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 2z5l_1_A DATA FIRST_RESID 1 DATA SEQUENCE SPTDAWRYRV TWKALXXXXX XXXXXXGRCL LVAPPTTDGE LLDGLTTVLS DATA SEQUENCE ERGASVARLE VPIGARRAEV AELLKPSMES AGEENTTVVS LLGLVPSTDA DATA SEQUENCE VRTSIALLQA VSDIGVPAAR VWALTRRAVA VVPGETPQDA GAQLWGFGRV DATA SEQUENCE AALELPDIWG GLIDLPEXXX XXXXXXXXXX XXXXXXXXXX XNRRALELAA DATA SEQUENCE AVLAGRDGED QVAVRASGIY GRRVSRAAAA GAASWQPSGT VLITGGMGAI DATA SEQUENCE GRRLARRLAA EGAERLVLTS RRGPEAPGAA ELAEELRGHG CEVVHAACDV DATA SEQUENCE AERDALAALV TAYPPNAVFH TAGILDDAVI DTLSPESFET VRGAKVCGAE DATA SEQUENCE LLHQLTADIK GLDAFVLFSS VTGTWGNAGQ GAYAAANAAL DALAERRRAA DATA SEQUENCE GLPATSVAWG LWGGGGMAAG AGEESLSRRG LRAMDPDAAV DALLGAMGRN DATA SEQUENCE DVCVTVVDVD WERFAPATNA IRPGRLFDTV PEAREALT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.500 174.600 -0.166 0.000 1.055 1 S CA 0.000 58.135 58.200 -0.109 0.000 1.107 1 S CB 0.000 63.139 63.200 -0.101 0.000 0.593 2 P HA -0.039 nan 4.420 nan 0.000 0.226 2 P C 1.096 178.084 177.300 -0.520 0.000 1.153 2 P CA 1.098 64.027 63.100 -0.285 0.000 0.777 2 P CB -0.390 31.164 31.700 -0.243 0.000 0.794 3 T N -4.850 109.377 114.554 -0.545 0.000 3.129 3 T HA 0.058 4.413 4.350 0.009 0.000 0.251 3 T C 1.201 175.635 174.700 -0.444 0.000 1.117 3 T CA 0.053 61.670 62.100 -0.805 0.000 1.034 3 T CB -0.563 68.000 68.868 -0.507 0.000 0.968 3 T HN -0.085 nan 8.240 nan 0.000 0.526 4 D N 1.873 122.098 120.400 -0.292 0.000 2.348 4 D HA 0.112 4.758 4.640 0.009 0.000 0.216 4 D C 1.908 178.113 176.300 -0.157 0.000 0.970 4 D CA 0.741 54.639 54.000 -0.170 0.000 0.889 4 D CB -0.075 40.649 40.800 -0.126 0.000 0.912 4 D HN 0.634 nan 8.370 nan 0.000 0.524 5 A N -0.391 122.307 122.820 -0.203 0.000 2.238 5 A HA -0.027 4.299 4.320 0.009 0.000 0.208 5 A C 0.957 178.642 177.584 0.167 0.000 1.177 5 A CA -0.020 51.980 52.037 -0.061 0.000 0.804 5 A CB -0.347 18.638 19.000 -0.024 0.000 0.823 5 A HN 0.162 nan 8.150 nan 0.000 0.482 6 W N 0.061 121.326 121.300 -0.060 0.000 3.008 6 W HA 0.314 4.977 4.660 0.006 0.000 0.355 6 W C 0.229 176.753 176.519 0.008 0.000 1.095 6 W CA -0.798 56.582 57.345 0.059 0.000 1.738 6 W CB -0.112 29.376 29.460 0.046 0.000 1.091 6 W HN 0.143 nan 8.180 nan 0.000 0.574 7 R N 0.895 121.385 120.500 -0.017 0.000 2.234 7 R HA 0.387 4.733 4.340 0.009 0.000 0.324 7 R C -1.126 175.030 176.300 -0.241 0.000 1.054 7 R CA 0.021 56.085 56.100 -0.060 0.000 0.912 7 R CB 0.514 30.770 30.300 -0.073 0.000 1.030 7 R HN -0.167 nan 8.270 nan 0.000 0.455 8 Y N 1.233 121.605 120.300 0.120 0.000 2.634 8 Y HA 0.553 5.108 4.550 0.007 0.000 0.340 8 Y C 0.283 176.241 175.900 0.096 0.000 1.058 8 Y CA -1.202 57.004 58.100 0.178 0.000 1.081 8 Y CB 1.741 40.438 38.460 0.396 0.000 1.295 8 Y HN 0.494 nan 8.280 nan 0.000 0.487 9 R N -1.059 119.600 120.500 0.265 0.000 2.766 9 R HA 0.869 5.215 4.340 0.009 0.000 0.270 9 R C -2.416 173.926 176.300 0.070 0.000 1.035 9 R CA -1.016 55.154 56.100 0.117 0.000 0.911 9 R CB 1.271 31.597 30.300 0.043 0.000 1.243 9 R HN 0.374 nan 8.270 nan 0.000 0.460 10 V N 1.709 121.607 119.914 -0.028 0.000 2.370 10 V HA 0.441 4.566 4.120 0.009 0.000 0.283 10 V C 0.034 175.970 176.094 -0.264 0.000 1.023 10 V CA -0.220 61.980 62.300 -0.166 0.000 0.857 10 V CB 1.212 32.904 31.823 -0.218 0.000 0.985 10 V HN 0.971 nan 8.190 nan 0.000 0.443 11 T N 0.527 114.890 114.554 -0.318 0.000 2.910 11 T HA 0.687 5.043 4.350 0.009 0.000 0.287 11 T C -1.178 173.262 174.700 -0.435 0.000 1.050 11 T CA -0.793 61.153 62.100 -0.256 0.000 1.011 11 T CB 1.738 70.567 68.868 -0.066 0.000 1.195 11 T HN 0.458 nan 8.240 nan 0.000 0.540 12 W N 0.982 122.315 121.300 0.055 0.000 2.393 12 W HA 0.501 5.151 4.660 -0.017 0.000 0.315 12 W C 0.041 176.684 176.519 0.207 0.000 1.009 12 W CA -0.892 56.524 57.345 0.119 0.000 1.313 12 W CB 1.384 30.876 29.460 0.053 0.000 1.269 12 W HN 0.616 nan 8.180 nan 0.000 0.420 13 K N 2.901 123.519 120.400 0.365 0.000 2.284 13 K HA 0.568 4.894 4.320 0.009 0.000 0.287 13 K C 0.327 177.054 176.600 0.211 0.000 1.081 13 K CA -0.379 56.051 56.287 0.239 0.000 0.910 13 K CB 0.651 33.223 32.500 0.121 0.000 1.088 13 K HN 0.554 nan 8.250 nan 0.000 0.478 14 A N 6.270 129.146 122.820 0.094 0.000 2.496 14 A HA 0.106 4.431 4.320 0.009 0.000 0.278 