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 2wom_1_B DATA FIRST_RESID 3 DATA SEQUENCE SPIETVPVKL KPGMDGPKVK QWPLTEEKIK ALVEICTEME KEGKISKIGP DATA SEQUENCE ENPYNTPVFA IKKKDSTKWR KLVDFRELNK RTQDFXXXQL GIPHPAGLKK DATA SEQUENCE NKSVTVLDVG DAYFSVPLDE DFRKYTAFTI PSINNETPGI RYQYNVLPQG DATA SEQUENCE WKGSPAIFQS SMTKILEPFR KQNPDIVIYQ YMDDLYVGSD LEIGQHRTKI DATA SEQUENCE EELRQHLLRW GLTTPXXXXX XXXXXXXMGY ELHPDKWTVQ PIVLPEKDSW DATA SEQUENCE TVNDIQKLVG KLNWASQIYP GIKVRQLCKL LRGTKALTEV IPLTEEAELE DATA SEQUENCE LAENREILKE PVHGVYYDPS KDLIAEIQKQ GQGQWTYQIY QEPFKNLKTG DATA SEQUENCE KYARMRGAHT NDVKQLTEAV QKITTESIVI WGKTPKFKLP IQKETWETWW DATA SEQUENCE TEYWQATWIP EWEFVNTPPL VKLWYQLE 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.657 174.600 0.095 0.000 1.055 3 S CA 0.000 58.250 58.200 0.083 0.000 1.107 3 S CB 0.000 63.250 63.200 0.083 0.000 0.593 4 P HA 0.341 nan 4.420 nan 0.000 0.267 4 P C -0.223 177.129 177.300 0.087 0.000 1.201 4 P CA -0.266 62.890 63.100 0.093 0.000 0.775 4 P CB 0.425 32.173 31.700 0.080 0.000 0.854 5 I N -0.390 120.236 120.570 0.093 0.000 3.457 5 I HA 0.269 4.439 4.170 -0.001 0.000 0.307 5 I C 0.357 176.519 176.117 0.075 0.000 1.138 5 I CA -1.013 60.337 61.300 0.084 0.000 0.974 5 I CB 0.661 38.718 38.000 0.096 0.000 1.324 5 I HN 0.248 nan 8.210 nan 0.000 0.485 6 E N 2.982 123.221 120.200 0.065 0.000 2.159 6 E HA 0.110 4.459 4.350 -0.001 0.000 0.272 6 E C -0.324 176.314 176.600 0.064 0.000 1.138 6 E CA -0.029 56.405 56.400 0.057 0.000 0.915 6 E CB 0.387 30.114 29.700 0.046 0.000 1.028 6 E HN 0.599 nan 8.360 nan 0.000 0.423 7 T N -0.579 114.018 114.554 0.070 0.000 2.930 7 T HA 0.147 4.496 4.350 -0.001 0.000 0.306 7 T C 0.543 175.280 174.700 0.063 0.000 1.045 7 T CA -0.797 61.350 62.100 0.079 0.000 1.134 7 T CB 0.858 69.780 68.868 0.090 0.000 0.961 7 T HN 0.044 nan 8.240 nan 0.000 0.545 8 V N 6.606 126.555 119.914 0.058 0.000 2.405 8 V HA 0.250 4.369 4.120 -0.001 0.000 0.264 8 V C -1.610 174.506 176.094 0.037 0.000 1.048 8 V CA -1.652 60.670 62.300 0.036 0.000 0.966 8 V CB 0.144 31.977 31.823 0.017 0.000 1.015 8 V HN 0.857 nan 8.190 nan 0.000 0.477 9 P HA 0.099 nan 4.420 nan 0.000 0.262 9 P C -0.460 176.858 177.300 0.030 0.000 1.199 9 P CA 0.260 63.390 63.100 0.050 0.000 0.763 9 P CB 0.738 32.468 31.700 0.051 0.000 0.790 10 V N 4.806 124.734 119.914 0.023 0.000 2.716 10 V HA 0.479 4.599 4.120 -0.001 0.000 0.304 10 V C 0.663 176.815 176.094 0.098 0.000 1.053 10 V CA -0.395 61.873 62.300 -0.054 0.000 0.984 10 V CB 1.474 33.013 31.823 -0.473 0.000 1.021 10 V HN 0.581 nan 8.190 nan 0.000 0.467 11 K N 3.644 124.102 120.400 0.095 0.000 2.513 11 K HA 0.617 4.937 4.320 -0.001 0.000 0.251 11 K C -1.442 175.240 176.600 0.137 0.000 0.939 11 K CA -0.777 55.598 56.287 0.147 0.000 0.793 11 K CB 2.127 34.678 32.500 0.085 0.000 1.241 11 K HN 0.450 nan 8.250 nan 0.000 0.431 12 L N 2.368 123.666 121.223 0.126 0.000 2.464 12 L HA 0.222 4.562 4.340 -0.001 0.000 0.264 12 L C 0.543 177.422 176.870 0.016 0.000 1.199 12 L CA -0.571 54.285 54.840 0.028 0.000 0.818 12 L CB 0.398 42.373 42.059 -0.140 0.000 1.102 12 L HN 0.555 nan 8.230 nan 0.000 0.473 13 K N 2.346 122.745 120.400 -0.002 0.000 2.436 13 K HA 0.104 4.424 4.320 -0.001 0.000 0.275 13 K C -2.195 174.404 176.600 -0.003 0.000 0.999 13 K CA -1.368 54.915 56.287 -0.007 0.000 0.980 13 K CB -0.217 32.275 32.500 -0.013 0.000 0.919 13 K HN 0.332 nan 8.250 nan 0.000 0.484 14 P HA -0.116 nan 4.420 nan 0.000 0.263 14 P C 0.741 178.045 177.300 0.007 0.000 1.195 14 P CA 0.807 63.912 63.100 0.008 0.000 0.762 14 P CB 0.784 32.489 31.700 0.007 0.000 0.799 15 G N 2.956 111.764 108.800 0.013 0.000 2.454 15 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.225 15 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.225 15 G C 0.377 175.284 174.900 0.013 0.000 1.138 15 G CA -0.164 44.946 45.100 0.015 0.000 0.667 15 G HN 0.476 nan 8.290 nan 0.000 0.512 16 M N 1.681 121.280 119.600 -0.001 0.000 2.251 16 M HA 0.371 4.850 4.480 -0.001 0.000 0.343 16 M C 0.099 176.377 176.300 -0.037 0.000 1.245 16 M CA 0.558 55.849 55.300 -0.016 0.000 1.061 16 M CB 0.616 33.199 32.600 -0.028 0.000 1.723 16 M HN 0.447 nan 8.290 nan 0.000 0.449 17 D N 1.198 121.581 120.400 -0.029 0.000 2.374 17 D HA 0.594 5.233 4.640 -0.001 0.000 0.239 17 D C 0.091 176.317 176.300 -0.122 0.000 0.991 17 D CA -0.176 53.811 54.000 -0.021 0.000 0.960 17 D CB 1.412 42.279 40.800 0.111 0.000 1.284 17 D HN 0.675 nan 8.370 nan 0.000 0.512 18 G N 0.948 109.587 108.800 -0.268 0.000 2.720 18 G HA2 0.240 4.200 3.960 -0.001 0.000 0.237 18 G HA3 0.240 4.200 3.960 -0.001 0.000 0.237 18 G C -2.138 172.735 174.900 -0.046 0.000 1.239 18 G CA -0.729 44.037 45.100 -0.557 0.000 0.847 18 G HN 0.460 nan 8.290 nan 0.000 0.593 19 P HA 0.252 nan 4.420 nan 0.000 0.275 19 P C -0.803 176.627 177.300 0.217 0.000 1.227 19 P CA -0.130 63.032 63.100 0.104 0.000 0.781 19 P CB 1.140 32.896 31.700 0.092 0.000 0.906 20 K N 1.654 122.140 120.400 0.144 0.000 3.253 20 K HA 0.298 4.618 4.320 -0.001 0.000 0.174 20 K C -0.794 175.819 176.600 0.022 0.000 1.071 20 K CA -0.451 55.895 56.287 0.099 0.000 0.836 20 K CB 1.027 33.576 32.500 0.082 0.000 0.922 20 K HN 0.207 nan 8.250 nan 0.000 0.565 21 V N 1.697 121.613 119.914 0.002 0.000 2.432 21 V HA 0.201 4.321 4.120 -0.001 0.000 0.275 21 V C 0.432 176.405 176.094 -0.201 0.000 1.043 21 V CA -0.877 61.375 62.300 -0.080 0.000 0.925 21 V CB 0.997 32.802 31.823 -0.029 0.000 0.985 21 V HN 0.360 nan 8.190 nan 0.000 0.466 22 K N 2.793 123.007 120.400 -0.311 0.000 2.414 22 K HA 0.187 4.506 4.320 -0.001 0.000 0.272 22 K C -0.047 176.146 176.600 -0.677 0.000 0.993 22 K CA -0.298 55.753 56.287 -0.393 0.000 0.964 22 K CB 0.445 32.738 32.500 -0.345 0.000 0.925 22 K HN 0.627 nan 8.250 nan 0.000 0.487 23 Q N 2.382 121.889 119.800 -0.489 0.000 2.279 23 Q HA 0.125 4.465 4.340 -0.001 0.000 0.256 23 Q C -1.579 174.155 176.000 -0.443 0.000 0.937 23 Q CA -0.338 55.158 55.803 -0.511 0.000 0.933 23 Q CB 0.509 29.104 28.738 -0.237 0.000 1.189 23 Q HN 0.332 nan 8.270 nan 0.000 0.417 24 W N 4.992 126.265 121.300 -0.045 0.000 2.251 24 W HA 0.464 5.123 4.660 -0.001 0.000 0.329 24 W C -1.948 174.553 176.519 -0.030 0.000 1.234 24 W CA -2.447 54.908 57.345 0.017 0.000 1.228 24 W CB -0.566 28.982 29.460 0.146 0.000 1.135 24 W HN 0.532 nan 8.180 nan 0.000 0.576 25 P HA 0.128 nan 4.420 nan 0.000 0.266 25 P C -0.693 176.639 177.300 0.053 0.000 1.195 25 P CA 0.263 63.403 63.100 0.066 0.000 0.768 25 P CB 0.994 32.713 31.700 0.032 0.000 0.838 26 L N 1.509 122.730 121.223 -0.004 0.000 2.323 26 L HA 0.474 4.814 4.340 -0.001 0.000 0.265 26 L C 1.151 177.975 176.870 -0.077 0.000 1.012 26 L CA -0.951 53.863 54.840 -0.042 0.000 0.820 26 L CB 1.888 43.911 42.059 -0.061 0.000 1.334 26 L HN 0.361 nan 8.230 nan 0.000 0.427 27 T N -3.541 110.949 114.554 -0.108 0.000 2.868 27 T HA 0.067 4.416 4.350 -0.001 0.000 0.292 27 T C 0.864 175.493 174.700 -0.117 0.000 1.028 27 T CA -0.425 61.612 62.100 -0.105 0.000 1.059 27 T CB 1.464 70.269 68.868 -0.104 0.000 0.991 27 T HN 0.795 nan 8.240 nan 0.000 0.531 28 E N 0.578 120.725 120.200 -0.089 0.000 2.070 28 E HA -0.291 4.058 4.350 -0.001 0.000 0.197 28 E C 1.925 178.450 176.600 -0.125 0.000 1.004 28 E CA 1.761 58.109 56.400 -0.087 0.000 0.805 28 E CB -0.121 29.547 29.700 -0.055 0.000 0.744 28 E HN 0.921 nan 8.360 nan 0.000 0.451 29 E N 0.548 120.671 120.200 -0.128 0.000 2.049 29 E HA -0.276 4.074 4.350 -0.001 0.000 0.198 29 E C 1.943 178.289 176.600 -0.424 0.000 1.007 29 E CA 1.780 58.076 56.400 -0.172 0.000 0.809 29 E CB 0.012 29.674 29.700 -0.064 0.000 0.749 29 E HN 0.195 nan 8.360 nan 0.000 0.450 30 K N 0.000 120.113 120.400 -0.479 0.000 2.103 30 K HA -0.056 4.264 4.320 -0.001 0.000 0.204 30 K C 2.309 178.671 176.600 -0.396 0.000 1.052 30 K CA 1.184 57.094 56.287 -0.629 0.000 0.945 30 K CB -0.076 32.151 32.500 -0.454 0.000 0.722 30 K HN 0.260 nan 8.250 nan 0.000 0.443 31 I N 1.196 121.619 120.570 -0.245 0.000 2.142 31 I HA -0.285 3.885 4.170 -0.001 0.000 0.240 31 I C 2.203 178.229 176.117 -0.151 0.000 1.078 31 I CA 1.185 62.392 61.300 -0.156 0.000 1.343 31 I CB -0.179 37.759 38.000 -0.104 0.000 1.046 31 I HN 0.013 nan 8.210 nan 0.000 0.405 32 K N 1.144 121.448 120.400 -0.160 0.000 2.020 32 K HA -0.201 4.118 4.320 -0.001 0.000 0.212 32 K C 2.149 178.659 176.600 -0.149 0.000 1.050 32 K CA 1.922 58.134 56.287 -0.125 0.000 0.929 32 K CB -0.630 31.806 32.500 -0.107 0.000 0.714 32 K HN 0.362 nan 8.250 nan 0.000 0.443 33 A N 0.403 123.053 122.820 -0.285 0.000 1.908 33 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 33 A C 2.186 179.668 177.584 -0.170 0.000 1.181 33 A CA 1.609 53.464 52.037 -0.304 0.000 0.627 33 A CB -0.717 17.797 19.000 -0.809 0.000 0.818 33 A HN 0.253 nan 8.150 nan 0.000 0.445 34 L N -0.704 120.414 121.223 -0.175 0.000 2.093 34 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 34 L C 2.530 179.378 176.870 -0.038 0.000 1.085 34 L CA 0.872 55.659 54.840 -0.088 0.000 0.755 34 L CB -0.530 41.485 42.059 -0.074 0.000 0.904 34 L HN 0.250 nan 8.230 nan 0.000 0.435 35 V N 0.002 119.898 119.914 -0.029 0.000 2.261 35 V HA -0.317 3.803 4.120 -0.001 0.000 0.246 35 V C 2.497 178.589 176.094 -0.003 0.000 1.047 35 V CA 2.088 64.394 62.300 0.010 0.000 1.015 35 V CB -0.439 31.385 31.823 0.001 0.000 0.642 35 V HN 0.508 nan 8.190 nan 0.000 0.446 36 E N -0.037 120.152 120.200 -0.019 0.000 2.058 36 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 36 E C 2.213 178.803 176.600 -0.017 0.000 0.997 36 E CA 1.917 58.311 56.400 -0.010 0.000 0.801 36 E CB -0.173 29.526 29.700 -0.001 0.000 0.746 36 E HN 0.603 nan 8.360 nan 0.000 0.450 37 I N 0.395 120.950 120.570 -0.025 0.000 2.179 37 I HA -0.327 3.842 4.170 -0.001 0.000 0.242 37 I C 2.578 178.641 176.117 -0.091 0.000 1.088 37 I CA 0.807 62.085 61.300 -0.037 0.000 1.357 37 I CB -0.254 37.734 38.000 -0.021 0.000 1.051 37 I HN 0.358 nan 8.210 nan 0.000 0.409 38 C N 0.474 119.700 119.300 -0.124 0.000 2.457 38 C HA -0.116 4.343 4.460 -0.001 0.000 0.278 38 C C 3.077 177.930 174.990 -0.229 0.000 1.309 38 C CA 1.567 60.417 59.018 -0.281 0.000 1.735 38 C CB -1.210 26.283 27.740 -0.412 0.000 1.992 38 C HN 0.611 nan 8.230 nan 0.000 0.493 39 T N -1.171 113.346 114.554 -0.062 0.000 3.007 39 T HA -0.170 4.179 4.350 -0.001 0.000 0.270 39 T C 1.501 176.184 174.700 -0.029 0.000 1.107 39 T CA 1.561 63.664 62.100 0.005 0.000 1.118 39 T CB -0.310 68.579 68.868 0.035 0.000 0.889 39 T HN 0.700 nan 8.240 nan 0.000 0.506 40 E N 0.385 120.552 120.200 -0.055 0.000 2.122 40 E HA 0.100 4.449 4.350 -0.001 0.000 0.190 40 E C 2.149 178.699 176.600 -0.083 0.000 0.977 40 E CA 0.332 56.701 56.400 -0.051 0.000 0.820 40 E CB -0.115 29.562 29.700 -0.037 0.000 0.770 40 E HN 0.509 nan 8.360 nan 0.000 0.462 41 M N 0.439 119.953 119.600 -0.142 0.000 2.254 41 M HA -0.111 4.368 4.480 -0.001 0.000 0.265 41 M C 2.200 178.399 176.300 -0.169 0.000 1.066 41 M CA 1.131 56.310 55.300 -0.201 0.000 1.123 41 M CB -0.038 32.381 32.600 -0.301 0.000 1.388 41 M HN 0.112 nan 8.290 nan 0.000 0.425 42 E N 1.065 121.184 120.200 -0.134 0.000 2.047 42 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 42 E C 1.793 178.376 176.600 -0.028 0.000 0.987 42 E CA 1.244 57.613 56.400 -0.052 0.000 0.799 42 E CB 0.146 29.876 29.700 0.050 0.000 0.752 42 E HN 0.389 nan 8.360 nan 0.000 0.449 43 K N 0.327 120.711 120.400 -0.026 0.000 2.103 43 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 43 K C 1.824 178.414 176.600 -0.017 0.000 1.048 43 K CA 1.645 57.923 56.287 -0.015 0.000 0.930 43 K CB -0.062 32.430 32.500 -0.012 0.000 0.716 43 K HN 0.252 nan 8.250 nan 0.000 0.444 44 E N -0.439 119.741 120.200 -0.034 0.000 2.502 44 E HA 0.002 4.352 4.350 -0.001 0.000 0.194 44 E C 0.835 177.421 176.600 -0.022 0.000 1.062 44 E CA 0.272 56.655 56.400 -0.027 0.000 0.867 44 E CB 0.239 29.914 29.700 -0.042 0.000 0.888 44 E HN 0.494 nan 8.360 nan 0.000 0.510 45 G N 2.060 110.843 108.800 -0.027 0.000 2.175 45 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.265 45 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.265 45 G C 0.908 175.795 174.900 -0.021 0.000 0.979 45 G CA 0.978 46.071 45.100 -0.013 0.000 0.663 45 G HN 0.299 nan 8.290 nan 0.000 0.533 46 K N -0.365 119.988 120.400 -0.077 0.000 2.148 46 K HA 0.212 4.531 4.320 -0.001 0.000 0.204 46 K C 1.471 177.974 176.600 -0.162 0.000 1.050 46 K CA 1.452 57.674 56.287 -0.108 0.000 0.942 46 K CB 0.034 32.365 32.500 -0.281 0.000 0.724 46 K HN 0.844 nan 8.250 nan 0.000 0.446 47 I N -2.970 117.473 120.570 -0.212 0.000 2.969 47 I HA 0.414 4.584 4.170 -0.001 0.000 0.307 47 I C -1.073 175.016 176.117 -0.048 0.000 1.149 47 I CA -1.060 60.105 61.300 -0.224 0.000 1.008 47 I CB 2.601 40.342 38.000 -0.432 0.000 1.232 47 I HN -0.184 nan 8.210 nan 0.000 0.435 48 S N 1.658 117.380 115.700 0.036 0.000 2.541 48 S HA 0.527 4.996 4.470 -0.001 0.000 0.271 48 S C -0.880 173.750 174.600 0.049 0.000 1.133 48 S CA -1.183 57.062 58.200 0.075 0.000 0.876 48 S CB 1.772 64.980 63.200 0.013 0.000 1.105 48 S HN 0.702 nan 8.310 nan 0.000 0.470 49 K N 1.238 121.598 120.400 -0.066 0.000 2.440 49 K HA 0.309 4.629 4.320 -0.001 0.000 0.270 49 K C 0.023 176.505 176.600 -0.195 0.000 0.980 49 K CA 0.154 56.267 56.287 -0.290 0.000 0.953 49 K CB 0.055 32.365 32.500 -0.316 0.000 0.925 49 K HN 0.744 nan 8.250 nan 0.000 0.497 50 I N -2.560 117.869 120.570 -0.235 0.000 2.892 50 I HA 0.563 4.732 4.170 -0.001 0.000 0.306 50 I C 0.177 176.197 176.117 -0.162 0.000 1.078 50 I CA -1.127 60.075 61.300 -0.163 0.000 1.032 50 I CB 2.062 39.979 38.000 -0.138 0.000 1.229 50 I HN 0.520 nan 8.210 nan 0.000 0.435 51 G N 1.569 110.294 108.800 -0.125 0.000 2.535 51 G HA2 0.546 4.506 3.960 -0.001 0.000 0.303 51 G HA3 0.546 4.506 3.960 -0.001 0.000 0.303 51 G C -1.845 172.986 174.900 -0.114 0.000 1.237 51 G CA -1.344 43.687 45.100 -0.115 0.000 0.986 51 G HN 0.610 nan 8.290 nan 0.000 0.494 52 P HA -0.031 nan 4.420 nan 0.000 0.233 52 P C 1.166 178.401 177.300 -0.109 0.000 1.167 52 P CA 0.695 63.731 63.100 -0.105 0.000 0.770 52 P CB 0.311 31.955 31.700 -0.092 0.000 0.837 53 E N -0.265 119.874 120.200 -0.102 0.000 2.478 53 E HA -0.100 4.249 4.350 -0.001 0.000 0.198 53 E C 0.288 176.809 176.600 -0.132 0.000 1.046 53 E CA 0.334 56.671 56.400 -0.105 0.000 0.870 53 E CB -0.791 28.859 29.700 -0.083 0.000 0.818 53 E HN 0.115 