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 3fca_1_A DATA FIRST_RESID 1 DATA SEQUENCE MMERLIGSTP IVRLDSIDSR IXLKLEKNNP GGSVKDRPAL FMILDAEKRG DATA SEQUENCE LLKNGIVEPT SGNMGIAIAM IGAKRGHRVI LTMPETMSVE RRKVLKMLGA DATA SEQUENCE ELVLTPGELG MKGAVEKALE ISRETGAHML NQFENPYNVY SHQFTTGPEI DATA SEQUENCE LKQMDYQIDA FVAGVGTGGT ISGVGRVLKG FFGNGVKIVA VEPAKSPVLS DATA SEQUENCE GGQPGKHAIQ GIGAGFVPKI LDRSVIDEVI TVEDEEAYEM ARYLAKKEGL DATA SEQUENCE LVGISSGANV AAALKVAQKL GPDARVVTVA PDHAERYLSI L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.309 55.300 0.014 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 M N 1.456 121.072 119.600 0.027 0.000 2.099 2 M HA -0.079 4.402 4.480 0.002 0.000 0.262 2 M C 1.483 177.812 176.300 0.049 0.000 1.067 2 M CA 2.051 57.375 55.300 0.039 0.000 1.124 2 M CB -1.513 31.114 32.600 0.045 0.000 1.353 2 M HN 0.324 nan 8.290 nan 0.000 0.410 3 E N 0.047 120.275 120.200 0.046 0.000 2.147 3 E HA -0.189 4.162 4.350 0.002 0.000 0.199 3 E C 2.168 178.801 176.600 0.054 0.000 1.005 3 E CA 1.418 57.850 56.400 0.054 0.000 0.810 3 E CB -0.230 29.490 29.700 0.034 0.000 0.736 3 E HN 0.442 nan 8.360 nan 0.000 0.460 4 R N -0.298 120.226 120.500 0.038 0.000 2.075 4 R HA 0.072 4.413 4.340 0.002 0.000 0.226 4 R C 2.332 178.653 176.300 0.035 0.000 1.114 4 R CA 0.798 56.918 56.100 0.033 0.000 0.972 4 R CB -0.164 30.149 30.300 0.023 0.000 0.869 4 R HN 0.189 nan 8.270 nan 0.000 0.437 5 L N 0.692 121.935 121.223 0.035 0.000 2.179 5 L HA 0.044 4.385 4.340 0.002 0.000 0.208 5 L C 0.926 177.820 176.870 0.039 0.000 1.096 5 L CA 0.397 55.256 54.840 0.032 0.000 0.779 5 L CB -0.076 42.000 42.059 0.027 0.000 0.922 5 L HN 0.075 nan 8.230 nan 0.000 0.443 6 I N 0.384 120.985 120.570 0.051 0.000 2.496 6 I HA 0.297 4.468 4.170 0.002 0.000 0.285 6 I C 0.976 177.127 176.117 0.058 0.000 1.080 6 I CA 0.385 61.719 61.300 0.057 0.000 1.404 6 I CB 0.294 38.338 38.000 0.074 0.000 1.403 6 I HN 0.241 nan 8.210 nan 0.000 0.539 7 G N 3.599 112.426 108.800 0.046 0.000 2.660 7 G HA2 -0.179 3.782 3.960 0.002 0.000 0.247 7 G HA3 -0.179 3.782 3.960 0.002 0.000 0.247 7 G C 0.057 174.979 174.900 0.036 0.000 1.328 7 G CA -0.518 44.606 45.100 0.041 0.000 0.884 7 G HN 0.820 nan 8.290 nan 0.000 0.531 8 S N -0.940 114.779 115.700 0.032 0.000 3.706 8 S HA -0.124 4.347 4.470 0.002 0.000 0.363 8 S C 0.724 175.336 174.600 0.020 0.000 0.999 8 S CA 2.480 60.694 58.200 0.023 0.000 1.143 8 S CB -2.086 61.128 63.200 0.024 0.000 0.902 8 S HN 2.357 nan 8.310 nan 0.000 0.476 9 T N -0.018 114.549 114.554 0.023 0.000 2.922 9 T HA 0.682 5.033 4.350 0.002 0.000 0.285 9 T C -2.080 172.630 174.700 0.018 0.000 1.005 9 T CA -1.952 60.162 62.100 0.024 0.000 1.061 9 T CB 1.712 70.600 68.868 0.033 0.000 1.007 9 T HN 0.116 nan 8.240 nan 0.000 0.502 10 P HA 0.529 nan 4.420 nan 0.000 0.278 10 P C -0.811 176.498 177.300 0.015 0.000 1.266 10 P CA -0.789 62.318 63.100 0.012 0.000 0.807 10 P CB 0.992 32.698 31.700 0.010 0.000 1.094 11 I N 0.435 121.012 120.570 0.011 0.000 2.509 11 I HA 0.344 4.515 4.170 0.002 0.000 0.293 11 I C 0.133 176.256 176.117 0.011 0.000 1.020 11 I CA -1.127 60.181 61.300 0.014 0.000 1.088 11 I CB 2.260 40.266 38.000 0.010 0.000 1.267 11 I HN 0.145 nan 8.210 nan 0.000 0.430 12 V N 3.415 123.336 119.914 0.013 0.000 2.864 12 V HA 0.621 4.742 4.120 0.002 0.000 0.314 12 V C -0.369 175.732 176.094 0.011 0.000 1.073 12 V CA -0.926 61.380 62.300 0.010 0.000 0.956 12 V CB 1.980 33.808 31.823 0.009 0.000 1.023 12 V HN 0.768 nan 8.190 nan 0.000 0.435 13 R N 2.570 123.076 120.500 0.010 0.000 2.312 13 R HA 0.531 4.872 4.340 0.002 0.000 0.311 13 R C -0.574 175.733 176.300 0.012 0.000 1.004 13 R CA -0.666 55.440 56.100 0.011 0.000 0.902 13 R CB 1.287 31.593 30.300 0.010 0.000 1.073 13 R HN 0.904 nan 8.270 nan 0.000 0.457 14 L N 5.316 126.548 121.223 0.015 0.000 2.583 14 L HA 0.100 4.441 4.340 0.002 0.000 0.239 14 L C 0.561 177.447 176.870 0.027 0.000 1.347 14 L CA -0.359 54.495 54.840 0.022 0.000 1.246 14 L CB 0.184 42.260 42.059 0.027 0.000 1.496 14 L HN 0.531 nan 8.230 nan 0.000 0.413 15 D N -0.201 120.211 120.400 0.020 0.000 2.221 15 D HA -0.144 4.497 4.640 0.002 0.000 0.204 15 D C 1.797 178.115 176.300 0.030 0.000 0.982 15 D CA 1.267 55.279 54.000 0.021 0.000 0.857 15 D CB 0.261 41.069 40.800 0.013 0.000 0.934 15 D HN 0.307 nan 8.370 nan 0.000 0.475 16 S N -0.656 115.064 115.700 0.034 0.000 2.593 16 S HA 0.176 4.647 4.470 0.002 0.000 0.217 16 S C 1.777 176.448 174.600 0.118 0.000 0.966 16 S CA -0.052 58.176 58.200 0.048 0.000 0.914 16 S CB 0.634 63.836 63.200 0.004 0.000 0.776 16 S HN 0.256 nan 8.310 nan 0.000 0.523 17 I N -0.163 120.475 120.570 0.114 0.000 3.632 17 I HA 0.266 4.437 4.170 0.002 0.000 0.246 17 I C -0.157 175.997 176.117 0.062 0.000 1.125 17 I CA 0.135 61.521 61.300 0.143 0.000 1.519 17 I CB 0.483 38.573 38.000 0.151 0.000 1.555 17 I HN 0.073 nan 8.210 nan 0.000 0.452 18 D N 0.366 120.789 120.400 0.038 0.000 2.764 18 D HA 0.121 4.762 4.640 0.002 0.000 0.227 18 D C 0.259 176.567 176.300 0.014 0.000 1.347 18 D CA 0.011 54.021 54.000 0.017 0.000 0.953 18 D CB 1.710 42.511 40.800 0.000 0.000 1.476 18 D HN 0.131 nan 8.370 nan 0.000 0.585 19 S N 2.941 118.649 115.700 0.013 0.000 2.603 19 S HA -0.024 4.447 4.470 0.002 0.000 0.229 19 S C 1.315 175.920 174.600 0.007 0.000 0.972 19 S CA 0.295 58.502 58.200 0.012 0.000 0.935 19 S CB -0.000 63.207 63.200 0.012 0.000 0.769 19 S HN 0.461 nan 8.310 nan 0.000 0.536 20 R N 0.020 120.522 120.500 0.003 0.000 2.276 20 R HA 0.394 4.735 4.340 0.002 0.000 0.196 20 R C 0.408 176.706 176.300 -0.003 0.000 0.961 20 R CA 0.257 56.356 56.100 -0.001 0.000 1.024 20 R CB -0.069 30.227 30.300 -0.007 0.000 0.940 20 R HN 0.469 nan 8.270 nan 0.000 0.480 24 K N 4.978 125.405 120.400 0.045 0.000 2.312 24 K HA 0.539 4.860 4.320 0.002 0.000 0.287 24 K C -0.907 175.719 176.600 0.043 0.000 1.062 24 K CA -0.365 55.951 56.287 0.048 0.000 0.934 24 K CB 0.545 33.088 32.500 0.072 0.000 1.027 24 K HN 0.716 nan 8.250 nan 0.000 0.478 25 L N 5.635 126.880 121.223 0.037 0.000 2.352 25 L HA 0.153 4.494 4.340 0.002 0.000 0.272 25 L C 0.828 177.726 176.870 0.046 0.000 1.109 25 L CA -0.373 54.489 54.840 0.038 0.000 0.952 25 L CB 0.779 42.856 42.059 0.030 0.000 1.314 25 L HN 0.709 nan 8.230 nan 0.000 0.427 26 E N 2.154 122.388 120.200 0.056 0.000 2.482 26 E HA -0.124 4.227 4.350 0.002 0.000 0.196 26 E C 1.733 178.378 176.600 0.075 0.000 1.047 26 E CA 0.281 56.719 56.400 0.064 0.000 0.869 26 E CB 0.263 30.006 29.700 0.072 0.000 0.836 26 E HN 0.611 nan 8.360 nan 0.000 0.520 27 K N 0.465 120.917 120.400 0.086 0.000 2.360 27 K HA -0.088 4.233 4.320 0.002 0.000 0.201 27 K C 1.124 177.759 176.600 0.058 0.000 1.046 27 K CA 1.035 57.390 56.287 0.113 0.000 0.945 27 K CB -0.130 32.457 32.500 0.145 0.000 0.750 27 K HN -0.097 nan 8.250 nan 0.000 0.464 28 N N 1.063 119.787 118.700 0.040 0.000 2.453 28 N HA -0.039 4.702 4.740 0.002 0.000 0.183 28 N C -0.147 175.378 175.510 0.025 0.000 1.041 28 N CA 0.332 53.395 53.050 0.021 0.000 0.900 28 N CB -0.130 38.369 38.487 0.020 0.000 0.961 28 N HN 0.241 nan 8.380 nan 0.000 0.443 29 N N 1.000 119.724 118.700 0.040 0.000 2.416 29 N HA -0.006 4.735 4.740 0.002 0.000 0.246 29 N C -1.562 173.969 175.510 0.036 0.000 1.260 29 N CA -0.796 52.278 53.050 0.041 0.000 0.897 29 N CB 0.456 38.974 38.487 0.051 0.000 1.110 29 N HN 0.119 nan 8.380 nan 0.000 0.439 30 P HA -0.061 nan 4.420 nan 0.000 0.221 30 P C 0.881 178.200 177.300 0.032 0.000 1.150 30 P CA 1.065 64.180 63.100 0.024 0.000 0.800 30 P CB 0.123 31.838 31.700 0.025 0.000 0.787 31 G N -0.807 108.020 108.800 0.045 0.000 2.985 31 G HA2 0.231 4.192 3.960 0.002 0.000 0.209 31 G HA3 0.231 4.192 3.960 0.002 0.000 0.209 31 G C 1.170 176.121 174.900 0.086 0.000 1.165 31 G CA 0.385 45.518 45.100 0.055 0.000 0.776 31 G HN 0.424 nan 8.290 nan 0.000 0.541 32 G N -0.639 108.218 108.800 0.096 0.000 2.148 32 G HA2 -0.092 3.869 3.960 0.002 0.000 0.254 32 G HA3 -0.092 3.869 3.960 0.002 0.000 0.254 32 G C 0.388 175.408 174.900 0.199 0.000 0.981 32 G CA 1.048 46.259 45.100 0.186 0.000 0.670 32 G HN 1.784 nan 8.290 nan 0.000 0.528 33 S N -2.908 112.860 115.700 0.115 0.000 2.656 33 S HA 0.627 5.098 4.470 0.002 0.000 0.273 33 S C 0.766 175.412 174.600 0.077 0.000 1.168 33 S CA 0.473 58.729 58.200 0.094 0.000 0.817 33 S CB 1.439 64.682 63.200 0.071 0.000 1.146 33 S HN 1.339 nan 8.310 nan 0.000 0.475 34 V N 1.682 121.643 119.914 0.079 0.000 2.568 34 V HA -0.102 4.019 4.120 0.002 0.000 0.253 34 V C 1.939 178.088 176.094 0.092 0.000 1.072 34 V CA 1.954 64.312 62.300 0.097 0.000 1.084 34 V CB -0.852 31.035 31.823 0.107 0.000 0.676 34 V HN 0.822 nan 8.190 nan 0.000 0.469 35 K N -0.096 120.344 120.400 0.067 0.000 2.442 35 K HA -0.100 4.221 4.320 0.002 0.000 0.198 35 K C 1.597 178.212 176.600 0.026 0.000 1.042 35 K CA 1.054 57.368 56.287 0.045 0.000 0.958 35 K CB -0.589 31.927 32.500 0.027 0.000 0.766 35 K HN 0.530 nan 8.250 nan 0.000 0.474 36 D N 0.960 121.381 120.400 0.035 0.000 2.158 36 D HA -0.159 4.482 4.640 0.002 0.000 0.197 36 D C 1.974 178.288 176.300 0.023 0.000 0.995 36 D CA 1.166 55.188 54.000 0.036 0.000 0.846 36 D CB 0.038 40.865 40.800 0.045 0.000 0.941 36 D HN 0.221 nan 8.370 nan 0.000 0.456 37 R N 0.289 120.770 120.500 -0.032 0.000 2.075 37 R HA -0.061 4.280 4.340 0.002 0.000 0.230 37 R C -0.526 175.662 176.300 -0.187 0.000 1.140 37 R CA 1.522 57.536 56.100 -0.142 0.000 0.928 37 R CB -1.532 28.579 30.300 -0.315 0.000 0.834 37 R HN 0.314 nan 8.270 nan 0.000 0.429 38 P HA -0.129 nan 4.420 nan 0.000 0.218 38 P C 0.967 178.281 177.300 0.025 0.000 1.149 38 P CA 1.810 64.826 63.100 -0.140 0.000 0.817 38 P CB 0.005 31.647 31.700 -0.097 0.000 0.785 39 A N 0.220 123.055 122.820 0.026 0.000 1.883 39 A HA -0.188 4.133 4.320 0.002 0.000 0.217 39 A C 2.275 179.920 177.584 0.101 0.000 1.186 39 A CA 1.749 53.816 52.037 0.050 0.000 0.624 39 A CB -1.718 17.304 19.000 0.036 0.000 0.822 39 A HN 0.179 nan 8.150 nan 0.000 0.444 40 L N -1.519 119.790 121.223 0.143 0.000 1.989 40 L