14 A C 0.195 177.685 177.584 -0.156 0.000 1.137 14 A CA -0.100 51.754 52.037 -0.304 0.000 0.805 14 A CB -0.295 18.449 19.000 -0.426 0.000 1.077 14 A HN 0.817 nan 8.150 nan 0.000 0.513 28 R N -0.514 119.977 120.500 -0.015 0.000 2.288 28 R HA 0.514 4.860 4.340 0.009 0.000 0.330 28 R C -0.483 175.810 176.300 -0.013 0.000 1.069 28 R CA -0.297 55.795 56.100 -0.013 0.000 0.941 28 R CB -0.152 30.144 30.300 -0.007 0.000 0.998 28 R HN 0.359 nan 8.270 nan 0.000 0.452 29 C N 3.737 123.025 119.300 -0.020 0.000 2.364 29 C HA 0.479 4.944 4.460 0.009 0.000 0.356 29 C C -0.091 174.893 174.990 -0.010 0.000 1.201 29 C CA -0.832 58.174 59.018 -0.020 0.000 2.227 29 C CB 0.836 28.553 27.740 -0.038 0.000 2.387 29 C HN 0.799 nan 8.230 nan 0.000 0.546 30 L N 3.071 124.292 121.223 -0.002 0.000 2.377 30 L HA 0.538 4.883 4.340 0.009 0.000 0.270 30 L C -0.811 176.063 176.870 0.006 0.000 0.991 30 L CA -0.004 54.838 54.840 0.004 0.000 0.851 30 L CB 0.555 42.620 42.059 0.010 0.000 1.218 30 L HN 0.595 nan 8.230 nan 0.000 0.420 31 L N 6.069 127.294 121.223 0.003 0.000 2.278 31 L HA 0.435 4.781 4.340 0.009 0.000 0.287 31 L C -0.460 176.418 176.870 0.012 0.000 1.072 31 L CA -0.665 54.179 54.840 0.006 0.000 0.819 31 L CB 1.099 43.159 42.059 0.001 0.000 1.176 31 L HN 0.294 nan 8.230 nan 0.000 0.435 32 V N 3.222 123.148 119.914 0.020 0.000 2.394 32 V HA 0.781 4.907 4.120 0.009 0.000 0.282 32 V C 0.328 176.437 176.094 0.024 0.000 1.031 32 V CA -0.314 61.999 62.300 0.022 0.000 0.881 32 V CB 1.216 33.056 31.823 0.028 0.000 0.982 32 V HN 0.900 nan 8.190 nan 0.000 0.451 33 A N 6.646 129.478 122.820 0.020 0.000 2.587 33 A HA 0.948 5.274 4.320 0.009 0.000 0.293 33 A C -3.146 174.448 177.584 0.017 0.000 1.087 33 A CA -1.781 50.268 52.037 0.020 0.000 0.692 33 A CB 2.076 21.086 19.000 0.018 0.000 1.291 33 A HN 0.594 nan 8.150 nan 0.000 0.407 34 P HA 0.300 nan 4.420 nan 0.000 0.270 34 P C -2.562 174.745 177.300 0.011 0.000 1.223 34 P CA -0.939 62.169 63.100 0.013 0.000 0.785 34 P CB -0.295 31.414 31.700 0.015 0.000 0.923 35 P HA -0.081 nan 4.420 nan 0.000 0.251 35 P C 0.067 177.371 177.300 0.008 0.000 1.154 35 P CA 1.214 64.319 63.100 0.008 0.000 0.805 35 P CB -1.081 30.623 31.700 0.006 0.000 0.759 36 T N -0.765 113.794 114.554 0.008 0.000 3.720 36 T HA -0.273 4.083 4.350 0.009 0.000 0.381 36 T C 1.028 175.733 174.700 0.009 0.000 0.763 36 T CA 1.101 63.205 62.100 0.007 0.000 1.957 36 T CB -2.575 66.297 68.868 0.006 0.000 1.767 36 T HN 0.472 nan 8.240 nan 0.000 0.743 37 T N -0.389 114.171 114.554 0.011 0.000 2.788 37 T HA 0.001 4.357 4.350 0.009 0.000 0.268 37 T C 0.454 175.161 174.700 0.012 0.000 1.044 37 T CA 1.825 63.933 62.100 0.013 0.000 1.139 37 T CB -0.296 68.582 68.868 0.017 0.000 0.867 37 T HN 1.051 nan 8.240 nan 0.000 0.454 38 D N -2.024 118.383 120.400 0.010 0.000 2.087 38 D HA 0.289 4.935 4.640 0.009 0.000 0.161 38 D C 0.787 177.090 176.300 0.006 0.000 1.196 38 D CA 0.433 54.438 54.000 0.008 0.000 0.916 38 D CB -0.246 40.560 40.800 0.010 0.000 2.216 38 D HN 0.071 nan 8.370 nan 0.000 0.512 39 G N 2.380 111.183 108.800 0.005 0.000 2.469 39 G HA2 -0.322 3.644 3.960 0.009 0.000 0.220 39 G HA3 -0.322 3.644 3.960 0.009 0.000 0.220 39 G C 1.210 176.111 174.900 0.002 0.000 1.136 39 G CA 1.115 46.217 45.100 0.003 0.000 0.759 39 G HN 0.476 nan 8.290 nan 0.000 0.562 40 E N -0.121 120.081 120.200 0.002 0.000 2.012 40 E HA -0.079 4.276 4.350 0.009 0.000 0.197 40 E C 2.499 179.100 176.600 0.001 0.000 1.007 40 E CA 0.254 56.655 56.400 0.001 0.000 0.816 40 E CB -0.634 29.067 29.700 0.002 0.000 0.762 40 E HN 0.187 nan 8.360 nan 0.000 0.451 41 L N 0.603 121.828 121.223 0.004 0.000 1.978 41 L HA -0.244 4.102 4.340 0.009 0.000 0.218 41 L C 2.289 179.160 176.870 0.001 0.000 1.075 41 L CA 1.790 56.632 54.840 0.004 0.000 0.767 41 L CB -1.142 40.923 42.059 0.010 0.000 0.890 41 L HN 0.276 nan 8.230 nan 0.000 0.434 42 L N -0.578 120.646 121.223 0.003 0.000 2.042 42 L HA -0.286 4.060 4.340 0.009 0.000 0.210 42 L C 2.171 179.039 176.870 -0.004 0.000 1.076 42 L CA 1.826 56.667 54.840 0.000 0.000 0.749 42 L CB -0.503 41.557 42.059 0.002 0.000 0.893 42 L HN 0.300 nan 8.230 nan 0.000 0.432 43 D N -0.572 119.826 120.400 -0.003 0.000 2.144 43 D HA -0.115 4.531 4.640 0.009 0.000 