nan 8.360 nan 0.000 0.527 54 N N 2.400 121.020 118.700 -0.134 0.000 2.500 54 N HA 0.101 4.841 4.740 -0.001 0.000 0.236 54 N C -1.901 173.479 175.510 -0.216 0.000 1.022 54 N CA -1.817 51.144 53.050 -0.149 0.000 0.935 54 N CB 1.439 39.877 38.487 -0.081 0.000 1.147 54 N HN -0.047 nan 8.380 nan 0.000 0.512 55 P HA 0.099 nan 4.420 nan 0.000 0.257 55 P C -0.664 176.397 177.300 -0.398 0.000 1.281 55 P CA 0.099 62.956 63.100 -0.405 0.000 0.826 55 P CB -0.028 31.390 31.700 -0.469 0.000 1.237 56 Y N 0.819 121.110 120.300 -0.014 0.000 2.335 56 Y HA 0.558 5.107 4.550 -0.001 0.000 0.323 56 Y C 0.854 176.757 175.900 0.006 0.000 1.224 56 Y CA -0.722 57.388 58.100 0.016 0.000 1.241 56 Y CB 0.674 39.169 38.460 0.058 0.000 1.235 56 Y HN -0.132 nan 8.280 nan 0.000 0.492 57 N N -0.646 118.172 118.700 0.197 0.000 2.431 57 N HA 0.447 5.187 4.740 -0.001 0.000 0.275 57 N C -1.855 173.714 175.510 0.098 0.000 1.091 57 N CA -0.415 52.699 53.050 0.108 0.000 0.922 57 N CB 1.693 40.190 38.487 0.016 0.000 1.666 57 N HN 0.544 nan 8.380 nan 0.000 0.484 58 T N 2.986 117.600 114.554 0.100 0.000 2.848 58 T HA 0.562 4.912 4.350 -0.001 0.000 0.285 58 T C -2.739 171.949 174.700 -0.022 0.000 0.995 58 T CA -1.055 61.074 62.100 0.047 0.000 0.970 58 T CB 1.923 70.818 68.868 0.045 0.000 0.976 58 T HN 0.307 nan 8.240 nan 0.000 0.441 59 P HA 0.345 nan 4.420 nan 0.000 0.269 59 P C -1.086 176.078 177.300 -0.227 0.000 1.209 59 P CA -0.386 62.646 63.100 -0.113 0.000 0.776 59 P CB 0.581 32.427 31.700 0.242 0.000 0.876 60 V N 3.074 122.731 119.914 -0.428 0.000 2.789 60 V HA 0.570 4.689 4.120 -0.001 0.000 0.311 60 V C -0.415 175.301 176.094 -0.630 0.000 1.073 60 V CA -0.253 61.805 62.300 -0.403 0.000 0.921 60 V CB 1.367 33.049 31.823 -0.236 0.000 1.009 60 V HN 0.411 nan 8.190 nan 0.000 0.426 61 F N 0.989 120.918 119.950 -0.036 0.000 2.706 61 F HA 0.905 5.432 4.527 -0.001 0.000 0.328 61 F C 0.166 175.899 175.800 -0.111 0.000 1.123 61 F CA -1.006 56.934 58.000 -0.099 0.000 0.978 61 F CB 1.827 40.707 39.000 -0.201 0.000 1.404 61 F HN 0.544 nan 8.300 nan 0.000 0.497 62 A N 1.369 124.237 122.820 0.080 0.000 2.353 62 A HA 0.842 5.161 4.320 -0.001 0.000 0.299 62 A C -0.879 176.820 177.584 0.193 0.000 1.089 62 A CA -0.503 51.567 52.037 0.056 0.000 0.736 62 A CB 0.657 19.530 19.000 -0.211 0.000 1.195 62 A HN 0.758 nan 8.150 nan 0.000 0.447 63 I N -1.235 119.495 120.570 0.266 0.000 3.436 63 I HA 0.864 5.034 4.170 -0.001 0.000 0.300 63 I C -0.757 175.475 176.117 0.192 0.000 1.131 63 I CA -1.363 60.066 61.300 0.216 0.000 1.001 63 I CB 2.207 40.282 38.000 0.125 0.000 1.305 63 I HN 0.414 nan 8.210 nan 0.000 0.494 64 K N 1.374 121.773 120.400 -0.002 0.000 2.615 64 K HA 0.447 4.767 4.320 -0.001 0.000 0.249 64 K C -1.342 175.195 176.600 -0.106 0.000 0.977 64 K CA -0.781 55.428 56.287 -0.131 0.000 0.833 64 K CB 2.195 34.490 32.500 -0.342 0.000 1.208 64 K HN 0.363 nan 8.250 nan 0.000 0.443 65 K N 1.247 121.592 120.400 -0.092 0.000 2.149 65 K HA 0.176 4.496 4.320 -0.001 0.000 0.245 65 K C -0.005 176.532 176.600 -0.104 0.000 1.024 65 K CA -0.517 55.709 56.287 -0.103 0.000 0.899 65 K CB 0.316 32.760 32.500 -0.093 0.000 1.038 65 K HN 0.192 nan 8.250 nan 0.000 0.496 66 K N 1.380 121.720 120.400 -0.100 0.000 2.355 66 K HA -0.007 4.312 4.320 -0.001 0.000 0.270 66 K C -0.966 175.592 176.600 -0.069 0.000 1.003 66 K CA 0.522 56.761 56.287 -0.080 0.000 0.957 66 K CB -0.009 32.449 32.500 -0.069 0.000 0.939 66 K HN 0.624 nan 8.250 nan 0.000 0.482 67 D N 0.425 120.789 120.400 -0.061 0.000 2.723 67 D HA -0.186 4.454 4.640 -0.001 0.000 0.236 67 D C -1.266 174.996 176.300 -0.063 0.000 1.138 67 D CA 1.406 55.375 54.000 -0.053 0.000 0.676 67 D CB -1.009 39.767 40.800 -0.040 0.000 1.069 67 D HN 0.341 nan 8.370 nan 0.000 0.430 68 S N -1.050 114.600 115.700 -0.084 0.000 2.566 68 S HA 0.605 5.075 4.470 -0.001 0.000 0.273 68 S C 0.287 174.800 174.600 -0.144 0.000 1.157 68 S CA -0.022 58.120 58.200 -0.098 0.000 0.938 68 S CB 1.438 64.584 63.200 -0.091 0.000 1.087 68 S HN 0.280 nan 8.310 nan 0.000 0.474 69 T N 0.911 115.372 114.554 -0.154 0.000 3.200 69 T HA 0.428 4.777 4.350 -0.001 0.000 0.284 69 T C -0.337 174.207 174.700 -0.260 0.000 1.009 69 T CA -0.427 61.541 62.100 -0.219 0.000 0.907 69 T CB -0.256 68.518 68.868 -0.156 0.000 1.120 69 T HN 0.482 nan 8.240 nan 0.000 0.534 70 K N 1.316 121.594 120.400 -0.203 0.000 2.394 70 K HA 0.332 4.651 4.320 -0.001 0.000 0.260 70 K C -0.987 175.563 176.600 -0.083 0.000 0.967 70 K CA -0.783 55.429 56.287 -0.125 0.000 0.855 70 K CB 1.396 33.877 32.500 -0.033 0.000 1.101 70 K HN 0.310 nan 8.250 nan 0.000 0.433 71 W N 2.869 124.159 121.300 -0.017 0.000 2.391 71 W HA -0.042 4.617 4.660 -0.001 0.000 0.339 71 W C 0.978 177.492 176.519 -0.009 0.000 1.252 71 W CA 0.094 57.428 57.345 -0.018 0.000 1.304 71 W CB 0.322 29.771 29.460 -0.019 0.000 1.179 71 W HN 0.381 nan 8.180 nan 0.000 0.567 72 R N 3.353 124.033 120.500 0.300 0.000 2.750 72 R HA 0.337 4.676 4.340 -0.001 0.000 0.281 72 R C -0.843 175.553 176.300 0.161 0.000 0.972 72 R CA -1.024 55.182 56.100 0.178 0.000 0.912 72 R CB 1.320 31.691 30.300 0.118 0.000 1.187 72 R HN 0.452 nan 8.270 nan 0.000 0.464 73 K N 3.850 124.316 120.400 0.110 0.000 2.234 73 K HA 0.222 4.542 4.320 -0.001 0.000 0.282 73 K C -1.352 175.299 176.600 0.084 0.000 1.039 73 K CA -0.523 55.800 56.287 0.060 0.000 0.928 73 K CB 0.808 33.312 32.500 0.006 0.000 1.039 73 K HN 0.373 nan 8.250 nan 0.000 0.470 74 L N 5.772 127.048 121.223 0.088 0.000 2.342 74 L HA 0.332 4.672 4.340 -0.001 0.000 0.276 74 L C -1.490 175.442 176.870 0.103 0.000 0.997 74 L CA -0.578 54.344 54.840 0.138 0.000 0.838 74 L CB 1.695 43.870 42.059 0.195 0.000 1.224 74 L HN 0.351 nan 8.230 nan 0.000 0.416 75 V N 3.579 123.483 119.914 -0.017 0.000 2.439 75 V HA 0.305 4.425 4.120 -0.001 0.000 0.282 75 V C -0.231 175.767 176.094 -0.159 0.000 1.039 75 V CA -0.586 61.556 62.300 -0.263 0.000 0.913 75 V CB 1.466 32.875 31.823 -0.691 0.000 0.983 75 V HN 0.739 nan 8.190 nan 0.000 0.460 76 D N 3.629 124.008 120.400 -0.035 0.000 2.483 76 D HA 0.208 4.847 4.640 -0.001 0.000 0.220 76 D C 0.255 176.577 176.300 0.036 0.000 1.173 76 D CA -0.298 53.790 54.000 0.147 0.000 0.964 76 D CB 0.105 41.182 40.800 0.463 0.000 1.046 76 D HN 0.360 nan 8.370 nan 0.000 0.517 77 F N 1.785 121.839 119.950 0.174 0.000 2.725 77 F HA 0.235 4.762 4.527 -0.000 0.000 0.303 77 F C 2.077 177.961 175.800 0.141 0.000 1.167 77 F CA -0.138 57.955 58.000 0.154 0.000 1.403 77 F CB -0.081 39.031 39.000 0.186 0.000 1.077 77 F HN 0.267 nan 8.300 nan 0.000 0.537 78 R N 0.072 120.718 120.500 0.244 0.000 2.103 78 R HA -0.185 4.155 4.340 -0.001 0.000 0.242 78 R C 2.047 178.442 176.300 0.159 0.000 1.142 78 R CA 1.458 57.646 56.100 0.148 0.000 0.960 78 R CB -0.167 30.152 30.300 0.032 0.000 0.858 78 R HN 0.192 nan 8.270 nan 0.000 0.439 79 E N 0.619 120.922 120.200 0.172 0.000 2.028 79 E HA -0.157 4.192 4.350 -0.001 0.000 0.191 79 E C 1.967 178.666 176.600 0.165 0.000 0.988 79 E CA 0.810 57.298 56.400 0.146 0.000 0.799 79 E CB -0.319 29.458 29.700 0.128 0.000 0.755 79 E HN 0.123 nan 8.360 nan 0.000 0.447 80 L N 2.018 123.372 121.223 0.218 0.000 2.042 80 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 80 L C 1.643 178.700 176.870 0.312 0.000 1.076 80 L CA 1.606 56.568 54.840 0.203 0.000 0.749 80 L CB -0.621 41.551 42.059 0.188 0.000 0.893 80 L HN 0.026 nan 8.230 nan 0.000 0.432 81 N N 0.047 118.955 118.700 0.347 0.000 2.104 81 N HA -0.202 4.538 4.740 -0.001 0.000 0.190 81 N C 1.793 177.544 175.510 0.401 0.000 1.024 81 N CA 1.469 54.715 53.050 0.327 0.000 0.853 81 N CB -0.231 38.321 38.487 0.109 0.000 1.008 81 N HN 0.437 nan 8.380 nan 0.000 0.424 82 K N 0.598 121.157 120.400 0.265 0.000 2.209 82 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 82 K C 1.606 178.301 176.600 0.159 0.000 1.048 82 K CA 0.792 57.204 56.287 0.208 0.000 0.940 82 K CB 0.047 32.624 32.500 0.128 0.000 0.729 82 K HN 0.189 nan 8.250 nan 0.000 0.451 83 R N -0.012 120.579 120.500 0.151 0.000 2.317 83 R HA 0.072 4.412 4.340 -0.001 0.000 0.208 83 R C 0.221 176.589 176.300 0.113 0.000 0.914 83 R CA 0.318 56.467 56.100 0.081 0.000 1.060 83 R CB 0.545 30.850 30.300 0.008 0.000 1.015 83 R HN -0.024 nan 8.270 nan 0.000 0.498 84 T N 1.227 115.923 114.554 0.237 0.000 2.940 84 T HA 0.258 4.607 4.350 -0.001 0.000 0.288 84 T C -0.765 173.972 174.700 0.062 0.000 1.033 84 T CA -0.659 61.613 62.100 0.286 0.000 1.033 84 T CB 1.657 70.889 68.868 0.607 0.000 1.079 84 T HN 0.256 nan 8.240 nan 0.000 0.496 85 Q N 2.510 122.232 119.800 -0.129 0.000 2.150 85 Q HA -0.085 4.254 4.340 -0.001 0.000 0.247 85 Q C -0.400 175.449 176.000 -0.252 0.000 0.624 85 Q CA 0.167 55.680 55.803 -0.484 0.000 0.567 85 Q CB -1.339 26.656 28.738 -1.238 0.000 0.471 85 Q HN 0.824 nan 8.270 nan 0.000 0.361 86 D N 0.818 121.126 120.400 -0.153 0.000 4.578 86 D HA -0.310 4.330 4.640 -0.001 0.000 0.244 86 D C 0.422 176.641 176.300 -0.135 0.000 0.702 86 D CA 2.747 56.679 54.000 -0.113 0.000 1.778 86 D CB -1.289 39.485 40.800 -0.044 0.000 1.050 86 D HN 0.653 nan 8.370 nan 0.000 0.397 92 L N 2.919 124.106 121.223 -0.061 0.000 2.475 92 L HA 0.493 4.833 4.340 -0.001 0.000 0.253 92 L C 0.594 177.448 176.870 -0.026 0.000 1.137 92 L CA 0.338 55.155 54.840 -0.038 0.000 1.058 92 L CB -0.329 41.709 42.059 -0.035 0.000 1.382 92 L HN 0.505 nan 8.230 nan 0.000 0.416 93 G N 2.025 110.823 108.800 -0.004 0.000 2.621 93 G HA2 0.543 4.503 3.960 -0.001 0.000 0.271 93 G HA3 0.543 4.503 3.960 -0.001 0.000 0.271 93 G C -0.031 174.907 174.900 0.064 0.000 1.236 93 G CA -0.541 44.586 45.100 0.045 0.000 0.958 93 G HN 0.390 nan 8.290 nan 0.000 0.512 94 I N 1.296 121.933 120.570 0.111 0.000 2.339 94 I HA 0.238 4.408 4.170 -0.001 0.000 0.290 94 I C -1.983 174.282 176.117 0.248 0.000 0.994 94 I CA -1.632 59.756 61.300 0.146 0.000 1.191 94 I CB 1.834 39.900 38.000 0.108 0.000 1.343 94 I HN 0.205 nan 8.210 nan 0.000 0.458 95 P HA 0.079 nan 4.420 nan 0.000 0.271 95 P C -0.819 176.635 177.300 0.256 0.000 1.216 95 P CA -0.066 63.152 63.100 0.197 0.000 0.771 95 P CB 0.293 32.062 31.700 0.113 0.000 0.864 96 H N 4.215 123.319 119.070 0.057 0.000 2.652 96 H HA 0.300 4.855 4.556 -0.001 0.000 0.298 96 H C -1.944 173.248 175.328 -0.227 0.000 1.076 96 H CA -1.900 53.993 56.048 -0.259 0.000 1.360 96 H CB 0.226 29.798 29.762 -0.316 0.000 1.421 96 H HN 0.268 nan 8.280 nan 0.000 0.464 97 P HA 0.133 nan 4.420 nan 0.000 0.276 97 P C 0.016 176.921 177.300 -0.657 0.000 1.235 97 P CA -0.339 62.457 63.100 -0.507 0.000 0.772 97 P CB 1.609 33.126 31.700 -0.305 0.000 0.871 98 A N 3.393 126.022 122.820 -0.319 0.000 2.119 98 A HA 0.069 4.388 4.320 -0.001 0.000 0.216 98 A C 2.119 179.599 177.584 -0.173 0.000 1.152 98 A CA 1.420 53.336 52.037 -0.202 0.000 0.708 98 A CB -1.094 17.861 19.000 -0.075 0.000 0.805 98 A HN 0.632 nan 8.150 nan 0.000 0.460 99 G N -0.322 108.377 108.800 -0.167 0.000 2.448 99 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.218 99 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.218 99 G C 1.371 176.193 174.900 -0.129 0.000 1.135 99 G CA 0.913 45.942 45.100 -0.119 0.000 0.784 99 G HN 0.403 nan 8.290 nan 0.000 0.543 100 L N 1.745 122.860 121.223 -0.179 0.000 2.013 100 L HA -0.122 4.217 4.340 -0.001 0.000 0.212 100 L C 2.952 179.731 176.870 -0.152 0.000 1.073 100 L CA 2.619 57.371 54.840 -0.147 0.000 0.753 100 L CB -0.432 41.512 42.059 -0.191 0.000 0.890 100 L HN 0.462 nan 8.230 nan 0.000 0.432 101 K N -1.144 119.154 120.400 -0.170 0.000 2.360 101 K HA -0.169 4.150 4.320 -0.001 0.000 0.201 101 K C 1.640 178.129 176.600 -0.185 0.000 1.046 101 K CA 1.463 57.642 56.287 -0.181 0.000 0.945 101 K CB -0.301 32.106 32.500 -0.155 0.000 0.750 101 K HN 0.335 nan 8.250 nan 0.000 0.464 102 K N 0.605 120.918 120.400 -0.144 0.000 2.361 102 K HA 0.085 4.405 4.320 -0.001 0.000 0.194 102 K C -0.261 176.268 176.600 -0.118 0.000 1.032 102 K CA -0.163 56.054 56.287 -0.116 0.000 1.048 102 K CB 0.112 32.565 32.500 -0.079 0.000 0.842 102 K HN 0.205 nan 8.250 nan 0.000 0.526 103 N N 1.565 120.188 118.700 -0.129 0.000 2.479 103 N HA -0.018 4.721 4.740 -0.001 0.000 0.257 103 N C 0.655 176.084 175.510 -0.134 0.000 1.232 103 N CA 0.079 53.066 53.050 -0.106 0.000 0.920 103 N CB 0.736 39.175 38.487 -0.080 0.000 1.105 103 N HN -0.054 nan 8.380 nan 0.000 0.444 104 K N 0.186 120.528 120.400 -0.096 0.000 2.097 104 K HA -0.070 4.250 4.320 -0.001 0.000 0.206 104 K C 0.002 176.569 176.600 -0.055 0.000 1.049 104 K CA 0.874 57.113 56.287 -0.080 0.000 0.933 104 K CB 0.037 32.502 32.500 -0.059 0.000 0.717 104 K HN 0.683 nan 8.250 nan 0.000 0.442 105 S N -0.672 114.929 115.700 -0.164 0.000 2.536 105 S HA 0.503 4.973 4.470 -0.001 0.000 0.271 105 S C -0.798 173.605 174.600 -0.327 0.000 1.134 105 S CA -1.142 56.873 58.200 -0.308 0.000 0.897 105 S CB 2.369 65.294 63.200 -0.458 0.000 1.094 105 S HN -0.158 nan 8.310 nan 0.000 0.473 106 V N 1.949 121.712 119.914 -0.252 0.000 2.531 106 V HA 0.646 4.765 4.120 -0.001 0.000 0.301 106 V C -0.362 175.750 176.094 0.031 0.000 1.034 106 V CA -0.414 61.870 62.300 -0.026 0.000 0.865 106 V CB 1.986 33.823 31.823 0.023 0.000 0.995 106 V HN 1.044 nan 8.190 nan 0.000 0.424 107 T N 3.939 118.582 114.554 0.149 0.000 2.797 107 T HA 0.573 4.922 4.350 -0.001 0.000 0.279 107 T C -0.328 174.350 174.700 -0.038 0.000 0.991 107 T CA -0.402 61.749 62.100 0.085 0.000 0.979 107 T CB 1.703 70.663 68.868 0.153 0.000 0.943 107 T HN 0.378 nan 8.240 nan 0.000 0.444 108 V N 4.563 124.405 119.914 -0.119 0.000 2.383 108 V HA 0.476 4.595 4.120 -0.001 0.000 0.275 108 V C -0.618 175.353 176.094 -0.205 0.000 1.036 108 V CA -0.787 61.332 62.300 -0.301 0.000 0.889 108 V CB 1.014 32.650 31.823 -0.312 0.000 0.985 108 V HN 0.569 nan 8.190 nan 0.000 0.459 109 L N 4.031 125.120 121.223 -0.223 0.000 2.356 109 L HA 0.495 4.834 4.340 -0.001 0.000 0.277 109 L C -0.101 176.678 176.870 -0.151 0.000 0.996 109 L CA -0.175 54.572 54.840 -0.155 0.000 0.822 109 L CB 1.707 43.684 42.059 -0.136 0.000 1.256 109 L HN 0.651 nan 8.230 nan 0.000 0.413 110 D N 2.740 123.062 120.400 -0.130 0.000 2.339 110 D HA 0.123 4.763 4.640 -0.001 0.000 0.256 110 D C 0.560 176.759 176.300 -0.169 0.000 1.214 110 D CA 0.071 53.992 54.000 -0.132 0.000 0.877 110 D CB 1.367 42.101 40.800 -0.111 0.000 1.111 110 D HN 0.358 nan 8.370 nan 0.000 0.478 111 V N 1.838 121.616 119.914 -0.227 