HA -0.127 4.214 4.340 0.002 0.000 0.211 40 L C 2.232 179.258 176.870 0.260 0.000 1.071 40 L CA 2.056 57.011 54.840 0.192 0.000 0.749 40 L CB -0.790 41.408 42.059 0.231 0.000 0.890 40 L HN 0.333 nan 8.230 nan 0.000 0.431 41 F N -0.489 119.493 119.950 0.054 0.000 2.075 41 F HA -0.232 4.296 4.527 0.002 0.000 0.297 41 F C 2.504 178.341 175.800 0.062 0.000 1.113 41 F CA 1.812 59.889 58.000 0.127 0.000 1.218 41 F CB -0.799 38.326 39.000 0.208 0.000 0.984 41 F HN 0.073 nan 8.300 nan 0.000 0.472 42 M N -0.827 118.916 119.600 0.238 0.000 2.159 42 M HA -0.224 4.257 4.480 0.002 0.000 0.263 42 M C 2.240 178.532 176.300 -0.015 0.000 1.063 42 M CA 1.654 57.001 55.300 0.078 0.000 1.110 42 M CB -0.631 32.013 32.600 0.072 0.000 1.374 42 M HN 0.135 nan 8.290 nan 0.000 0.411 43 I N 0.116 120.693 120.570 0.012 0.000 2.233 43 I HA -0.266 3.905 4.170 0.002 0.000 0.243 43 I C 2.247 178.328 176.117 -0.061 0.000 1.093 43 I CA 1.063 62.346 61.300 -0.027 0.000 1.380 43 I CB -0.264 37.741 38.000 0.008 0.000 1.067 43 I HN 0.243 nan 8.210 nan 0.000 0.413 44 L N 0.335 121.526 121.223 -0.053 0.000 2.079 44 L HA -0.265 4.076 4.340 0.002 0.000 0.210 44 L C 2.222 178.995 176.870 -0.163 0.000 1.081 44 L CA 1.687 56.474 54.840 -0.088 0.000 0.752 44 L CB -0.714 41.280 42.059 -0.108 0.000 0.896 44 L HN 0.330 nan 8.230 nan 0.000 0.433 45 D N 0.132 120.364 120.400 -0.281 0.000 2.084 45 D HA -0.201 4.440 4.640 0.002 0.000 0.194 45 D C 2.151 178.299 176.300 -0.252 0.000 0.990 45 D CA 1.544 55.288 54.000 -0.427 0.000 0.826 45 D CB 0.104 40.334 40.800 -0.950 0.000 0.971 45 D HN 0.234 nan 8.370 nan 0.000 0.453 46 A N 0.100 122.806 122.820 -0.189 0.000 1.933 46 A HA -0.167 4.154 4.320 0.002 0.000 0.218 46 A C 2.129 179.610 177.584 -0.172 0.000 1.175 46 A CA 1.608 53.541 52.037 -0.172 0.000 0.628 46 A CB -0.663 18.280 19.000 -0.095 0.000 0.814 46 A HN 0.349 nan 8.150 nan 0.000 0.444 47 E N -0.229 119.894 120.200 -0.129 0.000 2.038 47 E HA -0.259 4.092 4.350 0.002 0.000 0.195 47 E C 2.050 178.611 176.600 -0.066 0.000 1.000 47 E CA 1.714 58.071 56.400 -0.072 0.000 0.803 47 E CB -0.132 29.563 29.700 -0.008 0.000 0.750 47 E HN 0.752 nan 8.360 nan 0.000 0.448 48 K N 1.099 121.452 120.400 -0.079 0.000 2.211 48 K HA -0.092 4.229 4.320 0.002 0.000 0.203 48 K C 1.642 178.202 176.600 -0.066 0.000 1.050 48 K CA 1.198 57.447 56.287 -0.064 0.000 0.945 48 K CB 0.057 32.517 32.500 -0.066 0.000 0.732 48 K HN -0.060 nan 8.250 nan 0.000 0.451 49 R N -0.017 120.428 120.500 -0.092 0.000 2.310 49 R HA 0.135 4.476 4.340 0.002 0.000 0.202 49 R C 0.469 176.712 176.300 -0.095 0.000 0.933 49 R CA 0.534 56.581 56.100 -0.088 0.000 1.054 49 R CB 0.078 30.316 30.300 -0.102 0.000 0.985 49 R HN 0.498 nan 8.270 nan 0.000 0.489 50 G N 1.622 110.365 108.800 -0.094 0.000 2.225 50 G HA2 -0.240 3.721 3.960 0.002 0.000 0.264 50 G HA3 -0.240 3.721 3.960 0.002 0.000 0.264 50 G C 0.419 175.249 174.900 -0.117 0.000 1.060 50 G CA -0.063 44.988 45.100 -0.081 0.000 0.833 50 G HN 0.306 nan 8.290 nan 0.000 0.498 51 L N -1.132 119.972 121.223 -0.198 0.000 2.585 51 L HA 0.348 4.689 4.340 0.002 0.000 0.226 51 L C 2.054 178.786 176.870 -0.229 0.000 1.113 51 L CA 0.156 54.807 54.840 -0.315 0.000 0.876 51 L CB 0.110 41.744 42.059 -0.708 0.000 1.072 51 L HN 0.304 nan 8.230 nan 0.000 0.468 52 L N -0.393 120.744 121.223 -0.143 0.000 2.818 52 L HA 0.107 4.448 4.340 0.002 0.000 0.243 52 L C 2.000 178.872 176.870 0.004 0.000 1.185 52 L CA -0.014 54.774 54.840 -0.087 0.000 0.988 52 L CB -0.104 41.826 42.059 -0.216 0.000 1.292 52 L HN 0.185 nan 8.230 nan 0.000 0.519 53 K N 1.340 121.740 120.400 -0.000 0.000 2.107 53 K HA -0.224 4.097 4.320 0.002 0.000 0.211 53 K C 0.830 177.452 176.600 0.037 0.000 1.049 53 K CA 1.977 58.277 56.287 0.022 0.000 0.927 53 K CB 0.143 32.646 32.500 0.005 0.000 0.714 53 K HN 0.328 nan 8.250 nan 0.000 0.452 54 N N -0.639 118.082 118.700 0.034 0.000 2.238 54 N HA 0.164 4.905 4.740 0.002 0.000 0.222 54 N C -0.250 175.290 175.510 0.050 0.000 1.133 54 N CA 0.572 53.646 53.050 0.040 0.000 0.854 54 N CB 1.539 40.046 38.487 0.033 0.000 1.041 54 N HN 0.448 nan 8.380 nan 0.000 0.510 55 G N 0.403 109.237 108.800 0.057 0.000 2.615 55 G HA2 -0.210 3.751 3.960 0.002 0.000 0.218 55 G HA3 -0.210 3.751 3.960 0.002 0.000 0.218 55 G C -0.848 174.070 174.900 0.029 0.000 1.339 55 G CA -0.655 44.479 45.100 0.056 0.000 0.884 55 G HN 0.105 nan 8.290 nan 0.000 0.559 56 I N -0.426 120.157 120.570 0.021 0.000 2.545 56 I HA 0.623 4.794 4.170 0.002 0.000 0.292 56 I C -0.168 175.951 176.117 0.003 0.000 1.040 56 I CA -1.109 60.194 61.300 0.005 0.000 1.068 56 I CB 2.065 40.054 38.000 -0.020 0.000 1.251 56 I HN 0.602 nan 8.210 nan 0.000 0.424 57 V N 5.219 125.122 119.914 -0.018 0.000 2.531 57 V HA 0.655 4.776 4.120 0.002 0.000 0.301 57 V C -1.264 174.808 176.094 -0.036 0.000 1.034 57 V CA -0.061 62.229 62.300 -0.017 0.000 0.865 57 V CB 1.967 33.785 31.823 -0.008 0.000 0.995 57 V HN 0.841 nan 8.190 nan 0.000 0.424 58 E N 8.181 128.369 120.200 -0.019 0.000 2.308 58 E HA 0.655 5.006 4.350 0.002 0.000 0.275 58 E C -2.970 173.637 176.600 0.012 0.000 0.890 58 E CA -2.011 54.378 56.400 -0.018 0.000 0.754 58 E CB 3.196 32.876 29.700 -0.033 0.000 1.207 58 E HN 0.516 nan 8.360 nan 0.000 0.426 59 P HA 0.231 nan 4.420 nan 0.000 0.274 59 P C -0.717 176.629 177.300 0.076 0.000 1.231 59 P CA -0.329 62.819 63.100 0.079 0.000 0.790 59 P CB 1.402 33.189 31.700 0.144 0.000 0.951 60 T N -0.820 113.782 114.554 0.079 0.000 2.885 60 T HA 0.295 4.646 4.350 0.002 0.000 0.322 60 T C 0.843 175.587 174.700 0.074 0.000 1.387 60 T CA -0.229 61.908 62.100 0.061 0.000 1.041 60 T CB 0.566 69.446 68.868 0.020 0.000 1.287 60 T HN 0.334 nan 8.240 nan 0.000 0.491 61 S N 1.323 117.068 115.700 0.075 0.000 2.548 61 S HA 0.477 4.948 4.470 0.002 0.000 0.215 61 S C 1.491 176.110 174.600 0.032 0.000 0.976 61 S CA 1.048 59.288 58.200 0.065 0.000 0.908 61 S CB 0.234 63.486 63.200 0.086 0.000 0.781 61 S HN 1.600 nan 8.310 nan 0.000 0.519 62 G N 1.898 110.708 108.800 0.016 0.000 4.025 62 G HA2 -0.197 3.764 3.960 0.002 0.000 0.195 62 G HA3 -0.197 3.764 3.960 0.002 0.000 0.195 62 G C 0.822 175.713 174.900 -0.014 0.000 1.546 62 G CA 0.122 45.215 45.100 -0.012 0.000 1.007 62 G HN 0.292 nan 8.290 nan 0.000 0.388 63 N N 0.327 119.023 118.700 -0.006 0.000 2.142 63 N HA -0.003 4.738 4.740 0.002 0.000 0.186 63 N C 2.131 177.643 175.510 0.004 0.000 1.023 63 N CA 1.714 54.764 53.050 -0.000 0.000 0.852 63 N CB -0.310 38.187 38.487 0.017 0.000 0.998 63 N HN 0.441 nan 8.380 nan 0.000 0.424 64 M N 0.770 120.368 119.600 -0.005 0.000 2.159 64 M HA 0.035 4.516 4.480 0.002 0.000 0.263 64 M C 1.820 178.116 176.300 -0.007 0.000 1.063 64 M CA 1.342 56.633 55.300 -0.015 0.000 1.110 64 M CB -0.769 31.800 32.600 -0.051 0.000 1.374 64 M HN 0.117 nan 8.290 nan 0.000 0.411 65 G N -0.029 108.768 108.800 -0.004 0.000 2.418 65 G HA2 -0.170 3.791 3.960 0.002 0.000 0.217 65 G HA3 -0.170 3.791 3.960 0.002 0.000 0.217 65 G C 1.547 176.451 174.900 0.006 0.000 1.158 65 G CA 1.171 46.272 45.100 0.001 0.000 0.771 65 G HN 0.531 nan 8.290 nan 0.000 0.545 66 I N 1.363 121.936 120.570 0.005 0.000 2.179 66 I HA -0.177 3.994 4.170 0.002 0.000 0.242 66 I C 3.307 179.437 176.117 0.022 0.000 1.088 66 I CA 0.999 62.306 61.300 0.011 0.000 1.357 66 I CB -0.215 37.788 38.000 0.006 0.000 1.051 66 I HN 0.244 nan 8.210 nan 0.000 0.409 67 A N 1.077 123.911 122.820 0.023 0.000 1.883 67 A HA -0.208 4.113 4.320 0.002 0.000 0.217 67 A C 2.290 179.894 177.584 0.034 0.000 1.186 67 A CA 1.734 53.790 52.037 0.031 0.000 0.624 67 A CB -0.942 18.076 19.000 0.029 0.000 0.822 67 A HN 0.391 nan 8.150 nan 0.000 0.444 68 I N -0.246 120.340 120.570 0.026 0.000 2.226 68 I HA -0.287 3.884 4.170 0.002 0.000 0.245 68 I C 2.966 179.108 176.117 0.042 0.000 1.100 68 I CA 1.073 62.392 61.300 0.031 0.000 1.374 68 I CB -0.355 37.654 38.000 0.015 0.000 1.057 68 I HN 0.363 nan 8.210 nan 0.000 0.413 69 A N 0.527 123.367 122.820 0.033 0.000 1.902 69 A HA -0.268 4.053 4.320 0.002 0.000 0.217 69 A C 2.423 180.030 177.584 0.039 0.000 1.181 69 A CA 1.974 54.032 52.037 0.035 0.000 0.623 69 A CB -0.657 18.357 19.000 0.024 0.000 0.818 69 A HN 0.481 nan 8.150 nan 0.000 0.443 70 M N -0.566 119.056 119.600 0.036 0.000 2.086 70 M HA -0.106 4.375 4.480 0.002 0.000 0.261 70 M C 1.929 178.254 176.300 0.042 0.000 1.067 70 M CA 1.955 57.276 55.300 0.035 0.000 1.116 70 M CB -0.300 32.321 32.600 0.034 0.000 1.348 70 M HN 0.395 nan 8.290 nan 0.000 0.407 71 I N 0.075 120.678 120.570 0.054 0.000 2.252 71 I HA -0.151 4.020 4.170 0.002 0.000 0.245 71 I C 2.570 178.741 176.117 0.091 0.000 1.102 71 I CA 1.281 62.622 61.300 0.069 0.000 1.385 71 I CB -0.952 37.096 38.000 0.080 0.000 1.064 71 I HN 0.476 nan 8.210 nan 0.000 0.414 72 G N 0.545 109.411 108.800 0.110 0.000 2.418 72 G HA2 -0.246 3.715 3.960 0.002 0.000 0.217 72 G HA3 -0.246 3.715 3.960 0.002 0.000 0.217 72 G C 1.880 176.815 174.900 0.058 0.000 1.158 72 G CA 0.813 45.999 45.100 0.143 0.000 0.771 72 G HN 0.481 nan 8.290 nan 0.000 0.545 73 A N 0.724 123.568 122.820 0.039 0.000 1.908 73 A HA -0.057 4.264 4.320 0.002 0.000 0.218 73 A C 2.216 179.798 177.584 -0.003 0.000 1.181 73 A CA 2.463 54.509 52.037 0.015 0.000 0.627 73 A CB -0.342 18.668 19.000 0.017 0.000 0.818 73 A HN 0.384 nan 8.150 nan 0.000 0.445 74 K N -0.085 120.316 120.400 0.002 0.000 2.044 74 K HA 0.026 4.347 4.320 0.002 0.000 0.204 74 K C 1.955 178.530 176.600 -0.041 0.000 1.049 74 K CA 1.347 57.628 56.287 -0.011 0.000 0.945 74 K CB -0.239 32.264 32.500 0.004 0.000 0.724 74 K HN 0.423 nan 8.250 nan 0.000 0.440 75 R N -0.997 119.468 120.500 -0.058 0.000 2.275 75 R HA 0.162 4.503 4.340 0.002 0.000 0.199 75 R C 0.458 176.571 176.300 -0.312 0.000 0.989 75 R CA 0.679 56.688 56.100 -0.151 0.000 1.016 75 R CB 0.206 30.445 30.300 -0.102 0.000 0.918 75 R HN 0.437 nan 8.270 nan 0.000 0.473 76 G N 1.464 110.124 108.800 -0.234 0.000 2.165 76 G HA2 -0.199 3.762 3.960 0.002 0.000 0.226 76 G HA3 -0.199 3.762 3.960 0.002 0.000 0.226 76 G C -0.514 174.234 174.900 -0.254 0.000 1.035 76 G CA -0.472 44.501 45.100 -0.212 0.000 0.744 76 G HN 0.341 nan 8.290 nan 0.000 0.501 77 H N -0.258 118.816 119.070 0.007 0.000 2.458 77 H HA 0.409 4.966 4.556 0.001 0.000 0.330 77 H C 0.803 176.138 175.328 0.012 0.000 1.111 77 H CA -0.594 55.460 56.048 0.010 0.000 1.245 77 H CB 1.297 31.067 29.762 0.014 0.000 1.456 77 H HN 0.401 nan 8.280 nan 0.000 0.488 78 R N 2.383 122.967 120.500 0.141 0.000 2.489 78 R HA 0.215 4.556 4.340 0.002 0.000 0.287 78 R C -1.192 175.156 176.300 0.080 0.000 1.053 78 R CA -0.168 55.982 56.100 0.084 0.000 1.036 78 R CB 0.139 30.475 30.300 0.061 0.000 0.966 78 R HN 0.286 nan 8.270 nan 0.000 0.432 79 V N 7.395 127.344 119.914 0.058 0.000 2.483 79 V HA 0.391 4.512 4.120 0.002 0.000 0.297 79 V C -0.171 175.940 176.094 0.029 0.000 1.027 79 V CA -0.672 61.654 62.300 0.044 0.000 0.855 79 V CB 1.660 33.510 31.823 0.046 0.000 0.995 79 V HN 0.670 nan 8.190 nan 0.000 0.424 80 I N 5.973 126.556 120.570 0.021 0.000 2.433 80 I HA 0.563 4.734 4.170 0.002 0.000 0.292 80 I C -0.780 175.343 176.117 0.011 0.000 1.001 80 I CA -0.514 60.795 61.300 0.016 0.000 1.119 80 I CB 1.794 39.803 38.000 0.014 0.000 1.289 80 I HN 0.365 nan 8.210 nan 0.000 0.438 81 L N 4.987 126.217 121.223 0.012 0.000 2.342 81 L HA 0.677 5.018 4.340 0.002 0.000 0.271 81 L C 0.163 177.042 176.870 0.015 0.000 1.008 81 L CA -0.495 54.352 54.840 0.012 0.000 0.818 81 L CB 2.127 44.192 42.059 0.011 0.000 1.296 81 L HN 0.625 nan 8.230 nan 0.000 0.427 82 T N 0.288 114.855 114.554 0.021 0.000 2.856 82 T HA 0.801 5.152 4.350 0.002 0.000 0.283 82 T C -0.579 174.141 174.700 0.033 0.000 1.008 82 T CA -0.658 61.457 62.100 0.025 0.000 0.997 82 T CB 1.713 70.598 68.868 0.027 0.000 0.992 82 T HN 0.659 nan 8.240 nan 0.000 0.454 83 M N 2.740 122.357 119.600 0.029 0.000 2.365 83 M HA 0.437 4.918 4.480 0.002 0.000 0.287 83 M C -3.076 173.239 176.300 0.026 0.000 1.154 83 M CA -1.916 53.403 55.300 0.032 0.000 0.941 83 M CB 2.530 35.141 32.600 0.020 0.000 1.704 83 M HN 0.356 nan 8.290 nan 0.000 0.479 84 P HA 0.026 nan 4.420 nan 0.000 0.265 84 P C -0.315 176.992 177.300 0.011 0.000 1.193 84 P CA 0.235 63.348 63.100 0.020 0.000 0.765 84 P CB 0.304 32.017 31.700 0.021 0.000 0.823 85 E N 1.201 121.406 120.200 0.008 0.000 2.401 85 E HA -0.172 4.179 4.350 0.002 0.000 0.199 85 E C 0.621 177.223 176.600 0.003 0.000 1.023 85 E CA 1.416 57.818 56.400 0.004 0.000 0.859 85 E CB -0.759 28.943 29.700 0.004 0.000 0.780 85 E HN 0.457 nan 8.360 nan 0.000 0.523 86 T N -1.389 113.167 114.554 0.003 0.000 3.081 86 T HA 0.124 4.475 4.350 0.002 0.000 0.255 86 T C 0.962 175.668 174.700 0.011 0.000 1.113 86 T CA -0.186 61.915 62.100 0.003 0.000 1.082 86 T CB -0.010 68.852 68.868 -0.009 0.000 0.939 86 T HN -0.016 nan 8.240 nan 0.000 0.506 87 M N 3.308 122.913 119.600 0.009 0.000 2.240 87 M HA 0.314 4.795 4.480 0.002 0.000 0.333 87 M C 0.885 177.183 176.300 -0.004 0.000 1.110 87 M CA -0.557 54.749 55.300 0.010 0.000 1.173 87 M CB 0.385 32.987 32.600 0.003 0.000 1.458 87 M HN 0.409 nan 8.290 nan 0.000 0.458 88 S N 1.125 116.814 115.700 -0.018 0.000 2.558 88 S HA 0.115 4.586 4.470 0.002 0.000 0.291 88 S C 1.253 175.815 174.600 -0.063 0.000 1.306 88 S CA -0.312 57.861 58.200 -0.045 0.000 1.056 88 S CB 0.136 63.263 63.200 -0.122 0.000 0.836 88 S HN 0.630 nan 8.310 nan 0.000 0.504 89 V N 0.179 120.070 119.914 -0.039 0.000 2.720 89 V HA -0.096 4.025 4.120 0.002 0.000 0.256 89 V C 2.052 178.116 176.094 -0.050 0.000 1.082 89 V CA 1.765 64.045 62.300 -0.033 0.000 1.101 89 V CB -1.429 30.385 31.823 -0.015 0.000 0.693 89 V HN 0.841 nan 8.190 nan 0.000 0.479 90 E N 1.008 121.160 120.200 -0.080 0.000 2.085 90 E HA -0.184 4.167 4.350 0.002 0.000 0.194 90 E C 2.316 178.859 176.600 -0.095 0.000 0.994 90 E CA 1.775 58.119 56.400 -0.092 0.000 0.801 90 E CB -0.420 29.194 29.700 -0.144 0.000 0.743 90 E HN 0.628 nan 8.360 nan 0.000 0.453 91 R N 0.270 120.696 120.500 -0.123 0.000 2.094 91 R HA -0.132 4.209 4.340 0.002 0.000 0.239 91 R C 2.387 178.657 176.300 -0.050 0.000 1.137 91 R CA 1.873 57.917 56.100 -0.094 0.000 0.943 91 R CB -0.287 29.957 30.300 -0.094 0.000 0.850 91 R HN 0.112 nan 8.270 nan 0.000 0.433 92 R N 0.294 120.771 120.500 -0.039 0.000 2.091 92 R HA -0.155 4.186 4.340 0.002 0.000 0.238 92 R C 2.256 178.546 176.300 -0.016 0.000 1.136 92 R CA 1.413 57.501 56.100 -0.021 0.000 0.959 92 R CB -0.260 30.030 30.300 -0.016 0.000 0.856 92 R HN -0.029 nan 8.270 nan 0.000 0.437 93 K N 0.985 121.373 120.400 -0.020 0.000 2.057 93 K HA -0.078 4.243 4.320 0.002 0.000 0.207 93 K C 1.886 178.481 176.600 -0.008 0.000 1.049 93 K CA 1.237 57.517 56.287 -0.012 0.000 0.931 93 K CB -0.393 32.099 32.500 -0.012 0.000 0.714 93 K HN -0.022 nan 8.250 nan 0.000 0.440 94 V N 1.217 121.123 119.914 -0.013 0.000 2.295 94 V HA -0.247 3.874 4.120 0.002 0.000 0.246 94 V C 2.344 178.438 176.094 -0.000 0.000 1.049 94 V CA 1.839 64.137 62.300 -0.004 0.000 1.024 94 V CB -0.452 31.367 31.823 -0.006 0.000 0.648 94 V HN 0.263 nan 8.190 nan 0.000 0.447 95 L N -0.039 121.182 121.223 -0.004 0.000 2.042 95 L HA -0.227 4.114 4.340 0.002 0.000 0.210 95 L C 2.605 179.478 176.870 0.005 0.000 1.076 95 L CA 1.985 56.826 54.840 0.002 0.000 0.749 95 L CB -0.636 41.423 42.059 -0.001 0.000 0.893 95 L HN 0.324 nan 8.230 nan 0.000 0.432 96 K N 0.629 121.030 120.400 0.002 0.000 2.057 96 K HA -0.150 4.171 4.320 0.002 0.000 0.207 96 K C 2.038 178.641 176.600 0.005 0.000 1.049 96 K CA 1.653 57.942 56.287 0.004 0.000 0.931 96 K CB -0.239 32.262 32.500 0.002 0.000 0.714 96 K HN 0.115 nan 8.250 nan 0.000 0.440 97 M N 0.061 119.664 119.600 0.004 0.000 2.202 97 M HA -0.120 4.361 4.480 0.002 0.000 0.262 97 M C 1.627 177.932 176.300 0.008 0.000 1.063 97 M CA 1.413 56.717 55.300 0.006 0.000 1.097 97 M CB -0.199 32.405 32.600 0.006 0.000 1.382 97 M HN 0.106 nan 8.290 nan 0.000 0.413 98 L N -0.566 120.662 121.223 0.009 0.000 2.599 98 L HA 0.111 4.452 4.340 0.002 0.000 0.230 98 L C 1.276 178.154 176.870 0.013 0.000 1.141 98 L CA 0.179 55.026 54.840 0.012 0.000 0.877 98 L CB -0.571 41.497 42.059 0.016 0.000 1.009 98 L HN 0.603 nan 8.230 nan 0.000 0.447 99 G N 0.263 109.069 108.800 0.011 0.000 2.160 99 G HA2 -0.269 3.692 3.960 0.002 0.000 0.251 99 G HA3 -0.269 3.692 3.960 0.002 0.000 0.251 99 G C 0.321 175.230 174.900 0.015 0.000 1.008 99 G CA 0.158 45.265 45.100 0.011 0.000 0.724 99 G HN 0.512 nan 8.290 nan 0.000 0.514 100 A N -0.618 122.211 122.820 0.016 0.000 2.286 100 A HA 0.757 5.078 4.320 0.002 0.000 0.286 100 A C 0.347 177.940 177.584 0.014 0.000 1.097 100 A CA -0.175 51.873 52.037 0.018 0.000 0.821 100 A CB 0.642 19.653 19.000 0.018 0.000 1.076 100 A HN 0.499 nan 8.150 nan 0.000 0.490 101 E N -0.579 119.630 120.200 0.015 0.000 2.248 101 E HA 0.524 4.875 4.350 0.002 0.000 0.272 101 E C -1.232 175.374 176.600 0.011 0.000 1.008 101 E CA -0.499 55.909 56.400 0.012 0.000 0.856 101 E CB 1.763 31.472 29.700 0.014 0.000 1.120 101 E HN 0.425 nan 8.360 nan 0.000 0.397 102 L N 2.104 123.332 121.223 0.009 0.000 2.436 102 L HA 0.437 4.778 4.340 0.002 0.000 0.268 102 L C -1.753 175.122 176.870 0.008 0.000 0.974 102 L CA -0.754 54.091 54.840 0.008 0.000 0.826 102 L CB 2.044 44.106 42.059 0.005 0.000 1.291 102 L HN 0.352 nan 8.230 nan 0.000 0.406 103 V N 6.123 126.043 119.914 0.010 0.000 2.407 103 V HA 0.440 4.561 4.120 0.002 0.000 0.291 103 V C -0.011 176.090 176.094 0.011 0.000 1.018 103 V CA -0.552 61.754 62.300 0.009 0.000 0.842 103 V CB 1.500 33.329 31.823 0.010 0.000 0.996 103 V HN 0.641 nan 8.190 nan 0.000 0.426 104 L N 5.094 126.322 121.223 0.009 0.000 2.349 104 L HA 0.564 4.905 4.340 0.002 0.000 0.275 104 L C 0.763 177.639 176.870 0.010 0.000 1.115 104 L CA 0.060 54.905 54.840 0.009 0.000 0.820 104 L CB 1.424 43.486 42.059 0.006 0.000 1.135 104 L HN 0.801 nan 8.230 nan 0.000 0.445 105 T N 0.251 114.813 114.554 0.013 0.000 2.942 105 T HA 0.568 4.919 4.350 0.002 0.000 0.289 105 T C -2.715 171.991 174.700 0.010 0.000 1.044 105 T CA -2.514 59.593 62.100 0.012 0.000 1.023 105 T CB 1.746 70.624 68.868 0.018 0.000 1.123 105 T HN 0.192 nan 8.240 nan 0.000 0.512 106 P HA 0.184 nan 4.420 nan 0.000 0.264 106 P C 1.257 178.560 177.300 0.005 0.000 1.193 106 P CA -0.015 63.088 63.100 0.005 0.000 0.763 106 P CB 0.216 31.919 31.700 0.004 0.000 0.810 107 G N 3.646 112.447 108.800 0.002 0.000 2.440 107 G HA2 -0.268 3.693 3.960 0.002 0.000 0.218 107 G HA3 -0.268 3.693 3.960 0.002 0.000 0.218 107 G C 1.125 176.023 174.900 -0.004 0.000 1.154 107 G CA 0.425 45.524 45.100 -0.002 0.000 0.767 107 G HN 0.623 nan 8.290 nan 0.000 0.552 108 E N 0.842 121.041 120.200 -0.002 0.000 2.409 108 E HA -0.020 4.331 4.350 0.002 0.000 0.198 108 E C 2.155 178.757 176.600 0.004 0.000 1.024 108 E CA 0.413 56.812 56.400 -0.001 0.000 0.861 108 E CB -0.380 29.320 29.700 -0.001 0.000 0.788 108 E HN 0.497 nan 8.360 nan 0.000 0.521 109 L N 0.274 121.501 121.223 0.007 0.000 2.529 109 L HA 0.173 4.514 4.340 0.002 0.000 0.223 109 L C 1.492 178.375 176.870 0.022 0.000 1.113 109 L CA 0.286 55.133 54.840 0.011 0.000 0.861 109 L CB -0.557 41.507 42.059 0.008 0.000 1.012 109 L HN 0.303 nan 8.230 nan 0.000 0.461 110 G N 0.544 109.356 108.800 0.021 0.000 2.574 110 G HA2 -0.382 3.579 3.960 0.002 0.000 0.282 110 G HA3 -0.382 3.579 3.960 0.002 0.000 0.282 110 G C 0.712 175.649 174.900 0.061 0.000 1.257 110 G CA 0.293 45.412 45.100 0.033 0.000 0.956 110 G HN -0.006 nan 8.290 nan 0.000 0.560 111 M N -0.262 119.397 119.600 0.099 0.000 2.229 111 M HA -0.025 4.456 4.480 0.002 0.000 0.264 111 M C 2.339 178.711 176.300 0.120 0.000 1.063 111 M CA 2.308 57.698 55.300 0.151 0.000 1.114 111 M CB -1.156 31.572 32.600 0.212 0.000 1.387 111 M HN 0.600 nan 8.290 nan 0.000 0.420 112 K N 0.474 120.922 120.400 0.081 0.000 2.063 112 K HA -0.076 4.245 4.320 0.002 0.000 0.208 112 K C 1.937 178.532 176.600 -0.009 0.000 1.048 112 K CA 1.895 58.170 56.287 -0.021 0.000 0.928 112 K CB -0.999 31.471 32.500 -0.050 0.000 0.713 112 K HN 0.321 nan 8.250 nan 0.000 0.442 113 G N -0.122 