0.200 43 D C 2.106 178.401 176.300 -0.008 0.000 0.978 43 D CA 1.218 55.215 54.000 -0.005 0.000 0.833 43 D CB -0.124 40.673 40.800 -0.004 0.000 0.961 43 D HN 0.314 nan 8.370 nan 0.000 0.470 44 G N 0.211 109.006 108.800 -0.007 0.000 2.404 44 G HA2 -0.181 3.785 3.960 0.009 0.000 0.215 44 G HA3 -0.181 3.785 3.960 0.009 0.000 0.215 44 G C 1.577 176.468 174.900 -0.014 0.000 1.174 44 G CA 0.212 45.306 45.100 -0.009 0.000 0.780 44 G HN 0.209 nan 8.290 nan 0.000 0.537 45 L N 1.200 122.414 121.223 -0.014 0.000 2.046 45 L HA -0.107 4.239 4.340 0.009 0.000 0.208 45 L C 3.417 180.271 176.870 -0.027 0.000 1.077 45 L CA 1.788 56.614 54.840 -0.023 0.000 0.747 45 L CB -0.951 41.096 42.059 -0.020 0.000 0.896 45 L HN 0.421 nan 8.230 nan 0.000 0.432 46 T N -3.706 110.836 114.554 -0.020 0.000 2.665 46 T HA -0.231 4.125 4.350 0.009 0.000 0.268 46 T C 1.770 176.456 174.700 -0.023 0.000 1.035 46 T CA 1.991 64.079 62.100 -0.021 0.000 1.151 46 T CB -0.952 67.907 68.868 -0.014 0.000 0.862 46 T HN 0.256 nan 8.240 nan 0.000 0.438 47 T N 2.067 116.609 114.554 -0.020 0.000 2.643 47 T HA -0.074 4.281 4.350 0.009 0.000 0.264 47 T C 2.233 176.917 174.700 -0.026 0.000 1.045 47 T CA 1.476 63.564 62.100 -0.020 0.000 1.155 47 T CB -0.806 68.052 68.868 -0.017 0.000 0.863 47 T HN 0.275 nan 8.240 nan 0.000 0.420 48 V N 1.750 121.646 119.914 -0.029 0.000 2.287 48 V HA -0.165 3.961 4.120 0.009 0.000 0.248 48 V C 2.549 178.616 176.094 -0.045 0.000 1.053 48 V CA 1.607 63.886 62.300 -0.036 0.000 1.027 48 V CB -0.866 30.934 31.823 -0.038 0.000 0.646 48 V HN 0.412 nan 8.190 nan 0.000 0.447 49 L N -0.293 120.900 121.223 -0.049 0.000 2.027 49 L HA -0.142 4.203 4.340 0.009 0.000 0.206 49 L C 2.667 179.508 176.870 -0.048 0.000 1.074 49 L CA 1.719 56.523 54.840 -0.059 0.000 0.745 49 L CB -0.686 41.336 42.059 -0.061 0.000 0.898 49 L HN 0.286 nan 8.230 nan 0.000 0.433 50 S N -0.317 115.361 115.700 -0.037 0.000 2.368 50 S HA -0.187 4.288 4.470 0.009 0.000 0.225 50 S C 1.519 176.102 174.600 -0.029 0.000 1.030 50 S CA 1.152 59.334 58.200 -0.030 0.000 0.999 50 S CB -0.283 62.903 63.200 -0.023 0.000 0.844 50 S HN 0.442 nan 8.310 nan 0.000 0.459 51 E N 0.472 120.654 120.200 -0.029 0.000 2.520 51 E HA -0.008 4.348 4.350 0.009 0.000 0.201 51 E C 0.916 177.497 176.600 -0.032 0.000 1.122 51 E CA 0.289 56.672 56.400 -0.027 0.000 0.896 51 E CB 0.020 29.705 29.700 -0.026 0.000 0.891 51 E HN 0.336 nan 8.360 nan 0.000 0.533 52 R N -0.740 119.738 120.500 -0.037 0.000 2.590 52 R HA 0.147 4.493 4.340 0.009 0.000 0.410 52 R C 0.416 176.693 176.300 -0.039 0.000 1.010 52 R CA 0.229 56.303 56.100 -0.042 0.000 1.155 52 R CB 1.321 31.587 30.300 -0.056 0.000 1.455 52 R HN 0.144 nan 8.270 nan 0.000 0.567 53 G N 1.131 109.912 108.800 -0.032 0.000 2.248 53 G HA2 -0.236 3.730 3.960 0.009 0.000 0.263 53 G HA3 -0.236 3.730 3.960 0.009 0.000 0.263 53 G C -0.206 174.676 174.900 -0.030 0.000 1.082 53 G CA 0.148 45.232 45.100 -0.027 0.000 0.863 53 G HN 0.438 nan 8.290 nan 0.000 0.495 54 A N -0.524 122.277 122.820 -0.033 0.000 2.342 54 A HA 0.870 5.196 4.320 0.009 0.000 0.323 54 A C 0.309 177.877 177.584 -0.026 0.000 1.125 54 A CA 0.361 52.378 52.037 -0.034 0.000 0.785 54 A CB 1.828 20.801 19.000 -0.046 0.000 1.221 54 A HN 1.420 nan 8.150 nan 0.000 0.463 55 S N 2.034 117.721 115.700 -0.022 0.000 2.434 55 S HA 0.468 4.944 4.470 0.009 0.000 0.318 55 S C -0.289 174.301 174.600 -0.016 0.000 1.062 55 S CA -0.430 57.760 58.200 -0.016 0.000 1.116 55 S CB -0.481 62.711 63.200 -0.012 0.000 0.977 55 S HN 0.627 nan 8.310 nan 0.000 0.480 56 V N 3.925 123.829 119.914 -0.017 0.000 2.649 56 V HA 0.746 4.872 4.120 0.009 0.000 0.292 56 V C 0.463 176.552 176.094 -0.009 0.000 1.055 56 V CA -0.469 61.822 62.300 -0.015 0.000 1.023 56 V CB 1.073 32.886 31.823 -0.018 0.000 0.992 56 V HN 0.932 nan 8.190 nan 0.000 0.480 57 A N 5.237 128.053 122.820 -0.007 0.000 2.530 57 A HA 0.605 4.931 4.320 0.009 0.000 0.279 57 A C -0.115 177.469 177.584 -0.001 0.000 1.109 57 A CA -0.914 51.121 52.037 -0.003 0.000 0.763 57 A CB 0.826 19.825 19.000 -0.001 0.000 1.257 57 A HN 0.942 nan 8.150 nan 0.000 0.424 58 R N 1.435 121.935 120.500 -0.000 0.000 2.539 58 R HA 0.718 5.063 4.340 0.009 0.000 0.275 58 R C -0.989 175.314 176.300 0.005 