0.000 3.176 111 V HA 0.384 4.503 4.120 -0.001 0.000 0.332 111 V C 1.700 177.420 176.094 -0.623 0.000 1.414 111 V CA 0.352 62.452 62.300 -0.333 0.000 1.133 111 V CB 0.390 32.051 31.823 -0.270 0.000 1.088 111 V HN 0.475 nan 8.190 nan 0.000 0.473 112 G N 0.553 109.025 108.800 -0.545 0.000 2.450 112 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 112 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 112 G C 1.073 175.449 174.900 -0.874 0.000 1.130 112 G CA 1.185 45.856 45.100 -0.714 0.000 0.760 112 G HN 0.505 nan 8.290 nan 0.000 0.557 113 D N 0.736 120.794 120.400 -0.570 0.000 2.309 113 D HA 0.000 4.640 4.640 -0.001 0.000 0.212 113 D C 2.672 178.680 176.300 -0.486 0.000 0.968 113 D CA 0.871 54.598 54.000 -0.455 0.000 0.882 113 D CB -0.076 40.642 40.800 -0.137 0.000 0.918 113 D HN 0.343 nan 8.370 nan 0.000 0.503 114 A N 0.378 122.811 122.820 -0.646 0.000 1.898 114 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 114 A C 1.736 178.949 177.584 -0.618 0.000 1.181 114 A CA 0.870 52.552 52.037 -0.592 0.000 0.620 114 A CB -0.930 17.570 19.000 -0.834 0.000 0.819 114 A HN 0.172 nan 8.150 nan 0.000 0.442 115 Y N -0.569 119.274 120.300 -0.760 0.000 2.298 115 Y HA -0.201 4.349 4.550 -0.001 0.000 0.287 115 Y C 1.769 177.585 175.900 -0.139 0.000 1.164 115 Y CA 0.401 58.175 58.100 -0.543 0.000 1.229 115 Y CB -1.223 36.942 38.460 -0.491 0.000 0.977 115 Y HN 0.356 nan 8.280 nan 0.000 0.538 116 F N -0.996 119.022 119.950 0.114 0.000 2.771 116 F HA -0.050 4.477 4.527 -0.001 0.000 0.299 116 F C 2.112 177.997 175.800 0.143 0.000 1.177 116 F CA 0.240 58.328 58.000 0.147 0.000 1.450 116 F CB -0.978 38.095 39.000 0.122 0.000 1.114 116 F HN -0.073 nan 8.300 nan 0.000 0.587 117 S N -0.799 115.074 115.700 0.289 0.000 2.387 117 S HA 0.052 4.522 4.470 -0.001 0.000 0.221 117 S C 0.875 175.635 174.600 0.266 0.000 1.041 117 S CA 0.095 58.453 58.200 0.263 0.000 0.959 117 S CB -0.064 63.304 63.200 0.281 0.000 0.843 117 S HN -0.045 nan 8.310 nan 0.000 0.488 118 V N 5.694 125.788 119.914 0.299 0.000 2.470 118 V HA 0.195 4.315 4.120 -0.001 0.000 0.276 118 V C -2.124 174.115 176.094 0.241 0.000 1.040 118 V CA -1.788 60.678 62.300 0.277 0.000 1.008 118 V CB 0.187 32.210 31.823 0.334 0.000 0.990 118 V HN 0.253 nan 8.190 nan 0.000 0.477 119 P HA 0.174 nan 4.420 nan 0.000 0.271 119 P C -0.671 176.738 177.300 0.182 0.000 1.218 119 P CA -0.473 62.737 63.100 0.183 0.000 0.780 119 P CB 1.286 33.072 31.700 0.144 0.000 0.901 120 L N 2.399 123.738 121.223 0.193 0.000 2.334 120 L HA 0.343 4.682 4.340 -0.001 0.000 0.277 120 L C 0.128 177.098 176.870 0.166 0.000 1.075 120 L CA -0.465 54.492 54.840 0.194 0.000 0.804 120 L CB 0.267 42.463 42.059 0.228 0.000 1.174 120 L HN 0.282 nan 8.230 nan 0.000 0.438 121 D N 2.462 122.957 120.400 0.157 0.000 2.581 121 D HA -0.089 4.551 4.640 -0.001 0.000 0.238 121 D C 0.905 177.298 176.300 0.155 0.000 1.145 121 D CA 0.495 54.582 54.000 0.145 0.000 0.866 121 D CB 0.906 41.790 40.800 0.140 0.000 1.151 121 D HN 0.640 nan 8.370 nan 0.000 0.500 122 E N 2.474 122.739 120.200 0.108 0.000 2.108 122 E HA -0.209 4.140 4.350 -0.001 0.000 0.203 122 E C 1.117 177.750 176.600 0.056 0.000 1.022 122 E CA 1.679 58.124 56.400 0.075 0.000 0.823 122 E CB -0.029 29.704 29.700 0.055 0.000 0.744 122 E HN 0.590 nan 8.360 nan 0.000 0.456 123 D N -1.236 119.209 120.400 0.075 0.000 2.363 123 D HA -0.063 4.577 4.640 -0.001 0.000 0.226 123 D C 1.162 177.488 176.300 0.045 0.000 1.020 123 D CA 0.367 54.395 54.000 0.047 0.000 0.892 123 D CB -0.019 40.826 40.800 0.075 0.000 0.900 123 D HN 0.186 nan 8.370 nan 0.000 0.531 124 F N 1.141 121.065 119.950 -0.043 0.000 2.622 124 F HA 0.139 4.666 4.527 -0.001 0.000 0.288 124 F C 2.104 177.824 175.800 -0.134 0.000 1.120 124 F CA -0.077 57.903 58.000 -0.034 0.000 1.423 124 F CB 0.343 39.359 39.000 0.026 0.000 1.127 124 F HN -0.300 nan 8.300 nan 0.000 0.588 125 R N 1.354 121.839 120.500 -0.027 0.000 2.134 125 R HA -0.290 4.050 4.340 -0.001 0.000 0.248 125 R C 2.194 178.390 176.300 -0.173 0.000 1.143 125 R CA 2.407 58.484 56.100 -0.039 0.000 0.957 125 R CB -0.857 29.462 30.300 0.031 0.000 0.867 125 R HN 0.410 nan 8.270 nan 0.000 0.441 126 K N 0.020 120.232 120.400 -0.312 0.000 2.089 126 K HA -0.223 4.096 4.320 -0.001 0.000 0.210 126 K C 1.541 177.971 176.600 -0.283 0.000 1.048 126 K CA 2.066 58.174 56.287 -0.297 0.000 0.926 126 K CB -0.596 31.675 32.500 -0.380 0.000 0.714 126 K HN 0.225 nan 8.250 nan 0.000 0.448 127 Y N 2.258 122.271 120.300 -0.478 0.000 2.571 127 Y HA -0.049 4.501 4.550 -0.001 0.000 0.294 127 Y C 2.177 177.875 175.900 -0.337 0.000 1.141 127 Y CA 1.141 58.844 58.100 -0.660 0.000 1.308 127 Y CB -0.603 37.184 38.460 -1.123 0.000 1.002 127 Y HN 0.382 nan 8.280 nan 0.000 0.551 128 T N -2.473 112.055 114.554 -0.044 0.000 3.163 128 T HA 0.521 4.870 4.350 -0.001 0.000 0.252 128 T C 0.793 175.759 174.700 0.444 0.000 1.056 128 T CA -0.047 62.208 62.100 0.258 0.000 0.947 128 T CB -0.622 68.395 68.868 0.247 0.000 1.016 128 T HN 0.194 nan 8.240 nan 0.000 0.554 129 A N 1.787 124.766 122.820 0.266 0.000 2.498 129 A HA 0.561 4.880 4.320 -0.001 0.000 0.239 129 A C -0.074 177.683 177.584 0.289 0.000 1.068 129 A CA -0.458 51.701 52.037 0.203 0.000 0.766 129 A CB -0.431 18.636 19.000 0.111 0.000 1.003 129 A HN 0.819 nan 8.150 nan 0.000 0.497 130 F N -0.794 119.218 119.950 0.104 0.000 2.662 130 F HA 0.816 5.342 4.527 -0.001 0.000 0.312 130 F C -0.417 175.404 175.800 0.035 0.000 1.113 130 F CA -0.806 57.221 58.000 0.046 0.000 0.951 130 F CB 1.341 40.364 39.000 0.038 0.000 1.344 130 F HN 0.372 nan 8.300 nan 0.000 0.462 131 T N 2.466 117.122 114.554 0.170 0.000 2.861 131 T HA 0.580 4.929 4.350 -0.001 0.000 0.287 131 T C -0.571 174.201 174.700 0.120 0.000 1.003 131 T CA -0.457 61.668 62.100 0.042 0.000 0.977 131 T CB 1.641 70.488 68.868 -0.035 0.000 0.996 131 T HN 0.592 nan 8.240 nan 0.000 0.448 132 I N 5.391 126.016 120.570 0.092 0.000 2.306 132 I HA 0.276 4.446 4.170 -0.001 0.000 0.288 132 I C -1.888 174.229 176.117 -0.000 0.000 1.036 132 I CA -2.270 59.077 61.300 0.078 0.000 1.221 132 I CB 1.208 39.284 38.000 0.127 0.000 1.385 132 I HN 0.317 nan 8.210 nan 0.000 0.472 133 P HA 0.155 nan 4.420 nan 0.000 0.275 133 P C -0.603 176.673 177.300 -0.041 0.000 1.266 133 P CA -0.287 62.788 63.100 -0.042 0.000 0.793 133 P CB 1.108 32.780 31.700 -0.047 0.000 1.074 134 S N -0.988 114.686 115.700 -0.044 0.000 2.568 134 S HA 0.563 5.032 4.470 -0.001 0.000 0.293 134 S C -0.015 174.561 174.600 -0.039 0.000 1.089 134 S CA -0.961 57.214 58.200 -0.042 0.000 0.945 134 S CB 0.533 63.708 63.200 -0.042 0.000 1.077 134 S HN 0.264 nan 8.310 nan 0.000 0.485 135 I N 2.640 123.187 120.570 -0.038 0.000 2.588 135 I HA 0.179 4.348 4.170 -0.001 0.000 0.283 135 I C 1.098 177.197 176.117 -0.029 0.000 1.119 135 I CA 0.153 61.432 61.300 -0.034 0.000 1.419 135 I CB -0.142 37.837 38.000 -0.034 0.000 1.394 135 I HN 0.976 nan 8.210 nan 0.000 0.562 136 N N 4.837 123.522 118.700 -0.026 0.000 2.708 136 N HA -0.273 4.466 4.740 -0.001 0.000 0.251 136 N C -0.070 175.425 175.510 -0.025 0.000 1.123 136 N CA 1.046 54.083 53.050 -0.023 0.000 0.739 136 N CB -1.014 37.461 38.487 -0.020 0.000 1.113 136 N HN 0.812 nan 8.380 nan 0.000 0.561 137 N N -1.021 117.662 118.700 -0.030 0.000 2.716 137 N HA -0.250 4.490 4.740 -0.001 0.000 0.250 137 N C 0.916 176.406 175.510 -0.033 0.000 1.033 137 N CA 1.359 54.389 53.050 -0.033 0.000 0.727 137 N CB -1.071 37.397 38.487 -0.032 0.000 0.950 137 N HN 0.879 nan 8.380 nan 0.000 0.541 138 E N -1.529 118.652 120.200 -0.032 0.000 2.046 138 E HA -0.042 4.307 4.350 -0.001 0.000 0.190 138 E C 0.305 176.884 176.600 -0.035 0.000 0.982 138 E CA 0.699 57.081 56.400 -0.031 0.000 0.800 138 E CB 0.019 29.703 29.700 -0.028 0.000 0.756 138 E HN 0.128 nan 8.360 nan 0.000 0.449 139 T N 2.256 116.786 114.554 -0.040 0.000 2.895 139 T HA 0.369 4.718 4.350 -0.001 0.000 0.283 139 T C -2.591 172.078 174.700 -0.053 0.000 1.014 139 T CA -1.896 60.176 62.100 -0.046 0.000 1.037 139 T CB 1.768 70.609 68.868 -0.046 0.000 1.006 139 T HN 0.004 nan 8.240 nan 0.000 0.468 140 P HA 0.305 nan 4.420 nan 0.000 0.275 140 P C 0.209 177.461 177.300 -0.080 0.000 1.228 140 P CA -0.402 62.657 63.100 -0.070 0.000 0.786 140 P CB 0.292 31.947 31.700 -0.076 0.000 0.927 141 G N 1.991 110.742 108.800 -0.082 0.000 2.562 141 G HA2 0.131 4.090 3.960 -0.001 0.000 0.233 141 G HA3 0.131 4.090 3.960 -0.001 0.000 0.233 141 G C -0.146 174.681 174.900 -0.122 0.000 1.266 141 G CA -0.476 44.573 45.100 -0.086 0.000 0.852 141 G HN 0.450 nan 8.290 nan 0.000 0.581 142 I N 2.076 122.574 120.570 -0.119 0.000 2.337 142 I HA 0.234 4.404 4.170 -0.001 0.000 0.291 142 I C 0.507 176.445 176.117 -0.299 0.000 1.046 142 I CA -0.311 60.859 61.300 -0.216 0.000 1.324 142 I CB 0.659 38.582 38.000 -0.128 0.000 1.409 142 I HN 0.205 nan 8.210 nan 0.000 0.494 143 R N 6.427 126.659 120.500 -0.446 0.000 2.393 143 R HA 0.612 4.951 4.340 -0.001 0.000 0.310 143 R C -1.293 174.609 176.300 -0.664 0.000 0.968 143 R CA -0.750 55.086 56.100 -0.441 0.000 0.867 143 R CB 1.783 31.907 30.300 -0.294 0.000 1.124 143 R HN 0.469 nan 8.270 nan 0.000 0.450 144 Y N -0.074 119.837 120.300 -0.648 0.000 2.677 144 Y HA 0.298 4.848 4.550 -0.001 0.000 0.334 144 Y C 0.147 175.719 175.900 -0.547 0.000 1.154 144 Y CA -0.938 56.783 58.100 -0.632 0.000 1.070 144 Y CB 2.078 40.042 38.460 -0.827 0.000 1.294 144 Y HN 0.476 nan 8.280 nan 0.000 0.475 145 Q N -0.586 119.166 119.800 -0.080 0.000 2.553 145 Q HA 0.540 4.879 4.340 -0.001 0.000 0.293 145 Q C -2.195 173.869 176.000 0.107 0.000 1.038 145 Q CA -1.130 54.721 55.803 0.081 0.000 0.777 145 Q CB 2.253 31.021 28.738 0.050 0.000 1.487 145 Q HN 0.632 nan 8.270 nan 0.000 0.426 146 Y N 0.659 121.073 120.300 0.190 0.000 2.320 146 Y HA 0.292 4.841 4.550 -0.001 0.000 0.324 146 Y C 0.446 176.422 175.900 0.126 0.000 1.190 146 Y CA 0.098 58.309 58.100 0.184 0.000 1.215 146 Y CB 1.643 40.241 38.460 0.230 0.000 1.221 146 Y HN 0.781 nan 8.280 nan 0.000 0.486 147 N N 0.134 118.976 118.700 0.238 0.000 2.273 147 N HA 0.127 4.866 4.740 -0.001 0.000 0.192 147 N C -0.859 174.792 175.510 0.234 0.000 1.132 147 N CA 0.049 53.207 53.050 0.181 0.000 0.887 147 N CB 0.977 39.527 38.487 0.105 0.000 1.048 147 N HN 0.324 nan 8.380 nan 0.000 0.490 148 V N -1.473 118.644 119.914 0.339 0.000 3.046 148 V HA 0.490 4.610 4.120 -0.001 0.000 0.316 148 V C -0.078 176.268 176.094 0.419 0.000 1.104 148 V CA -1.343 61.177 62.300 0.368 0.000 1.006 148 V CB 1.408 33.472 31.823 0.402 0.000 1.058 148 V HN -0.060 nan 8.190 nan 0.000 0.440 149 L N 3.694 125.121 121.223 0.340 0.000 2.628 149 L HA 0.239 4.578 4.340 -0.001 0.000 0.274 149 L C -2.002 175.024 176.870 0.260 0.000 1.209 149 L CA -0.795 54.196 54.840 0.251 0.000 0.930 149 L CB 0.136 42.263 42.059 0.114 0.000 1.183 149 L HN 0.562 nan 8.230 nan 0.000 0.492 150 P HA 0.167 nan 4.420 nan 0.000 0.286 150 P C -1.151 176.194 177.300 0.075 0.000 1.261 150 P CA -0.712 62.259 63.100 -0.215 0.000 0.821 150 P CB 0.929 32.135 31.700 -0.823 0.000 1.013 151 Q N 0.605 120.552 119.800 0.245 0.000 2.332 151 Q HA 0.392 4.731 4.340 -0.001 0.000 0.263 151 Q C 1.186 177.394 176.000 0.347 0.000 0.979 151 Q CA 0.819 56.785 55.803 0.270 0.000 0.885 151 Q CB 0.141 29.025 28.738 0.244 0.000 1.218 151 Q HN 0.882 nan 8.270 nan 0.000 0.405 152 G N 1.796 110.780 108.800 0.307 0.000 2.234 152 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.235 152 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.235 152 G C -0.717 174.422 174.900 0.398 0.000 0.997 152 G CA -0.194 45.155 45.100 0.415 0.000 0.623 152 G HN 0.655 nan 8.290 nan 0.000 0.514 153 W N 3.041 124.277 121.300 -0.107 0.000 2.331 153 W HA 0.731 5.390 4.660 -0.001 0.000 0.306 153 W C 1.065 177.363 176.519 -0.369 0.000 1.162 153 W CA -0.947 56.153 57.345 -0.409 0.000 1.232 153 W CB 0.735 29.710 29.460 -0.807 0.000 1.235 153 W HN 0.042 nan 8.180 nan 0.000 0.479 154 K N 3.172 123.110 120.400 -0.770 0.000 2.442 154 K HA -0.097 4.223 4.320 -0.001 0.000 0.199 154 K C 1.989 177.890 176.600 -1.165 0.000 1.044 154 K CA 1.246 56.932 56.287 -1.001 0.000 0.941 154 K CB -0.047 31.582 32.500 -1.451 0.000 0.759 154 K HN 0.758 nan 8.250 nan 0.000 0.472 155 G N 0.320 107.844 108.800 -2.127 0.000 2.430 155 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.216 155 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.216 155 G C 1.417 175.482 174.900 -1.392 0.000 1.146 155 G CA 0.363 44.109 45.100 -2.257 0.000 0.793 155 G HN 0.165 nan 8.290 nan 0.000 0.537 156 S N 1.890 116.918 115.700 -1.119 0.000 2.353 156 S HA -0.092 4.378 4.470 -0.001 0.000 0.222 156 S C 0.053 174.157 174.600 -0.828 0.000 1.035 156 S CA 1.639 59.341 58.200 -0.830 0.000 1.025 156 S CB -0.984 61.594 63.200 -1.037 0.000 0.902 156 S HN 0.315 nan 8.310 nan 0.000 0.440 157 P HA 0.052 nan 4.420 nan 0.000 0.217 157 P C 1.409 178.600 177.300 -0.182 0.000 1.150 157 P CA 1.304 64.222 63.100 -0.303 0.000 0.832 157 P CB -0.138 31.418 31.700 -0.241 0.000 0.787 158 A N -0.529 122.121 122.820 -0.283 0.000 1.902 158 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 158 A C 2.212 179.711 177.584 -0.142 0.000 1.181 158 A CA 1.535 53.459 52.037 -0.190 0.000 0.623 158 A CB -1.601 17.262 19.000 -0.227 0.000 0.818 158 A HN 0.123 nan 8.150 nan 0.000 0.443 159 I N -2.547 117.918 120.570 -0.175 0.000 2.333 159 I HA -0.125 4.045 4.170 -0.001 0.000 0.246 159 I C 2.131 178.260 176.117 0.020 0.000 1.106 159 I CA 0.983 62.237 61.300 -0.076 0.000 1.411 159 I CB -0.164 37.793 38.000 -0.072 0.000 1.082 159 I HN 0.366 nan 8.210 nan 0.000 0.420 160 F N 1.673 121.550 119.950 -0.122 0.000 2.748 160 F HA -0.091 4.435 4.527 -0.001 0.000 0.299 160 F C 2.321 178.103 175.800 -0.030 0.000 1.154 160 F CA 0.829 58.814 58.000 -0.025 0.000 1.446 160 F CB -0.285 38.771 39.000 0.094 0.000 1.112 160 F HN 0.072 nan 8.300 nan 0.000 0.584 161 Q N -0.016 119.771 119.800 -0.023 0.000 2.047 161 Q HA -0.322 4.018 4.340 -0.001 0.000 0.211 161 Q C 2.549 178.446 176.000 -0.171 0.000 1.005 161 Q CA 2.839 58.598 55.803 -0.073 0.000 0.866 161 Q CB -0.660 28.049 28.738 -0.048 0.000 0.938 161 Q HN 0.548 nan 8.270 nan 0.000 0.414 162 S N 0.325 115.924 115.700 -0.168 0.000 2.378 162 S HA -0.240 4.229 4.470 -0.001 0.000 0.229 162 S C 2.116 176.548 174.600 -0.280 0.000 1.052 162 S CA 1.895 59.991 58.200 -0.174 