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 2flq_1_B DATA FIRST_RESID 11 DATA SEQUENCE QHDEQLMTKA EQFIIASYRE LGKSEQEIKR RVNEIRWEVE QTGTYRHTYE DATA SEQUENCE ELSYGAKMAW RHSNRCIGRL FWQSLHVIDA REAVTEEEVF SYLFHHIEVA DATA SEQUENCE TNGGKIRPTI TIFRPNGEVR IWNHQLIRYA GYETEEGIIG DSSSLTFTRA DATA SEQUENCE CEQLGWKGEK TPFDVLPLVI QVGGQKPVWT PIPKELVLEV PIEHPEFPWF DATA SEQUENCE RDLQLKWYAV PIISDMCLEI GGIRYMAAPF NGWYMGTEIG ARNFADDYRY DATA SEQUENCE NMLPKVASCM GLDTNSNASL WKDKALVELN IAVLYSYKKA GVSIVDHHTA DATA SEQUENCE ARQFQLFEQQ EKAAGRHVTG DWTWLIPPLS PATTHIFHRS YDNTMMLPNF DATA SEQUENCE FYQDRPYE 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 176.100 176.000 0.167 0.000 1.003 11 Q CA 0.000 55.842 55.803 0.064 0.000 1.022 11 Q CB 0.000 28.756 28.738 0.029 0.000 1.108 12 H N -0.458 118.600 119.070 -0.021 0.000 2.373 12 H HA 0.126 4.683 4.556 0.001 0.000 0.290 12 H C 0.547 175.862 175.328 -0.022 0.000 0.989 12 H CA 0.662 56.695 56.048 -0.026 0.000 1.250 12 H CB 0.858 30.604 29.762 -0.027 0.000 1.477 12 H HN 0.229 nan 8.280 nan 0.000 0.551 13 D N 0.167 120.617 120.400 0.083 0.000 2.305 13 D HA -0.097 4.543 4.640 0.000 0.000 0.206 13 D C 1.992 178.297 176.300 0.008 0.000 0.974 13 D CA 0.701 54.715 54.000 0.023 0.000 0.871 13 D CB 0.375 41.193 40.800 0.030 0.000 0.947 13 D HN 0.590 nan 8.370 nan 0.000 0.516 14 E N 0.129 120.339 120.200 0.016 0.000 2.076 14 E HA -0.215 4.135 4.350 0.000 0.000 0.190 14 E C 1.969 178.568 176.600 -0.002 0.000 0.979 14 E CA 0.533 56.935 56.400 0.005 0.000 0.807 14 E CB -0.403 29.302 29.700 0.008 0.000 0.761 14 E HN 0.229 nan 8.360 nan 0.000 0.454 15 Q N 0.680 120.480 119.800 0.000 0.000 2.112 15 Q HA -0.225 4.115 4.340 0.000 0.000 0.206 15 Q C 2.299 178.282 176.000 -0.028 0.000 0.987 15 Q CA 1.659 57.454 55.803 -0.013 0.000 0.858 15 Q CB -0.149 28.579 28.738 -0.016 0.000 0.905 15 Q HN 0.403 nan 8.270 nan 0.000 0.420 16 L N 0.038 121.238 121.223 -0.038 0.000 2.012 16 L HA -0.206 4.134 4.340 0.000 0.000 0.210 16 L C 2.196 179.069 176.870 0.004 0.000 1.073 16 L CA 1.880 56.704 54.840 -0.028 0.000 0.748 16 L CB -0.669 41.376 42.059 -0.023 0.000 0.891 16 L HN 0.318 nan 8.230 nan 0.000 0.431 17 M N -0.809 118.786 119.600 -0.007 0.000 2.159 17 M HA -0.188 4.292 4.480 0.000 0.000 0.263 17 M C 2.328 178.625 176.300 -0.004 0.000 1.063 17 M CA 1.996 57.284 55.300 -0.021 0.000 1.110 17 M CB -1.416 31.164 32.600 -0.032 0.000 1.374 17 M HN 0.405 nan 8.290 nan 0.000 0.411 18 T N 0.654 115.207 114.554 -0.001 0.000 2.635 18 T HA -0.189 4.161 4.350 0.000 0.000 0.267 18 T C 1.872 176.588 174.700 0.027 0.000 1.040 18 T CA 1.664 63.768 62.100 0.007 0.000 1.156 18 T CB 0.051 68.920 68.868 0.002 0.000 0.863 18 T HN 0.370 nan 8.240 nan 0.000 0.430 19 K N 0.626 121.043 120.400 0.027 0.000 2.057 19 K HA 0.018 4.338 4.320 0.000 0.000 0.207 19 K C 2.576 179.248 176.600 0.121 0.000 1.049 19 K CA 1.173 57.492 56.287 0.052 0.000 0.931 19 K CB -0.309 32.196 32.500 0.009 0.000 0.714 19 K HN 0.307 nan 8.250 nan 0.000 0.440 20 A N 2.187 125.075 122.820 0.114 0.000 1.978 20 A HA -0.252 4.068 4.320 0.000 0.000 0.220 20 A C 2.075 179.754 177.584 0.158 0.000 1.170 20 A CA 1.990 54.134 52.037 0.179 0.000 0.636 20 A CB -0.487 18.543 19.000 0.050 0.000 0.810 20 A HN 0.573 nan 8.150 nan 0.000 0.448 21 E N -1.110 119.134 120.200 0.072 0.000 2.014 21 E HA -0.237 4.113 4.350 0.000 0.000 0.190 21 E C 2.091 178.730 176.600 0.065 0.000 0.980 21 E CA 0.840 57.260 56.400 0.035 0.000 0.807 21 E CB -0.719 28.983 29.700 0.003 0.000 0.770 21 E HN 0.465 nan 8.360 nan 0.000 0.451 22 Q N 0.009 119.857 119.800 0.080 0.000 2.268 22 Q HA -0.261 4.079 4.340 0.000 0.000 0.213 22 Q C 1.871 177.961 176.000 0.149 0.000 0.995 22 Q CA 2.002 57.859 55.803 0.091 0.000 0.901 22 Q CB -0.298 28.495 28.738 0.092 0.000 0.921 22 Q HN 0.474 nan 8.270 nan 0.000 0.421 23 F N 0.684 120.669 119.950 0.060 0.000 2.094 23 F HA -0.112 4.415 4.527 0.000 0.000 0.291 23 F C 2.104 177.955 175.800 0.086 0.000 1.109 23 F CA 0.958 59.016 58.000 0.096 0.000 1.221 23 F CB -0.591 38.497 39.000 0.148 0.000 1.014 23 F HN -0.001 nan 8.300 nan 0.000 0.473 24 I N 1.478 121.806 120.570 -0.403 0.000 2.423 24 I HA -0.287 3.884 4.170 0.000 0.000 0.254 24 I C 2.234 178.149 176.117 -0.337 0.000 1.151 24 I CA 0.865 61.861 61.300 -0.508 0.000 1.421 24 I CB -1.123 36.754 38.000 -0.205 0.000 1.079 24 I HN 0.212 nan 8.210 nan 0.000 0.431 25 I N 1.440 121.894 120.570 -0.194 0.000 2.086 25 I HA -0.186 3.985 4.170 0.000 0.000 0.233 25 I C 2.899 178.940 176.117 -0.127 0.000 1.060 25 I CA 1.708 62.933 61.300 -0.124 0.000 1.326 25 I CB -2.015 35.950 38.000 -0.060 0.000 1.067 25 I HN 0.097 nan 8.210 nan 0.000 0.398 26 A N 0.426 123.199 122.820 -0.078 0.000 1.940 26 A HA -0.227 4.093 4.320 0.000 0.000 0.219 26 A C 2.652 180.191 177.584 -0.075 0.000 1.176 26 A CA 2.373 54.390 52.037 -0.033 0.000 0.631 26 A CB -0.991 18.039 19.000 0.050 0.000 0.814 26 A HN 0.502 nan 8.150 nan 0.000 0.446 27 S N -2.012 113.565 115.700 -0.205 0.000 2.353 27 S HA -0.206 4.264 4.470 0.000 0.000 0.222 27 S C 2.096 176.501 174.600 -0.324 0.000 1.035 27 S CA 2.177 60.188 58.200 -0.314 0.000 1.025 27 S CB -0.717 61.895 63.200 -0.980 0.000 0.902 27 S HN 0.991 nan 8.310 nan 0.000 0.440 28 Y N 1.487 121.604 120.300 -0.305 0.000 2.263 28 Y HA 0.096 4.647 4.550 0.000 0.000 0.292 28 Y C 2.366 178.155 175.900 -0.186 0.000 1.130 28 Y CA 1.452 59.406 58.100 -0.243 0.000 1.179 28 Y CB -1.046 37.295 38.460 -0.198 0.000 0.998 28 Y HN 0.363 nan 8.280 nan 0.000 0.532 29 R N 0.028 120.443 120.500 -0.142 0.000 2.154 29 R HA -0.260 4.080 4.340 0.000 0.000 0.236 29 R C 2.077 178.325 176.300 -0.088 0.000 1.121 29 R CA 2.256 58.301 56.100 -0.091 0.000 0.915 29 R CB -0.707 29.559 30.300 -0.057 0.000 0.856 29 R HN 0.780 nan 8.270 nan 0.000 0.431 30 E N 0.791 120.941 120.200 -0.084 0.000 2.021 30 E HA -0.230 4.120 4.350 0.000 0.000 0.200 30 E C 2.104 178.640 176.600 -0.108 0.000 1.015 30 E CA 1.264 57.635 56.400 -0.050 0.000 0.824 30 E CB -0.363 29.360 29.700 0.039 0.000 0.762 30 E HN 0.269 nan 8.360 nan 0.000 0.454 31 L N 0.103 121.146 121.223 -0.301 0.000 2.357 31 L HA -0.158 4.182 4.340 0.000 0.000 0.220 31 L C 0.651 177.443 176.870 -0.130 0.000 1.123 31 L CA 0.987 55.655 54.840 -0.287 0.000 0.782 31 L CB -0.513 41.291 42.059 -0.425 0.000 0.910 31 L HN 0.477 nan 8.230 nan 0.000 0.442 32 G N 0.339 109.073 108.800 -0.110 0.000 2.643 32 G HA2 -0.239 3.722 3.960 0.000 0.000 0.280 32 G HA3 -0.239 3.722 3.960 0.000 0.000 0.280 32 G C 0.181 175.042 174.900 -0.065 0.000 1.120 32 G CA 0.487 45.547 45.100 -0.066 0.000 1.165 32 G HN 0.544 nan 8.290 nan 0.000 0.540 33 K N -1.141 119.212 120.400 -0.078 0.000 3.064 33 K HA 0.858 5.178 4.320 0.000 0.000 0.289 33 K C 0.329 176.896 176.600 -0.056 0.000 0.975 33 K CA 0.047 56.294 56.287 -0.067 0.000 1.380 33 K CB 0.696 33.147 32.500 -0.082 0.000 3.395 33 K HN 1.078 nan 8.250 nan 0.000 1.073 34 S N -1.036 114.629 115.700 -0.058 0.000 2.626 34 S HA 0.350 4.821 4.470 0.000 0.000 0.275 34 S C 0.665 175.235 174.600 -0.050 0.000 1.175 34 S CA -0.162 58.009 58.200 -0.048 0.000 0.982 34 S CB 1.318 64.496 63.200 -0.036 0.000 1.093 34 S HN 0.667 nan 8.310 nan 0.000 0.472 35 E N 1.503 121.674 120.200 -0.048 0.000 2.276 35 E HA -0.232 4.118 4.350 0.000 0.000 0.226 35 E C 1.346 177.920 176.600 -0.044 0.000 1.090 35 E CA 2.600 58.972 56.400 -0.047 0.000 0.930 35 E CB -1.939 27.738 29.700 -0.038 0.000 0.791 35 E HN 1.759 nan 8.360 nan 0.000 0.467 36 Q N -0.099 119.679 119.800 -0.037 0.000 2.371 36 Q HA 0.460 4.800 4.340 0.000 0.000 0.254 36 Q C 0.971 176.949 176.000 -0.038 0.000 1.264 36 Q CA 1.952 57.736 55.803 -0.032 0.000 0.904 36 Q CB -1.524 27.199 28.738 -0.026 0.000 1.507 36 Q HN 1.789 nan 8.270 nan 0.000 0.495 37 E N -0.635 119.539 120.200 -0.042 0.000 1.910 37 E HA 0.012 4.363 4.350 0.000 0.000 0.257 37 E C 1.934 178.499 176.600 -0.058 0.000 1.040 37 E CA 1.407 57.778 56.400 -0.048 0.000 1.879 37 E CB -1.723 27.944 29.700 -0.055 0.000 3.543 37 E HN 1.924 nan 8.360 nan 0.000 0.985 38 I N 2.154 122.681 120.570 -0.071 0.000 2.182 38 I HA -0.183 3.987 4.170 0.000 0.000 0.248 38 I C 2.577 178.655 176.117 -0.065 0.000 1.073 38 I CA 3.753 65.004 61.300 -0.082 0.000 1.335 38 I CB -1.447 36.501 38.000 -0.087 0.000 1.031 38 I HN 0.657 nan 8.210 nan 0.000 0.420 39 K N 0.107 120.475 120.400 -0.053 0.000 2.026 39 K HA -0.180 4.140 4.320 0.000 0.000 0.208 39 K C 2.586 179.161 176.600 -0.041 0.000 1.048 39 K CA 2.085 58.346 56.287 -0.044 0.000 0.929 39 K CB -0.230 32.248 32.500 -0.037 0.000 0.713 39 K HN 0.622 nan 8.250 nan 0.000 0.439 40 R N 1.352 121.829 120.500 -0.040 0.000 2.140 40 R HA 0.009 4.350 4.340 0.000 0.000 0.213 40 R C 1.987 178.265 176.300 -0.036 0.000 1.059 40 R CA 1.232 57.312 56.100 -0.034 0.000 1.000 40 R CB -0.745 29.538 30.300 -0.027 0.000 0.910 40 R HN 0.533 nan 8.270 nan 0.000 0.455 41 R N -0.553 119.921 120.500 -0.043 0.000 2.334 41 R HA 0.272 4.612 4.340 0.000 0.000 0.216 41 R C 0.918 177.183 176.300 -0.058 0.000 0.905 41 R CA 0.465 56.540 56.100 -0.041 0.000 1.064 41 R CB -0.087 30.191 30.300 -0.037 0.000 1.046 41 R HN 0.110 nan 8.270 nan 0.000 0.508 42 V N 1.430 121.304 119.914 -0.067 0.000 3.608 42 V HA -0.015 4.106 4.120 0.000 0.000 0.269 42 V C 0.539 176.577 176.094 -0.093 0.000 1.245 42 V CA 0.781 63.029 62.300 -0.087 0.000 1.138 42 V CB -0.109 31.670 31.823 -0.073 0.000 0.841 42 V HN 0.392 nan 8.190 nan 0.000 0.451 43 N N 1.319 119.977 118.700 -0.070 0.000 2.220 43 N HA -0.131 4.609 4.740 0.000 0.000 0.182 43 N C 1.747 177.219 175.510 -0.063 0.000 1.023 43 N CA 1.185 54.199 53.050 -0.060 0.000 0.856 43 N CB -0.408 38.054 38.487 -0.041 0.000 0.997 43 N HN 0.699 nan 8.380 nan 0.000 0.429 44 E N 0.755 120.922 120.200 -0.055 0.000 2.401 44 E HA -0.104 4.246 4.350 0.000 0.000 0.199 44 E C 1.566 178.124 176.600 -0.069 0.000 1.023 44 E CA 1.137 57.513 56.400 -0.041 0.000 0.859 44 E CB -0.426 29.265 29.700 -0.016 0.000 0.780 44 E HN 0.413 nan 8.360 nan 0.000 0.523 45 I N 0.480 120.963 120.570 -0.144 0.000 3.578 45 I HA 0.294 4.464 4.170 0.000 0.000 0.295 45 I C 2.504 178.505 176.117 -0.194 0.000 1.280 45 I CA 1.251 62.384 61.300 -0.279 0.000 1.347 45 I CB -1.402 36.261 38.000 -0.562 0.000 1.051 45 I HN 0.430 nan 8.210 nan 0.000 0.460 46 R N -0.945 119.486 120.500 -0.115 0.000 2.112 46 R HA 0.098 4.439 4.340 0.000 0.000 0.216 46 R C 2.369 178.643 176.300 -0.044 0.000 1.080 46 R CA 1.886 57.941 56.100 -0.074 0.000 0.996 46 R CB -1.721 28.544 30.300 -0.058 0.000 0.902 46 R HN 1.382 nan 8.270 nan 0.000 0.449 47 W N 0.734 122.013 121.300 -0.035 0.000 2.481 47 W HA 0.174 4.834 4.660 0.000 0.000 0.293 47 W C 1.883 178.400 176.519 -0.003 0.000 1.201 47 W CA 0.824 58.160 57.345 -0.015 0.000 1.328 47 W CB -0.230 29.223 29.460 -0.011 0.000 1.112 47 W HN 0.544 nan 8.180 nan 0.000 0.546 48 E N -0.048 120.152 120.200 0.000 0.000 2.463 48 E HA -0.091 4.260 4.350 0.000 0.000 0.201 48 E C 1.881 178.506 176.600 0.043 0.000 1.045 48 E CA 1.327 57.746 56.400 0.031 0.000 0.872 48 E CB -0.023 29.714 29.700 0.061 0.000 0.797 48 E HN 0.357 nan 8.360 nan 0.000 0.538 49 V N 0.123 120.049 119.914 0.019 0.000 3.565 49 V HA -0.010 4.110 4.120 0.000 0.000 0.260 49 V C 1.622 177.725 176.094 0.016 0.000 1.231 49 V CA 1.087 63.404 62.300 0.028 0.000 1.100 49 V CB 0.547 32.377 31.823 0.012 0.000 0.807 49 V HN 0.170 nan 8.190 nan 0.000 0.454 50 E N -0.816 119.389 120.200 0.008 0.000 2.400 50 E HA -0.036 4.314 4.350 0.000 0.000 0.195 50 E C 1.942 178.548 176.600 0.010 0.000 1.012 50 E CA 0.803 57.206 56.400 0.006 0.000 0.875 50 E CB 0.160 29.860 29.700 -0.000 0.000 0.859 50 E HN 0.512 nan 8.360 nan 0.000 0.498 51 Q N -0.528 119.281 119.800 0.014 0.000 2.252 51 Q HA 0.077 4.418 4.340 0.000 0.000 0.195 51 Q C 2.193 178.204 176.000 0.018 0.000 0.974 51 Q CA 2.051 57.863 55.803 0.015 0.000 0.846 51 Q CB -0.587 28.161 28.738 0.017 0.000 0.943 51 Q HN 0.460 nan 8.270 nan 0.000 0.516 52 T N -2.443 112.126 114.554 0.024 0.000 2.815 52 T HA 0.255 4.605 4.350 0.000 0.000 0.244 52 T C 1.293 176.006 174.700 0.021 0.000 1.040 52 T CA 1.263 63.377 62.100 0.023 0.000 1.176 52 T CB -0.085 68.801 68.868 0.030 0.000 0.880 52 T HN 0.398 nan 8.240 nan 0.000 0.414 53 G N -0.364 108.453 108.800 0.027 0.000 3.136 53 G HA2 0.479 4.439 3.960 0.000 0.000 0.221 53 G HA3 0.479 4.439 3.960 0.000 0.000 0.221 53 G C 0.263 175.179 174.900 0.026 0.000 0.961 53 G CA 0.451 45.565 45.100 0.023 0.000 0.983 53 G HN 1.179 nan 8.290 nan 0.000 0.648 54 T N -1.052 113.538 114.554 