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 1qzz_1_A DATA FIRST_RESID 10 DATA SEQUENCE LEPTDQDLDV LLKNLGNLVT PMALRVAATL RLVDHLLAGA DTLAGLADRT DATA SEQUENCE DTHPQALSRL VRHLTVVGVL EGGEKXGRPL RPTRLGMLLA DGHPAQQRAW DATA SEQUENCE LDLNGAVSHA DLAFTGLLDV VRTGRPAYAG RYGRPFWEDL SADVALADSF DATA SEQUENCE DALMSCDEDL AYEAPADAYD WSAVRHVLDV GGGNGGMLAA IALRAPHLRG DATA SEQUENCE TLVELAGPAE RARRRFADAG LADRVTVAEG DFFKPLPVTA DVVLLSFVLL DATA SEQUENCE NWSDEDALTI LRGCVRALEP GGRLLVLDRX XXXXXXADRF FSTLLDLRML DATA SEQUENCE TFMGGRVRTR DEVVDLAGSA GLALASERTS GSTTLPFDFS ILEFTAVS 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.869 176.870 -0.001 0.000 1.165 10 L CA 0.000 54.839 54.840 -0.001 0.000 0.813 10 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 11 E N 2.353 122.552 120.200 -0.002 0.000 2.155 11 E HA 0.444 4.794 4.350 -0.000 0.000 0.264 11 E C -2.388 174.210 176.600 -0.002 0.000 0.886 11 E CA -1.575 54.824 56.400 -0.002 0.000 0.752 11 E CB 2.140 31.839 29.700 -0.002 0.000 1.133 11 E HN 0.298 nan 8.360 nan 0.000 0.414 12 P HA 0.010 nan 4.420 nan 0.000 0.268 12 P C -0.034 177.264 177.300 -0.003 0.000 1.205 12 P CA -0.032 63.066 63.100 -0.003 0.000 0.771 12 P CB 0.466 32.165 31.700 -0.002 0.000 0.858 13 T N -1.824 112.728 114.554 -0.004 0.000 2.824 13 T HA 0.162 4.512 4.350 -0.000 0.000 0.277 13 T C 0.833 175.530 174.700 -0.004 0.000 0.975 13 T CA -0.555 61.543 62.100 -0.004 0.000 0.966 13 T CB 0.689 69.554 68.868 -0.005 0.000 1.054 13 T HN 0.213 nan 8.240 nan 0.000 0.533 14 D N 0.090 120.488 120.400 -0.004 0.000 2.178 14 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 14 D C 2.208 178.505 176.300 -0.005 0.000 0.974 14 D CA 1.215 55.213 54.000 -0.004 0.000 0.841 14 D CB -0.046 40.752 40.800 -0.004 0.000 0.953 14 D HN 0.665 nan 8.370 nan 0.000 0.478 15 Q N 0.408 120.204 119.800 -0.007 0.000 2.119 15 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 15 Q C 1.512 177.506 176.000 -0.009 0.000 0.972 15 Q CA 0.820 56.617 55.803 -0.009 0.000 0.847 15 Q CB 0.099 28.831 28.738 -0.010 0.000 0.903 15 Q HN 0.243 nan 8.270 nan 0.000 0.433 16 D N 0.951 121.346 120.400 -0.008 0.000 2.097 16 D HA -0.146 4.494 4.640 -0.000 0.000 0.195 16 D C 1.903 178.199 176.300 -0.006 0.000 0.989 16 D CA 0.808 54.803 54.000 -0.008 0.000 0.827 16 D CB -0.179 40.617 40.800 -0.006 0.000 0.966 16 D HN 0.100 nan 8.370 nan 0.000 0.456 17 L N 1.342 122.562 121.223 -0.004 0.000 2.042 17 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 17 L C 1.745 178.613 176.870 -0.003 0.000 1.076 17 L CA 1.866 56.704 54.840 -0.003 0.000 0.749 17 L CB -0.728 41.330 42.059 -0.002 0.000 0.893 17 L HN -0.123 nan 8.230 nan 0.000 0.432 18 D N -1.431 118.966 120.400 -0.004 0.000 2.097 18 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 18 D C 2.133 178.429 176.300 -0.007 0.000 0.989 18 D CA 1.453 55.450 54.000 -0.005 0.000 0.827 18 D CB 0.051 40.847 40.800 -0.007 0.000 0.966 18 D HN 0.200 nan 8.370 nan 0.000 0.456 19 V N 0.382 120.290 119.914 -0.010 0.000 2.427 19 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 19 V C 2.358 178.446 176.094 -0.010 0.000 1.051 19 V CA 1.245 63.536 62.300 -0.014 0.000 1.048 19 V CB -0.441 31.371 31.823 -0.018 0.000 0.666 19 V HN 0.298 nan 8.190 nan 0.000 0.456 20 L N -0.231 120.988 121.223 -0.006 0.000 2.027 20 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 20 L C 2.157 179.028 176.870 0.001 0.000 1.074 20 L CA 1.922 56.760 54.840 -0.003 0.000 0.745 20 L CB -0.512 41.546 42.059 -0.001 0.000 0.898 20 L HN 0.209 nan 8.230 nan 0.000 0.433 21 L N -0.868 120.357 121.223 0.003 0.000 2.093 21 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 21 L C 2.436 179.315 176.870 0.015 0.000 1.085 21 L CA 1.388 56.233 54.840 0.009 0.000 0.755 21 L CB -0.551 41.514 42.059 0.010 0.000 0.904 21 L HN 0.218 nan 8.230 nan 0.000 0.435 22 K N -0.882 119.523 120.400 0.009 0.000 2.262 22 K HA -0.003 4.317 4.320 -0.000 0.000 0.200 22 K C 1.443 178.047 176.600 0.007 0.000 1.049 22 K CA 0.705 56.998 56.287 0.011 0.000 0.979 22 K CB 0.185 32.683 32.500 -0.003 0.000 0.773 22 K HN 0.355 nan 8.250 nan 0.000 0.474 23 N N -0.031 118.668 118.700 -0.002 0.000 3.048 23 N HA 0.082 4.822 4.740 -0.000 0.000 0.225 23 N C 1.560 177.068 175.510 -0.005 0.000 1.103 23 N CA -0.088 52.956 53.050 -0.010 0.000 1.182 23 N CB 0.174 38.646 38.487 -0.026 0.000 1.553 23 N HN -0.163 nan 8.380 nan 0.000 0.584 24 L N 0.271 121.490 121.223 -0.007 0.000 2.079 24 L HA 0.013 4.352 4.340 -0.000 0.000 0.210 24 L C 2.060 178.931 176.870 0.001 0.000 1.081 24 L CA 1.489 56.328 54.840 -0.002 0.000 0.752 24 L CB -0.437 41.620 42.059 -0.003 0.000 0.896 24 L HN 0.438 nan 8.230 nan 0.000 0.433 25 G N -1.343 107.459 108.800 0.003 0.000 3.126 25 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.224 25 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.224 25 G C 0.391 175.297 174.900 0.010 0.000 1.142 25 G CA -0.392 44.712 45.100 0.006 0.000 0.759 25 G HN 0.332 nan 8.290 nan 0.000 0.550 26 N N 0.706 119.413 118.700 0.013 0.000 2.402 26 N HA 0.197 4.937 4.740 -0.000 0.000 0.259 26 N C 0.892 176.415 175.510 0.022 0.000 1.167 26 N CA -0.447 52.618 53.050 0.024 0.000 0.949 26 N CB 0.625 39.133 38.487 0.035 0.000 1.212 26 N HN 0.049 nan 8.380 nan 0.000 0.493 27 L N 4.921 126.154 121.223 0.018 0.000 2.590 27 L HA 0.167 4.507 4.340 -0.000 0.000 0.227 27 L C 1.274 178.154 176.870 0.015 0.000 1.099 27 L CA 0.437 55.287 54.840 0.017 0.000 0.872 27 L CB 0.480 42.548 42.059 0.015 0.000 1.088 27 L HN 0.421 nan 8.230 nan 0.000 0.479 28 V N -1.067 118.851 119.914 0.007 0.000 2.346 28 V HA -0.184 3.935 4.120 -0.000 0.000 0.244 28 V C 2.354 178.448 176.094 -0.001 0.000 1.037 28 V CA 2.141 64.423 62.300 -0.031 0.000 1.029 28 V CB -0.712 31.055 31.823 -0.093 0.000 0.663 28 V HN 0.425 nan 8.190 nan 0.000 0.454 29 T N 1.372 115.983 114.554 0.095 0.000 2.652 29 T HA -0.108 4.241 4.350 -0.000 0.000 0.267 29 T C -0.033 174.734 174.700 0.112 0.000 1.039 29 T CA 2.121 64.341 62.100 0.200 0.000 1.153 29 T CB -1.359 67.646 68.868 0.229 0.000 0.863 29 T HN 0.477 nan 8.240 nan 0.000 0.428 30 P HA -0.049 nan 4.420 nan 0.000 0.219 30 P C 1.452 178.794 177.300 0.071 0.000 1.146 30 P CA 1.086 64.225 63.100 0.066 0.000 0.808 30 P CB -0.129 31.600 31.700 0.049 0.000 0.779 31 M N -0.511 119.124 119.600 0.058 0.000 2.200 31 M HA 0.017 4.497 4.480 -0.000 0.000 0.265 31 M C 2.302 178.637 176.300 0.058 0.000 1.066 31 M CA 1.276 56.609 55.300 0.056 0.000 1.127 31 M CB -1.850 30.771 32.600 0.036 0.000 1.379 31 M HN -0.087 nan 8.290 nan 0.000 0.420 32 A N 0.443 123.298 122.820 0.058 0.000 1.908 32 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 32 A C 2.166 179.804 177.584 0.090 0.000 1.181 32 A CA 1.178 53.262 52.037 0.079 0.000 0.627 32 A CB -0.736 18.347 19.000 0.139 0.000 0.818 32 A HN 0.355 nan 8.150 nan 0.000 0.445 33 L N -0.524 120.754 121.223 0.091 0.000 2.046 33 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 33 L C 2.655 179.575 176.870 0.084 0.000 1.077 33 L CA 1.867 56.756 54.840 0.081 0.000 0.747 33 L CB -1.202 40.901 42.059 0.073 0.000 0.896 33 L HN 0.455 nan 8.230 nan 0.000 0.432 34 R N -1.213 119.341 120.500 0.090 0.000 2.075 34 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 34 R C 2.232 178.584 176.300 0.086 0.000 1.126 34 R CA 1.013 57.172 56.100 0.098 0.000 0.963 34 R CB -0.304 30.061 30.300 0.109 0.000 0.858 34 R HN 0.168 nan 8.270 nan 0.000 0.435 35 V N 0.976 120.936 119.914 0.077 0.000 2.407 35 V HA -0.238 3.881 4.120 -0.000 0.000 0.248 35 V C 2.399 178.537 176.094 0.072 0.000 1.055 35 V CA 1.928 64.269 62.300 0.070 0.000 1.049 35 V CB -0.641 31.218 31.823 0.060 0.000 0.662 35 V HN 0.415 nan 8.190 nan 0.000 0.455 36 A N 0.087 122.951 122.820 0.073 0.000 1.877 36 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 36 A C 2.440 180.064 177.584 0.066 0.000 1.186 36 A CA 2.170 54.250 52.037 0.070 0.000 0.620 36 A CB -0.838 18.202 19.000 0.066 0.000 0.822 36 A HN 0.566 nan 8.150 nan 0.000 0.443 37 A N -1.100 121.761 122.820 0.067 0.000 1.902 37 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 37 A C 2.285 179.904 177.584 0.058 0.000 1.181 37 A CA 2.282 54.356 52.037 0.063 0.000 0.623 37 A CB -1.264 17.785 19.000 0.081 0.000 0.818 37 A HN 0.436 nan 8.150 nan 0.000 0.443 38 T N 0.295 114.888 114.554 0.066 0.000 2.867 38 T HA -0.011 4.339 4.350 -0.000 0.000 0.268 38 T C 1.497 176.237 174.700 0.066 0.000 1.057 38 T CA 1.255 63.392 62.100 0.062 0.000 1.136 38 T CB -0.272 68.636 68.868 0.066 0.000 0.874 38 T HN 0.360 nan 8.240 nan 0.000 0.466 39 L N 0.222 121.493 121.223 0.081 0.000 2.591 39 L HA 0.270 4.610 4.340 -0.000 0.000 0.228 39 L C 0.786 177.750 176.870 0.157 0.000 1.133 39 L CA 0.064 54.975 54.840 0.118 0.000 0.880 39 L CB -0.235 41.891 42.059 0.113 0.000 1.033 39 L HN 0.176 nan 8.230 nan 0.000 0.450 40 R N -1.443 119.090 120.500 0.056 0.000 3.627 40 R HA -0.238 4.102 4.340 -0.000 0.000 0.281 40 R C 1.251 177.518 176.300 -0.055 0.000 1.140 40 R CA 0.086 56.140 56.100 -0.076 0.000 0.761 40 R CB -1.968 28.176 30.300 -0.261 0.000 1.181 40 R HN 0.195 nan 8.270 nan 0.000 0.472 41 L N 0.186 121.466 121.223 0.096 0.000 2.021 41 L HA -0.238 4.102 4.340 -0.000 0.000 0.215 41 L C 2.338 179.253 176.870 0.075 0.000 1.074 41 L CA 2.228 57.150 54.840 0.136 0.000 0.760 41 L CB -0.477 41.640 42.059 0.097 0.000 0.889 41 L HN 0.241 nan 8.230 nan 0.000 0.433 42 V N -0.616 119.314 119.914 0.026 0.000 2.427 42 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 42 V C 2.175 178.262 176.094 -0.011 0.000 1.051 42 V CA 1.735 64.043 62.300 0.013 0.000 1.048 42 V CB -0.624 31.203 31.823 0.007 0.000 0.666 42 V HN 0.445 nan 8.190 nan 0.000 0.456 43 D N -0.609 119.745 120.400 -0.077 0.000 2.097 43 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 43 D C 2.037 178.279 176.300 -0.097 0.000 0.989 43 D CA 1.659 55.584 54.000 -0.125 0.000 0.827 43 D CB -0.351 40.304 40.800 -0.242 0.000 0.966 43 D HN 0.612 nan 8.370 nan 0.000 0.456 44 H N -0.017 119.065 119.070 0.019 0.000 2.421 44 H HA 0.020 4.576 4.556 0.000 0.000 0.298 44 H C 2.229 177.566 175.328 0.014 0.000 1.087 44 H CA 0.487 56.544 56.048 0.016 0.000 1.330 44 H CB 0.049 29.821 29.762 0.016 0.000 1.388 44 H HN 0.072 nan 8.280 nan 0.000 0.526 45 L N -0.063 121.232 121.223 0.119 0.000 2.056 45 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 45 L C 2.012 178.912 176.870 0.049 0.000 1.078 45 L CA 0.836 55.720 54.840 0.072 0.000 0.749 45 L CB -0.291 41.800 42.059 0.053 0.000 0.901 45 L HN 0.261 nan 8.230 nan 0.000 0.433 46 L N -0.161 121.084 121.223 0.036 0.000 2.275 46 L HA -0.112 4.228 4.340 -0.000 0.000 0.215 46 L C 2.374 179.261 176.870 0.027 0.000 1.119 46 L CA 0.723 55.578 54.840 0.025 0.000 0.790 46 L CB -0.487 41.581 42.059 0.014 0.000 0.919 46 L HN 0.221 nan 8.230 nan 0.000 0.443 47 A N -0.931 121.912 122.820 0.039 0.000 2.278 47 A HA 0.407 4.727 4.320 -0.000 0.000 0.212 47 A C 1.651 179.262 177.584 0.046 0.000 1.213 47 A CA 0.729 52.792 52.037 0.044 0.000 0.840 47 A CB -0.225 18.811 19.000 0.061 0.000 0.866 47 A HN 0.488 nan 8.150 nan 0.000 0.489 48 G N -1.807 107.018 108.800 0.042 0.000 2.380 48 G HA2 0.156 4.116 3.960 -0.000 0.000 0.197 48 G HA3 0.156 4.116 3.960 -0.000 0.000 0.197 48 G C 0.531 175.451 174.900 0.033 0.000 1.001 48 G CA -0.097 45.023 45.100 0.033 0.000 0.668 48 G HN 1.493 nan 8.290 nan 0.000 0.483 49 A N 1.189 124.037 122.820 0.046 0.000 2.511 49 A HA 0.506 4.826 4.320 -0.000 0.000 0.242 49 A C 0.893 178.496 177.584 0.032 0.000 1.069 49 A CA 1.447 53.505 52.037 0.036 0.000 0.763 49 A CB 0.152 19.180 19.000 0.047 0.000 1.001 49 A HN 1.048 nan 8.150 nan 0.000 0.498 50 D N 0.056 120.468 120.400 0.021 0.000 2.567 50 D HA 0.109 4.749 4.640 -0.000 0.000 0.268 50 D C 0.047 176.355 176.300 0.013 0.000 1.448 50 D CA 0.592 54.603 54.000 0.018 0.000 0.811 50 D CB -0.676 40.133 40.800 0.015 0.000 1.192 50 D HN 0.570 nan 8.370 nan 0.000 0.488 51 T N -2.575 111.985 114.554 0.010 0.000 2.906 51 T HA 0.440 4.790 4.350 -0.000 0.000 0.295 51 T C 0.796 175.498 174.700 0.003 0.000 1.075 51 T CA -0.850 61.253 62.100 0.005 0.000 1.005 51 T CB 2.105 70.973 68.868 -0.000 0.000 1.136 51 T HN -0.081 nan 8.240 nan 0.000 0.498 52 L N 1.953 123.177 121.223 0.002 0.000 2.046 52 L HA 0.157 4.497 4.340 -0.000 0.000 0.208 52 L C 2.713 179.576 176.870 -0.012 0.000 1.077 52 L CA 2.544 57.384 54.840 -0.000 0.000 0.747 52 L CB -1.129 40.930 42.059 -0.000 0.000 0.896 52 L HN 0.948 nan 8.230 nan 0.000 0.432 53 A N -0.730 122.080 122.820 -0.018 0.000 1.969 53 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 53 A C 2.294 179.861 177.584 -0.029 0.000 1.169 53 A CA 1.257 53.277 52.037 -0.028 0.000 0.635 53 A CB -1.443 17.540 19.000 -0.027 0.000 0.810 53 A HN 0.536 nan 8.150 nan 0.000 0.445 54 G N -0.202 108.586 108.800 -0.021 0.000 2.433 54 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 54 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 54 G C 1.560 176.437 174.900 -0.038 0.000 1.186 54 G CA 0.934 46.020 45.100 -0.024 0.000 0.779 54 G HN 0.384 nan 8.290 nan 0.000 0.543 55 L N 0.549 121.758 121.223 -0.024 0.000 2.046 55 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 55 L C 3.423 180.260 176.870 -0.056 0.000 1.077 55 L CA 1.303 56.125 54.840 -0.030 0.000 0.747 55 L CB -0.444 41.621 42.059 0.011 0.000 0.896 55 L HN 0.355 nan 8.230 nan 0.000 0.432 56 A N 0.179 122.977 122.820 -0.037 0.000 1.883 56 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 56 A C 1.901 179.452 177.584 -0.055 0.000 1.186 56 A CA 2.173 54.188 52.037 -0.037 0.000 0.624 56 A CB -0.774 18.204 19.000 -0.036 0.000 0.822 56 A HN 0.571 nan 8.150 nan 0.000 0.444 57 D N -0.818 119.547 120.400 -0.060 0.000 2.104 57 D HA -0.207 4.433 4.640 -0.000 0.000 0.194 57 D C 1.932 178.176 176.300 -0.094 0.000 0.994 57 D CA 1.683 55.645 54.000 -0.063 0.000 0.830 57 D CB -0.163 40.606 40.800 -0.052 0.000 0.959 57 D HN 0.319 nan 8.370 nan 0.000 0.452 58 R N -1.028 119.382 120.500 -0.150 0.000 2.189 58 R HA 0.068 4.408 4.340 -0.000 0.000 0.218 58 R C 2.064 178.182 176.300 -0.304 0.000 1.074 58 R CA 1.611 57.550 56.100 -0.270 0.000 0.991 58 R CB -0.283 29.743 30.300 -0.457 0.000 0.883 58 R HN 0.446 nan 8.270 nan 0.000 0.457 59 T N -2.884 111.554 114.554 -0.194 0.000 3.069 59 T HA 0.101 4.450 4.350 -0.000 0.000 0.252 59 T C -0.118 174.562 174.700 -0.032 0.000 1.053 59 T CA -0.241 61.803 62.100 -0.093 0.000 0.964 59 T CB 0.177 69.030 68.868 -0.025 0.000 1.005 59 T HN 0.040 nan 8.240 nan 0.000 0.532 60 D N 2.481 122.858 120.400 -0.039 0.000 2.723 60 D HA -0.127 4.513 4.640 -0.000 0.000 0.236 60 D C 0.176 176.483 176.300 0.012 0.000 1.138 60 D CA 1.509 55.502 54.000 -0.012 0.000 0.676 60 D CB -1.788 39.010 40.800 -0.004 0.000 1.069 60 D HN 0.775 nan 8.370 nan 0.000 0.430 61 T N -3.198 111.364 114.554 0.014 0.000 2.952 61 T HA 0.303 4.653 4.350 -0.000 0.000 0.286 61 T C 0.177 174.917 174.700 0.067 0.000 1.024 61 T CA -0.867 61.263 62.100 0.050 0.000 1.029 61 T CB 2.429 71.328 68.868 0.050 0.000 1.094 61 T HN 0.200 nan 8.240 nan 0.000 0.515 62 H N 2.233 121.304 119.070 0.002 0.000 3.082 62 H HA 0.138 4.693 4.556 -0.001 0.000 0.275 62 H C -1.865 173.465 175.328 0.002 0.000 1.032 62 H CA -1.601 54.448 56.048 0.001 0.000 1.477 62 H CB 0.960 30.724 29.762 0.003 0.000 1.520 62 H HN 0.354 nan 8.280 nan 0.000 0.521 63 P HA -0.210 nan 4.420 nan 0.000 0.215 63 P C 1.585 178.829 177.300 -0.093 0.000 1.157 63 P CA 1.375 64.382 63.100 -0.155 0.000 0.874 63 P CB 0.192 31.782 31.700 -0.183 0.000 0.790 64 Q N -0.876 118.828 119.800 -0.159 0.000 2.046 64 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 64 Q C 2.122 178.222 176.000 0.166 0.000 0.975 64 Q CA 1.645 57.474 55.803 0.043 0.000 0.836 64 Q CB -0.627 28.173 28.738 0.103 0.000 0.896 64 Q HN 0.082 nan 8.270 nan 0.000 0.428 65 A N 0.755 123.802 122.820 0.378 0.000 1.908 65 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 65 A C 1.981 179.634 177.584 0.116 0.000 1.181 65 A CA 1.413 53.571 52.037 0.202 0.000 0.627 65 A CB -0.763 18.329 19.000 0.154 0.000 0.818 65 A HN 0.482 nan 8.150 nan 0.000 0.445 66 L N 0.708 121.997 121.223 0.110 0.000 2.046 66 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 66 L C 2.782 179.687 176.870 0.058 0.000 1.077 66 L CA 2.668 57.550 54.840 0.070 0.000 0.747 66 L CB -0.609 41.481 42.059 0.051 0.000 0.896 66 L HN 0.520 nan 8.230 nan 0.000 0.432 67 S N -0.545 115.185 115.700 0.050 0.000 2.383 67 S HA -0.256 4.214 4.470 -0.000 0.000 0.229 67 S C 2.133 176.764 174.600 0.052 0.000 1.030 67 S CA 1.329 59.554 58.200 0.042 0.000 1.002 67 S CB -0.597 62.621 63.200 0.030 0.000 0.829 67 S HN 0.568 nan 8.310 nan 0.000 0.467 68 R N 0.327 120.862 120.500 0.059 0.000 2.090 68 R HA 0.157 4.497 4.340 -0.000 0.000 0.228 68 R C 2.458 178.801 176.300 0.072 0.000 1.110 68 R CA 1.222 57.357 56.100 0.059 0.000 0.973 68 R CB -0.618 29.711 30.300 0.049 0.000 0.869 68 R HN 0.456 nan 8.270 nan 0.000 0.440 69 L N 0.580 121.844 121.223 0.068 0.000 2.056 69 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 69 L C 1.956 178.889 176.870 0.106 0.000 1.078 69 L CA 1.497 56.386 54.840 0.081 0.000 0.749 69 L CB -0.151 41.947 42.059 0.065 0.000 0.901 69 L HN -0.102 nan 8.230 nan 0.000 0.433 70 V N 0.108 120.069 119.914 0.078 0.000 2.427 70 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 70 V C 2.727 178.858 176.094 0.063 0.000 1.051 70 V CA 1.957 64.296 62.300 0.065 0.000 1.048 70 V CB -0.692 31.160 31.823 0.048 0.000 0.666 70 V HN 0.466 nan 8.190 nan 0.000 0.456 71 R N -0.891 119.650 120.500 0.069 0.000 2.083 71 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 71 R C 2.392 178.735 176.300 0.070 0.000 1.137 71 R CA 1.731 57.867 56.100 0.059 0.000 0.951 71 R CB -0.661 29.678 30.300 0.064 0.000 0.851 71 R HN 0.616 nan 8.270 nan 0.000 0.434 72 H N 1.113 120.192 119.070 0.015 0.000 2.321 72 H HA -0.064 4.492 4.556 0.000 0.000 0.300 72 H C 2.097 177.432 175.328 0.012 0.000 1.087 72 H CA 1.489 57.545 56.048 0.013 0.000 1.319 72 H CB 0.063 29.834 29.762 0.015 0.000 1.379 72 H HN 0.140 nan 8.280 nan 0.000 0.501 73 L N 0.056 121.315 121.223 0.060 0.000 2.191 73 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 73 L C 2.543 179.389 176.870 -0.040 0.000 1.103 73 L CA 1.275 56.120 54.840 0.008 0.000 0.769 73 L CB -0.281 41.810 42.059 0.054 0.000 0.908 73 L HN 0.286 nan 8.230 nan 0.000 0.438 74 T N -0.897 113.637 114.554 -0.032 0.000 2.809 74 T HA -0.101 4.249 4.350 -0.000 0.000 0.260 74 T C 2.008 176.668 174.700 -0.066 0.000 1.039 74 T CA 1.118 63.198 62.100 -0.034 0.000 1.141 74 T CB -0.074 68.787 68.868 -0.011 0.000 0.869 74 T HN 0.050 nan 8.240 nan 0.000 0.437 75 V N 2.505 122.360 119.914 -0.098 0.000 2.332 75 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 75 V C 2.723 178.729 176.094 -0.146 0.000 1.055 75 V CA 1.886 64.115 62.300 -0.119 0.000 1.038 75 V CB -1.118 30.620 31.823 -0.140 0.000 0.651 75 V HN 0.560 nan 8.190 nan 0.000 0.450 76 V N -1.151 118.632 119.914 -0.219 0.000 3.573 76 V HA 0.495 4.615 4.120 -0.000 0.000 0.270 76 V C 1.442 177.477 176.094 -0.098 0.000 1.221 76 V CA 0.850 63.044 62.300 -0.176 0.000 1.163 76 V CB -0.657 31.023 31.823 -0.237 0.000 0.847 76 V HN 0.877 nan 8.190 nan 0.000 0.468 77 G N -0.564 108.189 108.800 -0.078 0.000 2.130 77 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 77 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 77 G C 0.312 175.190 174.900 -0.037 0.000 0.999 77 G CA 0.253 45.323 45.100 -0.050 0.000 0.686 77 G HN 0.663 nan 8.290 nan 0.000 0.515 78 V N -0.445 119.450 119.914 -0.032 0.000 2.795 78 V HA 0.425 4.545 4.120 -0.000 0.000 0.243 78 V C 1.433 177.522 176.094 -0.008 0.000 1.069 78 V CA 1.414 63.704 62.300 -0.017 0.000 1.089 78 V CB 0.116 31.936 31.823 -0.004 0.000 0.756 78 V HN 0.379 nan 8.190 nan 0.000 0.471 79 L N 0.204 121.423 121.223 -0.007 0.000 2.301 79 L HA 0.655 4.995 4.340 -0.000 0.000 0.264 79 L C -0.444 176.423 176.870 -0.004 0.000 1.016 79 L CA -0.518 54.323 54.840 0.001 0.000 0.821 79 L CB 2.126 44.192 42.059 0.012 0.000 1.346 79 L HN 0.335 nan 8.230 nan 0.000 0.429 80 E N -0.336 119.864 120.200 0.000 0.000 2.458 80 E HA 0.722 5.072 4.350 -0.000 0.000 0.278 80 E C -0.339 176.263 176.600 0.003 0.000 1.004 80 E CA -0.554 55.845 56.400 -0.002 0.000 0.823 80 E CB 1.998 31.696 29.700 -0.004 0.000 1.396 80 E HN 0.770 nan 8.360 nan 0.000 0.463 81 G N -0.676 108.125 108.800 0.002 0.000 2.750 81 G HA2 0.174 4.134 3.960 -0.000 0.000 0.228 81 G HA3 0.174 4.134 3.960 -0.000 0.000 0.228 81 G C 0.759 175.662 174.900 0.006 0.000 1.367 81 G CA 0.490 45.592 45.100 0.004 0.000 0.871 81 G HN 1.945 nan 8.290 nan 0.000 0.560 82 G N -1.295 107.509 108.800 0.007 0.000 2.198 82 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.257 82 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.257 82 G C 0.603 175.507 174.900 0.006 0.000 1.042 82 G CA 1.253 46.358 45.100 0.008 0.000 0.791 82 G HN 1.603 nan 8.290 nan 0.000 0.502 83 E N 0.541 120.743 120.200 0.005 0.000 2.505 83 E HA 0.035 4.385 4.350 -0.000 0.000 0.208 83 E C 1.148 177.751 176.600 0.004 0.000 1.148 83 E CA 0.926 57.328 56.400 0.004 0.000 0.926 83 E CB -0.240 29.462 29.700 0.002 0.000 0.873 83 E HN 0.819 nan 8.360 nan 0.000 0.595 87 R N 1.625 122.127 120.500 0.003 0.000 2.615 87 R HA 0.528 4.867 4.340 -0.000 0.000 0.270 87 R C -2.101 174.202 176.300 0.005 0.000 1.081 87 R CA -1.301 54.801 56.100 0.004 0.000 1.154 87 R CB 0.543 30.845 30.300 0.003 0.000 1.063 87 R HN 0.089 nan 8.270 nan 0.000 0.519 88 P HA 0.052 nan 4.420 nan 0.000 0.285 88 P C -1.031 176.275 177.300 0.010 0.000 1.259 88 P CA -0.497 62.608 63.100 0.008 0.000 0.794 88 P CB 0.951 32.656 31.700 0.008 0.000 0.940 89 L N 4.483 125.713 121.223 0.012 0.000 2.455 89 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 89 L C 0.553 177.433 176.870 0.017 0.000 1.174 89 L CA 0.633 55.482 54.840 0.015 0.000 0.869 89 L CB -0.553 41.517 42.059 0.018 0.000 1.130 89 L HN 0.547 nan 8.230 nan 0.000 0.474 90 R N 5.150 125.660 120.500 0.016 0.000 2.680 90 R HA 0.607 4.947 4.340 -0.000 0.000 0.269 90 R C -2.992 173.316 176.300 0.013 0.000 1.026 90 R CA -1.616 54.493 56.100 0.015 0.000 0.889 90 R CB 2.229 32.536 30.300 0.011 0.000 1.241 90 R HN 0.362 nan 8.270 nan 0.000 0.463 91 P HA 0.167 nan 4.420 nan 0.000 0.277 91 P C -0.517 176.783 177.300 0.001 0.000 1.240 91 P CA -0.250 62.854 63.100 0.007 0.000 0.798 91 P CB 1.203 32.907 31.700 0.007 0.000 0.979 92 T N -1.335 113.215 114.554 -0.006 0.000 2.810 92 T HA 0.276 4.626 4.350 -0.000 0.000 0.277 92 T C 1.357 176.049 174.700 -0.012 0.000 0.973 92 T CA -0.556 61.539 62.100 -0.009 0.000 0.949 92 T CB 0.680 69.539 68.868 -0.015 0.000 1.075 92 T HN 0.311 nan 8.240 nan 0.000 0.537 93 R N -0.615 119.878 120.500 -0.012 0.000 2.096 93 R HA -0.110 4.230 4.340 -0.000 0.000 0.240 93 R C 2.275 178.556 176.300 -0.031 0.000 1.139 93 R CA 1.509 57.601 56.100 -0.014 0.000 0.952 93 R CB -0.638 29.657 30.300 -0.010 0.000 0.854 93 R HN 0.611 nan 8.270 nan 0.000 0.436 94 L N 0.746 121.948 121.223 -0.035 0.000 2.017 94 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 94 L C 2.112 178.947 176.870 -0.059 0.000 1.073 94 L CA 2.526 57.336 54.840 -0.050 0.000 0.745 94 L CB -1.815 40.220 42.059 -0.041 0.000 0.894 94 L HN 0.341 nan 8.230 nan 0.000 0.432 95 G N -0.196 108.581 108.800 -0.038 0.000 2.462 95 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 95 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 95 G C 1.450 176.327 174.900 -0.038 0.000 1.121 95 G CA 0.878 45.960 45.100 -0.030 0.000 0.758 95 G HN 0.369 nan 8.290 nan 0.000 0.559 96 M N 0.220 119.793 119.600 -0.044 0.000 2.530 96 M HA 0.111 4.591 4.480 -0.000 0.000 0.261 96 M C 2.313 178.546 176.300 -0.112 0.000 1.067 96 M CA 0.457 55.733 55.300 -0.040 0.000 1.071 96 M CB -0.843 31.752 32.600 -0.010 0.000 1.405 96 M HN 0.242 nan 8.290 nan 0.000 0.478 97 L N -0.749 120.361 121.223 -0.189 0.000 2.201 97 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 97 L C 