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 1uls_1_D DATA FIRST_RESID 2 DATA SEQUENCE RLKDKAVLIT GAAHGIGRAT LELFAKEGAR LVACDIEEGP LREAAEAVGA DATA SEQUENCE HPVVXDVADP ASVERGFAEA LAHLGRLDGV VHYAGITRDN FHWKXPLEDW DATA SEQUENCE ELVLRVNLTG SFLVAKAASE AXREKNPGSI VLTASRVYLG NLGQANYAAS DATA SEQUENCE XAGVVGLTRT LALELGRWGI RVNTLAPGFI ETRXTAKVPE KVREKAIAAT DATA SEQUENCE PLGRAGKPLE VAYAALFLLS DESSFITGQV LFVDGGRTIG AAPA 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.260 176.300 -0.067 0.000 0.893 2 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 2 R CB 0.000 30.308 30.300 0.014 0.000 0.687 3 L N 2.236 123.406 121.223 -0.088 0.000 3.218 3 L HA 0.363 4.751 4.340 0.081 0.000 0.279 3 L C 0.297 177.119 176.870 -0.081 0.000 1.287 3 L CA -0.356 54.402 54.840 -0.137 0.000 1.024 3 L CB 0.793 42.694 42.059 -0.262 0.000 1.409 3 L HN -0.005 nan 8.230 nan 0.000 0.580 4 K N 1.535 121.907 120.400 -0.047 0.000 2.405 4 K HA -0.150 4.218 4.320 0.081 0.000 0.276 4 K C 0.438 177.021 176.600 -0.029 0.000 1.099 4 K CA 0.655 56.926 56.287 -0.028 0.000 1.120 4 K CB 0.078 32.568 32.500 -0.017 0.000 0.877 4 K HN 0.190 nan 8.250 nan 0.000 0.472 5 D N 2.344 122.730 120.400 -0.022 0.000 3.077 5 D HA -0.176 4.513 4.640 0.081 0.000 0.217 5 D C -0.980 175.305 176.300 -0.025 0.000 1.162 5 D CA 1.259 55.248 54.000 -0.018 0.000 0.943 5 D CB -0.350 40.440 40.800 -0.016 0.000 1.122 5 D HN 0.638 nan 8.370 nan 0.000 0.413 6 K N 0.165 120.541 120.400 -0.040 0.000 2.298 6 K HA 0.540 4.908 4.320 0.081 0.000 0.280 6 K C 0.141 176.721 176.600 -0.033 0.000 1.032 6 K CA 0.182 56.441 56.287 -0.047 0.000 0.958 6 K CB 1.184 33.636 32.500 -0.081 0.000 0.978 6 K HN 0.188 nan 8.250 nan 0.000 0.472 7 A N 3.218 126.026 122.820 -0.020 0.000 2.350 7 A HA 0.346 4.715 4.320 0.081 0.000 0.293 7 A C -0.335 177.247 177.584 -0.003 0.000 1.231 7 A CA -0.492 51.543 52.037 -0.002 0.000 0.883 7 A CB 0.169 19.170 19.000 0.001 0.000 1.133 7 A HN 0.419 nan 8.150 nan 0.000 0.533 8 V N 3.937 123.859 119.914 0.014 0.000 2.656 8 V HA 0.521 4.690 4.120 0.081 0.000 0.307 8 V C -0.260 175.856 176.094 0.036 0.000 1.051 8 V CA -0.579 61.742 62.300 0.036 0.000 0.893 8 V CB 1.770 33.642 31.823 0.081 0.000 0.999 8 V HN 0.857 nan 8.190 nan 0.000 0.426 9 L N 5.301 126.528 121.223 0.008 0.000 2.346 9 L HA 0.731 5.119 4.340 0.081 0.000 0.276 9 L C -1.232 175.629 176.870 -0.014 0.000 1.006 9 L CA -0.393 54.414 54.840 -0.056 0.000 0.817 9 L CB 1.570 43.503 42.059 -0.210 0.000 1.272 9 L HN 0.586 nan 8.230 nan 0.000 0.421 10 I N 3.329 123.888 120.570 -0.019 0.000 2.498 10 I HA 0.386 4.604 4.170 0.081 0.000 0.290 10 I C -0.040 176.078 176.117 0.002 0.000 1.032 10 I CA -0.518 60.775 61.300 -0.012 0.000 1.073 10 I CB 2.406 40.408 38.000 0.004 0.000 1.251 10 I HN 0.619 nan 8.210 nan 0.000 0.426 11 T N 0.681 115.249 114.554 0.023 0.000 2.944 11 T HA 0.566 4.964 4.350 0.081 0.000 0.284 11 T C 0.953 175.683 174.700 0.050 0.000 1.010 11 T CA 0.029 62.161 62.100 0.054 0.000 1.025 11 T CB 1.662 70.625 68.868 0.158 0.000 1.079 11 T HN 1.076 nan 8.240 nan 0.000 0.516 12 G N 0.260 109.072 108.800 0.020 0.000 2.258 12 G HA2 -0.143 3.865 3.960 0.081 0.000 0.274 12 G HA3 -0.143 3.865 3.960 0.081 0.000 0.274 12 G C 0.961 175.917 174.900 0.093 0.000 1.021 12 G CA 0.241 45.330 45.100 -0.018 0.000 0.798 12 G HN 1.538 nan 8.290 nan 0.000 0.507 13 A N -0.854 122.022 122.820 0.092 0.000 2.172 13 A HA 0.490 4.858 4.320 0.081 0.000 0.216 13 A C 2.550 180.163 177.584 0.047 0.000 1.154 13 A CA 1.839 53.914 52.037 0.063 0.000 0.701 13 A CB -0.267 18.749 19.000 0.026 0.000 0.789 13 A HN 1.717 nan 8.150 nan 0.000 0.465 14 A N -1.001 121.882 122.820 0.105 0.000 2.081 14 A HA 0.261 4.629 4.320 0.081 0.000 0.214 14 A C 0.880 178.440 177.584 -0.040 0.000 1.158 14 A CA 0.158 52.206 52.037 0.019 0.000 0.724 14 A CB -0.303 18.685 19.000 -0.020 0.000 0.826 14 A HN 0.570 nan 8.150 nan 0.000 0.463 15 H N -1.877 117.143 119.070 -0.083 0.000 2.544 15 H HA 0.459 5.064 4.556 0.082 0.000 0.365 15 H C 1.838 177.080 175.328 -0.145 0.000 1.268 15 H CA 0.237 56.221 56.048 -0.106 0.000 1.400 15 H CB 0.190 29.886 29.762 -0.110 0.000 1.538 15 H HN 0.130 nan 8.280 nan 0.000 0.597 16 G N 0.631 109.414 108.800 -0.028 0.000 2.839 16 G HA2 -0.334 3.674 3.960 0.081 0.000 0.221 16 G HA3 -0.334 3.674 3.960 0.081 0.000 0.221 16 G C 1.594 176.386 174.900 -0.179 0.000 1.271 16 G CA 1.826 46.861 45.100 -0.108 0.000 0.789 16 G HN 0.645 nan 8.290 nan 0.000 0.659 17 I N 1.355 121.759 120.570 -0.278 0.000 2.151 17 I HA -0.157 4.061 4.170 0.081 0.000 0.243 17 I C 3.122 178.917 176.117 -0.537 0.000 1.080 17 I CA 1.278 62.298 61.300 -0.468 0.000 1.339 17 I CB -0.693 36.872 38.000 -0.726 0.000 1.039 17 I HN 0.322 nan 8.210 nan 0.000 0.409 18 G N 0.474 108.992 108.800 -0.470 0.000 2.422 18 G HA2 -0.298 3.710 3.960 0.081 0.000 0.218 18 G HA3 -0.298 3.710 3.960 0.081 0.000 0.218 18 G C 1.735 176.570 174.900 -0.109 0.000 1.146 18 G CA 0.777 45.780 45.100 -0.162 0.000 0.769 18 G HN 0.189 nan 8.290 nan 0.000 0.547 19 R N 1.219 121.651 120.500 -0.113 0.000 2.073 19 R HA 0.121 4.510 4.340 0.081 0.000 0.234 19 R C 2.763 178.992 176.300 -0.118 0.000 1.134 19 R CA 1.832 57.876 56.100 -0.094 0.000 0.952 19 R CB -1.017 29.233 30.300 -0.083 0.000 0.850 19 R HN 0.220 nan 8.270 nan 0.000 0.433 20 A N -0.957 121.775 122.820 -0.148 0.000 1.972 20 A HA -0.116 4.252 4.320 0.081 0.000 0.219 20 A C 2.143 179.608 177.584 -0.198 0.000 1.169 20 A CA 2.017 53.963 52.037 -0.151 0.000 0.635 20 A CB -0.871 18.038 19.000 -0.152 0.000 0.810 20 A HN 0.472 nan 8.150 nan 0.000 0.446 21 T N 0.047 114.451 114.554 -0.250 0.000 2.904 21 T HA 0.014 4.412 4.350 0.081 0.000 0.267 21 T C 1.784 176.216 174.700 -0.448 0.000 1.059 21 T CA 1.002 62.845 62.100 -0.429 0.000 1.137 21 T CB -0.248 68.392 68.868 -0.381 0.000 0.879 21 T HN 0.349 nan 8.240 nan 0.000 0.467 22 L N 0.676 121.767 121.223 -0.221 0.000 2.017 22 L HA -0.116 4.273 4.340 0.081 0.000 0.208 22 L C 2.705 179.554 176.870 -0.035 0.000 1.073 22 L CA 1.571 56.353 54.840 -0.096 0.000 0.745 22 L CB -0.380 41.648 42.059 -0.052 0.000 0.894 22 L HN 0.348 nan 8.230 nan 0.000 0.432 23 E N -0.221 119.942 120.200 -0.061 0.000 2.051 23 E HA -0.277 4.122 4.350 0.081 0.000 0.192 23 E C 2.218 178.814 176.600 -0.006 0.000 0.991 23 E CA 1.126 57.508 56.400 -0.030 0.000 0.799 23 E CB -0.116 29.555 29.700 -0.048 0.000 0.748 23 E HN 0.397 nan 8.360 nan 0.000 0.449 24 L N 0.211 121.408 121.223 -0.044 0.000 2.027 24 L HA -0.152 4.236 4.340 0.081 0.000 0.206 24 L C 2.126 179.117 176.870 0.203 0.000 1.074 24 L CA 1.331 56.169 54.840 -0.004 0.000 0.745 24 L CB -0.183 41.788 42.059 -0.146 0.000 0.898 24 L HN 0.133 nan 8.230 nan 0.000 0.433 25 F N 0.496 120.419 119.950 -0.045 0.000 2.269 25 F HA -0.121 4.454 4.527 0.079 0.000 0.301 25 F C 2.664 178.460 175.800 -0.007 0.000 1.082 25 F CA 0.717 58.707 58.000 -0.017 0.000 1.360 25 F CB -1.337 37.660 39.000 -0.005 0.000 1.041 25 F HN 0.144 nan 8.300 nan 0.000 0.512 26 A N 0.127 123.058 122.820 0.185 0.000 1.897 26 A HA -0.169 4.200 4.320 0.081 0.000 0.215 26 A C 2.283 179.911 177.584 0.073 0.000 1.181 26 A CA 1.272 53.371 52.037 0.102 0.000 0.620 26 A CB -0.498 18.542 19.000 0.067 0.000 0.821 26 A HN 0.303 nan 8.150 nan 0.000 0.443 27 K N -0.104 120.339 120.400 0.071 0.000 2.147 27 K HA -0.089 4.279 4.320 0.081 0.000 0.205 27 K C 1.038 177.670 176.600 0.053 0.000 1.049 27 K CA 1.104 57.424 56.287 0.055 0.000 0.936 27 K CB -0.080 32.452 32.500 0.053 0.000 0.722 27 K HN 0.312 nan 8.250 nan 0.000 0.446 28 E N 0.048 120.285 120.200 0.061 0.000 2.512 28 E HA -0.009 4.390 4.350 0.081 0.000 0.195 28 E C 0.868 177.469 176.600 0.002 0.000 1.083 28 E CA 0.429 56.847 56.400 0.030 0.000 0.873 28 E CB 0.183 29.887 29.700 0.008 0.000 0.897 28 E HN 0.526 nan 8.360 nan 0.000 0.514 29 G N 0.862 109.672 108.800 0.017 0.000 2.136 29 G HA2 -0.291 3.717 3.960 0.081 0.000 0.242 29 G HA3 -0.291 3.717 3.960 0.081 0.000 0.242 29 G C 0.458 175.357 174.900 -0.002 0.000 