0.059 0.000 2.652 54 T HA 0.806 5.156 4.350 0.000 0.000 0.253 54 T C -0.515 174.328 174.700 0.239 0.000 2.017 54 T CA 0.555 62.718 62.100 0.104 0.000 0.928 54 T CB 0.711 69.566 68.868 -0.021 0.000 2.235 54 T HN 1.851 nan 8.240 nan 0.000 0.379 55 Y N -0.835 119.430 120.300 -0.057 0.000 2.965 55 Y HA 0.758 5.308 4.550 0.000 0.000 0.341 55 Y C -1.274 174.608 175.900 -0.030 0.000 1.443 55 Y CA -1.052 57.031 58.100 -0.029 0.000 1.101 55 Y CB 0.240 38.694 38.460 -0.011 0.000 1.969 55 Y HN 1.156 nan 8.280 nan 0.000 0.419 56 R N 0.106 120.593 120.500 -0.021 0.000 2.673 56 R HA 0.545 4.886 4.340 0.000 0.000 0.281 56 R C -1.550 174.814 176.300 0.107 0.000 0.991 56 R CA -0.632 55.414 56.100 -0.089 0.000 0.896 56 R CB 1.220 31.542 30.300 0.036 0.000 1.201 56 R HN 0.905 nan 8.270 nan 0.000 0.457 57 H N 0.236 119.295 119.070 -0.017 0.000 2.307 57 H HA 0.318 4.875 4.556 0.000 0.000 0.349 57 H C -0.029 175.350 175.328 0.084 0.000 1.754 57 H CA 0.271 56.381 56.048 0.103 0.000 1.431 57 H CB 1.122 30.950 29.762 0.109 0.000 1.666 57 H HN 0.830 nan 8.280 nan 0.000 0.582 58 T N -1.702 112.918 114.554 0.110 0.000 2.924 58 T HA 0.071 4.421 4.350 0.000 0.000 0.291 58 T C 0.888 175.509 174.700 -0.132 0.000 1.045 58 T CA -0.720 61.341 62.100 -0.065 0.000 1.015 58 T CB 0.727 69.452 68.868 -0.238 0.000 1.103 58 T HN 0.671 nan 8.240 nan 0.000 0.496 59 Y N 0.416 120.729 120.300 0.021 0.000 2.193 59 Y HA -0.095 4.456 4.550 0.001 0.000 0.285 59 Y C 2.174 178.069 175.900 -0.008 0.000 1.166 59 Y CA 1.735 59.833 58.100 -0.004 0.000 1.181 59 Y CB -0.651 37.805 38.460 -0.006 0.000 0.976 59 Y HN 0.818 nan 8.280 nan 0.000 0.520 60 E N 0.447 120.220 120.200 -0.712 0.000 2.152 60 E HA -0.174 4.176 4.350 0.000 0.000 0.192 60 E C 1.747 178.251 176.600 -0.161 0.000 0.983 60 E CA 1.150 57.338 56.400 -0.353 0.000 0.818 60 E CB 0.017 29.379 29.700 -0.562 0.000 0.758 60 E HN 0.773 nan 8.360 nan 0.000 0.467 61 E N 0.620 120.671 120.200 -0.249 0.000 2.021 61 E HA -0.139 4.211 4.350 0.000 0.000 0.189 61 E C 2.366 178.854 176.600 -0.185 0.000 0.980 61 E CA 1.244 57.481 56.400 -0.272 0.000 0.803 61 E CB -0.185 29.151 29.700 -0.606 0.000 0.766 61 E HN 0.354 nan 8.360 nan 0.000 0.449 62 L N -0.260 120.859 121.223 -0.173 0.000 2.201 62 L HA -0.007 4.333 4.340 0.000 0.000 0.212 62 L C 2.405 179.294 176.870 0.031 0.000 1.105 62 L CA 1.221 56.095 54.840 0.056 0.000 0.775 62 L CB -0.422 41.712 42.059 0.124 0.000 0.913 62 L HN 0.035 nan 8.230 nan 0.000 0.440 63 S N 0.267 115.990 115.700 0.038 0.000 2.404 63 S HA -0.315 4.155 4.470 0.000 0.000 0.216 63 S C 2.051 176.720 174.600 0.115 0.000 1.039 63 S CA 1.565 59.799 58.200 0.056 0.000 1.062 63 S CB -0.877 62.379 63.200 0.092 0.000 1.046 63 S HN 0.626 nan 8.310 nan 0.000 0.415 64 Y N 1.964 122.306 120.300 0.070 0.000 2.081 64 Y HA -0.085 4.465 4.550 0.000 0.000 0.280 64 Y C 2.566 178.569 175.900 0.171 0.000 1.163 64 Y CA 1.933 60.113 58.100 0.133 0.000 1.135 64 Y CB -1.128 37.402 38.460 0.117 0.000 0.970 64 Y HN 0.424 nan 8.280 nan 0.000 0.498 65 G N -0.866 108.158 108.800 0.373 0.000 2.499 65 G HA2 -0.262 3.699 3.960 0.000 0.000 0.221 65 G HA3 -0.262 3.699 3.960 0.000 0.000 0.221 65 G C 1.653 176.591 174.900 0.063 0.000 1.109 65 G CA 0.957 46.241 45.100 0.305 0.000 0.749 65 G HN 0.616 nan 8.290 nan 0.000 0.568 66 A N 0.789 123.630 122.820 0.034 0.000 1.903 66 A HA 0.169 4.490 4.320 0.000 0.000 0.213 66 A C 2.264 179.880 177.584 0.052 0.000 1.185 66 A CA 1.437 53.463 52.037 -0.018 0.000 0.628 66 A CB -0.152 18.842 19.000 -0.010 0.000 0.830 66 A HN 0.350 nan 8.150 nan 0.000 0.446 67 K N -0.504 119.938 120.400 0.070 0.000 2.209 67 K HA -0.016 4.304 4.320 0.000 0.000 0.204 67 K C 1.947 178.591 176.600 0.072 0.000 1.048 67 K CA 1.287 57.674 56.287 0.167 0.000 0.940 67 K CB -0.268 32.260 32.500 0.047 0.000 0.729 67 K HN 0.454 nan 8.250 nan 0.000 0.451 68 M N 0.585 120.103 119.600 -0.137 0.000 2.099 68 M HA -0.137 4.344 4.480 0.000 0.000 0.262 68 M C 2.501 178.475 176.300 -0.543 0.000 1.067 68 M CA 1.465 56.508 55.300 -0.428 0.000 1.124 68 M CB -0.381 32.096 32.600 -0.205 0.000 1.353 68 M HN 0.249 nan 8.290 nan 0.000 0.410 69 A N 0.098 122.778 122.820 -0.233 0.000 1.892 69 A HA -0.252 4.068 4.320 0.000 0.000 0.218 69 A C 1.858 179.493 177.584 0.086 0.000 1.188 69 A CA 1.785 53.726 52.037 -0.161 0.000 0.631 69 A CB -1.357 17.377 19.000 -0.443 0.000 0.822 69 A HN 0.766 nan 8.150 nan 0.000 0.447 70 W N 0.772 122.062 121.300 -0.016 0.000 2.333 70 W HA -0.169 4.491 4.660 0.000 0.000 0.316 70 W C 2.402 178.855 176.519 -0.109 0.000 1.215 70 W CA 1.772 59.105 57.345 -0.020 0.000 1.278 70 W CB -0.898 28.550 29.460 -0.021 0.000 1.154 70 W HN 0.376 nan 8.180 nan 0.000 0.486 71 R N -0.888 119.518 120.500 -0.158 0.000 2.139 71 R HA -0.211 4.129 4.340 0.000 0.000 0.243 71 R C 1.837 178.104 176.300 -0.055 0.000 1.145 71 R CA 1.813 57.665 56.100 -0.413 0.000 0.976 71 R CB -0.675 29.070 30.300 -0.924 0.000 0.866 71 R HN 0.182 nan 8.270 nan 0.000 0.449 72 H N -0.645 118.394 119.070 -0.052 0.000 2.533 72 H HA 0.177 4.734 4.556 0.001 0.000 0.271 72 H C -0.014 175.306 175.328 -0.013 0.000 1.000 72 H CA -0.056 55.979 56.048 -0.021 0.000 1.149 72 H CB 0.178 29.917 29.762 -0.040 0.000 1.375 72 H HN -0.039 nan 8.280 nan 0.000 0.582 73 S N 2.040 117.815 115.700 0.124 0.000 2.429 73 S HA 0.002 4.472 4.470 0.000 0.000 0.292 73 S C 1.299 175.909 174.600 0.018 0.000 1.183 73 S CA -0.381 57.843 58.200 0.040 0.000 1.088 73 S CB 0.313 63.549 63.200 0.060 0.000 1.018 73 S HN 0.400 nan 8.310 nan 0.000 0.511 74 N N 3.146 121.827 118.700 -0.031 0.000 2.381 74 N HA -0.040 4.700 4.740 0.000 0.000 0.182 74 N C 0.993 176.464 175.510 -0.064 0.000 1.025 74 N CA 0.781 53.823 53.050 -0.013 0.000 0.888 74 N CB 0.102 38.573 38.487 -0.025 0.000 0.965 74 N HN 0.540 nan 8.380 nan 0.000 0.438 75 R N -0.753 119.669 120.500 -0.129 0.000 2.466 75 R HA 0.228 4.568 4.340 0.000 0.000 0.279 75 R C -0.271 175.994 176.300 -0.057 0.000 0.976 75 R CA -0.144 55.892 56.100 -0.107 0.000 1.081 75 R CB 0.194 30.285 30.300 -0.348 0.000 1.215 75 R HN 0.000 nan 8.270 nan 0.000 0.546 76 C N 0.707 119.945 119.300 -0.103 0.000 2.301 76 C HA 0.366 4.826 4.460 0.000 0.000 0.323 76 C C 1.638 176.481 174.990 -0.245 0.000 1.265 76 C CA -0.911 58.050 59.018 -0.094 0.000 1.503 76 C CB -0.083 27.669 27.740 0.019 0.000 2.195 76 C HN 0.639 nan 8.230 nan 0.000 0.477 77 I N 4.114 124.505 120.570 -0.298 0.000 3.111 77 I HA 0.164 4.335 4.170 0.000 0.000 0.272 77 I C 1.520 177.623 176.117 -0.023 0.000 1.268 77 I CA 1.099 62.135 61.300 -0.440 0.000 1.467 77 I CB 0.090 37.935 38.000 -0.258 0.000 1.087 77 I HN 0.907 nan 8.210 nan 0.000 0.467 78 G N 0.795 109.648 108.800 0.088 0.000 4.294 78 G HA2 0.200 4.160 3.960 0.000 0.000 0.301 78 G HA3 0.200 4.160 3.960 0.000 0.000 0.301 78 G C 0.824 175.859 174.900 0.226 0.000 1.321 78 G CA -0.449 44.805 45.100 0.256 0.000 1.190 78 G HN 0.271 nan 8.290 nan 0.000 0.600 79 R N -0.263 120.147 120.500 -0.150 0.000 2.317 79 R HA 0.147 4.487 4.340 0.000 0.000 0.208 79 R C 1.813 177.595 176.300 -0.862 0.000 0.914 79 R CA -0.331 55.258 56.100 -0.851 0.000 1.060 79 R CB 0.173 29.620 30.300 -1.421 0.000 1.015 79 R HN 0.375 nan 8.270 nan 0.000 0.498 80 L N 0.101 121.098 121.223 -0.376 0.000 2.456 80 L HA -0.016 4.324 4.340 0.000 0.000 0.224 80 L C 0.304 176.779 176.870 -0.658 0.000 1.148 80 L CA 1.652 56.272 54.840 -0.368 0.000 0.825 80 L CB 0.107 41.865 42.059 -0.502 0.000 0.937 80 L HN 0.022 nan 8.230 nan 0.000 0.450 81 F N -1.932 117.835 119.950 -0.304 0.000 2.791 81 F HA 0.126 4.653 4.527 0.001 0.000 0.316 81 F C 1.358 176.601 175.800 -0.927 0.000 1.134 81 F CA -0.764 56.999 58.000 -0.396 0.000 1.222 81 F CB -0.583 38.360 39.000 -0.095 0.000 1.034 81 F HN 0.168 nan 8.300 nan 0.000 0.516 82 W N 1.385 121.969 121.300 -1.193 0.000 2.304 82 W HA -0.263 4.397 4.660 0.001 0.000 0.315 82 W C 0.775 176.978 176.519 -0.527 0.000 1.233 82 W CA 1.568 58.020 57.345 -1.490 0.000 1.261 82 W CB -1.270 27.558 29.460 -1.053 0.000 1.150 82 W HN 0.228 nan 8.180 nan 0.000 0.494 83 Q N 2.131 120.978 119.800 -1.588 0.000 2.362 83 Q HA 0.040 4.381 4.340 0.000 0.000 0.215 83 Q C 0.827 176.534 176.000 -0.489 0.000 0.944 83 Q CA 1.097 56.149 55.803 -1.252 0.000 0.964 83 Q CB -1.047 26.644 28.738 -1.746 0.000 0.998 83 Q HN 0.367 nan 8.270 nan 0.000 0.488 84 S N -1.534 114.035 115.700 -0.218 0.000 3.009 84 S HA 0.219 4.689 4.470 0.000 0.000 0.254 84 S C -0.171 174.509 174.600 0.134 0.000 1.004 84 S CA -0.786 57.410 58.200 -0.007 0.000 1.119 84 S CB -0.141 63.099 63.200 0.068 0.000 1.075 84 S HN 0.302 nan 8.310 nan 0.000 0.618 85 L N 3.674 125.018 121.223 0.202 0.000 2.485 85 L HA 0.432 4.773 4.340 0.000 0.000 0.279 85 L C -0.033 176.912 176.870 0.125 0.000 1.124 85 L CA 0.043 55.040 54.840 0.261 0.000 0.888 85 L CB -0.957 41.335 42.059 0.389 0.000 1.217 85 L HN 0.449 nan 8.230 nan 0.000 0.464 86 H N 3.742 122.812 119.070 0.000 0.000 3.191 86 H HA 0.259 4.816 4.556 0.001 0.000 0.261 86 H C -0.241 175.036 175.328 -0.086 0.000 1.013 86 H CA 0.121 56.142 56.048 -0.045 0.000 1.457 86 H CB 0.069 29.788 29.762 -0.073 0.000 1.535 86 H HN 0.551 nan 8.280 nan 0.000 0.518 87 V N 6.352 126.072 119.914 -0.323 0.000 3.336 87 V HA 0.196 4.317 4.120 0.000 0.000 0.304 87 V C 0.657 176.483 176.094 -0.447 0.000 1.073 87 V CA -0.422 61.704 62.300 -0.289 0.000 1.074 87 V CB 1.164 32.884 31.823 -0.173 0.000 1.161 87 V HN 0.735 nan 8.190 nan 0.000 0.460 88 I N 1.145 121.505 120.570 -0.349 0.000 2.622 88 I HA 0.204 4.374 4.170 0.000 0.000 0.283 88 I C -0.980 174.915 176.117 -0.371 0.000 1.202 88 I CA -0.404 60.682 61.300 -0.356 0.000 1.075 88 I CB 1.738 39.503 38.000 -0.390 0.000 1.274 88 I HN 0.580 nan 8.210 nan 0.000 0.450 89 D N 4.990 125.217 120.400 -0.290 0.000 2.372 89 D HA 0.520 5.160 4.640 0.000 0.000 0.243 89 D C 0.190 176.232 176.300 -0.430 0.000 1.121 89 D CA 0.389 54.221 54.000 -0.281 0.000 0.898 89 D CB 1.765 42.486 40.800 -0.131 0.000 1.202 89 D HN 0.716 nan 8.370 nan 0.000 0.428 90 A N 3.504 126.057 122.820 -0.444 0.000 2.861 90 A HA 0.084 4.405 4.320 0.000 0.000 0.195 90 A C 0.768 178.212 177.584 -0.232 0.000 1.370 90 A CA -0.400 51.320 52.037 -0.529 0.000 1.377 90 A CB -0.185 18.050 19.000 -1.274 0.000 1.144 90 A HN 0.561 nan 8.150 nan 0.000 0.628 91 R N 0.269 120.711 120.500 -0.096 0.000 2.319 91 R HA 0.132 4.472 4.340 0.000 0.000 0.204 91 R C 0.339 176.687 176.300 0.081 0.000 0.954 91 R CA 0.342 56.460 56.100 0.030 0.000 1.066 91 R CB 0.321 30.651 30.300 0.049 0.000 0.991 91 R HN 0.259 nan 8.270 nan 0.000 0.486 92 E N 0.564 120.820 120.200 0.094 0.000 2.548 92 E HA 0.200 4.550 4.350 0.000 0.000 0.206 92 E C -0.479 176.218 176.600 0.162 0.000 1.005 92 E CA -0.134 56.336 56.400 0.118 0.000 0.951 92 E CB 1.109 30.872 29.700 0.106 0.000 1.035 92 E HN 0.218 nan 8.360 nan 0.000 0.470 93 A N 0.507 123.463 122.820 0.226 0.000 2.301 93 A HA 0.455 4.775 4.320 0.000 0.000 0.312 93 A C 0.551 178.237 177.584 0.170 0.000 1.182 93 A CA -0.327 51.863 52.037 0.255 0.000 0.826 93 A CB 1.400 20.677 19.000 0.463 0.000 1.134 93 A HN 0.041 nan 8.150 nan 0.000 0.501 94 V N 2.017 121.991 119.914 0.100 0.000 3.509 94 V HA 0.182 4.302 4.120 0.000 0.000 0.286 94 V C 0.312 176.416 176.094 0.016 0.000 1.618 94 V CA 1.104 63.437 62.300 0.054 0.000 1.088 94 V CB -0.035 31.817 31.823 0.048 0.000 0.909 94 V HN 1.187 nan 8.190 nan 0.000 0.429 95 T N -3.074 111.488 114.554 0.012 0.000 2.888 95 T HA 0.497 4.847 4.350 0.000 0.000 0.284 95 T C 0.757 175.427 174.700 -0.050 0.000 1.017 95 T CA -0.149 61.944 62.100 -0.013 0.000 1.022 95 T CB 1.943 70.810 68.868 -0.002 0.000 1.013 95 T HN 0.300 nan 8.240 nan 0.000 0.465 96 E N 1.262 121.421 120.200 -0.068 0.000 2.077 96 E HA -0.182 4.168 4.350 0.000 0.000 0.193 96 E C 1.734 178.309 176.600 -0.042 0.000 0.989 96 E CA 1.494 57.812 56.400 -0.137 0.000 0.800 96 E CB -0.053 29.605 29.700 -0.069 0.000 0.746 96 E HN 0.815 nan 8.360 nan 0.000 0.452 97 E N 0.886 121.122 120.200 0.059 0.000 2.153 97 E HA -0.192 4.158 4.350 0.000 0.000 0.194 97 E C 1.902 178.533 176.600 0.050 0.000 0.988 97 E CA 0.992 57.460 56.400 0.114 0.000 0.811 97 E CB 0.023 29.752 29.700 0.049 0.000 0.746 97 E HN 0.257 nan 8.360 nan 0.000 0.466 98 E N 0.048 120.245 120.200 -0.005 0.000 2.028 98 E HA -0.132 4.219 4.350 0.000 0.000 0.190 98 E C 2.008 178.613 176.600 0.009 0.000 0.984 98 E CA 0.995 57.374 56.400 -0.035 0.000 0.800 98 E CB 0.158 29.854 29.700 -0.006 0.000 0.758 98 E HN 0.031 nan 8.360 nan 0.000 0.448 99 V N 