0.000 1.084 162 S CB -0.639 62.487 63.200 -0.124 0.000 0.950 162 S HN 0.232 nan 8.310 nan 0.000 0.440 163 S N 1.272 116.681 115.700 -0.484 0.000 2.406 163 S HA 0.110 4.580 4.470 -0.001 0.000 0.228 163 S C 1.796 175.941 174.600 -0.759 0.000 1.020 163 S CA 1.249 59.039 58.200 -0.684 0.000 0.965 163 S CB -0.441 62.152 63.200 -1.011 0.000 0.798 163 S HN 0.484 nan 8.310 nan 0.000 0.488 164 M N 2.511 121.703 119.600 -0.679 0.000 2.132 164 M HA -0.099 4.381 4.480 -0.001 0.000 0.263 164 M C 2.236 178.369 176.300 -0.279 0.000 1.065 164 M CA 1.899 56.983 55.300 -0.360 0.000 1.122 164 M CB -1.289 31.260 32.600 -0.086 0.000 1.365 164 M HN 0.434 nan 8.290 nan 0.000 0.411 165 T N -2.092 112.329 114.554 -0.221 0.000 2.788 165 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 165 T C 1.832 176.431 174.700 -0.169 0.000 1.044 165 T CA 1.620 63.632 62.100 -0.148 0.000 1.139 165 T CB -0.506 68.304 68.868 -0.097 0.000 0.867 165 T HN 0.457 nan 8.240 nan 0.000 0.454 166 K N 0.951 121.207 120.400 -0.239 0.000 2.025 166 K HA 0.111 4.430 4.320 -0.001 0.000 0.207 166 K C 2.328 178.755 176.600 -0.288 0.000 1.049 166 K CA 1.543 57.705 56.287 -0.209 0.000 0.933 166 K CB -0.451 31.926 32.500 -0.204 0.000 0.714 166 K HN 0.355 nan 8.250 nan 0.000 0.438 167 I N 1.231 121.434 120.570 -0.611 0.000 2.194 167 I HA -0.299 3.870 4.170 -0.001 0.000 0.246 167 I C 1.992 177.945 176.117 -0.273 0.000 1.093 167 I CA 1.440 62.302 61.300 -0.729 0.000 1.355 167 I CB -0.288 37.141 38.000 -0.951 0.000 1.046 167 I HN 0.124 nan 8.210 nan 0.000 0.413 168 L N -0.099 120.998 121.223 -0.211 0.000 2.509 168 L HA -0.021 4.319 4.340 -0.001 0.000 0.222 168 L C 2.312 179.160 176.870 -0.037 0.000 1.123 168 L CA 0.268 55.041 54.840 -0.112 0.000 0.856 168 L CB -0.461 41.549 42.059 -0.082 0.000 0.985 168 L HN 0.230 nan 8.230 nan 0.000 0.456 169 E N 1.288 121.466 120.200 -0.038 0.000 2.065 169 E HA -0.241 4.109 4.350 -0.001 0.000 0.201 169 E C -0.572 176.039 176.600 0.018 0.000 1.016 169 E CA 1.978 58.376 56.400 -0.004 0.000 0.818 169 E CB -0.541 29.160 29.700 0.002 0.000 0.749 169 E HN 0.292 nan 8.360 nan 0.000 0.453 170 P HA -0.144 nan 4.420 nan 0.000 0.215 170 P C 1.093 178.405 177.300 0.019 0.000 1.157 170 P CA 1.083 64.232 63.100 0.081 0.000 0.868 170 P CB -0.187 31.641 31.700 0.213 0.000 0.788 171 F N 0.483 120.280 119.950 -0.255 0.000 2.171 171 F HA -0.158 4.369 4.527 -0.001 0.000 0.300 171 F C 2.236 177.947 175.800 -0.148 0.000 1.090 171 F CA 1.427 59.239 58.000 -0.314 0.000 1.293 171 F CB -0.194 38.466 39.000 -0.566 0.000 1.013 171 F HN -0.277 nan 8.300 nan 0.000 0.486 172 R N 0.603 121.094 120.500 -0.015 0.000 2.062 172 R HA -0.122 4.218 4.340 -0.001 0.000 0.231 172 R C 2.191 178.431 176.300 -0.100 0.000 1.136 172 R CA 1.587 57.662 56.100 -0.042 0.000 0.948 172 R CB -0.590 29.716 30.300 0.010 0.000 0.845 172 R HN 0.319 nan 8.270 nan 0.000 0.430 173 K N 0.620 120.978 120.400 -0.070 0.000 2.147 173 K HA -0.178 4.141 4.320 -0.001 0.000 0.205 173 K C 2.164 178.707 176.600 -0.094 0.000 1.049 173 K CA 1.253 57.503 56.287 -0.061 0.000 0.936 173 K CB -0.051 32.433 32.500 -0.026 0.000 0.722 173 K HN 0.238 nan 8.250 nan 0.000 0.446 174 Q N 0.445 120.157 119.800 -0.147 0.000 2.187 174 Q HA -0.046 4.294 4.340 -0.001 0.000 0.199 174 Q C -0.284 175.568 176.000 -0.246 0.000 0.957 174 Q CA 0.972 56.669 55.803 -0.176 0.000 0.857 174 Q CB 0.317 28.943 28.738 -0.185 0.000 0.929 174 Q HN 0.276 nan 8.270 nan 0.000 0.453 175 N N -0.052 118.438 118.700 -0.351 0.000 2.733 175 N HA 0.112 4.851 4.740 -0.001 0.000 0.271 175 N C -2.389 173.001 175.510 -0.199 0.000 1.720 175 N CA -0.832 52.025 53.050 -0.323 0.000 0.803 175 N CB 1.383 39.539 38.487 -0.552 0.000 1.208 175 N HN 0.023 nan 8.380 nan 0.000 0.498 176 P HA -0.056 nan 4.420 nan 0.000 0.234 176 P C -0.115 177.157 177.300 -0.046 0.000 1.167 176 P CA 0.949 64.007 63.100 -0.070 0.000 0.763 176 P CB 0.532 32.199 31.700 -0.054 0.000 0.835 177 D N -0.369 120.001 120.400 -0.049 0.000 2.348 177 D HA 0.116 4.755 4.640 -0.001 0.000 0.211 177 D C 1.040 177.337 176.300 -0.005 0.000 0.998 177 D CA 0.198 54.184 54.000 -0.025 0.000 0.873 177 D CB 0.128 40.914 40.800 -0.023 0.000 0.925 177 D HN 0.270 nan 8.370 nan 0.000 0.524 178 I N 1.424 121.992 120.570 -0.003 0.000 2.474 178 I HA 0.049 4.219 4.170 -0.001 0.000 0.287 178 I C 0.088 176.247 176.117 0.070 0.000 1.048 178 I CA -0.470 60.863 61.300 0.056 0.000 1.383 178 I CB 1.599 39.657 38.000 0.097 0.000 1.412 178 I HN -0.367 nan 8.210 nan 0.000 0.531 179 V N 7.221 127.184 119.914 0.082 0.000 2.407 179 V HA 0.363 4.483 4.120 -0.001 0.000 0.278 179 V C 0.184 176.354 176.094 0.126 0.000 1.037 179 V CA -0.480 61.865 62.300 0.074 0.000 0.900 179 V CB 1.508 33.349 31.823 0.029 0.000 0.983 179 V HN 0.400 nan 8.190 nan 0.000 0.459 180 I N 5.363 126.014 120.570 0.134 0.000 2.410 180 I HA 0.384 4.553 4.170 -0.001 0.000 0.286 180 I C -1.085 175.172 176.117 0.233 0.000 1.009 180 I CA -0.548 60.850 61.300 0.163 0.000 1.111 180 I CB 1.539 39.608 38.000 0.115 0.000 1.262 180 I HN 0.650 nan 8.210 nan 0.000 0.443 181 Y N 6.186 126.575 120.300 0.147 0.000 2.376 181 Y HA 0.412 4.962 4.550 -0.001 0.000 0.340 181 Y C -0.286 175.784 175.900 0.283 0.000 0.965 181 Y CA -0.823 57.380 58.100 0.171 0.000 1.078 181 Y CB 1.657 40.190 38.460 0.122 0.000 1.193 181 Y HN 0.616 nan 8.280 nan 0.000 0.452 182 Q N 5.808 125.404 119.800 -0.340 0.000 2.307 182 Q HA 0.355 4.695 4.340 -0.001 0.000 0.262 182 Q C -2.260 173.437 176.000 -0.506 0.000 0.961 182 Q CA -0.783 54.873 55.803 -0.244 0.000 0.882 182 Q CB 1.137 29.831 28.738 -0.074 0.000 1.264 182 Q HN 0.771 nan 8.270 nan 0.000 0.446 183 Y N 6.546 126.689 120.300 -0.263 0.000 2.327 183 Y HA 0.313 4.862 4.550 -0.001 0.000 0.325 183 Y C 0.064 176.014 175.900 0.084 0.000 0.999 183 Y CA -0.428 57.582 58.100 -0.150 0.000 1.195 183 Y CB 0.708 39.119 38.460 -0.082 0.000 1.132 183 Y HN 0.985 nan 8.280 nan 0.000 0.455 184 M N 1.431 120.754 119.600 -0.460 0.000 7.319 184 M HA -0.414 4.066 4.480 -0.001 0.000 0.321 184 M C 0.151 176.507 176.300 0.094 0.000 0.480 184 M CA 2.172 57.344 55.300 -0.214 0.000 1.311 184 M CB -0.912 31.608 32.600 -0.132 0.000 0.421 184 M HN 0.629 nan 8.290 nan 0.000 0.817 185 D N 1.232 121.741 120.400 0.181 0.000 2.349 185 D HA 0.140 4.780 4.640 -0.001 0.000 0.224 185 D C -0.224 176.090 176.300 0.023 0.000 1.029 185 D CA 0.739 54.807 54.000 0.114 0.000 0.879 185 D CB -0.145 40.701 40.800 0.077 0.000 0.906 185 D HN 0.317 nan 8.370 nan 0.000 0.528 186 D N 0.088 120.560 120.400 0.119 0.000 2.350 186 D HA 0.367 5.007 4.640 -0.001 0.000 0.238 186 D C -0.018 176.305 176.300 0.038 0.000 0.989 186 D CA -0.531 53.492 54.000 0.038 0.000 0.921 186 D CB 2.377 43.197 40.800 0.034 0.000 1.297 186 D HN -0.093 nan 8.370 nan 0.000 0.490 187 L N 1.353 122.520 121.223 -0.094 0.000 2.341 187 L HA 0.354 4.694 4.340 -0.001 0.000 0.278 187 L C -1.175 175.612 176.870 -0.138 0.000 1.005 187 L CA -0.827 53.996 54.840 -0.028 0.000 0.818 187 L CB 1.218 43.243 42.059 -0.057 0.000 1.259 187 L HN 0.280 nan 8.230 nan 0.000 0.418 188 Y N 2.778 123.140 120.300 0.104 0.000 2.331 188 Y HA 0.461 5.010 4.550 -0.001 0.000 0.338 188 Y C -0.151 175.823 175.900 0.123 0.000 0.976 188 Y CA -0.788 57.400 58.100 0.146 0.000 1.137 188 Y CB 1.842 40.449 38.460 0.245 0.000 1.172 188 Y HN 0.123 nan 8.280 nan 0.000 0.478 189 V N 3.278 123.299 119.914 0.179 0.000 2.407 189 V HA 0.728 4.848 4.120 -0.001 0.000 0.291 189 V C 0.154 176.382 176.094 0.222 0.000 1.018 189 V CA -0.765 61.631 62.300 0.161 0.000 0.842 189 V CB 1.396 33.259 31.823 0.067 0.000 0.996 189 V HN 0.915 nan 8.190 nan 0.000 0.426 190 G N 2.796 111.713 108.800 0.196 0.000 2.513 190 G HA2 0.753 4.713 3.960 -0.001 0.000 0.317 190 G HA3 0.753 4.713 3.960 -0.001 0.000 0.317 190 G C -0.517 174.482 174.900 0.165 0.000 1.277 190 G CA -0.252 44.946 45.100 0.163 0.000 0.955 190 G HN 0.931 nan 8.290 nan 0.000 0.484 191 S N -0.003 115.801 115.700 0.173 0.000 2.618 191 S HA 0.516 4.986 4.470 -0.001 0.000 0.277 191 S C -0.676 173.958 174.600 0.056 0.000 1.138 191 S CA -0.793 57.497 58.200 0.150 0.000 0.844 191 S CB 2.457 65.827 63.200 0.282 0.000 1.127 191 S HN 0.324 nan 8.310 nan 0.000 0.474 192 D N 0.678 121.101 120.400 0.039 0.000 2.363 192 D HA 0.284 4.924 4.640 -0.001 0.000 0.214 192 D C 0.457 176.769 176.300 0.020 0.000 1.093 192 D CA 0.040 54.043 54.000 0.005 0.000 0.837 192 D CB 0.073 40.869 40.800 -0.006 0.000 0.948 192 D HN 0.442 nan 8.370 nan 0.000 0.507 193 L N 1.180 122.441 121.223 0.063 0.000 2.479 193 L HA 0.017 4.357 4.340 -0.001 0.000 0.270 193 L C 1.048 177.956 176.870 0.063 0.000 1.236 193 L CA -0.250 54.634 54.840 0.074 0.000 0.823 193 L CB 0.214 42.346 42.059 0.122 0.000 1.098 193 L HN -0.083 nan 8.230 nan 0.000 0.500 194 E N 1.014 121.247 120.200 0.055 0.000 2.415 194 E HA -0.075 4.275 4.350 -0.001 0.000 0.262 194 E C 0.708 177.358 176.600 0.083 0.000 1.038 194 E CA -0.138 56.288 56.400 0.045 0.000 0.921 194 E CB 0.611 30.331 29.700 0.034 0.000 0.950 194 E HN 0.399 nan 8.360 nan 0.000 0.438 195 I N 4.078 124.688 120.570 0.067 0.000 2.300 195 I HA -0.179 3.990 4.170 -0.001 0.000 0.252 195 I C 1.649 177.845 176.117 0.133 0.000 1.119 195 I CA 2.435 63.800 61.300 0.108 0.000 1.384 195 I CB -0.795 37.248 38.000 0.072 0.000 1.062 195 I HN 0.769 nan 8.210 nan 0.000 0.426 196 G N -1.029 107.824 108.800 0.088 0.000 2.433 196 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.216 196 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.216 196 G C 1.501 176.450 174.900 0.081 0.000 1.186 196 G CA 0.785 45.929 45.100 0.073 0.000 0.779 196 G HN 0.432 nan 8.290 nan 0.000 0.543 197 Q N -0.628 119.222 119.800 0.083 0.000 2.084 197 Q HA -0.037 4.303 4.340 -0.001 0.000 0.202 197 Q C 2.158 178.214 176.000 0.094 0.000 0.978 197 Q CA 1.543 57.391 55.803 0.076 0.000 0.844 197 Q CB -0.442 28.336 28.738 0.067 0.000 0.898 197 Q HN 0.757 nan 8.270 nan 0.000 0.426 198 H N 0.638 119.739 119.070 0.052 0.000 2.265 198 H HA -0.076 4.479 4.556 -0.001 0.000 0.295 198 H C 1.845 177.212 175.328 0.066 0.000 1.084 198 H CA 2.036 58.121 56.048 0.062 0.000 1.261 198 H CB 0.150 29.948 29.762 0.060 0.000 1.360 198 H HN 0.059 nan 8.280 nan 0.000 0.487 199 R N -0.819 119.733 120.500 0.087 0.000 2.117 199 R HA -0.128 4.211 4.340 -0.001 0.000 0.243 199 R C 2.405 178.701 176.300 -0.007 0.000 1.143 199 R CA 1.849 57.967 56.100 0.030 0.000 0.968 199 R CB -0.413 29.937 30.300 0.083 0.000 0.863 199 R HN 0.396 nan 8.270 nan 0.000 0.444 200 T N 1.056 115.622 114.554 0.021 0.000 2.708 200 T HA -0.108 4.242 4.350 -0.001 0.000 0.266 200 T C 1.680 176.405 174.700 0.041 0.000 1.037 200 T CA 1.081 63.200 62.100 0.031 0.000 1.146 200 T CB -0.009 68.884 68.868 0.042 0.000 0.865 200 T HN 0.108 nan 8.240 nan 0.000 0.435 201 K N 0.859 121.280 120.400 0.035 0.000 2.097 201 K HA 0.039 4.359 4.320 -0.001 0.000 0.206 201 K C 2.200 178.851 176.600 0.085 0.000 1.049 201 K CA 0.719 57.085 56.287 0.132 0.000 0.933 201 K CB -0.512 32.068 32.500 0.132 0.000 0.717 201 K HN 0.324 nan 8.250 nan 0.000 0.442 202 I N 1.207 121.718 120.570 -0.098 0.000 2.202 202 I HA -0.218 3.952 4.170 -0.001 0.000 0.242 202 I C 2.390 178.451 176.117 -0.093 0.000 1.091 202 I CA 1.232 62.442 61.300 -0.150 0.000 1.368 202 I CB -1.114 36.780 38.000 -0.177 0.000 1.058 202 I HN 0.168 nan 8.210 nan 0.000 0.410 203 E N 1.671 121.848 120.200 -0.038 0.000 2.070 203 E HA -0.245 4.104 4.350 -0.001 0.000 0.197 203 E C 2.040 178.647 176.600 0.011 0.000 1.004 203 E CA 1.766 58.159 56.400 -0.012 0.000 0.805 203 E CB -0.176 29.528 29.700 0.007 0.000 0.744 203 E HN 0.506 nan 8.360 nan 0.000 0.451 204 E N -0.329 119.911 120.200 0.067 0.000 2.077 204 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 204 E C 2.165 178.860 176.600 0.157 0.000 0.989 204 E CA 1.121 57.617 56.400 0.160 0.000 0.800 204 E CB -0.299 29.591 29.700 0.317 0.000 0.746 204 E HN 0.230 nan 8.360 nan 0.000 0.452 205 L N 1.600 122.743 121.223 -0.133 0.000 2.083 205 L HA -0.163 4.177 4.340 -0.001 0.000 0.209 205 L C 2.174 178.948 176.870 -0.160 0.000 1.083 205 L CA 1.620 56.175 54.840 -0.475 0.000 0.752 205 L CB -0.160 41.371 42.059 -0.880 0.000 0.899 205 L HN -0.052 nan 8.230 nan 0.000 0.433 206 R N -1.162 119.281 120.500 -0.096 0.000 2.120 206 R HA -0.130 4.209 4.340 -0.001 0.000 0.234 206 R C 2.139 178.441 176.300 0.004 0.000 1.123 206 R CA 1.114 57.184 56.100 -0.049 0.000 0.975 206 R CB -0.394 29.879 30.300 -0.046 0.000 0.866 206 R HN 0.473 nan 8.270 nan 0.000 0.446 207 Q N 0.030 119.841 119.800 0.017 0.000 2.084 207 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 207 Q C 2.064 178.076 176.000 0.020 0.000 0.978 207 Q CA 1.411 57.214 55.803 0.000 0.000 0.844 207 Q CB -0.428 28.287 28.738 -0.038 0.000 0.898 207 Q HN 0.577 nan 8.270 nan 0.000 0.426 208 H N 0.447 119.540 119.070 0.038 0.000 2.290 208 H HA -0.081 4.474 4.556 -0.001 0.000 0.298 208 H C 2.342 177.772 175.328 0.171 0.000 1.087 208 H CA 1.302 57.413 56.048 0.104 0.000 1.291 208 H CB -0.112 29.671 29.762 0.034 0.000 1.369 208 H HN 0.173 nan 8.280 nan 0.000 0.492 209 L N 0.198 121.533 121.223 0.186 0.000 2.046 209 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 209 L C 2.710 179.690 176.870 0.185 0.000 1.077 209 L CA 0.481 55.403 54.840 0.136 0.000 0.747 209 L CB -0.383 41.686 42.059 0.016 0.000 0.896 209 L HN 0.143 nan 8.230 nan 0.000 0.432 210 L N 0.027 121.322 121.223 0.119 0.000 2.042 210 L HA -0.209 4.130 4.340 -0.001 0.000 0.210 210 L C 2.566 179.499 176.870 0.105 0.000 1.076 210 L CA 1.717 56.608 54.840 0.085 0.000 0.749 210 L CB -0.531 41.552 42.059 0.039 0.000 0.893 210 L HN 0.057 nan 8.230 nan 0.000 0.432 211 R N -1.451 119.128 120.500 0.133 0.000 2.241 211 R HA -0.146 4.194 4.340 -0.001 0.000 0.224 211 R C 1.051 177.326 176.300 -0.041 0.000 1.101 211 R CA 1.029 57.154 56.100 0.042 0.000 0.995 211 R CB -0.738 29.581 30.300 0.031 0.000 0.870 211 R HN 0.514 nan 8.270 nan 0.000 0.463 212 W N -0.775 120.548 121.300 0.038 0.000 3.194 212 W HA 0.353 5.013 4.660 -0.001 0.000 0.408 212 W C 1.100 177.653 176.519 0.056 0.000 1.072 212 W CA 0.334 57.714 57.345 0.058 0.000 1.953 212 W CB 0.135 29.644 29.460 0.082 0.000 1.091 212 W HN 0.239 nan 8.180 nan 0.000 0.699 213 G N 0.908 109.807 108.800 0.164 0.000 2.212 213 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.266 