1.921 178.719 176.870 -0.119 0.000 1.105 97 L CA 0.657 55.309 54.840 -0.313 0.000 0.775 97 L CB -0.353 41.559 42.059 -0.245 0.000 0.913 97 L HN 0.272 nan 8.230 nan 0.000 0.440 98 L N -0.402 120.793 121.223 -0.046 0.000 2.591 98 L HA 0.150 4.490 4.340 -0.000 0.000 0.228 98 L C 1.262 178.143 176.870 0.018 0.000 1.133 98 L CA -0.528 54.316 54.840 0.007 0.000 0.880 98 L CB -0.502 41.566 42.059 0.015 0.000 1.033 98 L HN 0.102 nan 8.230 nan 0.000 0.450 99 A N 0.492 123.324 122.820 0.020 0.000 2.511 99 A HA -0.096 4.224 4.320 -0.000 0.000 0.242 99 A C 1.134 178.749 177.584 0.051 0.000 1.069 99 A CA -0.009 52.047 52.037 0.031 0.000 0.763 99 A CB 0.200 19.229 19.000 0.048 0.000 1.001 99 A HN 0.244 nan 8.150 nan 0.000 0.498 100 D N 2.304 122.716 120.400 0.020 0.000 2.203 100 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 100 D C 1.555 177.881 176.300 0.043 0.000 0.997 100 D CA 2.201 56.214 54.000 0.021 0.000 0.863 100 D CB -0.018 40.777 40.800 -0.008 0.000 0.928 100 D HN 0.615 nan 8.370 nan 0.000 0.458 101 G N -1.582 107.250 108.800 0.052 0.000 3.502 101 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.267 101 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.267 101 G C 0.239 175.178 174.900 0.065 0.000 1.090 101 G CA -0.386 44.742 45.100 0.046 0.000 0.795 101 G HN 0.301 nan 8.290 nan 0.000 0.535 102 H N 1.466 120.549 119.070 0.022 0.000 2.848 102 H HA 0.110 4.665 4.556 -0.000 0.000 0.341 102 H C -1.531 173.820 175.328 0.038 0.000 1.060 102 H CA -1.026 55.038 56.048 0.027 0.000 1.444 102 H CB 2.154 31.934 29.762 0.030 0.000 1.446 102 H HN -0.038 nan 8.280 nan 0.000 0.583 103 P HA -0.025 nan 4.420 nan 0.000 0.230 103 P C 0.730 178.076 177.300 0.076 0.000 1.158 103 P CA 1.023 64.069 63.100 -0.089 0.000 0.769 103 P CB 0.165 31.757 31.700 -0.181 0.000 0.807 104 A N -0.492 122.494 122.820 0.277 0.000 2.208 104 A HA -0.074 4.246 4.320 -0.000 0.000 0.209 104 A C 1.084 178.857 177.584 0.315 0.000 1.161 104 A CA 0.259 52.468 52.037 0.287 0.000 0.782 104 A CB -0.859 18.329 19.000 0.313 0.000 0.816 104 A HN 0.137 nan 8.150 nan 0.000 0.477 105 Q N -1.308 118.673 119.800 0.302 0.000 2.461 105 Q HA -0.279 4.061 4.340 -0.000 0.000 0.264 105 Q C 0.735 176.976 176.000 0.401 0.000 1.085 105 Q CA 0.722 56.697 55.803 0.287 0.000 1.006 105 Q CB -1.064 27.820 28.738 0.243 0.000 1.437 105 Q HN 0.680 nan 8.270 nan 0.000 0.514 106 Q N 0.119 120.104 119.800 0.309 0.000 2.226 106 Q HA -0.114 4.226 4.340 -0.000 0.000 0.204 106 Q C 1.841 177.981 176.000 0.233 0.000 0.975 106 Q CA 1.143 57.111 55.803 0.275 0.000 0.866 106 Q CB -0.130 28.669 28.738 0.103 0.000 0.915 106 Q HN 0.465 nan 8.270 nan 0.000 0.440 107 R N 0.081 120.677 120.500 0.161 0.000 2.092 107 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 107 R C 1.924 178.290 176.300 0.110 0.000 1.119 107 R CA 1.173 57.340 56.100 0.111 0.000 0.970 107 R CB 0.003 30.344 30.300 0.068 0.000 0.864 107 R HN 0.188 nan 8.270 nan 0.000 0.440 108 A N -0.090 122.790 122.820 0.100 0.000 1.897 108 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 108 A C 1.809 179.403 177.584 0.017 0.000 1.181 108 A CA 0.913 52.957 52.037 0.012 0.000 0.620 108 A CB -0.872 18.081 19.000 -0.078 0.000 0.821 108 A HN 0.491 nan 8.150 nan 0.000 0.443 109 W N 0.081 121.420 121.300 0.065 0.000 2.338 109 W HA -0.101 4.559 4.660 -0.000 0.000 0.304 109 W C 1.892 178.473 176.519 0.103 0.000 1.212 109 W CA 1.309 58.706 57.345 0.087 0.000 1.264 109 W CB -0.373 29.138 29.460 0.086 0.000 1.142 109 W HN 0.207 nan 8.180 nan 0.000 0.512 110 L N -0.428 120.978 121.223 0.304 0.000 2.492 110 L HA 0.017 4.357 4.340 -0.000 0.000 0.223 110 L C 0.610 177.574 176.870 0.157 0.000 1.132 110 L CA 0.068 55.038 54.840 0.217 0.000 0.850 110 L CB -0.706 41.455 42.059 0.170 0.000 0.966 110 L HN -0.235 nan 8.230 nan 0.000 0.454 111 D N 0.971 121.446 120.400 0.125 0.000 2.426 111 D HA -0.056 4.584 4.640 -0.000 0.000 0.261 111 D C 1.141 177.493 176.300 0.088 0.000 1.245 111 D CA 0.455 54.505 54.000 0.083 0.000 0.917 111 D CB 0.844 41.671 40.800 0.044 0.000 1.123 111 D HN 0.077 nan 8.370 nan 0.000 0.508 112 L N 3.623 124.899 121.223 0.089 0.000 2.275 112 L HA -0.139 4.201 4.340 -0.000 0.000 0.215 112 L C 1.791 178.698 176.870 0.062 0.000 1.119 112 L CA 0.454 55.358 54.840 0.107 0.000 0.790 112 L CB -0.267 41.855 42.059 0.106 0.000 0.919 112 L HN 0.392 nan 8.230 nan 0.000 0.443 113 N N 0.213 118.922 118.700 0.014 0.000 2.396 113 N HA -0.026 4.714 4.740 -0.000 0.000 0.180 113 N C 0.969 176.429 175.510 -0.082 0.000 1.028 113 N CA 0.705 53.723 53.050 -0.053 0.000 0.893 113 N CB -0.109 38.355 38.487 -0.038 0.000 0.967 113 N HN 0.257 nan 8.380 nan 0.000 0.440 114 G N -0.744 108.043 108.800 -0.023 0.000 2.537 114 G HA2 0.453 4.413 3.960 -0.000 0.000 0.273 114 G HA3 0.453 4.413 3.960 -0.000 0.000 0.273 114 G C 0.965 175.879 174.900 0.022 0.000 1.189 114 G CA 0.094 45.183 45.100 -0.019 0.000 0.881 114 G HN 0.155 nan 8.290 nan 0.000 0.535 115 A N 0.378 123.220 122.820 0.036 0.000 1.902 115 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 115 A C 2.508 180.219 177.584 0.213 0.000 1.181 115 A CA 1.942 54.035 52.037 0.092 0.000 0.623 115 A CB -0.595 18.462 19.000 0.094 0.000 0.818 115 A HN 0.554 nan 8.150 nan 0.000 0.443 116 V N -0.761 119.317 119.914 0.272 0.000 2.307 116 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 116 V C 2.782 179.083 176.094 0.345 0.000 1.045 116 V CA 2.323 64.855 62.300 0.387 0.000 1.024 116 V CB -0.824 31.235 31.823 0.394 0.000 0.651 116 V HN 0.614 nan 8.190 nan 0.000 0.449 117 S N -1.522 114.349 115.700 0.285 0.000 2.368 117 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 117 S C 2.090 176.836 174.600 0.242 0.000 1.029 117 S CA 1.526 59.887 58.200 0.268 0.000 0.988 117 S CB -0.522 62.809 63.200 0.218 0.000 0.838 117 S HN 0.758 nan 8.310 nan 0.000 0.462 118 H N 0.552 119.676 119.070 0.089 0.000 2.319 118 H HA -0.123 4.433 4.556 -0.000 0.000 0.297 118 H C 2.148 177.539 175.328 0.106 0.000 1.097 118 H CA 1.625 57.694 56.048 0.036 0.000 1.285 118 H CB -0.315 29.376 29.762 -0.117 0.000 1.368 118 H HN 0.503 nan 8.280 nan 0.000 0.495 119 A N 0.668 123.509 122.820 0.035 0.000 1.929 119 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 119 A C 2.066 179.611 177.584 -0.065 0.000 1.176 119 A CA 1.456 53.374 52.037 -0.197 0.000 0.628 119 A CB -0.273 18.078 19.000 -1.082 0.000 0.816 119 A HN 0.430 nan 8.150 nan 0.000 0.444 120 D N 0.326 120.881 120.400 0.257 0.000 2.190 120 D HA -0.143 4.497 4.640 -0.000 0.000 0.200 120 D C 1.814 178.396 176.300 0.469 0.000 0.992 120 D CA 0.926 55.296 54.000 0.616 0.000 0.854 120 D CB -0.289 40.791 40.800 0.466 0.000 0.936 120 D HN 0.487 nan 8.370 nan 0.000 0.462 121 L N 0.277 121.642 121.223 0.238 0.000 2.191 121 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 121 L C 2.297 179.204 176.870 0.062 0.000 1.103 121 L CA 0.835 55.757 54.840 0.135 0.000 0.769 121 L CB -0.508 41.591 42.059 0.065 0.000 0.908 121 L HN -0.027 nan 8.230 nan 0.000 0.438 122 A N -0.536 122.295 122.820 0.019 0.000 2.225 122 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 122 A C 1.877 179.432 177.584 -0.049 0.000 1.164 122 A CA 0.801 52.778 52.037 -0.101 0.000 0.710 122 A CB -0.770 18.163 19.000 -0.111 0.000 0.780 122 A HN 0.341 nan 8.150 nan 0.000 0.473 123 F N 0.773 120.770 119.950 0.079 0.000 2.546 123 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 123 F C 2.675 178.490 175.800 0.024 0.000 1.120 123 F CA 1.619 59.663 58.000 0.073 0.000 1.456 123 F CB -0.227 38.830 39.000 0.095 0.000 1.088 123 F HN 0.394 nan 8.300 nan 0.000 0.572 124 T N -3.500 111.134 114.554 0.133 0.000 3.007 124 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 124 T C 1.968 176.680 174.700 0.020 0.000 1.107 124 T CA 1.029 63.166 62.100 0.061 0.000 1.118 124 T CB -0.584 68.290 68.868 0.011 0.000 0.889 124 T HN 0.276 nan 8.240 nan 0.000 0.506 125 G N 0.334 109.126 108.800 -0.013 0.000 3.371 125 G HA2 0.323 4.283 3.960 -0.000 0.000 0.248 125 G HA3 0.323 4.283 3.960 -0.000 0.000 0.248 125 G C 1.094 175.981 174.900 -0.021 0.000 1.161 125 G CA -0.427 44.652 45.100 -0.035 0.000 0.796 125 G HN 0.448 nan 8.290 nan 0.000 0.539 126 L N -0.138 121.098 121.223 0.021 0.000 2.127 126 L HA -0.091 4.249 4.340 -0.000 0.000 0.211 126 L C 2.651 179.537 176.870 0.028 0.000 1.089 126 L CA 1.052 55.917 54.840 0.041 0.000 0.757 126 L CB -0.066 42.086 42.059 0.154 0.000 0.899 126 L HN 0.354 nan 8.230 nan 0.000 0.434 127 L N 0.010 121.247 121.223 0.025 0.000 2.012 127 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 127 L C 2.212 179.086 176.870 0.006 0.000 1.073 127 L CA 2.044 56.894 54.840 0.016 0.000 0.748 127 L CB -0.900 41.166 42.059 0.012 0.000 0.891 127 L HN 0.247 nan 8.230 nan 0.000 0.431 128 D N -0.980 119.418 120.400 -0.003 0.000 2.117 128 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 128 D C 2.216 178.511 176.300 -0.008 0.000 0.987 128 D CA 1.514 55.509 54.000 -0.008 0.000 0.829 128 D CB 0.170 40.961 40.800 -0.016 0.000 0.961 128 D HN 0.273 nan 8.370 nan 0.000 0.460 129 V N 0.580 120.485 119.914 -0.015 0.000 2.282 129 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 129 V C 2.708 178.799 176.094 -0.005 0.000 1.057 129 V CA 1.202 63.490 62.300 -0.019 0.000 1.032 129 V CB -0.475 31.320 31.823 -0.046 0.000 0.645 129 V HN 0.089 nan 8.190 nan 0.000 0.447 130 V N -0.606 119.311 119.914 0.004 0.000 2.667 130 V HA -0.159 3.961 4.120 -0.000 0.000 0.252 130 V C 2.518 178.616 176.094 0.008 0.000 1.065 130 V CA 1.654 63.960 62.300 0.009 0.000 1.083 130 V CB -0.735 31.098 31.823 0.016 0.000 0.692 130 V HN 0.446 nan 8.190 nan 0.000 0.468 131 R N 0.402 120.905 120.500 0.006 0.000 2.073 131 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 131 R C 2.383 178.687 176.300 0.006 0.000 1.120 131 R CA 1.937 58.040 56.100 0.005 0.000 0.967 131 R CB -0.349 29.953 30.300 0.003 0.000 0.862 131 R HN 0.695 nan 8.270 nan 0.000 0.436 132 T N -4.694 109.863 114.554 0.006 0.000 2.990 132 T HA 0.214 4.564 4.350 -0.000 0.000 0.250 132 T C 1.381 176.089 174.700 0.014 0.000 1.041 132 T CA 0.516 62.621 62.100 0.009 0.000 1.010 132 T CB 1.059 69.932 68.868 0.008 0.000 1.003 132 T HN 0.352 nan 8.240 nan 0.000 0.499 133 G N 1.711 110.518 108.800 0.012 0.000 2.184 133 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 133 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 133 G C 0.154 175.067 174.900 0.021 0.000 0.975 133 G CA 0.017 45.127 45.100 0.016 0.000 0.642 133 G HN 0.670 nan 8.290 nan 0.000 0.536 134 R N 1.034 121.545 120.500 0.018 0.000 2.486 134 R HA 0.444 4.784 4.340 -0.000 0.000 0.286 134 R C -2.180 174.126 176.300 0.010 0.000 0.999 134 R CA -1.659 54.457 56.100 0.027 0.000 0.993 134 R CB 1.366 31.683 30.300 0.029 0.000 1.084 134 R HN 0.143 nan 8.270 nan 0.000 0.487 135 P HA 0.025 nan 4.420 nan 0.000 0.272 135 P C -0.485 176.823 177.300 0.013 0.000 1.223 135 P CA 0.121 63.225 63.100 0.006 0.000 0.784 135 P CB 0.998 32.714 31.700 0.026 0.000 0.923 136 A N 1.857 124.670 122.820 -0.012 0.000 2.195 136 A HA -0.063 4.257 4.320 -0.000 0.000 0.210 136 A C 1.976 179.548 177.584 -0.021 0.000 1.165 136 A CA 0.194 52.207 52.037 -0.040 0.000 0.806 136 A CB -1.250 17.691 19.000 -0.099 0.000 0.847 136 A HN 0.577 nan 8.150 nan 0.000 0.482 137 Y N 0.933 121.197 120.300 -0.060 0.000 2.081 137 Y HA -0.261 4.290 4.550 0.000 0.000 0.280 137 Y C 2.613 178.519 175.900 0.010 0.000 1.163 137 Y CA 1.908 60.001 58.100 -0.012 0.000 1.135 137 Y CB -0.258 38.227 38.460 0.042 0.000 0.970 137 Y HN 0.336 nan 8.280 nan 0.000 0.498 138 A N -0.178 122.770 122.820 0.213 0.000 1.933 138 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 138 A C 2.441 180.012 177.584 -0.022 0.000 1.175 138 A CA 1.579 53.694 52.037 0.129 0.000 0.628 138 A CB -1.690 17.394 19.000 0.139 0.000 0.814 138 A HN 0.596 nan 8.150 nan 0.000 0.444 139 G N -0.691 108.076 108.800 -0.056 0.000 2.462 139 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 139 