1.002 120.916 119.914 -0.001 0.000 2.546 99 V HA -0.261 3.859 4.120 0.000 0.000 0.254 99 V C 1.866 177.889 176.094 -0.118 0.000 1.076 99 V CA 1.482 63.766 62.300 -0.027 0.000 1.087 99 V CB -0.573 31.027 31.823 -0.371 0.000 0.674 99 V HN 0.242 nan 8.190 nan 0.000 0.470 100 F N 1.329 121.185 119.950 -0.157 0.000 2.149 100 F HA -0.094 4.433 4.527 0.000 0.000 0.294 100 F C 2.776 178.221 175.800 -0.592 0.000 1.095 100 F CA 1.380 59.131 58.000 -0.415 0.000 1.276 100 F CB -0.968 37.743 39.000 -0.481 0.000 1.023 100 F HN 0.239 nan 8.300 nan 0.000 0.480 101 S N -1.043 114.579 115.700 -0.130 0.000 2.399 101 S HA -0.233 4.237 4.470 0.000 0.000 0.231 101 S C 1.937 176.628 174.600 0.153 0.000 1.022 101 S CA 1.005 59.190 58.200 -0.026 0.000 0.983 101 S CB -1.111 62.070 63.200 -0.032 0.000 0.803 101 S HN 0.283 nan 8.310 nan 0.000 0.480 102 Y N 2.171 122.565 120.300 0.158 0.000 2.200 102 Y HA 0.146 4.696 4.550 0.000 0.000 0.290 102 Y C 2.258 178.336 175.900 0.298 0.000 1.137 102 Y CA 0.079 58.328 58.100 0.247 0.000 1.163 102 Y CB -0.725 37.888 38.460 0.255 0.000 0.988 102 Y HN 0.214 nan 8.280 nan 0.000 0.518 103 L N -1.935 119.532 121.223 0.407 0.000 2.017 103 L HA -0.261 4.079 4.340 0.000 0.000 0.208 103 L C 2.237 179.367 176.870 0.434 0.000 1.073 103 L CA 1.183 56.221 54.840 0.330 0.000 0.745 103 L CB -0.801 41.361 42.059 0.171 0.000 0.894 103 L HN 0.111 nan 8.230 nan 0.000 0.432 104 F N -0.384 119.728 119.950 0.271 0.000 2.171 104 F HA -0.215 4.312 4.527 0.000 0.000 0.300 104 F C 2.562 178.516 175.800 0.257 0.000 1.090 104 F CA 1.251 59.374 58.000 0.205 0.000 1.293 104 F CB -1.285 37.809 39.000 0.155 0.000 1.013 104 F HN 0.242 nan 8.300 nan 0.000 0.486 105 H N -1.351 117.950 119.070 0.385 0.000 2.256 105 H HA -0.230 4.326 4.556 0.001 0.000 0.299 105 H C 2.520 178.005 175.328 0.261 0.000 1.071 105 H CA 1.690 57.906 56.048 0.280 0.000 1.280 105 H CB -0.324 29.617 29.762 0.299 0.000 1.370 105 H HN 0.047 nan 8.280 nan 0.000 0.490 106 H N 1.092 120.254 119.070 0.154 0.000 2.368 106 H HA -0.190 4.366 4.556 0.000 0.000 0.292 106 H C 2.398 177.745 175.328 0.032 0.000 1.117 106 H CA 2.174 58.222 56.048 0.001 0.000 1.231 106 H CB -0.379 29.402 29.762 0.032 0.000 1.359 106 H HN 0.450 nan 8.280 nan 0.000 0.490 107 I N 0.285 121.029 120.570 0.290 0.000 2.113 107 I HA -0.244 3.926 4.170 0.000 0.000 0.238 107 I C 2.629 178.833 176.117 0.145 0.000 1.070 107 I CA 1.441 62.841 61.300 0.168 0.000 1.332 107 I CB -0.513 37.564 38.000 0.129 0.000 1.044 107 I HN 0.271 nan 8.210 nan 0.000 0.402 108 E N 0.568 120.867 120.200 0.165 0.000 2.033 108 E HA -0.263 4.087 4.350 0.000 0.000 0.199 108 E C 2.298 178.965 176.600 0.113 0.000 1.011 108 E CA 1.812 58.291 56.400 0.133 0.000 0.815 108 E CB -0.326 29.471 29.700 0.163 0.000 0.755 108 E HN 0.323 nan 8.360 nan 0.000 0.451 109 V N 1.049 121.035 119.914 0.120 0.000 2.287 109 V HA -0.300 3.820 4.120 0.000 0.000 0.248 109 V C 2.168 178.261 176.094 -0.001 0.000 1.053 109 V CA 2.341 64.655 62.300 0.023 0.000 1.027 109 V CB -0.488 31.256 31.823 -0.131 0.000 0.646 109 V HN 0.367 nan 8.190 nan 0.000 0.447 110 A N -0.616 122.227 122.820 0.038 0.000 1.858 110 A HA -0.223 4.098 4.320 0.000 0.000 0.216 110 A C 2.353 179.976 177.584 0.066 0.000 1.190 110 A CA 2.801 54.878 52.037 0.066 0.000 0.617 110 A CB -1.395 17.715 19.000 0.184 0.000 0.827 110 A HN 0.581 nan 8.150 nan 0.000 0.443 111 T N 0.090 114.689 114.554 0.075 0.000 2.803 111 T HA -0.148 4.202 4.350 0.000 0.000 0.269 111 T C 1.121 175.855 174.700 0.056 0.000 1.052 111 T CA 1.171 63.313 62.100 0.070 0.000 1.136 111 T CB -0.540 68.365 68.868 0.063 0.000 0.864 111 T HN 0.657 nan 8.240 nan 0.000 0.467 112 N N 1.020 119.746 118.700 0.044 0.000 2.702 112 N HA -0.224 4.516 4.740 0.000 0.000 0.255 112 N C 0.908 176.433 175.510 0.025 0.000 0.983 112 N CA 1.062 54.129 53.050 0.028 0.000 0.768 112 N CB -1.626 36.869 38.487 0.014 0.000 0.918 112 N HN 0.687 nan 8.380 nan 0.000 0.540 113 G N -2.002 106.815 108.800 0.028 0.000 2.244 113 G HA2 -0.079 3.881 3.960 0.000 0.000 0.274 113 G HA3 -0.079 3.881 3.960 0.000 0.000 0.274 113 G C 1.395 176.306 174.900 0.018 0.000 1.002 113 G CA 1.275 46.387 45.100 0.019 0.000 0.740 113 G HN 1.783 nan 8.290 nan 0.000 0.516 114 G N -0.945 107.873 108.800 0.031 0.000 3.736 114 G HA2 -0.119 3.842 3.960 0.000 0.000 0.196 114 G HA3 -0.119 3.842 3.960 0.000 0.000 0.196 114 G C 0.393 175.315 174.900 0.037 0.000 1.811 114 G CA 0.214 45.334 45.100 0.032 0.000 1.175 114 G HN 0.860 nan 8.290 nan 0.000 0.429 115 K N 2.184 122.594 120.400 0.017 0.000 2.146 115 K HA 0.341 4.661 4.320 0.000 0.000 0.220 115 K C 0.481 177.115 176.600 0.057 0.000 1.227 115 K CA -0.123 56.171 56.287 0.011 0.000 1.185 115 K CB -0.285 32.210 32.500 -0.008 0.000 1.333 115 K HN 0.436 nan 8.250 nan 0.000 0.242 116 I N 1.997 122.631 120.570 0.106 0.000 3.089 116 I HA -0.226 3.944 4.170 0.000 0.000 0.321 116 I C 0.854 177.084 176.117 0.188 0.000 1.222 116 I CA 0.814 62.213 61.300 0.165 0.000 1.452 116 I CB -0.053 38.100 38.000 0.256 0.000 1.321 116 I HN 0.383 nan 8.210 nan 0.000 0.539 117 R N 8.452 129.006 120.500 0.090 0.000 2.265 117 R HA 0.361 4.701 4.340 0.000 0.000 0.328 117 R C -2.471 173.826 176.300 -0.005 0.000 0.969 117 R CA -1.748 54.375 56.100 0.038 0.000 0.832 117 R CB 1.134 31.404 30.300 -0.049 0.000 1.139 117 R HN 0.211 nan 8.270 nan 0.000 0.457 118 P HA -0.014 nan 4.420 nan 0.000 0.263 118 P C -0.982 176.280 177.300 -0.063 0.000 1.276 118 P CA 0.385 63.392 63.100 -0.156 0.000 0.986 118 P CB 0.876 32.461 31.700 -0.192 0.000 1.105 119 T N 3.683 118.203 114.554 -0.056 0.000 2.907 119 T HA 0.662 5.012 4.350 0.000 0.000 0.292 119 T C -1.086 173.565 174.700 -0.082 0.000 1.043 119 T CA -0.812 61.234 62.100 -0.090 0.000 1.003 119 T CB 0.820 69.565 68.868 -0.204 0.000 1.084 119 T HN 0.075 nan 8.240 nan 0.000 0.483 120 I N 1.883 122.368 120.570 -0.143 0.000 3.042 120 I HA 0.648 4.819 4.170 0.000 0.000 0.310 120 I C -1.298 174.705 176.117 -0.191 0.000 1.117 120 I CA -0.540 60.767 61.300 0.012 0.000 1.003 120 I CB 2.470 40.514 38.000 0.073 0.000 1.228 120 I HN 0.745 nan 8.210 nan 0.000 0.443 121 T N 6.724 121.223 114.554 -0.093 0.000 3.078 121 T HA 0.436 4.787 4.350 0.000 0.000 0.328 121 T C -0.210 174.271 174.700 -0.364 0.000 0.987 121 T CA -0.327 61.596 62.100 -0.295 0.000 1.049 121 T CB 0.717 69.449 68.868 -0.228 0.000 1.011 121 T HN 0.249 nan 8.240 nan 0.000 0.463 122 I N 3.549 123.851 120.570 -0.446 0.000 2.474 122 I HA 0.413 4.583 4.170 0.000 0.000 0.287 122 I C -0.066 175.714 176.117 -0.562 0.000 1.048 122 I CA -0.293 60.731 61.300 -0.460 0.000 1.383 122 I CB 0.412 38.048 38.000 -0.606 0.000 1.412 122 I HN 0.495 nan 8.210 nan 0.000 0.531 123 F N 4.754 124.646 119.950 -0.097 0.000 2.585 123 F HA 0.490 5.017 4.527 0.000 0.000 0.350 123 F C 1.028 176.896 175.800 0.114 0.000 1.074 123 F CA -0.836 57.162 58.000 -0.003 0.000 1.032 123 F CB 0.557 39.567 39.000 0.017 0.000 1.330 123 F HN 0.253 nan 8.300 nan 0.000 0.495 124 R N 2.172 122.885 120.500 0.353 0.000 2.623 124 R HA 0.148 4.488 4.340 0.000 0.000 0.271 124 R C -2.191 174.237 176.300 0.213 0.000 1.043 124 R CA -1.161 55.076 56.100 0.229 0.000 1.083 124 R CB -0.084 30.308 30.300 0.153 0.000 0.974 124 R HN 0.275 nan 8.270 nan 0.000 0.436 125 P HA -0.073 nan 4.420 nan 0.000 0.312 125 P C -0.800 176.466 177.300 -0.056 0.000 1.307 125 P CA -0.323 62.741 63.100 -0.061 0.000 0.738 125 P CB 0.223 31.701 31.700 -0.370 0.000 1.422 126 N N -1.943 116.687 118.700 -0.118 0.000 2.696 126 N HA -0.255 4.485 4.740 0.000 0.000 0.254 126 N C 0.998 176.489 175.510 -0.032 0.000 0.988 126 N CA 1.365 54.365 53.050 -0.082 0.000 0.775 126 N CB -2.488 35.948 38.487 -0.086 0.000 0.933 126 N HN 0.961 nan 8.380 nan 0.000 0.539 127 G N -0.712 108.082 108.800 -0.009 0.000 2.179 127 G HA2 -0.365 3.595 3.960 0.000 0.000 0.257 127 G HA3 -0.365 3.595 3.960 0.000 0.000 0.257 127 G C 0.652 175.560 174.900 0.013 0.000 1.010 127 G CA 0.599 45.705 45.100 0.011 0.000 0.736 127 G HN 0.605 nan 8.290 nan 0.000 0.513 128 E N -1.167 119.041 120.200 0.014 0.000 2.347 128 E HA 0.134 4.484 4.350 0.000 0.000 0.196 128 E C 0.699 177.295 176.600 -0.007 0.000 1.008 128 E CA 0.979 57.386 56.400 0.011 0.000 0.852 128 E CB 0.289 30.003 29.700 0.024 0.000 0.783 128 E HN 0.441 nan 8.360 nan 0.000 0.505 129 V N 0.944 120.850 119.914 -0.014 0.000 2.841 129 V HA 0.387 4.507 4.120 0.000 0.000 0.310 129 V C -0.403 175.656 176.094 -0.058 0.000 1.090 129 V CA -0.882 61.360 62.300 -0.096 0.000 0.930 129 V CB 2.413 34.116 31.823 -0.200 0.000 1.014 129 V HN -0.024 nan 8.190 nan 0.000 0.425 130 R N 3.939 124.404 120.500 -0.058 0.000 2.539 130 R HA 0.533 4.873 4.340 0.000 0.000 0.295 130 R C -1.359 175.005 176.300 0.107 0.000 1.138 130 R CA -0.368 55.772 56.100 0.066 0.000 0.936 130 R CB 1.967 32.383 30.300 0.195 0.000 1.182 130 R HN 0.661 nan 8.270 nan 0.000 0.459 131 I N 2.676 123.280 120.570 0.057 0.000 2.342 131 I HA 0.112 4.283 4.170 0.000 0.000 0.291 131 I C 0.721 177.000 176.117 0.271 0.000 1.010 131 I CA -0.396 60.948 61.300 0.073 0.000 1.308 131 I CB 0.948 38.922 38.000 -0.044 0.000 1.400 131 I HN 0.484 nan 8.210 nan 0.000 0.488 132 W N 3.695 125.000 121.300 0.010 0.000 2.481 132 W HA 0.019 4.679 4.660 0.001 0.000 0.293 132 W C 1.162 177.626 176.519 -0.091 0.000 1.201 132 W CA -0.076 57.325 57.345 0.092 0.000 1.328 132 W CB -0.527 29.139 29.460 0.343 0.000 1.112 132 W HN 0.399 nan 8.180 nan 0.000 0.546 133 N N 1.233 119.910 118.700 -0.040 0.000 2.407 133 N HA -0.135 4.605 4.740 0.000 0.000 0.250 133 N C 1.130 176.480 175.510 -0.267 0.000 1.236 133 N CA 0.477 53.246 53.050 -0.468 0.000 0.879 133 N CB 0.486 38.820 38.487 -0.255 0.000 1.088 133 N HN 0.197 nan 8.380 nan 0.000 0.450 134 H N 1.859 120.707 119.070 -0.370 0.000 2.299 134 H HA -0.031 4.526 4.556 0.000 0.000 0.302 134 H C -0.085 175.125 175.328 -0.197 0.000 1.078 134 H CA 1.471 57.406 56.048 -0.188 0.000 1.323 134 H CB 0.722 30.419 29.762 -0.110 0.000 1.381 134 H HN 0.589 nan 8.280 nan 0.000 0.498 135 Q N -0.062 119.653 119.800 -0.142 0.000 2.394 135 Q HA 0.242 4.583 4.340 0.000 0.000 0.273 135 Q C 1.287 177.138 176.000 -0.248 0.000 1.089 135 Q CA -0.554 55.112 55.803 -0.228 0.000 0.812 135 Q CB 2.899 31.564 28.738 -0.121 0.000 1.353 135 Q HN 0.252 nan 8.270 nan 0.000 0.438 136 L N 0.997 122.063 121.223 -0.263 0.000 1.994 136 L HA -0.041 4.300 4.340 0.000 0.000 0.208 136 L C 0.728 177.448 176.870 -0.250 0.000 1.071 136 L CA 1.314 56.035 54.840 -0.197 0.000 0.745 136 L CB -0.196 41.763 42.059 -0.167 0.000 0.892 136 L HN 0.547 nan 8.230 nan 0.000 0.431 137 I N 0.220 120.550 120.570 -0.401 0.000 2.312 137 I HA 0.315 4.485 4.170 0.000 0.000 0.290 137 I C -0.142 175.376 176.117 -0.998 0.000 1.008 137 I CA -0.297 60.634 61.300 -0.615 0.000 1.226 137 I CB 1.316 38.936 38.000 -0.633 0.000 1.371 137 I HN 0.132 nan 8.210 nan 0.000 0.468 138 R N 5.179 125.214 120.500 -0.774 0.000 2.664 138 R HA 0.419 4.759 4.340 0.000 0.000 0.266 138 R C -1.950 174.098 176.300 -0.420 0.000 1.046 138 R CA -0.709 55.011 56.100 -0.633 0.000 0.885 138 R CB 1.168 31.321 30.300 -0.244 0.000 1.254 138 R HN 0.261 nan 8.270 nan 0.000 0.465 139 Y N 1.325 121.619 120.300 -0.010 0.000 2.301 139 Y HA 0.633 5.183 4.550 0.000 0.000 0.325 139 Y C 0.911 176.864 175.900 0.088 0.000 1.203 139 Y CA -0.026 58.128 58.100 0.090 0.000 1.255 139 Y CB 1.428 40.022 38.460 0.223 0.000 1.232 139 Y HN 0.742 nan 8.280 nan 0.000 0.501 140 A N 1.448 124.414 122.820 0.244 0.000 2.313 140 A HA 0.681 5.001 4.320 0.000 0.000 0.261 140 A C 0.460 177.953 177.584 -0.151 0.000 1.090 140 A CA 0.238 52.285 52.037 0.018 0.000 0.807 140 A CB -0.135 18.911 19.000 0.076 0.000 1.055 140 A HN 0.907 nan 8.150 nan 0.000 0.492 141 G N -0.900 107.651 108.800 -0.416 0.000 2.591 141 G HA2 0.608 4.568 3.960 0.000 0.000 0.306 141 G HA3 0.608 4.568 3.960 0.000 0.000 0.306 141 G C -1.545 172.966 174.900 -0.648 0.000 1.334 141 G CA -0.316 44.557 45.100 -0.378 0.000 0.981 141 G HN 0.531 nan 8.290 nan 0.000 0.491 142 Y N -0.374 119.935 120.300 0.016 0.000 2.492 142 Y HA 0.510 5.060 4.550 0.000 0.000 0.346 142 Y C -0.011 175.883 175.900 -0.010 0.000 0.997 142 Y CA -1.072 57.029 58.100 0.002 0.000 1.025 142 Y CB 2.860 41.315 38.460 -0.009 0.000 1.263 142 Y HN 0.555 nan 8.280 nan 0.000 0.454 143 E N 1.721 122.005 120.200 0.141 0.000 2.121 143 E HA 0.356 4.706 4.350 0.000 0.000 0.255 143 E C -1.028 175.612 176.600 0.067 0.000 0.906 143 E CA -0.324 56.122 56.400 0.077 0.000 0.745 143 E CB 0.725 