213 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.266 213 G C 0.226 175.184 174.900 0.096 0.000 0.978 213 G CA 0.424 45.590 45.100 0.110 0.000 0.632 213 G HN 0.372 nan 8.290 nan 0.000 0.537 214 L N -0.220 121.067 121.223 0.107 0.000 2.270 214 L HA 0.727 5.066 4.340 -0.001 0.000 0.286 214 L C 0.066 176.945 176.870 0.015 0.000 1.059 214 L CA -0.725 54.134 54.840 0.032 0.000 0.839 214 L CB 0.886 42.929 42.059 -0.027 0.000 1.221 214 L HN -0.061 nan 8.230 nan 0.000 0.431 215 T N 2.045 116.603 114.554 0.005 0.000 2.750 215 T HA 0.112 4.461 4.350 -0.001 0.000 0.286 215 T C 0.605 175.287 174.700 -0.029 0.000 0.911 215 T CA 0.191 62.288 62.100 -0.004 0.000 1.130 215 T CB -0.114 68.755 68.868 0.002 0.000 0.873 215 T HN 0.669 nan 8.240 nan 0.000 0.536 216 T N 7.217 121.748 114.554 -0.038 0.000 3.281 216 T HA 0.315 4.664 4.350 -0.001 0.000 0.359 216 T C -2.006 172.660 174.700 -0.057 0.000 1.459 216 T CA -1.233 60.829 62.100 -0.063 0.000 1.114 216 T CB 0.338 69.158 68.868 -0.081 0.000 1.162 216 T HN 0.351 nan 8.240 nan 0.000 0.665 231 G N -0.330 108.459 108.800 -0.018 0.000 2.794 231 G HA2 0.527 4.486 3.960 -0.001 0.000 0.249 231 G HA3 0.527 4.486 3.960 -0.001 0.000 0.249 231 G C 0.520 175.413 174.900 -0.012 0.000 1.236 231 G CA 0.489 45.572 45.100 -0.028 0.000 0.880 231 G HN 2.274 nan 8.290 nan 0.000 0.586 232 Y N -0.529 119.759 120.300 -0.019 0.000 2.881 232 Y HA 0.285 4.834 4.550 -0.001 0.000 0.335 232 Y C 0.753 176.653 175.900 -0.001 0.000 1.263 232 Y CA 0.589 58.689 58.100 -0.000 0.000 1.572 232 Y CB -0.524 37.938 38.460 0.003 0.000 1.237 232 Y HN 0.637 nan 8.280 nan 0.000 0.568 233 E N 3.496 123.692 120.200 -0.008 0.000 2.113 233 E HA 0.523 4.873 4.350 -0.001 0.000 0.273 233 E C -1.474 174.985 176.600 -0.235 0.000 0.924 233 E CA -0.552 55.790 56.400 -0.097 0.000 0.764 233 E CB 1.522 31.188 29.700 -0.057 0.000 1.104 233 E HN 0.643 nan 8.360 nan 0.000 0.406 234 L N 3.024 124.070 121.223 -0.294 0.000 2.334 234 L HA 0.287 4.626 4.340 -0.001 0.000 0.275 234 L C -0.065 176.402 176.870 -0.671 0.000 1.036 234 L CA -0.491 54.203 54.840 -0.243 0.000 0.807 234 L CB 0.853 42.938 42.059 0.043 0.000 1.231 234 L HN 0.520 nan 8.230 nan 0.000 0.438 235 H N 3.160 122.130 119.070 -0.168 0.000 2.423 235 H HA 0.233 4.789 4.556 -0.001 0.000 0.237 235 H C -1.875 172.950 175.328 -0.839 0.000 1.391 235 H CA -1.426 54.415 56.048 -0.344 0.000 1.453 235 H CB 0.919 30.588 29.762 -0.153 0.000 1.484 235 H HN 0.415 nan 8.280 nan 0.000 0.505 236 P HA -0.135 nan 4.420 nan 0.000 0.223 236 P C 0.642 177.502 177.300 -0.733 0.000 1.144 236 P CA 0.911 62.973 63.100 -1.731 0.000 0.783 236 P CB 0.667 31.662 31.700 -1.174 0.000 0.771 237 D N 0.596 120.755 120.400 -0.403 0.000 2.097 237 D HA -0.089 4.551 4.640 -0.001 0.000 0.197 237 D C 1.638 177.892 176.300 -0.077 0.000 0.984 237 D CA 1.146 55.042 54.000 -0.172 0.000 0.826 237 D CB -0.361 40.368 40.800 -0.118 0.000 0.973 237 D HN 0.177 nan 8.370 nan 0.000 0.460 238 K N -0.159 120.204 120.400 -0.062 0.000 2.569 238 K HA -0.019 4.300 4.320 -0.001 0.000 0.193 238 K C -0.395 176.363 176.600 0.264 0.000 1.026 238 K CA 0.024 56.357 56.287 0.077 0.000 1.093 238 K CB 0.074 32.623 32.500 0.083 0.000 0.849 238 K HN 0.195 nan 8.250 nan 0.000 0.509 239 W N 2.440 123.770 121.300 0.050 0.000 2.332 239 W HA 0.142 4.801 4.660 -0.001 0.000 0.306 239 W C 0.325 176.867 176.519 0.039 0.000 1.149 239 W CA -0.897 56.479 57.345 0.051 0.000 1.271 239 W CB 0.435 29.918 29.460 0.038 0.000 1.243 239 W HN -0.088 nan 8.180 nan 0.000 0.459 240 T N -0.498 114.206 114.554 0.250 0.000 2.881 240 T HA 0.440 4.789 4.350 -0.001 0.000 0.291 240 T C -0.628 174.144 174.700 0.119 0.000 0.990 240 T CA -0.852 61.342 62.100 0.156 0.000 0.976 240 T CB 1.335 70.274 68.868 0.118 0.000 0.970 240 T HN 0.003 nan 8.240 nan 0.000 0.438 241 V N 4.722 124.700 119.914 0.106 0.000 2.509 241 V HA 0.046 4.166 4.120 -0.001 0.000 0.297 241 V C 1.082 177.225 176.094 0.081 0.000 1.014 241 V CA 0.022 62.372 62.300 0.084 0.000 1.127 241 V CB -0.423 31.463 31.823 0.105 0.000 0.925 241 V HN 1.026 nan 8.190 nan 0.000 0.480 242 Q N 8.567 128.402 119.800 0.057 0.000 2.296 242 Q HA 0.388 4.728 4.340 -0.001 0.000 0.262 242 Q C -2.202 173.863 176.000 0.108 0.000 0.981 242 Q CA -1.406 54.438 55.803 0.069 0.000 0.905 242 Q CB 0.663 29.429 28.738 0.047 0.000 1.186 242 Q HN 0.534 nan 8.270 nan 0.000 0.399 243 P HA -0.031 nan 4.420 nan 0.000 0.274 243 P C 0.166 177.564 177.300 0.164 0.000 1.264 243 P CA -0.155 63.013 63.100 0.113 0.000 0.795 243 P CB 0.796 32.530 31.700 0.057 0.000 1.064 244 I N -1.329 119.339 120.570 0.162 0.000 2.617 244 I HA -0.100 4.070 4.170 -0.001 0.000 0.256 244 I C 0.048 176.258 176.117 0.155 0.000 1.167 244 I CA 0.705 62.139 61.300 0.222 0.000 1.469 244 I CB 0.042 38.183 38.000 0.236 0.000 1.098 244 I HN 0.037 nan 8.210 nan 0.000 0.436 245 V N 1.724 121.697 119.914 0.097 0.000 3.346 245 V HA -0.204 3.916 4.120 -0.001 0.000 0.477 245 V C -0.531 175.614 176.094 0.084 0.000 0.682 245 V CA -0.149 62.200 62.300 0.081 0.000 2.016 245 V CB -1.267 30.607 31.823 0.085 0.000 2.468 245 V HN 0.118 nan 8.190 nan 0.000 0.500 246 L N 6.498 127.766 121.223 0.075 0.000 2.322 246 L HA 0.638 4.978 4.340 -0.001 0.000 0.281 246 L C -1.669 175.278 176.870 0.127 0.000 1.014 246 L CA -1.814 53.089 54.840 0.106 0.000 0.815 246 L CB 1.824 43.935 42.059 0.087 0.000 1.247 246 L HN 0.443 nan 8.230 nan 0.000 0.421 247 P HA 0.039 nan 4.420 nan 0.000 0.271 247 P C -0.823 176.556 177.300 0.132 0.000 1.233 247 P CA -0.161 62.992 63.100 0.088 0.000 0.795 247 P CB 0.487 32.181 31.700 -0.010 0.000 0.936 248 E N 0.613 120.816 120.200 0.004 0.000 2.621 248 E HA 0.207 4.557 4.350 -0.001 0.000 0.263 248 E C -1.017 175.532 176.600 -0.086 0.000 1.033 248 E CA -0.413 56.014 56.400 0.046 0.000 0.778 248 E CB 0.463 30.190 29.700 0.046 0.000 1.426 248 E HN 0.293 nan 8.360 nan 0.000 0.394 249 K N 1.278 121.559 120.400 -0.198 0.000 2.340 249 K HA 0.342 4.662 4.320 -0.001 0.000 0.244 249 K C 0.013 176.541 176.600 -0.119 0.000 0.973 249 K CA -0.874 55.197 56.287 -0.360 0.000 0.828 249 K CB 1.566 33.531 32.500 -0.890 0.000 1.226 249 K HN 0.134 nan 8.250 nan 0.000 0.437 250 D N 0.431 120.774 120.400 -0.094 0.000 2.107 250 D HA -0.094 4.546 4.640 -0.001 0.000 0.204 250 D C 0.667 177.024 176.300 0.095 0.000 0.978 250 D CA 1.180 55.196 54.000 0.027 0.000 0.852 250 D CB -0.115 40.686 40.800 0.001 0.000 1.008 250 D HN 0.506 nan 8.370 nan 0.000 0.458 251 S N -0.796 114.909 115.700 0.008 0.000 2.549 251 S HA 0.509 4.979 4.470 -0.001 0.000 0.297 251 S C -1.091 173.521 174.600 0.018 0.000 1.115 251 S CA -0.875 57.380 58.200 0.092 0.000 1.059 251 S CB 1.357 64.584 63.200 0.045 0.000 1.046 251 S HN 0.150 nan 8.310 nan 0.000 0.506 252 W N 1.021 122.321 121.300 0.000 0.000 2.761 252 W HA 0.585 5.244 4.660 -0.001 0.000 0.340 252 W C 0.466 176.986 176.519 0.002 0.000 1.072 252 W CA -0.530 56.815 57.345 0.001 0.000 1.215 252 W CB 1.819 31.280 29.460 0.001 0.000 1.420 252 W HN 0.928 nan 8.180 nan 0.000 0.519 253 T N -2.395 112.294 114.554 0.225 0.000 2.923 253 T HA 0.384 4.734 4.350 -0.001 0.000 0.281 253 T C 0.754 175.544 174.700 0.151 0.000 0.995 253 T CA -0.708 61.475 62.100 0.138 0.000 0.985 253 T CB 0.965 69.877 68.868 0.074 0.000 1.114 253 T HN 0.192 nan 8.240 nan 0.000 0.548 254 V N 1.364 121.335 119.914 0.096 0.000 2.295 254 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 254 V C 2.860 179.008 176.094 0.090 0.000 1.049 254 V CA 2.389 64.737 62.300 0.079 0.000 1.024 254 V CB -1.444 30.409 31.823 0.051 0.000 0.648 254 V HN 0.990 nan 8.190 nan 0.000 0.447 255 N N 0.741 119.489 118.700 0.080 0.000 2.060 255 N HA -0.233 4.507 4.740 -0.001 0.000 0.195 255 N C 1.487 177.064 175.510 0.112 0.000 1.028 255 N CA 2.185 55.281 53.050 0.076 0.000 0.861 255 N CB -0.314 38.203 38.487 0.050 0.000 1.029 255 N HN 0.505 nan 8.380 nan 0.000 0.428 256 D N -0.191 120.300 120.400 0.152 0.000 2.117 256 D HA -0.096 4.544 4.640 -0.001 0.000 0.197 256 D C 2.031 178.544 176.300 0.354 0.000 0.987 256 D CA 0.980 55.126 54.000 0.242 0.000 0.829 256 D CB -0.238 40.712 40.800 0.251 0.000 0.961 256 D HN 0.472 nan 8.370 nan 0.000 0.460 257 I N 0.856 121.598 120.570 0.287 0.000 2.252 257 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 257 I C 2.498 178.673 176.117 0.096 0.000 1.102 257 I CA 0.895 62.279 61.300 0.140 0.000 1.385 257 I CB -0.331 37.692 38.000 0.038 0.000 1.064 257 I HN -0.074 nan 8.210 nan 0.000 0.414 258 Q N 1.093 120.953 119.800 0.099 0.000 2.061 258 Q HA -0.237 4.103 4.340 -0.001 0.000 0.204 258 Q C 2.237 178.308 176.000 0.118 0.000 0.984 258 Q CA 1.561 57.416 55.803 0.085 0.000 0.846 258 Q CB -0.180 28.604 28.738 0.077 0.000 0.902 258 Q HN 0.457 nan 8.270 nan 0.000 0.421 259 K N 0.242 120.730 120.400 0.148 0.000 2.097 259 K HA -0.163 4.156 4.320 -0.001 0.000 0.206 259 K C 2.012 178.737 176.600 0.208 0.000 1.049 259 K CA 0.840 57.242 56.287 0.190 0.000 0.933 259 K CB -0.100 32.496 32.500 0.160 0.000 0.717 259 K HN 0.068 nan 8.250 nan 0.000 0.442 260 L N 0.527 121.857 121.223 0.178 0.000 2.072 260 L HA -0.109 4.230 4.340 -0.001 0.000 0.205 260 L C 1.938 178.826 176.870 0.030 0.000 1.079 260 L CA 1.355 56.275 54.840 0.132 0.000 0.752 260 L CB -0.263 41.883 42.059 0.144 0.000 0.906 260 L HN -0.124 nan 8.230 nan 0.000 0.436 261 V N 0.239 120.161 119.914 0.013 0.000 2.287 261 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 261 V C 2.622 178.676 176.094 -0.066 0.000 1.053 261 V CA 1.888 64.169 62.300 -0.032 0.000 1.027 261 V CB -1.707 30.106 31.823 -0.017 0.000 0.646 261 V HN 0.625 nan 8.190 nan 0.000 0.447 262 G N -0.554 108.233 108.800 -0.021 0.000 2.459 262 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.217 262 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.217 262 G C 1.645 176.190 174.900 -0.592 0.000 1.183 262 G CA 1.266 46.312 45.100 -0.091 0.000 0.776 262 G HN 0.487 nan 8.290 nan 0.000 0.552 263 K N -0.210 119.856 120.400 -0.557 0.000 2.032 263 K HA -0.006 4.314 4.320 -0.001 0.000 0.209 263 K C 2.584 178.979 176.600 -0.342 0.000 1.048 263 K CA 1.173 57.068 56.287 -0.654 0.000 0.927 263 K CB -0.274 32.212 32.500 -0.024 0.000 0.712 263 K HN 0.346 nan 8.250 nan 0.000 0.441 264 L N 0.677 121.782 121.223 -0.196 0.000 2.072 264 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 264 L C 2.332 179.088 176.870 -0.190 0.000 1.079 264 L CA 1.298 56.048 54.840 -0.149 0.000 0.752 264 L CB -0.587 41.405 42.059 -0.112 0.000 0.906 264 L HN 0.339 nan 8.230 nan 0.000 0.436 265 N N -0.265 118.315 118.700 -0.199 0.000 2.094 265 N HA -0.302 4.437 4.740 -0.001 0.000 0.191 265 N C 1.684 177.051 175.510 -0.239 0.000 1.023 265 N CA 1.826 54.766 53.050 -0.183 0.000 0.857 265 N CB -0.333 38.072 38.487 -0.137 0.000 1.013 265 N HN 0.407 nan 8.380 nan 0.000 0.426 266 W N 0.975 121.943 121.300 -0.553 0.000 2.380 266 W HA 0.082 4.741 4.660 -0.001 0.000 0.317 266 W C 2.379 178.583 176.519 -0.525 0.000 1.196 266 W CA 2.288 59.246 57.345 -0.646 0.000 1.307 266 W CB -0.970 27.811 29.460 -1.133 0.000 1.157 266 W HN 0.136 nan 8.180 nan 0.000 0.483 267 A N 0.523 123.003 122.820 -0.568 0.000 2.032 267 A HA -0.297 4.022 4.320 -0.001 0.000 0.221 267 A C 2.094 179.451 177.584 -0.378 0.000 1.165 267 A CA 2.863 54.558 52.037 -0.570 0.000 0.645 267 A CB -1.647 17.254 19.000 -0.164 0.000 0.807 267 A HN 0.512 nan 8.150 nan 0.000 0.453 268 S N -0.599 114.903 115.700 -0.330 0.000 2.442 268 S HA -0.237 4.233 4.470 -0.001 0.000 0.236 268 S C 1.730 176.142 174.600 -0.313 0.000 1.007 268 S CA 1.427 59.484 58.200 -0.238 0.000 0.965 268 S CB -0.492 62.591 63.200 -0.195 0.000 0.773 268 S HN 0.719 nan 8.310 nan 0.000 0.504 269 Q N 0.118 119.596 119.800 -0.536 0.000 2.378 269 Q HA 0.216 4.555 4.340 -0.001 0.000 0.205 269 Q C 1.780 177.457 176.000 -0.538 0.000 0.954 269 Q CA 1.148 56.584 55.803 -0.612 0.000 0.901 269 Q CB -0.172 27.931 28.738 -1.057 0.000 0.981 269 Q HN 0.685 nan 8.270 nan 0.000 0.483 270 I N -1.512 118.731 120.570 -0.544 0.000 2.962 270 I HA -0.036 4.134 4.170 -0.001 0.000 0.246 270 I C -0.098 175.746 176.117 -0.455 0.000 1.091 270 I CA 0.145 61.140 61.300 -0.508 0.000 1.469 270 I CB 0.283 37.889 38.000 -0.657 0.000 1.324 270 I HN -0.016 nan 8.210 nan 0.000 0.461 271 Y N 1.826 121.999 120.300 -0.211 0.000 2.404 271 Y HA 0.288 4.837 4.550 -0.001 0.000 0.344 271 Y C -1.815 174.012 175.900 -0.122 0.000 0.970 271 Y CA -2.760 55.266 58.100 -0.124 0.000 1.180 271 Y CB -0.189 38.212 38.460 -0.099 0.000 1.138 271 Y HN -0.043 nan 8.280 nan 0.000 0.510 272 P HA -0.128 nan 4.420 nan 0.000 0.216 272 P C 1.704 179.007 177.300 0.006 0.000 1.153 272 P CA 1.724 64.821 63.100 -0.005 0.000 0.848 272 P CB 0.260 31.958 31.700 -0.003 0.000 0.787 273 G N -0.398 108.425 108.800 0.038 0.000 2.564 273 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 273 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 273 G C 0.611 175.502 174.900 -0.016 0.000 1.124 273 G CA -0.003 45.106 45.100 0.015 0.000 0.764 273 G HN 0.262 nan 8.290 nan 0.000 0.550 274 I N 0.998 121.552 120.570 -0.026 0.000 2.648 274 I HA 0.148 4.318 4.170 -0.001 0.000 0.284 274 I C -0.011 176.068 176.117 -0.063 0.000 1.153 274 I CA 0.213 61.478 61.300 -0.059 0.000 1.426 274 I CB 0.819 38.771 38.000 -0.080 0.000 1.381 274 I HN -0.079 nan 8.210 nan 0.000 0.571 275 K N 5.527 125.886 120.400 -0.068 0.000 2.318 275 K HA 0.496 4.816 4.320 -0.001 0.000 0.249 275 K C -0.109 176.446 176.600 -0.075 0.000 0.942 275 K CA -0.644 55.604 56.287 -0.065 0.000 0.808 275 K CB 2.834 35.301 32.500 -0.056 0.000 1.189 275 K HN 0.371 nan 8.250 nan 0.000 0.428 276 V N 2.016 121.887 119.914 -0.073 0.000 3.432 276 V HA 0.042 4.161 4.120 -0.001 0.000 0.290 276 V C 1.340 177.393 176.094 -0.069 0.000 1.591 276 V CA 0.349 62.602 62.300 -0.077 0.000 1.069 276 V CB 0.152 31.926 31.823 -0.081 0.000 0.892 276 V HN 0.724 nan 8.190 nan 0.000 0.436 277 R N -0.069 120.395 120.500 -0.060 0.000 2.091 277 R HA -0.148 4.191 4.340 -0.001 0.000 0.238 277 R C 2.144 178.411 176.300 -0.055 0.000 1.136 277 R CA 2.000 58.069 56.100 -0.052 0.000 0.959 277 R CB -0.148 30.126 30.300 -0.044 0.000 0.856 277 R HN 0.458 nan 8.270 nan 0.000 0.437 278 Q N 0.580 120.342 119.800 -0.062 0.000 2.079 278 Q HA -0.095 4.245 4.340 -0.001 0.000 0.200 278 Q C 2.316 178.266 176.000 -0.083 0.000 0.974 278 