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 139 G C 1.713 176.492 174.900 -0.203 0.000 1.121 139 G CA 1.131 46.171 45.100 -0.100 0.000 0.758 139 G HN 0.592 nan 8.290 nan 0.000 0.559 140 R N -1.272 119.013 120.500 -0.359 0.000 2.090 140 R HA 0.144 4.484 4.340 -0.000 0.000 0.219 140 R C 1.708 177.580 176.300 -0.714 0.000 1.100 140 R CA 0.515 56.235 56.100 -0.634 0.000 0.991 140 R CB -0.083 29.624 30.300 -0.988 0.000 0.893 140 R HN 0.451 nan 8.270 nan 0.000 0.443 141 Y N -1.442 118.659 120.300 -0.332 0.000 2.449 141 Y HA 0.321 4.870 4.550 -0.001 0.000 0.254 141 Y C 1.391 177.229 175.900 -0.103 0.000 1.140 141 Y CA 0.161 58.106 58.100 -0.260 0.000 1.272 141 Y CB 1.651 39.848 38.460 -0.439 0.000 1.114 141 Y HN 0.443 nan 8.280 nan 0.000 0.525 142 G N 1.018 109.839 108.800 0.035 0.000 2.313 142 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 142 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 142 G C 0.204 175.152 174.900 0.080 0.000 1.023 142 G CA -0.068 45.061 45.100 0.048 0.000 0.626 142 G HN 0.351 nan 8.290 nan 0.000 0.503 143 R N 0.274 120.858 120.500 0.139 0.000 2.774 143 R HA 0.668 5.008 4.340 -0.000 0.000 0.272 143 R C -3.188 173.265 176.300 0.255 0.000 1.000 143 R CA -2.010 54.184 56.100 0.156 0.000 0.906 143 R CB 1.838 32.209 30.300 0.118 0.000 1.227 143 R HN 0.137 nan 8.270 nan 0.000 0.468 144 P HA -0.064 nan 4.420 nan 0.000 0.269 144 P C 0.245 177.592 177.300 0.078 0.000 1.215 144 P CA -0.268 62.963 63.100 0.219 0.000 0.780 144 P CB 0.511 32.342 31.700 0.219 0.000 0.898 145 F N 2.158 121.860 119.950 -0.414 0.000 2.039 145 F HA -0.257 4.270 4.527 0.000 0.000 0.296 145 F C 1.961 177.352 175.800 -0.682 0.000 1.119 145 F CA 1.936 59.295 58.000 -1.067 0.000 1.211 145 F CB -1.032 37.184 39.000 -1.308 0.000 0.956 145 F HN 0.298 nan 8.300 nan 0.000 0.496 146 W N 0.516 121.733 121.300 -0.138 0.000 2.374 146 W HA -0.119 4.541 4.660 0.000 0.000 0.288 146 W C 2.461 178.888 176.519 -0.154 0.000 1.218 146 W CA 1.242 58.489 57.345 -0.162 0.000 1.245 146 W CB -0.557 28.933 29.460 0.052 0.000 1.126 146 W HN 0.125 nan 8.180 nan 0.000 0.545 147 E N -0.090 120.183 120.200 0.121 0.000 2.106 147 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 147 E C 1.492 178.081 176.600 -0.017 0.000 0.984 147 E CA 1.373 57.816 56.400 0.071 0.000 0.806 147 E CB -0.212 29.550 29.700 0.103 0.000 0.750 147 E HN 0.169 nan 8.360 nan 0.000 0.458 148 D N 0.597 120.944 120.400 -0.088 0.000 2.084 148 D HA -0.112 4.527 4.640 -0.000 0.000 0.196 148 D C 1.924 178.094 176.300 -0.217 0.000 0.985 148 D CA 0.765 54.698 54.000 -0.112 0.000 0.826 148 D CB 0.000 40.779 40.800 -0.036 0.000 0.978 148 D HN 0.025 nan 8.370 nan 0.000 0.456 149 L N 0.130 121.112 121.223 -0.402 0.000 2.079 149 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 149 L C 2.477 179.262 176.870 -0.142 0.000 1.081 149 L CA 1.201 55.826 54.840 -0.359 0.000 0.752 149 L CB -0.882 40.855 42.059 -0.535 0.000 0.896 149 L HN 0.127 nan 8.230 nan 0.000 0.433 150 S N -0.247 115.411 115.700 -0.070 0.000 2.368 150 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 150 S C 1.973 176.553 174.600 -0.034 0.000 1.030 150 S CA 1.346 59.536 58.200 -0.018 0.000 0.999 150 S CB 0.043 63.250 63.200 0.012 0.000 0.844 150 S HN 0.476 nan 8.310 nan 0.000 0.459 151 A N -0.152 122.642 122.820 -0.044 0.000 2.123 151 A HA 0.143 4.463 4.320 -0.000 0.000 0.214 151 A C 0.848 178.398 177.584 -0.056 0.000 1.152 151 A CA 0.603 52.616 52.037 -0.039 0.000 0.728 151 A CB -0.038 18.946 19.000 -0.027 0.000 0.814 151 A HN 0.499 nan 8.150 nan 0.000 0.464 152 D N 0.095 120.445 120.400 -0.083 0.000 2.446 152 D HA 0.350 4.990 4.640 -0.000 0.000 0.251 152 D C 0.975 177.217 176.300 -0.097 0.000 1.137 152 D CA -0.268 53.673 54.000 -0.099 0.000 0.890 152 D CB 1.378 42.096 40.800 -0.137 0.000 1.071 152 D HN -0.045 nan 8.370 nan 0.000 0.528 153 V N 3.176 123.048 119.914 -0.070 0.000 2.594 153 V HA -0.184 3.936 4.120 -0.000 0.000 0.253 153 V C 2.523 178.580 176.094 -0.061 0.000 1.069 153 V CA 1.859 64.126 62.300 -0.055 0.000 1.082 153 V CB -0.928 30.870 31.823 -0.041 0.000 0.680 153 V HN 0.577 nan 8.190 nan 0.000 0.469 154 A N 0.251 123.024 122.820 -0.079 0.000 1.930 154 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 154 A C 2.239 179.765 177.584 -0.096 0.000 1.175 154 A CA 1.581 53.569 52.037 -0.082 0.000 0.627 154 A CB -0.425 18.519 19.000 -0.093 0.000 0.815 154 A HN 0.509 nan 8.150 nan 0.000 0.443 155 L N -0.882 120.259 121.223 -0.137 0.000 2.027 155 L HA -0.140 4.200 4.340 -0.000 0.000 0.206 155 L C 3.136 179.948 176.870 -0.096 0.000 1.074 155 L CA 0.985 55.728 54.840 -0.161 0.000 0.745 155 L CB -0.670 41.231 42.059 -0.264 0.000 0.898 155 L HN 0.421 nan 8.230 nan 0.000 0.433 156 A N 0.260 123.024 122.820 -0.092 0.000 1.865 156 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 156 A C 1.934 179.558 177.584 0.066 0.000 1.191 156 A CA 2.258 54.291 52.037 -0.007 0.000 0.623 156 A CB -0.641 18.354 19.000 -0.009 0.000 0.826 156 A HN 0.370 nan 8.150 nan 0.000 0.444 157 D N -0.244 120.165 120.400 0.015 0.000 2.144 157 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 157 D C 2.505 178.807 176.300 0.004 0.000 0.978 157 D CA 1.748 55.755 54.000 0.012 0.000 0.833 157 D CB -0.407 40.385 40.800 -0.014 0.000 0.961 157 D HN 0.591 nan 8.370 nan 0.000 0.470 158 S N -0.025 115.671 115.700 -0.007 0.000 2.368 158 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 158 S C 2.060 176.648 174.600 -0.020 0.000 1.029 158 S CA 0.432 58.611 58.200 -0.035 0.000 0.988 158 S CB -0.790 62.383 63.200 -0.044 0.000 0.838 158 S HN 0.219 nan 8.310 nan 0.000 0.462 159 F N 3.112 123.006 119.950 -0.094 0.000 2.075 159 F HA -0.055 4.472 4.527 -0.000 0.000 0.297 159 F C 1.961 177.740 175.800 -0.035 0.000 1.113 159 F CA 1.987 59.955 58.000 -0.054 0.000 1.218 159 F CB -0.602 38.402 39.000 0.007 0.000 0.984 159 F HN 0.121 nan 8.300 nan 0.000 0.472 160 D N 0.405 120.863 120.400 0.097 0.000 2.149 160 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 160 D C 2.296 178.534 176.300 -0.105 0.000 0.990 160 D CA 1.443 55.446 54.000 0.006 0.000 0.839 160 D CB -0.651 40.204 40.800 0.091 0.000 0.948 160 D HN 0.377 nan 8.370 nan 0.000 0.460 161 A N 0.132 122.885 122.820 -0.111 0.000 2.125 161 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 161 A C 2.114 179.586 177.584 -0.186 0.000 1.156 161 A CA 0.715 52.678 52.037 -0.123 0.000 0.671 161 A CB -0.409 18.528 19.000 -0.105 0.000 0.794 161 A HN 0.250 nan 8.150 nan 0.000 0.459 162 L N -0.747 120.286 121.223 -0.317 0.000 2.640 162 L HA 0.189 4.529 4.340 -0.000 0.000 0.230 162 L C -0.099 176.641 176.870 -0.217 0.000 1.123 162 L CA -0.359 54.232 54.840 -0.414 0.000 0.900 162 L CB -0.033 41.412 42.059 -1.023 0.000 1.146 162 L HN 0.283 nan 8.230 nan 0.000 0.484 163 M N -0.411 119.070 119.600 -0.200 0.000 2.238 163 M HA 0.192 4.672 4.480 -0.000 0.000 0.350 163 M C 1.535 177.806 176.300 -0.048 0.000 1.138 163 M CA -0.182 55.054 55.300 -0.105 0.000 1.040 163 M CB 1.262 33.764 32.600 -0.164 0.000 1.639 163 M HN -0.004 nan 8.290 nan 0.000 0.451 164 S N 0.534 116.234 115.700 -0.000 0.000 2.399 164 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 164 S C 1.679 176.204 174.600 -0.125 0.000 1.022 164 S CA 1.039 59.213 58.200 -0.043 0.000 0.983 164 S CB -0.651 62.531 63.200 -0.030 0.000 0.803 164 S HN 0.810 nan 8.310 nan 0.000 0.480 165 C N 1.914 121.126 119.300 -0.146 0.000 2.419 165 C HA -0.008 4.452 4.460 -0.000 0.000 0.283 165 C C 2.320 177.239 174.990 -0.119 0.000 1.373 165 C CA 1.064 59.922 59.018 -0.266 0.000 1.781 165 C CB -1.569 26.012 27.740 -0.266 0.000 1.886 165 C HN 0.730 nan 8.230 nan 0.000 0.520 166 D N 0.274 120.647 120.400 -0.045 0.000 2.355 166 D HA -0.032 4.607 4.640 -0.000 0.000 0.218 166 D C 0.936 177.235 176.300 -0.002 0.000 1.004 166 D CA 0.474 54.480 54.000 0.011 0.000 0.880 166 D CB -0.055 40.743 40.800 -0.003 0.000 0.911 166 D HN 0.401 nan 8.370 nan 0.000 0.528 167 E N 0.574 120.749 120.200 -0.041 0.000 2.392 167 E HA -0.024 4.326 4.350 -0.000 0.000 0.259 167 E C 0.863 177.455 176.600 -0.013 0.000 1.108 167 E CA -0.132 56.246 56.400 -0.035 0.000 0.916 167 E CB 0.664 30.329 29.700 -0.058 0.000 0.989 167 E HN 0.173 nan 8.360 nan 0.000 0.432 168 D N 0.930 121.326 120.400 -0.006 0.000 2.133 168 D HA -0.184 4.456 4.640 -0.000 0.000 0.192 168 D C 1.391 177.703 176.300 0.019 0.000 1.001 168 D CA 1.506 55.511 54.000 0.010 0.000 0.844 168 D CB 0.120 40.921 40.800 0.002 0.000 0.944 168 D HN 0.319 nan 8.370 nan 0.000 0.447 169 L N -0.275 120.945 121.223 -0.006 0.000 2.818 169 L HA 0.394 4.734 4.340 -0.000 0.000 0.243 169 L C 1.983 178.824 176.870 -0.047 0.000 1.185 169 L CA -0.225 54.612 54.840 -0.005 0.000 0.988 169 L CB 0.120 42.172 42.059 -0.011 0.000 1.292 169 L HN -0.151 nan 8.230 nan 0.000 0.519 170 A N 0.296 123.056 122.820 -0.100 0.000 1.927 170 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 170 A C 1.718 179.055 177.584 -0.412 0.000 1.185 170 A CA 1.851 53.704 52.037 -0.307 0.000 0.639 170 A CB -0.638 18.083 19.000 -0.465 0.000 0.820 170 A HN 0.532 nan 8.150 nan 0.000 0.451 171 Y N -0.535 119.729 120.300 -0.059 0.000 2.458 171 Y HA 0.112 4.662 4.550 -0.000 0.000 0.256 171 Y C 2.046 177.903 175.900 -0.072 0.000 1.159 171 Y CA 0.117 58.175 58.100 -0.071 0.000 1.261 171 Y CB 0.343 38.786 38.460 -0.027 0.000 1.119 171 Y HN 0.243 nan 8.280 nan 0.000 0.524 172 E N 0.783 121.013 120.200 0.050 0.000 2.058 172 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 172 E C 2.344 178.970 176.600 0.044 0.000 0.997 172 E CA 1.274 57.705 56.400 0.052 0.000 0.801 172 E CB -0.441 29.282 29.700 0.038 0.000 0.746 172 E HN 0.465 nan 8.360 nan 0.000 0.450 173 A N 2.029 124.844 122.820 -0.008 0.000 1.858 173 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 173 A C -0.186 177.395 177.584 -0.005 0.000 1.190 173 A CA 1.764 53.829 52.037 0.048 0.000 0.617 173 A CB -1.636 17.446 19.000 0.136 0.000 0.827 173 A HN 0.204 nan 8.150 nan 0.000 0.443 174 P HA -0.181 nan 4.420 nan 0.000 0.215 174 P C 1.603 178.990 177.300 0.145 0.000 1.153 174 P CA 2.139 64.988 63.100 -0.418 0.000 0.853 174 P CB -0.244 31.091 31.700 -0.608 0.000 0.788 175 A N 0.170 123.098 122.820 0.181 0.000 1.972 175 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 175 A C 2.011 179.859 177.584 0.440 0.000 1.169 175 A CA 1.935 54.190 52.037 0.364 0.000 0.635 175 A CB -1.256 17.847 19.000 0.173 0.000 0.810 175 A HN 0.078 nan 8.150 nan 0.000 0.446 176 D N -0.115 120.444 120.400 0.264 0.000 2.224 176 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 176 D C 1.990 178.416 176.300 0.211 0.000 0.965 176 D CA 1.204 55.335 54.000 0.218 0.000 0.852 176 D CB -0.207 40.687 40.800 0.156 0.000 0.947 176 D HN 0.434 nan 8.370 nan 0.000 0.494 177 A N -0.776 122.203 122.820 0.265 0.000 2.206 177 A HA -0.053 4.267 4.320 -0.000 0.000 0.211 177 A C 0.420 178.103 177.584 0.164 0.000 1.158 177 A CA 0.374 52.556 52.037 0.241 0.000 0.761 177 A CB -0.182 19.050 19.000 0.387 0.000 0.801 177 A HN 0.238 nan 8.150 nan 0.000 0.473 178 Y N -0.715 119.552 120.300 -0.055 0.000 2.462 178 Y HA 0.475 5.025 4.550 -0.000 0.000 0.346 178 Y C -1.103 174.387 175.900 -0.683 0.000 0.976 178 Y CA -1.760 56.083 58.100 -0.430 0.000 1.044 178 Y CB 1.397 39.424 38.460 -0.722 0.000 1.230 178 Y HN 0.124 nan 8.280 nan 0.000 0.455 179 D N 4.006 123.823 120.400 -0.972 0.000 2.352 179 D HA 0.092 4.732 4.640 -0.000 0.000 0.245 179 D C -0.623 175.318 176.300 -0.598 0.000 1.224 179 D CA 0.019 53.644 54.000 -0.625 0.000 0.879 179 D CB 0.344 40.870 40.800 -0.457 0.000 1.057 179 D HN 0.571 nan 8.370 nan 0.000 0.491 180 W N 2.286 123.634 121.300 0.081 0.000 3.278 180 W HA 0.076 4.736 4.660 0.000 0.000 0.308 180 W C 2.336 178.899 176.519 0.073 0.000 1.253 180 W CA 0.019 57.445 57.345 0.135 0.000 1.759 180 W CB -0.233 29.308 29.460 0.134 0.000 1.093 180 W HN 0.430 nan 8.180 nan 0.000 0.648 181 S N 0.935 116.738 115.700 0.172 0.000 2.387 181 S HA -0.220 4.250 4.470 -0.000 0.000 0.230 181 S C 