30.453 29.700 0.046 0.000 1.155 143 E HN 0.640 nan 8.360 nan 0.000 0.424 144 T N 3.357 117.942 114.554 0.052 0.000 2.913 144 T HA 0.038 4.388 4.350 0.000 0.000 0.287 144 T C 0.796 175.500 174.700 0.008 0.000 1.008 144 T CA -0.639 61.472 62.100 0.018 0.000 1.067 144 T CB 1.142 70.007 68.868 -0.004 0.000 0.996 144 T HN 0.509 nan 8.240 nan 0.000 0.513 145 E N 1.656 121.855 120.200 -0.001 0.000 2.194 145 E HA -0.201 4.149 4.350 0.000 0.000 0.246 145 E C 0.694 177.294 176.600 -0.001 0.000 0.974 145 E CA 1.694 58.092 56.400 -0.003 0.000 0.949 145 E CB -0.078 29.616 29.700 -0.009 0.000 0.896 145 E HN 0.665 nan 8.360 nan 0.000 0.550 146 E N 0.997 121.194 120.200 -0.005 0.000 2.200 146 E HA 0.489 4.839 4.350 0.000 0.000 0.283 146 E C 0.614 177.211 176.600 -0.004 0.000 1.015 146 E CA 0.242 56.640 56.400 -0.004 0.000 0.819 146 E CB 1.139 30.835 29.700 -0.007 0.000 1.081 146 E HN 0.486 nan 8.360 nan 0.000 0.397 147 G N 2.148 110.949 108.800 0.000 0.000 2.541 147 G HA2 -0.002 3.958 3.960 0.000 0.000 0.686 147 G HA3 -0.002 3.958 3.960 0.000 0.000 0.686 147 G C -1.334 173.572 174.900 0.010 0.000 1.286 147 G CA -0.518 44.583 45.100 0.001 0.000 0.894 147 G HN 0.528 nan 8.290 nan 0.000 0.575 148 I N 0.115 120.690 120.570 0.008 0.000 2.607 148 I HA 0.722 4.892 4.170 0.000 0.000 0.290 148 I C -0.858 175.265 176.117 0.009 0.000 1.129 148 I CA -1.243 60.068 61.300 0.018 0.000 1.042 148 I CB 1.545 39.550 38.000 0.008 0.000 1.242 148 I HN 0.676 nan 8.210 nan 0.000 0.421 149 I N 7.069 127.674 120.570 0.058 0.000 2.465 149 I HA 0.697 4.867 4.170 0.000 0.000 0.291 149 I C 0.705 176.859 176.117 0.061 0.000 1.014 149 I CA 0.049 61.388 61.300 0.064 0.000 1.093 149 I CB 1.657 39.736 38.000 0.133 0.000 1.267 149 I HN 0.875 nan 8.210 nan 0.000 0.431 150 G N 5.566 114.314 108.800 -0.087 0.000 2.503 150 G HA2 -0.204 3.756 3.960 0.000 0.000 0.235 150 G HA3 -0.204 3.756 3.960 0.000 0.000 0.235 150 G C -0.648 174.045 174.900 -0.346 0.000 1.179 150 G CA -0.450 44.569 45.100 -0.134 0.000 0.944 150 G HN 0.602 nan 8.290 nan 0.000 0.580 151 D N 1.511 121.858 120.400 -0.089 0.000 2.473 151 D HA 0.497 5.137 4.640 0.000 0.000 0.226 151 D C 1.976 178.283 176.300 0.012 0.000 1.089 151 D CA 0.644 54.640 54.000 -0.006 0.000 0.883 151 D CB 0.846 41.831 40.800 0.308 0.000 1.029 151 D HN 0.628 nan 8.370 nan 0.000 0.517 152 S N 1.504 117.198 115.700 -0.010 0.000 2.444 152 S HA -0.281 4.189 4.470 0.000 0.000 0.244 152 S C 1.908 176.559 174.600 0.085 0.000 1.025 152 S CA 1.592 59.820 58.200 0.048 0.000 0.995 152 S CB -0.160 63.106 63.200 0.109 0.000 0.781 152 S HN 0.409 nan 8.310 nan 0.000 0.496 153 S N 2.180 117.952 115.700 0.120 0.000 2.387 153 S HA -0.046 4.425 4.470 0.000 0.000 0.226 153 S C 1.587 176.232 174.600 0.075 0.000 1.026 153 S CA 0.935 59.203 58.200 0.114 0.000 0.972 153 S CB -0.749 62.531 63.200 0.134 0.000 0.814 153 S HN 0.721 nan 8.310 nan 0.000 0.477 154 S N 0.918 116.664 115.700 0.076 0.000 2.622 154 S HA 0.410 4.880 4.470 0.000 0.000 0.236 154 S C 1.174 175.779 174.600 0.008 0.000 0.956 154 S CA -0.385 57.860 58.200 0.074 0.000 0.971 154 S CB -0.163 63.107 63.200 0.117 0.000 0.782 154 S HN 0.414 nan 8.310 nan 0.000 0.468 155 L N 1.259 122.474 121.223 -0.015 0.000 1.961 155 L HA -0.120 4.220 4.340 0.000 0.000 0.210 155 L C 3.115 179.949 176.870 -0.059 0.000 1.072 155 L CA 1.906 56.711 54.840 -0.059 0.000 0.749 155 L CB -0.945 41.102 42.059 -0.020 0.000 0.889 155 L HN 0.412 nan 8.230 nan 0.000 0.432 156 T N -0.711 113.833 114.554 -0.016 0.000 2.607 156 T HA -0.332 4.019 4.350 0.000 0.000 0.267 156 T C 1.736 176.343 174.700 -0.155 0.000 1.049 156 T CA 2.163 64.254 62.100 -0.015 0.000 1.162 156 T CB -0.417 68.500 68.868 0.081 0.000 0.863 156 T HN 0.336 nan 8.240 nan 0.000 0.424 157 F N 1.209 120.875 119.950 -0.473 0.000 2.095 157 F HA -0.135 4.392 4.527 0.000 0.000 0.298 157 F C 2.525 178.077 175.800 -0.412 0.000 1.104 157 F CA 2.140 59.620 58.000 -0.865 0.000 1.232 157 F CB -0.765 37.781 39.000 -0.756 0.000 0.987 157 F HN 0.162 nan 8.300 nan 0.000 0.475 158 T N 1.072 115.367 114.554 -0.431 0.000 2.665 158 T HA -0.240 4.110 4.350 0.000 0.000 0.268 158 T C 2.041 176.579 174.700 -0.270 0.000 1.035 158 T CA 1.400 63.251 62.100 -0.415 0.000 1.151 158 T CB -0.382 68.333 68.868 -0.255 0.000 0.862 158 T HN 0.112 nan 8.240 nan 0.000 0.438 159 R N 1.223 121.619 120.500 -0.174 0.000 2.119 159 R HA -0.081 4.259 4.340 0.000 0.000 0.246 159 R C 2.567 178.812 176.300 -0.092 0.000 1.146 159 R CA 1.897 57.952 56.100 -0.076 0.000 0.962 159 R CB -1.201 29.078 30.300 -0.036 0.000 0.863 159 R HN 0.482 nan 8.270 nan 0.000 0.442 160 A N -0.187 122.526 122.820 -0.178 0.000 1.858 160 A HA -0.197 4.123 4.320 0.000 0.000 0.216 160 A C 2.732 180.224 177.584 -0.152 0.000 1.190 160 A CA 1.722 53.702 52.037 -0.094 0.000 0.617 160 A CB -1.120 17.857 19.000 -0.038 0.000 0.827 160 A HN 0.496 nan 8.150 nan 0.000 0.443 161 C N -0.545 118.510 119.300 -0.408 0.000 2.403 161 C HA -0.137 4.324 4.460 0.000 0.000 0.277 161 C C 2.634 177.538 174.990 -0.144 0.000 1.248 161 C CA 1.372 60.140 59.018 -0.417 0.000 1.762 161 C CB -1.450 25.884 27.740 -0.676 0.000 2.014 161 C HN 0.693 nan 8.230 nan 0.000 0.486 162 E N -0.004 120.196 120.200 -0.000 0.000 2.152 162 E HA -0.231 4.120 4.350 0.000 0.000 0.192 162 E C 2.128 178.741 176.600 0.022 0.000 0.983 162 E CA 0.889 57.306 56.400 0.028 0.000 0.818 162 E CB -0.214 29.508 29.700 0.036 0.000 0.758 162 E HN 0.585 nan 8.360 nan 0.000 0.467 163 Q N 0.570 120.384 119.800 0.024 0.000 2.167 163 Q HA -0.119 4.222 4.340 0.000 0.000 0.202 163 Q C 1.279 177.339 176.000 0.099 0.000 0.970 163 Q CA 1.112 56.951 55.803 0.060 0.000 0.855 163 Q CB 0.097 28.878 28.738 0.072 0.000 0.911 163 Q HN 0.167 nan 8.270 nan 0.000 0.438 164 L N -0.592 120.694 121.223 0.105 0.000 2.627 164 L HA 0.327 4.668 4.340 0.000 0.000 0.232 164 L C 1.319 178.451 176.870 0.437 0.000 1.150 164 L CA 1.024 56.007 54.840 0.238 0.000 0.917 164 L CB 0.141 42.356 42.059 0.261 0.000 1.104 164 L HN 0.418 nan 8.230 nan 0.000 0.445 165 G N -2.488 106.478 108.800 0.277 0.000 2.213 165 G HA2 -0.317 3.643 3.960 0.000 0.000 0.226 165 G HA3 -0.317 3.643 3.960 0.000 0.000 0.226 165 G C 0.113 175.217 174.900 0.340 0.000 0.992 165 G CA -0.136 45.178 45.100 0.357 0.000 0.632 165 G HN 0.253 nan 8.290 nan 0.000 0.511 166 W N 3.002 124.137 121.300 -0.274 0.000 2.170 166 W HA 0.643 5.303 4.660 0.000 0.000 0.336 166 W C -0.047 176.308 176.519 -0.273 0.000 1.283 166 W CA -0.026 56.891 57.345 -0.714 0.000 1.224 166 W CB 0.669 29.274 29.460 -1.425 0.000 1.132 166 W HN -0.052 nan 8.180 nan 0.000 0.571 167 K N 4.502 124.198 120.400 -1.174 0.000 2.443 167 K HA 0.498 4.818 4.320 0.000 0.000 0.252 167 K C -0.253 175.486 176.600 -1.435 0.000 0.933 167 K CA -0.754 54.927 56.287 -1.010 0.000 0.792 167 K CB 1.694 33.920 32.500 -0.455 0.000 1.185 167 K HN 0.706 nan 8.250 nan 0.000 0.425 168 G N 0.862 108.950 108.800 -1.188 0.000 2.417 168 G HA2 0.271 4.232 3.960 0.000 0.000 0.334 168 G HA3 0.271 4.232 3.960 0.000 0.000 0.334 168 G C 0.136 174.811 174.900 -0.376 0.000 1.150 168 G CA -0.342 44.310 45.100 -0.747 0.000 0.923 168 G HN 0.441 nan 8.290 nan 0.000 0.485 169 E N 0.259 120.350 120.200 -0.182 0.000 2.505 169 E HA 0.021 4.371 4.350 0.000 0.000 0.197 169 E C 0.723 177.208 176.600 -0.192 0.000 1.111 169 E CA 0.071 56.385 56.400 -0.143 0.000 0.887 169 E CB -0.343 29.333 29.700 -0.040 0.000 0.913 169 E HN 0.561 nan 8.360 nan 0.000 0.517 170 K N 0.675 120.860 120.400 -0.358 0.000 3.540 170 K HA -0.212 4.108 4.320 0.000 0.000 0.274 170 K C -0.029 176.438 176.600 -0.221 0.000 0.890 170 K CA 0.992 56.908 56.287 -0.618 0.000 0.701 170 K CB -2.032 30.029 32.500 -0.730 0.000 1.523 170 K HN 0.376 nan 8.250 nan 0.000 0.450 171 T N -3.492 111.056 114.554 -0.010 0.000 2.905 171 T HA 0.499 4.849 4.350 0.000 0.000 0.283 171 T C -1.733 172.977 174.700 0.017 0.000 1.031 171 T CA -1.556 60.547 62.100 0.004 0.000 1.002 171 T CB 2.051 70.938 68.868 0.031 0.000 1.200 171 T HN -0.124 nan 8.240 nan 0.000 0.560 172 P HA 0.109 nan 4.420 nan 0.000 0.226 172 P C -0.282 176.587 177.300 -0.718 0.000 1.153 172 P CA 0.697 63.530 63.100 -0.445 0.000 0.777 172 P CB -0.087 31.199 31.700 -0.690 0.000 0.794 173 F N 0.249 120.192 119.950 -0.010 0.000 2.593 173 F HA 0.326 4.853 4.527 0.001 0.000 0.336 173 F C -0.045 175.857 175.800 0.171 0.000 1.491 173 F CA -1.364 56.463 58.000 -0.287 0.000 1.114 173 F CB 0.074 38.745 39.000 -0.548 0.000 1.468 173 F HN -0.313 nan 8.300 nan 0.000 0.579 174 D N 1.502 122.168 120.400 0.444 0.000 2.255 174 D HA 0.337 4.977 4.640 0.000 0.000 0.249 174 D C 0.031 176.618 176.300 0.478 0.000 1.078 174 D CA -0.114 54.157 54.000 0.451 0.000 0.896 174 D CB 2.538 43.627 40.800 0.481 0.000 1.194 174 D HN 0.129 nan 8.370 nan 0.000 0.429 175 V N 0.788 120.904 119.914 0.336 0.000 2.427 175 V HA 0.259 4.379 4.120 0.000 0.000 0.268 175 V C 0.763 176.876 176.094 0.032 0.000 1.046 175 V CA -0.822 61.558 62.300 0.133 0.000 0.970 175 V CB -0.053 31.810 31.823 0.066 0.000 1.001 175 V HN 0.359 nan 8.190 nan 0.000 0.476 176 L N 7.201 128.356 121.223 -0.113 0.000 2.482 176 L HA 0.319 4.659 4.340 0.000 0.000 0.273 176 L C -1.567 175.070 176.870 -0.388 0.000 1.228 176 L CA -0.961 53.655 54.840 -0.373 0.000 0.827 176 L CB 1.049 43.008 42.059 -0.165 0.000 1.099 176 L HN 0.559 nan 8.230 nan 0.000 0.494 177 P HA 0.236 nan 4.420 nan 0.000 0.285 177 P C -1.271 175.987 177.300 -0.070 0.000 1.269 177 P CA -0.646 62.234 63.100 -0.367 0.000 0.844 177 P CB 1.152 32.428 31.700 -0.707 0.000 1.094 178 L N 1.613 122.905 121.223 0.115 0.000 2.315 178 L HA 0.311 4.651 4.340 0.000 0.000 0.283 178 L C 0.587 177.665 176.870 0.348 0.000 1.089 178 L CA -0.536 54.448 54.840 0.241 0.000 0.833 178 L CB 0.988 43.256 42.059 0.349 0.000 1.170 178 L HN 0.125 nan 8.230 nan 0.000 0.442 179 V N 6.806 126.888 119.914 0.279 0.000 2.378 179 V HA 0.557 4.677 4.120 0.000 0.000 0.288 179 V C -0.074 176.014 176.094 -0.010 0.000 1.016 179 V CA -0.436 61.979 62.300 0.192 0.000 0.840 179 V CB 1.492 33.405 31.823 0.149 0.000 0.994 179 V HN 0.608 nan 8.190 nan 0.000 0.431 180 I N 3.511 123.984 120.570 -0.162 0.000 2.957 180 I HA 0.786 4.957 4.170 0.000 0.000 0.310 180 I C -0.849 175.034 176.117 -0.390 0.000 1.063 180 I CA -0.910 60.198 61.300 -0.320 0.000 1.033 180 I CB 2.189 39.884 38.000 -0.508 0.000 1.230 180 I HN 0.676 nan 8.210 nan 0.000 0.447 181 Q N 2.644 122.280 119.800 -0.274 0.000 2.372 181 Q HA 0.746 5.087 4.340 0.000 0.000 0.273 181 Q C -2.061 173.865 176.000 -0.123 0.000 1.078 181 Q CA -0.747 54.955 55.803 -0.168 0.000 0.806 181 Q CB 2.826 31.583 28.738 0.032 0.000 1.332 181 Q HN 0.753 nan 8.270 nan 0.000 0.435 182 V N 3.507 123.360 119.914 -0.101 0.000 2.888 182 V HA 0.747 4.867 4.120 0.000 0.000 0.309 182 V C 0.520 176.590 176.094 -0.041 0.000 1.114 182 V CA 0.805 63.052 62.300 -0.088 0.000 0.940 182 V CB 1.479 33.225 31.823 -0.128 0.000 1.021 182 V HN 1.062 nan 8.190 nan 0.000 0.426 183 G N 4.872 113.658 108.800 -0.023 0.000 4.825 183 G HA2 -0.211 3.749 3.960 0.000 0.000 0.224 183 G HA3 -0.211 3.749 3.960 0.000 0.000 0.224 183 G C 1.132 176.035 174.900 0.006 0.000 1.356 183 G CA 1.106 46.202 45.100 -0.006 0.000 0.966 183 G HN 2.237 nan 8.290 nan 0.000 0.690 184 G N -0.903 107.902 108.800 0.009 0.000 3.765 184 G HA2 0.527 4.487 3.960 0.000 0.000 0.153 184 G HA3 0.527 4.487 3.960 0.000 0.000 0.153 184 G C 0.312 175.235 174.900 0.039 0.000 1.286 184 G CA 1.344 46.459 45.100 0.025 0.000 0.814 184 G HN 1.411 nan 8.290 nan 0.000 0.772 185 Q N -0.769 119.046 119.800 0.025 0.000 2.943 185 Q HA 0.644 4.984 4.340 0.000 0.000 0.328 185 Q C -1.090 174.915 176.000 0.009 0.000 0.934 185 Q CA -0.939 54.885 55.803 0.035 0.000 0.782 185 Q CB 0.839 29.598 28.738 0.035 0.000 1.470 185 Q HN -0.179 nan 8.270 nan 0.000 0.503 186 K N 1.468 121.877 120.400 0.015 0.000 5.769 186 K HA -0.087 4.234 4.320 0.000 0.000 0.528 186 K C -2.452 174.104 176.600 -0.074 0.000 1.321 186 K CA 0.504 56.784 56.287 -0.012 0.000 1.369 186 K CB -0.885 31.607 32.500 -0.013 0.000 1.857 186 K HN 0.656 nan 8.250 nan 0.000 0.330 187 P HA 0.134 nan 4.420 nan 0.000 0.282 187 P C 0.038 177.247 177.300 -0.152 0.000 1.262 187 P CA -0.417 62.483 63.100 -0.334 0.000 0.773 187 P CB 0.841 32.074 31.700 -0.778 0.000 0.879 188 V N 2.257 122.111 119.914 -0.101 0.000 2.732 188 V HA 0.801 4.921 4.120 0.000 0.000 0.310 188 V C -0.372 175.844 176.094 0.203 0.000 1.053 188 V CA -0.862 61.441 62.300 0.006 0.000 0.957 188 V CB 