0.989 29 G CA 0.249 45.354 45.100 0.008 0.000 0.682 29 G HN 0.515 nan 8.290 nan 0.000 0.522 30 A N -0.369 122.451 122.820 -0.000 0.000 2.322 30 A HA 0.792 5.160 4.320 0.081 0.000 0.269 30 A C 0.674 178.278 177.584 0.034 0.000 1.094 30 A CA -0.243 51.791 52.037 -0.006 0.000 0.807 30 A CB 0.442 19.423 19.000 -0.031 0.000 1.047 30 A HN 0.476 nan 8.150 nan 0.000 0.487 31 R N 1.069 121.588 120.500 0.032 0.000 2.205 31 R HA 0.453 4.842 4.340 0.081 0.000 0.342 31 R C -1.064 175.279 176.300 0.073 0.000 1.058 31 R CA 0.057 56.193 56.100 0.060 0.000 0.904 31 R CB 0.415 30.745 30.300 0.051 0.000 1.089 31 R HN 0.627 nan 8.270 nan 0.000 0.471 32 L N 2.380 123.653 121.223 0.083 0.000 2.344 32 L HA 0.588 4.977 4.340 0.081 0.000 0.272 32 L C -0.390 176.495 176.870 0.023 0.000 1.035 32 L CA -1.079 53.802 54.840 0.068 0.000 0.807 32 L CB 1.785 43.895 42.059 0.085 0.000 1.237 32 L HN 0.217 nan 8.230 nan 0.000 0.442 33 V N 1.600 121.510 119.914 -0.006 0.000 2.482 33 V HA 0.619 4.788 4.120 0.081 0.000 0.295 33 V C -0.219 175.845 176.094 -0.049 0.000 1.026 33 V CA -0.568 61.701 62.300 -0.052 0.000 0.856 33 V CB 1.664 33.432 31.823 -0.090 0.000 1.001 33 V HN 0.824 nan 8.190 nan 0.000 0.424 34 A N 4.359 127.147 122.820 -0.054 0.000 2.276 34 A HA 0.707 5.075 4.320 0.081 0.000 0.316 34 A C -0.346 177.205 177.584 -0.055 0.000 1.229 34 A CA -0.271 51.740 52.037 -0.044 0.000 0.851 34 A CB 0.599 19.575 19.000 -0.040 0.000 1.165 34 A HN 0.832 nan 8.150 nan 0.000 0.513 35 C N 2.090 121.368 119.300 -0.035 0.000 2.417 35 C HA 0.898 5.406 4.460 0.081 0.000 0.324 35 C C -0.159 174.839 174.990 0.013 0.000 1.240 35 C CA -0.372 58.631 59.018 -0.025 0.000 1.632 35 C CB 1.134 28.854 27.740 -0.034 0.000 2.241 35 C HN 0.994 nan 8.230 nan 0.000 0.499 36 D N -0.109 120.302 120.400 0.020 0.000 2.725 36 D HA 0.228 4.916 4.640 0.081 0.000 0.292 36 D C 0.059 176.386 176.300 0.046 0.000 1.288 36 D CA -0.556 53.476 54.000 0.053 0.000 0.784 36 D CB 1.323 42.179 40.800 0.093 0.000 1.308 36 D HN 0.322 nan 8.370 nan 0.000 0.429 37 I N 0.838 121.450 120.570 0.070 0.000 2.584 37 I HA 0.057 4.275 4.170 0.081 0.000 0.255 37 I C 0.256 176.391 176.117 0.031 0.000 1.145 37 I CA 1.091 62.421 61.300 0.051 0.000 1.462 37 I CB 0.236 38.272 38.000 0.060 0.000 1.102 37 I HN 0.219 nan 8.210 nan 0.000 0.433 38 E N 0.765 120.982 120.200 0.028 0.000 2.109 38 E HA 0.069 4.468 4.350 0.081 0.000 0.278 38 E C 0.580 177.170 176.600 -0.017 0.000 0.954 38 E CA -0.094 56.305 56.400 -0.001 0.000 0.779 38 E CB 1.335 31.025 29.700 -0.016 0.000 1.093 38 E HN 0.210 nan 8.360 nan 0.000 0.401 39 E N 3.452 123.640 120.200 -0.021 0.000 2.049 39 E HA -0.229 4.169 4.350 0.081 0.000 0.198 39 E C 1.807 178.382 176.600 -0.040 0.000 1.007 39 E CA 1.802 58.183 56.400 -0.032 0.000 0.809 39 E CB -0.104 29.578 29.700 -0.030 0.000 0.749 39 E HN 0.748 nan 8.360 nan 0.000 0.450 40 G N 1.380 110.158 108.800 -0.037 0.000 2.628 40 G HA2 -0.256 3.752 3.960 0.081 0.000 0.217 40 G HA3 -0.256 3.752 3.960 0.081 0.000 0.217 40 G C -0.591 174.279 174.900 -0.049 0.000 1.240 40 G CA 1.406 46.482 45.100 -0.041 0.000 0.792 40 G HN 0.420 nan 8.290 nan 0.000 0.593 41 P HA -0.030 nan 4.420 nan 0.000 0.222 41 P C 2.063 179.325 177.300 -0.064 0.000 1.147 41 P CA 0.572 63.630 63.100 -0.070 0.000 0.790 41 P CB -0.022 31.619 31.700 -0.100 0.000 0.780 42 L N -0.045 121.146 121.223 -0.053 0.000 2.005 42 L HA -0.102 4.287 4.340 0.081 0.000 0.207 42 L C 2.792 179.626 176.870 -0.059 0.000 1.072 42 L CA 1.579 56.390 54.840 -0.048 0.000 0.744 42 L CB -0.348 41.686 42.059 -0.041 0.000 0.895 42 L HN -0.115 nan 8.230 nan 0.000 0.433 43 R N -0.243 120.218 120.500 -0.064 0.000 2.103 43 R HA -0.259 4.129 4.340 0.081 0.000 0.242 43 R C 2.096 178.362 176.300 -0.058 0.000 1.142 43 R CA 1.833 57.891 56.100 -0.071 0.000 0.960 43 R CB -0.472 29.789 30.300 -0.065 0.000 0.858 43 R HN 0.534 nan 8.270 nan 0.000 0.439 44 E N 0.862 121.031 120.200 -0.051 0.000 2.031 44 E HA -0.195 4.203 4.350 0.081 0.000 0.193 44 E C 2.037 178.611 176.600 -0.044 0.000 0.994 44 E CA 1.251 57.624 56.400 -0.045 0.000 0.800 44 E CB -0.057 29.615 29.700 -0.047 0.000 0.752 44 E HN 0.353 nan 8.360 nan 0.000 0.447 45 A N 1.190 123.981 122.820 -0.048 0.000 1.902 45 A HA -0.109 4.260 4.320 0.081 0.000 0.217 45 A C 2.373 179.934 177.584 -0.039 0.000 1.181 45 A CA 1.949 53.959 52.037 -0.045 0.000 0.623 45 A CB -0.753 18.218 19.000 -0.048 0.000 0.818 45 A HN 0.431 nan 8.150 nan 0.000 0.443 46 A N -0.285 122.508 122.820 -0.045 0.000 1.873 46 A HA -0.154 4.214 4.320 0.081 0.000 0.215 46 A C 1.936 179.500 177.584 -0.032 0.000 1.186 46 A CA 1.606 53.617 52.037 -0.044 0.000 0.616 46 A CB -0.576 18.380 19.000 -0.073 0.000 0.823 46 A HN 0.609 nan 8.150 nan 0.000 0.442 47 E N -0.262 119.917 120.200 -0.036 0.000 2.085 47 E HA -0.138 4.260 4.350 0.081 0.000 0.194 47 E C 2.189 178.781 176.600 -0.013 0.000 0.994 47 E CA 0.924 57.311 56.400 -0.023 0.000 0.801 47 E CB -0.306 29.378 29.700 -0.026 0.000 0.743 47 E HN 0.606 nan 8.360 nan 0.000 0.453 48 A N 0.535 123.344 122.820 -0.018 0.000 2.131 48 A HA -0.122 4.247 4.320 0.081 0.000 0.220 48 A C 2.141 179.721 177.584 -0.007 0.000 1.158 48 A CA 1.091 53.119 52.037 -0.014 0.000 0.665 48 A CB 0.048 19.035 19.000 -0.021 0.000 0.795 48 A HN 0.165 nan 8.150 nan 0.000 0.460 49 V N -2.361 117.551 119.914 -0.004 0.000 3.604 49 V HA 0.374 4.542 4.120 0.081 0.000 0.277 49 V C 1.489 177.595 176.094 0.020 0.000 1.399 49 V CA 0.858 63.163 62.300 0.007 0.000 1.034 49 V CB 0.209 32.035 31.823 0.005 0.000 0.824 49 V HN 1.078 nan 8.190 nan 0.000 0.439 50 G N 0.927 109.738 108.800 0.017 0.000 2.137 50 G HA2 -0.111 3.897 3.960 0.081 0.000 0.237 50 G HA3 -0.111 3.897 3.960 0.081 0.000 0.237 50 G C 0.212 175.140 174.900 0.046 0.000 1.002 50 G CA 0.373 45.492 45.100 0.033 0.000 0.702 50 G HN 1.023 nan 8.290 nan 0.000 0.515 51 A N -0.163 122.673 122.820 0.026 0.000 2.264 51 A HA 0.704 5.072 4.320 0.081 0.000 0.304 51 A C 0.229 177.813 177.584 0.000 0.000 1.100 51 A CA -0.332 51.719 52.037 0.024 0.000 0.839 51 A CB 0.553 19.557 19.000 0.008 0.000 1.121 51 A HN 0.723 nan 8.150 nan 0.000 0.496 52 H N 2.290 121.256 119.070 -0.172 0.000 2.652 52 H HA 0.317 4.921 4.556 0.080 0.000 0.298 52 H C -2.482 172.724 175.328 -0.204 0.000 1.076 52 H CA -1.660 54.220 56.048 -0.281 0.000 1.360 52 H CB 1.188 30.485 29.762 -0.775 0.000 1.421 52 H HN 0.393 nan 8.280 nan 0.000 0.464 53 P HA 0.064 nan 4.420 nan 0.000 0.281 53 P C -0.922 176.179 177.300 -0.332 0.000 1.252 53 P CA -0.369 62.542 63.100 -0.316 0.000 0.778 53 P CB 1.695 33.249 31.700 -0.242 0.000 0.895 54 V N 4.949 124.765 119.914 -0.164 0.000 2.462 54 V HA 0.100 4.268 4.120 0.081 0.000 0.288 54 V C 0.760 176.817 176.094 -0.061 0.000 1.020 54 V CA -0.694 61.547 62.300 -0.098 0.000 0.857 54 V CB 1.934 33.724 31.823 -0.054 0.000 1.013 54 V HN 0.314 nan 8.190 nan 0.000 0.431 58 V N 1.609 121.574 119.914 0.083 0.000 2.944 58 V HA -0.078 4.090 4.120 0.081 0.000 0.265 58 V C 1.811 177.946 176.094 0.070 0.000 1.125 58 V CA 2.087 64.449 62.300 0.103 0.000 1.145 58 V CB -0.917 31.023 31.823 0.196 0.000 0.725 58 V HN 0.472 nan 8.190 nan 0.000 0.510 59 A N -0.137 122.716 122.820 0.056 0.000 2.178 59 A HA 0.135 4.503 4.320 0.081 0.000 0.211 59 A C 1.090 178.694 177.584 0.034 0.000 1.157 59 A CA 0.703 52.766 52.037 0.042 0.000 0.780 59 A CB -0.247 18.774 19.000 0.034 0.000 0.828 59 A HN 0.600 nan 8.150 nan 0.000 0.476 60 D N -0.694 119.726 120.400 0.034 0.000 2.392 60 D HA 0.380 5.068 4.640 0.081 0.000 0.228 60 D C -2.009 174.304 176.300 0.021 0.000 1.074 60 D CA -2.283 51.733 54.000 0.027 0.000 0.838 60 D CB 1.620 42.436 40.800 0.027 0.000 1.067 60 D HN -0.097 nan 8.370 nan 0.000 0.511 61 P HA -0.165 nan 4.420 nan 0.000 0.216 61 P C 0.926 178.223 177.300 -0.004 0.000 1.157 61 P CA 1.765 64.864 63.100 -0.002 0.000 0.880 61 P CB 0.262 31.964 31.700 0.004 0.000 0.791 62 A N -1.118 121.706 122.820 0.007 0.000 1.929 62 A HA -0.137 4.232 4.320 0.081 0.000 0.216 62 A C 2.494 