0.000 1.077 58 R CA -0.372 55.730 56.100 0.003 0.000 1.097 58 R CB 0.732 31.033 30.300 0.002 0.000 1.018 58 R HN 0.453 nan 8.270 nan 0.000 0.483 59 L N 0.462 121.689 121.223 0.008 0.000 2.388 59 L HA 0.398 4.743 4.340 0.009 0.000 0.264 59 L C -1.096 175.780 176.870 0.010 0.000 0.998 59 L CA -0.615 54.230 54.840 0.009 0.000 0.817 59 L CB 2.422 44.487 42.059 0.011 0.000 1.338 59 L HN 0.860 nan 8.230 nan 0.000 0.414 60 E N 2.413 122.618 120.200 0.009 0.000 2.145 60 E HA 0.608 4.964 4.350 0.009 0.000 0.270 60 E C -1.807 174.798 176.600 0.009 0.000 0.906 60 E CA -0.554 55.851 56.400 0.009 0.000 0.761 60 E CB 1.587 31.291 29.700 0.007 0.000 1.116 60 E HN 0.456 nan 8.360 nan 0.000 0.408 61 V N 7.358 127.278 119.914 0.010 0.000 2.409 61 V HA 0.357 4.482 4.120 0.009 0.000 0.290 61 V C -2.180 173.917 176.094 0.005 0.000 1.017 61 V CA -1.717 60.588 62.300 0.007 0.000 0.841 61 V CB 1.550 33.379 31.823 0.009 0.000 1.003 61 V HN 0.677 nan 8.190 nan 0.000 0.426 62 P HA 0.258 nan 4.420 nan 0.000 0.271 62 P C -0.074 177.224 177.300 -0.003 0.000 1.218 62 P CA -0.093 63.008 63.100 0.001 0.000 0.780 62 P CB 1.164 32.865 31.700 0.001 0.000 0.901 63 I N 1.177 121.746 120.570 -0.003 0.000 2.813 63 I HA 0.130 4.306 4.170 0.009 0.000 0.287 63 I C 1.829 177.938 176.117 -0.013 0.000 1.196 63 I CA 1.359 62.654 61.300 -0.009 0.000 1.421 63 I CB -0.420 37.578 38.000 -0.003 0.000 1.365 63 I HN 0.771 nan 8.210 nan 0.000 0.591 64 G N 3.764 112.549 108.800 -0.024 0.000 2.258 64 G HA2 -0.235 3.731 3.960 0.009 0.000 0.233 64 G HA3 -0.235 3.731 3.960 0.009 0.000 0.233 64 G C 0.476 175.361 174.900 -0.025 0.000 1.006 64 G CA -0.082 45.004 45.100 -0.024 0.000 0.620 64 G HN 1.041 nan 8.290 nan 0.000 0.511 65 A N 0.695 123.502 122.820 -0.022 0.000 2.511 65 A HA 0.637 4.963 4.320 0.009 0.000 0.242 65 A C 0.776 178.343 177.584 -0.028 0.000 1.069 65 A CA 0.830 52.856 52.037 -0.019 0.000 0.763 65 A CB 0.134 19.127 19.000 -0.012 0.000 1.001 65 A HN 0.622 nan 8.150 nan 0.000 0.498 66 R N 0.371 120.858 120.500 -0.023 0.000 2.549 66 R HA 0.305 4.651 4.340 0.009 0.000 0.267 66 R C 1.789 178.077 176.300 -0.019 0.000 1.045 66 R CA -0.171 55.913 56.100 -0.027 0.000 1.115 66 R CB 0.751 31.040 30.300 -0.019 0.000 1.121 66 R HN 0.903 nan 8.270 nan 0.000 0.543 67 R N 1.074 121.562 120.500 -0.020 0.000 2.113 67 R HA -0.238 4.108 4.340 0.009 0.000 0.244 67 R C 1.661 177.962 176.300 0.001 0.000 1.142 67 R CA 1.984 58.079 56.100 -0.008 0.000 0.953 67 R CB -0.899 29.399 30.300 -0.003 0.000 0.860 67 R HN 0.593 nan 8.270 nan 0.000 0.438 68 A N 1.448 124.268 122.820 0.000 0.000 1.908 68 A HA -0.217 4.108 4.320 0.009 0.000 0.218 68 A C 2.032 179.618 177.584 0.003 0.000 1.181 68 A CA 1.833 53.873 52.037 0.004 0.000 0.627 68 A CB -0.402 18.600 19.000 0.003 0.000 0.818 68 A HN 0.615 nan 8.150 nan 0.000 0.445 69 E N -0.425 119.775 120.200 0.000 0.000 2.046 69 E HA -0.090 4.265 4.350 0.009 0.000 0.190 69 E C 1.952 178.553 176.600 0.003 0.000 0.982 69 E CA 1.211 57.612 56.400 0.001 0.000 0.800 69 E CB -0.304 29.395 29.700 -0.002 0.000 0.756 69 E HN 0.391 nan 8.360 nan 0.000 0.449 70 V N 1.660 121.575 119.914 0.002 0.000 2.407 70 V HA -0.274 3.852 4.120 0.009 0.000 0.248 70 V C 2.369 178.470 176.094 0.011 0.000 1.055 70 V CA 1.751 64.054 62.300 0.006 0.000 1.049 70 V CB -0.856 30.970 31.823 0.005 0.000 0.662 70 V HN 0.317 nan 8.190 nan 0.000 0.455 71 A N -0.274 122.553 122.820 0.012 0.000 1.883 71 A HA -0.287 4.039 4.320 0.009 0.000 0.217 71 A C 2.218 179.809 177.584 0.012 0.000 1.186 71 A CA 2.082 54.128 52.037 0.015 0.000 0.624 71 A CB -0.551 18.457 19.000 0.014 0.000 0.822 71 A HN 0.599 nan 8.150 nan 0.000 0.444 72 E N -0.533 119.673 120.200 0.010 0.000 2.160 72 E HA -0.152 4.204 4.350 0.009 0.000 0.195 72 E C 1.881 178.486 176.600 0.009 0.000 0.991 72 E CA 1.104 57.509 56.400 0.008 0.000 0.810 72 E CB -0.220 29.484 29.700 0.007 0.000 0.742 72 E HN 0.659 nan 8.360 nan 0.000 0.466 73 L N 0.121 121.350 121.223 0.009 0.000 2.179 73 L HA -0.107 4.238 4.340 0.009 0.000 0.208 73 L C 2.198 179.075 176.870 0.011 0.000 1.096 73 L CA 0.568 55.413 54.840 0.009 0.000 0.779 73 L CB -0.072 41.992 42.059 0.009 0.000 0.922 73 L HN 0.155 nan 8.230 nan 0.000 0.443 74 L N -0.781 120.450 121.223 