108.686 108.800 0.014 0.000 2.440 113 G HA2 -0.248 3.713 3.960 0.002 0.000 0.218 113 G HA3 -0.248 3.713 3.960 0.002 0.000 0.218 113 G C 1.638 176.551 174.900 0.022 0.000 1.154 113 G CA 1.104 46.211 45.100 0.012 0.000 0.767 113 G HN 0.457 nan 8.290 nan 0.000 0.552 114 A N 0.153 122.999 122.820 0.044 0.000 1.877 114 A HA 0.052 4.373 4.320 0.002 0.000 0.216 114 A C 2.623 180.241 177.584 0.057 0.000 1.186 114 A CA 1.916 53.987 52.037 0.057 0.000 0.620 114 A CB -0.696 18.356 19.000 0.087 0.000 0.822 114 A HN 0.273 nan 8.150 nan 0.000 0.443 115 V N 0.153 120.106 119.914 0.064 0.000 2.287 115 V HA -0.303 3.818 4.120 0.002 0.000 0.248 115 V C 2.420 178.521 176.094 0.012 0.000 1.053 115 V CA 2.370 64.700 62.300 0.050 0.000 1.027 115 V CB -0.965 30.869 31.823 0.019 0.000 0.646 115 V HN 0.640 nan 8.190 nan 0.000 0.447 116 E N 0.034 120.231 120.200 -0.005 0.000 2.038 116 E HA -0.306 4.045 4.350 0.002 0.000 0.195 116 E C 2.267 178.866 176.600 -0.002 0.000 1.000 116 E CA 1.637 58.030 56.400 -0.012 0.000 0.803 116 E CB -0.210 29.479 29.700 -0.017 0.000 0.750 116 E HN 0.363 nan 8.360 nan 0.000 0.448 117 K N 1.125 121.529 120.400 0.006 0.000 2.057 117 K HA -0.098 4.223 4.320 0.002 0.000 0.207 117 K C 1.825 178.430 176.600 0.008 0.000 1.049 117 K CA 1.469 57.760 56.287 0.007 0.000 0.931 117 K CB -0.472 32.035 32.500 0.011 0.000 0.714 117 K HN 0.115 nan 8.250 nan 0.000 0.440 118 A N 0.621 123.449 122.820 0.013 0.000 1.902 118 A HA -0.108 4.213 4.320 0.002 0.000 0.217 118 A C 2.247 179.831 177.584 -0.000 0.000 1.181 118 A CA 1.618 53.661 52.037 0.009 0.000 0.623 118 A CB -0.689 18.321 19.000 0.017 0.000 0.818 118 A HN 0.327 nan 8.150 nan 0.000 0.443 119 L N -0.875 120.347 121.223 -0.002 0.000 2.046 119 L HA -0.220 4.120 4.340 0.002 0.000 0.208 119 L C 2.654 179.522 176.870 -0.003 0.000 1.077 119 L CA 1.880 56.717 54.840 -0.006 0.000 0.747 119 L CB -0.455 41.598 42.059 -0.009 0.000 0.896 119 L HN 0.618 nan 8.230 nan 0.000 0.432 120 E N 0.859 121.058 120.200 -0.001 0.000 2.017 120 E HA -0.247 4.104 4.350 0.002 0.000 0.193 120 E C 2.297 178.899 176.600 0.004 0.000 0.997 120 E CA 1.509 57.909 56.400 0.001 0.000 0.804 120 E CB -0.101 29.600 29.700 0.001 0.000 0.757 120 E HN 0.426 nan 8.360 nan 0.000 0.448 121 I N 0.738 121.311 120.570 0.004 0.000 2.264 121 I HA -0.275 3.896 4.170 0.002 0.000 0.248 121 I C 2.720 178.842 176.117 0.008 0.000 1.111 121 I CA 1.100 62.404 61.300 0.006 0.000 1.382 121 I CB -0.339 37.665 38.000 0.007 0.000 1.060 121 I HN 0.175 nan 8.210 nan 0.000 0.418 122 S N 0.688 116.391 115.700 0.004 0.000 2.356 122 S HA -0.249 4.222 4.470 0.002 0.000 0.223 122 S C 2.280 176.888 174.600 0.014 0.000 1.032 122 S CA 1.552 59.757 58.200 0.007 0.000 1.005 122 S CB -0.228 62.969 63.200 -0.004 0.000 0.867 122 S HN 0.343 nan 8.310 nan 0.000 0.449 123 R N 0.461 120.967 120.500 0.011 0.000 2.081 123 R HA -0.042 4.299 4.340 0.002 0.000 0.235 123 R C 2.329 178.636 176.300 0.012 0.000 1.131 123 R CA 1.765 57.873 56.100 0.012 0.000 0.960 123 R CB -0.244 30.061 30.300 0.008 0.000 0.856 123 R HN 0.560 nan 8.270 nan 0.000 0.436 124 E N -0.911 119.295 120.200 0.010 0.000 2.106 124 E HA -0.143 4.208 4.350 0.002 0.000 0.192 124 E C 1.718 178.325 176.600 0.012 0.000 0.984 124 E CA 1.799 58.204 56.400 0.010 0.000 0.806 124 E CB 0.080 29.785 29.700 0.008 0.000 0.750 124 E HN 0.521 nan 8.360 nan 0.000 0.458 125 T N -3.911 110.651 114.554 0.014 0.000 3.014 125 T HA 0.285 4.636 4.350 0.002 0.000 0.250 125 T C 1.592 176.305 174.700 0.021 0.000 1.060 125 T CA 0.537 62.647 62.100 0.017 0.000 1.040 125 T CB 0.839 69.718 68.868 0.018 0.000 0.971 125 T HN 0.270 nan 8.240 nan 0.000 0.497 126 G N 1.730 110.545 108.800 0.024 0.000 2.179 126 G HA2 -0.113 3.848 3.960 0.002 0.000 0.260 126 G HA3 -0.113 3.848 3.960 0.002 0.000 0.260 126 G C 0.432 175.359 174.900 0.044 0.000 0.977 126 G CA 0.046 45.164 45.100 0.031 0.000 0.641 126 G HN 1.270 nan 8.290 nan 0.000 0.533 127 A N 0.005 122.849 122.820 0.040 0.000 2.531 127 A HA 0.480 4.801 4.320 0.002 0.000 0.236 127 A C 0.340 177.969 177.584 0.074 0.000 1.062 127 A CA 0.903 52.970 52.037 0.051 0.000 0.760 127 A CB 0.101 19.119 19.000 0.031 0.000 0.995 127 A HN 1.373 nan 8.150 nan 0.000 0.501 128 H N 1.754 120.810 119.070 -0.023 0.000 2.527 128 H HA 0.485 5.042 4.556 0.002 0.000 0.321 128 H C -0.119 175.194 175.328 -0.023 0.000 1.087 128 H CA -0.369 55.663 56.048 -0.027 0.000 1.337 128 H CB 0.640 30.375 29.762 -0.045 0.000 1.440 128 H HN 0.642 nan 8.280 nan 0.000 0.490 129 M N 6.867 126.149 119.600 -0.530 0.000 2.105 129 M HA 0.142 4.623 4.480 0.002 0.000 0.350 129 M C 0.026 175.926 176.300 -0.667 0.000 1.308 129 M CA -0.312 54.731 55.300 -0.430 0.000 1.108 129 M CB 0.487 32.962 32.600 -0.209 0.000 1.622 129 M HN 0.808 nan 8.290 nan 0.000 0.468 130 L N 3.089 124.088 121.223 -0.373 0.000 2.141 130 L HA -0.072 4.269 4.340 0.002 0.000 0.209 130 L C 0.801 177.600 176.870 -0.118 0.000 1.094 130 L CA 0.239 54.956 54.840 -0.205 0.000 0.763 130 L CB -0.513 41.499 42.059 -0.078 0.000 0.908 130 L HN 0.909 nan 8.230 nan 0.000 0.437 131 N N 0.988 119.625 118.700 -0.105 0.000 2.610 131 N HA -0.214 4.527 4.740 0.002 0.000 0.271 131 N C 1.080 176.570 175.510 -0.034 0.000 1.146 131 N CA 0.816 53.850 53.050 -0.028 0.000 0.711 131 N CB -0.294 38.193 38.487 -0.000 0.000 0.883 131 N HN 0.589 nan 8.380 nan 0.000 0.548 132 Q N -0.474 119.242 119.800 -0.140 0.000 2.234 132 Q HA -0.157 4.184 4.340 0.002 0.000 0.206 132 Q C 1.068 176.903 176.000 -0.275 0.000 0.980 132 Q CA 1.636 57.283 55.803 -0.261 0.000 0.869 132 Q CB -0.329 28.155 28.738 -0.424 0.000 0.912 132 Q HN 0.586 nan 8.270 nan 0.000 0.436 133 F N 1.106 121.099 119.950 0.071 0.000 2.710 133 F HA 0.121 4.649 4.527 0.001 0.000 0.298 133 F C 1.539 177.382 175.800 0.072 0.000 1.137 133 F CA 0.700 58.765 58.000 0.108 0.000 1.444 133 F CB 0.274 39.403 39.000 0.214 0.000 1.111 133 F HN 0.124 nan 8.300 nan 0.000 0.580 134 E N -1.573 118.728 120.200 0.167 0.000 2.508 134 E HA 0.037 4.388 4.350 0.002 0.000 0.217 134 E C 0.248 176.876 176.600 0.048 0.000 0.896 134 E CA -0.167 56.295 56.400 0.104 0.000 1.118 134 E CB 0.159 29.915 29.700 0.094 0.000 1.133 134 E HN 0.005 nan 8.360 nan 0.000 0.526 135 N N 3.102 121.819 118.700 0.029 0.000 2.420 135 N HA 0.025 4.766 4.740 0.002 0.000 0.262 135 N C -1.600 173.881 175.510 -0.049 0.000 1.144 135 N CA -1.422 51.645 53.050 0.028 0.000 0.952 135 N CB 1.212 39.726 38.487 0.045 0.000 1.081 135 N HN -0.064 nan 8.380 nan 0.000 0.480 136 P HA -0.130 nan 4.420 nan 0.000 0.222 136 P C 0.832 177.613 177.300 -0.866 0.000 1.147 136 P CA 1.133 63.944 63.100 -0.482 0.000 0.790 136 P CB 0.043 31.444 31.700 -0.499 0.000 0.780 137 Y N 0.622 120.671 120.300 -0.419 0.000 2.333 137 Y HA -0.187 4.364 4.550 0.001 0.000 0.290 137 Y C 2.678 178.515 175.900 -0.105 0.000 1.144 137 Y CA 1.287 59.309 58.100 -0.131 0.000 1.228 137 Y CB -1.057 37.486 38.460 0.138 0.000 0.985 137 Y HN 0.009 nan 8.280 nan 0.000 0.542 138 N N 0.566 119.243 118.700 -0.038 0.000 2.036 138 N HA -0.183 4.558 4.740 0.002 0.000 0.195 138 N C 1.813 177.244 175.510 -0.131 0.000 1.037 138 N CA 1.917 54.918 53.050 -0.081 0.000 0.855 138 N CB -0.620 37.831 38.487 -0.059 0.000 1.033 138 N HN 0.169 nan 8.380 nan 0.000 0.423 139 V N 0.567 120.365 119.914 -0.193 0.000 2.343 139 V HA -0.223 3.898 4.120 0.002 0.000 0.247 139 V C 1.998 177.963 176.094 -0.215 0.000 1.051 139 V CA 1.504 63.705 62.300 -0.165 0.000 1.036 139 V CB -0.932 30.774 31.823 -0.194 0.000 0.654 139 V HN 0.279 nan 8.190 nan 0.000 0.451 140 Y N 1.353 121.424 120.300 -0.383 0.000 2.274 140 Y HA -0.213 4.338 4.550 0.002 0.000 0.290 140 Y C 2.941 178.376 175.900 -0.774 0.000 1.145 140 Y CA 1.007 58.682 58.100 -0.708 0.000 1.203 140 Y CB -1.560 36.554 38.460 -0.578 0.000 0.984 140 Y HN 0.479 nan 8.280 nan 0.000 0.533 141 S N -0.488 114.762 115.700 -0.749 0.000 2.370 141 S HA -0.231 4.240 4.470 0.002 0.000 0.226 141 S C 1.723 175.781 174.600 -0.903 0.000 1.033 141 S CA 1.733 58.991 58.200 -1.571 0.000 1.011 141 S CB -0.688 61.674 63.200 -1.397 0.000 0.852 141 S HN 0.543 nan 8.310 nan 0.000 0.457 142 H N 0.519 119.355 119.070 -0.389 0.000 2.497 142 H HA 0.193 4.750 4.556 0.001 0.000 0.282 142 H C 2.281 177.493 175.328 -0.193 0.000 1.003 142 H CA 1.184 57.090 56.048 -0.237 0.000 1.307 142 H CB -0.297 29.364 29.762 -0.167 0.000 1.437 142 H HN 0.615 nan 8.280 nan 0.000 0.544 143 Q N 0.040 119.742 119.800 -0.163 0.000 2.172 143 Q HA -0.090 4.251 4.340 0.002 0.000 0.200 143 Q C 0.803 176.846 176.000 0.072 0.000 0.964 143 Q CA 1.152 56.870 55.803 -0.141 0.000 0.855 143 Q CB 0.219 28.760 28.738 -0.328 0.000 0.918 143 Q HN 0.206 nan 8.270 nan 0.000 0.444 144 F N -1.410 118.547 119.950 0.011 0.000 2.731 144 F HA 0.168 4.696 4.527 0.002 0.000 0.298 144 F C 1.938 177.761 175.800 0.038 0.000 1.106 144 F CA 0.895 58.931 58.000 0.059 0.000 1.329 144 F CB -0.138 38.984 39.000 0.204 0.000 1.100 144 F HN 0.188 nan 8.300 nan 0.000 0.592 145 T N -4.559 110.059 114.554 0.107 0.000 3.330 145 T HA 0.031 4.382 4.350 0.002 0.000 0.240 145 T C 1.859 176.568 174.700 0.015 0.000 0.988 145 T CA 0.997 63.128 62.100 0.052 0.000 1.253 145 T CB -0.646 68.225 68.868 0.006 0.000 1.163 145 T HN -0.079 nan 8.240 nan 0.000 0.382 146 T N 1.831 116.383 114.554 -0.003 0.000 2.684 146 T HA 0.058 4.409 4.350 0.002 0.000 0.267 146 T C 2.168 176.849 174.700 -0.032 0.000 1.036 146 T CA 1.717 63.836 62.100 0.031 0.000 1.148 146 T CB -1.205 67.767 68.868 0.172 0.000 0.863 146 T HN 0.610 nan 8.240 nan 0.000 0.436 147 G N 2.405 111.176 108.800 -0.049 0.000 2.433 147 G HA2 -0.122 3.839 3.960 0.002 0.000 0.216 147 G HA3 -0.122 3.839 3.960 0.002 0.000 0.216 147 G C -0.662 174.188 174.900 -0.085 0.000 1.186 147 G CA 0.592 45.627 45.100 -0.108 0.000 0.779 147 G HN 0.400 nan 8.290 nan 0.000 0.543 148 P HA -0.080 nan 4.420 nan 0.000 0.216 148 P C 1.637 178.890 177.300 -0.077 0.000 1.153 148 P CA 1.464 64.540 63.100 -0.039 0.000 0.858 148 P CB -0.013 31.699 31.700 0.020 