2.141 33.971 31.823 0.012 0.000 1.018 188 V HN 0.725 nan 8.190 nan 0.000 0.452 189 W N 0.710 122.059 121.300 0.081 0.000 3.031 189 W HA 0.795 5.455 4.660 0.000 0.000 0.337 189 W C -1.381 175.090 176.519 -0.079 0.000 1.187 189 W CA -0.668 56.725 57.345 0.080 0.000 1.166 189 W CB 1.454 30.908 29.460 -0.011 0.000 1.437 189 W HN 0.803 nan 8.180 nan 0.000 0.551 190 T N 3.570 118.152 114.554 0.047 0.000 3.237 190 T HA 0.353 4.703 4.350 0.000 0.000 0.319 190 T C -2.701 172.062 174.700 0.105 0.000 1.037 190 T CA -1.105 60.895 62.100 -0.168 0.000 1.048 190 T CB 1.572 70.008 68.868 -0.720 0.000 1.081 190 T HN 0.269 nan 8.240 nan 0.000 0.455 191 P HA 0.232 nan 4.420 nan 0.000 0.266 191 P C -0.170 177.220 177.300 0.150 0.000 1.195 191 P CA -0.199 63.042 63.100 0.235 0.000 0.768 191 P CB 0.580 32.467 31.700 0.312 0.000 0.838 192 I N 4.556 125.192 120.570 0.110 0.000 2.529 192 I HA 0.091 4.261 4.170 0.000 0.000 0.284 192 I C -1.791 174.251 176.117 -0.124 0.000 1.082 192 I CA -2.181 59.115 61.300 -0.006 0.000 1.406 192 I CB -0.052 37.952 38.000 0.006 0.000 1.405 192 I HN 0.138 nan 8.210 nan 0.000 0.548 193 P HA -0.020 nan 4.420 nan 0.000 0.261 193 P C 0.256 177.471 177.300 -0.141 0.000 1.203 193 P CA -0.203 62.762 63.100 -0.225 0.000 0.767 193 P CB 0.264 31.755 31.700 -0.347 0.000 0.785 194 K N 3.546 123.909 120.400 -0.062 0.000 2.107 194 K HA -0.251 4.069 4.320 0.000 0.000 0.211 194 K C 1.302 177.878 176.600 -0.042 0.000 1.049 194 K CA 1.822 58.093 56.287 -0.028 0.000 0.927 194 K CB -0.768 31.733 32.500 0.003 0.000 0.714 194 K HN 0.370 nan 8.250 nan 0.000 0.452 195 E N 0.696 120.863 120.200 -0.056 0.000 2.171 195 E HA -0.134 4.216 4.350 0.000 0.000 0.197 195 E C 1.826 178.393 176.600 -0.055 0.000 0.997 195 E CA 0.763 57.133 56.400 -0.049 0.000 0.810 195 E CB -0.218 29.449 29.700 -0.054 0.000 0.738 195 E HN 0.114 nan 8.360 nan 0.000 0.467 196 L N -0.565 120.602 121.223 -0.093 0.000 2.395 196 L HA 0.011 4.352 4.340 0.000 0.000 0.218 196 L C 0.239 177.080 176.870 -0.048 0.000 1.130 196 L CA 0.559 55.349 54.840 -0.084 0.000 0.826 196 L CB 0.048 42.010 42.059 -0.163 0.000 0.941 196 L HN -0.120 nan 8.230 nan 0.000 0.451 197 V N 1.545 121.431 119.914 -0.046 0.000 2.334 197 V HA 0.213 4.333 4.120 0.000 0.000 0.267 197 V C -0.041 176.053 176.094 0.001 0.000 1.040 197 V CA -0.799 61.483 62.300 -0.030 0.000 0.866 197 V CB 1.183 32.979 31.823 -0.044 0.000 1.019 197 V HN -0.005 nan 8.190 nan 0.000 0.468 198 L N 5.757 126.993 121.223 0.021 0.000 2.305 198 L HA 0.526 4.866 4.340 0.000 0.000 0.281 198 L C 0.017 176.913 176.870 0.045 0.000 1.085 198 L CA 0.563 55.420 54.840 0.028 0.000 0.813 198 L CB 0.756 42.837 42.059 0.037 0.000 1.157 198 L HN 0.682 nan 8.230 nan 0.000 0.436 199 E N 3.906 124.116 120.200 0.017 0.000 2.234 199 E HA 0.461 4.811 4.350 0.000 0.000 0.266 199 E C -1.382 175.177 176.600 -0.070 0.000 0.877 199 E CA -0.924 55.481 56.400 0.008 0.000 0.758 199 E CB 2.455 32.175 29.700 0.034 0.000 1.170 199 E HN 0.406 nan 8.360 nan 0.000 0.415 200 V N 4.584 124.406 119.914 -0.153 0.000 2.394 200 V HA 0.316 4.436 4.120 0.000 0.000 0.282 200 V C -2.104 173.883 176.094 -0.179 0.000 1.031 200 V CA -1.730 60.397 62.300 -0.287 0.000 0.881 200 V CB 1.285 32.637 31.823 -0.785 0.000 0.982 200 V HN 0.551 nan 8.190 nan 0.000 0.451 201 P HA 0.336 nan 4.420 nan 0.000 0.293 201 P C -0.820 176.482 177.300 0.005 0.000 1.300 201 P CA -0.415 62.661 63.100 -0.040 0.000 0.792 201 P CB 1.276 32.964 31.700 -0.020 0.000 0.925 202 I N 4.283 124.902 120.570 0.082 0.000 2.436 202 I HA 0.174 4.344 4.170 0.000 0.000 0.289 202 I C 1.174 177.408 176.117 0.195 0.000 1.083 202 I CA 0.122 61.508 61.300 0.144 0.000 1.372 202 I CB -0.495 37.661 38.000 0.260 0.000 1.408 202 I HN 0.534 nan 8.210 nan 0.000 0.516 203 E N 5.644 125.915 120.200 0.118 0.000 2.383 203 E HA 0.392 4.742 4.350 0.000 0.000 0.275 203 E C -1.120 175.468 176.600 -0.021 0.000 0.918 203 E CA -0.868 55.638 56.400 0.177 0.000 0.764 203 E CB 2.359 32.190 29.700 0.218 0.000 1.252 203 E HN 0.431 nan 8.360 nan 0.000 0.449 204 H N 2.475 121.465 119.070 -0.133 0.000 2.517 204 H HA 0.201 4.758 4.556 0.000 0.000 0.317 204 H C -1.652 173.414 175.328 -0.436 0.000 1.080 204 H CA -2.256 53.575 56.048 -0.362 0.000 1.301 204 H CB 1.815 31.460 29.762 -0.196 0.000 1.425 204 H HN 0.427 nan 8.280 nan 0.000 0.471 205 P HA -0.140 nan 4.420 nan 0.000 0.218 205 P C 0.337 177.456 177.300 -0.303 0.000 1.146 205 P CA 1.381 63.923 63.100 -0.930 0.000 0.813 205 P CB 0.752 31.688 31.700 -1.274 0.000 0.778 206 E N -1.563 118.539 120.200 -0.163 0.000 2.332 206 E HA 0.150 4.500 4.350 0.000 0.000 0.202 206 E C 0.454 176.986 176.600 -0.114 0.000 0.877 206 E CA -0.134 56.114 56.400 -0.254 0.000 0.979 206 E CB -0.004 29.405 29.700 -0.486 0.000 0.969 206 E HN 0.211 nan 8.360 nan 0.000 0.495 207 F N 3.842 123.678 119.950 -0.190 0.000 2.462 207 F HA 0.152 4.679 4.527 0.001 0.000 0.354 207 F C -1.400 174.484 175.800 0.140 0.000 1.192 207 F CA -2.135 55.819 58.000 -0.077 0.000 1.173 207 F CB 0.692 39.586 39.000 -0.178 0.000 1.402 207 F HN 0.031 nan 8.300 nan 0.000 0.595 208 P HA -0.216 nan 4.420 nan 0.000 0.219 208 P C 1.156 178.694 177.300 0.397 0.000 1.146 208 P CA 1.387 64.661 63.100 0.290 0.000 0.808 208 P CB 0.139 31.968 31.700 0.217 0.000 0.779 209 W N -0.998 120.391 121.300 0.148 0.000 3.180 209 W HA 0.183 4.844 4.660 0.000 0.000 0.254 209 W C 1.996 178.580 176.519 0.108 0.000 1.318 209 W CA -0.303 57.094 57.345 0.085 0.000 1.608 209 W CB -1.093 28.367 29.460 0.001 0.000 1.124 209 W HN -0.127 nan 8.180 nan 0.000 0.694 210 F N 1.496 121.597 119.950 0.252 0.000 2.128 210 F HA -0.146 4.381 4.527 0.000 0.000 0.295 210 F C 2.688 178.538 175.800 0.083 0.000 1.100 210 F CA 2.093 60.208 58.000 0.192 0.000 1.260 210 F CB -0.336 38.853 39.000 0.316 0.000 1.009 210 F HN -0.133 nan 8.300 nan 0.000 0.476 211 R N 0.019 120.740 120.500 0.370 0.000 2.303 211 R HA -0.177 4.164 4.340 0.000 0.000 0.225 211 R C 1.088 177.411 176.300 0.038 0.000 1.114 211 R CA 1.859 58.088 56.100 0.214 0.000 1.007 211 R CB -0.862 29.540 30.300 0.170 0.000 0.861 211 R HN 0.183 nan 8.270 nan 0.000 0.471 212 D N 0.838 121.187 120.400 -0.086 0.000 2.347 212 D HA 0.002 4.642 4.640 0.000 0.000 0.215 212 D C 1.478 177.632 176.300 -0.243 0.000 0.976 212 D CA 0.625 54.472 54.000 -0.255 0.000 0.884 212 D CB 0.097 40.535 40.800 -0.602 0.000 0.915 212 D HN 0.313 nan 8.370 nan 0.000 0.526 213 L N 0.105 121.196 121.223 -0.219 0.000 2.622 213 L HA 0.018 4.359 4.340 0.000 0.000 0.233 213 L C 0.374 177.187 176.870 -0.096 0.000 1.156 213 L CA 0.170 54.878 54.840 -0.220 0.000 0.866 213 L CB -0.455 41.391 42.059 -0.355 0.000 0.980 213 L HN -0.029 nan 8.230 nan 0.000 0.448 214 Q N 1.180 120.956 119.800 -0.040 0.000 2.426 214 Q HA -0.193 4.148 4.340 0.000 0.000 0.359 214 Q C -0.674 175.393 176.000 0.110 0.000 1.381 214 Q CA 0.537 56.360 55.803 0.033 0.000 1.060 214 Q CB -1.180 27.578 28.738 0.032 0.000 1.253 214 Q HN 0.491 nan 8.270 nan 0.000 0.363 215 L N 1.006 122.267 121.223 0.064 0.000 2.334 215 L HA 0.631 4.971 4.340 0.000 0.000 0.273 215 L C 0.187 177.030 176.870 -0.045 0.000 1.013 215 L CA -0.529 54.340 54.840 0.048 0.000 0.816 215 L CB 1.664 43.616 42.059 -0.179 0.000 1.278 215 L HN 0.253 nan 8.230 nan 0.000 0.431 216 K N 1.000 121.201 120.400 -0.331 0.000 2.499 216 K HA 0.585 4.905 4.320 0.000 0.000 0.277 216 K C -1.937 174.612 176.600 -0.084 0.000 1.025 216 K CA -1.006 55.138 56.287 -0.239 0.000 0.900 216 K CB 2.584 34.873 32.500 -0.352 0.000 1.494 216 K HN 0.546 nan 8.250 nan 0.000 0.442 217 W N 1.891 123.111 121.300 -0.134 0.000 3.419 217 W HA 0.241 4.902 4.660 0.000 0.000 0.298 217 W C -1.098 175.473 176.519 0.087 0.000 1.260 217 W CA -0.803 56.555 57.345 0.022 0.000 1.199 217 W CB 1.291 30.659 29.460 -0.154 0.000 1.349 217 W HN 0.739 nan 8.180 nan 0.000 0.557 218 Y N 1.406 121.588 120.300 -0.196 0.000 0.000 218 Y HA 0.497 5.047 4.550 0.000 0.000 0.000 218 Y C 0.768 176.874 175.900 0.344 0.000 0.000 218 Y CA 0.778 58.856 58.100 -0.038 0.000 0.000 218 Y CB -0.125 38.169 38.460 -0.278 0.000 0.000 218 Y HN 0.290 nan 8.280 nan 0.000 0.000 219 A N -0.055 123.030 122.820 0.443 0.000 2.055 219 A HA 0.355 4.676 4.320 0.000 0.000 0.205 219 A C -0.022 177.743 177.584 0.303 0.000 1.235 219 A CA 0.342 52.659 52.037 0.467 0.000 0.822 219 A CB -0.299 18.888 19.000 0.311 0.000 0.903 219 A HN 0.451 nan 8.150 nan 0.000 0.473 220 V N 2.843 122.922 119.914 0.274 0.000 2.334 220 V HA 0.319 4.439 4.120 0.000 0.000 0.281 220 V C -2.640 173.463 176.094 0.015 0.000 1.016 220 V CA -1.734 60.597 62.300 0.051 0.000 0.832 220 V CB 1.466 33.302 31.823 0.022 0.000 0.999 220 V HN 0.285 nan 8.190 nan 0.000 0.439 221 P HA 0.314 nan 4.420 nan 0.000 0.256 221 P C -0.307 176.841 177.300 -0.254 0.000 1.689 221 P CA 0.041 63.038 63.100 -0.171 0.000 1.124 221 P CB 0.233 31.625 31.700 -0.513 0.000 1.766 222 I N 4.686 125.087 120.570 -0.282 0.000 2.257 222 I HA 0.221 4.391 4.170 0.000 0.000 0.290 222 I C 1.169 176.968 176.117 -0.531 0.000 1.137 222 I CA -0.833 60.200 61.300 -0.445 0.000 1.255 222 I CB 0.142 37.847 38.000 -0.490 0.000 1.485 222 I HN 0.092 nan 8.210 nan 0.000 0.534 223 I N 4.458 124.606 120.570 -0.703 0.000 2.775 223 I HA -0.096 4.074 4.170 0.000 0.000 0.290 223 I C 1.085 176.715 176.117 -0.813 0.000 1.203 223 I CA 0.825 61.637 61.300 -0.813 0.000 1.433 223 I CB 0.673 38.085 38.000 -0.981 0.000 1.354 223 I HN 0.656 nan 8.210 nan 0.000 0.579 224 S N 0.929 116.292 115.700 -0.561 0.000 2.893 224 S HA 0.100 4.570 4.470 0.000 0.000 0.258 224 S C 0.159 174.641 174.600 -0.197 0.000 1.034 224 S CA -0.450 57.540 58.200 -0.351 0.000 1.167 224 S CB -0.096 62.953 63.200 -0.253 0.000 1.137 224 S HN 0.801 nan 8.310 nan 0.000 0.650 225 D N 0.939 121.214 120.400 -0.209 0.000 2.501 225 D HA 0.309 4.949 4.640 0.000 0.000 0.226 225 D C 0.201 176.515 176.300 0.024 0.000 1.198 225 D CA -0.317 53.645 54.000 -0.063 0.000 0.830 225 D CB -0.082 40.697 40.800 -0.035 0.000 1.014 225 D HN 0.327 nan 8.370 nan 0.000 0.496 226 M N 0.766 120.397 119.600 0.051 0.000 2.472 226 M HA 0.387 4.868 4.480 0.000 0.000 0.331 226 M C -0.398 176.052 176.300 0.251 0.000 1.170 226 M CA -1.118 54.287 55.300 0.175 0.000 1.009 226 M CB 2.185 34.937 32.600 0.253 0.000 1.672 226 M HN 0.194 nan 8.290 nan 0.000 0.453 227 C N 3.604 123.050 119.300 0.244 0.000 2.251 227 C HA 0.606 5.066 4.460 0.000 0.000 0.323 227 C C 0.034 175.164 174.990 0.233 0.000 1.241 227 C CA -1.284 57.863 59.018 0.214 0.000 1.601 227 C CB -0.437 27.375 27.740 0.121 0.000 2.251 227 C HN 0.793 nan 8.230 nan 0.000 0.488 228 L N 1.499 122.812 121.223 0.151 0.000 2.385 228 L HA 0.466 4.806 4.340 0.000 0.000 0.285 228 L C 0.227 177.093 176.870 -0.007 0.000 1.125 228 L CA -0.193 54.565 54.840 -0.137 0.000 0.890 228 L CB -1.061 40.551 42.059 -0.745 0.000 1.251 228 L HN 0.973 nan 8.230 nan 0.000 0.445 229 E N 4.292 124.534 120.200 0.070 0.000 2.398 229 E HA 0.473 4.823 4.350 0.000 0.000 0.263 229 E C -0.856 175.701 176.600 -0.072 0.000 1.046 229 E CA -0.180 56.197 56.400 -0.038 0.000 0.908 229 E CB 0.968 30.597 29.700 -0.118 0.000 0.963 229 E HN 0.826 nan 8.360 nan 0.000 0.431 230 I N 2.129 122.600 120.570 -0.164 0.000 2.735 230 I HA 0.299 4.469 4.170 0.000 0.000 0.287 230 I C -0.183 175.679 176.117 -0.425 0.000 1.452 230 I CA 0.158 61.279 61.300 -0.299 0.000 1.061 230 I CB 1.069 38.960 38.000 -0.182 0.000 1.383 230 I HN 0.763 nan 8.210 nan 0.000 0.425 231 G N 5.054 113.547 108.800 -0.511 0.000 2.393 231 G HA2 -0.061 3.899 3.960 0.000 0.000 0.299 231 G HA3 -0.061 3.899 3.960 0.000 0.000 0.299 231 G C 1.082 175.912 174.900 -0.117 0.000 0.990 231 G CA 0.647 45.638 45.100 -0.181 0.000 1.118 231 G HN 2.334 nan 8.290 nan 0.000 0.513 232 G N -1.446 107.275 108.800 -0.131 0.000 2.244 232 G HA2 -0.251 3.709 3.960 0.000 0.000 0.274 232 G HA3 -0.251 3.709 3.960 0.000 0.000 0.274 232 G C 0.367 175.110 174.900 -0.263 0.000 1.002 232 G CA 0.675 45.684 45.100 -0.152 0.000 0.740 232 G HN 1.151 nan 8.290 nan 0.000 0.516 233 I N 0.593 120.928 120.570 -0.391 0.000 2.355 233 I HA 0.537 4.707 4.170 0.000 0.000 0.288 233 I C 0.871 176.616 176.117 -0.619 0.000 0.999 233 I CA -0.816 60.129 61.300 -0.591 0.000 1.163 233 I CB 1.049 38.513 38.000 -0.893 0.000 1.316 233 I HN 0.293 nan 8.210 nan 0.000 0.454 234 R N 6.093 126.306 120.500 -0.478 0.000 2.235 234 R HA 0.320 4.661 4.340 0.000 0.000 0.338 234 R C -0.971 175.160 176.300 -0.282 0.000 1.087 234 R CA -0.321 55.593 56.100 -0.310 0.000 0.948 