Q CA 1.284 57.047 55.803 -0.068 0.000 0.840 278 Q CB -0.212 28.484 28.738 -0.071 0.000 0.898 278 Q HN 0.395 nan 8.270 nan 0.000 0.430 279 L N -0.395 120.769 121.223 -0.099 0.000 2.027 279 L HA -0.202 4.137 4.340 -0.001 0.000 0.206 279 L C 2.683 179.499 176.870 -0.090 0.000 1.074 279 L CA 0.886 55.653 54.840 -0.121 0.000 0.745 279 L CB -0.517 41.458 42.059 -0.140 0.000 0.898 279 L HN 0.239 nan 8.230 nan 0.000 0.433 280 C N 0.001 119.260 119.300 -0.069 0.000 2.411 280 C HA -0.184 4.276 4.460 -0.001 0.000 0.279 280 C C 2.769 177.733 174.990 -0.042 0.000 1.288 280 C CA 0.811 59.799 59.018 -0.049 0.000 1.764 280 C CB -0.754 26.960 27.740 -0.042 0.000 1.974 280 C HN 0.401 nan 8.230 nan 0.000 0.498 281 K N 0.230 120.603 120.400 -0.046 0.000 2.152 281 K HA -0.146 4.173 4.320 -0.001 0.000 0.206 281 K C 1.676 178.254 176.600 -0.038 0.000 1.048 281 K CA 1.169 57.433 56.287 -0.039 0.000 0.933 281 K CB -0.231 32.245 32.500 -0.041 0.000 0.721 281 K HN 0.535 nan 8.250 nan 0.000 0.447 282 L N 0.561 121.755 121.223 -0.049 0.000 2.141 282 L HA -0.100 4.240 4.340 -0.001 0.000 0.209 282 L C 1.007 177.861 176.870 -0.027 0.000 1.094 282 L CA 0.637 55.450 54.840 -0.045 0.000 0.763 282 L CB -0.119 41.897 42.059 -0.071 0.000 0.908 282 L HN 0.103 nan 8.230 nan 0.000 0.437 283 L N 1.436 122.644 121.223 -0.024 0.000 2.423 283 L HA 0.215 4.554 4.340 -0.001 0.000 0.249 283 L C -0.160 176.706 176.870 -0.007 0.000 1.276 283 L CA 0.155 54.989 54.840 -0.009 0.000 1.199 283 L CB -0.342 41.714 42.059 -0.005 0.000 1.407 283 L HN 0.149 nan 8.230 nan 0.000 0.410 284 R N 1.534 122.031 120.500 -0.005 0.000 2.514 284 R HA 0.700 5.039 4.340 -0.001 0.000 0.296 284 R C -0.196 176.104 176.300 -0.000 0.000 1.012 284 R CA -0.590 55.508 56.100 -0.004 0.000 0.897 284 R CB 2.255 32.550 30.300 -0.008 0.000 1.184 284 R HN 0.536 nan 8.270 nan 0.000 0.440 285 G N 0.756 109.557 108.800 0.002 0.000 2.555 285 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.686 285 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.686 285 G C -0.681 174.223 174.900 0.007 0.000 1.275 285 G CA -1.045 44.057 45.100 0.004 0.000 0.871 285 G HN 0.377 nan 8.290 nan 0.000 0.603 286 T N 2.185 116.743 114.554 0.007 0.000 3.579 286 T HA 0.419 4.769 4.350 -0.001 0.000 0.328 286 T C 0.653 175.360 174.700 0.011 0.000 1.481 286 T CA -0.003 62.102 62.100 0.009 0.000 1.144 286 T CB 0.012 68.885 68.868 0.008 0.000 1.205 286 T HN 0.574 nan 8.240 nan 0.000 0.812 287 K N 1.464 121.872 120.400 0.013 0.000 2.098 287 K HA 0.680 5.000 4.320 -0.001 0.000 0.257 287 K C 0.458 177.068 176.600 0.017 0.000 0.999 287 K CA -0.768 55.528 56.287 0.014 0.000 0.924 287 K CB 0.991 33.501 32.500 0.016 0.000 1.028 287 K HN 0.465 nan 8.250 nan 0.000 0.466 288 A N 2.222 125.052 122.820 0.016 0.000 2.462 288 A HA 0.082 4.401 4.320 -0.001 0.000 0.243 288 A C 1.248 178.845 177.584 0.022 0.000 1.076 288 A CA -0.198 51.849 52.037 0.017 0.000 0.773 288 A CB -0.093 18.915 19.000 0.014 0.000 1.010 288 A HN 0.832 nan 8.150 nan 0.000 0.493 289 L N 1.768 123.004 121.223 0.022 0.000 2.127 289 L HA -0.198 4.141 4.340 -0.001 0.000 0.211 289 L C 2.719 179.608 176.870 0.031 0.000 1.089 289 L CA 2.053 56.910 54.840 0.028 0.000 0.757 289 L CB -0.625 41.448 42.059 0.024 0.000 0.899 289 L HN 0.997 nan 8.230 nan 0.000 0.434 290 T N -3.837 110.731 114.554 0.023 0.000 3.113 290 T HA -0.074 4.276 4.350 -0.001 0.000 0.256 290 T C 0.773 175.489 174.700 0.027 0.000 1.131 290 T CA -0.214 61.898 62.100 0.021 0.000 1.074 290 T CB -0.182 68.693 68.868 0.012 0.000 0.944 290 T HN 0.280 nan 8.240 nan 0.000 0.516 291 E N 1.755 121.973 120.200 0.030 0.000 2.417 291 E HA 0.210 4.559 4.350 -0.001 0.000 0.261 291 E C -0.574 176.054 176.600 0.046 0.000 1.000 291 E CA -0.425 55.994 56.400 0.032 0.000 0.919 291 E CB 0.651 30.368 29.700 0.028 0.000 0.955 291 E HN 0.174 nan 8.360 nan 0.000 0.455 292 V N 6.323 126.264 119.914 0.046 0.000 2.715 292 V HA 0.164 4.283 4.120 -0.001 0.000 0.299 292 V C 0.532 176.666 176.094 0.067 0.000 1.054 292 V CA 0.175 62.514 62.300 0.066 0.000 1.077 292 V CB 0.713 32.569 31.823 0.054 0.000 0.972 292 V HN 0.596 nan 8.190 nan 0.000 0.484 293 I N 6.032 126.659 120.570 0.094 0.000 2.468 293 I HA 0.357 4.526 4.170 -0.001 0.000 0.285 293 I C -2.399 173.760 176.117 0.070 0.000 1.039 293 I CA -1.834 59.506 61.300 0.066 0.000 1.074 293 I CB 2.784 40.812 38.000 0.046 0.000 1.228 293 I HN 0.491 nan 8.210 nan 0.000 0.436 294 P HA 0.210 nan 4.420 nan 0.000 0.276 294 P C -0.889 176.403 177.300 -0.014 0.000 1.235 294 P CA -0.434 62.686 63.100 0.034 0.000 0.772 294 P CB 0.931 32.646 31.700 0.025 0.000 0.871 295 L N 3.603 124.798 121.223 -0.046 0.000 2.331 295 L HA 0.221 4.560 4.340 -0.001 0.000 0.278 295 L C 1.504 178.328 176.870 -0.076 0.000 1.106 295 L CA 0.378 55.148 54.840 -0.117 0.000 0.824 295 L CB 0.036 41.957 42.059 -0.231 0.000 1.142 295 L HN 0.450 nan 8.230 nan 0.000 0.443 296 T N -1.237 113.271 114.554 -0.077 0.000 2.926 296 T HA 0.061 4.411 4.350 -0.001 0.000 0.307 296 T C 1.065 175.730 174.700 -0.059 0.000 1.059 296 T CA -0.509 61.558 62.100 -0.056 0.000 1.122 296 T CB 0.721 69.557 68.868 -0.053 0.000 0.972 296 T HN 0.644 nan 8.240 nan 0.000 0.545 297 E N 1.267 121.442 120.200 -0.041 0.000 2.171 297 E HA -0.195 4.154 4.350 -0.001 0.000 0.197 297 E C 1.890 178.464 176.600 -0.044 0.000 0.997 297 E CA 1.913 58.292 56.400 -0.036 0.000 0.810 297 E CB -0.196 29.489 29.700 -0.025 0.000 0.738 297 E HN 0.898 nan 8.360 nan 0.000 0.467 298 E N -0.379 119.793 120.200 -0.047 0.000 2.047 298 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 298 E C 2.133 178.693 176.600 -0.066 0.000 0.987 298 E CA 1.020 57.390 56.400 -0.050 0.000 0.799 298 E CB -0.271 29.401 29.700 -0.046 0.000 0.752 298 E HN 0.357 nan 8.360 nan 0.000 0.449 299 A N 1.826 124.594 122.820 -0.085 0.000 1.933 299 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 299 A C 2.018 179.527 177.584 -0.125 0.000 1.175 299 A CA 1.281 53.248 52.037 -0.118 0.000 0.628 299 A CB -0.356 18.551 19.000 -0.154 0.000 0.814 299 A HN 0.100 nan 8.150 nan 0.000 0.444 300 E N -0.399 119.737 120.200 -0.107 0.000 2.070 300 E HA -0.233 4.117 4.350 -0.001 0.000 0.197 300 E C 1.994 178.556 176.600 -0.063 0.000 1.004 300 E CA 1.494 57.843 56.400 -0.085 0.000 0.805 300 E CB -0.590 29.078 29.700 -0.054 0.000 0.744 300 E HN 0.568 nan 8.360 nan 0.000 0.451 301 L N 1.616 122.806 121.223 -0.055 0.000 1.976 301 L HA -0.171 4.169 4.340 -0.001 0.000 0.209 301 L C 2.448 179.286 176.870 -0.052 0.000 1.071 301 L CA 2.223 57.036 54.840 -0.045 0.000 0.746 301 L CB -0.729 41.307 42.059 -0.038 0.000 0.890 301 L HN 0.106 nan 8.230 nan 0.000 0.432 302 E N -0.363 119.800 120.200 -0.062 0.000 2.086 302 E HA -0.314 4.036 4.350 -0.001 0.000 0.205 302 E C 2.311 178.866 176.600 -0.074 0.000 1.027 302 E CA 2.306 58.665 56.400 -0.068 0.000 0.830 302 E CB -0.458 29.196 29.700 -0.078 0.000 0.751 302 E HN 0.608 nan 8.360 nan 0.000 0.456 303 L N 0.246 121.415 121.223 -0.089 0.000 1.971 303 L HA -0.251 4.089 4.340 -0.001 0.000 0.215 303 L C 2.616 179.454 176.870 -0.053 0.000 1.072 303 L CA 1.828 56.615 54.840 -0.087 0.000 0.758 303 L CB -0.511 41.476 42.059 -0.120 0.000 0.889 303 L HN 0.305 nan 8.230 nan 0.000 0.433 304 A N -0.710 122.085 122.820 -0.041 0.000 1.883 304 A HA -0.321 3.999 4.320 -0.001 0.000 0.217 304 A C 2.160 179.724 177.584 -0.032 0.000 1.186 304 A CA 2.087 54.109 52.037 -0.024 0.000 0.624 304 A CB -0.771 18.218 19.000 -0.018 0.000 0.822 304 A HN 0.626 nan 8.150 nan 0.000 0.444 305 E N -0.282 119.894 120.200 -0.040 0.000 2.118 305 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 305 E C 1.730 178.297 176.600 -0.055 0.000 0.992 305 E CA 1.340 57.715 56.400 -0.042 0.000 0.804 305 E CB -0.110 29.565 29.700 -0.042 0.000 0.741 305 E HN 0.610 nan 8.360 nan 0.000 0.458 306 N N 0.343 119.003 118.700 -0.066 0.000 2.171 306 N HA -0.125 4.615 4.740 -0.001 0.000 0.184 306 N C 1.816 177.264 175.510 -0.105 0.000 1.021 306 N CA 0.673 53.668 53.050 -0.092 0.000 0.854 306 N CB -0.282 38.148 38.487 -0.094 0.000 0.994 306 N HN 0.139 nan 8.380 nan 0.000 0.426 307 R N 1.117 121.576 120.500 -0.069 0.000 2.105 307 R HA -0.074 4.265 4.340 -0.001 0.000 0.239 307 R C 1.687 177.950 176.300 -0.062 0.000 1.135 307 R CA 1.045 57.112 56.100 -0.056 0.000 0.967 307 R CB 0.138 30.427 30.300 -0.018 0.000 0.861 307 R HN 0.180 nan 8.270 nan 0.000 0.442 308 E N 0.497 120.665 120.200 -0.052 0.000 2.051 308 E HA -0.186 4.164 4.350 -0.001 0.000 0.192 308 E C 2.020 178.585 176.600 -0.059 0.000 0.991 308 E CA 1.194 57.569 56.400 -0.042 0.000 0.799 308 E CB -0.154 29.528 29.700 -0.031 0.000 0.748 308 E HN 0.411 nan 8.360 nan 0.000 0.449 309 I N 0.955 121.474 120.570 -0.086 0.000 2.163 309 I HA -0.294 3.876 4.170 -0.001 0.000 0.243 309 I C 2.440 178.433 176.117 -0.207 0.000 1.085 309 I CA 1.004 62.239 61.300 -0.109 0.000 1.347 309 I CB -0.379 37.553 38.000 -0.114 0.000 1.044 309 I HN 0.052 nan 8.210 nan 0.000 0.408 310 L N 0.380 121.422 121.223 -0.303 0.000 2.275 310 L HA -0.173 4.166 4.340 -0.001 0.000 0.215 310 L C 2.481 179.264 176.870 -0.145 0.000 1.119 310 L CA 1.142 55.747 54.840 -0.391 0.000 0.790 310 L CB -0.552 41.317 42.059 -0.317 0.000 0.919 310 L HN 0.220 nan 8.230 nan 0.000 0.443 311 K N -0.223 120.135 120.400 -0.069 0.000 2.025 311 K HA -0.065 4.254 4.320 -0.001 0.000 0.207 311 K C 0.732 177.348 176.600 0.027 0.000 1.049 311 K CA 0.661 56.944 56.287 -0.007 0.000 0.933 311 K CB 0.070 32.568 32.500 -0.003 0.000 0.714 311 K HN 0.178 nan 8.250 nan 0.000 0.438 312 E N 0.465 120.682 120.200 0.028 0.000 2.392 312 E HA 0.055 4.405 4.350 -0.001 0.000 0.256 312 E C -1.766 174.913 176.600 0.132 0.000 1.145 312 E CA -1.641 54.798 56.400 0.064 0.000 0.929 312 E CB -0.130 29.599 29.700 0.047 0.000 0.998 312 E HN -0.071 nan 8.360 nan 0.000 0.442 313 P HA -0.144 nan 4.420 nan 0.000 0.212 313 P C -0.191 177.239 177.300 0.215 0.000 1.027 313 P CA 0.686 63.871 63.100 0.142 0.000 0.913 313 P CB 0.252 32.001 31.700 0.081 0.000 0.573 314 V N -2.191 117.787 119.914 0.106 0.000 2.854 314 V HA 0.116 4.236 4.120 -0.001 0.000 0.274 314 V C -1.123 174.968 176.094 -0.004 0.000 1.423 314 V CA -0.689 61.611 62.300 0.000 0.000 0.925 314 V CB 0.340 31.969 31.823 -0.324 0.000 1.116 314 V HN 0.422 nan 8.190 nan 0.000 0.459 315 H N 5.505 124.543 119.070 -0.055 0.000 2.886 315 H HA 0.481 5.036 4.556 -0.001 0.000 0.329 315 H C 1.306 176.581 175.328 -0.088 0.000 1.044 315 H CA 1.476 57.493 56.048 -0.051 0.000 1.456 315 H CB 1.365 31.134 29.762 0.011 0.000 1.464 315 H HN 1.459 nan 8.280 nan 0.000 0.573 316 G N 3.243 111.909 108.800 -0.224 0.000 2.279 316 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.223 316 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.223 316 G C 0.239 175.038 174.900 -0.169 0.000 1.015 316 G CA 0.063 45.047 45.100 -0.193 0.000 0.621 316 G HN 0.856 nan 8.290 nan 0.000 0.506 317 V N -0.898 118.815 119.914 -0.335 0.000 2.488 317 V HA 0.805 4.925 4.120 -0.001 0.000 0.277 317 V C -0.317 175.470 176.094 -0.512 0.000 1.046 317 V CA -1.024 61.116 62.300 -0.266 0.000 0.986 317 V CB 0.595 32.321 31.823 -0.162 0.000 0.989 317 V HN 0.451 nan 8.190 nan 0.000 0.475 318 Y N 3.437 123.767 120.300 0.049 0.000 2.504 318 Y HA 0.443 4.992 4.550 -0.001 0.000 0.344 318 Y C -0.439 175.517 175.900 0.094 0.000 1.023 318 Y CA -1.002 57.154 58.100 0.092 0.000 1.020 318 Y CB 1.837 40.332 38.460 0.059 0.000 1.282 318 Y HN 0.791 nan 8.280 nan 0.000 0.454 319 Y N 3.313 123.732 120.300 0.198 0.000 2.632 319 Y HA 0.135 4.685 4.550 -0.001 0.000 0.329 319 Y C -0.223 175.707 175.900 0.050 0.000 1.174 319 Y CA -0.230 57.909 58.100 0.065 0.000 1.469 319 Y CB 0.334 38.891 38.460 0.162 0.000 1.242 319 Y HN 0.552 nan 8.280 nan 0.000 0.540 320 D N 9.342 129.331 120.400 -0.685 0.000 2.427 320 D HA 0.263 4.903 4.640 -0.001 0.000 0.226 320 D C -2.006 173.718 176.300 -0.959 0.000 1.076 320 D CA -2.659 50.982 54.000 -0.598 0.000 0.849 320 D CB 1.596 42.219 40.800 -0.294 0.000 1.052 320 D HN 0.357 nan 8.370 nan 0.000 0.515 321 P HA -0.141 nan 4.420 nan 0.000 0.226 321 P C 1.007 178.167 177.300 -0.233 0.000 1.146 321 P CA 0.700 63.508 63.100 -0.485 0.000 0.773 321 P CB 0.174 31.807 31.700 -0.111 0.000 0.772 322 S N -1.918 113.649 115.700 -0.222 0.000 2.496 322 S HA 0.047 4.516 4.470 -0.001 0.000 0.224 322 S C 0.953 175.474 174.600 -0.132 0.000 0.996 322 S CA 0.023 58.142 58.200 -0.135 0.000 0.927 322 S CB -0.399 62.734 63.200 -0.111 0.000 0.774 322 S HN 0.087 nan 8.310 nan 0.000 0.524 323 K N 1.747 122.035 120.400 -0.187 0.000 2.118 323 K HA 0.381 4.700 4.320 -0.001 0.000 0.254 323 K C -1.031 175.486 176.600 -0.138 0.000 0.961 323 K CA -0.744 55.454 56.287 -0.149 0.000 0.876 323 K CB 0.677 33.087 32.500 -0.150 0.000 1.077 323 K HN 0.193 nan 8.250 nan 0.000 0.440 324 D N 1.435 121.770 120.400 -0.108 0.000 2.362 324 D HA 0.080 4.719 4.640 -0.001 0.000 0.242 324 D C -0.095 176.101 176.300 -0.172 0.000 1.132 324 D CA -0.153 53.779 54.000 -0.113 0.000 0.907 324 D CB 0.792 41.532 40.800 -0.099 0.000 1.195 324 D HN -0.018 nan 8.370 nan 0.000 0.429 325 L N 2.134 123.224 121.223 -0.221 0.000 2.312 325 L HA 0.416 4.756 4.340 -0.001 0.000 0.281 325 L C 0.232 176.852 176.870 -0.418 0.000 1.070 325 L CA -0.283 54.342 54.840 -0.358 0.000 0.805 325 L CB 0.845 42.652 42.059 -0.421 0.000 1.174 325 L HN 0.255 nan 8.230 nan 0.000 0.434 326 I N 2.528 122.757 120.570 -0.569 0.000 2.509 326 I HA 0.638 4.807 4.170 -0.001 0.000 0.293 326 I C -0.280 175.345 176.117 -0.819 0.000 1.020 326 I CA -0.679 60.209 61.300 -0.686 0.000 1.088 326 I CB 2.075 39.626 38.000 -0.748 0.000 1.267 326 I HN 0.652 nan 8.210 nan 0.000 0.430 327 A N 5.497 127.889 122.820 -0.713 0.000 2.330 327 A HA 0.677 4.997 4.320 -0.001 0.000 0.313 327 A C -0.814 176.586 177.584 -0.306 0.000 1.124 327 A CA -0.520 51.170 52.037 -0.578 0.000 0.774 327 A CB 1.108 19.585 19.000 -0.872 0.000 1.198 327 A HN 0.738 nan 8.150 nan 0.000 0.465 328 E N 1.440 121.587 120.200 -0.089 0.000 2.195 328 E HA 0.627 4.976 4.350 -0.001 0.000 0.271 328 E C -1.205 175.482 176.600 0.145 0.000 0.923 328 E CA -0.434 56.002 56.400 0.061 0.000 0.790 328 E CB 2.098 31.887 29.700 0.150 0.000 1.155 328 E HN 0.628 nan 8.360 nan 0.000 0.402 329 I N 2.218 122.896 120.570 0.179 0.000 2.545 329 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 