0.000 0.789 149 E N -0.674 119.494 120.200 -0.053 0.000 2.031 149 E HA -0.164 4.187 4.350 0.002 0.000 0.193 149 E C 2.082 178.624 176.600 -0.097 0.000 0.994 149 E CA 1.024 57.389 56.400 -0.059 0.000 0.800 149 E CB -0.652 29.034 29.700 -0.023 0.000 0.752 149 E HN 0.218 nan 8.360 nan 0.000 0.447 150 I N 0.797 121.310 120.570 -0.096 0.000 2.163 150 I HA -0.288 3.883 4.170 0.002 0.000 0.243 150 I C 2.520 178.545 176.117 -0.152 0.000 1.085 150 I CA 0.644 61.881 61.300 -0.104 0.000 1.347 150 I CB -0.199 37.723 38.000 -0.130 0.000 1.044 150 I HN 0.149 nan 8.210 nan 0.000 0.408 151 L N 1.128 122.233 121.223 -0.197 0.000 1.989 151 L HA -0.270 4.071 4.340 0.002 0.000 0.211 151 L C 2.464 178.959 176.870 -0.625 0.000 1.071 151 L CA 2.032 56.684 54.840 -0.313 0.000 0.749 151 L CB -0.667 41.201 42.059 -0.319 0.000 0.890 151 L HN 0.119 nan 8.230 nan 0.000 0.431 152 K N -1.319 118.733 120.400 -0.581 0.000 2.103 152 K HA -0.151 4.170 4.320 0.002 0.000 0.204 152 K C 2.083 178.447 176.600 -0.393 0.000 1.052 152 K CA 1.225 57.091 56.287 -0.702 0.000 0.945 152 K CB -0.075 32.223 32.500 -0.335 0.000 0.722 152 K HN 0.483 nan 8.250 nan 0.000 0.443 153 Q N -0.495 119.169 119.800 -0.227 0.000 2.226 153 Q HA -0.064 4.277 4.340 0.002 0.000 0.204 153 Q C 1.226 177.165 176.000 -0.102 0.000 0.975 153 Q CA 0.937 56.667 55.803 -0.122 0.000 0.866 153 Q CB 0.132 28.827 28.738 -0.071 0.000 0.915 153 Q HN 0.282 nan 8.270 nan 0.000 0.440 154 M N 0.654 120.176 119.600 -0.130 0.000 2.530 154 M HA 0.015 4.496 4.480 0.002 0.000 0.231 154 M C -0.603 175.665 176.300 -0.055 0.000 1.180 154 M CA 0.399 55.661 55.300 -0.064 0.000 0.985 154 M CB -0.144 32.440 32.600 -0.026 0.000 1.623 154 M HN 0.084 nan 8.290 nan 0.000 0.475 155 D N 0.760 121.081 120.400 -0.132 0.000 2.701 155 D HA -0.258 4.383 4.640 0.002 0.000 0.235 155 D C -0.408 175.986 176.300 0.156 0.000 1.155 155 D CA 0.653 54.647 54.000 -0.011 0.000 0.649 155 D CB -1.968 38.887 40.800 0.093 0.000 1.050 155 D HN 0.556 nan 8.370 nan 0.000 0.425 156 Y N -2.642 117.676 120.300 0.030 0.000 4.079 156 Y HA -0.336 4.215 4.550 0.002 0.000 0.223 156 Y C 0.702 176.862 175.900 0.433 0.000 1.155 156 Y CA 1.106 59.237 58.100 0.052 0.000 1.805 156 Y CB -2.388 35.995 38.460 -0.128 0.000 1.571 156 Y HN 0.354 nan 8.280 nan 0.000 0.654 157 Q N 0.529 120.581 119.800 0.420 0.000 2.397 157 Q HA 0.732 5.073 4.340 0.002 0.000 0.260 157 Q C -0.759 175.300 176.000 0.098 0.000 1.002 157 Q CA -0.344 55.659 55.803 0.333 0.000 0.716 157 Q CB 1.971 30.834 28.738 0.208 0.000 1.258 157 Q HN 0.379 nan 8.270 nan 0.000 0.477 158 I N 1.179 121.638 120.570 -0.185 0.000 2.569 158 I HA 0.247 4.418 4.170 0.002 0.000 0.290 158 I C 0.042 175.894 176.117 -0.442 0.000 1.088 158 I CA -0.505 60.617 61.300 -0.296 0.000 1.047 158 I CB 2.244 40.085 38.000 -0.265 0.000 1.237 158 I HN 0.542 nan 8.210 nan 0.000 0.421 159 D N 4.142 124.414 120.400 -0.213 0.000 2.262 159 D HA 0.219 4.860 4.640 0.002 0.000 0.212 159 D C 0.447 176.670 176.300 -0.128 0.000 0.964 159 D CA 0.741 54.640 54.000 -0.168 0.000 0.875 159 D CB 0.915 41.663 40.800 -0.086 0.000 0.996 159 D HN 0.552 nan 8.370 nan 0.000 0.497 160 A N 0.287 123.059 122.820 -0.080 0.000 2.520 160 A HA 0.500 4.821 4.320 0.002 0.000 0.298 160 A C -1.831 175.789 177.584 0.059 0.000 1.051 160 A CA -0.623 51.401 52.037 -0.022 0.000 0.690 160 A CB 1.481 20.460 19.000 -0.035 0.000 1.281 160 A HN 0.021 nan 8.150 nan 0.000 0.402 161 F N 2.567 122.480 119.950 -0.063 0.000 2.482 161 F HA 0.710 5.238 4.527 0.002 0.000 0.331 161 F C -1.033 174.741 175.800 -0.043 0.000 1.115 161 F CA -0.736 57.236 58.000 -0.046 0.000 0.955 161 F CB 1.899 40.883 39.000 -0.028 0.000 1.136 161 F HN 0.375 nan 8.300 nan 0.000 0.452 162 V N 5.404 124.832 119.914 -0.811 0.000 2.531 162 V HA 0.887 5.008 4.120 0.002 0.000 0.301 162 V C -0.672 174.921 176.094 -0.836 0.000 1.034 162 V CA -0.514 61.423 62.300 -0.606 0.000 0.865 162 V CB 1.090 32.723 31.823 -0.317 0.000 0.995 162 V HN 1.072 nan 8.190 nan 0.000 0.424 163 A N 3.255 125.718 122.820 -0.596 0.000 2.488 163 A HA 0.845 5.166 4.320 0.002 0.000 0.298 163 A C 0.065 177.516 177.584 -0.221 0.000 1.044 163 A CA -0.105 51.678 52.037 -0.424 0.000 0.693 163 A CB 1.552 20.305 19.000 -0.412 0.000 1.272 163 A HN 1.177 nan 8.150 nan 0.000 0.402 164 G N 0.068 108.768 108.800 -0.167 0.000 2.491 164 G HA2 0.472 4.433 3.960 0.002 0.000 0.238 164 G HA3 0.472 4.433 3.960 0.002 0.000 0.238 164 G C -0.320 174.524 174.900 -0.093 0.000 1.277 164 G CA -0.047 44.982 45.100 -0.119 0.000 0.851 164 G HN 1.045 nan 8.290 nan 0.000 0.573 165 V N 2.423 122.289 119.914 -0.081 0.000 2.370 165 V HA 0.582 4.703 4.120 0.002 0.000 0.279 165 V C 1.044 177.112 176.094 -0.045 0.000 1.029 165 V CA 0.490 62.755 62.300 -0.058 0.000 0.870 165 V CB 0.964 32.753 31.823 -0.056 0.000 0.984 165 V HN 0.977 nan 8.190 nan 0.000 0.451 166 G N 2.967 111.759 108.800 -0.013 0.000 2.534 166 G HA2 0.027 3.988 3.960 0.002 0.000 0.220 166 G HA3 0.027 3.988 3.960 0.002 0.000 0.220 166 G C 1.399 176.369 174.900 0.117 0.000 1.699 166 G CA 0.922 46.042 45.100 0.034 0.000 0.769 166 G HN 0.650 nan 8.290 nan 0.000 0.632 167 T N -2.030 112.564 114.554 0.067 0.000 3.023 167 T HA 0.324 4.675 4.350 0.002 0.000 0.266 167 T C 1.987 176.739 174.700 0.087 0.000 1.093 167 T CA 1.290 63.432 62.100 0.071 0.000 1.129 167 T CB -0.037 68.723 68.868 -0.180 0.000 0.899 167 T HN 1.747 nan 8.240 nan 0.000 0.491 168 G N 0.193 109.008 108.800 0.026 0.000 2.176 168 G HA2 -0.203 3.758 3.960 0.002 0.000 0.253 168 G HA3 -0.203 3.758 3.960 0.002 0.000 0.253 168 G C 1.156 176.050 174.900 -0.009 0.000 0.979 168 G CA 0.151 45.258 45.100 0.011 0.000 0.641 168 G HN 0.920 nan 8.290 nan 0.000 0.530 169 G N -0.005 108.787 108.800 -0.015 0.000 2.446 169 G HA2 -0.058 3.903 3.960 0.002 0.000 0.217 169 G HA3 -0.058 3.903 3.960 0.002 0.000 0.217 169 G C 1.683 176.528 174.900 -0.091 0.000 1.168 169 G CA 2.463 47.576 45.100 0.021 0.000 0.771 169 G HN 0.666 nan 8.290 nan 0.000 0.551 170 T N 0.830 115.161 114.554 -0.371 0.000 2.701 170 T HA -0.070 4.281 4.350 0.002 0.000 0.263 170 T C 2.314 176.916 174.700 -0.162 0.000 1.040 170 T CA 1.056 62.753 62.100 -0.672 0.000 1.147 170 T CB -0.176 68.401 68.868 -0.486 0.000 0.865 170 T HN 0.211 nan 8.240 nan 0.000 0.426 171 I N 0.756 121.327 120.570 0.001 0.000 2.361 171 I HA -0.177 3.994 4.170 0.002 0.000 0.251 171 I C 2.288 178.453 176.117 0.079 0.000 1.133 171 I CA 0.972 62.367 61.300 0.159 0.000 1.413 171 I CB 0.001 38.061 38.000 0.101 0.000 1.073 171 I HN 0.146 nan 8.210 nan 0.000 0.424 172 S N 0.429 116.141 115.700 0.019 0.000 2.345 172 S HA -0.072 4.399 4.470 0.002 0.000 0.220 172 S C 1.953 176.555 174.600 0.003 0.000 1.031 172 S CA 1.206 59.415 58.200 0.016 0.000 0.996 172 S CB -0.869 62.335 63.200 0.007 0.000 0.882 172 S HN 0.672 nan 8.310 nan 0.000 0.445 173 G N 1.488 110.285 108.800 -0.007 0.000 2.421 173 G HA2 -0.153 3.808 3.960 0.002 0.000 0.216 173 G HA3 -0.153 3.808 3.960 0.002 0.000 0.216 173 G C 1.479 176.354 174.900 -0.043 0.000 1.171 173 G CA 1.036 46.131 45.100 -0.009 0.000 0.775 173 G HN 0.398 nan 8.290 nan 0.000 0.543 174 V N 1.613 121.463 119.914 -0.107 0.000 2.343 174 V HA -0.069 4.052 4.120 0.002 0.000 0.247 174 V C 3.155 179.123 176.094 -0.210 0.000 1.051 174 V CA 2.006 64.141 62.300 -0.275 0.000 1.036 174 V CB -1.087 30.320 31.823 -0.693 0.000 0.654 174 V HN 0.444 nan 8.190 nan 0.000 0.451 175 G N -0.323 108.427 108.800 -0.084 0.000 2.442 175 G HA2 -0.249 3.712 3.960 0.002 0.000 0.219 175 G HA3 -0.249 3.712 3.960 0.002 0.000 0.219 175 G C 1.752 176.676 174.900 0.039 0.000 1.141 175 G CA 0.731 45.843 45.100 0.021 0.000 0.763 175 G HN 0.436 nan 8.290 nan 0.000 0.554 176 R N -0.387 120.129 120.500 0.028 0.000 2.081 176 R HA -0.017 4.324 4.340 0.002 0.000 0.235 176 R C 2.663 178.998 176.300 0.059 0.000 1.131 176 R CA 1.163 57.291 56.100 0.046 0.000 0.960 176 R CB -0.474 29.850 30.300 0.041 0.000 0.856 176 R HN 0.304 nan 8.270 nan 0.000 0.436 177 V N 1.313 121.250 119.914 0.038 0.000 2.307 177 V HA -0.201 3.920 4.120 0.002 0.000 0.245 177 V C 2.245 178.396 176.094 0.096 0.000 1.045 177 V CA 1.604 63.935 62.300 0.052 0.000 1.024 177 V CB -0.350 31.480 31.823 0.011 0.000 0.651 177 V HN 0.282 nan 8.190 nan 0.000 0.449 178 L N -0.745 120.541 121.223 0.104 0.000 2.072 178 L HA -0.079 4.262 4.340 0.002 0.000 0.205 178 L C 2.656 179.731 176.870 0.343 0.000 1.079 178 L CA 1.127 56.131 54.840 0.273 0.000 0.752 178 L CB -0.673 41.518 42.059 0.220 0.000 0.906 178 L HN 0.219 nan 8.230 nan 0.000 0.436 179 K N 0.622 121.145 120.400 0.206 0.000 2.147 179 K HA -0.073 4.248 4.320 0.002 0.000 0.205 179 K C 2.075 178.757 176.600 0.137 0.000 1.049 179 K CA 1.275 57.666 56.287 0.172 0.000 0.936 179 K CB -0.797 31.771 32.500 0.113 0.000 0.722 179 K HN 0.360 nan 8.250 nan 0.000 0.446 180 G N 0.013 108.887 108.800 0.123 0.000 2.422 180 G HA2 -0.249 3.712 3.960 0.002 0.000 0.218 180 G HA3 -0.249 3.712 3.960 0.002 0.000 0.218 180 G C 1.471 176.422 174.900 0.084 0.000 1.146 180 G CA 0.407 45.563 45.100 0.094 0.000 0.769 180 G HN 0.300 nan 8.290 nan 0.000 0.547 181 F N -0.230 119.670 119.950 -0.082 0.000 2.220 181 F HA 0.334 4.862 4.527 0.002 0.000 0.290 181 F C 1.874 177.492 175.800 -0.304 0.000 1.080 181 F CA 0.495 58.340 58.000 -0.258 0.000 1.318 181 F CB 0.246 38.980 39.000 -0.442 0.000 1.063 181 F HN 0.074 nan 8.300 nan 0.000 0.498 182 F N 0.306 120.307 119.950 0.085 0.000 2.714 182 F HA 0.365 4.893 4.527 0.002 0.000 0.294 182 F C 1.833 177.620 175.800 -0.022 0.000 1.120 182 F CA 0.537 58.538 58.000 0.001 0.000 1.398 182 F CB -0.672 38.402 39.000 0.123 0.000 1.120 182 F HN 0.190 nan 8.300 nan 0.000 0.589 183 G N 1.371 110.265 108.800 0.157 0.000 2.611 183 G HA2 -0.425 3.536 3.960 0.002 0.000 0.301 183 G HA3 -0.425 3.536 3.960 0.002 0.000 0.301 183 G C 0.822 175.792 174.900 0.117 0.000 1.233 183 G CA 0.681 45.841 45.100 0.100 0.000 0.993 183 G HN 0.389 nan 8.290 nan 0.000 0.553 184 N N 1.679 120.425 118.700 0.077 0.000 2.521 