0.013 0.000 2.202 74 L HA -0.091 4.255 4.340 0.009 0.000 0.205 74 L C 2.489 179.367 176.870 0.014 0.000 1.083 74 L CA 0.327 55.177 54.840 0.016 0.000 0.790 74 L CB -0.300 41.771 42.059 0.021 0.000 0.942 74 L HN 0.113 nan 8.230 nan 0.000 0.452 75 K N 1.060 121.468 120.400 0.014 0.000 2.066 75 K HA -0.220 4.106 4.320 0.009 0.000 0.221 75 K C -0.604 176.002 176.600 0.011 0.000 1.056 75 K CA 2.348 58.643 56.287 0.013 0.000 0.950 75 K CB -1.252 31.254 32.500 0.011 0.000 0.726 75 K HN 0.180 nan 8.250 nan 0.000 0.456 76 P HA -0.051 nan 4.420 nan 0.000 0.219 76 P C 0.839 178.144 177.300 0.008 0.000 1.150 76 P CA 1.472 64.576 63.100 0.008 0.000 0.814 76 P CB 0.118 31.822 31.700 0.007 0.000 0.787 77 S N -1.046 114.660 115.700 0.009 0.000 2.446 77 S HA 0.074 4.549 4.470 0.009 0.000 0.225 77 S C 1.929 176.535 174.600 0.010 0.000 1.016 77 S CA 0.741 58.946 58.200 0.009 0.000 0.943 77 S CB -0.441 62.765 63.200 0.009 0.000 0.786 77 S HN 0.034 nan 8.310 nan 0.000 0.508 78 M N 1.205 120.812 119.600 0.012 0.000 2.193 78 M HA 0.102 4.588 4.480 0.009 0.000 0.265 78 M C 1.595 177.902 176.300 0.012 0.000 1.071 78 M CA 1.218 56.526 55.300 0.014 0.000 1.140 78 M CB -1.290 31.320 32.600 0.017 0.000 1.369 78 M HN 0.259 nan 8.290 nan 0.000 0.423 79 E N -0.256 119.951 120.200 0.011 0.000 2.482 79 E HA -0.047 4.309 4.350 0.009 0.000 0.196 79 E C 1.780 178.385 176.600 0.008 0.000 1.047 79 E CA 0.364 56.770 56.400 0.010 0.000 0.869 79 E CB -0.020 29.686 29.700 0.009 0.000 0.836 79 E HN 0.275 nan 8.360 nan 0.000 0.520 80 S N -0.094 115.610 115.700 0.007 0.000 2.561 80 S HA 0.042 4.518 4.470 0.009 0.000 0.225 80 S C 1.679 176.282 174.600 0.005 0.000 0.977 80 S CA 0.712 58.915 58.200 0.006 0.000 0.926 80 S CB 0.145 63.348 63.200 0.005 0.000 0.769 80 S HN 0.320 nan 8.310 nan 0.000 0.533 81 A N -0.044 122.780 122.820 0.006 0.000 2.197 81 A HA 0.595 4.921 4.320 0.009 0.000 0.210 81 A C 1.632 179.219 177.584 0.006 0.000 1.180 81 A CA 0.830 52.870 52.037 0.006 0.000 0.846 81 A CB -0.996 18.008 19.000 0.007 0.000 0.884 81 A HN 0.987 nan 8.150 nan 0.000 0.487 82 G N 0.284 109.088 108.800 0.007 0.000 2.629 82 G HA2 -0.386 3.580 3.960 0.009 0.000 0.313 82 G HA3 -0.386 3.580 3.960 0.009 0.000 0.313 82 G C 0.835 175.740 174.900 0.008 0.000 1.217 82 G CA 0.609 45.713 45.100 0.007 0.000 0.994 82 G HN 0.304 nan 8.290 nan 0.000 0.549 83 E N 1.959 122.163 120.200 0.007 0.000 2.208 83 E HA 0.042 4.398 4.350 0.009 0.000 0.193 83 E C 1.461 178.066 176.600 0.008 0.000 0.988 83 E CA 0.736 57.141 56.400 0.007 0.000 0.828 83 E CB -0.176 29.528 29.700 0.006 0.000 0.763 83 E HN 0.712 nan 8.360 nan 0.000 0.478 84 E N 1.430 121.634 120.200 0.007 0.000 2.436 84 E HA -0.031 4.325 4.350 0.009 0.000 0.262 84 E C 0.213 176.818 176.600 0.009 0.000 1.063 84 E CA -0.078 56.326 56.400 0.006 0.000 0.944 84 E CB 0.297 30.000 29.700 0.004 0.000 0.950 84 E HN -0.039 nan 8.360 nan 0.000 0.444 85 N N 0.454 119.159 118.700 0.010 0.000 2.499 85 N HA 0.066 4.811 4.740 0.009 0.000 0.281 85 N C -1.496 174.021 175.510 0.013 0.000 1.098 85 N CA -0.036 53.023 53.050 0.014 0.000 0.979 85 N CB 0.976 39.472 38.487 0.017 0.000 1.121 85 N HN 0.150 nan 8.380 nan 0.000 0.466 86 T N 2.553 117.117 114.554 0.017 0.000 2.788 86 T HA 0.242 4.598 4.350 0.009 0.000 0.296 86 T C -0.586 174.128 174.700 0.025 0.000 1.009 86 T CA -0.535 61.575 62.100 0.016 0.000 0.949 86 T CB 0.655 69.533 68.868 0.016 0.000 0.946 86 T HN 0.418 nan 8.240 nan 0.000 0.453 87 T N 3.775 118.343 114.554 0.023 0.000 2.739 87 T HA 0.288 4.644 4.350 0.009 0.000 0.298 87 T C 0.494 175.218 174.700 0.039 0.000 0.929 87 T CA -0.425 61.701 62.100 0.043 0.000 1.014 87 T CB 0.128 69.005 68.868 0.015 0.000 0.914 87 T HN 0.348 nan 8.240 nan 0.000 0.509 88 V N 5.182 125.129 119.914 0.054 0.000 2.408 88 V HA 0.207 4.332 4.120 0.009 0.000 0.267 88 V C 0.333 176.464 176.094 0.062 0.000 1.047 88 V CA -0.617 61.709 62.300 0.043 0.000 0.937 88 V CB 0.877 32.721 31.823 0.034 0.000 0.999 88 V HN 0.612 nan 8.190 nan 0.000 0.472 89 V N 4.585 124.524 119.914 0.042 0.000 2.311 89 V HA 0.305 4.431 4.120 0.009 0.000 0.275 89 V C 0.469 176.590 176.094 0.044 0.000 1.022 89 V CA -0.095 62.233 62.300 0.047 0.000 0.830 89 V CB 1.389 33.212 31.823 0.001 