329 I C -0.807 175.465 176.117 0.258 0.000 1.040 329 I CA -0.859 60.599 61.300 0.262 0.000 1.068 329 I CB 1.949 40.111 38.000 0.270 0.000 1.251 329 I HN 0.322 nan 8.210 nan 0.000 0.424 330 Q N 4.219 124.185 119.800 0.276 0.000 2.353 330 Q HA 0.392 4.732 4.340 -0.001 0.000 0.268 330 Q C -0.778 175.300 176.000 0.129 0.000 1.045 330 Q CA -0.827 55.086 55.803 0.183 0.000 0.811 330 Q CB 2.465 31.270 28.738 0.113 0.000 1.305 330 Q HN 0.330 nan 8.270 nan 0.000 0.447 331 K N 2.027 122.379 120.400 -0.080 0.000 2.316 331 K HA 0.084 4.404 4.320 -0.001 0.000 0.289 331 K C 0.065 176.403 176.600 -0.436 0.000 1.070 331 K CA -0.036 55.874 56.287 -0.629 0.000 0.928 331 K CB 0.642 32.783 32.500 -0.597 0.000 1.039 331 K HN 0.555 nan 8.250 nan 0.000 0.480 332 Q N 2.439 121.951 119.800 -0.480 0.000 2.402 332 Q HA 0.129 4.468 4.340 -0.001 0.000 0.206 332 Q C 0.603 176.443 176.000 -0.266 0.000 0.919 332 Q CA 0.733 56.372 55.803 -0.272 0.000 0.923 332 Q CB 0.718 29.356 28.738 -0.167 0.000 1.048 332 Q HN 1.007 nan 8.270 nan 0.000 0.515 333 G N 1.015 109.590 108.800 -0.375 0.000 2.707 333 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.686 333 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.686 333 G C -0.671 174.117 174.900 -0.188 0.000 1.315 333 G CA -0.273 44.675 45.100 -0.255 0.000 0.832 333 G HN 0.160 nan 8.290 nan 0.000 0.573 334 Q N -1.891 117.842 119.800 -0.112 0.000 2.481 334 Q HA -0.003 4.336 4.340 -0.001 0.000 0.272 334 Q C 2.017 177.996 176.000 -0.034 0.000 1.157 334 Q CA 2.940 58.708 55.803 -0.059 0.000 0.935 334 Q CB -1.677 27.030 28.738 -0.053 0.000 1.338 334 Q HN 2.833 nan 8.270 nan 0.000 0.494 335 G N -1.321 107.468 108.800 -0.019 0.000 2.168 335 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.257 335 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.257 335 G C -0.043 174.923 174.900 0.111 0.000 0.997 335 G CA 0.516 45.679 45.100 0.107 0.000 0.708 335 G HN 0.410 nan 8.290 nan 0.000 0.520 336 Q N -1.374 118.358 119.800 -0.114 0.000 2.245 336 Q HA 0.631 4.971 4.340 -0.001 0.000 0.256 336 Q C -0.870 174.940 176.000 -0.316 0.000 0.942 336 Q CA -0.586 55.175 55.803 -0.071 0.000 0.896 336 Q CB 1.170 29.864 28.738 -0.074 0.000 1.272 336 Q HN 0.366 nan 8.270 nan 0.000 0.442 337 W N 0.749 122.130 121.300 0.135 0.000 3.097 337 W HA 0.315 4.974 4.660 -0.001 0.000 0.335 337 W C -0.500 176.142 176.519 0.205 0.000 1.114 337 W CA -0.599 56.858 57.345 0.187 0.000 1.231 337 W CB 1.520 31.141 29.460 0.269 0.000 1.388 337 W HN 0.478 nan 8.180 nan 0.000 0.485 338 T N -0.171 114.580 114.554 0.329 0.000 2.945 338 T HA 0.857 5.206 4.350 -0.001 0.000 0.286 338 T C -1.056 173.788 174.700 0.240 0.000 1.025 338 T CA -0.634 61.581 62.100 0.191 0.000 1.039 338 T CB 1.855 70.781 68.868 0.097 0.000 1.068 338 T HN 0.492 nan 8.240 nan 0.000 0.497 339 Y N -1.037 119.284 120.300 0.034 0.000 2.609 339 Y HA 0.781 5.331 4.550 -0.001 0.000 0.336 339 Y C -1.580 174.261 175.900 -0.099 0.000 1.129 339 Y CA -1.445 56.651 58.100 -0.007 0.000 1.040 339 Y CB 1.368 39.863 38.460 0.058 0.000 1.310 339 Y HN 0.623 nan 8.280 nan 0.000 0.460 340 Q N 2.245 122.094 119.800 0.082 0.000 2.359 340 Q HA 0.709 5.049 4.340 -0.001 0.000 0.274 340 Q C -1.555 174.495 176.000 0.083 0.000 1.074 340 Q CA -0.574 55.248 55.803 0.032 0.000 0.810 340 Q CB 3.322 32.056 28.738 -0.008 0.000 1.342 340 Q HN 0.750 nan 8.270 nan 0.000 0.427 341 I N 3.180 123.798 120.570 0.079 0.000 2.436 341 I HA 0.611 4.781 4.170 -0.001 0.000 0.289 341 I C -1.119 174.952 176.117 -0.076 0.000 1.010 341 I CA -1.042 60.191 61.300 -0.112 0.000 1.098 341 I CB 0.803 38.790 38.000 -0.023 0.000 1.266 341 I HN 0.661 nan 8.210 nan 0.000 0.434 342 Y N 2.852 123.059 120.300 -0.155 0.000 2.705 342 Y HA 0.477 5.027 4.550 -0.001 0.000 0.332 342 Y C -0.208 175.579 175.900 -0.189 0.000 1.221 342 Y CA -0.982 57.029 58.100 -0.148 0.000 1.059 342 Y CB 1.019 39.426 38.460 -0.088 0.000 1.298 342 Y HN 0.422 nan 8.280 nan 0.000 0.459 343 Q N -0.196 119.661 119.800 0.095 0.000 2.391 343 Q HA 0.306 4.646 4.340 -0.001 0.000 0.243 343 Q C -0.785 175.297 176.000 0.137 0.000 0.874 343 Q CA 0.313 56.120 55.803 0.007 0.000 0.950 343 Q CB 1.299 29.986 28.738 -0.085 0.000 1.103 343 Q HN 0.687 nan 8.270 nan 0.000 0.544 344 E N 1.847 122.155 120.200 0.180 0.000 2.241 344 E HA 0.269 4.618 4.350 -0.001 0.000 0.263 344 E C -2.666 173.812 176.600 -0.203 0.000 0.882 344 E CA -2.341 54.078 56.400 0.031 0.000 0.769 344 E CB 2.126 31.813 29.700 -0.022 0.000 1.185 344 E HN -0.066 nan 8.360 nan 0.000 0.415 345 P HA -0.145 nan 4.420 nan 0.000 0.261 345 P C -0.040 176.824 177.300 -0.728 0.000 1.165 345 P CA 0.703 63.173 63.100 -1.051 0.000 0.759 345 P CB 0.175 31.392 31.700 -0.805 0.000 0.772 346 F N -0.052 119.595 119.950 -0.504 0.000 2.552 346 F HA -0.239 4.288 4.527 -0.001 0.000 0.588 346 F C 1.084 176.727 175.800 -0.262 0.000 0.507 346 F CA 1.388 59.209 58.000 -0.299 0.000 1.012 346 F CB -2.084 36.735 39.000 -0.302 0.000 1.788 346 F HN 0.316 nan 8.300 nan 0.000 0.260 347 K N 2.023 122.375 120.400 -0.080 0.000 2.449 347 K HA 0.106 4.425 4.320 -0.001 0.000 0.237 347 K C -0.114 176.494 176.600 0.013 0.000 1.265 347 K CA -0.151 56.099 56.287 -0.062 0.000 1.193 347 K CB -0.438 32.030 32.500 -0.053 0.000 1.515 347 K HN 0.148 nan 8.250 nan 0.000 0.259 348 N N 2.074 120.792 118.700 0.030 0.000 2.434 348 N HA -0.050 4.689 4.740 -0.001 0.000 0.268 348 N C 0.821 176.382 175.510 0.085 0.000 1.256 348 N CA 0.302 53.423 53.050 0.120 0.000 0.914 348 N CB 0.669 39.244 38.487 0.146 0.000 1.088 348 N HN 0.324 nan 8.380 nan 0.000 0.478 349 L N 1.426 122.724 121.223 0.124 0.000 2.270 349 L HA 0.104 4.443 4.340 -0.001 0.000 0.210 349 L C 1.002 178.034 176.870 0.270 0.000 1.104 349 L CA 0.805 55.753 54.840 0.181 0.000 0.804 349 L CB 0.091 42.252 42.059 0.171 0.000 0.937 349 L HN 0.450 nan 8.230 nan 0.000 0.450 350 K N -0.151 120.395 120.400 0.243 0.000 2.569 350 K HA 0.276 4.596 4.320 -0.001 0.000 0.259 350 K C -1.245 175.433 176.600 0.129 0.000 0.932 350 K CA -0.342 56.077 56.287 0.221 0.000 0.833 350 K CB 1.929 34.624 32.500 0.325 0.000 1.340 350 K HN -0.072 nan 8.250 nan 0.000 0.429 351 T N -0.201 114.369 114.554 0.026 0.000 2.907 351 T HA 0.893 5.243 4.350 -0.001 0.000 0.292 351 T C -0.023 174.449 174.700 -0.380 0.000 1.043 351 T CA -0.418 61.580 62.100 -0.171 0.000 1.003 351 T CB 1.955 70.800 68.868 -0.038 0.000 1.084 351 T HN 0.687 nan 8.240 nan 0.000 0.483 352 G N 0.766 109.001 108.800 -0.941 0.000 2.682 352 G HA2 0.655 4.615 3.960 -0.001 0.000 0.303 352 G HA3 0.655 4.615 3.960 -0.001 0.000 0.303 352 G C -1.922 172.589 174.900 -0.649 0.000 1.341 352 G CA -0.977 43.600 45.100 -0.872 0.000 0.784 352 G HN 0.869 nan 8.290 nan 0.000 0.497 353 K N -1.392 118.940 120.400 -0.113 0.000 2.482 353 K HA 0.652 4.972 4.320 -0.001 0.000 0.257 353 K C -2.304 174.539 176.600 0.405 0.000 0.969 353 K CA -0.938 55.444 56.287 0.158 0.000 0.842 353 K CB 2.703 35.259 32.500 0.093 0.000 1.359 353 K HN 0.565 nan 8.250 nan 0.000 0.441 354 Y N 0.830 121.303 120.300 0.288 0.000 2.330 354 Y HA 0.541 5.091 4.550 -0.001 0.000 0.324 354 Y C -1.852 174.219 175.900 0.285 0.000 1.093 354 Y CA -0.478 57.777 58.100 0.259 0.000 1.103 354 Y CB 1.799 40.395 38.460 0.226 0.000 1.183 354 Y HN 0.641 nan 8.280 nan 0.000 0.433 355 A N 6.777 129.306 122.820 -0.485 0.000 2.303 355 A HA 0.601 4.921 4.320 -0.001 0.000 0.320 355 A C -0.592 176.671 177.584 -0.535 0.000 1.192 355 A CA -1.035 50.810 52.037 -0.320 0.000 0.821 355 A CB 0.400 19.319 19.000 -0.135 0.000 1.188 355 A HN 0.891 nan 8.150 nan 0.000 0.492 356 R N 2.990 123.351 120.500 -0.232 0.000 2.486 356 R HA 0.107 4.447 4.340 -0.001 0.000 0.304 356 R C -0.560 175.684 176.300 -0.094 0.000 0.913 356 R CA 0.580 56.619 56.100 -0.103 0.000 1.124 356 R CB -0.323 30.021 30.300 0.074 0.000 0.891 356 R HN 0.624 nan 8.270 nan 0.000 0.410 357 M N 4.435 123.999 119.600 -0.060 0.000 2.211 357 M HA 0.166 4.645 4.480 -0.001 0.000 0.356 357 M C 0.433 176.742 176.300 0.016 0.000 1.216 357 M CA -0.668 54.624 55.300 -0.013 0.000 1.134 357 M CB 1.107 33.722 32.600 0.025 0.000 1.564 357 M HN 0.601 nan 8.290 nan 0.000 0.463 358 R N 2.605 123.128 120.500 0.038 0.000 3.563 358 R HA -0.063 4.276 4.340 -0.001 0.000 0.297 358 R C 0.443 176.790 176.300 0.079 0.000 0.645 358 R CA 1.060 57.212 56.100 0.086 0.000 1.048 358 R CB -1.620 28.724 30.300 0.072 0.000 0.914 358 R HN 1.052 nan 8.270 nan 0.000 0.358 359 G N 1.603 110.444 108.800 0.067 0.000 4.077 359 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.199 359 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.199 359 G C 0.564 175.060 174.900 -0.673 0.000 1.302 359 G CA -0.045 44.925 45.100 -0.216 0.000 0.918 359 G HN 0.783 nan 8.290 nan 0.000 0.369 360 A N 2.118 124.742 122.820 -0.327 0.000 2.250 360 A HA 0.299 4.619 4.320 -0.001 0.000 0.208 360 A C 1.544 179.000 177.584 -0.213 0.000 1.254 360 A CA 1.169 53.042 52.037 -0.273 0.000 0.858 360 A CB -1.342 17.577 19.000 -0.134 0.000 0.820 360 A HN 0.917 nan 8.150 nan 0.000 0.484 361 H N -0.964 118.108 119.070 0.003 0.000 2.554 361 H HA -0.101 4.454 4.556 -0.001 0.000 0.292 361 H C 0.773 176.103 175.328 0.003 0.000 1.066 361 H CA 1.352 57.404 56.048 0.007 0.000 1.206 361 H CB -0.663 29.101 29.762 0.002 0.000 1.351 361 H HN 0.546 nan 8.280 nan 0.000 0.598 362 T N -3.329 111.242 114.554 0.028 0.000 3.326 362 T HA 0.074 4.423 4.350 -0.001 0.000 0.302 362 T C -0.000 174.680 174.700 -0.032 0.000 0.908 362 T CA -0.638 61.482 62.100 0.033 0.000 0.933 362 T CB 0.018 68.929 68.868 0.071 0.000 1.194 362 T HN 0.161 nan 8.240 nan 0.000 0.585 363 N N 1.016 119.674 118.700 -0.070 0.000 2.504 363 N HA 0.303 5.043 4.740 -0.001 0.000 0.280 363 N C -0.582 174.888 175.510 -0.066 0.000 1.052 363 N CA -0.266 52.710 53.050 -0.122 0.000 0.887 363 N CB 2.223 40.559 38.487 -0.253 0.000 1.323 363 N HN -0.096 nan 8.380 nan 0.000 0.509 364 D N 2.231 122.640 120.400 0.016 0.000 2.097 364 D HA -0.078 4.562 4.640 -0.001 0.000 0.197 364 D C 1.846 178.173 176.300 0.045 0.000 0.984 364 D CA 1.137 55.246 54.000 0.181 0.000 0.826 364 D CB 0.383 41.321 40.800 0.229 0.000 0.973 364 D HN 0.335 nan 8.370 nan 0.000 0.460 365 V N 1.220 121.102 119.914 -0.054 0.000 2.343 365 V HA -0.193 3.927 4.120 -0.001 0.000 0.247 365 V C 2.463 178.414 176.094 -0.240 0.000 1.051 365 V CA 1.300 63.572 62.300 -0.047 0.000 1.036 365 V CB -0.421 31.397 31.823 -0.008 0.000 0.654 365 V HN 0.162 nan 8.190 nan 0.000 0.451 366 K N 0.200 120.241 120.400 -0.599 0.000 2.032 366 K HA -0.246 4.073 4.320 -0.001 0.000 0.209 366 K C 2.232 178.597 176.600 -0.392 0.000 1.048 366 K CA 2.015 57.764 56.287 -0.898 0.000 0.927 366 K CB -0.288 31.600 32.500 -1.020 0.000 0.712 366 K HN 0.562 nan 8.250 nan 0.000 0.441 367 Q N 0.189 119.829 119.800 -0.266 0.000 2.084 367 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 367 Q C 2.114 177.780 176.000 -0.556 0.000 0.978 367 Q CA 1.288 56.959 55.803 -0.220 0.000 0.844 367 Q CB -0.139 28.601 28.738 0.003 0.000 0.898 367 Q HN 0.163 nan 8.270 nan 0.000 0.426 368 L N 0.723 121.565 121.223 -0.635 0.000 2.046 368 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 368 L C 2.476 179.221 176.870 -0.209 0.000 1.077 368 L CA 2.436 56.905 54.840 -0.618 0.000 0.747 368 L CB -0.997 40.873 42.059 -0.314 0.000 0.896 368 L HN 0.375 nan 8.230 nan 0.000 0.432 369 T N -3.749 110.821 114.554 0.026 0.000 2.821 369 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 369 T C 1.679 176.310 174.700 -0.116 0.000 1.046 369 T CA 1.422 63.638 62.100 0.193 0.000 1.139 369 T CB -0.531 68.474 68.868 0.229 0.000 0.871 369 T HN 0.516 nan 8.240 nan 0.000 0.454 370 E N 1.523 121.560 120.200 -0.271 0.000 2.051 370 E HA -0.002 4.348 4.350 -0.001 0.000 0.192 370 E C 2.729 178.913 176.600 -0.692 0.000 0.991 370 E CA 1.059 57.222 56.400 -0.395 0.000 0.799 370 E CB -0.414 29.123 29.700 -0.271 0.000 0.748 370 E HN 0.683 nan 8.360 nan 0.000 0.449 371 A N 1.082 123.319 122.820 -0.971 0.000 1.908 371 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 371 A C 2.530 179.793 177.584 -0.534 0.000 1.181 371 A CA 1.308 52.746 52.037 -0.997 0.000 0.627 371 A CB -0.748 17.779 19.000 -0.788 0.000 0.818 371 A HN 0.117 nan 8.150 nan 0.000 0.445 372 V N -0.127 119.542 119.914 -0.408 0.000 2.295 372 V HA -0.342 3.778 4.120 -0.001 0.000 0.246 372 V C 2.661 178.627 176.094 -0.215 0.000 1.049 372 V CA 2.366 64.410 62.300 -0.427 0.000 1.024 372 V CB -0.958 30.615 31.823 -0.417 0.000 0.648 372 V HN 0.656 nan 8.190 nan 0.000 0.447 373 Q N -0.262 119.424 119.800 -0.191 0.000 2.084 373 Q HA -0.239 4.100 4.340 -0.001 0.000 0.202 373 Q C 2.405 178.428 176.000 0.038 0.000 0.978 373 Q CA 1.799 57.586 55.803 -0.027 0.000 0.844 373 Q CB -0.258 28.264 28.738 -0.359 0.000 0.898 373 Q HN 0.597 nan 8.270 nan 0.000 0.426 374 K N 1.069 121.378 120.400 -0.153 0.000 2.002 374 K HA -0.180 4.140 4.320 -0.001 0.000 0.209 374 K C 1.966 178.460 176.600 -0.176 0.000 1.048 374 K CA 1.315 57.517 56.287 -0.142 0.000 0.930 374 K CB -0.139 32.230 32.500 -0.218 0.000 0.714 374 K HN 0.140 nan 8.250 nan 0.000 0.438 375 I N 1.088 121.497 120.570 -0.267 0.000 2.163 375 I HA -0.279 3.890 4.170 -0.001 0.000 0.243 375 I C 2.256 178.316 176.117 -0.095 0.000 1.085 375 I CA 1.640 62.755 61.300 -0.307 0.000 1.347 375 I CB -0.490 37.296 38.000 -0.356 0.000 1.044 375 I HN 0.267 nan 8.210 nan 0.000 0.408 376 T N -0.134 114.449 114.554 0.049 0.000 2.684 376 T HA -0.192 4.158 4.350 -0.001 0.000 0.267 376 T C 1.915 176.485 174.700 -0.217 0.000 1.036 376 T CA 2.090 64.131 62.100 -0.098 0.000 1.148 376 T CB -0.500 68.200 68.868 -0.280 0.000 0.863 376 T HN 0.370 nan 8.240 nan 0.000 0.436 377 T N 2.191 116.732 114.554 -0.022 0.000 2.684 377 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 377 T C 1.971 176.690 174.700 0.031 0.000 1.036 377 T CA 1.370 63.542 62.100 0.121 0.000 1.148 377 T CB -0.329 68.703 68.868 0.275 0.000 0.863 377 T HN 0.566 nan 8.240 nan 0.000 0.436 378 E N 0.921 121.072 120.200 -0.082 0.000 2.077 378 E HA -0.095 4.255 4.350 -0.001 0.000 0.193 378 E C 2.629 179.136 176.600 -0.155 0.000 0.989 378 E CA 1.257 57.545 56.400 -0.186 0.000 0.800 378 E CB -0.186 29.194 29.700 -0.534 0.000 0.746 378 E HN 0.345 nan 8.360 nan 0.000 0.452 379 S N 1.081 116.710 115.700 -0.119 0.000 2.359 379 S HA -0.160 4.309 4.470 -0.001 