184 N HA 0.195 4.936 4.740 0.002 0.000 0.188 184 N C 2.076 177.622 175.510 0.059 0.000 1.146 184 N CA 0.673 53.759 53.050 0.060 0.000 0.893 184 N CB -0.134 38.376 38.487 0.038 0.000 0.975 184 N HN 0.715 nan 8.380 nan 0.000 0.451 185 G N 0.082 108.937 108.800 0.091 0.000 2.679 185 G HA2 -0.011 3.950 3.960 0.002 0.000 0.212 185 G HA3 -0.011 3.950 3.960 0.002 0.000 0.212 185 G C 0.249 175.145 174.900 -0.006 0.000 1.137 185 G CA 0.287 45.431 45.100 0.074 0.000 0.787 185 G HN 0.141 nan 8.290 nan 0.000 0.534 186 V N 0.268 120.188 119.914 0.010 0.000 2.735 186 V HA 0.554 4.675 4.120 0.002 0.000 0.310 186 V C -1.231 174.861 176.094 -0.004 0.000 1.061 186 V CA -1.189 61.057 62.300 -0.090 0.000 0.913 186 V CB 2.218 33.939 31.823 -0.170 0.000 1.005 186 V HN -0.052 nan 8.190 nan 0.000 0.428 187 K N 6.252 126.643 120.400 -0.015 0.000 2.213 187 K HA 0.534 4.855 4.320 0.002 0.000 0.270 187 K C -0.938 175.688 176.600 0.043 0.000 1.002 187 K CA -0.519 55.776 56.287 0.012 0.000 0.868 187 K CB 1.712 34.208 32.500 -0.007 0.000 1.093 187 K HN 0.466 nan 8.250 nan 0.000 0.454 188 I N 4.038 124.646 120.570 0.063 0.000 2.328 188 I HA 0.196 4.367 4.170 0.002 0.000 0.287 188 I C -0.083 176.056 176.117 0.036 0.000 1.012 188 I CA -0.842 60.518 61.300 0.101 0.000 1.195 188 I CB 1.133 39.218 38.000 0.141 0.000 1.350 188 I HN 0.092 nan 8.210 nan 0.000 0.464 189 V N 6.000 125.903 119.914 -0.018 0.000 2.357 189 V HA 0.568 4.689 4.120 0.002 0.000 0.284 189 V C 0.645 176.680 176.094 -0.099 0.000 1.018 189 V CA -0.765 61.498 62.300 -0.062 0.000 0.841 189 V CB 1.504 33.277 31.823 -0.084 0.000 0.991 189 V HN 0.832 nan 8.190 nan 0.000 0.437 190 A N 5.123 127.902 122.820 -0.069 0.000 2.354 190 A HA 0.739 5.060 4.320 0.002 0.000 0.269 190 A C -0.333 177.194 177.584 -0.096 0.000 1.109 190 A CA -0.317 51.672 52.037 -0.079 0.000 0.800 190 A CB 0.786 19.756 19.000 -0.049 0.000 1.045 190 A HN 0.689 nan 8.150 nan 0.000 0.489 191 V N 2.908 122.754 119.914 -0.113 0.000 2.513 191 V HA 0.582 4.703 4.120 0.002 0.000 0.299 191 V C -0.005 176.021 176.094 -0.113 0.000 1.035 191 V CA -0.391 61.841 62.300 -0.114 0.000 0.889 191 V CB 1.241 32.986 31.823 -0.130 0.000 0.988 191 V HN 1.107 nan 8.190 nan 0.000 0.440 192 E N 4.879 125.010 120.200 -0.116 0.000 2.429 192 E HA 0.660 5.011 4.350 0.002 0.000 0.276 192 E C -3.175 173.324 176.600 -0.169 0.000 0.953 192 E CA -2.542 53.770 56.400 -0.147 0.000 0.787 192 E CB 2.537 32.158 29.700 -0.130 0.000 1.307 192 E HN 0.359 nan 8.360 nan 0.000 0.458 193 P HA 0.110 nan 4.420 nan 0.000 0.275 193 P C 0.063 177.274 177.300 -0.147 0.000 1.227 193 P CA 0.010 62.961 63.100 -0.249 0.000 0.781 193 P CB 1.190 32.574 31.700 -0.527 0.000 0.906 194 A N 3.808 126.573 122.820 -0.090 0.000 2.019 194 A HA -0.204 4.117 4.320 0.002 0.000 0.219 194 A C 1.724 179.283 177.584 -0.041 0.000 1.164 194 A CA 1.486 53.489 52.037 -0.057 0.000 0.644 194 A CB -0.915 18.061 19.000 -0.040 0.000 0.805 194 A HN 0.508 nan 8.150 nan 0.000 0.449 195 K N -0.868 119.514 120.400 -0.031 0.000 2.366 195 K HA 0.050 4.371 4.320 0.002 0.000 0.198 195 K C 0.406 177.015 176.600 0.015 0.000 1.044 195 K CA 0.895 57.188 56.287 0.011 0.000 0.973 195 K CB 0.081 32.622 32.500 0.069 0.000 0.767 195 K HN 0.271 nan 8.250 nan 0.000 0.475 196 S N 1.271 116.949 115.700 -0.036 0.000 2.407 196 S HA 0.185 4.656 4.470 0.002 0.000 0.166 196 S C -2.704 171.856 174.600 -0.066 0.000 1.445 196 S CA -1.079 57.106 58.200 -0.025 0.000 1.260 196 S CB 0.722 63.939 63.200 0.029 0.000 1.401 196 S HN -0.047 nan 8.310 nan 0.000 0.379 197 P HA 0.156 nan 4.420 nan 0.000 0.218 197 P C 1.299 178.576 177.300 -0.040 0.000 1.793 197 P CA -0.165 62.903 63.100 -0.054 0.000 0.941 197 P CB 0.038 31.712 31.700 -0.042 0.000 1.919 198 V N -0.824 119.065 119.914 -0.043 0.000 2.427 198 V HA -0.206 3.914 4.120 0.002 0.000 0.248 198 V C 2.085 178.164 176.094 -0.025 0.000 1.051 198 V CA 1.202 63.486 62.300 -0.026 0.000 1.048 198 V CB -1.515 30.294 31.823 -0.022 0.000 0.666 198 V HN 0.091 nan 8.190 nan 0.000 0.456 199 L N 0.937 122.137 121.223 -0.038 0.000 2.201 199 L HA -0.053 4.288 4.340 0.002 0.000 0.212 199 L C 2.559 179.415 176.870 -0.024 0.000 1.105 199 L CA 1.592 56.414 54.840 -0.030 0.000 0.775 199 L CB -0.593 41.442 42.059 -0.041 0.000 0.913 199 L HN 0.374 nan 8.230 nan 0.000 0.440 200 S N -0.360 115.323 115.700 -0.029 0.000 2.603 200 S HA 0.155 4.626 4.470 0.002 0.000 0.220 200 S C 1.370 175.961 174.600 -0.016 0.000 0.967 200 S CA 0.689 58.874 58.200 -0.024 0.000 0.920 200 S CB 0.397 63.580 63.200 -0.029 0.000 0.773 200 S HN 0.637 nan 8.310 nan 0.000 0.529 201 G N 0.850 109.643 108.800 -0.013 0.000 2.131 201 G HA2 -0.073 3.888 3.960 0.002 0.000 0.201 201 G HA3 -0.073 3.888 3.960 0.002 0.000 0.201 201 G C 0.177 175.074 174.900 -0.006 0.000 1.000 201 G CA -0.338 44.758 45.100 -0.007 0.000 0.680 201 G HN 0.796 nan 8.290 nan 0.000 0.514 202 G N -1.448 107.347 108.800 -0.009 0.000 2.795 202 G HA2 0.637 4.598 3.960 0.002 0.000 0.267 202 G HA3 0.637 4.598 3.960 0.002 0.000 0.267 202 G C -0.330 174.568 174.900 -0.002 0.000 1.362 202 G CA -0.484 44.611 45.100 -0.007 0.000 1.048 202 G HN 0.240 nan 8.290 nan 0.000 0.547 203 Q N 0.683 120.483 119.800 0.000 0.000 2.230 203 Q HA 0.335 4.676 4.340 0.002 0.000 0.248 203 Q C -2.138 173.869 176.000 0.011 0.000 0.915 203 Q CA -1.616 54.191 55.803 0.007 0.000 0.900 203 Q CB 1.868 30.611 28.738 0.008 0.000 1.229 203 Q HN 0.311 nan 8.270 nan 0.000 0.439 204 P HA 0.297 nan 4.420 nan 0.000 0.272 204 P C -0.437 176.888 177.300 0.040 0.000 1.230 204 P CA -0.044 63.076 63.100 0.034 0.000 0.788 204 P CB 0.780 32.509 31.700 0.048 0.000 0.949 205 G N 0.046 108.885 108.800 0.064 0.000 2.579 205 G HA2 0.307 4.268 3.960 0.002 0.000 0.292 205 G HA3 0.307 4.268 3.960 0.002 0.000 0.292 205 G C -1.463 173.498 174.900 0.102 0.000 1.484 205 G CA -0.786 44.353 45.100 0.065 0.000 0.813 205 G HN 0.522 nan 8.290 nan 0.000 0.515 206 K N 0.215 120.648 120.400 0.055 0.000 2.451 206 K HA 0.383 4.704 4.320 0.002 0.000 0.280 206 K C 0.008 176.651 176.600 0.072 0.000 1.020 206 K CA 0.186 56.482 56.287 0.015 0.000 1.008 206 K CB 0.112 32.609 32.500 -0.005 0.000 0.917 206 K HN 0.871 nan 8.250 nan 0.000 0.478 207 H N 0.264 119.342 119.070 0.013 0.000 2.990 207 H HA 0.502 5.060 4.556 0.002 0.000 0.336 207 H C -0.828 174.527 175.328 0.045 0.000 1.306 207 H CA -0.590 55.469 56.048 0.018 0.000 1.118 207 H CB 1.466 31.236 29.762 0.013 0.000 1.856 207 H HN 0.369 nan 8.280 nan 0.000 0.538 208 A N 1.001 123.933 122.820 0.188 0.000 2.348 208 A HA 0.293 4.614 4.320 0.002 0.000 0.224 208 A C 0.277 178.065 177.584 0.340 0.000 1.227 208 A CA -0.256 51.900 52.037 0.198 0.000 0.885 208 A CB -0.401 18.696 19.000 0.163 0.000 0.933 208 A HN 0.559 nan 8.150 nan 0.000 0.506 209 I N 2.024 122.876 120.570 0.470 0.000 2.227 209 I HA 0.028 4.199 4.170 0.002 0.000 0.297 209 I C -0.105 176.156 176.117 0.239 0.000 1.173 209 I CA -0.125 61.344 61.300 0.281 0.000 1.356 209 I CB -0.109 37.983 38.000 0.154 0.000 1.485 209 I HN 0.311 nan 8.210 nan 0.000 0.604 210 Q N 4.236 124.120 119.800 0.140 0.000 2.263 210 Q HA 0.132 4.473 4.340 0.002 0.000 0.289 210 Q C 1.298 177.375 176.000 0.128 0.000 1.061 210 Q CA 0.906 56.794 55.803 0.142 0.000 0.927 210 Q CB 0.557 29.422 28.738 0.211 0.000 1.154 210 Q HN 0.964 nan 8.270 nan 0.000 0.378 211 G N 2.231 111.105 108.800 0.123 0.000 2.213 211 G HA2 -0.240 3.721 3.960 0.002 0.000 0.226 211 G HA3 -0.240 3.721 3.960 0.002 0.000 0.226 211 G C 0.119 175.065 174.900 0.077 0.000 0.992 211 G CA 0.151 45.307 45.100 0.093 0.000 0.632 211 G HN 0.712 nan 8.290 nan 0.000 0.511 212 I N -3.169 117.462 120.570 0.100 0.000 3.108 212 I HA 0.801 4.972 4.170 0.002 0.000 0.312 212 I C 0.878 177.038 176.117 0.071 0.000 1.095 212 I CA -0.711 60.614 61.300 0.042 0.000 1.000 212 I CB 2.064 40.042 38.000 -0.036 0.000 1.229 212 I HN 1.619 nan 8.210 nan 0.000 0.454 213 G N 2.361 111.132 108.800 -0.048 0.000 2.415 213 G HA2 -0.061 3.900 3.960 0.002 0.000 0.283 213 G HA3 -0.061 3.900 3.960 0.002 0.000 0.283 213 G C 0.540 175.467 174.900 0.044 0.000 1.014 213 G CA 0.226 45.276 45.100 -0.082 0.000 1.323 213 G HN 1.430 nan 8.290 nan 0.000 0.502 214 A N 0.370 123.093 122.820 -0.162 0.000 2.209 214 A HA 0.528 4.849 4.320 0.002 0.000 0.212 214 A C 2.641 180.047 177.584 -0.297 0.000 1.158 214 A CA 1.795 53.653 52.037 -0.298 0.000 0.742 214 A CB -0.251 18.325 19.000 -0.707 0.000 0.790 214 A HN 2.767 nan 8.150 nan 0.000 0.472 215 G N -2.189 106.484 108.800 -0.211 0.000 2.175 215 G HA2 -0.194 3.767 3.960 0.002 0.000 0.244 215 G HA3 -0.194 3.767 3.960 0.002 0.000 0.244 215 G C 0.045 174.977 174.900 0.052 0.000 0.982 215 G CA 0.369 45.453 45.100 -0.027 0.000 0.641 215 G HN 1.497 nan 8.290 nan 0.000 0.527 216 F N -2.003 117.906 119.950 -0.069 0.000 2.686 216 F HA 0.748 5.276 4.527 0.001 0.000 0.311 216 F C -0.398 175.363 175.800 -0.065 0.000 1.128 216 F CA -1.920 56.032 58.000 -0.079 0.000 0.946 216 F CB 1.113 40.039 39.000 -0.125 0.000 1.336 216 F HN 0.138 nan 8.300 nan 0.000 0.457 217 V N 2.459 122.474 119.914 0.169 0.000 2.389 217 V HA 0.349 4.470 4.120 0.002 0.000 0.264 217 V C -2.128 174.102 176.094 0.227 0.000 1.049 217 V CA -1.456 60.902 62.300 0.096 0.000 0.932 217 V CB 0.284 32.153 31.823 0.075 0.000 1.011 217 V HN 0.563 nan 8.190 nan 0.000 0.475 218 P HA 0.176 nan 4.420 nan 0.000 0.268 218 P C 0.531 177.954 177.300 0.204 0.000 1.205 218 P CA -0.350 62.934 63.100 0.307 0.000 0.771 218 P CB 0.808 32.701 31.700 0.322 0.000 0.858 219 K N 2.311 122.829 120.400 0.197 0.000 2.152 219 K HA -0.126 4.195 4.320 0.002 0.000 0.206 219 K C 1.579 178.233 176.600 0.090 0.000 1.048 219 K CA 1.360 57.718 56.287 0.118 0.000 0.933 219 K CB -0.800 31.759 32.500 0.099 0.000 0.721 219 K HN 0.574 nan 8.250 nan 0.000 0.447 220 I N -1.455 119.175 120.570 0.100 0.000 3.291 220 I HA 0.053 4.224 4.170 0.002 0.000 0.279 220 I C 0.297 176.439 176.117 0.041 0.000 1.294 220 I CA -0.343 60.985 61.300 0.047 0.000 1.428 220 I CB -0.213 37.798 