0.000 1.012 89 V HN 0.871 nan 8.190 nan 0.000 0.452 90 S N 5.010 120.745 115.700 0.059 0.000 2.475 90 S HA 0.524 5.000 4.470 0.009 0.000 0.281 90 S C 0.536 175.175 174.600 0.065 0.000 1.198 90 S CA -0.568 57.668 58.200 0.060 0.000 1.063 90 S CB 0.690 63.935 63.200 0.074 0.000 0.972 90 S HN 0.649 nan 8.310 nan 0.000 0.486 91 L N 5.608 126.863 121.223 0.053 0.000 2.728 91 L HA 0.248 4.594 4.340 0.009 0.000 0.238 91 L C 1.487 178.390 176.870 0.055 0.000 1.143 91 L CA 0.034 54.907 54.840 0.054 0.000 0.937 91 L CB -0.129 41.953 42.059 0.039 0.000 1.225 91 L HN 0.664 nan 8.230 nan 0.000 0.507 92 L N 0.124 121.380 121.223 0.055 0.000 2.127 92 L HA -0.119 4.227 4.340 0.009 0.000 0.211 92 L C 2.430 179.335 176.870 0.058 0.000 1.089 92 L CA 1.418 56.286 54.840 0.047 0.000 0.757 92 L CB -0.774 41.307 42.059 0.038 0.000 0.899 92 L HN 0.387 nan 8.230 nan 0.000 0.434 93 G N -0.318 108.532 108.800 0.084 0.000 2.679 93 G HA2 -0.073 3.893 3.960 0.009 0.000 0.212 93 G HA3 -0.073 3.893 3.960 0.009 0.000 0.212 93 G C 1.491 176.453 174.900 0.104 0.000 1.137 93 G CA -0.008 45.157 45.100 0.108 0.000 0.787 93 G HN 0.277 nan 8.290 nan 0.000 0.534 94 L N 0.538 121.811 121.223 0.083 0.000 2.552 94 L HA 0.114 4.460 4.340 0.009 0.000 0.227 94 L C 0.396 177.300 176.870 0.056 0.000 1.146 94 L CA -0.124 54.759 54.840 0.072 0.000 0.858 94 L CB 0.129 42.223 42.059 0.058 0.000 0.969 94 L HN -0.055 nan 8.230 nan 0.000 0.451 95 V N 1.437 121.382 119.914 0.052 0.000 2.368 95 V HA 0.173 4.299 4.120 0.009 0.000 0.266 95 V C -2.032 174.090 176.094 0.045 0.000 1.045 95 V CA -1.278 61.046 62.300 0.041 0.000 0.899 95 V CB 0.889 32.731 31.823 0.031 0.000 1.006 95 V HN 0.001 nan 8.190 nan 0.000 0.470 96 P HA 0.142 nan 4.420 nan 0.000 0.252 96 P C -0.319 177.005 177.300 0.040 0.000 1.694 96 P CA 0.446 63.572 63.100 0.044 0.000 1.163 96 P CB -0.057 31.664 31.700 0.035 0.000 1.934 97 S N -0.589 115.137 115.700 0.044 0.000 2.552 97 S HA 0.279 4.755 4.470 0.009 0.000 0.272 97 S C 0.799 175.426 174.600 0.044 0.000 1.150 97 S CA -0.579 57.645 58.200 0.040 0.000 0.849 97 S CB 0.853 64.070 63.200 0.028 0.000 1.113 97 S HN 0.016 nan 8.310 nan 0.000 0.458 98 T N 1.371 115.958 114.554 0.054 0.000 2.915 98 T HA -0.036 4.320 4.350 0.009 0.000 0.269 98 T C 0.940 175.645 174.700 0.008 0.000 1.071 98 T CA 1.819 63.961 62.100 0.070 0.000 1.132 98 T CB -0.630 68.310 68.868 0.121 0.000 0.878 98 T HN 0.705 nan 8.240 nan 0.000 0.479 99 D N 1.303 121.704 120.400 0.001 0.000 2.149 99 D HA -0.014 4.631 4.640 0.009 0.000 0.198 99 D C 2.229 178.496 176.300 -0.055 0.000 0.990 99 D CA 1.076 55.057 54.000 -0.032 0.000 0.839 99 D CB -0.306 40.487 40.800 -0.011 0.000 0.948 99 D HN 0.396 nan 8.370 nan 0.000 0.460 100 A N -0.015 122.790 122.820 -0.025 0.000 1.902 100 A HA -0.141 4.185 4.320 0.009 0.000 0.217 100 A C 2.416 179.967 177.584 -0.055 0.000 1.181 100 A CA 1.298 53.323 52.037 -0.020 0.000 0.623 100 A CB -0.704 18.306 19.000 0.017 0.000 0.818 100 A HN 0.157 nan 8.150 nan 0.000 0.443 101 V N 0.160 120.033 119.914 -0.069 0.000 2.343 101 V HA -0.280 3.846 4.120 0.009 0.000 0.247 101 V C 2.610 178.495 176.094 -0.349 0.000 1.051 101 V CA 2.212 64.426 62.300 -0.142 0.000 1.036 101 V CB -0.915 30.869 31.823 -0.065 0.000 0.654 101 V HN 0.521 nan 8.190 nan 0.000 0.451 102 R N 0.129 120.401 120.500 -0.380 0.000 2.073 102 R HA -0.136 4.210 4.340 0.009 0.000 0.234 102 R C 2.377 178.495 176.300 -0.304 0.000 1.134 102 R CA 1.977 57.792 56.100 -0.475 0.000 0.952 102 R CB -0.863 29.230 30.300 -0.345 0.000 0.850 102 R HN 0.515 nan 8.270 nan 0.000 0.433 103 T N 0.415 114.860 114.554 -0.182 0.000 2.915 103 T HA -0.058 4.298 4.350 0.009 0.000 0.269 103 T C 1.960 176.602 174.700 -0.097 0.000 1.071 103 T CA 1.264 63.297 62.100 -0.112 0.000 1.132 103 T CB -0.039 68.793 68.868 -0.061 0.000 0.878 103 T HN 0.175 nan 8.240 nan 0.000 0.479 104 S N 1.074 116.706 115.700 -0.113 0.000 2.371 104 S HA 0.094 4.570 4.470 0.009 0.000 0.224 104 S C 2.023 176.565 174.600 -0.097 0.000 1.029 104 S CA 0.628 58.796 58.200 -0.053 0.000 0.978 104 S CB -0.312 62.879 63.200 -0.016 0.000 0.833 104 S HN 0.418 nan 8.310 nan 0.000 0.466 105 I N 1.758 122.133 120.570 -0.324 0.000 2.226 105 I HA -0.224 3.952 4.170 0.009 0.000 