1.779 176.454 174.600 0.124 0.000 1.035 181 S CA 1.494 59.771 58.200 0.129 0.000 1.014 181 S CB -0.559 62.678 63.200 0.061 0.000 0.836 181 S HN 0.174 nan 8.310 nan 0.000 0.466 182 A N 0.477 123.354 122.820 0.095 0.000 2.430 182 A HA 0.612 4.932 4.320 -0.000 0.000 0.243 182 A C 0.444 178.100 177.584 0.120 0.000 1.254 182 A CA -0.348 51.740 52.037 0.085 0.000 0.914 182 A CB 0.196 19.219 19.000 0.039 0.000 0.998 182 A HN 0.337 nan 8.150 nan 0.000 0.515 183 V N 1.242 121.268 119.914 0.186 0.000 2.455 183 V HA 0.132 4.252 4.120 -0.000 0.000 0.273 183 V C 1.243 177.453 176.094 0.194 0.000 1.045 183 V CA -0.058 62.377 62.300 0.227 0.000 0.976 183 V CB 0.759 32.815 31.823 0.389 0.000 0.993 183 V HN 0.579 nan 8.190 nan 0.000 0.475 184 R N 1.866 122.462 120.500 0.160 0.000 2.080 184 R HA 0.096 4.436 4.340 -0.000 0.000 0.222 184 R C 0.263 176.668 176.300 0.175 0.000 1.107 184 R CA 0.605 56.788 56.100 0.140 0.000 0.980 184 R CB 0.163 30.529 30.300 0.111 0.000 0.879 184 R HN 0.747 nan 8.270 nan 0.000 0.439 185 H N -0.286 118.816 119.070 0.052 0.000 3.017 185 H HA 0.314 4.870 4.556 -0.000 0.000 0.340 185 H C -1.743 173.600 175.328 0.025 0.000 1.014 185 H CA -0.906 55.154 56.048 0.020 0.000 1.341 185 H CB 1.201 30.971 29.762 0.012 0.000 1.739 185 H HN -0.231 nan 8.280 nan 0.000 0.506 186 V N 6.673 126.632 119.914 0.074 0.000 2.398 186 V HA 0.245 4.365 4.120 -0.000 0.000 0.286 186 V C 0.120 176.097 176.094 -0.195 0.000 1.026 186 V CA -0.796 61.456 62.300 -0.079 0.000 0.868 186 V CB 1.603 33.383 31.823 -0.071 0.000 0.982 186 V HN 0.678 nan 8.190 nan 0.000 0.443 187 L N 4.328 125.401 121.223 -0.251 0.000 2.257 187 L HA 0.503 4.843 4.340 -0.000 0.000 0.290 187 L C -0.561 176.251 176.870 -0.095 0.000 1.044 187 L CA -0.233 54.489 54.840 -0.196 0.000 0.810 187 L CB 1.286 43.221 42.059 -0.207 0.000 1.193 187 L HN 0.674 nan 8.230 nan 0.000 0.425 188 D N 4.476 124.844 120.400 -0.053 0.000 2.485 188 D HA 0.175 4.815 4.640 -0.000 0.000 0.229 188 D C -0.526 175.781 176.300 0.012 0.000 1.101 188 D CA -0.271 53.714 54.000 -0.025 0.000 0.906 188 D CB 1.048 41.838 40.800 -0.018 0.000 1.019 188 D HN 0.138 nan 8.370 nan 0.000 0.516 189 V N 3.323 123.242 119.914 0.008 0.000 2.439 189 V HA 0.413 4.533 4.120 -0.000 0.000 0.271 189 V C 1.509 177.690 176.094 0.145 0.000 1.040 189 V CA 0.153 62.488 62.300 0.058 0.000 1.002 189 V CB 0.651 32.458 31.823 -0.027 0.000 1.000 189 V HN 0.825 nan 8.190 nan 0.000 0.477 190 G N 4.358 113.294 108.800 0.227 0.000 2.314 190 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.292 190 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.292 190 G C 0.851 175.808 174.900 0.094 0.000 1.059 190 G CA 0.138 45.364 45.100 0.209 0.000 0.982 190 G HN 1.312 nan 8.290 nan 0.000 0.505 191 G N -0.487 108.350 108.800 0.062 0.000 2.776 191 G HA2 0.479 4.439 3.960 -0.000 0.000 0.209 191 G HA3 0.479 4.439 3.960 -0.000 0.000 0.209 191 G C 1.752 176.666 174.900 0.023 0.000 1.145 191 G CA 1.392 46.519 45.100 0.044 0.000 0.791 191 G HN 2.101 nan 8.290 nan 0.000 0.530 192 G N 1.298 110.103 108.800 0.008 0.000 2.596 192 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.295 192 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.295 192 G C 1.029 175.911 174.900 -0.031 0.000 1.240 192 G CA 0.437 45.537 45.100 0.001 0.000 0.985 192 G HN 0.851 nan 8.290 nan 0.000 0.555 193 N N 2.317 120.991 118.700 -0.042 0.000 2.370 193 N HA 0.276 5.016 4.740 -0.000 0.000 0.198 193 N C 1.532 176.890 175.510 -0.252 0.000 1.156 193 N CA 1.181 54.151 53.050 -0.134 0.000 0.839 193 N CB 0.488 38.916 38.487 -0.097 0.000 0.989 193 N HN 2.305 nan 8.380 nan 0.000 0.468 194 G N 0.025 108.733 108.800 -0.154 0.000 2.141 194 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 194 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 194 G C 0.933 175.782 174.900 -0.084 0.000 0.982 194 G CA 0.140 45.195 45.100 -0.075 0.000 0.662 194 G HN 0.527 nan 8.290 nan 0.000 0.527 195 G N 0.269 108.929 108.800 -0.235 0.000 2.529 195 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 195 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 195 G C 1.671 176.160 174.900 -0.685 0.000 1.177 195 G CA 2.227 47.104 45.100 -0.371 0.000 0.773 195 G HN 0.797 nan 8.290 nan 0.000 0.573 196 M N -0.127 118.799 119.600 -1.122 0.000 2.117 196 M HA 0.113 4.593 4.480 -0.000 0.000 0.262 196 M C 2.214 178.311 176.300 -0.337 0.000 1.065 196 M CA 1.096 55.983 55.300 -0.687 0.000 1.114 196 M CB -0.568 31.759 32.600 -0.454 0.000 1.361 196 M HN 0.170 nan 8.290 nan 0.000 0.408 197 L N 0.342 121.426 121.223 -0.233 0.000 2.083 197 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 197 L C 2.315 179.083 176.870 -0.170 0.000 1.083 197 L CA 2.241 56.965 54.840 -0.193 0.000 0.752 197 L CB -1.423 40.591 42.059 -0.075 0.000 0.899 197 L HN 0.374 nan 8.230 nan 0.000 0.433 198 A N -0.678 122.143 122.820 0.002 0.000 1.873 198 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 198 A C 2.445 179.991 177.584 -0.063 0.000 1.186 198 A CA 1.737 53.798 52.037 0.039 0.000 0.616 198 A CB -1.164 17.929 19.000 0.156 0.000 0.823 198 A HN 0.521 nan 8.150 nan 0.000 0.442 199 A N -0.256 122.516 122.820 -0.081 0.000 1.978 199 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 199 A C 2.103 179.594 177.584 -0.155 0.000 1.170 199 A CA 1.553 53.550 52.037 -0.066 0.000 0.636 199 A CB -0.578 18.421 19.000 -0.001 0.000 0.810 199 A HN 0.527 nan 8.150 nan 0.000 0.448 200 I N -0.615 119.765 120.570 -0.317 0.000 2.193 200 I HA -0.203 3.966 4.170 -0.000 0.000 0.240 200 I C 2.986 178.884 176.117 -0.365 0.000 1.084 200 I CA 0.957 61.906 61.300 -0.584 0.000 1.365 200 I CB -0.451 36.969 38.000 -0.966 0.000 1.064 200 I HN 0.331 nan 8.210 nan 0.000 0.410 201 A N 0.949 123.599 122.820 -0.282 0.000 1.978 201 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 201 A C 2.301 179.807 177.584 -0.129 0.000 1.170 201 A CA 1.526 53.444 52.037 -0.198 0.000 0.636 201 A CB -0.862 18.008 19.000 -0.216 0.000 0.810 201 A HN 0.405 nan 8.150 nan 0.000 0.448 202 L N -1.813 119.348 121.223 -0.104 0.000 2.109 202 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 202 L C 2.761 179.604 176.870 -0.045 0.000 1.086 202 L CA 1.254 56.058 54.840 -0.059 0.000 0.760 202 L CB -0.305 41.735 42.059 -0.031 0.000 0.910 202 L HN 0.308 nan 8.230 nan 0.000 0.437 203 R N -0.275 120.201 120.500 -0.039 0.000 2.236 203 R HA 0.101 4.440 4.340 -0.000 0.000 0.208 203 R C 0.433 176.750 176.300 0.029 0.000 1.036 203 R CA 0.641 56.752 56.100 0.019 0.000 1.001 203 R CB 0.169 30.520 30.300 0.086 0.000 0.896 203 R HN 0.211 nan 8.270 nan 0.000 0.464 204 A N 0.250 123.061 122.820 -0.015 0.000 2.763 204 A HA 0.369 4.689 4.320 -0.000 0.000 0.325 204 A C -2.249 175.291 177.584 -0.074 0.000 1.209 204 A CA -1.356 50.684 52.037 0.005 0.000 0.764 204 A CB 0.951 20.008 19.000 0.095 0.000 1.120 204 A HN -0.050 nan 8.150 nan 0.000 0.463 205 P HA -0.137 nan 4.420 nan 0.000 0.221 205 P C 0.688 177.849 177.300 -0.231 0.000 1.145 205 P CA 1.532 64.483 63.100 -0.248 0.000 0.795 205 P CB 0.002 31.476 31.700 -0.376 0.000 0.775 206 H N -2.210 116.863 119.070 0.005 0.000 2.563 206 H HA 0.124 4.680 4.556 -0.000 0.000 0.264 206 H C 1.000 176.327 175.328 -0.002 0.000 0.957 206 H CA -0.714 55.335 56.048 0.001 0.000 1.173 206 H CB -0.009 29.761 29.762 0.013 0.000 1.420 206 H HN 0.033 nan 8.280 nan 0.000 0.551 207 L N 2.109 123.384 121.223 0.086 0.000 2.453 207 L HA 0.196 4.535 4.340 -0.000 0.000 0.272 207 L C -0.153 176.716 176.870 -0.002 0.000 1.182 207 L CA 0.182 55.056 54.840 0.056 0.000 0.858 207 L CB 0.418 42.496 42.059 0.030 0.000 1.120 207 L HN 0.141 nan 8.230 nan 0.000 0.474 208 R N 2.560 123.063 120.500 0.006 0.000 2.668 208 R HA 0.797 5.137 4.340 -0.000 0.000 0.279 208 R C -0.327 175.992 176.300 0.031 0.000 0.976 208 R CA -0.151 55.919 56.100 -0.051 0.000 0.978 208 R CB 1.929 32.141 30.300 -0.146 0.000 1.133 208 R HN 0.924 nan 8.270 nan 0.000 0.484 209 G N -0.231 108.546 108.800 -0.039 0.000 2.620 209 G HA2 0.534 4.494 3.960 -0.000 0.000 0.301 209 G HA3 0.534 4.494 3.960 -0.000 0.000 0.301 209 G C -1.382 173.528 174.900 0.017 0.000 1.347 209 G CA -0.412 44.684 45.100 -0.006 0.000 0.971 209 G HN 0.406 nan 8.290 nan 0.000 0.488 210 T N 1.456 116.069 114.554 0.099 0.000 2.890 210 T HA 0.445 4.794 4.350 -0.000 0.000 0.295 210 T C -0.613 174.110 174.700 0.038 0.000 0.993 210 T CA -0.320 61.836 62.100 0.092 0.000 0.979 210 T CB 1.374 70.365 68.868 0.206 0.000 0.967 210 T HN 0.523 nan 8.240 nan 0.000 0.441 211 L N 4.468 125.730 121.223 0.065 0.000 2.296 211 L HA 0.765 5.105 4.340 -0.000 0.000 0.286 211 L C -1.011 175.903 176.870 0.074 0.000 1.023 211 L CA -0.664 54.232 54.840 0.093 0.000 0.812 211 L CB 0.790 42.978 42.059 0.214 0.000 1.223 211 L HN 0.381 nan 8.230 nan 0.000 0.421 212 V N 5.060 125.006 119.914 0.052 0.000 2.398 212 V HA 0.620 4.740 4.120 -0.000 0.000 0.286 212 V C -0.149 175.952 176.094 0.011 0.000 1.026 212 V CA -0.424 61.896 62.300 0.033 0.000 0.868 212 V CB 1.277 33.123 31.823 0.038 0.000 0.982 212 V HN 0.764 nan 8.190 nan 0.000 0.443 213 E N 2.622 122.808 120.200 -0.024 0.000 2.445 213 E HA 0.521 4.871 4.350 -0.000 0.000 0.279 213 E C -1.040 175.511 176.600 -0.080 0.000 1.018 213 E CA -0.733 55.628 56.400 -0.065 0.000 0.816 213 E CB 2.383 32.063 29.700 -0.033 0.000 1.356 213 E HN 0.414 nan 8.360 nan 0.000 0.462 214 L N 0.988 122.155 121.223 -0.095 0.000 2.476 214 L HA 0.204 4.544 4.340 -0.000 0.000 0.255 214 L C 1.756 178.608 176.870 -0.030 0.000 1.218 214 L CA 0.261 55.066 54.840 -0.058 0.000 0.819 214 L CB 0.223 42.260 42.059 -0.036 0.000 1.119 214 L HN 0.778 nan 8.230 nan 0.000 0.485 215 A N 1.719 124.528 122.820 -0.018 0.000 1.892 215 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 215 A C 2.104 179.679 177.584 -0.015 0.000 1.188 215 A CA 2.053 54.082 52.037 -0.014 0.000 0.631 215 A CB -1.401 17.593 19.000 -0.010 0.000 0.822 215 A HN 1.005 nan 8.150 nan 0.000 0.447 216 G N 0.147 108.940 108.800 -0.012 0.000 2.628 216 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 216 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 216 G C -0.236 174.655 174.900 -0.014 0.000 1.240 216 G CA 1.428 46.521 45.100 -0.012 0.000 0.792 216 G HN 0.510 nan 8.290 nan 0.000 0.593 217 P HA 0.015 nan 4.420 nan 0.000 0.218 217 P C 2.082 179.355 177.300 -0.045 0.000 1.149 217 P CA 1.799 64.889 63.100 -0.018 0.000 0.817 217 P CB -0.163 31.533 31.700 -0.007 0.000 0.785 218 A N 0.325 123.124 122.820 -0.034 0.000 1.883 218 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 218 A C 2.377 179.934 177.584 -0.046 0.000 1.186 218 A CA 1.786 53.805 52.037 -0.031 0.000 0.624 218 A CB -1.360 17.632 19.000 -0.012 0.000 0.822 218 A HN 0.189 nan 8.150 nan 0.000 0.444 219 E N -0.104 120.072 120.200 -0.040 0.000 2.058 219 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 219 E C 2.235 178.792 176.600 -0.071 0.000 0.997 219 E CA 1.332 57.706 56.400 -0.043 0.000 0.801 219 E CB -0.154 29.528 29.700 -0.031 0.000 0.746 219 E HN 0.621 nan 8.360 nan 0.000 0.450 220 R N -0.167 120.285 120.500 -0.080 0.000 2.115 220 R HA -0.054 4.286 4.340 -0.000 0.000 0.230 220 R C 2.371 178.549 176.300 -0.202 0.000 1.111 220 R CA 1.005 57.040 56.100 -0.108 0.000 0.976 220 R CB -0.186 30.067 30.300 -0.078 0.000 0.870 220 R HN 0.166 nan 8.270 nan 0.000 0.445 221 A N 1.044 123.710 122.820 -0.256 0.000 1.929 221 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 221 A C 1.990 179.202 177.584 -0.620 0.000 1.176 221 A CA 0.830 52.535 52.037 -0.553 0.000 0.628 221 A CB -0.239 18.489 19.000 -0.454 0.000 0.816 221 A HN 0.173 nan 8.150 nan 0.000 0.444 222 R N -0.774 119.582 120.500 -0.240 0.000 2.096 222 R HA -0.183 4.157 4.340 -0.000 0.000 0.240 222 R C 2.508 178.753 176.300 -0.092 0.000 1.139 222 R CA 1.844 57.898 56.100 -0.077 0.000 0.952 222 R CB -0.321 29.970 30.300 -0.015 0.000 0.854 222 R HN 0.582 nan 8.270 nan 0.000 0.436 223 R N 0.838 121.265 120.500 -0.123 0.000 2.081 223 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 