38.000 0.018 0.000 1.070 220 I HN -0.126 nan 8.210 nan 0.000 0.478 221 L N 2.941 124.202 121.223 0.063 0.000 2.534 221 L HA 0.142 4.483 4.340 0.002 0.000 0.271 221 L C -0.104 176.787 176.870 0.036 0.000 1.178 221 L CA 0.641 55.508 54.840 0.045 0.000 0.907 221 L CB -0.081 42.007 42.059 0.047 0.000 1.164 221 L HN 0.144 nan 8.230 nan 0.000 0.482 222 D N 4.878 125.296 120.400 0.030 0.000 2.468 222 D HA 0.137 4.778 4.640 0.002 0.000 0.218 222 D C 0.964 177.283 176.300 0.032 0.000 1.155 222 D CA -0.132 53.887 54.000 0.031 0.000 0.924 222 D CB 0.482 41.301 40.800 0.030 0.000 1.029 222 D HN 0.557 nan 8.370 nan 0.000 0.515 223 R N 1.242 121.761 120.500 0.031 0.000 2.237 223 R HA -0.080 4.261 4.340 0.002 0.000 0.219 223 R C 1.831 178.148 176.300 0.029 0.000 1.080 223 R CA 0.867 56.983 56.100 0.027 0.000 0.995 223 R CB -0.145 30.170 30.300 0.024 0.000 0.875 223 R HN 0.373 nan 8.270 nan 0.000 0.462 224 S N 0.635 116.354 115.700 0.032 0.000 2.481 224 S HA -0.056 4.415 4.470 0.002 0.000 0.231 224 S C 1.925 176.548 174.600 0.039 0.000 0.996 224 S CA 0.842 59.062 58.200 0.033 0.000 0.942 224 S CB -0.161 63.059 63.200 0.034 0.000 0.768 224 S HN 0.261 nan 8.310 nan 0.000 0.520 225 V N -1.800 118.140 119.914 0.044 0.000 3.621 225 V HA 0.518 4.639 4.120 0.002 0.000 0.285 225 V C 0.328 176.457 176.094 0.058 0.000 1.346 225 V CA -0.478 61.855 62.300 0.055 0.000 1.104 225 V CB -0.776 31.083 31.823 0.060 0.000 0.913 225 V HN 0.429 nan 8.190 nan 0.000 0.432 226 I N 1.606 122.202 120.570 0.044 0.000 2.336 226 I HA 0.383 4.554 4.170 0.002 0.000 0.292 226 I C 0.632 176.766 176.117 0.028 0.000 0.991 226 I CA -0.273 61.050 61.300 0.038 0.000 1.227 226 I CB 1.545 39.560 38.000 0.026 0.000 1.366 226 I HN 0.072 nan 8.210 nan 0.000 0.466 227 D N 4.635 125.051 120.400 0.026 0.000 2.197 227 D HA 0.003 4.644 4.640 0.002 0.000 0.212 227 D C 0.449 176.752 176.300 0.004 0.000 0.963 227 D CA 1.052 55.062 54.000 0.016 0.000 0.864 227 D CB 0.630 41.441 40.800 0.018 0.000 1.009 227 D HN 0.741 nan 8.370 nan 0.000 0.479 228 E N -0.575 119.622 120.200 -0.005 0.000 2.458 228 E HA 0.529 4.880 4.350 0.002 0.000 0.278 228 E C -1.440 175.144 176.600 -0.026 0.000 1.004 228 E CA -0.911 55.480 56.400 -0.015 0.000 0.823 228 E CB 2.190 31.878 29.700 -0.020 0.000 1.396 228 E HN -0.282 nan 8.360 nan 0.000 0.463 229 V N 1.563 121.459 119.914 -0.031 0.000 2.540 229 V HA 0.478 4.599 4.120 0.002 0.000 0.302 229 V C -0.380 175.685 176.094 -0.048 0.000 1.035 229 V CA -0.626 61.648 62.300 -0.043 0.000 0.873 229 V CB 1.389 33.189 31.823 -0.039 0.000 0.992 229 V HN 0.596 nan 8.190 nan 0.000 0.428 230 I N 3.533 124.066 120.570 -0.061 0.000 2.530 230 I HA 0.541 4.712 4.170 0.002 0.000 0.297 230 I C 0.272 176.347 176.117 -0.070 0.000 1.011 230 I CA -0.390 60.873 61.300 -0.062 0.000 1.107 230 I CB 2.712 40.671 38.000 -0.067 0.000 1.285 230 I HN 0.739 nan 8.210 nan 0.000 0.436 231 T N 2.444 116.960 114.554 -0.064 0.000 2.925 231 T HA 0.740 5.091 4.350 0.002 0.000 0.285 231 T C -0.557 174.103 174.700 -0.066 0.000 1.021 231 T CA -0.698 61.360 62.100 -0.070 0.000 1.042 231 T CB 2.044 70.876 68.868 -0.060 0.000 1.037 231 T HN 0.238 nan 8.240 nan 0.000 0.481 232 V N 1.920 121.791 119.914 -0.071 0.000 2.638 232 V HA 0.429 4.550 4.120 0.002 0.000 0.306 232 V C -0.211 175.857 176.094 -0.044 0.000 1.052 232 V CA -0.965 61.300 62.300 -0.057 0.000 0.885 232 V CB 1.937 33.723 31.823 -0.062 0.000 0.999 232 V HN 0.911 nan 8.190 nan 0.000 0.424 233 E N 1.987 122.171 120.200 -0.027 0.000 2.373 233 E HA 0.140 4.491 4.350 0.002 0.000 0.263 233 E C 0.309 176.919 176.600 0.018 0.000 1.073 233 E CA -0.166 56.227 56.400 -0.012 0.000 0.894 233 E CB 1.263 30.953 29.700 -0.016 0.000 1.008 233 E HN 0.633 nan 8.360 nan 0.000 0.420 234 D N 1.673 122.093 120.400 0.035 0.000 2.116 234 D HA -0.183 4.458 4.640 0.002 0.000 0.193 234 D C 1.322 177.686 176.300 0.106 0.000 0.998 234 D CA 1.285 55.340 54.000 0.092 0.000 0.836 234 D CB 0.286 41.105 40.800 0.031 0.000 0.951 234 D HN 0.375 nan 8.370 nan 0.000 0.449 235 E N 0.624 120.828 120.200 0.006 0.000 2.208 235 E HA -0.110 4.241 4.350 0.002 0.000 0.193 235 E C 1.990 178.622 176.600 0.054 0.000 0.988 235 E CA 0.357 56.755 56.400 -0.003 0.000 0.828 235 E CB -0.183 29.489 29.700 -0.047 0.000 0.763 235 E HN 0.511 nan 8.360 nan 0.000 0.478 236 E N 0.700 120.920 120.200 0.033 0.000 2.085 236 E HA -0.164 4.187 4.350 0.002 0.000 0.194 236 E C 1.982 178.602 176.600 0.034 0.000 0.994 236 E CA 1.117 57.526 56.400 0.015 0.000 0.801 236 E CB -0.026 29.668 29.700 -0.011 0.000 0.743 236 E HN 0.203 nan 8.360 nan 0.000 0.453 237 A N 0.326 123.189 122.820 0.072 0.000 1.873 237 A HA -0.167 4.154 4.320 0.002 0.000 0.215 237 A C 1.853 179.453 177.584 0.026 0.000 1.186 237 A CA 1.134 53.192 52.037 0.034 0.000 0.616 237 A CB -0.735 18.285 19.000 0.033 0.000 0.823 237 A HN 0.237 nan 8.150 nan 0.000 0.442 238 Y N 0.080 120.350 120.300 -0.049 0.000 2.145 238 Y HA -0.196 4.354 4.550 0.001 0.000 0.286 238 Y C 2.531 178.418 175.900 -0.022 0.000 1.145 238 Y CA 1.627 59.701 58.100 -0.044 0.000 1.148 238 Y CB -0.356 38.087 38.460 -0.029 0.000 0.981 238 Y HN 0.478 nan 8.280 nan 0.000 0.507 239 E N -0.053 120.238 120.200 0.150 0.000 2.058 239 E HA -0.308 4.043 4.350 0.002 0.000 0.194 239 E C 2.152 178.798 176.600 0.078 0.000 0.997 239 E CA 1.811 58.264 56.400 0.089 0.000 0.801 239 E CB -0.194 29.530 29.700 0.039 0.000 0.746 239 E HN 0.379 nan 8.360 nan 0.000 0.450 240 M N 0.854 120.476 119.600 0.038 0.000 2.132 240 M HA -0.030 4.451 4.480 0.002 0.000 0.263 240 M C 2.094 178.427 176.300 0.054 0.000 1.065 240 M CA 1.820 57.144 55.300 0.040 0.000 1.122 240 M CB -0.517 32.077 32.600 -0.010 0.000 1.365 240 M HN 0.161 nan 8.290 nan 0.000 0.411 241 A N 0.306 123.117 122.820 -0.015 0.000 1.892 241 A HA -0.238 4.082 4.320 0.002 0.000 0.218 241 A C 2.282 179.862 177.584 -0.006 0.000 1.188 241 A CA 2.194 54.196 52.037 -0.059 0.000 0.631 241 A CB -0.737 18.154 19.000 -0.181 0.000 0.822 241 A HN 0.603 nan 8.150 nan 0.000 0.447 242 R N -2.520 117.998 120.500 0.031 0.000 2.081 242 R HA -0.152 4.189 4.340 0.002 0.000 0.235 242 R C 2.162 178.511 176.300 0.082 0.000 1.131 242 R CA 1.694 57.828 56.100 0.057 0.000 0.960 242 R CB -0.503 29.846 30.300 0.082 0.000 0.856 242 R HN 0.671 nan 8.270 nan 0.000 0.436 243 Y N 1.292 121.586 120.300 -0.010 0.000 2.242 243 Y HA -0.136 4.414 4.550 0.001 0.000 0.291 243 Y C 1.971 177.864 175.900 -0.012 0.000 1.137 243 Y CA 1.253 59.348 58.100 -0.009 0.000 1.181 243 Y CB -0.074 38.380 38.460 -0.010 0.000 0.989 243 Y HN -0.036 nan 8.280 nan 0.000 0.527 244 L N -0.973 120.303 121.223 0.089 0.000 2.046 244 L HA -0.237 4.104 4.340 0.002 0.000 0.208 244 L C 2.692 179.539 176.870 -0.038 0.000 1.077 244 L CA 1.246 56.099 54.840 0.021 0.000 0.747 244 L CB -0.801 41.274 42.059 0.027 0.000 0.896 244 L HN 0.271 nan 8.230 nan 0.000 0.432 245 A N -0.241 122.561 122.820 -0.031 0.000 1.898 245 A HA -0.201 4.120 4.320 0.002 0.000 0.216 245 A C 2.318 179.860 177.584 -0.070 0.000 1.181 245 A CA 1.621 53.637 52.037 -0.035 0.000 0.620 245 A CB -0.276 18.716 19.000 -0.013 0.000 0.819 245 A HN 0.299 nan 8.150 nan 0.000 0.442 246 K N -0.932 119.400 120.400 -0.114 0.000 2.167 246 K HA 0.011 4.332 4.320 0.002 0.000 0.203 246 K C 1.633 178.102 176.600 -0.219 0.000 1.052 246 K CA 0.974 57.170 56.287 -0.151 0.000 0.956 246 K CB 0.064 32.473 32.500 -0.151 0.000 0.735 246 K HN 0.158 nan 8.250 nan 0.000 0.451 247 K N 0.092 120.293 120.400 -0.333 0.000 2.335 247 K HA 0.071 4.392 4.320 0.002 0.000 0.195 247 K C 1.210 177.707 176.600 -0.171 0.000 1.058 247 K CA 0.680 56.766 56.287 -0.336 0.000 0.988 247 K CB 0.812 32.920 32.500 -0.654 0.000 0.880 247 K HN 0.068 nan 8.250 nan 0.000 0.513 248 E N -0.405 119.720 120.200 -0.125 0.000 2.490 248 E HA 0.099 4.450 4.350 0.002 0.000 0.209 248 E C 0.652 177.226 176.600 -0.044 0.000 0.971 248 E CA 0.365 56.729 56.400 -0.060 0.000 0.988 248 E CB 0.887 30.569 29.700 -0.030 0.000 1.029 248 E HN 0.347 nan 8.360 nan 0.000 0.496 249 G N 2.164 110.933 108.800 -0.051 0.000 2.179 249 G HA2 -0.285 3.676 3.960 0.002 0.000 0.257 249 G HA3 -0.285 3.676 3.960 0.002 0.000 0.257 249 G C 0.127 175.017 174.900 -0.016 0.000 1.010 249 G CA 0.336 45.417 45.100 -0.032 0.000 0.736 249 G HN 0.187 nan 8.290 nan 0.000 0.513 250 L N 0.365 121.579 121.223 -0.014 0.000 2.262 250 L HA 0.466 4.807 4.340 0.002 0.000 0.288 250 L C 0.884 177.760 176.870 0.011 0.000 1.035 250 L CA -0.773 54.068 54.840 0.001 0.000 0.820 250 L CB 1.317 43.378 42.059 0.003 0.000 1.204 250 L HN 0.033 nan 8.230 nan 0.000 0.424 251 L N 5.820 127.060 121.223 0.028 0.000 2.395 251 L HA 0.216 4.557 4.340 0.002 0.000 0.268 251 L C 0.093 177.010 176.870 0.078 0.000 1.223 251 L CA -0.369 54.502 54.840 0.052 0.000 1.093 251 L CB -0.010 42.089 42.059 0.067 0.000 1.349 251 L HN 0.435 nan 8.230 nan 0.000 0.427 252 V N -0.899 119.037 119.914 0.037 0.000 2.919 252 V HA 0.903 5.024 4.120 0.002 0.000 0.316 252 V C 0.615 176.674 176.094 -0.058 0.000 1.077 252 V CA -0.613 61.698 62.300 0.020 0.000 0.977 252 V CB 1.420 33.240 31.823 -0.005 0.000 1.039 252 V HN 0.411 nan 8.190 nan 0.000 0.441 253 G N 0.184 108.921 108.800 -0.106 0.000 2.535 253 G HA2 0.439 4.400 3.960 0.002 0.000 0.282 253 G HA3 0.439 4.400 3.960 0.002 0.000 0.282 253 G C 0.570 175.140 174.900 -0.550 0.000 1.350 253 G CA -0.473 44.375 45.100 -0.420 0.000 1.039 253 G HN 0.830 nan 8.290 nan 0.000 0.509 254 I N 0.215 120.231 120.570 -0.924 0.000 2.202 254 I HA -0.184 3.987 4.170 0.002 0.000 0.242 254 I C 3.057 178.950 176.117 -0.375 0.000 1.091 254 I CA 1.801 62.681 61.300 -0.700 0.000 1.368 254 I CB -0.195 37.285 38.000 -0.867 0.000 1.058 254 I HN 0.533 nan 8.210 nan 0.000 0.410 255 S N -0.023 115.510 115.700 -0.278 0.000 2.423 255 S HA -0.114 4.357 4.470 0.002 0.000 0.231 255 S C 2.014 176.537 174.600 -0.128 0.000 1.014 255 S CA 1.253 59.366 58.200 -0.146 0.000 0.965 255 S CB -0.460 62.693 63.200 -0.078 0.000 0.785 255 S HN 0.344 nan 8.310 nan 0.000 0.495 