0.245 105 I C 2.680 178.704 176.117 -0.154 0.000 1.100 105 I CA 1.081 62.107 61.300 -0.456 0.000 1.374 105 I CB -0.467 37.030 38.000 -0.838 0.000 1.057 105 I HN 0.263 nan 8.210 nan 0.000 0.413 106 A N 0.719 123.452 122.820 -0.146 0.000 1.940 106 A HA -0.240 4.086 4.320 0.009 0.000 0.219 106 A C 2.254 179.834 177.584 -0.007 0.000 1.176 106 A CA 1.692 53.689 52.037 -0.067 0.000 0.631 106 A CB -0.783 18.173 19.000 -0.074 0.000 0.814 106 A HN 0.422 nan 8.150 nan 0.000 0.446 107 L N -0.832 120.397 121.223 0.008 0.000 2.017 107 L HA -0.110 4.236 4.340 0.009 0.000 0.208 107 L C 2.205 179.129 176.870 0.090 0.000 1.073 107 L CA 2.112 56.981 54.840 0.048 0.000 0.745 107 L CB -0.610 41.485 42.059 0.060 0.000 0.894 107 L HN 0.320 nan 8.230 nan 0.000 0.432 108 L N -0.240 121.068 121.223 0.142 0.000 2.017 108 L HA -0.224 4.121 4.340 0.009 0.000 0.208 108 L C 2.524 179.479 176.870 0.141 0.000 1.073 108 L CA 1.887 56.849 54.840 0.204 0.000 0.745 108 L CB -0.919 41.340 42.059 0.334 0.000 0.894 108 L HN 0.472 nan 8.230 nan 0.000 0.432 109 Q N -0.689 119.178 119.800 0.110 0.000 2.135 109 Q HA -0.202 4.144 4.340 0.009 0.000 0.204 109 Q C 2.201 178.235 176.000 0.057 0.000 0.981 109 Q CA 1.726 57.576 55.803 0.078 0.000 0.856 109 Q CB -0.400 28.369 28.738 0.051 0.000 0.902 109 Q HN 0.699 nan 8.270 nan 0.000 0.425 110 A N 0.235 123.084 122.820 0.050 0.000 1.929 110 A HA -0.098 4.227 4.320 0.009 0.000 0.216 110 A C 2.314 179.924 177.584 0.044 0.000 1.176 110 A CA 1.054 53.114 52.037 0.038 0.000 0.628 110 A CB -0.494 18.523 19.000 0.030 0.000 0.816 110 A HN 0.205 nan 8.150 nan 0.000 0.444 111 V N -0.411 119.537 119.914 0.057 0.000 2.407 111 V HA -0.195 3.930 4.120 0.009 0.000 0.248 111 V C 2.790 178.916 176.094 0.052 0.000 1.055 111 V CA 2.254 64.587 62.300 0.056 0.000 1.049 111 V CB -0.630 31.235 31.823 0.070 0.000 0.662 111 V HN 0.650 nan 8.190 nan 0.000 0.455 112 S N -0.422 115.314 115.700 0.060 0.000 2.368 112 S HA -0.204 4.272 4.470 0.009 0.000 0.224 112 S C 1.775 176.398 174.600 0.039 0.000 1.029 112 S CA 1.610 59.842 58.200 0.052 0.000 0.988 112 S CB -0.387 62.848 63.200 0.059 0.000 0.838 112 S HN 0.653 nan 8.310 nan 0.000 0.462 113 D N 1.501 121.923 120.400 0.037 0.000 2.097 113 D HA -0.071 4.575 4.640 0.009 0.000 0.195 113 D C 1.869 178.184 176.300 0.024 0.000 0.989 113 D CA 1.246 55.264 54.000 0.028 0.000 0.827 113 D CB -0.493 40.323 40.800 0.026 0.000 0.966 113 D HN 0.465 nan 8.370 nan 0.000 0.456 114 I N 0.833 121.419 120.570 0.025 0.000 2.657 114 I HA -0.157 4.019 4.170 0.009 0.000 0.261 114 I C 1.394 177.523 176.117 0.021 0.000 1.212 114 I CA 0.820 62.133 61.300 0.022 0.000 1.453 114 I CB -0.681 37.332 38.000 0.022 0.000 1.092 114 I HN 0.055 nan 8.210 nan 0.000 0.452 115 G N 1.953 110.767 108.800 0.023 0.000 2.356 115 G HA2 -0.266 3.699 3.960 0.009 0.000 0.296 115 G HA3 -0.266 3.699 3.960 0.009 0.000 0.296 115 G C 0.252 175.163 174.900 0.019 0.000 1.022 115 G CA 0.558 45.670 45.100 0.021 0.000 0.961 115 G HN 0.341 nan 8.290 nan 0.000 0.510 116 V N 2.011 121.938 119.914 0.021 0.000 2.405 116 V HA 0.506 4.632 4.120 0.009 0.000 0.264 116 V C -0.948 175.157 176.094 0.019 0.000 1.048 116 V CA -1.900 60.411 62.300 0.019 0.000 0.966 116 V CB 0.787 32.622 31.823 0.019 0.000 1.015 116 V HN 0.339 nan 8.190 nan 0.000 0.477 117 P HA 0.228 nan 4.420 nan 0.000 0.264 117 P C -0.176 177.134 177.300 0.016 0.000 1.193 117 P CA 0.933 64.043 63.100 0.016 0.000 0.763 117 P CB 0.720 32.428 31.700 0.013 0.000 0.810 118 A N 1.364 124.195 122.820 0.018 0.000 1.740 118 A HA 0.298 4.623 4.320 0.009 0.000 0.325 118 A C -0.099 177.498 177.584 0.021 0.000 1.042 118 A CA 0.178 52.226 52.037 0.019 0.000 0.567 118 A CB -1.947 17.062 19.000 0.016 0.000 1.864 118 A HN 1.109 nan 8.150 nan 0.000 0.275 119 A N 3.427 126.261 122.820 0.024 0.000 2.582 119 A HA 0.838 5.163 4.320 0.009 0.000 0.297 119 A C -0.645 176.952 177.584 0.021 0.000 1.059 119 A CA -0.679 51.374 52.037 0.026 0.000 0.705 119 A CB 1.207 20.223 19.000 0.027 0.000 1.279 119 A HN 1.311 nan 8.150 nan 0.000 0.404 120 R N 1.156 121.673 120.500 0.029 0.000 2.476 120 R HA 0.555 4.900 4.340 0.009 0.000 0.305 120 R C -1.330 174.951 176.300 -0.031 0.000 0.965 120 R CA -0.587 55.513 56.100 0.000 0.000 