180.092 177.584 0.024 0.000 1.176 62 A CA 1.935 53.978 52.037 0.011 0.000 0.628 62 A CB -1.538 17.468 19.000 0.011 0.000 0.816 62 A HN 0.190 nan 8.150 nan 0.000 0.444 63 S N -0.603 115.115 115.700 0.030 0.000 2.368 63 S HA -0.108 4.410 4.470 0.081 0.000 0.224 63 S C 1.887 176.529 174.600 0.070 0.000 1.029 63 S CA 1.543 59.769 58.200 0.043 0.000 0.988 63 S CB -0.384 62.840 63.200 0.040 0.000 0.838 63 S HN 0.284 nan 8.310 nan 0.000 0.462 64 V N 1.368 121.325 119.914 0.072 0.000 2.358 64 V HA -0.106 4.062 4.120 0.081 0.000 0.246 64 V C 2.464 178.657 176.094 0.164 0.000 1.047 64 V CA 2.069 64.447 62.300 0.131 0.000 1.035 64 V CB -0.687 31.159 31.823 0.039 0.000 0.658 64 V HN 0.524 nan 8.190 nan 0.000 0.452 65 E N 0.000 120.233 120.200 0.054 0.000 2.031 65 E HA -0.213 4.185 4.350 0.081 0.000 0.193 65 E C 2.532 179.188 176.600 0.094 0.000 0.994 65 E CA 1.264 57.687 56.400 0.037 0.000 0.800 65 E CB -0.053 29.642 29.700 -0.009 0.000 0.752 65 E HN 0.473 nan 8.360 nan 0.000 0.447 66 R N -0.441 120.103 120.500 0.073 0.000 2.091 66 R HA -0.116 4.272 4.340 0.081 0.000 0.238 66 R C 2.485 178.835 176.300 0.083 0.000 1.136 66 R CA 1.134 57.273 56.100 0.065 0.000 0.959 66 R CB -0.582 29.744 30.300 0.044 0.000 0.856 66 R HN 0.244 nan 8.270 nan 0.000 0.437 67 G N 0.662 109.523 108.800 0.101 0.000 2.446 67 G HA2 -0.267 3.741 3.960 0.081 0.000 0.217 67 G HA3 -0.267 3.741 3.960 0.081 0.000 0.217 67 G C 1.140 176.059 174.900 0.032 0.000 1.168 67 G CA 0.686 45.822 45.100 0.060 0.000 0.771 67 G HN 0.182 nan 8.290 nan 0.000 0.551 68 F N 1.726 121.668 119.950 -0.014 0.000 2.293 68 F HA 0.109 4.684 4.527 0.080 0.000 0.300 68 F C 2.950 178.742 175.800 -0.014 0.000 1.086 68 F CA 0.778 58.766 58.000 -0.020 0.000 1.375 68 F CB -0.153 38.821 39.000 -0.044 0.000 1.045 68 F HN 0.248 nan 8.300 nan 0.000 0.516 69 A N -0.299 122.611 122.820 0.150 0.000 1.898 69 A HA -0.160 4.208 4.320 0.081 0.000 0.216 69 A C 2.156 179.769 177.584 0.050 0.000 1.181 69 A CA 1.548 53.634 52.037 0.080 0.000 0.620 69 A CB -0.611 18.423 19.000 0.058 0.000 0.819 69 A HN 0.384 nan 8.150 nan 0.000 0.442 70 E N -0.188 120.039 120.200 0.044 0.000 2.051 70 E HA -0.126 4.272 4.350 0.081 0.000 0.192 70 E C 2.397 179.006 176.600 0.015 0.000 0.991 70 E CA 0.913 57.338 56.400 0.041 0.000 0.799 70 E CB -0.308 29.431 29.700 0.064 0.000 0.748 70 E HN 0.596 nan 8.360 nan 0.000 0.449 71 A N 1.646 124.449 122.820 -0.029 0.000 1.873 71 A HA -0.212 4.156 4.320 0.081 0.000 0.218 71 A C 2.165 179.740 177.584 -0.014 0.000 1.193 71 A CA 1.255 53.250 52.037 -0.070 0.000 0.629 71 A CB -0.650 18.218 19.000 -0.219 0.000 0.826 71 A HN 0.141 nan 8.150 nan 0.000 0.447 72 L N -0.802 120.424 121.223 0.005 0.000 2.046 72 L HA -0.184 4.204 4.340 0.081 0.000 0.208 72 L C 3.048 179.920 176.870 0.004 0.000 1.077 72 L CA 2.052 56.902 54.840 0.017 0.000 0.747 72 L CB -1.766 40.316 42.059 0.037 0.000 0.896 72 L HN 0.489 nan 8.230 nan 0.000 0.432 73 A N -1.279 121.545 122.820 0.006 0.000 1.933 73 A HA -0.257 4.112 4.320 0.081 0.000 0.218 73 A C 2.303 179.866 177.584 -0.034 0.000 1.175 73 A CA 1.668 53.699 52.037 -0.010 0.000 0.628 73 A CB -0.770 18.231 19.000 0.002 0.000 0.814 73 A HN 0.536 nan 8.150 nan 0.000 0.444 74 H N -0.495 118.486 119.070 -0.148 0.000 2.415 74 H HA 0.156 4.760 4.556 0.081 0.000 0.297 74 H C 1.696 176.932 175.328 -0.154 0.000 1.048 74 H CA 1.493 57.405 56.048 -0.227 0.000 1.365 74 H CB 0.028 29.506 29.762 -0.474 0.000 1.421 74 H HN 0.425 nan 8.280 nan 0.000 0.533 75 L N -1.150 120.091 121.223 0.031 0.000 2.253 75 L HA 0.161 4.549 4.340 0.081 0.000 0.205 75 L C 2.080 178.928 176.870 -0.037 0.000 1.078 75 L CA 0.763 55.609 54.840 0.010 0.000 0.805 75 L CB 0.129 42.216 42.059 0.046 0.000 0.963 75 L HN 0.495 nan 8.230 nan 0.000 0.459 76 G N 1.006 109.787 108.800 -0.032 0.000 2.225 76 G HA2 -0.290 3.718 3.960 0.081 0.000 0.254 76 G HA3 -0.290 3.718 3.960 0.081 0.000 0.254 76 G C 0.444 175.333 174.900 -0.019 0.000 0.988 76 G CA 0.552 45.632 45.100 -0.033 0.000 0.625 76 G HN 0.507 nan 8.290 nan 0.000 0.527 77 R N -1.526 118.968 120.500 -0.010 0.000 2.752 77 R HA 0.713 5.102 4.340 0.081 0.000 0.277 77 R C -2.160 174.142 176.300 0.004 0.000 1.024 77 R CA -1.093 55.004 56.100 -0.005 0.000 0.866 77 R CB 0.463 30.757 30.300 -0.011 0.000 1.278 77 R HN 0.435 nan 8.270 nan 0.000 0.473 78 L N 1.584 122.811 121.223 0.008 0.000 2.441 78 L HA 0.356 4.744 4.340 0.081 0.000 0.270 78 L C -0.382 176.491 176.870 0.006 0.000 0.973 78 L CA -0.540 54.310 54.840 0.015 0.000 0.842 78 L CB 2.159 44.247 42.059 0.048 0.000 1.239 78 L HN 0.796 nan 8.230 nan 0.000 0.406 79 D N 2.344 122.741 120.400 -0.004 0.000 2.338 79 D HA 0.187 4.875 4.640 0.081 0.000 0.208 79 D C 0.666 176.956 176.300 -0.016 0.000 0.997 79 D CA 0.525 54.516 54.000 -0.015 0.000 0.880 79 D CB 1.705 42.486 40.800 -0.031 0.000 0.980 79 D HN 0.633 nan 8.370 nan 0.000 0.509 80 G N -0.155 108.641 108.800 -0.007 0.000 2.632 80 G HA2 0.469 4.478 3.960 0.081 0.000 0.292 80 G HA3 0.469 4.478 3.960 0.081 0.000 0.292 80 G C -1.729 173.190 174.900 0.032 0.000 1.465 80 G CA -0.392 44.710 45.100 0.002 0.000 0.824 80 G HN -0.067 nan 8.290 nan 0.000 0.509 81 V N 0.007 119.946 119.914 0.042 0.000 2.760 81 V HA 0.659 4.827 4.120 0.081 0.000 0.309 81 V C -0.592 175.519 176.094 0.030 0.000 1.077 81 V CA -0.750 61.581 62.300 0.052 0.000 0.910 81 V CB 1.971 33.849 31.823 0.091 0.000 1.008 81 V HN 0.705 nan 8.190 nan 0.000 0.424 82 V N 3.375 123.285 119.914 -0.007 0.000 2.407 82 V HA 0.411 4.579 4.120 0.081 0.000 0.291 82 V C -0.782 175.152 176.094 -0.265 0.000 1.018 82 V CA -0.617 61.584 62.300 -0.166 0.000 0.842 82 V CB 1.486 33.172 31.823 -0.229 0.000 0.996 82 V HN 0.947 nan 8.190 nan 0.000 0.426 83 H N 3.763 122.622 119.070 -0.352 0.000 2.519 83 H HA 0.479 5.083 4.556 0.079 0.000 0.316 83 H C -0.428 174.715 175.328 -0.310 0.000 1.065 83 H CA -0.158 55.738 56.048 -0.253 0.000 1.264 83 H CB 0.854 30.551 29.762 -0.108 0.000 1.413 83 H HN 0.637 nan 8.280 nan 0.000 0.465 84 Y N 2.625 122.667 120.300 -0.430 0.000 2.526 84 Y HA 0.335 4.932 4.550 0.079 0.000 0.265 84 Y C 1.465 177.093 175.900 -0.452 0.000 1.092 84 Y CA -0.080 57.802 58.100 -0.363 0.000 1.277 84 Y CB 0.450 38.779 38.460 -0.219 0.000 1.228 84 Y HN 0.714 nan 8.280 nan 0.000 0.507 85 A N 1.896 124.480 122.820 -0.392 0.000 2.592 85 A HA 0.335 4.703 4.320 0.081 0.000 0.250 85 A C 0.710 178.171 177.584 -0.205 0.000 1.017 85 A CA 1.505 53.372 52.037 -0.284 0.000 0.794 85 A CB -0.962 17.949 19.000 -0.148 0.000 0.917 85 A HN 0.456 nan 8.150 nan 0.000 0.515 86 G N 1.010 109.729 108.800 -0.136 0.000 2.646 86 G HA2 0.649 4.657 3.960 0.081 0.000 0.291 86 G HA3 0.649 4.657 3.960 0.081 0.000 0.291 86 G C -0.825 174.058 174.900 -0.028 0.000 1.445 86 G CA -0.104 44.980 45.100 -0.027 0.000 0.814 86 G HN 1.665 nan 8.290 nan 0.000 0.495 87 I N -2.073 118.513 120.570 0.027 0.000 3.102 87 I HA 0.937 5.155 4.170 0.081 0.000 0.310 87 I C -0.416 175.667 176.117 -0.055 0.000 1.246 87 I CA -1.069 60.215 61.300 -0.027 0.000 0.979 87 I CB 2.457 40.447 38.000 -0.017 0.000 1.267 87 I HN 0.759 nan 8.210 nan 0.000 0.451 88 T N 0.581 115.047 114.554 -0.146 0.000 2.906 88 T HA 0.751 5.149 4.350 0.081 0.000 0.295 88 T C -0.512 174.124 174.700 -0.107 0.000 1.075 88 T CA -0.807 61.163 62.100 -0.216 0.000 1.005 88 T CB 2.195 70.804 68.868 -0.432 0.000 1.136 88 T HN 0.815 nan 8.240 nan 0.000 0.498 89 R N 1.304 121.760 120.500 -0.072 0.000 2.837 89 R HA 0.333 4.721 4.340 0.081 0.000 0.245 89 R C -1.349 174.929 176.300 -0.037 0.000 1.712 89 R CA -0.364 55.714 56.100 -0.037 0.000 1.539 89 R CB -0.016 30.285 30.300 0.001 0.000 1.490 89 R HN 0.721 nan 8.270 nan 0.000 0.667 90 D N 1.111 121.464 120.400 -0.078 0.000 2.382 90 D HA 0.269 4.958 4.640 0.081 0.000 0.240 90 D C -0.111 176.116 176.300 -0.122 0.000 1.146 90 D CA 0.595 54.531 54.000 -0.107 0.000 0.897 90 D CB 0.587 41.301 40.800 -0.144 0.000 1.197 90 D HN 0.267 nan 8.370 nan 0.000 0.432 91 N N -0.103 118.480 118.700 -0.195 