234 R CB -0.569 29.604 30.300 -0.212 0.000 1.099 234 R HN 0.486 nan 8.270 nan 0.000 0.483 235 Y N 2.852 123.115 120.300 -0.062 0.000 2.735 235 Y HA 0.128 4.679 4.550 0.001 0.000 0.354 235 Y C 1.654 177.577 175.900 0.038 0.000 1.288 235 Y CA -0.543 57.552 58.100 -0.008 0.000 1.836 235 Y CB 0.416 38.876 38.460 0.000 0.000 1.920 235 Y HN 0.743 nan 8.280 nan 0.000 0.438 236 M N 1.150 120.821 119.600 0.117 0.000 2.254 236 M HA -0.276 4.204 4.480 0.000 0.000 0.252 236 M C 0.905 177.286 176.300 0.134 0.000 1.094 236 M CA 1.605 56.964 55.300 0.098 0.000 1.053 236 M CB -0.043 32.588 32.600 0.052 0.000 1.371 236 M HN 0.494 nan 8.290 nan 0.000 0.405 237 A N -0.679 122.252 122.820 0.186 0.000 2.304 237 A HA 0.785 5.105 4.320 0.000 0.000 0.314 237 A C -0.474 177.315 177.584 0.341 0.000 1.187 237 A CA -0.070 52.090 52.037 0.204 0.000 0.810 237 A CB 0.744 19.793 19.000 0.081 0.000 1.183 237 A HN 0.498 nan 8.150 nan 0.000 0.487 238 A N 4.004 126.995 122.820 0.286 0.000 2.503 238 A HA 0.576 4.896 4.320 0.000 0.000 0.275 238 A C -3.231 174.493 177.584 0.234 0.000 1.339 238 A CA -0.709 51.478 52.037 0.250 0.000 0.984 238 A CB 0.055 19.176 19.000 0.201 0.000 1.382 238 A HN 0.485 nan 8.150 nan 0.000 0.609 239 P HA 0.512 nan 4.420 nan 0.000 0.268 239 P C -0.576 176.746 177.300 0.037 0.000 1.205 239 P CA 0.382 63.436 63.100 -0.077 0.000 0.771 239 P CB 0.121 31.755 31.700 -0.109 0.000 0.858 240 F N 0.465 120.335 119.950 -0.133 0.000 2.631 240 F HA 0.725 5.252 4.527 0.000 0.000 0.308 240 F C -0.904 174.710 175.800 -0.309 0.000 1.097 240 F CA -1.084 56.813 58.000 -0.172 0.000 0.952 240 F CB 1.535 40.328 39.000 -0.346 0.000 1.307 240 F HN 0.318 nan 8.300 nan 0.000 0.450 241 N N 0.111 118.799 118.700 -0.020 0.000 3.039 241 N HA 0.796 5.536 4.740 0.000 0.000 0.257 241 N C -1.212 174.115 175.510 -0.306 0.000 1.497 241 N CA -0.315 52.632 53.050 -0.173 0.000 0.861 241 N CB 1.614 39.999 38.487 -0.171 0.000 1.479 241 N HN 1.152 nan 8.380 nan 0.000 0.547 242 G N -1.415 107.180 108.800 -0.343 0.000 2.896 242 G HA2 0.583 4.544 3.960 0.000 0.000 0.247 242 G HA3 0.583 4.544 3.960 0.000 0.000 0.247 242 G C -2.107 172.605 174.900 -0.312 0.000 1.187 242 G CA -0.631 44.160 45.100 -0.515 0.000 0.837 242 G HN 0.652 nan 8.290 nan 0.000 0.559 243 W N -0.286 120.940 121.300 -0.123 0.000 2.656 243 W HA 0.798 5.458 4.660 0.000 0.000 0.327 243 W C -0.552 175.921 176.519 -0.077 0.000 1.041 243 W CA -2.560 54.720 57.345 -0.109 0.000 1.229 243 W CB -0.157 29.262 29.460 -0.069 0.000 1.397 243 W HN 0.604 nan 8.180 nan 0.000 0.479 244 Y N 2.720 123.101 120.300 0.135 0.000 2.748 244 Y HA -0.077 4.473 4.550 0.000 0.000 0.352 244 Y C 0.980 176.893 175.900 0.022 0.000 1.274 244 Y CA 0.187 58.275 58.100 -0.021 0.000 1.472 244 Y CB 0.573 38.886 38.460 -0.245 0.000 1.350 244 Y HN 0.534 nan 8.280 nan 0.000 0.672 245 M N 1.119 120.831 119.600 0.187 0.000 2.259 245 M HA 0.326 4.807 4.480 0.000 0.000 0.304 245 M C 0.892 177.135 176.300 -0.095 0.000 1.019 245 M CA -0.112 55.233 55.300 0.076 0.000 0.922 245 M CB 1.667 34.322 32.600 0.091 0.000 1.600 245 M HN 0.810 nan 8.290 nan 0.000 0.433 246 G N 1.804 110.545 108.800 -0.099 0.000 2.679 246 G HA2 -0.391 3.569 3.960 0.000 0.000 0.222 246 G HA3 -0.391 3.569 3.960 0.000 0.000 0.222 246 G C 1.189 175.943 174.900 -0.243 0.000 1.164 246 G CA 2.319 47.318 45.100 -0.167 0.000 0.769 246 G HN 0.911 nan 8.290 nan 0.000 0.610 247 T N -0.416 113.997 114.554 -0.235 0.000 2.607 247 T HA -0.196 4.154 4.350 0.000 0.000 0.267 247 T C 1.993 176.503 174.700 -0.316 0.000 1.049 247 T CA 2.021 63.944 62.100 -0.295 0.000 1.162 247 T CB -0.696 67.974 68.868 -0.330 0.000 0.863 247 T HN 0.553 nan 8.240 nan 0.000 0.424 248 E N 0.847 120.868 120.200 -0.299 0.000 2.164 248 E HA -0.184 4.166 4.350 0.000 0.000 0.206 248 E C 2.209 178.456 176.600 -0.589 0.000 1.032 248 E CA 1.997 58.192 56.400 -0.341 0.000 0.832 248 E CB -0.431 29.131 29.700 -0.229 0.000 0.742 248 E HN 0.657 nan 8.360 nan 0.000 0.460 249 I N -0.590 119.509 120.570 -0.784 0.000 2.364 249 I HA -0.032 4.139 4.170 0.000 0.000 0.241 249 I C 2.359 178.032 176.117 -0.741 0.000 1.082 249 I CA 0.922 61.560 61.300 -1.102 0.000 1.401 249 I CB -0.245 37.012 38.000 -1.237 0.000 1.126 249 I HN 0.083 nan 8.210 nan 0.000 0.429 250 G N -0.140 108.434 108.800 -0.377 0.000 3.026 250 G HA2 0.252 4.213 3.960 0.000 0.000 0.208 250 G HA3 0.252 4.213 3.960 0.000 0.000 0.208 250 G C 1.196 176.055 174.900 -0.069 0.000 1.169 250 G CA 0.737 45.796 45.100 -0.069 0.000 0.788 250 G HN 0.456 nan 8.290 nan 0.000 0.533 251 A N -0.598 122.114 122.820 -0.179 0.000 2.066 251 A HA 0.431 4.751 4.320 0.000 0.000 0.198 251 A C 2.269 179.758 177.584 -0.159 0.000 1.405 251 A CA 0.209 52.154 52.037 -0.152 0.000 0.973 251 A CB 0.373 19.252 19.000 -0.203 0.000 1.026 251 A HN 0.111 nan 8.150 nan 0.000 0.474 252 R N 0.078 120.444 120.500 -0.223 0.000 1.966 252 R HA 0.160 4.500 4.340 0.000 0.000 0.191 252 R C 1.370 177.529 176.300 -0.236 0.000 1.542 252 R CA 0.658 56.626 56.100 -0.220 0.000 1.210 252 R CB -1.164 29.003 30.300 -0.222 0.000 1.039 252 R HN 0.387 nan 8.270 nan 0.000 0.476 253 N N 1.026 119.516 118.700 -0.350 0.000 2.133 253 N HA -0.175 4.565 4.740 0.000 0.000 0.193 253 N C 1.613 177.047 175.510 -0.128 0.000 1.012 253 N CA 1.468 54.292 53.050 -0.377 0.000 0.871 253 N CB -0.226 37.654 38.487 -1.012 0.000 1.011 253 N HN 0.241 nan 8.380 nan 0.000 0.435 254 F N -0.709 119.101 119.950 -0.235 0.000 2.731 254 F HA 0.279 4.806 4.527 0.000 0.000 0.298 254 F C 1.974 177.763 175.800 -0.019 0.000 1.106 254 F CA -0.271 57.676 58.000 -0.089 0.000 1.329 254 F CB 0.478 39.396 39.000 -0.135 0.000 1.100 254 F HN 0.023 nan 8.300 nan 0.000 0.592 255 A N -1.012 121.869 122.820 0.102 0.000 2.013 255 A HA 0.088 4.408 4.320 0.000 0.000 0.204 255 A C 0.354 177.930 177.584 -0.014 0.000 1.262 255 A CA -0.086 51.978 52.037 0.045 0.000 0.800 255 A CB -0.193 18.809 19.000 0.003 0.000 0.909 255 A HN -0.020 nan 8.150 nan 0.000 0.472 256 D N 1.445 121.772 120.400 -0.121 0.000 2.478 256 D HA 0.091 4.731 4.640 0.000 0.000 0.234 256 D C 0.578 176.812 176.300 -0.110 0.000 1.154 256 D CA 0.943 54.819 54.000 -0.207 0.000 0.874 256 D CB 0.514 40.911 40.800 -0.672 0.000 1.198 256 D HN 0.556 nan 8.370 nan 0.000 0.455 257 D N 0.163 120.588 120.400 0.041 0.000 2.264 257 D HA -0.243 4.398 4.640 0.000 0.000 0.208 257 D C 1.547 177.932 176.300 0.142 0.000 0.966 257 D CA 1.161 55.224 54.000 0.106 0.000 0.864 257 D CB -0.481 40.402 40.800 0.139 0.000 0.933 257 D HN 0.657 nan 8.370 nan 0.000 0.499 258 Y N -0.852 119.466 120.300 0.031 0.000 2.448 258 Y HA 0.381 4.931 4.550 0.001 0.000 0.289 258 Y C 1.600 177.506 175.900 0.010 0.000 1.114 258 Y CA -0.538 57.571 58.100 0.015 0.000 1.235 258 Y CB -0.356 38.110 38.460 0.011 0.000 1.045 258 Y HN -0.257 nan 8.280 nan 0.000 0.554 259 R N 0.503 120.805 120.500 -0.331 0.000 0.943 259 R HA 0.032 4.372 4.340 0.000 0.000 0.056 259 R C 0.969 177.236 176.300 -0.055 0.000 0.484 259 R CA 0.298 56.297 56.100 -0.169 0.000 2.133 259 R CB -1.333 28.876 30.300 -0.151 0.000 0.539 259 R HN 0.321 nan 8.270 nan 0.000 0.790 260 Y N 1.199 121.556 120.300 0.094 0.000 2.477 260 Y HA 0.079 4.630 4.550 0.001 0.000 0.303 260 Y C 0.486 176.432 175.900 0.077 0.000 1.202 260 Y CA 0.071 58.258 58.100 0.144 0.000 1.282 260 Y CB -0.997 37.660 38.460 0.329 0.000 1.071 260 Y HN 0.496 nan 8.280 nan 0.000 0.510 261 N N 0.743 119.532 118.700 0.148 0.000 2.722 261 N HA -0.247 4.493 4.740 0.000 0.000 0.274 261 N C 0.732 176.306 175.510 0.107 0.000 0.987 261 N CA -0.202 52.911 53.050 0.104 0.000 0.817 261 N CB -0.306 38.227 38.487 0.077 0.000 0.921 261 N HN 0.250 nan 8.380 nan 0.000 0.565 262 M N 0.705 120.373 119.600 0.113 0.000 2.428 262 M HA 0.082 4.562 4.480 0.000 0.000 0.239 262 M C 1.679 178.017 176.300 0.065 0.000 1.121 262 M CA 0.061 55.391 55.300 0.050 0.000 1.019 262 M CB -0.099 32.477 32.600 -0.040 0.000 1.485 262 M HN 0.462 nan 8.290 nan 0.000 0.484 263 L N 1.285 122.579 121.223 0.118 0.000 1.994 263 L HA -0.143 4.197 4.340 0.000 0.000 0.208 263 L C -0.254 176.772 176.870 0.260 0.000 1.071 263 L CA 1.747 56.693 54.840 0.177 0.000 0.745 263 L CB -1.837 40.320 42.059 0.163 0.000 0.892 263 L HN 0.151 nan 8.230 nan 0.000 0.431 264 P HA -0.196 nan 4.420 nan 0.000 0.216 264 P C 1.107 178.415 177.300 0.014 0.000 1.150 264 P CA 1.417 64.619 63.100 0.170 0.000 0.837 264 P CB -0.024 31.740 31.700 0.106 0.000 0.786 265 K N -0.101 120.300 120.400 0.003 0.000 2.062 265 K HA 0.004 4.324 4.320 0.000 0.000 0.205 265 K C 2.240 178.796 176.600 -0.074 0.000 1.051 265 K CA 0.700 56.953 56.287 -0.055 0.000 0.941 265 K CB -1.357 31.096 32.500 -0.078 0.000 0.719 265 K HN 0.095 nan 8.250 nan 0.000 0.440 266 V N 1.613 121.491 119.914 -0.060 0.000 2.407 266 V HA -0.211 3.909 4.120 0.000 0.000 0.248 266 V C 2.449 178.549 176.094 0.009 0.000 1.055 266 V CA 1.885 64.142 62.300 -0.072 0.000 1.049 266 V CB -0.924 30.915 31.823 0.025 0.000 0.662 266 V HN 0.228 nan 8.190 nan 0.000 0.455 267 A N -0.542 122.322 122.820 0.073 0.000 1.902 267 A HA -0.217 4.103 4.320 0.000 0.000 0.217 267 A C 2.549 180.111 177.584 -0.036 0.000 1.181 267 A CA 2.222 54.314 52.037 0.091 0.000 0.623 267 A CB -0.774 18.359 19.000 0.223 0.000 0.818 267 A HN 0.458 nan 8.150 nan 0.000 0.443 268 S N -1.050 114.602 115.700 -0.080 0.000 2.344 268 S HA -0.200 4.271 4.470 0.000 0.000 0.217 268 S C 2.029 176.587 174.600 -0.070 0.000 1.033 268 S CA 1.559 59.698 58.200 -0.102 0.000 1.017 268 S CB -0.868 62.273 63.200 -0.099 0.000 0.941 268 S HN 0.664 nan 8.310 nan 0.000 0.430 269 C N 2.628 121.901 119.300 -0.046 0.000 2.396 269 C HA -0.113 4.348 4.460 0.000 0.000 0.277 269 C C 2.434 177.365 174.990 -0.099 0.000 1.231 269 C CA 1.396 60.419 59.018 0.009 0.000 1.775 269 C CB -1.535 26.209 27.740 0.007 0.000 2.036 269 C HN 0.810 nan 8.230 nan 0.000 0.484 270 M N 0.715 120.209 119.600 -0.176 0.000 2.686 270 M HA 0.300 4.780 4.480 0.000 0.000 0.216 270 M C 1.057 177.214 176.300 -0.239 0.000 1.221 270 M CA 0.837 55.925 55.300 -0.353 0.000 0.992 270 M CB -0.772 31.615 32.600 -0.356 0.000 1.739 270 M HN 0.298 nan 8.290 nan 0.000 0.461 271 G N 2.186 110.886 108.800 -0.167 0.000 2.422 271 G HA2 -0.229 3.732 3.960 0.000 0.000 0.301 271 G HA3 -0.229 3.732 3.960 0.000 0.000 0.301 271 G C -0.153 174.692 174.900 -0.091 0.000 0.981 271 G CA 0.469 45.492 45.100 -0.129 0.000 0.994 271 G HN 0.622 nan 8.290 nan 0.000 0.514 272 L N -0.835 120.346 121.223 -0.070 0.000 2.544 272 L HA 0.522 4.862 4.340 0.000 0.000 0.256 272 L C 0.598 177.423 176.870 -0.075 0.000 1.097 272 L CA -0.904 53.919 54.840 -0.027 0.000 0.812 272 L CB 0.808 42.900 42.059 0.054 0.000 1.440 272 L HN 0.290 nan 8.230 nan 0.000 0.496 273 D N -0.124 120.245 120.400 -0.051 0.000 2.412 273 D HA 0.060 4.700 4.640 0.000 0.000 0.224 273 D C -0.015 176.114 176.300 -0.286 0.000 1.093 273 D CA -0.314 53.615 54.000 -0.119 0.000 0.850 273 D CB 1.402 42.177 40.800 -0.042 0.000 1.046 273 D HN 0.597 nan 8.370 nan 0.000 0.507 274 T N 1.011 115.233 114.554 -0.553 0.000 3.330 274 T HA 0.162 4.513 4.350 0.000 0.000 0.249 274 T C 0.580 174.920 174.700 -0.601 0.000 0.980 274 T CA -0.569 60.824 62.100 -1.178 0.000 0.920 274 T CB -0.231 67.897 68.868 -1.235 0.000 1.065 274 T HN 0.258 nan 8.240 nan 0.000 0.588 275 N N 0.890 119.430 118.700 -0.265 0.000 2.205 275 N HA 0.167 4.907 4.740 0.000 0.000 0.201 275 N C -0.223 175.307 175.510 0.034 0.000 1.128 275 N CA 0.003 52.999 53.050 -0.090 0.000 0.867 275 N CB 1.114 39.560 38.487 -0.068 0.000 0.996 275 N HN 0.435 nan 8.380 nan 0.000 0.503 276 S N -0.147 115.631 115.700 0.129 0.000 2.562 276 S HA 0.304 4.774 4.470 0.000 0.000 0.274 276 S C 0.025 174.842 174.600 0.361 0.000 1.160 276 S CA -0.598 57.727 58.200 0.208 0.000 0.933 276 S CB 0.721 63.994 63.200 0.122 0.000 1.100 276 S HN -0.063 nan 8.310 nan 0.000 0.468 277 N N 2.807 121.662 118.700 0.257 0.000 2.331 277 N HA 0.023 4.763 4.740 0.000 0.000 0.180 277 N C 1.683 177.235 175.510 0.070 0.000 1.019 277 N CA 1.225 54.350 53.050 0.125 0.000 0.881 277 N CB -0.422 38.091 38.487 0.044 0.000 0.972 277 N HN 0.730 nan 8.380 nan 0.000 0.435 278 A N -0.047 122.824 122.820 0.083 0.000 2.259 278 A HA -0.014 4.306 4.320 0.000 0.000 0.212 278 A C 2.047 179.673 177.584 0.069 0.000 1.178 278 A CA 1.036 53.108 52.037 0.058 0.000 0.734 278 A CB -0.344 18.688 19.000 0.053 0.000 0.774 278 A HN 0.228 nan 8.150 nan 0.000 0.481 279 S N -0.668 115.100 115.700 0.112 0.000 2.539 279 S HA 0.280 4.750 4.470 0.000 0.000 