223 R C 2.366 178.601 176.300 -0.108 0.000 1.131 223 R CA 1.494 57.541 56.100 -0.087 0.000 0.960 223 R CB -0.136 30.118 30.300 -0.076 0.000 0.856 223 R HN 0.084 nan 8.270 nan 0.000 0.436 224 R N -0.311 120.054 120.500 -0.225 0.000 2.073 224 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 224 R C 2.054 178.304 176.300 -0.083 0.000 1.134 224 R CA 1.971 57.942 56.100 -0.216 0.000 0.952 224 R CB -0.347 29.727 30.300 -0.378 0.000 0.850 224 R HN 0.286 nan 8.270 nan 0.000 0.433 225 F N 0.227 120.160 119.950 -0.029 0.000 2.171 225 F HA -0.133 4.394 4.527 0.000 0.000 0.300 225 F C 2.637 178.422 175.800 -0.025 0.000 1.090 225 F CA 0.375 58.356 58.000 -0.032 0.000 1.293 225 F CB -0.243 38.736 39.000 -0.034 0.000 1.013 225 F HN 0.218 nan 8.300 nan 0.000 0.486 226 A N 0.288 123.189 122.820 0.136 0.000 1.873 226 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 226 A C 1.791 179.404 177.584 0.047 0.000 1.186 226 A CA 1.947 54.028 52.037 0.073 0.000 0.616 226 A CB -0.781 18.243 19.000 0.040 0.000 0.823 226 A HN 0.220 nan 8.150 nan 0.000 0.442 227 D N 0.118 120.537 120.400 0.030 0.000 2.182 227 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 227 D C 1.872 178.189 176.300 0.029 0.000 0.986 227 D CA 1.558 55.569 54.000 0.018 0.000 0.847 227 D CB -0.254 40.547 40.800 0.001 0.000 0.942 227 D HN 0.448 nan 8.370 nan 0.000 0.467 228 A N -0.568 122.284 122.820 0.054 0.000 2.251 228 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 228 A C 1.625 179.231 177.584 0.037 0.000 1.187 228 A CA 0.877 52.944 52.037 0.051 0.000 0.823 228 A CB -0.114 18.934 19.000 0.080 0.000 0.846 228 A HN 0.219 nan 8.150 nan 0.000 0.486 229 G N -0.868 107.955 108.800 0.038 0.000 2.198 229 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.257 229 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.257 229 G C 0.447 175.353 174.900 0.011 0.000 1.042 229 G CA 0.509 45.621 45.100 0.021 0.000 0.791 229 G HN 0.509 nan 8.290 nan 0.000 0.502 230 L N -0.838 120.401 121.223 0.027 0.000 2.731 230 L HA 0.364 4.704 4.340 -0.000 0.000 0.240 230 L C 2.714 179.560 176.870 -0.040 0.000 1.120 230 L CA 0.708 55.533 54.840 -0.025 0.000 0.913 230 L CB -0.037 41.991 42.059 -0.052 0.000 1.213 230 L HN 0.328 nan 8.230 nan 0.000 0.515 231 A N 1.033 123.866 122.820 0.023 0.000 2.076 231 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 231 A C 1.942 179.517 177.584 -0.015 0.000 1.160 231 A CA 1.838 53.890 52.037 0.025 0.000 0.653 231 A CB -0.412 18.620 19.000 0.053 0.000 0.801 231 A HN 0.600 nan 8.150 nan 0.000 0.455 232 D N 0.250 120.636 120.400 -0.023 0.000 2.219 232 D HA -0.208 4.432 4.640 -0.000 0.000 0.205 232 D C 1.592 177.862 176.300 -0.050 0.000 0.970 232 D CA 1.459 55.442 54.000 -0.029 0.000 0.851 232 D CB -0.340 40.448 40.800 -0.020 0.000 0.943 232 D HN 0.746 nan 8.370 nan 0.000 0.488 233 R N -0.352 120.101 120.500 -0.078 0.000 2.544 233 R HA 0.304 4.644 4.340 -0.000 0.000 0.303 233 R C -0.378 175.829 176.300 -0.155 0.000 0.939 233 R CA -0.249 55.790 56.100 -0.101 0.000 1.102 233 R CB 0.726 30.976 30.300 -0.084 0.000 1.440 233 R HN -0.044 nan 8.270 nan 0.000 0.532 234 V N 2.565 122.353 119.914 -0.210 0.000 2.407 234 V HA 0.370 4.490 4.120 -0.000 0.000 0.291 234 V C -0.065 175.898 176.094 -0.219 0.000 1.018 234 V CA -0.580 61.510 62.300 -0.349 0.000 0.842 234 V CB 1.487 32.830 31.823 -0.800 0.000 0.996 234 V HN 0.378 nan 8.190 nan 0.000 0.426 235 T N 2.001 116.489 114.554 -0.110 0.000 2.940 235 T HA 0.798 5.148 4.350 -0.000 0.000 0.288 235 T C -0.681 174.064 174.700 0.076 0.000 1.033 235 T CA -0.748 61.355 62.100 0.005 0.000 1.033 235 T CB 1.993 70.862 68.868 0.001 0.000 1.079 235 T HN 0.257 nan 8.240 nan 0.000 0.496 236 V N 1.603 121.589 119.914 0.120 0.000 2.459 236 V HA 0.758 4.878 4.120 -0.000 0.000 0.295 236 V C 0.177 176.313 176.094 0.070 0.000 1.029 236 V CA -0.807 61.571 62.300 0.130 0.000 0.874 236 V CB 1.109 33.017 31.823 0.141 0.000 0.985 236 V HN 1.292 nan 8.190 nan 0.000 0.438 237 A N 4.020 126.875 122.820 0.057 0.000 2.319 237 A HA 0.647 4.967 4.320 -0.000 0.000 0.310 237 A C -0.229 177.368 177.584 0.021 0.000 1.152 237 A CA -0.654 51.404 52.037 0.035 0.000 0.783 237 A CB 0.600 19.621 19.000 0.035 0.000 1.184 237 A HN 0.819 nan 8.150 nan 0.000 0.474 238 E N 1.217 121.424 120.200 0.012 0.000 2.324 238 E HA 0.448 4.798 4.350 -0.000 0.000 0.271 238 E C 0.433 177.029 176.600 -0.007 0.000 1.028 238 E CA 0.336 56.734 56.400 -0.003 0.000 0.890 238 E CB 1.183 30.881 29.700 -0.003 0.000 1.004 238 E HN 0.814 nan 8.360 nan 0.000 0.431 239 G N 2.088 110.872 108.800 -0.026 0.000 2.608 239 G HA2 0.198 4.158 3.960 -0.000 0.000 0.291 239 G HA3 0.198 4.158 3.960 -0.000 0.000 0.291 239 G C -1.772 173.085 174.900 -0.072 0.000 1.425 239 G CA -0.675 44.408 45.100 -0.027 0.000 0.787 239 G HN 0.421 nan 8.290 nan 0.000 0.484 240 D N 0.184 120.556 120.400 -0.046 0.000 2.414 240 D HA 0.359 4.999 4.640 -0.000 0.000 0.232 240 D C 1.115 177.402 176.300 -0.021 0.000 1.070 240 D CA -1.027 52.931 54.000 -0.070 0.000 0.839 240 D CB 0.798 41.618 40.800 0.034 0.000 1.079 240 D HN 0.199 nan 8.370 nan 0.000 0.521 241 F N 2.523 122.379 119.950 -0.156 0.000 2.722 241 F HA 0.186 4.713 4.527 0.000 0.000 0.298 241 F C 0.716 176.249 175.800 -0.446 0.000 1.175 241 F CA -0.459 57.364 58.000 -0.295 0.000 1.462 241 F CB -1.486 37.309 39.000 -0.342 0.000 1.111 241 F HN 0.183 nan 8.300 nan 0.000 0.592 242 F N 0.756 120.837 119.950 0.219 0.000 2.743 242 F HA 0.153 4.680 4.527 -0.000 0.000 0.297 242 F C 1.327 177.139 175.800 0.019 0.000 1.131 242 F CA 0.091 58.128 58.000 0.061 0.000 1.426 242 F CB -0.012 38.994 39.000 0.011 0.000 1.116 242 F HN -0.254 nan 8.300 nan 0.000 0.583 243 K N 0.533 121.027 120.400 0.156 0.000 2.132 243 K HA 0.366 4.686 4.320 -0.000 0.000 0.241 243 K C -2.446 174.183 176.600 0.048 0.000 1.000 243 K CA -2.270 54.070 56.287 0.088 0.000 0.911 243 K CB -0.289 32.252 32.500 0.068 0.000 1.093 243 K HN -0.237 nan 8.250 nan 0.000 0.460 244 P HA 0.050 nan 4.420 nan 0.000 0.262 244 P C -0.254 177.055 177.300 0.014 0.000 1.182 244 P CA 0.165 63.274 63.100 0.015 0.000 0.761 244 P CB 0.285 31.993 31.700 0.014 0.000 0.795 245 L N 6.051 127.275 121.223 0.003 0.000 2.452 245 L HA 0.144 4.484 4.340 -0.000 0.000 0.267 245 L C -0.779 176.097 176.870 0.010 0.000 1.188 245 L CA -1.210 53.632 54.840 0.005 0.000 0.821 245 L CB 0.062 42.114 42.059 -0.011 0.000 1.102 245 L HN 0.405 nan 8.230 nan 0.000 0.470 246 P HA 0.009 nan 4.420 nan 0.000 0.231 246 P C -0.299 177.020 177.300 0.032 0.000 1.168 246 P CA 0.492 63.606 63.100 0.023 0.000 0.779 246 P CB 0.224 31.940 31.700 0.027 0.000 0.844 247 V N -4.714 115.220 119.914 0.034 0.000 3.202 247 V HA 0.776 4.896 4.120 -0.000 0.000 0.306 247 V C -0.589 175.521 176.094 0.026 0.000 1.283 247 V CA -0.687 61.648 62.300 0.059 0.000 1.065 247 V CB 1.501 33.407 31.823 0.139 0.000 1.079 247 V HN 0.063 nan 8.190 nan 0.000 0.448 248 T N -1.106 113.474 114.554 0.044 0.000 2.948 248 T HA 0.994 5.344 4.350 -0.000 0.000 0.285 248 T C -0.120 174.556 174.700 -0.040 0.000 1.019 248 T CA -0.269 61.832 62.100 0.002 0.000 1.013 248 T CB 1.625 70.508 68.868 0.025 0.000 1.117 248 T HN 2.566 nan 8.240 nan 0.000 0.533 249 A N 0.620 123.386 122.820 -0.090 0.000 2.599 249 A HA 0.552 4.872 4.320 -0.000 0.000 0.294 249 A C 0.215 177.770 177.584 -0.048 0.000 1.055 249 A CA -0.429 51.506 52.037 -0.170 0.000 0.683 249 A CB 0.882 19.566 19.000 -0.526 0.000 1.278 249 A HN 0.854 nan 8.150 nan 0.000 0.412 250 D N 0.168 120.577 120.400 0.016 0.000 2.347 250 D HA 0.081 4.720 4.640 -0.000 0.000 0.213 250 D C 0.204 176.533 176.300 0.048 0.000 0.985 250 D CA 0.733 54.760 54.000 0.046 0.000 0.879 250 D CB 0.184 41.031 40.800 0.078 0.000 0.919 250 D HN 0.219 nan 8.370 nan 0.000 0.526 251 V N 1.171 121.099 119.914 0.024 0.000 2.623 251 V HA 0.260 4.380 4.120 -0.000 0.000 0.304 251 V C -0.492 175.584 176.094 -0.030 0.000 1.054 251 V CA -0.956 61.366 62.300 0.037 0.000 0.882 251 V CB 2.596 34.498 31.823 0.133 0.000 1.002 251 V HN -0.123 nan 8.190 nan 0.000 0.424 252 V N 5.919 125.818 119.914 -0.025 0.000 2.417 252 V HA 0.544 4.663 4.120 -0.000 0.000 0.291 252 V C -0.532 175.545 176.094 -0.029 0.000 1.024 252 V CA -0.617 61.653 62.300 -0.050 0.000 0.861 252 V CB 1.687 33.478 31.823 -0.053 0.000 0.985 252 V HN 0.647 nan 8.190 nan 0.000 0.436 253 L N 6.633 127.834 121.223 -0.037 0.000 2.333 253 L HA 0.662 5.002 4.340 -0.000 0.000 0.280 253 L C -0.897 175.954 176.870 -0.031 0.000 1.004 253 L CA -0.090 54.735 54.840 -0.024 0.000 0.820 253 L CB 1.469 43.513 42.059 -0.026 0.000 1.247 253 L HN 0.585 nan 8.230 nan 0.000 0.416 254 L N 4.665 125.871 121.223 -0.028 0.000 2.366 254 L HA 0.435 4.774 4.340 -0.000 0.000 0.266 254 L C -0.092 176.763 176.870 -0.025 0.000 1.010 254 L CA -0.189 54.630 54.840 -0.034 0.000 0.879 254 L CB 1.531 43.551 42.059 -0.064 0.000 1.228 254 L HN 0.692 nan 8.230 nan 0.000 0.439 255 S N 3.530 119.242 115.700 0.019 0.000 2.423 255 S HA 0.439 4.909 4.470 -0.000 0.000 0.317 255 S C 0.211 174.926 174.600 0.192 0.000 1.065 255 S CA -0.298 57.928 58.200 0.044 0.000 1.111 255 S CB -0.223 63.068 63.200 0.152 0.000 0.968 255 S HN 0.450 nan 8.310 nan 0.000 0.474 256 F N 2.774 122.822 119.950 0.164 0.000 2.943 256 F HA -0.200 4.327 4.527 -0.000 0.000 0.258 256 F C 0.834 176.714 175.800 0.134 0.000 0.995 256 F CA 0.332 58.431 58.000 0.165 0.000 0.896 256 F CB -2.049 37.077 39.000 0.209 0.000 0.821 256 F HN 0.418 nan 8.300 nan 0.000 0.828 257 V N -0.837 119.187 119.914 0.183 0.000 2.996 257 V HA -0.036 4.084 4.120 -0.000 0.000 0.235 257 V C 2.043 178.289 176.094 0.253 0.000 1.205 257 V CA 0.808 63.222 62.300 0.191 0.000 1.225 257 V CB -0.057 31.822 31.823 0.092 0.000 0.995 257 V HN 0.471 nan 8.190 nan 0.000 0.484 258 L N 1.071 122.387 121.223 0.155 0.000 2.079 258 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 258 L C 2.535 179.532 176.870 0.212 0.000 1.081 258 L CA 2.090 57.035 54.840 0.176 0.000 0.752 258 L CB -0.693 41.409 42.059 0.072 0.000 0.896 258 L HN 0.467 nan 8.230 nan 0.000 0.433 259 L N -2.230 119.091 121.223 0.164 0.000 2.349 259 L HA -0.175 4.165 4.340 -0.000 0.000 0.220 259 L C 1.435 178.364 176.870 0.098 0.000 1.130 259 L CA 1.639 56.557 54.840 0.130 0.000 0.791 259 L CB -0.715 41.426 42.059 0.137 0.000 0.918 259 L HN 0.276 nan 8.230 nan 0.000 0.444 260 N N -1.573 117.176 118.700 0.082 0.000 2.461 260 N HA 0.065 4.805 4.740 -0.000 0.000 0.188 260 N C -0.749 174.483 175.510 -0.463 0.000 1.134 260 N CA 0.179 53.137 53.050 -0.154 0.000 0.878 260 N CB 0.084 38.449 38.487 -0.204 0.000 0.972 260 N HN 0.386 nan 8.380 nan 0.000 0.456 261 W N 0.635 122.031 121.300 0.159 0.000 2.844 261 W HA 0.352 5.012 4.660 -0.000 0.000 0.340 261 W C 0.108 176.690 176.519 0.105 0.000 1.093 261 W CA -1.030 56.410 57.345 0.158 0.000 1.212 261 W CB 0.797 30.351 29.460 0.156 0.000 1.422 261 W HN -0.235 nan 8.180 nan 0.000 0.515 262 S N 0.390 116.311 115.700 0.368 0.000 2.580 262 S HA -0.044 4.426 4.470 -0.000 0.000 0.266 262 S C 0.761 175.476 174.600 0.191 0.000 1.354 262 S CA 0.128 58.459 58.200 0.218 0.000 1.008 262 S CB 0.801 64.112 63.200 0.185 0.000 0.898 262 S HN 0.542 nan 8.310 nan 0.000 0.555 263 D N 1.350 121.821 120.400 0.119 0.000 2.133 263 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 263 D C 1.820 178.169 176.300 0.081 0.000 0.997 263 D CA 1.885 55.935 54.000 0.084 0.000 0.840 263 D CB -0.387 40.445 40.800 0.055 0.000 0.947 263 D HN 0.739 nan 8.370 nan 0.000 0.452 264 E N 0.500 120.754 120.200 0.091 0.000 2.047 264 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 264 E C 1.718 178.377 176.600 0.099 0.000 0.987 264 E CA 0.987 57.433 56.400 0.077 0.000 0.799 264 E CB -0.151 29.591 29.700 0.070 0.000 0.752 264 E HN 0.221 nan 8.360 nan 0.000 0.449 265 D N -0.115 120.389 120.400 0.173 0.000 2.144 265 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 265 D C 1.777 178.131 176.300 0.089 0.000 0.978 265 D CA 1.302 55.435 