0.000 0.224 379 S C 2.087 176.577 174.600 -0.184 0.000 1.035 379 S CA 0.944 59.146 58.200 0.004 0.000 1.018 379 S CB -0.254 62.957 63.200 0.019 0.000 0.876 379 S HN 0.206 nan 8.310 nan 0.000 0.448 380 I N 1.159 121.527 120.570 -0.336 0.000 2.163 380 I HA -0.180 3.989 4.170 -0.001 0.000 0.243 380 I C 2.199 178.071 176.117 -0.408 0.000 1.085 380 I CA 1.011 61.998 61.300 -0.521 0.000 1.347 380 I CB -0.578 37.016 38.000 -0.678 0.000 1.044 380 I HN 0.157 nan 8.210 nan 0.000 0.408 381 V N 1.123 120.881 119.914 -0.261 0.000 2.295 381 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 381 V C 2.260 178.271 176.094 -0.138 0.000 1.049 381 V CA 1.960 64.187 62.300 -0.123 0.000 1.024 381 V CB -0.388 31.492 31.823 0.096 0.000 0.648 381 V HN 0.320 nan 8.190 nan 0.000 0.447 382 I N -1.622 118.729 120.570 -0.366 0.000 2.233 382 I HA -0.171 3.999 4.170 -0.001 0.000 0.243 382 I C 2.144 177.755 176.117 -0.843 0.000 1.093 382 I CA 1.622 62.488 61.300 -0.724 0.000 1.380 382 I CB -0.264 36.905 38.000 -1.385 0.000 1.067 382 I HN 0.375 nan 8.210 nan 0.000 0.413 383 W N -0.032 120.900 121.300 -0.613 0.000 2.940 383 W HA 0.397 5.057 4.660 -0.001 0.000 0.297 383 W C 1.314 177.073 176.519 -1.267 0.000 1.149 383 W CA 0.557 57.330 57.345 -0.954 0.000 1.564 383 W CB -0.302 28.541 29.460 -1.028 0.000 1.010 383 W HN 0.273 nan 8.180 nan 0.000 0.578 384 G N 2.477 110.629 108.800 -1.080 0.000 2.225 384 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.264 384 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.264 384 G C -0.096 174.647 174.900 -0.261 0.000 1.060 384 G CA 0.896 45.605 45.100 -0.651 0.000 0.833 384 G HN 0.251 nan 8.290 nan 0.000 0.498 385 K N -0.292 119.914 120.400 -0.324 0.000 2.546 385 K HA 0.625 4.945 4.320 -0.001 0.000 0.264 385 K C 0.168 176.613 176.600 -0.258 0.000 0.937 385 K CA -0.178 56.002 56.287 -0.177 0.000 0.833 385 K CB 1.333 33.813 32.500 -0.034 0.000 1.378 385 K HN 0.378 nan 8.250 nan 0.000 0.432 386 T N 0.816 115.246 114.554 -0.208 0.000 2.875 386 T HA 0.562 4.911 4.350 -0.001 0.000 0.284 386 T C -2.297 172.293 174.700 -0.183 0.000 0.995 386 T CA -1.562 60.405 62.100 -0.223 0.000 1.060 386 T CB 1.249 69.998 68.868 -0.199 0.000 0.967 386 T HN 0.338 nan 8.240 nan 0.000 0.476 387 P HA 0.340 nan 4.420 nan 0.000 0.278 387 P C -0.823 176.243 177.300 -0.390 0.000 1.258 387 P CA -0.828 62.018 63.100 -0.423 0.000 0.811 387 P CB 0.712 32.006 31.700 -0.677 0.000 1.063 388 K N 1.913 122.087 120.400 -0.376 0.000 2.262 388 K HA 0.305 4.624 4.320 -0.001 0.000 0.282 388 K C -0.826 175.579 176.600 -0.325 0.000 1.066 388 K CA -0.574 55.575 56.287 -0.230 0.000 0.901 388 K CB -0.470 31.920 32.500 -0.183 0.000 1.089 388 K HN 0.315 nan 8.250 nan 0.000 0.476 389 F N 2.626 122.494 119.950 -0.137 0.000 2.384 389 F HA 0.278 4.805 4.527 -0.000 0.000 0.338 389 F C 1.099 176.778 175.800 -0.201 0.000 1.103 389 F CA -0.143 57.763 58.000 -0.157 0.000 1.157 389 F CB 0.957 39.875 39.000 -0.137 0.000 1.167 389 F HN 0.154 nan 8.300 nan 0.000 0.529 390 K N 4.734 125.125 120.400 -0.015 0.000 2.419 390 K HA 0.386 4.705 4.320 -0.001 0.000 0.244 390 K C -1.175 175.390 176.600 -0.058 0.000 1.045 390 K CA -0.311 55.938 56.287 -0.064 0.000 1.004 390 K CB 0.784 33.271 32.500 -0.022 0.000 1.376 390 K HN 0.496 nan 8.250 nan 0.000 0.460 391 L N 4.995 126.095 121.223 -0.205 0.000 2.278 391 L HA 0.232 4.571 4.340 -0.001 0.000 0.287 391 L C -1.715 175.147 176.870 -0.014 0.000 1.072 391 L CA -1.896 52.813 54.840 -0.218 0.000 0.819 391 L CB 0.444 42.137 42.059 -0.609 0.000 1.176 391 L HN 0.282 nan 8.230 nan 0.000 0.435 392 P HA 0.189 nan 4.420 nan 0.000 0.230 392 P C -0.479 176.917 177.300 0.161 0.000 1.791 392 P CA 0.486 63.665 63.100 0.131 0.000 1.020 392 P CB 0.436 32.237 31.700 0.169 0.000 1.977 393 I N -0.763 119.913 120.570 0.176 0.000 3.066 393 I HA 0.230 4.400 4.170 -0.001 0.000 0.307 393 I C -1.117 175.084 176.117 0.140 0.000 1.366 393 I CA -1.239 60.171 61.300 0.183 0.000 0.972 393 I CB 3.033 41.172 38.000 0.232 0.000 1.307 393 I HN -0.114 nan 8.210 nan 0.000 0.470 394 Q N 4.897 124.733 119.800 0.060 0.000 2.296 394 Q HA 0.107 4.447 4.340 -0.001 0.000 0.262 394 Q C 0.790 176.612 176.000 -0.296 0.000 0.981 394 Q CA 0.016 55.785 55.803 -0.056 0.000 0.905 394 Q CB 1.373 30.118 28.738 0.012 0.000 1.186 394 Q HN 0.609 nan 8.270 nan 0.000 0.399 395 K N 3.462 123.438 120.400 -0.707 0.000 2.015 395 K HA -0.312 4.008 4.320 -0.001 0.000 0.220 395 K C 1.062 177.372 176.600 -0.482 0.000 1.055 395 K CA 2.528 58.047 56.287 -1.281 0.000 0.951 395 K CB 0.104 32.093 32.500 -0.852 0.000 0.725 395 K HN 0.662 nan 8.250 nan 0.000 0.449 396 E N -0.045 120.031 120.200 -0.208 0.000 2.114 396 E HA -0.171 4.179 4.350 -0.001 0.000 0.199 396 E C 2.009 178.612 176.600 0.006 0.000 1.008 396 E CA 2.174 58.539 56.400 -0.058 0.000 0.810 396 E CB -0.533 29.159 29.700 -0.013 0.000 0.739 396 E HN 0.440 nan 8.360 nan 0.000 0.456 397 T N 0.302 114.911 114.554 0.091 0.000 2.674 397 T HA -0.180 4.170 4.350 -0.001 0.000 0.265 397 T C 1.324 176.235 174.700 0.351 0.000 1.039 397 T CA 1.214 63.511 62.100 0.327 0.000 1.150 397 T CB -0.471 68.584 68.868 0.311 0.000 0.864 397 T HN 0.402 nan 8.240 nan 0.000 0.427 398 W N 2.499 123.812 121.300 0.021 0.000 2.335 398 W HA -0.145 4.515 4.660 -0.000 0.000 0.311 398 W C 1.971 178.524 176.519 0.055 0.000 1.213 398 W CA 1.402 58.750 57.345 0.004 0.000 1.274 398 W CB -0.230 29.154 29.460 -0.126 0.000 1.148 398 W HN 0.350 nan 8.180 nan 0.000 0.498 399 E N -0.242 120.000 120.200 0.069 0.000 2.070 399 E HA -0.225 4.124 4.350 -0.001 0.000 0.197 399 E C 1.930 178.484 176.600 -0.076 0.000 1.004 399 E CA 2.460 58.876 56.400 0.027 0.000 0.805 399 E CB -0.884 28.818 29.700 0.004 0.000 0.744 399 E HN 0.258 nan 8.360 nan 0.000 0.451 400 T N -0.007 114.433 114.554 -0.190 0.000 2.746 400 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 400 T C 1.349 175.649 174.700 -0.666 0.000 1.039 400 T CA 1.017 62.795 62.100 -0.537 0.000 1.142 400 T CB -0.079 68.217 68.868 -0.953 0.000 0.866 400 T HN 0.335 nan 8.240 nan 0.000 0.444 401 W N 0.300 121.489 121.300 -0.185 0.000 2.993 401 W HA 0.216 4.875 4.660 -0.001 0.000 0.290 401 W C 2.046 178.337 176.519 -0.380 0.000 1.203 401 W CA -0.818 56.388 57.345 -0.232 0.000 1.582 401 W CB -0.449 28.985 29.460 -0.042 0.000 1.033 401 W HN 0.397 nan 8.180 nan 0.000 0.594 402 W N 2.244 123.173 121.300 -0.618 0.000 2.305 402 W HA -0.283 4.377 4.660 -0.000 0.000 0.308 402 W C 1.555 177.841 176.519 -0.389 0.000 1.226 402 W CA 2.541 59.369 57.345 -0.862 0.000 1.253 402 W CB -1.903 26.526 29.460 -1.719 0.000 1.146 402 W HN -0.153 nan 8.180 nan 0.000 0.507 403 T N -0.971 112.801 114.554 -1.302 0.000 3.007 403 T HA -0.191 4.158 4.350 -0.001 0.000 0.270 403 T C 1.452 175.848 174.700 -0.507 0.000 1.107 403 T CA 1.621 63.062 62.100 -1.099 0.000 1.118 403 T CB -0.457 67.635 68.868 -1.293 0.000 0.889 403 T HN 0.115 nan 8.240 nan 0.000 0.506 404 E N 1.120 121.007 120.200 -0.521 0.000 2.204 404 E HA -0.063 4.287 4.350 -0.001 0.000 0.194 404 E C 0.572 176.681 176.600 -0.817 0.000 0.989 404 E CA 1.049 57.046 56.400 -0.671 0.000 0.824 404 E CB -0.265 28.924 29.700 -0.852 0.000 0.756 404 E HN 0.882 nan 8.360 nan 0.000 0.477 405 Y N -2.659 117.618 120.300 -0.038 0.000 2.563 405 Y HA 0.222 4.772 4.550 -0.001 0.000 0.250 405 Y C 0.232 176.128 175.900 -0.006 0.000 1.126 405 Y CA -0.948 57.132 58.100 -0.032 0.000 1.231 405 Y CB -0.154 38.278 38.460 -0.047 0.000 1.288 405 Y HN -0.015 nan 8.280 nan 0.000 0.537 406 W N 4.069 125.328 121.300 -0.069 0.000 2.253 406 W HA 0.137 4.796 4.660 -0.001 0.000 0.322 406 W C 0.059 176.528 176.519 -0.084 0.000 1.342 406 W CA 0.833 58.156 57.345 -0.037 0.000 1.218 406 W CB 0.938 30.383 29.460 -0.024 0.000 1.205 406 W HN 0.316 nan 8.180 nan 0.000 0.551 407 Q N 3.326 122.854 119.800 -0.453 0.000 2.126 407 Q HA 0.191 4.531 4.340 -0.001 0.000 0.233 407 Q C 0.445 176.187 176.000 -0.430 0.000 0.788 407 Q CA -0.218 55.401 55.803 -0.308 0.000 0.968 407 Q CB 1.228 29.813 28.738 -0.254 0.000 1.163 407 Q HN 0.395 nan 8.270 nan 0.000 0.471 408 A N 1.013 123.325 122.820 -0.847 0.000 2.332 408 A HA 0.265 4.585 4.320 -0.001 0.000 0.258 408 A C 1.235 178.604 177.584 -0.357 0.000 1.087 408 A CA 0.147 51.634 52.037 -0.916 0.000 0.802 408 A CB 0.423 18.246 19.000 -1.962 0.000 1.042 408 A HN 0.261 nan 8.150 nan 0.000 0.489 409 T N -1.422 112.871 114.554 -0.435 0.000 3.067 409 T HA 0.061 4.411 4.350 -0.001 0.000 0.261 409 T C 0.579 175.360 174.700 0.134 0.000 1.110 409 T CA 0.421 62.481 62.100 -0.065 0.000 1.113 409 T CB -0.325 68.525 68.868 -0.030 0.000 0.917 409 T HN 0.700 nan 8.240 nan 0.000 0.499 410 W N 0.723 122.254 121.300 0.384 0.000 2.578 410 W HA 0.756 5.415 4.660 -0.000 0.000 0.364 410 W C -1.099 175.706 176.519 0.476 0.000 1.144 410 W CA -1.765 55.801 57.345 0.368 0.000 1.242 410 W CB 0.679 30.352 29.460 0.354 0.000 1.382 410 W HN -0.097 nan 8.180 nan 0.000 0.625 411 I N 2.676 123.673 120.570 0.711 0.000 2.534 411 I HA 0.212 4.381 4.170 -0.001 0.000 0.286 411 I C -2.154 174.032 176.117 0.114 0.000 1.094 411 I CA -2.187 59.305 61.300 0.320 0.000 1.055 411 I CB 2.093 40.008 38.000 -0.141 0.000 1.225 411 I HN -0.008 nan 8.210 nan 0.000 0.435 412 P HA 0.256 nan 4.420 nan 0.000 0.279 412 P C -0.775 176.337 177.300 -0.313 0.000 1.276 412 P CA -0.409 62.701 63.100 0.017 0.000 0.801 412 P CB 0.995 32.875 31.700 0.301 0.000 1.127 413 E N 0.013 120.100 120.200 -0.189 0.000 2.343 413 E HA 0.280 4.630 4.350 -0.001 0.000 0.269 413 E C -0.609 175.899 176.600 -0.154 0.000 1.047 413 E CA 0.251 56.468 56.400 -0.306 0.000 0.874 413 E CB 0.525 30.134 29.700 -0.151 0.000 1.033 413 E HN 0.456 nan 8.360 nan 0.000 0.409 414 W N 0.732 121.929 121.300 -0.173 0.000 3.118 414 W HA 0.511 5.171 4.660 -0.001 0.000 0.328 414 W C -0.861 175.361 176.519 -0.495 0.000 1.239 414 W CA -1.090 56.047 57.345 -0.347 0.000 1.176 414 W CB 0.152 29.272 29.460 -0.567 0.000 1.433 414 W HN 0.450 nan 8.180 nan 0.000 0.562 415 E N 0.519 120.516 120.200 -0.337 0.000 2.429 415 E HA 0.735 5.084 4.350 -0.001 0.000 0.276 415 E C -1.857 174.259 176.600 -0.806 0.000 0.953 415 E CA -1.056 55.064 56.400 -0.465 0.000 0.787 415 E CB 2.415 32.039 29.700 -0.127 0.000 1.307 415 E HN 0.267 nan 8.360 nan 0.000 0.458 416 F N 0.799 120.745 119.950 -0.006 0.000 2.458 416 F HA 0.520 5.047 4.527 -0.001 0.000 0.336 416 F C 0.150 175.952 175.800 0.003 0.000 1.114 416 F CA -0.788 57.189 58.000 -0.038 0.000 0.987 416 F CB 2.007 40.985 39.000 -0.036 0.000 1.130 416 F HN 0.455 nan 8.300 nan 0.000 0.458 417 V N -0.272 119.722 119.914 0.133 0.000 3.141 417 V HA 0.617 4.736 4.120 -0.001 0.000 0.312 417 V C -1.044 175.108 176.094 0.098 0.000 1.157 417 V CA -1.033 61.326 62.300 0.098 0.000 1.041 417 V CB 2.358 34.218 31.823 0.061 0.000 1.071 417 V HN 0.673 nan 8.190 nan 0.000 0.441 418 N N 1.549 120.296 118.700 0.079 0.000 2.546 418 N HA 0.304 5.043 4.740 -0.001 0.000 0.238 418 N C -0.275 175.268 175.510 0.054 0.000 0.984 418 N CA -0.233 52.856 53.050 0.065 0.000 0.935 418 N CB 1.354 39.874 38.487 0.055 0.000 1.122 418 N HN 0.879 nan 8.380 nan 0.000 0.510 419 T N 3.283 117.869 114.554 0.053 0.000 2.800 419 T HA 0.035 4.385 4.350 -0.001 0.000 0.283 419 T C -2.145 172.563 174.700 0.012 0.000 0.999 419 T CA -0.225 61.900 62.100 0.042 0.000 1.176 419 T CB -0.056 68.835 68.868 0.039 0.000 0.973 419 T HN 0.235 nan 8.240 nan 0.000 0.519 420 P HA 0.204 nan 4.420 nan 0.000 0.270 420 P C -1.877 175.364 177.300 -0.099 0.000 1.242 420 P CA -1.526 61.563 63.100 -0.018 0.000 0.768 420 P CB 0.430 32.143 31.700 0.022 0.000 0.820 421 P HA -0.212 nan 4.420 nan 0.000 0.218 421 P C 1.333 178.418 177.300 -0.359 0.000 1.152 421 P CA 1.367 64.355 63.100 -0.187 0.000 0.857 421 P CB -0.101 31.513 31.700 -0.144 0.000 0.787 422 L N -1.437 119.508 121.223 -0.464 0.000 2.017 422 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 422 L C 2.382 178.367 176.870 -1.476 0.000 1.073 422 L CA 1.328 55.559 54.840 -1.014 0.000 0.745 422 L CB -1.263 40.378 42.059 -0.696 0.000 0.894 422 L HN -0.138 nan 8.230 nan 0.000 0.432 423 V N 0.384 119.821 119.914 -0.795 0.000 2.317 423 V HA -0.397 3.723 4.120 -0.001 0.000 0.251 423 V C 2.605 178.494 176.094 -0.341 0.000 1.065 423 V CA 2.274 64.295 62.300 -0.464 0.000 1.049 423 V CB -0.750 31.073 31.823 0.001 0.000 0.651 423 V HN 0.494 nan 8.190 nan 0.000 0.450 424 K N -0.195 120.027 120.400 -0.297 0.000 2.032 424 K HA -0.200 4.120 4.320 -0.001 0.000 0.209 424 K C 2.171 178.634 176.600 -0.229 0.000 1.048 424 K CA 1.778 57.959 56.287 -0.177 0.000 0.927 424 K CB -0.236 32.160 32.500 -0.173 0.000 0.712 424 K HN 0.421 nan 8.250 nan 0.000 0.441 425 L N -0.371 120.575 121.223 -0.462 0.000 1.994 425 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 425 L C 2.435 179.210 176.870 -0.159 0.000 1.071 425 L CA 1.683 56.294 54.840 -0.382 0.000 0.745 425 L CB -0.572 41.103 42.059 -0.639 0.000 0.892 425 L HN 0.441 nan 8.230 nan 0.000 0.431 426 W N -0.948 120.095 121.300 -0.429 0.000 2.304 426 W HA -0.290 4.370 4.660 -0.001 0.000 0.315 426 W C 2.146 178.366 176.519 -0.498 0.000 1.233 426 W CA 0.167 57.081 57.345 -0.718 0.000 1.261 426 W CB -0.468 27.893 29.460 -1.831 0.000 1.150 426 W HN 0.143 nan 8.180 nan 0.000 0.494 427 Y N -0.137 120.193 120.300 0.050 0.000 2.457 427 Y HA 0.124 4.673 4.550 -0.001 0.000 0.263 427 Y C 1.373 177.305 175.900 0.053 0.000 1.164 427 Y CA -0.082 58.076 58.100 0.098 0.000 1.274 427 Y CB -0.849 37.677 38.460 0.109 0.000 1.097 427 Y HN -0.075 nan 8.280 nan 0.000 0.523 428 Q N 1.296 121.164 119.800 0.115 0.000 2.349 428 Q HA 0.237 4.577 4.340 -0.001 0.000 0.287 428 Q C -0.900 175.143 176.000 0.072 0.000 1.044 428 Q CA 0.209 56.045 55.803 0.054 0.000 0.918 428 Q CB 0.494 29.224 28.738 -0.013 0.000 1.242 428 Q HN 0.330 nan 8.270 nan 0.000 0.405 429 L N 1.920 123.172 121.223 0.050 0.000 2.304 429 L HA 0.906 5.246 4.340 -0.001 0.000 0.268 429 L C 0.070 176.954 176.870 0.024 0.000 1.010 429 L CA -0.150 54.720 54.840 0.049 0.000 0.813 429 L CB 1.861 43.952 42.059 0.053 0.000 1.315 429 L HN 0.857 nan 8.230 nan 0.000 0.445 430 E N 0.000 120.214 120.200 0.023 0.000 2.725 430 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 430 E CA 0.000 nan 56.400 nan 0.000 0.976 430 E CB 0.000 nan 29.700 nan 0.000 0.812 430 E HN 0.000 nan 8.360 nan 0.000 0.440