0.234 0.000 0.216 332 A C 2.136 179.508 177.584 -0.353 0.000 1.190 332 A CA 2.074 53.650 52.037 -0.768 0.000 0.617 332 A CB -0.511 17.874 19.000 -1.025 0.000 0.827 332 A HN 0.574 nan 8.150 nan 0.000 0.443 333 K N -0.225 120.048 120.400 -0.212 0.000 2.057 333 K HA -0.047 4.133 4.320 -0.234 0.000 0.207 333 K C 2.054 178.612 176.600 -0.070 0.000 1.049 333 K CA 1.371 57.596 56.287 -0.104 0.000 0.931 333 K CB -0.411 32.082 32.500 -0.011 0.000 0.714 333 K HN 0.308 nan 8.250 nan 0.000 0.440 334 A N 1.094 123.876 122.820 -0.063 0.000 2.032 334 A HA -0.115 4.064 4.320 -0.234 0.000 0.221 334 A C 1.837 179.410 177.584 -0.018 0.000 1.165 334 A CA 1.350 53.368 52.037 -0.032 0.000 0.645 334 A CB -0.449 18.532 19.000 -0.030 0.000 0.807 334 A HN 0.392 nan 8.150 nan 0.000 0.453 335 L N -1.429 119.775 121.223 -0.033 0.000 2.653 335 L HA 0.275 4.474 4.340 -0.234 0.000 0.231 335 L C 1.474 178.332 176.870 -0.020 0.000 1.153 335 L CA 0.378 55.219 54.840 0.002 0.000 0.933 335 L CB -0.035 42.060 42.059 0.060 0.000 1.175 335 L HN 0.554 nan 8.230 nan 0.000 0.473 336 G N 0.344 109.116 108.800 -0.045 0.000 2.143 336 G HA2 -0.242 3.578 3.960 -0.234 0.000 0.248 336 G HA3 -0.242 3.578 3.960 -0.234 0.000 0.248 336 G C 0.096 174.956 174.900 -0.066 0.000 0.991 336 G CA 0.091 45.166 45.100 -0.042 0.000 0.689 336 G HN 0.137 nan 8.290 nan 0.000 0.522 337 V N 0.988 120.827 119.914 -0.124 0.000 2.427 337 V HA 0.728 4.707 4.120 -0.234 0.000 0.286 337 V C 1.014 176.988 176.094 -0.200 0.000 1.034 337 V CA -0.402 61.798 62.300 -0.167 0.000 0.893 337 V CB 1.514 33.173 31.823 -0.274 0.000 0.982 337 V HN 1.156 nan 8.190 nan 0.000 0.452 338 A N 8.280 131.013 122.820 -0.145 0.000 2.545 338 A HA 0.406 4.586 4.320 -0.234 0.000 0.253 338 A C -1.768 175.689 177.584 -0.212 0.000 1.074 338 A CA -0.635 51.318 52.037 -0.140 0.000 0.760 338 A CB -0.467 18.478 19.000 -0.093 0.000 1.005 338 A HN 0.669 nan 8.150 nan 0.000 0.506 339 P HA 0.188 nan 4.420 nan 0.000 0.276 339 P C -0.658 176.470 177.300 -0.286 0.000 1.230 339 P CA -0.193 62.705 63.100 -0.336 0.000 0.776 339 P CB 0.768 32.216 31.700 -0.421 0.000 0.888 340 E N 1.372 121.428 120.200 -0.240 0.000 2.129 340 E HA 0.278 4.488 4.350 -0.234 0.000 0.283 340 E C 0.163 176.606 176.600 -0.262 0.000 1.080 340 E CA -0.583 55.702 56.400 -0.191 0.000 0.867 340 E CB 0.739 30.369 29.700 -0.115 0.000 1.056 340 E HN 0.314 nan 8.360 nan 0.000 0.404 341 V N 1.000 120.744 119.914 -0.283 0.000 2.914 341 V HA 0.597 4.577 4.120 -0.234 0.000 0.314 341 V C -2.652 173.323 176.094 -0.198 0.000 1.084 341 V CA -2.991 59.114 62.300 -0.325 0.000 0.963 341 V CB 1.540 33.036 31.823 -0.544 0.000 1.025 341 V HN 0.373 nan 8.190 nan 0.000 0.432 342 P HA 0.231 nan 4.420 nan 0.000 0.265 342 P C -2.068 175.123 177.300 -0.181 0.000 1.193 342 P CA -0.982 61.971 63.100 -0.245 0.000 0.765 342 P CB 0.230 31.653 31.700 -0.460 0.000 0.823 343 P HA -0.166 nan 4.420 nan 0.000 0.222 343 P C 0.978 178.251 177.300 -0.045 0.000 1.147 343 P CA 1.338 64.395 63.100 -0.070 0.000 0.790 343 P CB 0.189 31.852 31.700 -0.061 0.000 0.780 344 Q N -1.139 118.587 119.800 -0.124 0.000 2.248 344 Q HA -0.154 4.046 4.340 -0.234 0.000 0.208 344 Q C 1.013 177.123 176.000 0.183 0.000 0.984 344 Q CA 1.420 57.188 55.803 -0.058 0.000 0.875 344 Q CB -0.750 27.866 28.738 -0.203 0.000 0.910 344 Q HN 0.417 nan 8.270 nan 0.000 0.433 345 Y N -1.069 119.280 120.300 0.083 0.000 2.584 345 Y HA 0.217 4.614 4.550 -0.255 0.000 0.254 345 Y C 1.601 177.626 175.900 0.209 0.000 1.177 345 Y CA -0.532 57.664 58.100 0.160 0.000 1.216 345 Y CB -0.113 38.500 38.460 0.255 0.000 1.172 345 Y HN 0.069 nan 8.280 nan 0.000 0.529 346 Q N 1.270 121.223 119.800 0.255 0.000 2.096 346 Q HA -0.145 4.055 4.340 -0.234 0.000 0.204 346 Q C 1.862 177.983 176.000 0.202 0.000 0.982 346 Q CA 1.746 57.664 55.803 0.192 0.000 0.850 346 Q CB -0.010 28.781 28.738 0.088 0.000 0.901 346 Q HN 0.269 nan 8.270 nan 0.000 0.422 347 R N -1.067 119.526 120.500 0.155 0.000 2.328 347 R HA 0.008 4.207 4.340 -0.234 0.000 0.207 347 R C 1.596 177.937 176.300 0.068 0.000 1.056 347 R CA 0.833 56.991 56.100 0.097 0.000 1.016 347 R CB -0.126 30.214 30.300 0.066 0.000 0.872 347 R HN 0.317 nan 8.270 nan 0.000 0.471 348 G N -0.387 108.473 108.800 0.100 0.000 3.042 348 G HA2 0.071 3.891 3.960 -0.234 0.000 0.212 348 G HA3 0.071 3.891 3.960 -0.234 0.000 0.212 348 G C 0.103 174.803 174.900 -0.334 0.000 1.166 348 G CA -0.047 44.986 45.100 -0.112 0.000 0.767 348 G HN 0.017 nan 8.290 nan 0.000 0.546 349 F N 0.000 119.959 119.950 0.015 0.000 2.286 349 F HA 0.000 4.373 4.527 -0.257 0.000 0.279 349 F CA 0.000 57.999 58.000 -0.001 0.000 1.383 349 F CB 0.000 38.999 39.000 -0.001 0.000 1.145 349 F HN 0.000 nan 8.300 nan 0.000 0.574