54.000 0.221 0.000 0.833 265 D CB -0.281 40.773 40.800 0.423 0.000 0.961 265 D HN 0.185 nan 8.370 nan 0.000 0.470 266 A N 0.686 123.574 122.820 0.113 0.000 1.972 266 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 266 A C 2.130 179.668 177.584 -0.076 0.000 1.169 266 A CA 0.941 52.980 52.037 0.003 0.000 0.635 266 A CB -0.577 18.475 19.000 0.086 0.000 0.810 266 A HN 0.267 nan 8.150 nan 0.000 0.446 267 L N -0.504 120.702 121.223 -0.029 0.000 2.056 267 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 267 L C 2.528 179.357 176.870 -0.069 0.000 1.078 267 L CA 2.876 57.684 54.840 -0.052 0.000 0.749 267 L CB -1.074 40.971 42.059 -0.023 0.000 0.901 267 L HN 0.387 nan 8.230 nan 0.000 0.433 268 T N -1.044 113.491 114.554 -0.032 0.000 2.788 268 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 268 T C 1.977 176.603 174.700 -0.123 0.000 1.044 268 T CA 1.896 63.985 62.100 -0.018 0.000 1.139 268 T CB -0.427 68.498 68.868 0.096 0.000 0.867 268 T HN 0.406 nan 8.240 nan 0.000 0.454 269 I N 0.338 120.741 120.570 -0.277 0.000 2.179 269 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 269 I C 2.484 178.400 176.117 -0.334 0.000 1.088 269 I CA 1.243 62.242 61.300 -0.501 0.000 1.357 269 I CB -0.320 37.172 38.000 -0.846 0.000 1.051 269 I HN 0.271 nan 8.210 nan 0.000 0.409 270 L N 0.138 121.210 121.223 -0.251 0.000 2.046 270 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 270 L C 2.779 179.557 176.870 -0.153 0.000 1.077 270 L CA 1.392 56.113 54.840 -0.198 0.000 0.747 270 L CB -0.520 41.426 42.059 -0.188 0.000 0.896 270 L HN 0.140 nan 8.230 nan 0.000 0.432 271 R N -0.314 120.110 120.500 -0.126 0.000 2.091 271 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 271 R C 2.321 178.570 176.300 -0.085 0.000 1.136 271 R CA 1.366 57.412 56.100 -0.090 0.000 0.959 271 R CB -0.856 29.405 30.300 -0.064 0.000 0.856 271 R HN 0.473 nan 8.270 nan 0.000 0.437 272 G N 0.475 109.212 108.800 -0.105 0.000 2.418 272 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 272 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 272 G C 1.494 176.338 174.900 -0.095 0.000 1.158 272 G CA 0.908 45.953 45.100 -0.093 0.000 0.771 272 G HN 0.339 nan 8.290 nan 0.000 0.545 273 C N -0.249 118.976 119.300 -0.125 0.000 2.446 273 C HA 0.041 4.501 4.460 -0.000 0.000 0.277 273 C C 3.046 177.990 174.990 -0.077 0.000 1.275 273 C CA 0.528 59.481 59.018 -0.108 0.000 1.727 273 C CB -0.821 26.840 27.740 -0.131 0.000 2.010 273 C HN 0.282 nan 8.230 nan 0.000 0.486 274 V N 1.233 121.100 119.914 -0.078 0.000 2.407 274 V HA -0.198 3.921 4.120 -0.000 0.000 0.248 274 V C 2.686 178.756 176.094 -0.041 0.000 1.055 274 V CA 2.147 64.412 62.300 -0.057 0.000 1.049 274 V CB -0.661 31.123 31.823 -0.064 0.000 0.662 274 V HN 0.442 nan 8.190 nan 0.000 0.455 275 R N 1.052 121.527 120.500 -0.043 0.000 2.120 275 R HA -0.032 4.308 4.340 -0.000 0.000 0.234 275 R C 1.832 178.117 176.300 -0.025 0.000 1.123 275 R CA 1.717 57.800 56.100 -0.030 0.000 0.975 275 R CB -0.604 29.679 30.300 -0.028 0.000 0.866 275 R HN 0.453 nan 8.270 nan 0.000 0.446 276 A N -0.256 122.544 122.820 -0.034 0.000 2.275 276 A HA 0.212 4.532 4.320 -0.000 0.000 0.212 276 A C 0.241 177.804 177.584 -0.034 0.000 1.201 276 A CA -0.325 51.693 52.037 -0.032 0.000 0.843 276 A CB -0.123 18.851 19.000 -0.043 0.000 0.873 276 A HN 0.234 nan 8.150 nan 0.000 0.492 277 L N 1.589 122.794 121.223 -0.029 0.000 2.315 277 L HA 0.266 4.606 4.340 -0.000 0.000 0.283 277 L C 0.063 176.930 176.870 -0.005 0.000 1.089 277 L CA -0.185 54.643 54.840 -0.020 0.000 0.833 277 L CB 0.301 42.353 42.059 -0.013 0.000 1.170 277 L HN 0.317 nan 8.230 nan 0.000 0.442 278 E N 6.183 126.384 120.200 0.002 0.000 2.415 278 E HA 0.121 4.470 4.350 -0.000 0.000 0.262 278 E C -2.136 174.474 176.600 0.017 0.000 1.038 278 E CA -1.583 54.825 56.400 0.014 0.000 0.921 278 E CB -0.030 29.686 29.700 0.026 0.000 0.950 278 E HN 0.499 nan 8.360 nan 0.000 0.438 279 P HA -0.067 nan 4.420 nan 0.000 0.264 279 P C 0.630 177.942 177.300 0.021 0.000 1.183 279 P CA 0.959 64.069 63.100 0.017 0.000 0.763 279 P CB 0.394 32.103 31.700 0.014 0.000 0.807 280 G N 1.726 110.539 108.800 0.022 0.000 2.212 280 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.266 280 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.266 280 G C 0.711 175.632 174.900 0.034 0.000 0.978 280 G CA 0.064 45.180 45.100 0.026 0.000 0.632 280 G HN 0.904 nan 8.290 nan 0.000 0.537 281 G N -0.708 108.113 108.800 0.035 0.000 2.683 281 G HA2 0.502 4.462 3.960 -0.000 0.000 0.260 281 G HA3 0.502 4.462 3.960 -0.000 0.000 0.260 281 G C -0.021 174.910 174.900 0.052 0.000 1.238 281 G CA -0.322 44.804 45.100 0.043 0.000 0.934 281 G HN 0.380 nan 8.290 nan 0.000 0.534 282 R N -0.747 119.789 120.500 0.061 0.000 2.561 282 R HA 0.368 4.708 4.340 -0.000 0.000 0.297 282 R C -1.027 175.305 176.300 0.053 0.000 0.969 282 R CA -0.858 55.283 56.100 0.068 0.000 0.879 282 R CB 1.541 31.896 30.300 0.091 0.000 1.178 282 R HN 0.437 nan 8.270 nan 0.000 0.445 283 L N 4.305 125.578 121.223 0.083 0.000 2.282 283 L HA 0.523 4.863 4.340 -0.000 0.000 0.288 283 L C -1.043 175.891 176.870 0.107 0.000 1.033 283 L CA -0.569 54.322 54.840 0.086 0.000 0.807 283 L CB 0.679 42.798 42.059 0.101 0.000 1.209 283 L HN 0.459 nan 8.230 nan 0.000 0.423 284 L N 6.006 127.248 121.223 0.032 0.000 2.341 284 L HA 0.555 4.894 4.340 -0.000 0.000 0.278 284 L C -0.745 176.141 176.870 0.027 0.000 1.005 284 L CA -0.924 53.907 54.840 -0.016 0.000 0.818 284 L CB 1.866 43.838 42.059 -0.145 0.000 1.259 284 L HN 0.277 nan 8.230 nan 0.000 0.418 285 V N 4.398 124.346 119.914 0.057 0.000 2.334 285 V HA 0.329 4.449 4.120 -0.000 0.000 0.281 285 V C -0.275 175.806 176.094 -0.023 0.000 1.016 285 V CA -0.443 61.881 62.300 0.040 0.000 0.832 285 V CB 1.852 33.752 31.823 0.129 0.000 0.999 285 V HN 0.473 nan 8.190 nan 0.000 0.439 286 L N 5.616 126.782 121.223 -0.095 0.000 2.272 286 L HA 0.789 5.129 4.340 -0.000 0.000 0.289 286 L C -0.513 176.041 176.870 -0.526 0.000 1.032 286 L CA 0.961 55.694 54.840 -0.178 0.000 0.810 286 L CB 1.053 43.043 42.059 -0.115 0.000 1.205 286 L HN 0.706 nan 8.230 nan 0.000 0.422 287 D N 2.555 122.690 120.400 -0.441 0.000 2.970 287 D HA 0.585 5.225 4.640 -0.000 0.000 0.344 287 D C -1.236 175.094 176.300 0.049 0.000 1.365 287 D CA -0.396 53.301 54.000 -0.505 0.000 0.910 287 D CB 1.687 42.399 40.800 -0.146 0.000 1.445 287 D HN 0.502 nan 8.370 nan 0.000 0.532 297 D N 0.387 120.940 120.400 0.255 0.000 3.181 297 D HA -0.328 4.311 4.640 -0.000 0.000 0.190 297 D C 1.333 177.746 176.300 0.189 0.000 1.155 297 D CA 2.754 56.908 54.000 0.257 0.000 0.901 297 D CB -0.407 40.483 40.800 0.150 0.000 0.891 297 D HN 0.552 nan 8.370 nan 0.000 0.498 298 R N -1.329 119.232 120.500 0.103 0.000 2.090 298 R HA 0.023 4.363 4.340 -0.000 0.000 0.228 298 R C 2.405 178.705 176.300 0.001 0.000 1.110 298 R CA 1.084 57.212 56.100 0.047 0.000 0.973 298 R CB -0.640 29.677 30.300 0.028 0.000 0.869 298 R HN 0.336 nan 8.270 nan 0.000 0.440 299 F N 1.169 121.001 119.950 -0.198 0.000 2.069 299 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 299 F C 1.657 177.257 175.800 -0.333 0.000 1.113 299 F CA 1.576 59.365 58.000 -0.351 0.000 1.214 299 F CB -0.323 38.319 39.000 -0.597 0.000 0.978 299 F HN -0.148 nan 8.300 nan 0.000 0.474 300 F N 0.796 120.788 119.950 0.070 0.000 2.171 300 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 300 F C 2.887 178.596 175.800 -0.151 0.000 1.090 300 F CA 1.264 59.230 58.000 -0.057 0.000 1.293 300 F CB -1.105 37.939 39.000 0.074 0.000 1.013 300 F HN 0.124 nan 8.300 nan 0.000 0.486 301 S N -0.466 115.268 115.700 0.057 0.000 2.368 301 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 301 S C 2.062 176.606 174.600 -0.094 0.000 1.029 301 S CA 1.446 59.642 58.200 -0.008 0.000 0.988 301 S CB -1.441 61.769 63.200 0.016 0.000 0.838 301 S HN 0.497 nan 8.310 nan 0.000 0.462 302 T N 0.529 114.985 114.554 -0.163 0.000 2.867 302 T HA 0.131 4.480 4.350 -0.000 0.000 0.268 302 T C 1.781 176.324 174.700 -0.262 0.000 1.057 302 T CA 0.785 62.770 62.100 -0.191 0.000 1.136 302 T CB -0.693 68.065 68.868 -0.184 0.000 0.874 302 T HN 0.314 nan 8.240 nan 0.000 0.466 303 L N -0.066 120.904 121.223 -0.420 0.000 1.994 303 L HA 0.010 4.349 4.340 -0.000 0.000 0.208 303 L C 2.584 179.326 176.870 -0.215 0.000 1.071 303 L CA 1.528 56.114 54.840 -0.422 0.000 0.745 303 L CB -0.491 41.226 42.059 -0.570 0.000 0.892 303 L HN 0.303 nan 8.230 nan 0.000 0.431 304 L N 0.397 121.528 121.223 -0.155 0.000 2.012 304 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 304 L C 2.048 178.844 176.870 -0.123 0.000 1.073 304 L CA 2.418 57.192 54.840 -0.109 0.000 0.748 304 L CB -0.829 41.190 42.059 -0.066 0.000 0.891 304 L HN 0.349 nan 8.230 nan 0.000 0.431 305 D N -0.950 119.388 120.400 -0.104 0.000 2.104 305 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 305 D C 2.168 178.417 176.300 -0.085 0.000 0.994 305 D CA 1.865 55.815 54.000 -0.084 0.000 0.830 305 D CB -0.158 40.602 40.800 -0.066 0.000 0.959 305 D HN 0.452 nan 8.370 nan 0.000 0.452 306 L N -0.374 120.811 121.223 -0.063 0.000 2.093 306 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 306 L C 2.790 179.670 176.870 0.017 0.000 1.085 306 L CA 0.790 55.650 54.840 0.034 0.000 0.755 306 L CB -0.381 41.758 42.059 0.134 0.000 0.904 306 L HN 0.041 nan 8.230 nan 0.000 0.435 307 R N -0.598 119.846 120.500 -0.095 0.000 2.083 307 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 307 R C 2.383 178.199 176.300 -0.805 0.000 1.137 307 R CA 1.341 57.057 56.100 -0.641 0.000 0.951 307 R CB -0.245 29.596 30.300 -0.765 0.000 0.851 307 R HN 0.251 nan 8.270 nan 0.000 0.434 308 M N 0.337 119.681 119.600 -0.426 0.000 2.080 308 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 308 M C 2.349 178.521 176.300 -0.213 0.000 1.068 308 M CA 1.336 56.467 55.300 -0.282 0.000 1.109 308 M CB -0.882 31.632 32.600 -0.144 0.000 1.342 308 M HN 0.163 nan 8.290 nan 0.000 0.405 309 L N 0.138 121.263 121.223 -0.163 0.000 2.017 309 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 309 L C 2.235 179.024 176.870 -0.136 0.000 1.073 309 L CA 2.044 56.818 54.840 -0.110 0.000 0.745 309 L CB -1.119 40.897 42.059 -0.071 0.000 0.894 309 L HN 0.244 nan 8.230 nan 0.000 0.432 310 T N -0.552 113.865 114.554 -0.228 0.000 2.812 310 T HA -0.085 4.265 4.350 -0.000 0.000 0.264 310 T C 1.734 176.418 174.700 -0.027 0.000 1.042 310 T CA 1.718 63.652 62.100 -0.277 0.000 1.140 310 T CB -0.408 67.951 68.868 -0.849 0.000 0.870 310 T HN 0.323 nan 8.240 nan 0.000 0.445 311 F N 1.342 121.105 119.950 -0.312 0.000 2.128 311 F HA 0.080 4.607 4.527 0.000 0.000 0.295 311 F C 2.222 177.772 175.800 -0.416 0.000 1.100 311 F CA 0.489 58.261 58.000 -0.380 0.000 1.260 311 F CB -0.052 38.523 39.000 -0.709 0.000 1.009 311 F HN 0.171 nan 8.300 nan 0.000 0.476 312 M N -1.824 117.664 119.600 -0.187 0.000 2.241 312 M HA 0.508 4.988 4.480 -0.000 0.000 0.374 312 M C 0.880 177.088 176.300 -0.152 0.000 0.922 312 M CA 0.701 55.858 55.300 -0.237 0.000 1.031 312 M CB 1.301 33.658 32.600 -0.405 0.000 1.864 312 M HN 0.090 nan 8.290 nan 0.000 0.636 313 G N 0.993 109.744 108.800 -0.081 0.000 2.136 313 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.242 313 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.242 313 G C 0.123 175.032 174.900 0.016 0.000 0.989 313 G CA -0.042 45.054 45.100 -0.005 0.000 0.682 313 G HN 0.884 nan 8.290 nan 0.000 0.522 314 G N -0.731 108.047 108.800 -0.037 0.000 3.075 314 G HA2 0.995 4.955 3.960 -0.000 0.000 0.253 314 G HA3 0.995 4.955 3.960 -0.000 0.000 0.253 314 G C -0.263 174.635 174.900 -0.003 0.000 1.353 314 G CA -0.217 44.888 45.100 0.007 0.000 1.051 314 G HN 1.256 nan 8.290 nan 0.000 0.553 315 R N -2.211 118.302 120.500 0.021 0.000 2.709 315 R HA 0.450 4.790 4.340 -0.000 0.000 0.270 315 R C -1.920 174.397 176.300 0.027 0.000 1.038 315 R CA -0.809 55.297 56.100 0.010 0.000 0.872 315 R CB 1.057 31.365 30.300 0.014 0.000 1.259 315 R HN 0.377 nan 8.270 nan 0.000 0.473 316 V