0.000 4.919 91 N HA 0.017 4.805 4.740 0.081 0.000 0.180 91 N C -1.286 174.016 175.510 -0.347 0.000 1.062 91 N CA -0.532 52.376 53.050 -0.237 0.000 1.028 91 N CB 0.213 38.633 38.487 -0.110 0.000 1.574 91 N HN 0.130 nan 8.380 nan 0.000 0.679 92 F N 2.446 122.124 119.950 -0.452 0.000 2.496 92 F HA 0.054 4.629 4.527 0.080 0.000 0.344 92 F C 2.500 177.879 175.800 -0.703 0.000 1.155 92 F CA -0.012 57.524 58.000 -0.773 0.000 1.302 92 F CB 0.588 38.573 39.000 -1.692 0.000 1.159 92 F HN 0.566 nan 8.300 nan 0.000 0.595 93 H N 1.140 120.052 119.070 -0.264 0.000 2.353 93 H HA -0.258 4.347 4.556 0.082 0.000 0.298 93 H C 1.767 177.076 175.328 -0.032 0.000 1.103 93 H CA 2.081 58.076 56.048 -0.089 0.000 1.293 93 H CB -1.266 28.508 29.762 0.020 0.000 1.372 93 H HN 0.857 nan 8.280 nan 0.000 0.501 94 W N 2.499 123.555 121.300 -0.408 0.000 2.525 94 W HA 0.235 4.943 4.660 0.080 0.000 0.259 94 W C 0.397 176.887 176.519 -0.048 0.000 1.253 94 W CA -0.401 56.821 57.345 -0.204 0.000 1.262 94 W CB 0.063 29.347 29.460 -0.292 0.000 1.122 94 W HN -0.084 nan 8.180 nan 0.000 0.607 98 L N 1.252 122.536 121.223 0.100 0.000 2.064 98 L HA -0.294 4.095 4.340 0.081 0.000 0.216 98 L C 2.353 179.341 176.870 0.196 0.000 1.077 98 L CA 2.672 57.596 54.840 0.140 0.000 0.766 98 L CB -0.033 42.079 42.059 0.089 0.000 0.890 98 L HN 0.616 nan 8.230 nan 0.000 0.435 99 E N -0.843 119.435 120.200 0.130 0.000 2.097 99 E HA -0.290 4.108 4.350 0.081 0.000 0.196 99 E C 1.562 178.230 176.600 0.114 0.000 1.000 99 E CA 1.658 58.123 56.400 0.108 0.000 0.804 99 E CB -0.418 29.326 29.700 0.073 0.000 0.740 99 E HN 0.512 nan 8.360 nan 0.000 0.454 100 D N 0.088 120.562 120.400 0.123 0.000 2.178 100 D HA -0.133 4.556 4.640 0.081 0.000 0.202 100 D C 1.393 177.781 176.300 0.146 0.000 0.974 100 D CA 0.722 54.786 54.000 0.107 0.000 0.841 100 D CB -0.383 40.472 40.800 0.093 0.000 0.953 100 D HN 0.413 nan 8.370 nan 0.000 0.478 101 W N 2.082 123.399 121.300 0.028 0.000 2.407 101 W HA -0.115 4.591 4.660 0.077 0.000 0.305 101 W C 1.485 178.024 176.519 0.033 0.000 1.196 101 W CA 1.028 58.394 57.345 0.034 0.000 1.311 101 W CB -0.019 29.462 29.460 0.035 0.000 1.135 101 W HN -0.016 nan 8.180 nan 0.000 0.514 102 E N 0.641 120.927 120.200 0.143 0.000 2.150 102 E HA -0.236 4.162 4.350 0.081 0.000 0.193 102 E C 2.059 178.629 176.600 -0.051 0.000 0.985 102 E CA 1.198 57.613 56.400 0.025 0.000 0.814 102 E CB -0.438 29.345 29.700 0.137 0.000 0.752 102 E HN 0.182 nan 8.360 nan 0.000 0.466 103 L N 1.181 122.394 121.223 -0.018 0.000 2.005 103 L HA -0.135 4.254 4.340 0.081 0.000 0.207 103 L C 2.509 179.346 176.870 -0.055 0.000 1.072 103 L CA 1.418 56.246 54.840 -0.020 0.000 0.744 103 L CB -0.563 41.500 42.059 0.007 0.000 0.895 103 L HN 0.100 nan 8.230 nan 0.000 0.433 104 V N -2.394 117.471 119.914 -0.081 0.000 2.490 104 V HA -0.224 3.944 4.120 0.081 0.000 0.250 104 V C 2.329 178.337 176.094 -0.142 0.000 1.061 104 V CA 1.825 64.079 62.300 -0.078 0.000 1.064 104 V CB -0.878 30.918 31.823 -0.046 0.000 0.670 104 V HN 0.455 nan 8.190 nan 0.000 0.461 105 L N -0.241 120.819 121.223 -0.271 0.000 2.072 105 L HA -0.069 4.320 4.340 0.081 0.000 0.205 105 L C 3.026 179.812 176.870 -0.139 0.000 1.079 105 L CA 2.163 56.832 54.840 -0.285 0.000 0.752 105 L CB -0.568 41.233 42.059 -0.430 0.000 0.906 105 L HN 0.325 nan 8.230 nan 0.000 0.436 106 R N -0.165 120.277 120.500 -0.097 0.000 2.073 106 R HA -0.150 4.238 4.340 0.081 0.000 0.234 106 R C 2.188 178.483 176.300 -0.008 0.000 1.134 106 R CA 1.622 57.701 56.100 -0.037 0.000 0.952 106 R CB -0.147 30.143 30.300 -0.017 0.000 0.850 106 R HN 0.120 nan 8.270 nan 0.000 0.433 107 V N 1.605 121.514 119.914 -0.008 0.000 2.255 107 V HA -0.218 3.950 4.120 0.081 0.000 0.243 107 V C 1.885 178.005 176.094 0.042 0.000 1.038 107 V CA 1.933 64.246 62.300 0.021 0.000 1.008 107 V CB -0.526 31.306 31.823 0.015 0.000 0.645 107 V HN 0.427 nan 8.190 nan 0.000 0.449 108 N N -0.055 118.656 118.700 0.019 0.000 2.092 108 N HA -0.083 4.705 4.740 0.081 0.000 0.189 108 N C 1.609 177.133 175.510 0.022 0.000 1.040 108 N CA 1.252 54.320 53.050 0.030 0.000 0.845 108 N CB -0.521 37.967 38.487 0.002 0.000 1.017 108 N HN 0.287 nan 8.380 nan 0.000 0.426 109 L N 1.137 122.341 121.223 -0.031 0.000 2.034 109 L HA 0.051 4.440 4.340 0.081 0.000 0.203 109 L C 2.035 178.915 176.870 0.017 0.000 1.074 109 L CA 1.778 56.599 54.840 -0.032 0.000 0.748 109 L CB -1.297 40.709 42.059 -0.089 0.000 0.905 109 L HN 0.069 nan 8.230 nan 0.000 0.439 110 T N -0.380 114.181 114.554 0.011 0.000 2.788 110 T HA -0.108 4.290 4.350 0.081 0.000 0.268 110 T C 1.664 176.425 174.700 0.101 0.000 1.044 110 T CA 1.174 63.315 62.100 0.069 0.000 1.139 110 T CB -0.822 68.068 68.868 0.037 0.000 0.867 110 T HN 0.583 nan 8.240 nan 0.000 0.454 111 G N 0.742 109.583 108.800 0.069 0.000 2.422 111 G HA2 -0.185 3.823 3.960 0.081 0.000 0.218 111 G HA3 -0.185 3.823 3.960 0.081 0.000 0.218 111 G C 1.855 176.744 174.900 -0.018 0.000 1.146 111 G CA 1.014 46.155 45.100 0.069 0.000 0.769 111 G HN 0.491 nan 8.290 nan 0.000 0.547 112 S N -0.097 115.614 115.700 0.017 0.000 2.387 112 S HA 0.004 4.522 4.470 0.081 0.000 0.226 112 S C 1.819 176.345 174.600 -0.124 0.000 1.026 112 S CA 0.619 58.736 58.200 -0.139 0.000 0.972 112 S CB -0.267 62.955 63.200 0.035 0.000 0.814 112 S HN 0.412 nan 8.310 nan 0.000 0.477 113 F N 2.703 122.567 119.950 -0.143 0.000 2.102 113 F HA -0.036 4.538 4.527 0.079 0.000 0.298 113 F C 1.743 177.445 175.800 -0.164 0.000 1.105 113 F CA 1.198 59.118 58.000 -0.133 0.000 1.239 113 F CB -0.569 38.373 39.000 -0.096 0.000 0.991 113 F HN 0.084 nan 8.300 nan 0.000 0.474 114 L N -0.525 120.556 121.223 -0.237 0.000 2.012 114 L HA -0.253 4.135 4.340 0.081 0.000 0.210 114 L C 2.411 179.024 176.870 -0.427 0.000 1.073 114 L CA 1.430 56.062 54.840 -0.347 0.000 0.748 114 L CB -1.005 40.974 42.059 -0.134 0.000 0.891 114 L HN 0.039 nan 8.230 nan 0.000 0.431 115 V N -0.129 119.566 119.914 -0.366 0.000 2.358 115 V HA -0.245 3.924 4.120 0.081 0.000 0.246 115 V C 2.703 178.567 176.094 -0.384 0.000 1.047 115 V CA 1.705 63.794 62.300 -0.352 0.000 1.035 115 V CB -0.798 30.767 31.823 -0.430 0.000 0.658 115 V HN 0.473 nan 8.190 nan 0.000 0.452 116 A N -0.211 122.389 122.820 -0.367 0.000 1.902 116 A HA -0.248 4.121 4.320 0.081 0.000 0.217 116 A C 2.350 179.723 177.584 -0.350 0.000 1.181 116 A CA 2.108 53.977 52.037 -0.279 0.000 0.623 116 A CB -0.458 18.423 19.000 -0.200 0.000 0.818 116 A HN 0.515 nan 8.150 nan 0.000 0.443 117 K N -0.287 119.803 120.400 -0.517 0.000 2.057 117 K HA -0.085 4.284 4.320 0.081 0.000 0.207 117 K C 2.167 178.462 176.600 -0.509 0.000 1.049 117 K CA 1.225 57.179 56.287 -0.555 0.000 0.931 117 K CB -0.324 31.670 32.500 -0.844 0.000 0.714 117 K HN 0.355 nan 8.250 nan 0.000 0.440 118 A N 1.157 123.570 122.820 -0.680 0.000 1.873 118 A HA -0.079 4.289 4.320 0.081 0.000 0.215 118 A C 2.357 179.486 177.584 -0.758 0.000 1.186 118 A CA 1.827 53.303 52.037 -0.936 0.000 0.616 118 A CB -0.892 17.023 19.000 -1.809 0.000 0.823 118 A HN 0.482 nan 8.150 nan 0.000 0.442 119 A N -0.581 121.894 122.820 -0.575 0.000 1.892 119 A HA -0.185 4.183 4.320 0.081 0.000 0.218 119 A C 2.527 180.045 177.584 -0.110 0.000 1.188 119 A CA 2.503 54.493 52.037 -0.077 0.000 0.631 119 A CB -1.168 17.847 19.000 0.024 0.000 0.822 119 A HN 0.644 nan 8.150 nan 0.000 0.447 120 S N -0.984 114.609 115.700 -0.178 0.000 2.359 120 S HA -0.221 4.298 4.470 0.081 0.000 0.224 120 S C 2.083 176.575 174.600 -0.180 0.000 1.035 120 S CA 1.702 59.807 58.200 -0.157 0.000 1.018 120 S CB -0.422 62.677 63.200 -0.168 0.000 0.876 120 S HN 0.559 nan 8.310 nan 0.000 0.448 121 E N 1.189 121.259 120.200 -0.217 0.000 2.118 121 E HA -0.050 4.348 4.350 0.081 0.000 0.195 121 E C 1.055 177.567 176.600 -0.147 0.000 0.992 121 E CA 0.870 57.151 56.400 -0.199 0.000 0.804 121 E CB -0.485 29.084 29.700 -0.218 0.000 0.741 121 E HN 0.612 nan 8.360 nan 0.000 0.458 125 E N 0.907 120.844 120.200 -0.437 0.000 3.801 125 E HA -0.298 4.100 4.350 0.081 