0.221 279 S C 0.608 175.281 174.600 0.122 0.000 0.987 279 S CA -0.095 58.184 58.200 0.131 0.000 0.929 279 S CB -0.751 62.564 63.200 0.190 0.000 0.832 279 S HN 0.618 nan 8.310 nan 0.000 0.492 280 L N 2.416 123.668 121.223 0.049 0.000 3.879 280 L HA -0.186 4.155 4.340 0.000 0.000 0.481 280 L C 1.305 178.180 176.870 0.009 0.000 1.232 280 L CA 0.524 55.340 54.840 -0.040 0.000 0.736 280 L CB -1.868 40.185 42.059 -0.010 0.000 1.511 280 L HN 0.707 nan 8.230 nan 0.000 0.830 281 W N -0.246 121.069 121.300 0.025 0.000 2.518 281 W HA -0.027 4.633 4.660 0.000 0.000 0.273 281 W C 1.631 178.170 176.519 0.033 0.000 1.247 281 W CA 0.730 58.090 57.345 0.026 0.000 1.288 281 W CB -0.490 28.980 29.460 0.017 0.000 1.107 281 W HN 0.302 nan 8.180 nan 0.000 0.586 282 K N 1.263 121.246 120.400 -0.695 0.000 2.057 282 K HA -0.133 4.187 4.320 0.000 0.000 0.206 282 K C 1.456 177.946 176.600 -0.184 0.000 1.050 282 K CA 2.245 58.169 56.287 -0.606 0.000 0.935 282 K CB -0.296 31.691 32.500 -0.856 0.000 0.715 282 K HN 0.068 nan 8.250 nan 0.000 0.439 283 D N 1.007 121.311 120.400 -0.160 0.000 2.078 283 D HA -0.129 4.511 4.640 0.000 0.000 0.193 283 D C 1.664 177.982 176.300 0.031 0.000 0.990 283 D CA 1.222 55.189 54.000 -0.055 0.000 0.827 283 D CB -0.007 40.761 40.800 -0.053 0.000 0.975 283 D HN 0.060 nan 8.370 nan 0.000 0.451 284 K N 0.485 120.927 120.400 0.070 0.000 2.113 284 K HA -0.150 4.170 4.320 0.000 0.000 0.208 284 K C 2.137 178.835 176.600 0.164 0.000 1.047 284 K CA 1.220 57.581 56.287 0.123 0.000 0.928 284 K CB -0.178 32.408 32.500 0.144 0.000 0.716 284 K HN 0.114 nan 8.250 nan 0.000 0.446 285 A N 1.275 124.198 122.820 0.172 0.000 1.898 285 A HA -0.120 4.200 4.320 0.000 0.000 0.216 285 A C 2.084 179.775 177.584 0.178 0.000 1.181 285 A CA 0.989 53.151 52.037 0.210 0.000 0.620 285 A CB -0.520 18.625 19.000 0.241 0.000 0.819 285 A HN 0.208 nan 8.150 nan 0.000 0.442 286 L N -0.190 121.095 121.223 0.104 0.000 1.989 286 L HA -0.195 4.145 4.340 0.000 0.000 0.211 286 L C 2.573 179.499 176.870 0.093 0.000 1.071 286 L CA 1.701 56.584 54.840 0.072 0.000 0.749 286 L CB -0.437 41.629 42.059 0.011 0.000 0.890 286 L HN 0.304 nan 8.230 nan 0.000 0.431 287 V N -0.310 119.665 119.914 0.101 0.000 2.214 287 V HA -0.311 3.809 4.120 0.000 0.000 0.247 287 V C 2.446 178.621 176.094 0.135 0.000 1.051 287 V CA 1.946 64.312 62.300 0.110 0.000 1.003 287 V CB -0.724 31.165 31.823 0.111 0.000 0.635 287 V HN 0.446 nan 8.190 nan 0.000 0.447 288 E N -0.145 120.185 120.200 0.216 0.000 2.219 288 E HA -0.226 4.125 4.350 0.000 0.000 0.198 288 E C 1.936 178.708 176.600 0.286 0.000 0.998 288 E CA 1.172 57.773 56.400 0.336 0.000 0.818 288 E CB -0.477 29.557 29.700 0.557 0.000 0.741 288 E HN 0.524 nan 8.360 nan 0.000 0.477 289 L N 1.010 122.394 121.223 0.268 0.000 2.131 289 L HA 0.005 4.345 4.340 0.000 0.000 0.206 289 L C 1.555 178.481 176.870 0.094 0.000 1.087 289 L CA 1.442 56.445 54.840 0.271 0.000 0.767 289 L CB -0.365 41.861 42.059 0.278 0.000 0.917 289 L HN -0.044 nan 8.230 nan 0.000 0.441 290 N N 0.057 118.794 118.700 0.061 0.000 2.171 290 N HA -0.111 4.630 4.740 0.000 0.000 0.184 290 N C 1.838 177.332 175.510 -0.026 0.000 1.021 290 N CA 1.497 54.555 53.050 0.012 0.000 0.854 290 N CB -0.094 38.404 38.487 0.017 0.000 0.994 290 N HN 0.283 nan 8.380 nan 0.000 0.426 291 I N 1.825 122.362 120.570 -0.054 0.000 2.264 291 I HA -0.187 3.983 4.170 0.000 0.000 0.248 291 I C 2.336 178.291 176.117 -0.271 0.000 1.111 291 I CA 0.599 61.818 61.300 -0.135 0.000 1.382 291 I CB -1.346 36.545 38.000 -0.182 0.000 1.060 291 I HN 0.009 nan 8.210 nan 0.000 0.418 292 A N 0.271 122.835 122.820 -0.427 0.000 1.978 292 A HA -0.139 4.181 4.320 0.000 0.000 0.220 292 A C 2.548 180.011 177.584 -0.201 0.000 1.170 292 A CA 1.710 53.388 52.037 -0.598 0.000 0.636 292 A CB -0.728 17.681 19.000 -0.986 0.000 0.810 292 A HN 0.261 nan 8.150 nan 0.000 0.448 293 V N -0.161 119.722 119.914 -0.053 0.000 2.256 293 V HA -0.187 3.934 4.120 0.000 0.000 0.240 293 V C 2.516 178.689 176.094 0.130 0.000 1.036 293 V CA 1.710 64.067 62.300 0.096 0.000 1.008 293 V CB -0.795 31.053 31.823 0.041 0.000 0.648 293 V HN 0.571 nan 8.190 nan 0.000 0.453 294 L N -0.890 120.361 121.223 0.048 0.000 2.081 294 L HA -0.281 4.059 4.340 0.000 0.000 0.212 294 L C 2.498 179.406 176.870 0.063 0.000 1.080 294 L CA 2.302 57.172 54.840 0.048 0.000 0.754 294 L CB -0.751 41.325 42.059 0.029 0.000 0.893 294 L HN 0.486 nan 8.230 nan 0.000 0.433 295 Y N 0.575 120.827 120.300 -0.080 0.000 2.089 295 Y HA -0.281 4.269 4.550 0.001 0.000 0.282 295 Y C 2.801 178.671 175.900 -0.050 0.000 1.139 295 Y CA 1.873 59.914 58.100 -0.097 0.000 1.123 295 Y CB -0.384 37.958 38.460 -0.197 0.000 0.980 295 Y HN 0.067 nan 8.280 nan 0.000 0.493 296 S N -0.191 115.470 115.700 -0.065 0.000 2.359 296 S HA -0.275 4.195 4.470 0.000 0.000 0.222 296 S C 1.796 176.307 174.600 -0.148 0.000 1.038 296 S CA 1.815 59.934 58.200 -0.135 0.000 1.051 296 S CB -1.117 62.078 63.200 -0.007 0.000 0.944 296 S HN 0.610 nan 8.310 nan 0.000 0.433 297 Y N 1.764 122.008 120.300 -0.093 0.000 2.241 297 Y HA -0.193 4.357 4.550 0.000 0.000 0.286 297 Y C 2.479 178.316 175.900 -0.105 0.000 1.166 297 Y CA 1.662 59.724 58.100 -0.064 0.000 1.203 297 Y CB -0.131 38.315 38.460 -0.024 0.000 0.977 297 Y HN 0.193 nan 8.280 nan 0.000 0.529 298 K N 0.752 121.134 120.400 -0.031 0.000 2.116 298 K HA -0.150 4.170 4.320 0.000 0.000 0.203 298 K C 2.024 178.519 176.600 -0.176 0.000 1.052 298 K CA 0.968 57.194 56.287 -0.101 0.000 0.952 298 K CB -0.091 32.338 32.500 -0.119 0.000 0.729 298 K HN 0.086 nan 8.250 nan 0.000 0.446 299 K N -0.146 120.073 120.400 -0.302 0.000 2.574 299 K HA -0.033 4.287 4.320 0.000 0.000 0.193 299 K C 0.925 177.421 176.600 -0.174 0.000 1.035 299 K CA 0.831 56.942 56.287 -0.294 0.000 0.982 299 K CB 0.164 32.393 32.500 -0.451 0.000 0.795 299 K HN 0.217 nan 8.250 nan 0.000 0.491 300 A N -0.198 122.534 122.820 -0.147 0.000 2.324 300 A HA 0.293 4.614 4.320 0.000 0.000 0.220 300 A C 1.004 178.546 177.584 -0.069 0.000 1.209 300 A CA 0.488 52.460 52.037 -0.109 0.000 0.918 300 A CB 0.393 19.305 19.000 -0.146 0.000 0.959 300 A HN 0.348 nan 8.150 nan 0.000 0.507 301 G N -0.433 108.330 108.800 -0.062 0.000 2.248 301 G HA2 -0.104 3.856 3.960 0.000 0.000 0.263 301 G HA3 -0.104 3.856 3.960 0.000 0.000 0.263 301 G C -0.184 174.711 174.900 -0.009 0.000 1.082 301 G CA 0.162 45.238 45.100 -0.040 0.000 0.863 301 G HN 0.915 nan 8.290 nan 0.000 0.495 302 V N 0.703 120.635 119.914 0.031 0.000 2.417 302 V HA 0.572 4.693 4.120 0.000 0.000 0.291 302 V C 1.000 177.154 176.094 0.099 0.000 1.024 302 V CA -0.390 61.975 62.300 0.107 0.000 0.861 302 V CB 1.798 33.753 31.823 0.220 0.000 0.985 302 V HN 0.476 nan 8.190 nan 0.000 0.436 303 S N 5.288 121.008 115.700 0.033 0.000 2.563 303 S HA 0.420 4.890 4.470 0.000 0.000 0.294 303 S C -0.231 174.338 174.600 -0.052 0.000 1.279 303 S CA 0.405 58.532 58.200 -0.123 0.000 1.069 303 S CB -0.088 63.050 63.200 -0.104 0.000 0.828 303 S HN 0.662 nan 8.310 nan 0.000 0.497 304 I N 2.815 123.246 120.570 -0.232 0.000 2.739 304 I HA 0.362 4.532 4.170 0.000 0.000 0.288 304 I C -1.324 174.704 176.117 -0.148 0.000 1.582 304 I CA -0.522 60.709 61.300 -0.115 0.000 1.035 304 I CB 1.200 39.119 38.000 -0.135 0.000 1.432 304 I HN 0.485 nan 8.210 nan 0.000 0.444 305 V N 6.791 126.704 119.914 -0.002 0.000 2.769 305 V HA 0.607 4.727 4.120 0.000 0.000 0.312 305 V C -1.003 175.147 176.094 0.094 0.000 1.058 305 V CA -0.217 62.113 62.300 0.050 0.000 0.952 305 V CB 2.033 33.975 31.823 0.200 0.000 1.019 305 V HN 0.802 nan 8.190 nan 0.000 0.445 306 D N 4.194 124.656 120.400 0.103 0.000 2.229 306 D HA 0.203 4.843 4.640 0.000 0.000 0.249 306 D C 0.794 177.199 176.300 0.174 0.000 1.027 306 D CA -0.264 53.837 54.000 0.168 0.000 0.923 306 D CB 1.092 41.961 40.800 0.115 0.000 1.174 306 D HN 0.792 nan 8.370 nan 0.000 0.443 307 H N 1.490 120.559 119.070 -0.002 0.000 2.387 307 H HA -0.159 4.398 4.556 0.000 0.000 0.299 307 H C 1.123 176.389 175.328 -0.103 0.000 1.099 307 H CA 1.573 57.567 56.048 -0.091 0.000 1.315 307 H CB -1.132 28.499 29.762 -0.218 0.000 1.380 307 H HN 0.585 nan 8.280 nan 0.000 0.513 308 H N 0.585 119.468 119.070 -0.312 0.000 2.321 308 H HA -0.045 4.511 4.556 0.000 0.000 0.300 308 H C 2.198 177.529 175.328 0.004 0.000 1.087 308 H CA 2.233 58.194 56.048 -0.145 0.000 1.319 308 H CB -0.155 29.473 29.762 -0.223 0.000 1.379 308 H HN 0.334 nan 8.280 nan 0.000 0.501 309 T N 0.280 114.908 114.554 0.123 0.000 2.821 309 T HA -0.109 4.241 4.350 0.000 0.000 0.267 309 T C 2.328 177.134 174.700 0.178 0.000 1.046 309 T CA 0.998 63.178 62.100 0.133 0.000 1.139 309 T CB -0.424 68.510 68.868 0.109 0.000 0.871 309 T HN 0.484 nan 8.240 nan 0.000 0.454 310 A N 1.701 124.631 122.820 0.184 0.000 1.845 310 A HA 0.126 4.446 4.320 0.000 0.000 0.215 310 A C 2.664 180.402 177.584 0.256 0.000 1.195 310 A CA 1.887 54.064 52.037 0.234 0.000 0.616 310 A CB -1.260 17.860 19.000 0.201 0.000 0.832 310 A HN 0.495 nan 8.150 nan 0.000 0.443 311 A N -0.984 121.971 122.820 0.225 0.000 1.978 311 A HA -0.173 4.147 4.320 0.000 0.000 0.220 311 A C 2.232 180.077 177.584 0.435 0.000 1.170 311 A CA 1.806 54.044 52.037 0.335 0.000 0.636 311 A CB -0.504 18.645 19.000 0.249 0.000 0.810 311 A HN 0.367 nan 8.150 nan 0.000 0.448 312 R N 0.228 120.894 120.500 0.278 0.000 2.082 312 R HA -0.156 4.184 4.340 0.000 0.000 0.234 312 R C 2.276 178.677 176.300 0.169 0.000 1.136 312 R CA 2.215 58.425 56.100 0.183 0.000 0.935 312 R CB -0.929 29.453 30.300 0.138 0.000 0.842 312 R HN 0.792 nan 8.270 nan 0.000 0.430 313 Q N -0.934 118.990 119.800 0.205 0.000 2.061 313 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 313 Q C 2.032 178.168 176.000 0.227 0.000 0.984 313 Q CA 1.706 57.612 55.803 0.171 0.000 0.846 313 Q CB -0.483 28.382 28.738 0.211 0.000 0.902 313 Q HN 0.253 nan 8.270 nan 0.000 0.421 314 F N 2.163 122.220 119.950 0.180 0.000 2.154 314 F HA -0.273 4.254 4.527 0.000 0.000 0.301 314 F C 2.451 178.432 175.800 0.302 0.000 1.087 314 F CA 2.063 60.207 58.000 0.239 0.000 1.274 314 F CB -0.354 38.788 39.000 0.236 0.000 1.009 314 F HN 0.089 nan 8.300 nan 0.000 0.485 315 Q N 0.158 120.070 119.800 0.187 0.000 2.124 315 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 315 Q C 2.190 178.116 176.000 -0.123 0.000 0.977 315 Q CA 1.853 57.575 55.803 -0.134 0.000 0.850 315 Q CB -0.221 28.187 28.738 -0.551 0.000 0.901 315 Q HN 0.575 nan 8.270 nan 0.000 0.429 316 L N -0.246 120.954 121.223 -0.038 0.000 2.056 316 L HA -0.130 4.211 4.340 0.000 0.000 0.207 316 L C 2.390 179.244 176.870 -0.027 0.000 1.078 316 L CA 0.994 55.811 54.840 -0.038 0.000 0.749 316 L CB -0.593 41.455 42.059 -0.018 0.000 0.901 316 L HN 0.294 nan 8.230 nan 0.000 0.433 317 F N 1.304 121.165 119.950 -0.148 0.000 2.202 317 F HA -0.231 4.296 4.527 0.000 0.000 0.301 317 F C 2.297 177.976 175.800 -0.202 0.000 1.082 317 F CA 1.589 59.498 58.000 -0.151 0.000 1.313 317 F CB -0.198 38.720 39.000 -0.138 0.000 1.024 317 F HN 0.108 nan 8.300 nan 0.000 0.495 318 E N -0.449 119.543 120.200 -0.346 0.000 2.028 318 E HA -0.230 4.120 4.350 0.000 0.000 0.191 318 E C 2.248 178.665 176.600 -0.304 0.000 0.988 318 E CA 1.077 57.238 56.400 -0.399 0.000 0.799 318 E CB -0.340 29.214 29.700 -0.242 0.000 0.755 318 E HN 0.395 nan 8.360 nan 0.000 0.447 319 Q N 0.981 120.661 119.800 -0.200 0.000 1.956 319 Q HA -0.243 4.098 4.340 0.000 0.000 0.208 319 Q C 2.164 178.070 176.000 -0.157 0.000 0.998 319 Q CA 1.744 57.458 55.803 -0.147 0.000 0.855 319 Q CB -0.425 28.252 28.738 -0.102 0.000 0.928 319 Q HN 0.384 nan 8.270 nan 0.000 0.418 320 Q N -0.083 119.632 119.800 -0.140 0.000 2.325 320 Q HA -0.188 4.152 4.340 0.000 0.000 0.211 320 Q C 1.797 177.700 176.000 -0.161 0.000 0.988 320 Q CA 0.995 56.734 55.803 -0.106 0.000 0.887 320 Q CB 0.022 28.740 28.738 -0.033 0.000 0.915 320 Q HN 0.310 nan 8.270 nan 0.000 0.440 321 E N 0.471 120.472 120.200 -0.331 0.000 2.158 321 E HA -0.060 4.290 4.350 0.000 0.000 0.191 321 E C 1.613 178.078 176.600 -0.225 0.000 0.982 321 E CA 0.766 56.941 56.400 -0.376 0.000 0.823 321 E CB 0.188 29.484 29.700 -0.674 0.000 0.766 321 E HN 0.330 nan 8.360 nan 0.000 0.468 322 K N 0.313 120.592 120.400 -0.201 0.000 2.098 322 K HA 0.108 4.429 4.320 0.000 0.000 0.203 322 K C 2.069 178.616 176.600 -0.088 0.000 1.051 322 K CA 0.748 56.953 56.287 -0.136 0.000 0.957 322 K CB 0.052 32.471 32.500 -0.136 0.000 0.738 322 K HN -0.040 nan 8.250 nan 0.000 0.447 323 A N 1.269 124.040 122.820 -0.082 0.000 2.125 323 A