256 S N 2.041 117.660 115.700 -0.136 0.000 2.368 256 S HA 0.062 4.533 4.470 0.002 0.000 0.224 256 S C 2.190 176.731 174.600 -0.098 0.000 1.029 256 S CA 1.026 59.167 58.200 -0.098 0.000 0.988 256 S CB -1.240 61.916 63.200 -0.075 0.000 0.838 256 S HN 0.743 nan 8.310 nan 0.000 0.462 257 G N 1.658 110.382 108.800 -0.126 0.000 2.440 257 G HA2 -0.122 3.839 3.960 0.002 0.000 0.218 257 G HA3 -0.122 3.839 3.960 0.002 0.000 0.218 257 G C 1.569 176.419 174.900 -0.083 0.000 1.154 257 G CA 1.019 46.060 45.100 -0.097 0.000 0.767 257 G HN 0.591 nan 8.290 nan 0.000 0.552 258 A N 1.183 123.944 122.820 -0.098 0.000 1.877 258 A HA -0.090 4.231 4.320 0.002 0.000 0.216 258 A C 2.313 179.842 177.584 -0.092 0.000 1.186 258 A CA 1.962 53.949 52.037 -0.083 0.000 0.620 258 A CB -0.538 18.412 19.000 -0.084 0.000 0.822 258 A HN 0.341 nan 8.150 nan 0.000 0.443 259 N N 0.185 118.823 118.700 -0.104 0.000 2.061 259 N HA -0.143 4.598 4.740 0.002 0.000 0.193 259 N C 1.651 177.097 175.510 -0.107 0.000 1.030 259 N CA 1.762 54.740 53.050 -0.121 0.000 0.856 259 N CB -0.634 37.775 38.487 -0.129 0.000 1.023 259 N HN 0.253 nan 8.380 nan 0.000 0.424 260 V N 1.127 120.992 119.914 -0.081 0.000 2.453 260 V HA -0.104 4.017 4.120 0.002 0.000 0.247 260 V C 2.326 178.383 176.094 -0.061 0.000 1.048 260 V CA 1.525 63.788 62.300 -0.062 0.000 1.049 260 V CB -0.937 30.865 31.823 -0.035 0.000 0.672 260 V HN 0.295 nan 8.190 nan 0.000 0.457 261 A N 0.225 123.007 122.820 -0.063 0.000 1.908 261 A HA -0.142 4.179 4.320 0.002 0.000 0.218 261 A C 2.407 179.949 177.584 -0.070 0.000 1.181 261 A CA 2.199 54.197 52.037 -0.064 0.000 0.627 261 A CB -0.707 18.258 19.000 -0.058 0.000 0.818 261 A HN 0.559 nan 8.150 nan 0.000 0.445 262 A N -0.363 122.410 122.820 -0.079 0.000 1.897 262 A HA 0.265 4.586 4.320 0.002 0.000 0.215 262 A C 2.481 180.013 177.584 -0.088 0.000 1.181 262 A CA 1.763 53.748 52.037 -0.086 0.000 0.620 262 A CB -0.953 17.986 19.000 -0.102 0.000 0.821 262 A HN 1.048 nan 8.150 nan 0.000 0.443 263 A N -0.486 122.277 122.820 -0.095 0.000 1.972 263 A HA -0.053 4.268 4.320 0.002 0.000 0.219 263 A C 2.103 179.648 177.584 -0.065 0.000 1.169 263 A CA 1.710 53.694 52.037 -0.089 0.000 0.635 263 A CB -0.551 18.395 19.000 -0.090 0.000 0.810 263 A HN 0.597 nan 8.150 nan 0.000 0.446 264 L N -0.212 120.975 121.223 -0.059 0.000 2.056 264 L HA -0.119 4.222 4.340 0.002 0.000 0.207 264 L C 2.230 179.070 176.870 -0.051 0.000 1.078 264 L CA 2.195 57.004 54.840 -0.052 0.000 0.749 264 L CB -0.436 41.590 42.059 -0.057 0.000 0.901 264 L HN 0.337 nan 8.230 nan 0.000 0.433 265 K N -1.303 119.064 120.400 -0.055 0.000 2.097 265 K HA -0.123 4.198 4.320 0.002 0.000 0.206 265 K C 1.929 178.501 176.600 -0.047 0.000 1.049 265 K CA 1.481 57.737 56.287 -0.050 0.000 0.933 265 K CB -0.315 32.153 32.500 -0.053 0.000 0.717 265 K HN 0.229 nan 8.250 nan 0.000 0.442 266 V N 1.402 121.284 119.914 -0.053 0.000 2.295 266 V HA -0.260 3.861 4.120 0.002 0.000 0.246 266 V C 2.358 178.427 176.094 -0.041 0.000 1.049 266 V CA 2.107 64.377 62.300 -0.049 0.000 1.024 266 V CB -0.701 31.086 31.823 -0.060 0.000 0.648 266 V HN 0.370 nan 8.190 nan 0.000 0.447 267 A N -0.958 121.838 122.820 -0.040 0.000 1.972 267 A HA -0.286 4.035 4.320 0.002 0.000 0.219 267 A C 2.161 179.728 177.584 -0.027 0.000 1.169 267 A CA 1.906 53.924 52.037 -0.032 0.000 0.635 267 A CB -0.476 18.506 19.000 -0.029 0.000 0.810 267 A HN 0.643 nan 8.150 nan 0.000 0.446 268 Q N -0.451 119.331 119.800 -0.030 0.000 2.167 268 Q HA -0.100 4.241 4.340 0.002 0.000 0.202 268 Q C 1.765 177.751 176.000 -0.024 0.000 0.970 268 Q CA 1.356 57.143 55.803 -0.027 0.000 0.855 268 Q CB -0.118 28.602 28.738 -0.030 0.000 0.911 268 Q HN 0.607 nan 8.270 nan 0.000 0.438 269 K N -0.048 120.336 120.400 -0.026 0.000 2.439 269 K HA 0.006 4.326 4.320 0.002 0.000 0.197 269 K C 0.444 177.032 176.600 -0.020 0.000 1.041 269 K CA 0.445 56.718 56.287 -0.023 0.000 0.970 269 K CB 0.159 32.644 32.500 -0.025 0.000 0.773 269 K HN 0.152 nan 8.250 nan 0.000 0.479 270 L N -0.869 120.342 121.223 -0.021 0.000 2.335 270 L HA 0.373 4.714 4.340 0.002 0.000 0.268 270 L C 0.972 177.834 176.870 -0.014 0.000 1.016 270 L CA -1.127 53.702 54.840 -0.018 0.000 0.805 270 L CB 0.791 42.837 42.059 -0.022 0.000 1.311 270 L HN -0.067 nan 8.230 nan 0.000 0.456 271 G N -0.259 108.534 108.800 -0.011 0.000 2.653 271 G HA2 0.234 4.195 3.960 0.002 0.000 0.265 271 G HA3 0.234 4.195 3.960 0.002 0.000 0.265 271 G C -1.703 173.193 174.900 -0.007 0.000 1.237 271 G CA -0.683 44.413 45.100 -0.008 0.000 0.946 271 G HN 0.531 nan 8.290 nan 0.000 0.522 272 P HA 0.017 nan 4.420 nan 0.000 0.229 272 P C 0.282 177.583 177.300 0.001 0.000 1.160 272 P CA 0.902 64.001 63.100 -0.002 0.000 0.777 272 P CB 0.450 32.150 31.700 0.000 0.000 0.814 273 D N -0.414 119.987 120.400 0.001 0.000 2.388 273 D HA 0.250 4.891 4.640 0.002 0.000 0.221 273 D C 0.526 176.826 176.300 0.001 0.000 1.133 273 D CA -0.184 53.819 54.000 0.005 0.000 0.831 273 D CB -0.173 40.633 40.800 0.009 0.000 0.962 273 D HN 0.075 nan 8.370 nan 0.000 0.502 274 A N 0.694 123.511 122.820 -0.006 0.000 2.462 274 A HA 0.384 4.705 4.320 0.002 0.000 0.243 274 A C 0.340 177.916 177.584 -0.013 0.000 1.076 274 A CA -0.080 51.948 52.037 -0.014 0.000 0.773 274 A CB 0.342 19.331 19.000 -0.019 0.000 1.010 274 A HN 0.075 nan 8.150 nan 0.000 0.493 275 R N 1.675 122.163 120.500 -0.021 0.000 2.275 275 R HA 0.487 4.828 4.340 0.002 0.000 0.326 275 R C -1.453 174.832 176.300 -0.025 0.000 0.973 275 R CA -0.379 55.711 56.100 -0.017 0.000 0.854 275 R CB 1.657 31.951 30.300 -0.010 0.000 1.156 275 R HN 0.446 nan 8.270 nan 0.000 0.487 276 V N 4.121 124.026 119.914 -0.015 0.000 2.448 276 V HA 0.439 4.560 4.120 0.002 0.000 0.295 276 V C -0.144 175.952 176.094 0.004 0.000 1.025 276 V CA -0.830 61.461 62.300 -0.015 0.000 0.859 276 V CB 1.992 33.797 31.823 -0.030 0.000 0.988 276 V HN 0.390 nan 8.190 nan 0.000 0.431 277 V N 3.456 123.393 119.914 0.039 0.000 2.555 277 V HA 0.778 4.899 4.120 0.002 0.000 0.302 277 V C 0.031 176.149 176.094 0.039 0.000 1.038 277 V CA -0.249 62.105 62.300 0.089 0.000 0.887 277 V CB 1.870 33.810 31.823 0.195 0.000 0.991 277 V HN 0.949 nan 8.190 nan 0.000 0.434 278 T N 2.621 117.175 114.554 -0.000 0.000 2.804 278 T HA 0.743 5.094 4.350 0.002 0.000 0.290 278 T C -1.450 173.254 174.700 0.006 0.000 1.099 278 T CA -0.311 61.720 62.100 -0.115 0.000 1.011 278 T CB 2.044 70.800 68.868 -0.187 0.000 1.291 278 T HN 0.394 nan 8.240 nan 0.000 0.523 279 V N 1.531 121.425 119.914 -0.034 0.000 2.628 279 V HA 0.805 4.926 4.120 0.002 0.000 0.306 279 V C 0.053 176.140 176.094 -0.012 0.000 1.045 279 V CA -0.915 61.400 62.300 0.025 0.000 0.905 279 V CB 1.475 33.334 31.823 0.060 0.000 0.997 279 V HN 1.063 nan 8.190 nan 0.000 0.436 280 A N 5.343 128.169 122.820 0.010 0.000 2.412 280 A HA 0.646 4.967 4.320 0.002 0.000 0.334 280 A C -1.824 175.774 177.584 0.023 0.000 1.419 280 A CA -1.410 50.629 52.037 0.003 0.000 0.930 280 A CB 0.562 19.569 19.000 0.011 0.000 1.149 280 A HN 0.668 nan 8.150 nan 0.000 0.515 281 P HA -0.112 nan 4.420 nan 0.000 0.218 281 P C 0.039 177.377 177.300 0.064 0.000 1.148 281 P CA 2.021 65.142 63.100 0.035 0.000 0.822 281 P CB 0.152 31.864 31.700 0.019 0.000 0.784 282 D N -4.037 116.407 120.400 0.072 0.000 2.779 282 D HA 0.150 4.791 4.640 0.002 0.000 0.331 282 D C -0.777 175.609 176.300 0.143 0.000 1.331 282 D CA -0.846 53.222 54.000 0.113 0.000 0.866 282 D CB -0.002 40.854 40.800 0.093 0.000 1.409 282 D HN 0.176 nan 8.370 nan 0.000 0.486 283 H N -2.525 116.619 119.070 0.123 0.000 2.525 283 H HA 0.790 5.347 4.556 0.001 0.000 0.340 283 H C 0.813 176.256 175.328 0.193 0.000 1.168 283 H CA -0.455 55.657 56.048 0.107 0.000 1.247 283 H CB 1.688 31.488 29.762 0.063 0.000 1.568 283 H HN 0.462 nan 8.280 nan 0.000 0.536 284 A N 1.185 124.145 122.820 0.233 0.000 2.015 284 A HA -0.125 4.196 4.320 0.002 0.000 0.219 284 A C 1.725 179.440 177.584 0.219 0.000 1.163 284 A CA 1.309 53.465 52.037 0.199 0.000 0.646 284 A CB -0.726 18.343 19.000 0.114 0.000 0.806 284 A HN 0.908 nan 8.150 nan 0.000 0.448 285 E N -0.830 119.545 120.200 0.293 0.000 2.418 285 E HA -0.084 4.267 4.350 0.002 0.000 0.197 285 E C 1.846 178.463 176.600 0.029 0.000 1.026 285 E CA 0.253 56.782 56.400 0.215 0.000 0.862 285 E CB -0.059 29.817 29.700 0.292 0.000 0.799 285 E HN 0.530 nan 8.360 nan 0.000 0.518 286 R N -0.314 120.020 120.500 -0.277 0.000 2.323 286 R HA -0.043 4.298 4.340 0.002 0.000 0.198 286 R C 0.254 176.148 176.300 -0.676 0.000 0.988 286 R CA 0.705 56.484 56.100 -0.535 0.000 1.041 286 R CB 0.290 30.082 30.300 -0.846 0.000 0.926 286 R HN 0.192 nan 8.270 nan 0.000 0.476 287 Y N -1.688 118.560 120.300 -0.087 0.000 2.717 287 Y HA 0.175 4.726 4.550 0.001 0.000 0.250 287 Y C 1.052 176.942 175.900 -0.015 0.000 1.149 287 Y CA -0.461 57.604 58.100 -0.057 0.000 1.211 287 Y CB 0.441 38.846 38.460 -0.093 0.000 1.289 287 Y HN -0.088 nan 8.280 nan 0.000 0.552 288 L N -0.020 121.259 121.223 0.094 0.000 2.081 288 L HA -0.278 4.063 4.340 0.002 0.000 0.212 288 L C 2.378 179.292 176.870 0.073 0.000 1.080 288 L CA 2.058 56.945 54.840 0.079 0.000 0.754 288 L CB -0.639 41.452 42.059 0.054 0.000 0.893 288 L HN 0.374 nan 8.230 nan 0.000 0.433 289 S N 0.050 115.786 115.700 0.060 0.000 2.474 289 S HA -0.102 4.369 4.470 0.002 0.000 0.235 289 S C 1.600 176.249 174.600 0.083 0.000 0.997 289 S CA 1.182 59.416 58.200 0.056 0.000 0.949 289 S CB -0.331 62.890 63.200 0.034 0.000 0.766 289 S HN 0.698 nan 8.310 nan 0.000 0.517 290 I N -3.484 117.161 120.570 0.125 0.000 4.774 290 I HA 0.509 4.680 4.170 0.002 0.000 0.330 290 I C 0.235 176.485 176.117 0.221 0.000 1.287 290 I CA -0.656 60.746 61.300 0.170 0.000 1.311 290 I CB 0.207 38.333 38.000 0.210 0.000 1.315 290 I HN 0.169 nan 8.210 nan 0.000 0.459 291 L N 0.000 121.329 121.223 0.176 0.000 2.949 291 L HA 0.000 4.341 4.340 0.002 0.000 0.249 291 L CA 0.000 54.919 54.840 0.131 0.000 0.813 291 L CB 0.000 42.067 42.059 0.013 0.000 0.961 291 L HN 0.000 nan 8.230 nan 0.000 0.502