0.000 0.319 125 E C 0.010 176.550 176.600 -0.101 0.000 0.784 125 E CA 1.475 57.703 56.400 -0.287 0.000 1.183 125 E CB -0.391 29.051 29.700 -0.431 0.000 1.601 125 E HN 0.513 nan 8.360 nan 0.000 0.441 126 K N 0.297 120.650 120.400 -0.079 0.000 2.325 126 K HA 0.169 4.537 4.320 0.081 0.000 0.203 126 K C 0.461 177.059 176.600 -0.004 0.000 1.128 126 K CA 1.137 57.401 56.287 -0.039 0.000 0.931 126 K CB 0.458 32.927 32.500 -0.051 0.000 1.125 126 K HN 0.365 nan 8.250 nan 0.000 0.487 127 N N -0.089 118.614 118.700 0.004 0.000 3.043 127 N HA 0.213 5.001 4.740 0.081 0.000 0.243 127 N C -3.152 172.379 175.510 0.035 0.000 1.347 127 N CA -1.202 51.862 53.050 0.022 0.000 0.896 127 N CB 1.528 40.019 38.487 0.007 0.000 1.501 127 N HN -0.250 nan 8.380 nan 0.000 0.504 128 P HA 0.431 nan 4.420 nan 0.000 0.274 128 P C -0.028 177.285 177.300 0.023 0.000 1.260 128 P CA 0.284 63.413 63.100 0.048 0.000 0.793 128 P CB 0.732 32.457 31.700 0.042 0.000 1.048 129 G N -1.431 107.381 108.800 0.018 0.000 2.430 129 G HA2 0.448 4.457 3.960 0.081 0.000 0.300 129 G HA3 0.448 4.457 3.960 0.081 0.000 0.300 129 G C -1.851 173.045 174.900 -0.006 0.000 1.330 129 G CA -0.324 44.776 45.100 0.001 0.000 0.813 129 G HN 0.591 nan 8.290 nan 0.000 0.487 130 S N -0.838 114.853 115.700 -0.015 0.000 2.571 130 S HA 0.745 5.264 4.470 0.081 0.000 0.284 130 S C -0.936 173.657 174.600 -0.012 0.000 1.128 130 S CA -0.627 57.559 58.200 -0.022 0.000 0.970 130 S CB 0.816 63.991 63.200 -0.042 0.000 1.039 130 S HN 0.559 nan 8.310 nan 0.000 0.485 131 I N 4.143 124.705 120.570 -0.014 0.000 2.433 131 I HA 0.502 4.720 4.170 0.081 0.000 0.292 131 I C -0.968 175.139 176.117 -0.017 0.000 1.001 131 I CA -0.912 60.381 61.300 -0.011 0.000 1.119 131 I CB 2.130 40.117 38.000 -0.021 0.000 1.289 131 I HN 0.309 nan 8.210 nan 0.000 0.438 132 V N 7.284 127.188 119.914 -0.015 0.000 2.376 132 V HA 0.425 4.593 4.120 0.081 0.000 0.287 132 V C -0.050 176.021 176.094 -0.038 0.000 1.015 132 V CA -0.492 61.792 62.300 -0.026 0.000 0.834 132 V CB 1.611 33.422 31.823 -0.019 0.000 1.001 132 V HN 0.480 nan 8.190 nan 0.000 0.428 133 L N 3.722 124.931 121.223 -0.023 0.000 2.322 133 L HA 0.600 4.988 4.340 0.081 0.000 0.279 133 L C 0.283 177.146 176.870 -0.012 0.000 1.036 133 L CA -0.313 54.534 54.840 0.012 0.000 0.807 133 L CB 1.936 43.999 42.059 0.007 0.000 1.226 133 L HN 0.506 nan 8.230 nan 0.000 0.433 134 T N 2.046 116.604 114.554 0.007 0.000 2.743 134 T HA 0.539 4.937 4.350 0.081 0.000 0.292 134 T C 0.394 175.093 174.700 -0.001 0.000 0.972 134 T CA -0.333 61.780 62.100 0.021 0.000 0.967 134 T CB 1.682 70.617 68.868 0.112 0.000 0.926 134 T HN 0.754 nan 8.240 nan 0.000 0.459 135 A N 3.110 125.904 122.820 -0.042 0.000 3.748 135 A HA 0.945 5.313 4.320 0.081 0.000 0.180 135 A C 0.535 178.101 177.584 -0.030 0.000 1.758 135 A CA -0.352 51.630 52.037 -0.091 0.000 1.736 135 A CB 0.197 19.089 19.000 -0.180 0.000 1.559 135 A HN 0.866 nan 8.150 nan 0.000 0.575 136 S N -2.579 113.128 115.700 0.012 0.000 2.614 136 S HA 0.271 4.789 4.470 0.081 0.000 0.280 136 S C 0.530 175.266 174.600 0.226 0.000 1.111 136 S CA 0.238 58.508 58.200 0.116 0.000 0.847 136 S CB 0.821 64.095 63.200 0.124 0.000 1.079 136 S HN 0.965 nan 8.310 nan 0.000 0.452 137 R N 2.102 122.766 120.500 0.274 0.000 2.200 137 R HA -0.016 4.372 4.340 0.081 0.000 0.234 137 R C 1.057 177.485 176.300 0.213 0.000 1.127 137 R CA 2.255 58.574 56.100 0.364 0.000 0.989 137 R CB -1.036 29.456 30.300 0.321 0.000 0.869 137 R HN 0.532 nan 8.270 nan 0.000 0.459 138 V N 1.985 122.013 119.914 0.191 0.000 3.305 138 V HA -0.174 3.995 4.120 0.081 0.000 0.269 138 V C 1.852 177.993 176.094 0.079 0.000 1.157 138 V CA 1.226 63.610 62.300 0.141 0.000 1.157 138 V CB -1.157 30.823 31.823 0.262 0.000 0.772 138 V HN 0.483 nan 8.190 nan 0.000 0.498 139 Y N -0.086 120.222 120.300 0.013 0.000 2.483 139 Y HA -0.055 4.524 4.550 0.048 0.000 0.291 139 Y C 1.651 177.576 175.900 0.043 0.000 1.143 139 Y CA 1.134 59.222 58.100 -0.021 0.000 1.289 139 Y CB -0.599 37.832 38.460 -0.049 0.000 0.983 139 Y HN 0.260 nan 8.280 nan 0.000 0.556 140 L N 1.196 122.148 121.223 -0.451 0.000 2.599 140 L HA 0.308 4.696 4.340 0.081 0.000 0.230 140 L C 0.819 177.618 176.870 -0.118 0.000 1.141 140 L CA 0.399 55.004 54.840 -0.392 0.000 0.877 140 L CB -0.801 41.032 42.059 -0.378 0.000 1.009 140 L HN 0.554 nan 8.230 nan 0.000 0.447 141 G N 0.752 109.531 108.800 -0.034 0.000 2.911 141 G HA2 -0.146 3.862 3.960 0.081 0.000 0.686 141 G HA3 -0.146 3.862 3.960 0.081 0.000 0.686 141 G C -1.228 173.693 174.900 0.034 0.000 1.136 141 G CA -0.812 44.301 45.100 0.021 0.000 0.764 141 G HN 0.237 nan 8.290 nan 0.000 0.626 142 N N 0.139 118.875 118.700 0.060 0.000 2.431 142 N HA 0.470 5.258 4.740 0.081 0.000 0.275 142 N C 0.064 175.599 175.510 0.041 0.000 1.091 142 N CA -0.864 52.219 53.050 0.055 0.000 0.922 142 N CB 1.372 39.904 38.487 0.075 0.000 1.666 142 N HN 0.701 nan 8.380 nan 0.000 0.484 143 L N 2.247 123.487 121.223 0.028 0.000 2.615 143 L HA 0.114 4.502 4.340 0.081 0.000 0.284 143 L C 1.527 178.287 176.870 -0.182 0.000 1.237 143 L CA 1.174 56.007 54.840 -0.010 0.000 0.905 143 L CB -0.126 41.952 42.059 0.032 0.000 1.149 143 L HN 1.005 nan 8.230 nan 0.000 0.499 144 G N 2.892 111.486 108.800 -0.343 0.000 2.187 144 G HA2 -0.303 3.705 3.960 0.081 0.000 0.261 144 G HA3 -0.303 3.705 3.960 0.081 0.000 0.261 144 G C 0.438 175.216 174.900 -0.203 0.000 1.000 144 G CA 0.336 45.127 45.100 -0.515 0.000 0.718 144 G HN 0.745 nan 8.290 nan 0.000 0.519 145 Q N -1.205 118.567 119.800 -0.047 0.000 2.366 145 Q HA 0.598 4.987 4.340 0.081 0.000 0.356 145 Q C 1.724 177.811 176.000 0.145 0.000 0.866 145 Q CA 0.199 56.041 55.803 0.065 0.000 1.109 145 Q CB 0.840 29.648 28.738 0.116 0.000 1.361 145 Q HN 0.520 nan 8.270 nan 0.000 0.404 146 A N 1.661 124.582 122.820 0.167 0.000 1.908 146 A HA -0.261 4.108 4.320 0.081 0.000 0.218 146 A C 1.904 179.713 177.584 0.376 0.000 1.181 146 A CA 2.228 54.425 52.037 0.265 0.000 0.627 146 A CB -0.315 18.854 19.000 0.281 0.000 0.818 146 A HN 0.592 nan 8.150 nan 0.000 0.445 147 N N -1.314 117.592 118.700 0.344 0.000 2.106 147 N HA -0.199 4.590 4.740 0.081 0.000 0.188 147 N C 1.688 177.183 175.510 -0.024 0.000 1.029 147 N CA 1.902 54.986 53.050 0.057 0.000 0.848 147 N CB -0.987 37.551 38.487 0.084 0.000 1.007 147 N HN 0.479 nan 8.380 nan 0.000 0.423 148 Y N 1.395 121.671 120.300 -0.040 0.000 2.145 148 Y HA 0.022 4.623 4.550 0.085 0.000 0.286 148 Y C 2.693 178.592 175.900 -0.001 0.000 1.145 148 Y CA 1.586 59.663 58.100 -0.038 0.000 1.148 148 Y CB -0.847 37.606 38.460 -0.012 0.000 0.981 148 Y HN 0.194 nan 8.280 nan 0.000 0.507 149 A N 0.266 123.116 122.820 0.050 0.000 1.883 149 A HA -0.170 4.198 4.320 0.081 0.000 0.217 149 A C 2.470 180.057 177.584 0.005 0.000 1.186 149 A CA 2.291 54.338 52.037 0.016 0.000 0.624 149 A CB -1.537 17.520 19.000 0.094 0.000 0.822 149 A HN 0.571 nan 8.150 nan 0.000 0.444 150 A N 0.163 123.000 122.820 0.028 0.000 1.902 150 A HA 0.073 4.442 4.320 0.081 0.000 0.217 150 A C 1.930 179.459 177.584 -0.092 0.000 1.181 150 A CA 1.592 53.644 52.037 0.024 0.000 0.623 150 A CB -1.145 17.919 19.000 0.106 0.000 0.818 150 A HN 0.970 nan 8.150 nan 0.000 0.443 154 G N 0.288 109.036 108.800 -0.086 0.000 2.408 154 G HA2 0.073 4.082 3.960 0.081 0.000 0.217 154 G HA3 0.073 4.082 3.960 0.081 0.000 0.217 154 G C 1.412 176.249 174.900 -0.106 0.000 1.150 154 G CA 1.693 46.743 45.100 -0.083 0.000 0.776 154 G HN 0.516 nan 8.290 nan 0.000 0.542 155 V N 0.649 120.486 119.914 -0.129 0.000 2.343 155 V HA -0.169 4.000 4.120 0.081 0.000 0.247 155 V C 3.030 179.027 176.094 -0.161 0.000 1.051 155 V CA 1.453 63.683 62.300 -0.117 0.000 1.036 155 V CB -0.285 31.473 31.823 -0.109 0.000 0.654 155 V HN 0.251 nan 8.190 nan 0.000 0.451 156 V N 0.944 120.694 119.914 -0.273 0.000 2.343 156 V HA -0.195 3.973 4.120 0.081 0.000 0.247 156 V C 2.619 178.594 176.094 -0.199 0.000 1.051 156 V CA 2.211 64.310 62.300 -0.336 0.000 1.036 156 V CB -1.407 30.008 31.823 -0.680 0.000 0.654 156 V HN 0.612 nan 8.190 nan 0.000 0.451 157 G N -0.160 108.548 108.800 -0.153 0.000 2.408 157 G HA2 -0.222 3.787 3.960 0.081 0.000 0.217 157 G HA3 -0.222 3.787 3.960 0.081 0.000 0.217 157 G C 1.570 176.432 174.900 -0.063 0.000 1.150 157 G CA 1.048 46.096 45.100 -0.086 0.000 0.776 157 G HN 0.463 nan 8.290 nan 0.000 0.542 158 L N 0.983 122.169 121.223 -0.063 0.000 2.027 158 L HA 0.028 4.416 4.340 0.081 0.000 0.206 158 L C 2.781 179.636 176.870 -0.026 0.000 1.074 158 L CA 2.665 57.489 54.840 -0.027 0.000 0.745 158 L CB -1.139 40.917 42.059 -0.005 0.000 0.898 158 L HN 0.147 nan 8.230 nan 0.000 0.433 159 T N -0.036 114.485 114.554 -0.054 0.000 2.635 159 T HA -0.229 4.169 4.350 0.081 0.000 0.267 159 T C 1.989 176.662 174.700 -0.045 0.000 1.040 159 T CA 2.030 64.098 62.100 -0.054 0.000 1.156 159 T CB -0.275 68.543 68.868 -0.083 0.000 0.863 159 T HN 0.368 nan 8.240 nan 0.000 0.430 160 R N 0.409 120.876 120.500 -0.054 0.000 2.091 160 R HA -0.089 4.299 4.340 0.081 0.000 0.238 160 R C 2.758 179.043 176.300 -0.025 0.000 1.136 160 R CA 1.752 57.827 56.100 -0.041 0.000 0.959 160 R CB -0.657 29.618 30.300 -0.043 0.000 0.856 160 R HN 0.349 nan 8.270 nan 0.000 0.437 161 T N 1.155 115.698 114.554 -0.018 0.000 2.770 161 T HA -0.068 4.330 4.350 0.081 0.000 0.263 161 T C 1.653 176.358 174.700 0.007 0.000 1.039 161 T CA 0.768 62.866 62.100 -0.003 0.000 1.142 161 T CB -0.120 68.749 68.868 0.002 0.000 0.868 161 T HN -0.011 nan 8.240 nan 0.000 0.435 162 L N 1.322 122.550 121.223 0.008 0.000 2.079 162 L HA 0.040 4.428 4.340 0.081 0.000 0.210 162 L C 2.713 179.590 176.870 0.011 0.000 1.081 162 L CA 1.355 56.203 54.840 0.013 0.000 0.752 162 L CB -1.224 40.836 42.059 0.001 0.000 0.896 162 L HN 0.255 nan 8.230 nan 0.000 0.433 163 A N -1.248 121.568 122.820 -0.007 0.000 1.969 163 A HA -0.111 4.258 4.320 0.081 0.000 0.218 163 A C 2.300 179.878 177.584 -0.009 0.000 1.169 163 A CA 1.212 53.240 52.037 -0.014 0.000 0.635 163 A CB -0.542 18.437 19.000 -0.034 0.000 0.810 163 A HN 0.390 nan 8.150 nan 0.000 0.445 164 L N -0.728 120.491 121.223 -0.007 0.000 2.109 164 L HA -0.154 4.234 4.340 0.081 0.000 0.207 164 L C 2.492 179.369 176.870 0.011 0.000 1.086 164 L CA 1.435 56.270 54.840 -0.008 0.000 0.760 164 L CB -0.454 41.601 42.059 -0.007 0.000 0.910 164 L HN 0.464 nan 8.230 nan 0.000 0.437 165 E N -0.100 120.124 120.200 0.039 0.000 2.216 165 E HA -0.092 4.306 4.350 0.081 0.000 0.192 165 E C 2.059 178.759 176.600 0.167 0.000 0.988 165 E CA 0.778 57.228 56.400 0.084 0.000 0.834 165 E CB 0.134 29.884 29.700 0.084 0.000 0.772 165 E HN 0.490 nan 8.360 nan 0.000 0.479 166 L N 0.057 121.369 121.223 0.148 0.000 2.554 166 L HA 0.180 4.568 4.340 0.081 0.000 0.225 166 L C 2.320 179.288 176.870 0.163 0.000 1.104 166 L CA 0.093 55.083 54.840 0.250 0.000 0.866 166 L CB -0.133 42.012 42.059 0.142 0.000 1.047 166 L HN 0.156 nan 8.230 nan 0.000 0.468 167 G N 2.157 110.984 108.800 0.045 0.000 2.529 167 G HA2 -0.332 3.676 3.960 0.081 0.000 0.219 167 G HA3 -0.332 3.676 3.960 0.081 0.000 0.219 167 G C 1.607 176.471 174.900 -0.059 0.000 1.177 167 G CA 1.246 46.336 45.100 -0.016 0.000 0.773 167 G HN 0.534 nan 8.290 nan 0.000 0.573 168 R N -0.883 119.511 120.500 -0.177 0.000 2.285 168 R HA 0.000 4.388 4.340 0.081 0.000 0.213 168 R C 1.473 177.549 176.300 -0.373 0.000 1.068 168 R CA 0.983 56.887 56.100 -0.328 0.000 1.004 168 R CB -0.443 29.554 30.300 -0.504 0.000 0.873 168 R HN 0.548 nan 8.270 nan 0.000 0.467 169 W N 0.829 122.120 121.300 -0.014 0.000 3.325 169 W HA 0.389 5.097 4.660 0.079 0.000 0.370 169 W C 0.828 177.339 176.519 -0.014 0.000 1.169 169 W CA 0.011 57.348 57.345 -0.014 0.000 1.874 169 W CB 0.570 30.018 29.460 -0.020 0.000 1.076 169 W HN 0.329 nan 8.180 nan 0.000 0.684 170 G N 1.298 110.176 108.800 0.130 0.000 2.168 170 G HA2 -0.336 3.672 3.960 0.081 0.000 0.257 170 G HA3 -0.336 3.672 3.960 0.081 0.000 0.257 170 G C -0.063 174.886 174.900 0.081 0.000 0.997 170 G CA -0.036 45.116 45.100 0.087 0.000 0.708 170 G HN 0.310 nan 8.290 nan 0.000 0.520 171 I N 0.600 121.232 120.570 0.102 0.000 2.339 171 I HA 0.414 4.633 4.170 0.081 0.000 0.290 171 I C 0.747 176.883 176.117 0.031 0.000 0.994 171 I CA -0.809 60.530 61.300 0.064 0.000 1.191 171 I CB 1.165 39.212 38.000 0.078 0.000 1.343 171 I HN 0.010 nan 8.210 nan 0.000 0.458 172 R N 5.018 125.519 120.500 0.002 0.000 2.428 172 R HA 0.735 5.123 4.340 0.081 0.000 0.294 172 R C -1.126 175.160 176.300 -0.024 0.000 1.000 172 R CA -0.792 55.295 56.100 -0.021 0.000 0.960 172 R CB 2.110 32.386 30.300 -0.040 0.000 1.076 172 R HN 0.327 nan 8.270 nan 0.000 0.475 173 V N 3.008 122.904 119.914 -0.030 0.000 2.525 173 V HA 0.408 4.576 4.120 0.081 0.000 0.299 173 V C -0.535 175.536 176.094 -0.039 0.000 1.034 173 V CA -0.935 61.346 62.300 -0.031 0.000 0.863 173 V CB 1.681 33.487 31.823 -0.028 0.000 0.999 173 V HN 0.794 nan 8.190 nan 0.000 0.423 174 N N 1.708 120.387 118.700 -0.036 0.000 2.455 174 N HA 0.640 5.429 4.740 0.081 0.000 0.278 174 N C -1.022 174.462 175.510 -0.042 0.000 1.291 174 N CA -0.548 52.480 53.050 -0.036 0.000 0.780 174 N CB 2.773 41.249 38.487 -0.018 0.000 1.520 174 N HN 0.616 nan 8.380 nan 0.000 0.486 175 T N 0.730 115.247 114.554 -0.061 0.000 2.841 175 T HA 0.524 4.922 4.350 0.081 0.000 0.283 175 T C 0.117 174.771 174.700 -0.076 0.000 1.000 175 T CA -0.557 61.493 62.100 -0.083 0.000 0.977 175 T CB 1.376 70.151 68.868 -0.154 0.000 0.979 175 T HN 0.171 nan 8.240 nan 0.000 0.446 176 L N 2.056 123.255 121.223 -0.040 0.000 2.325 176 L HA 0.717 5.105 4.340 0.081 0.000 0.279 176 L C 0.239 177.080 176.870 -0.049 0.000 1.054 176 L CA -0.948 53.888 54.840 -0.006 0.000 0.804 176 L CB 1.309 43.419 42.059 0.085 0.000 1.200 176 L HN 0.827 nan 8.230 nan 0.000 0.436 177 A N 4.647 127.416 122.820 -0.085 0.000 2.978 177 A HA 0.529 4.897 4.320 0.081 0.000 0.341 177 A C -2.493 175.144 177.584 0.088 0.000 1.105 177 A CA -1.339 50.656 52.037 -0.069 0.000 0.819 177 A CB -0.098 18.681 19.000 -0.369 0.000 1.080 177 A HN 0.340 nan 8.150 nan 0.000 0.476 178 P HA 0.261 nan 4.420 nan 0.000 0.272 178 P C 0.612 178.013 177.300 0.168 0.000 1.223 178 P CA 0.460 63.638 63.100 0.130 0.000 0.784 178 P CB 1.533 33.284 31.700 0.084 0.000 0.923 179 G N 1.151 110.051 108.800 0.168 0.000 3.365 179 G HA2 0.212 4.220 3.960 0.081 0.000 0.185 179 G HA3 0.212 4.220 3.960 0.081 0.000 0.185 179 G C -0.996 174.025 174.900 0.201 0.000 1.565 179 G CA -0.374 44.844 45.100 0.196 0.000 0.984 179 G HN 0.447 nan 8.290 nan 0.000 0.604 180 F N 1.957 121.937 119.950 0.051 0.000 2.439 180 F HA 0.452 5.026 4.527 0.078 0.000 0.356 180 F C -0.386 175.426 175.800 0.019 0.000 1.161 180 F CA -1.362 56.655 58.000 0.028 0.000 1.151 180 F CB 0.161 39.173 39.000 0.020 0.000 1.222 180 F HN -0.143 nan 8.300 nan 0.000 0.558 181 I N 4.802 125.176 120.570 -0.326 0.000 2.354 181 I HA 0.152 4.371 4.170 0.081 0.000 0.292 181 I C -0.006 175.831 176.117 -0.466 0.000 0.989 181 I CA -0.881 60.244 61.300 -0.293 0.000 1.188 181 I CB 1.304 39.205 38.000 -0.165 0.000 1.342 181 I HN 0.432 nan 8.210 nan 0.000 0.457 182 E N 4.752 124.740 120.200 -0.353 0.000 2.081 182 E HA 0.154 4.553 4.350 0.081 0.000 0.270 182 E C 0.510 176.988 176.600 -0.202 0.000 1.180 182 E CA 0.081 56.302 56.400 -0.298 0.000 0.926 182 E CB 0.409 30.016 29.700 -0.154 0.000 1.035 182 E HN 0.806 nan 8.360 nan 0.000 0.418 183 T N 1.416 115.846 114.554 -0.207 0.000 1.850 183 T HA 0.513 4.912 4.350 0.081 0.000 0.176 183 T C 0.370 175.001 174.700 -0.114 0.000 0.702 183 T CA -0.545 61.467 62.100 -0.146 0.000 1.184 183 T CB 0.461 69.244 68.868 -0.143 0.000 3.221 183 T HN 0.306 nan 8.240 nan 0.000 0.405 187 A N 2.462 125.253 122.820 -0.048 0.000 1.940 187 A HA -0.050 4.318 4.320 0.081 0.000 0.221 187 A C 1.708 179.296 177.584 0.006 0.000 1.190 187 A CA 1.800 53.822 52.037 -0.024 0.000 0.647 187 A CB -0.560 18.420 19.000 -0.034 0.000 0.821 187 A HN 0.611 nan 8.150 nan 0.000 0.457 188 K N -0.663 119.741 120.400 0.006 0.000 3.010 188 K HA 0.388 