N 2.454 122.377 119.914 0.015 0.000 2.470 316 V HA 0.281 4.401 4.120 -0.000 0.000 0.276 316 V C 0.514 176.628 176.094 0.033 0.000 1.040 316 V CA -0.111 62.204 62.300 0.027 0.000 1.008 316 V CB 0.561 32.389 31.823 0.009 0.000 0.990 316 V HN 0.553 nan 8.190 nan 0.000 0.477 317 R N 2.707 123.235 120.500 0.047 0.000 2.428 317 R HA 0.483 4.823 4.340 -0.000 0.000 0.294 317 R C 0.645 176.974 176.300 0.047 0.000 1.000 317 R CA -0.380 55.748 56.100 0.046 0.000 0.960 317 R CB 1.582 31.913 30.300 0.053 0.000 1.076 317 R HN 0.896 nan 8.270 nan 0.000 0.475 318 T N -0.664 113.915 114.554 0.042 0.000 2.726 318 T HA 0.103 4.453 4.350 -0.000 0.000 0.294 318 T C 1.302 176.032 174.700 0.051 0.000 1.013 318 T CA -0.376 61.749 62.100 0.042 0.000 0.996 318 T CB 0.815 69.704 68.868 0.034 0.000 1.016 318 T HN 0.554 nan 8.240 nan 0.000 0.529 319 R N 0.734 121.263 120.500 0.048 0.000 2.113 319 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 319 R C 2.291 178.633 176.300 0.069 0.000 1.129 319 R CA 2.156 58.290 56.100 0.056 0.000 0.915 319 R CB -0.811 29.512 30.300 0.038 0.000 0.837 319 R HN 0.742 nan 8.270 nan 0.000 0.430 320 D N 0.860 121.293 120.400 0.055 0.000 2.157 320 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 320 D C 1.756 178.090 176.300 0.057 0.000 1.004 320 D CA 1.545 55.578 54.000 0.055 0.000 0.854 320 D CB -0.415 40.408 40.800 0.038 0.000 0.936 320 D HN 0.433 nan 8.370 nan 0.000 0.446 321 E N 0.182 120.411 120.200 0.048 0.000 2.130 321 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 321 E C 2.337 178.963 176.600 0.044 0.000 0.998 321 E CA 0.779 57.203 56.400 0.041 0.000 0.806 321 E CB 0.083 29.806 29.700 0.038 0.000 0.738 321 E HN 0.136 nan 8.360 nan 0.000 0.459 322 V N 0.412 120.367 119.914 0.069 0.000 2.548 322 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 322 V C 2.221 178.363 176.094 0.081 0.000 1.055 322 V CA 0.928 63.274 62.300 0.077 0.000 1.065 322 V CB -0.099 31.800 31.823 0.127 0.000 0.681 322 V HN 0.129 nan 8.190 nan 0.000 0.462 323 V N 0.512 120.515 119.914 0.149 0.000 2.295 323 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 323 V C 2.289 178.408 176.094 0.042 0.000 1.049 323 V CA 2.267 64.679 62.300 0.187 0.000 1.024 323 V CB -0.618 31.319 31.823 0.190 0.000 0.648 323 V HN 0.566 nan 8.190 nan 0.000 0.447 324 D N -0.307 120.109 120.400 0.027 0.000 2.144 324 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 324 D C 1.925 178.202 176.300 -0.039 0.000 0.978 324 D CA 0.939 54.938 54.000 -0.002 0.000 0.833 324 D CB -0.259 40.547 40.800 0.010 0.000 0.961 324 D HN 0.340 nan 8.370 nan 0.000 0.470 325 L N 0.895 122.089 121.223 -0.047 0.000 2.056 325 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 325 L C 2.120 178.899 176.870 -0.151 0.000 1.078 325 L CA 1.510 56.307 54.840 -0.073 0.000 0.749 325 L CB -0.627 41.402 42.059 -0.050 0.000 0.901 325 L HN -0.032 nan 8.230 nan 0.000 0.433 326 A N -0.657 122.008 122.820 -0.258 0.000 1.898 326 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 326 A C 2.348 179.744 177.584 -0.314 0.000 1.181 326 A CA 1.356 53.106 52.037 -0.478 0.000 0.620 326 A CB -1.559 16.725 19.000 -1.194 0.000 0.819 326 A HN 0.504 nan 8.150 nan 0.000 0.442 327 G N -0.530 108.157 108.800 -0.189 0.000 2.469 327 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 327 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 327 G C 1.895 176.745 174.900 -0.082 0.000 1.150 327 G CA 1.621 46.665 45.100 -0.094 0.000 0.763 327 G HN 0.686 nan 8.290 nan 0.000 0.561 328 S N 0.462 116.113 115.700 -0.082 0.000 2.515 328 S HA 0.318 4.788 4.470 -0.000 0.000 0.231 328 S C 2.128 176.684 174.600 -0.074 0.000 0.987 328 S CA 1.161 59.324 58.200 -0.062 0.000 0.936 328 S CB -0.191 62.980 63.200 -0.048 0.000 0.766 328 S HN 0.534 nan 8.310 nan 0.000 0.528 329 A N -0.177 122.577 122.820 -0.110 0.000 2.345 329 A HA 0.590 4.910 4.320 -0.000 0.000 0.225 329 A C 1.422 178.945 177.584 -0.101 0.000 1.243 329 A CA 0.399 52.368 52.037 -0.113 0.000 0.875 329 A CB -0.786 18.121 19.000 -0.155 0.000 0.929 329 A HN 1.352 nan 8.150 nan 0.000 0.502 330 G N -0.826 107.922 108.800 -0.087 0.000 2.149 330 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.235 330 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.235 330 G C -0.194 174.668 174.900 -0.063 0.000 1.018 330 G CA 0.317 45.381 45.100 -0.060 0.000 0.728 330 G HN 0.456 nan 8.290 nan 0.000 0.508 331 L N -0.178 120.981 121.223 -0.107 0.000 2.342 331 L HA 0.886 5.226 4.340 -0.000 0.000 0.271 331 L C 0.429 177.295 176.870 -0.006 0.000 1.008 331 L CA -0.659 54.125 54.840 -0.094 0.000 0.818 331 L CB 2.208 44.080 42.059 -0.313 0.000 1.296 331 L HN 0.367 nan 8.230 nan 0.000 0.427 332 A N 2.225 125.133 122.820 0.147 0.000 2.365 332 A HA 0.658 4.977 4.320 -0.000 0.000 0.318 332 A C -1.035 176.777 177.584 0.380 0.000 1.091 332 A CA -0.625 51.533 52.037 0.203 0.000 0.763 332 A CB 1.431 20.495 19.000 0.107 0.000 1.248 332 A HN 0.551 nan 8.150 nan 0.000 0.442 333 L N 2.268 123.695 121.223 0.340 0.000 2.534 333 L HA 0.384 4.724 4.340 -0.000 0.000 0.271 333 L C 1.098 177.959 176.870 -0.015 0.000 1.178 333 L CA 1.274 56.171 54.840 0.094 0.000 0.907 333 L CB 0.688 42.773 42.059 0.043 0.000 1.164 333 L HN 0.860 nan 8.230 nan 0.000 0.482 334 A N 3.302 126.054 122.820 -0.112 0.000 1.993 334 A HA 0.429 4.749 4.320 -0.000 0.000 0.207 334 A C 0.684 178.216 177.584 -0.086 0.000 1.224 334 A CA 0.804 52.804 52.037 -0.062 0.000 0.749 334 A CB -0.034 18.946 19.000 -0.032 0.000 0.884 334 A HN 0.842 nan 8.150 nan 0.000 0.467 335 S N -1.260 114.353 115.700 -0.146 0.000 2.578 335 S HA 0.543 5.013 4.470 -0.000 0.000 0.272 335 S C -1.571 172.938 174.600 -0.152 0.000 1.145 335 S CA -0.597 57.535 58.200 -0.114 0.000 0.835 335 S CB 1.476 64.634 63.200 -0.070 0.000 1.104 335 S HN 0.313 nan 8.310 nan 0.000 0.458 336 E N 0.515 120.653 120.200 -0.104 0.000 2.340 336 E HA 0.599 4.949 4.350 -0.000 0.000 0.273 336 E C -1.591 174.976 176.600 -0.055 0.000 0.891 336 E CA -0.721 55.622 56.400 -0.095 0.000 0.757 336 E CB 1.927 31.571 29.700 -0.092 0.000 1.231 336 E HN 0.767 nan 8.360 nan 0.000 0.439 337 R N 0.989 121.465 120.500 -0.039 0.000 2.515 337 R HA 0.341 4.681 4.340 -0.000 0.000 0.278 337 R C -0.925 175.324 176.300 -0.084 0.000 1.107 337 R CA -0.820 55.256 56.100 -0.040 0.000 0.945 337 R CB 1.769 32.071 30.300 0.004 0.000 1.219 337 R HN 0.545 nan 8.270 nan 0.000 0.434 338 T N -1.267 113.201 114.554 -0.143 0.000 2.856 338 T HA 0.722 5.072 4.350 -0.000 0.000 0.283 338 T C -0.408 174.069 174.700 -0.371 0.000 1.008 338 T CA -0.695 61.243 62.100 -0.271 0.000 0.997 338 T CB 2.034 70.806 68.868 -0.159 0.000 0.992 338 T HN 0.464 nan 8.240 nan 0.000 0.454 339 S N 0.938 116.201 115.700 -0.729 0.000 2.625 339 S HA 0.834 5.304 4.470 -0.000 0.000 0.271 339 S C -0.180 174.092 174.600 -0.547 0.000 1.161 339 S CA -0.301 57.567 58.200 -0.552 0.000 0.820 339 S CB 1.291 64.246 63.200 -0.409 0.000 1.137 339 S HN 1.357 nan 8.310 nan 0.000 0.470 340 G N 0.729 109.434 108.800 -0.158 0.000 2.509 340 G HA2 0.690 4.650 3.960 -0.000 0.000 0.328 340 G HA3 0.690 4.650 3.960 -0.000 0.000 0.328 340 G C -0.578 174.411 174.900 0.149 0.000 1.194 340 G CA -0.160 44.935 45.100 -0.007 0.000 0.967 340 G HN 1.274 nan 8.290 nan 0.000 0.488 341 S N -2.240 113.526 115.700 0.109 0.000 2.627 341 S HA 0.546 5.016 4.470 -0.000 0.000 0.283 341 S C 1.039 175.638 174.600 -0.001 0.000 1.127 341 S CA 0.465 58.710 58.200 0.075 0.000 0.863 341 S CB 1.528 64.753 63.200 0.043 0.000 1.121 341 S HN 1.167 nan 8.310 nan 0.000 0.479 342 T N -1.161 113.388 114.554 -0.008 0.000 3.014 342 T HA -0.025 4.325 4.350 -0.000 0.000 0.263 342 T C 1.884 176.556 174.700 -0.048 0.000 1.078 342 T CA 1.748 63.835 62.100 -0.021 0.000 1.135 342 T CB -1.270 67.591 68.868 -0.011 0.000 0.895 342 T HN 0.915 nan 8.240 nan 0.000 0.480 343 T N 1.395 115.906 114.554 -0.072 0.000 2.698 343 T HA 0.221 4.571 4.350 -0.000 0.000 0.260 343 T C 0.999 175.609 174.700 -0.150 0.000 1.044 343 T CA 0.141 62.179 62.100 -0.104 0.000 1.149 343 T CB -0.952 67.841 68.868 -0.125 0.000 0.864 343 T HN 0.401 nan 8.240 nan 0.000 0.419 344 L N 2.857 123.937 121.223 -0.238 0.000 2.416 344 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 344 L C -1.503 175.186 176.870 -0.303 0.000 1.161 344 L CA -1.827 52.758 54.840 -0.425 0.000 0.845 344 L CB 0.431 42.019 42.059 -0.785 0.000 1.119 344 L HN 0.143 nan 8.230 nan 0.000 0.464 345 P HA 0.007 nan 4.420 nan 0.000 0.245 345 P C -0.626 176.752 177.300 0.130 0.000 1.212 345 P CA 0.655 63.767 63.100 0.020 0.000 0.774 345 P CB -0.073 31.705 31.700 0.131 0.000 0.999 346 F N -2.502 117.476 119.950 0.048 0.000 2.601 346 F HA 0.594 5.121 4.527 -0.000 0.000 0.309 346 F C -0.677 175.195 175.800 0.120 0.000 1.089 346 F CA -2.017 56.028 58.000 0.074 0.000 0.940 346 F CB 0.596 39.649 39.000 0.088 0.000 1.273 346 F HN -0.413 nan 8.300 nan 0.000 0.450 347 D N 2.323 122.841 120.400 0.197 0.000 2.382 347 D HA 0.321 4.961 4.640 -0.000 0.000 0.240 347 D C -0.375 176.093 176.300 0.281 0.000 1.146 347 D CA 0.288 54.350 54.000 0.104 0.000 0.897 347 D CB 0.597 41.400 40.800 0.005 0.000 1.197 347 D HN 0.529 nan 8.370 nan 0.000 0.432 348 F N -1.287 118.761 119.950 0.163 0.000 2.541 348 F HA 0.751 5.278 4.527 -0.000 0.000 0.331 348 F C -0.058 175.831 175.800 0.148 0.000 1.057 348 F CA -1.180 56.970 58.000 0.250 0.000 0.975 348 F CB 1.349 40.506 39.000 0.261 0.000 1.246 348 F HN 0.206 nan 8.300 nan 0.000 0.484 349 S N 1.729 117.579 115.700 0.250 0.000 2.540 349 S HA 0.717 5.187 4.470 -0.000 0.000 0.275 349 S C -1.454 173.248 174.600 0.169 0.000 1.123 349 S CA -0.767 57.490 58.200 0.094 0.000 0.907 349 S CB 1.198 64.420 63.200 0.037 0.000 1.081 349 S HN 0.745 nan 8.310 nan 0.000 0.476 350 I N 3.891 124.536 120.570 0.124 0.000 2.382 350 I HA 0.354 4.524 4.170 -0.000 0.000 0.285 350 I C -0.919 175.176 176.117 -0.036 0.000 1.007 350 I CA -0.677 60.665 61.300 0.070 0.000 1.142 350 I CB 1.448 39.521 38.000 0.121 0.000 1.289 350 I HN 0.520 nan 8.210 nan 0.000 0.453 351 L N 6.594 127.763 121.223 -0.090 0.000 2.265 351 L HA 0.370 4.710 4.340 -0.000 0.000 0.288 351 L C 0.332 176.941 176.870 -0.435 0.000 1.058 351 L CA -0.103 54.562 54.840 -0.292 0.000 0.809 351 L CB 0.927 42.850 42.059 -0.227 0.000 1.179 351 L HN 0.606 nan 8.230 nan 0.000 0.429 352 E N 4.113 124.007 120.200 -0.509 0.000 2.133 352 E HA 0.469 4.819 4.350 -0.000 0.000 0.274 352 E C -1.500 174.805 176.600 -0.491 0.000 0.930 352 E CA -0.520 55.671 56.400 -0.347 0.000 0.770 352 E CB 0.973 30.612 29.700 -0.102 0.000 1.104 352 E HN 0.332 nan 8.360 nan 0.000 0.403 353 F N 1.369 121.318 119.950 -0.002 0.000 2.579 353 F HA 0.426 4.953 4.527 -0.000 0.000 0.324 353 F C 0.413 176.212 175.800 -0.001 0.000 1.058 353 F CA -0.662 57.335 58.000 -0.004 0.000 0.944 353 F CB 2.309 41.300 39.000 -0.015 0.000 1.245 353 F HN 0.347 nan 8.300 nan 0.000 0.477 354 T N -0.829 113.851 114.554 0.209 0.000 2.924 354 T HA 0.786 5.136 4.350 -0.000 0.000 0.291 354 T C -0.529 174.225 174.700 0.091 0.000 1.045 354 T CA -1.096 61.072 62.100 0.114 0.000 1.015 354 T CB 1.669 70.581 68.868 0.074 0.000 1.103 354 T HN 0.800 nan 8.240 nan 0.000 0.496 355 A N 1.450 124.300 122.820 0.050 0.000 2.454 355 A HA 0.463 4.783 4.320 -0.000 0.000 0.260 355 A C 1.278 178.877 177.584 0.025 0.000 1.106 355 A CA -0.638 51.413 52.037 0.024 0.000 0.780 355 A CB -0.225 18.782 19.000 0.012 0.000 1.044 355 A HN 0.863 nan 8.150 nan 0.000 0.498 356 V N 2.769 122.693 119.914 0.017 0.000 2.970 356 V HA -0.067 4.053 4.120 -0.000 0.000 0.260 356 V C 1.356 177.457 176.094 0.011 0.000 1.100 356 V CA 1.796 64.107 62.300 0.018 0.000 1.122 356 V CB -1.299 30.532 31.823 0.014 0.000 0.721 356 V HN 0.955 nan 8.190 nan 0.000 0.483 357 S N 0.000 115.703 115.700 0.006 0.000 2.498 357 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 357 S CA 0.000 58.202 58.200 0.004 0.000 1.107 357 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 357 S HN 0.000 nan 8.310 nan 0.000 0.517