HA -0.036 4.284 4.320 0.000 0.000 0.219 323 A C 1.956 179.519 177.584 -0.035 0.000 1.156 323 A CA 1.605 53.611 52.037 -0.052 0.000 0.671 323 A CB -0.302 18.670 19.000 -0.047 0.000 0.794 323 A HN 0.294 nan 8.150 nan 0.000 0.459 324 A N -1.517 121.279 122.820 -0.040 0.000 2.379 324 A HA 0.461 4.781 4.320 0.000 0.000 0.236 324 A C 1.507 179.081 177.584 -0.017 0.000 1.272 324 A CA 0.820 52.849 52.037 -0.013 0.000 0.886 324 A CB -0.978 18.027 19.000 0.009 0.000 0.962 324 A HN 1.766 nan 8.150 nan 0.000 0.504 325 G N -0.116 108.665 108.800 -0.031 0.000 2.249 325 G HA2 -0.260 3.700 3.960 0.000 0.000 0.273 325 G HA3 -0.260 3.700 3.960 0.000 0.000 0.273 325 G C 0.194 175.084 174.900 -0.017 0.000 1.036 325 G CA 0.610 45.697 45.100 -0.022 0.000 0.824 325 G HN 0.644 nan 8.290 nan 0.000 0.504 326 R N -0.910 119.564 120.500 -0.042 0.000 2.873 326 R HA 0.541 4.881 4.340 0.000 0.000 0.264 326 R C -0.398 175.883 176.300 -0.030 0.000 1.026 326 R CA -0.952 55.130 56.100 -0.030 0.000 1.002 326 R CB 1.233 31.493 30.300 -0.067 0.000 1.174 326 R HN 0.343 nan 8.270 nan 0.000 0.488 327 H N 1.290 120.312 119.070 -0.079 0.000 2.467 327 H HA 0.296 4.852 4.556 0.000 0.000 0.331 327 H C -1.048 174.236 175.328 -0.073 0.000 1.120 327 H CA -0.371 55.638 56.048 -0.065 0.000 1.270 327 H CB 1.353 31.092 29.762 -0.039 0.000 1.466 327 H HN 0.161 nan 8.280 nan 0.000 0.504 328 V N 4.861 124.620 119.914 -0.259 0.000 2.407 328 V HA 0.227 4.347 4.120 0.000 0.000 0.278 328 V C 0.443 176.635 176.094 0.162 0.000 1.037 328 V CA -0.622 61.636 62.300 -0.070 0.000 0.900 328 V CB 1.248 32.980 31.823 -0.153 0.000 0.983 328 V HN 0.899 nan 8.190 nan 0.000 0.459 329 T N 1.451 116.151 114.554 0.243 0.000 2.856 329 T HA 0.897 5.248 4.350 0.000 0.000 0.283 329 T C -0.034 174.807 174.700 0.234 0.000 1.008 329 T CA -0.313 61.946 62.100 0.265 0.000 0.997 329 T CB 1.951 70.923 68.868 0.173 0.000 0.992 329 T HN 1.089 nan 8.240 nan 0.000 0.454 330 G N 0.424 109.359 108.800 0.226 0.000 2.645 330 G HA2 0.543 4.503 3.960 0.000 0.000 0.292 330 G HA3 0.543 4.503 3.960 0.000 0.000 0.292 330 G C -1.989 172.991 174.900 0.134 0.000 1.415 330 G CA -0.696 44.466 45.100 0.103 0.000 0.785 330 G HN 0.729 nan 8.290 nan 0.000 0.483 331 D N -0.391 120.056 120.400 0.079 0.000 2.408 331 D HA 0.112 4.753 4.640 0.000 0.000 0.261 331 D C 0.593 177.047 176.300 0.257 0.000 1.190 331 D CA -0.831 53.283 54.000 0.189 0.000 0.910 331 D CB 0.954 41.835 40.800 0.135 0.000 1.097 331 D HN 0.422 nan 8.370 nan 0.000 0.522 332 W N 3.334 124.724 121.300 0.151 0.000 2.290 332 W HA -0.341 4.320 4.660 0.001 0.000 0.318 332 W C 2.227 178.806 176.519 0.100 0.000 1.248 332 W CA 3.053 60.497 57.345 0.165 0.000 1.263 332 W CB -0.167 29.414 29.460 0.202 0.000 1.147 332 W HN 0.469 nan 8.180 nan 0.000 0.494 333 T N -3.172 111.711 114.554 0.549 0.000 2.897 333 T HA -0.273 4.078 4.350 0.000 0.000 0.271 333 T C 1.317 176.046 174.700 0.048 0.000 1.084 333 T CA 1.562 63.863 62.100 0.335 0.000 1.123 333 T CB -0.791 68.300 68.868 0.372 0.000 0.865 333 T HN 0.363 nan 8.240 nan 0.000 0.496 334 W N 0.269 121.547 121.300 -0.037 0.000 2.762 334 W HA 0.513 5.173 4.660 0.000 0.000 0.265 334 W C 2.018 178.420 176.519 -0.195 0.000 1.263 334 W CA -0.585 56.708 57.345 -0.086 0.000 1.411 334 W CB -0.063 29.370 29.460 -0.045 0.000 1.065 334 W HN 0.189 nan 8.180 nan 0.000 0.609 335 L N 0.723 121.894 121.223 -0.086 0.000 2.023 335 L HA -0.052 4.288 4.340 0.000 0.000 0.205 335 L C 1.404 178.068 176.870 -0.344 0.000 1.073 335 L CA 0.562 55.222 54.840 -0.301 0.000 0.745 335 L CB -1.229 40.556 42.059 -0.457 0.000 0.900 335 L HN -0.146 nan 8.230 nan 0.000 0.435 336 I N 0.420 120.694 120.570 -0.494 0.000 2.821 336 I HA 0.053 4.223 4.170 0.000 0.000 0.294 336 I C -1.987 173.951 176.117 -0.299 0.000 1.210 336 I CA -1.508 59.516 61.300 -0.461 0.000 1.430 336 I CB -0.335 37.215 38.000 -0.751 0.000 1.356 336 I HN -0.054 nan 8.210 nan 0.000 0.563 337 P HA 0.178 nan 4.420 nan 0.000 0.272 337 P C -2.102 175.070 177.300 -0.213 0.000 1.223 337 P CA -1.396 61.580 63.100 -0.207 0.000 0.784 337 P CB 0.161 31.759 31.700 -0.171 0.000 0.923 338 P HA -0.005 nan 4.420 nan 0.000 0.230 338 P C 0.299 177.495 177.300 -0.174 0.000 1.158 338 P CA 1.095 64.077 63.100 -0.197 0.000 0.769 338 P CB 0.154 31.731 31.700 -0.206 0.000 0.807 339 L N -5.268 115.825 121.223 -0.218 0.000 2.408 339 L HA 0.630 4.970 4.340 0.000 0.000 0.268 339 L C -0.355 176.470 176.870 -0.075 0.000 0.986 339 L CA -0.976 53.777 54.840 -0.144 0.000 0.820 339 L CB 1.932 43.901 42.059 -0.151 0.000 1.303 339 L HN -0.333 nan 8.230 nan 0.000 0.411 340 S N 1.551 117.236 115.700 -0.025 0.000 3.628 340 S HA -0.092 4.378 4.470 0.000 0.000 0.373 340 S C -1.319 173.249 174.600 -0.052 0.000 0.968 340 S CA 0.631 58.834 58.200 0.005 0.000 1.215 340 S CB -1.290 61.999 63.200 0.148 0.000 0.912 340 S HN 0.901 nan 8.310 nan 0.000 0.495 341 P HA 0.051 nan 4.420 nan 0.000 0.226 341 P C 0.797 177.912 177.300 -0.309 0.000 1.153 341 P CA 1.208 64.224 63.100 -0.141 0.000 0.777 341 P CB 0.017 31.698 31.700 -0.030 0.000 0.794 342 A N 0.082 122.580 122.820 -0.535 0.000 2.476 342 A HA 0.221 4.541 4.320 0.000 0.000 0.263 342 A C 1.236 178.846 177.584 0.042 0.000 1.342 342 A CA 0.461 52.164 52.037 -0.556 0.000 0.926 342 A CB -1.022 17.533 19.000 -0.743 0.000 1.019 342 A HN 0.284 nan 8.150 nan 0.000 0.515 343 T N -3.076 111.523 114.554 0.076 0.000 3.145 343 T HA 0.272 4.622 4.350 0.000 0.000 0.281 343 T C 0.344 175.166 174.700 0.205 0.000 1.003 343 T CA 0.434 62.632 62.100 0.163 0.000 0.901 343 T CB -0.418 68.567 68.868 0.193 0.000 1.112 343 T HN 0.425 nan 8.240 nan 0.000 0.535 344 T N -0.561 114.124 114.554 0.218 0.000 2.876 344 T HA 0.386 4.736 4.350 0.000 0.000 0.289 344 T C 1.190 176.106 174.700 0.359 0.000 1.014 344 T CA -0.672 61.578 62.100 0.250 0.000 0.986 344 T CB 1.465 70.412 68.868 0.131 0.000 1.021 344 T HN 0.302 nan 8.240 nan 0.000 0.458 345 H N 3.048 122.288 119.070 0.284 0.000 2.390 345 H HA -0.101 4.455 4.556 0.000 0.000 0.298 345 H C 1.592 177.164 175.328 0.406 0.000 1.106 345 H CA 1.594 57.831 56.048 0.315 0.000 1.297 345 H CB -0.689 29.209 29.762 0.225 0.000 1.375 345 H HN 0.700 nan 8.280 nan 0.000 0.509 346 I N 0.669 121.020 120.570 -0.365 0.000 2.077 346 I HA -0.366 3.805 4.170 0.000 0.000 0.231 346 I C 2.573 178.852 176.117 0.270 0.000 1.011 346 I CA 2.269 63.532 61.300 -0.060 0.000 1.304 346 I CB -0.832 37.104 38.000 -0.107 0.000 1.019 346 I HN 0.132 nan 8.210 nan 0.000 0.388 347 F N 1.350 121.314 119.950 0.022 0.000 2.127 347 F HA -0.334 4.193 4.527 0.000 0.000 0.299 347 F C 2.216 178.220 175.800 0.340 0.000 1.068 347 F CA 2.280 60.392 58.000 0.187 0.000 1.263 347 F CB -0.584 38.365 39.000 -0.085 0.000 1.016 347 F HN 0.225 nan 8.300 nan 0.000 0.491 348 H N -0.603 118.782 119.070 0.526 0.000 2.533 348 H HA 0.202 4.758 4.556 0.000 0.000 0.271 348 H C 0.506 175.930 175.328 0.160 0.000 1.000 348 H CA 0.206 56.456 56.048 0.336 0.000 1.149 348 H CB -0.020 29.922 29.762 0.301 0.000 1.375 348 H HN 0.288 nan 8.280 nan 0.000 0.582 349 R N -1.509 119.113 120.500 0.203 0.000 2.905 349 R HA 0.675 5.016 4.340 0.000 0.000 0.260 349 R C -1.028 175.191 176.300 -0.134 0.000 1.086 349 R CA -0.961 55.137 56.100 -0.005 0.000 0.978 349 R CB 1.351 31.608 30.300 -0.072 0.000 1.215 349 R HN -0.146 nan 8.270 nan 0.000 0.480 350 S N -0.143 115.414 115.700 -0.238 0.000 2.549 350 S HA 0.565 5.035 4.470 0.000 0.000 0.297 350 S C -1.401 173.021 174.600 -0.296 0.000 1.115 350 S CA -0.458 57.614 58.200 -0.214 0.000 1.059 350 S CB 0.685 63.798 63.200 -0.145 0.000 1.046 350 S HN 0.389 nan 8.310 nan 0.000 0.506 351 Y N 0.575 120.964 120.300 0.148 0.000 2.621 351 Y HA 0.432 4.982 4.550 0.001 0.000 0.334 351 Y C 0.023 176.013 175.900 0.150 0.000 1.074 351 Y CA -1.186 57.022 58.100 0.181 0.000 1.149 351 Y CB 0.955 39.575 38.460 0.267 0.000 1.302 351 Y HN 0.471 nan 8.280 nan 0.000 0.501 352 D N 1.113 121.739 120.400 0.376 0.000 2.473 352 D HA 0.086 4.727 4.640 0.000 0.000 0.226 352 D C -0.641 175.782 176.300 0.206 0.000 1.089 352 D CA -0.309 53.845 54.000 0.256 0.000 0.883 352 D CB -0.016 40.961 40.800 0.294 0.000 1.029 352 D HN 0.426 nan 8.370 nan 0.000 0.517 353 N N 2.634 121.433 118.700 0.164 0.000 3.210 353 N HA 0.041 4.781 4.740 0.000 0.000 0.314 353 N C -0.957 174.595 175.510 0.070 0.000 1.291 353 N CA 0.132 53.253 53.050 0.117 0.000 1.202 353 N CB -0.055 38.503 38.487 0.119 0.000 1.475 353 N HN 0.163 nan 8.380 nan 0.000 0.554 354 T N 1.169 115.758 114.554 0.059 0.000 2.829 354 T HA 0.287 4.638 4.350 0.000 0.000 0.282 354 T C 0.239 174.939 174.700 -0.001 0.000 0.990 354 T CA -0.488 61.624 62.100 0.019 0.000 1.028 354 T CB 0.995 69.856 68.868 -0.012 0.000 0.951 354 T HN 0.221 nan 8.240 nan 0.000 0.460 355 M N 4.714 124.312 119.600 -0.003 0.000 2.108 355 M HA 0.344 4.824 4.480 0.000 0.000 0.347 355 M C -0.527 175.751 176.300 -0.037 0.000 1.326 355 M CA -0.231 55.059 55.300 -0.017 0.000 1.126 355 M CB 0.232 32.849 32.600 0.029 0.000 1.606 355 M HN 0.323 nan 8.290 nan 0.000 0.462 356 M N 6.654 126.181 119.600 -0.121 0.000 2.113 356 M HA 0.334 4.814 4.480 0.000 0.000 0.352 356 M C -0.758 175.450 176.300 -0.153 0.000 1.170 356 M CA -0.879 54.265 55.300 -0.260 0.000 1.053 356 M CB 0.427 32.638 32.600 -0.649 0.000 1.601 356 M HN 0.558 nan 8.290 nan 0.000 0.459 357 L N 4.517 125.750 121.223 0.017 0.000 2.375 357 L HA 0.801 5.141 4.340 0.000 0.000 0.268 357 L C -2.436 174.587 176.870 0.255 0.000 1.058 357 L CA -1.561 53.383 54.840 0.173 0.000 0.803 357 L CB -0.130 42.036 42.059 0.179 0.000 1.212 357 L HN 0.400 nan 8.230 nan 0.000 0.451 358 P HA 0.118 nan 4.420 nan 0.000 0.266 358 P C -1.345 176.010 177.300 0.092 0.000 1.195 358 P CA 0.151 63.306 63.100 0.091 0.000 0.768 358 P CB 0.615 32.277 31.700 -0.064 0.000 0.838 359 N N 0.684 119.383 118.700 -0.001 0.000 2.927 359 N HA 0.392 5.132 4.740 0.000 0.000 0.248 359 N C -1.310 173.902 175.510 -0.496 0.000 1.443 359 N CA -0.691 52.209 53.050 -0.252 0.000 0.870 359 N CB 0.936 39.231 38.487 -0.319 0.000 1.444 359 N HN 0.075 nan 8.380 nan 0.000 0.519 360 F N 1.303 120.970 119.950 -0.472 0.000 2.379 360 F HA 0.534 5.061 4.527 0.000 0.000 0.332 360 F C -0.265 175.070 175.800 -0.774 0.000 1.096 360 F CA 0.083 57.865 58.000 -0.364 0.000 1.105 360 F CB 0.650 39.469 39.000 -0.302 0.000 1.189 360 F HN 0.274 nan 8.300 nan 0.000 0.515 361 F N 0.086 120.040 119.950 0.007 0.000 2.691 361 F HA 0.516 5.044 4.527 0.000 0.000 0.334 361 F C -0.716 174.993 175.800 -0.152 0.000 1.107 361 F CA -1.374 56.557 58.000 -0.115 0.000 0.991 361 F CB 0.704 39.679 39.000 -0.042 0.000 1.400 361 F HN 0.179 nan 8.300 nan 0.000 0.503 362 Y N 0.546 120.984 120.300 0.230 0.000 2.408 362 Y HA 0.562 5.112 4.550 0.000 0.000 0.324 362 Y C -0.415 175.550 175.900 0.108 0.000 1.302 362 Y CA -0.841 57.336 58.100 0.129 0.000 1.384 362 Y CB 1.064 39.574 38.460 0.084 0.000 1.367 362 Y HN 0.415 nan 8.280 nan 0.000 0.525 363 Q N 0.032 119.980 119.800 0.246 0.000 2.507 363 Q HA 0.231 4.571 4.340 0.000 0.000 0.248 363 Q C -1.998 174.008 176.000 0.010 0.000 0.941 363 Q CA -0.977 54.885 55.803 0.099 0.000 1.003 363 Q CB 1.139 29.919 28.738 0.071 0.000 1.517 363 Q HN 0.562 nan 8.270 nan 0.000 0.443 364 D N 2.880 123.256 120.400 -0.040 0.000 2.795 364 D HA -0.099 4.542 4.640 0.000 0.000 0.221 364 D C -0.335 175.815 176.300 -0.250 0.000 1.108 364 D CA 0.870 54.796 54.000 -0.123 0.000 0.832 364 D CB 0.651 41.382 40.800 -0.114 0.000 1.183 364 D HN 0.384 nan 8.370 nan 0.000 0.503 365 R N 3.455 123.733 120.500 -0.370 0.000 2.210 365 R HA 0.164 4.505 4.340 0.000 0.000 0.338 365 R C -1.572 174.185 176.300 -0.904 0.000 1.062 365 R CA -1.511 54.131 56.100 -0.763 0.000 0.902 365 R CB 0.541 30.317 30.300 -0.873 0.000 1.050 365 R HN 0.171 nan 8.270 nan 0.000 0.461 366 P HA -0.176 nan 4.420 nan 0.000 0.224 366 P C -0.009 176.864 177.300 -0.712 0.000 1.142 366 P CA 1.245 63.822 63.100 -0.873 0.000 0.778 366 P CB 0.060 30.979 31.700 -1.301 0.000 0.764 367 Y N -3.192 116.839 120.300 -0.448 0.000 2.467 367 Y HA 0.481 5.031 4.550 0.000 0.000 0.250 367 Y C 0.554 176.414 175.900 -0.066 0.000 1.155 367 Y CA -1.047 56.947 58.100 -0.177 0.000 1.249 367 Y CB -0.571 37.862 38.460 -0.044 0.000 1.146 367 Y HN -0.109 nan 8.280 nan 0.000 0.524 368 E N 0.000 120.158 120.200 -0.071 0.000 2.725 368 E HA 0.000 4.350 4.350 0.000 0.000 0.291 368 E CA 0.000 56.412 56.400 0.020 0.000 0.976 368 E CB 0.000 29.704 29.700 0.007 0.000 0.812 368 E HN 0.000 nan 8.360 nan 0.000 0.440