4.757 4.320 0.081 0.000 0.211 188 K C -0.699 175.916 176.600 0.026 0.000 1.146 188 K CA -0.304 55.992 56.287 0.015 0.000 1.070 188 K CB 0.988 33.490 32.500 0.003 0.000 0.908 188 K HN 0.198 nan 8.250 nan 0.000 0.463 189 V N 3.244 123.189 119.914 0.052 0.000 2.686 189 V HA 0.132 4.300 4.120 0.081 0.000 0.295 189 V C -2.009 174.115 176.094 0.049 0.000 1.055 189 V CA -1.951 60.386 62.300 0.062 0.000 1.050 189 V CB 0.716 32.617 31.823 0.130 0.000 0.984 189 V HN 0.325 nan 8.190 nan 0.000 0.482 190 P HA -0.005 nan 4.420 nan 0.000 0.261 190 P C 0.429 177.738 177.300 0.015 0.000 1.183 190 P CA 0.242 63.353 63.100 0.019 0.000 0.761 190 P CB 0.709 32.416 31.700 0.012 0.000 0.785 191 E N 4.033 124.241 120.200 0.014 0.000 2.236 191 E HA -0.250 4.148 4.350 0.081 0.000 0.205 191 E C 1.372 177.966 176.600 -0.011 0.000 1.028 191 E CA 1.884 58.289 56.400 0.007 0.000 0.827 191 E CB -0.301 29.403 29.700 0.007 0.000 0.735 191 E HN 0.455 nan 8.360 nan 0.000 0.470 192 K N -0.946 119.448 120.400 -0.011 0.000 2.288 192 K HA -0.009 4.360 4.320 0.081 0.000 0.201 192 K C 1.978 178.554 176.600 -0.040 0.000 1.048 192 K CA 0.856 57.131 56.287 -0.020 0.000 0.956 192 K CB 0.208 32.703 32.500 -0.008 0.000 0.746 192 K HN 0.032 nan 8.250 nan 0.000 0.461 193 V N 1.291 121.181 119.914 -0.040 0.000 2.302 193 V HA -0.187 3.981 4.120 0.081 0.000 0.243 193 V C 2.379 178.380 176.094 -0.155 0.000 1.036 193 V CA 1.517 63.777 62.300 -0.067 0.000 1.020 193 V CB -0.388 31.420 31.823 -0.024 0.000 0.657 193 V HN 0.302 nan 8.190 nan 0.000 0.453 194 R N 0.383 120.808 120.500 -0.125 0.000 2.105 194 R HA -0.259 4.129 4.340 0.081 0.000 0.239 194 R C 2.234 178.386 176.300 -0.247 0.000 1.135 194 R CA 2.320 58.284 56.100 -0.227 0.000 0.967 194 R CB -0.272 30.028 30.300 -0.001 0.000 0.861 194 R HN 0.699 nan 8.270 nan 0.000 0.442 195 E N 0.264 120.383 120.200 -0.134 0.000 2.107 195 E HA -0.217 4.181 4.350 0.081 0.000 0.191 195 E C 1.805 178.332 176.600 -0.123 0.000 0.982 195 E CA 1.097 57.435 56.400 -0.103 0.000 0.809 195 E CB 0.058 29.724 29.700 -0.056 0.000 0.756 195 E HN 0.110 nan 8.360 nan 0.000 0.459 196 K N 1.119 121.442 120.400 -0.128 0.000 1.991 196 K HA -0.120 4.248 4.320 0.081 0.000 0.212 196 K C 1.875 178.384 176.600 -0.151 0.000 1.049 196 K CA 1.907 58.127 56.287 -0.112 0.000 0.932 196 K CB -0.796 31.650 32.500 -0.090 0.000 0.717 196 K HN 0.176 nan 8.250 nan 0.000 0.441 197 A N 0.597 123.261 122.820 -0.259 0.000 1.908 197 A HA -0.117 4.251 4.320 0.081 0.000 0.218 197 A C 2.347 179.788 177.584 -0.239 0.000 1.181 197 A CA 1.881 53.732 52.037 -0.311 0.000 0.627 197 A CB -0.722 17.890 19.000 -0.648 0.000 0.818 197 A HN 0.399 nan 8.150 nan 0.000 0.445 198 I N -0.469 119.953 120.570 -0.245 0.000 2.315 198 I HA -0.220 3.998 4.170 0.081 0.000 0.248 198 I C 2.844 178.918 176.117 -0.072 0.000 1.117 198 I CA 0.901 62.126 61.300 -0.125 0.000 1.404 198 I CB -0.272 37.671 38.000 -0.095 0.000 1.071 198 I HN 0.353 nan 8.210 nan 0.000 0.419 199 A N 0.612 123.386 122.820 -0.076 0.000 2.015 199 A HA 0.017 4.385 4.320 0.081 0.000 0.219 199 A C 2.290 179.850 177.584 -0.041 0.000 1.163 199 A CA 1.535 53.543 52.037 -0.049 0.000 0.646 199 A CB -0.457 18.515 19.000 -0.046 0.000 0.806 199 A HN 0.415 nan 8.150 nan 0.000 0.448 200 A N -1.120 121.669 122.820 -0.051 0.000 2.275 200 A HA 0.348 4.716 4.320 0.081 0.000 0.212 200 A C 0.724 178.290 177.584 -0.029 0.000 1.201 200 A CA 0.528 52.542 52.037 -0.039 0.000 0.843 200 A CB -0.201 18.774 19.000 -0.042 0.000 0.873 200 A HN 0.223 nan 8.150 nan 0.000 0.492 201 T N 1.497 116.035 114.554 -0.026 0.000 2.770 201 T HA 0.361 4.759 4.350 0.081 0.000 0.297 201 T C -2.029 172.669 174.700 -0.003 0.000 0.997 201 T CA -1.012 61.084 62.100 -0.006 0.000 0.949 201 T CB 1.638 70.513 68.868 0.011 0.000 0.941 201 T HN 0.001 nan 8.240 nan 0.000 0.457 202 P HA -0.040 nan 4.420 nan 0.000 0.216 202 P C 1.223 178.526 177.300 0.004 0.000 1.150 202 P CA 0.940 64.038 63.100 -0.004 0.000 0.843 202 P CB 0.109 31.804 31.700 -0.007 0.000 0.787 203 L N -2.214 119.016 121.223 0.013 0.000 2.610 203 L HA 0.123 4.511 4.340 0.081 0.000 0.232 203 L C 1.320 178.202 176.870 0.020 0.000 1.149 203 L CA 0.535 55.386 54.840 0.018 0.000 0.872 203 L CB -1.340 40.735 42.059 0.027 0.000 0.992 203 L HN 0.131 nan 8.230 nan 0.000 0.447 204 G N 2.023 110.832 108.800 0.015 0.000 2.321 204 G HA2 -0.312 3.696 3.960 0.081 0.000 0.287 204 G HA3 -0.312 3.696 3.960 0.081 0.000 0.287 204 G C 0.296 175.211 174.900 0.025 0.000 1.018 204 G CA 0.977 46.084 45.100 0.012 0.000 0.855 204 G HN 0.652 nan 8.290 nan 0.000 0.507 205 R N -2.381 118.147 120.500 0.046 0.000 2.741 205 R HA 0.801 5.190 4.340 0.081 0.000 0.274 205 R C -0.127 176.255 176.300 0.136 0.000 1.029 205 R CA -0.548 55.597 56.100 0.075 0.000 0.880 205 R CB 0.311 30.648 30.300 0.062 0.000 1.264 205 R HN 1.062 nan 8.270 nan 0.000 0.465 206 A N 0.590 123.528 122.820 0.198 0.000 2.304 206 A HA 0.665 5.033 4.320 0.081 0.000 0.271 206 A C 0.353 178.018 177.584 0.135 0.000 1.091 206 A CA 0.021 52.245 52.037 0.312 0.000 0.812 206 A CB 0.590 19.800 19.000 0.349 0.000 1.056 206 A HN 0.820 nan 8.150 nan 0.000 0.489 207 G N 0.086 108.942 108.800 0.093 0.000 2.528 207 G HA2 0.525 4.534 3.960 0.081 0.000 0.289 207 G HA3 0.525 4.534 3.960 0.081 0.000 0.289 207 G C -0.407 174.485 174.900 -0.013 0.000 1.192 207 G CA -0.642 44.484 45.100 0.043 0.000 0.921 207 G HN 0.730 nan 8.290 nan 0.000 0.512 208 K N 1.402 121.800 120.400 -0.003 0.000 2.203 208 K HA 0.326 4.694 4.320 0.081 0.000 0.251 208 K C -1.555 175.023 176.600 -0.037 0.000 0.944 208 K CA -1.839 54.433 56.287 -0.025 0.000 0.829 208 K CB 2.921 35.422 32.500 0.002 0.000 1.125 208 K HN 0.168 nan 8.250 nan 0.000 0.430 209 P HA -0.247 nan 4.420 nan 0.000 0.216 209 P C 1.322 178.574 177.300 -0.080 0.000 1.153 209 P CA 1.322 64.357 63.100 -0.109 0.000 0.858 209 P CB 0.215 31.832 31.700 -0.138 0.000 0.789 210 L N -0.058 121.137 121.223 -0.046 0.000 2.081 210 L HA -0.205 4.183 4.340 0.081 0.000 0.212 210 L C 2.428 179.345 176.870 0.078 0.000 1.080 210 L CA 1.898 56.723 54.840 -0.024 0.000 0.754 210 L CB -0.557 41.519 42.059 0.029 0.000 0.893 210 L HN 0.018 nan 8.230 nan 0.000 0.433 211 E N -1.143 119.124 120.200 0.111 0.000 2.150 211 E HA -0.189 4.210 4.350 0.081 0.000 0.193 211 E C 2.108 178.799 176.600 0.151 0.000 0.985 211 E CA 1.170 57.673 56.400 0.172 0.000 0.814 211 E CB 0.053 29.818 29.700 0.107 0.000 0.752 211 E HN 0.377 nan 8.360 nan 0.000 0.466 212 V N 1.083 121.042 119.914 0.074 0.000 2.548 212 V HA -0.168 4.000 4.120 0.081 0.000 0.249 212 V C 2.229 178.385 176.094 0.103 0.000 1.055 212 V CA 1.500 63.847 62.300 0.078 0.000 1.065 212 V CB -0.412 31.412 31.823 0.001 0.000 0.681 212 V HN 0.288 nan 8.190 nan 0.000 0.462 213 A N -0.948 121.886 122.820 0.023 0.000 1.902 213 A HA -0.225 4.144 4.320 0.081 0.000 0.217 213 A C 2.075 179.696 177.584 0.062 0.000 1.181 213 A CA 1.721 53.736 52.037 -0.037 0.000 0.623 213 A CB -0.742 18.139 19.000 -0.198 0.000 0.818 213 A HN 0.571 nan 8.150 nan 0.000 0.443 214 Y N -0.228 120.149 120.300 0.127 0.000 2.224 214 Y HA -0.127 4.471 4.550 0.079 0.000 0.289 214 Y C 2.887 178.912 175.900 0.209 0.000 1.146 214 Y CA 0.912 59.111 58.100 0.165 0.000 1.182 214 Y CB -0.163 38.360 38.460 0.105 0.000 0.983 214 Y HN 0.364 nan 8.280 nan 0.000 0.524 215 A N -0.044 122.977 122.820 0.334 0.000 1.933 215 A HA -0.159 4.209 4.320 0.081 0.000 0.218 215 A C 2.365 180.151 177.584 0.336 0.000 1.175 215 A CA 1.645 53.863 52.037 0.302 0.000 0.628 215 A CB -1.102 18.029 19.000 0.218 0.000 0.814 215 A HN 0.422 nan 8.150 nan 0.000 0.444 216 A N -0.358 122.642 122.820 0.302 0.000 1.898 216 A HA -0.013 4.355 4.320 0.081 0.000 0.216 216 A C 2.180 180.012 177.584 0.414 0.000 1.181 216 A CA 1.355 53.578 52.037 0.311 0.000 0.620 216 A CB -0.574 18.587 19.000 0.270 0.000 0.819 216 A HN 0.521 nan 8.150 nan 0.000 0.442 217 L N -1.556 119.963 121.223 0.492 0.000 2.012 217 L HA -0.180 4.209 4.340 0.081 0.000 0.210 217 L C 2.439 179.463 176.870 0.258 0.000 1.073 217 L CA 2.384 57.466 54.840 0.403 0.000 0.748 217 L CB -0.486 41.820 42.059 0.411 0.000 0.891 217 L HN 0.484 nan 8.230 nan 0.000 0.431 218 F N 0.773 120.830 119.950 0.178 0.000 2.043 218 F HA -0.301 4.272 4.527 0.076 0.000 0.297 218 F C 2.252 178.103 175.800 0.086 0.000 1.121 218 F CA 1.948 60.022 58.000 0.122 0.000 1.199 218 F CB -0.563 38.513 39.000 0.126 0.000 0.968 218 F HN -0.020 nan 8.300 nan 0.000 0.478 219 L N -0.305 120.916 121.223 -0.003 0.000 2.131 219 L HA -0.215 4.173 4.340 0.081 0.000 0.210 219 L C 2.536 179.333 176.870 -0.121 0.000 1.092 219 L CA 1.332 56.092 54.840 -0.133 0.000 0.759 219 L CB -0.642 41.444 42.059 0.046 0.000 0.903 219 L HN 0.334 nan 8.230 nan 0.000 0.435 220 L N -0.686 120.510 121.223 -0.044 0.000 2.209 220 L HA 0.015 4.404 4.340 0.081 0.000 0.207 220 L C 1.823 178.619 176.870 -0.124 0.000 1.094 220 L CA 0.124 54.922 54.840 -0.069 0.000 0.790 220 L CB 0.174 42.207 42.059 -0.042 0.000 0.932 220 L HN 0.310 nan 8.230 nan 0.000 0.447 221 S N -1.182 114.438 115.700 -0.133 0.000 2.608 221 S HA -0.023 4.496 4.470 0.081 0.000 0.261 221 S C 0.721 175.250 174.600 -0.119 0.000 1.314 221 S CA -0.313 57.815 58.200 -0.121 0.000 0.992 221 S CB 0.536 63.694 63.200 -0.070 0.000 0.935 221 S HN 0.206 nan 8.310 nan 0.000 0.564 222 D N 0.541 120.893 120.400 -0.079 0.000 2.378 222 D HA -0.021 4.668 4.640 0.081 0.000 0.222 222 D C 1.342 177.605 176.300 -0.062 0.000 0.980 222 D CA 0.711 54.675 54.000 -0.060 0.000 0.907 222 D CB -0.207 40.573 40.800 -0.033 0.000 0.899 222 D HN 0.735 nan 8.370 nan 0.000 0.527 223 E N -0.021 120.132 120.200 -0.078 0.000 2.347 223 E HA -0.056 4.342 4.350 0.081 0.000 0.196 223 E C 1.108 177.607 176.600 -0.169 0.000 1.008 223 E CA 0.547 56.919 56.400 -0.046 0.000 0.852 223 E CB 0.159 29.901 29.700 0.070 0.000 0.783 223 E HN 0.144 nan 8.360 nan 0.000 0.505 224 S N -0.495 114.987 115.700 -0.363 0.000 2.651 224 S HA 0.085 4.603 4.470 0.081 0.000 0.246 224 S C 1.439 175.940 174.600 -0.165 0.000 1.039 224 S CA -0.090 57.842 58.200 -0.447 0.000 1.013 224 S CB 0.404 63.043 63.200 -0.936 0.000 0.861 224 S HN 0.131 nan 8.310 nan 0.000 0.485 225 S N 0.810 116.472 115.700 -0.064 0.000 2.420 225 S HA -0.097 4.421 4.470 0.081 0.000 0.237 225 S C 0.742 175.416 174.600 0.124 0.000 1.023 225 S CA 0.711 58.922 58.200 0.018 0.000 0.991 225 S CB -0.710 62.511 63.200 0.035 0.000 0.792 225 S HN 0.591 nan 8.310 nan 0.000 0.488 226 F N 1.569 121.491 119.950 -0.048 0.000 2.684 226 F HA 0.557 5.135 4.527 0.085 0.000 0.298 226 F C -0.305 175.486 175.800 -0.014 0.000 1.120 226 F CA -1.733 56.254 58.000 -0.022 0.000 1.332 226 F CB 0.214 39.211 39.000 -0.005 0.000 0.986 226 F HN 0.043 nan 8.300 nan 0.000 0.524 227 I N 0.460 120.998 120.570 -0.053 0.000 2.418 227 I HA 0.387 4.605 4.170 0.081 0.000 0.287 227 I C -0.097 175.956 176.117 -0.107 0.000 1.008 227 I CA -0.433 60.814 61.300 -0.088 0.000 1.104 227 I CB 1.971 39.959 38.000 -0.019 0.000 1.264 227 I HN -0.117 nan 8.210 nan 0.000 0.438 228 T N 3.123 117.604 114.554 -0.122 0.000 2.889 228 T HA 0.549 4.947 4.350 0.081 0.000 0.315 228 T C 0.302 174.956 174.700 -0.077 0.000 1.291 228 T CA 0.309 62.353 62.100 -0.093 0.000 1.028 228 T CB 1.566 70.373 68.868 -0.103 0.000 1.235 228 T HN 1.012 nan 8.240 nan 0.000 0.491 229 G N 2.581 111.346 108.800 -0.058 0.000 2.198 229 G HA2 -0.164 3.844 3.960 0.081 0.000 0.260 229 G HA3 -0.164 3.844 3.960 0.081 0.000 0.260 229 G C -0.140 174.735 174.900 -0.041 0.000 1.025 229 G CA 0.292 45.362 45.100 -0.050 0.000 0.769 229 G HN 0.700 nan 8.290 nan 0.000 0.507 230 Q N -0.858 118.922 119.800 -0.032 0.000 2.257 230 Q HA 0.663 5.051 4.340 0.081 0.000 0.262 230 Q C -0.004 175.974 176.000 -0.037 0.000 0.997 230 Q CA -0.787 55.009 55.803 -0.012 0.000 0.873 230 Q CB 2.349 31.102 28.738 0.025 0.000 1.312 230 Q HN 0.285 nan 8.270 nan 0.000 0.450 231 V N 2.825 122.715 119.914 -0.040 0.000 2.313 231 V HA 0.228 4.396 4.120 0.081 0.000 0.278 231 V C -0.598 175.422 176.094 -0.123 0.000 1.017 231 V CA -0.727 61.484 62.300 -0.149 0.000 0.823 231 V CB 1.206 32.906 31.823 -0.205 0.000 1.010 231 V HN 0.501 nan 8.190 nan 0.000 0.443 232 L N 6.651 127.812 121.223 -0.103 0.000 2.264 232 L HA 0.605 4.993 4.340 0.081 0.000 0.287 232 L C -0.604 176.247 176.870 -0.031 0.000 1.039 232 L CA -0.001 54.850 54.840 0.019 0.000 0.829 232 L CB 0.426 42.547 42.059 0.104 0.000 1.211 232 L HN 0.408 nan 8.230 nan 0.000 0.427 233 F N 4.658 124.671 119.950 0.105 0.000 2.456 233 F HA 0.348 4.902 4.527 0.045 0.000 0.358 233 F C 0.688 176.540 175.800 0.087 0.000 1.095 233 F CA -0.117 57.944 58.000 0.102 0.000 1.216 233 F CB 0.998 40.053 39.000 0.090 0.000 1.125 233 F HN 0.131 nan 8.300 nan 0.000 0.549 234 V N 2.998 123.063 119.914 0.251 0.000 2.361 234 V HA 0.174 4.342 4.120 0.081 0.000 0.252 234 V C -0.611 175.587 176.094 0.174 0.000 0.986 234 V CA -0.537 61.869 62.300 0.176 0.000 1.033 234 V CB 0.227 32.131 31.823 0.135 0.000 1.282 234 V HN 0.804 nan 8.190 nan 0.000 0.514 235 D N 0.432 120.945 120.400 0.190 0.000 2.620 235 D HA 0.219 4.908 4.640 0.081 0.000 0.260 235 D C 1.343 177.711 176.300 0.113 0.000 1.367 235 D CA 0.189 54.287 54.000 0.164 0.000 0.805 235 D CB 0.543 41.462 40.800 0.197 0.000 1.096 235 D HN 0.492 nan 8.370 nan 0.000 0.488 236 G N 0.309 109.166 108.800 0.094 0.000 2.225 236 G HA2 -0.063 3.945 3.960 0.081 0.000 0.267 236 G HA3 -0.063 3.945 3.960 0.081 0.000 0.267 236 G C 1.229 176.151 174.900 0.037 0.000 1.024 236 G CA 0.573 45.711 45.100 0.063 0.000 0.784 236 G HN 1.461 nan 8.290 nan 0.000 0.507 237 G N -1.154 107.662 108.800 0.026 0.000 2.143 237 G HA2 -0.309 3.700 3.960 0.081 0.000 0.249 237 G HA3 -0.309 3.700 3.960 0.081 0.000 0.249 237 G C 1.167 176.045 174.900 -0.036 0.000 0.981 237 G CA 1.094 46.184 45.100 -0.016 0.000 0.665 237 G HN 0.980 nan 8.290 nan 0.000 0.528 238 R N 0.341 120.833 120.500 -0.012 0.000 2.241 238 R HA -0.001 4.388 4.340 0.081 0.000 0.224 238 R C 2.113 178.376 176.300 -0.061 0.000 1.101 238 R CA 1.968 58.058 56.100 -0.017 0.000 0.995 238 R CB -0.439 29.876 30.300 0.026 0.000 0.870 238 R HN 0.404 nan 8.270 nan 0.000 0.463 239 T N -0.042 114.432 114.554 -0.133 0.000 3.060 239 T HA 0.277 4.675 4.350 0.081 0.000 0.249 239 T C 0.729 175.287 174.700 -0.238 0.000 1.079 239 T CA -0.314 61.646 62.100 -0.232 0.000 1.013 239 T CB 0.018 68.598 68.868 -0.481 0.000 0.975 239 T HN 0.069 nan 8.240 nan 0.000 0.518 240 I N 1.776 122.239 120.570 -0.178 0.000 2.662 240 I HA 0.242 4.460 4.170 0.081 0.000 0.285 240 I C 1.582 177.641 176.117 -0.097 0.000 1.161 240 I CA 0.994 62.214 61.300 -0.135 0.000 1.415 240 I CB 0.328 38.275 38.000 -0.089 0.000 1.385 240 I HN 0.422 nan 8.210 nan 0.000 0.552 241 G N 4.359 113.105 108.800 -0.090 0.000 2.278 241 G HA2 -0.144 3.865 3.960 0.081 0.000 0.210 241 G HA3 -0.144 3.865 3.960 0.081 0.000 0.210 241 G C 0.263 175.125 174.900 -0.064 0.000 1.000 241 G CA -0.141 44.921 45.100 -0.063 0.000 0.635 241 G HN 0.913 nan 8.290 nan 0.000 0.495 242 A N 0.673 123.438 122.820 -0.090 0.000 2.331 242 A HA 0.869 5.237 4.320 0.081 0.000 0.283 242 A C 0.854 178.391 177.584 -0.078 0.000 1.142 242 A CA 0.878 52.865 52.037 -0.084 0.000 0.812 242 A CB 0.718 19.651 19.000 -0.112 0.000 1.074 242 A HN 2.071 nan 8.150 nan 0.000 0.497 243 A N 4.784 127.574 122.820 -0.049 0.000 2.545 243 A HA 0.479 4.847 4.320 0.081 0.000 0.253 243 A C -1.275 176.292 177.584 -0.028 0.000 1.074 243 A CA -0.748 51.272 52.037 -0.029 0.000 0.760 243 A CB -0.728 18.265 19.000 -0.012 0.000 1.005 243 A HN 0.762 nan 8.150 nan 0.000 0.506 244 P HA 0.378 nan 4.420 nan 0.000 0.270 244 P C -0.159 177.188 177.300 0.078 0.000 1.227 244 P CA 0.343 63.469 63.100 0.044 0.000 0.788 244 P CB 0.872 32.613 31.700 0.068 0.000 0.926 245 A N 0.000 122.922 122.820 0.170 0.000 2.254 245 A HA 0.000 4.368 4.320 0.081 0.000 0.244 245 A CA 0.000 52.171 52.037 0.223 0.000 0.836 245 A CB 0.000 19.159 19.000 0.266 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486