0.867 120 R CB 1.724 32.101 30.300 0.129 0.000 1.176 120 R HN 0.519 nan 8.270 nan 0.000 0.447 121 V N 3.733 123.492 119.914 -0.259 0.000 2.370 121 V HA 0.385 4.510 4.120 0.009 0.000 0.279 121 V C -0.687 174.925 176.094 -0.804 0.000 1.029 121 V CA -0.700 61.400 62.300 -0.332 0.000 0.870 121 V CB 1.027 32.731 31.823 -0.198 0.000 0.984 121 V HN 0.579 nan 8.190 nan 0.000 0.451 122 W N 3.009 124.029 121.300 -0.467 0.000 2.532 122 W HA 0.739 5.403 4.660 0.007 0.000 0.321 122 W C 0.009 176.353 176.519 -0.292 0.000 1.037 122 W CA -0.463 56.596 57.345 -0.475 0.000 1.220 122 W CB 1.918 31.205 29.460 -0.288 0.000 1.361 122 W HN 0.608 nan 8.180 nan 0.000 0.468 123 A N 5.079 127.847 122.820 -0.086 0.000 2.258 123 A HA 0.745 5.071 4.320 0.009 0.000 0.316 123 A C -0.904 176.744 177.584 0.108 0.000 1.279 123 A CA -0.594 51.486 52.037 0.072 0.000 0.876 123 A CB 0.317 19.434 19.000 0.196 0.000 1.170 123 A HN 0.694 nan 8.150 nan 0.000 0.520 124 L N 2.629 123.929 121.223 0.129 0.000 2.334 124 L HA 0.673 5.019 4.340 0.009 0.000 0.277 124 L C 0.833 177.811 176.870 0.179 0.000 1.075 124 L CA -0.305 54.625 54.840 0.150 0.000 0.804 124 L CB 1.752 43.877 42.059 0.110 0.000 1.174 124 L HN 0.929 nan 8.230 nan 0.000 0.438 125 T N 0.088 114.787 114.554 0.243 0.000 2.778 125 T HA 0.773 5.129 4.350 0.009 0.000 0.293 125 T C -0.915 173.908 174.700 0.206 0.000 1.144 125 T CA -1.119 61.139 62.100 0.263 0.000 1.010 125 T CB 2.220 71.355 68.868 0.444 0.000 1.325 125 T HN 0.730 nan 8.240 nan 0.000 0.515 126 R N -0.044 120.548 120.500 0.154 0.000 2.522 126 R HA 0.755 5.101 4.340 0.009 0.000 0.283 126 R C -0.219 176.106 176.300 0.041 0.000 1.074 126 R CA -1.050 55.100 56.100 0.082 0.000 0.925 126 R CB 0.972 31.307 30.300 0.058 0.000 1.205 126 R HN 0.789 nan 8.270 nan 0.000 0.436 127 R N 0.984 121.477 120.500 -0.012 0.000 3.875 127 R HA -0.270 4.075 4.340 0.009 0.000 0.321 127 R C 0.784 177.045 176.300 -0.065 0.000 1.196 127 R CA 0.912 56.981 56.100 -0.052 0.000 0.868 127 R CB -1.537 28.745 30.300 -0.029 0.000 1.333 127 R HN 0.900 nan 8.270 nan 0.000 0.522 128 A N 0.269 123.046 122.820 -0.072 0.000 1.930 128 A HA 0.063 4.389 4.320 0.009 0.000 0.217 128 A C 0.998 178.415 177.584 -0.279 0.000 1.175 128 A CA 1.466 53.426 52.037 -0.127 0.000 0.627 128 A CB 0.261 19.202 19.000 -0.098 0.000 0.815 128 A HN 0.344 nan 8.150 nan 0.000 0.443 129 V N -4.969 114.731 119.914 -0.357 0.000 2.789 129 V HA 0.816 4.942 4.120 0.009 0.000 0.311 129 V C -0.283 175.668 176.094 -0.239 0.000 1.073 129 V CA -0.898 61.233 62.300 -0.282 0.000 0.921 129 V CB 1.187 32.818 31.823 -0.320 0.000 1.009 129 V HN 0.681 nan 8.190 nan 0.000 0.426 130 A N 3.245 125.999 122.820 -0.111 0.000 2.316 130 A HA 0.674 5.000 4.320 0.009 0.000 0.311 130 A C 0.509 178.001 177.584 -0.153 0.000 1.339 130 A CA -0.181 51.779 52.037 -0.130 0.000 0.960 130 A CB 0.746 19.712 19.000 -0.058 0.000 1.152 130 A HN 1.249 nan 8.150 nan 0.000 0.547 131 V N 3.135 122.787 119.914 -0.437 0.000 3.085 131 V HA 0.032 4.158 4.120 0.009 0.000 0.245 131 V C 0.904 176.763 176.094 -0.392 0.000 1.114 131 V CA 1.313 63.204 62.300 -0.682 0.000 1.108 131 V CB 0.031 31.071 31.823 -1.306 0.000 0.798 131 V HN 0.815 nan 8.190 nan 0.000 0.471 132 V N -2.520 117.205 119.914 -0.314 0.000 2.815 132 V HA 0.673 4.799 4.120 0.009 0.000 0.314 132 V C -2.891 173.135 176.094 -0.114 0.000 1.064 132 V CA -2.912 59.269 62.300 -0.198 0.000 0.952 132 V CB 1.112 32.819 31.823 -0.194 0.000 1.020 132 V HN 0.098 nan 8.190 nan 0.000 0.439 133 P HA 0.380 nan 4.420 nan 0.000 0.262 133 P C 0.950 178.221 177.300 -0.048 0.000 1.182 133 P CA 1.807 64.880 63.100 -0.045 0.000 0.761 133 P CB 0.737 32.420 31.700 -0.028 0.000 0.795 134 G N 2.175 110.950 108.800 -0.042 0.000 2.475 134 G HA2 -0.184 3.781 3.960 0.009 0.000 0.209 134 G HA3 -0.184 3.781 3.960 0.009 0.000 0.209 134 G C 0.094 174.966 174.900 -0.047 0.000 1.127 134 G CA 0.060 45.136 45.100 -0.039 0.000 0.681 134 G HN 0.708 nan 8.290 nan 0.000 0.517 135 E N 1.607 121.768 120.200 -0.064 0.000 2.366 135 E HA 0.525 4.881 4.350 0.009 0.000 0.266 135 E C 0.115 176.674 176.600 -0.068 0.000 1.051 135 E CA 0.317 56.673 56.400 -0.073 0.000 0.884 135 E CB 0.957 30.596 29.700 -0.103 0.000 1.006 135 E HN 0.604 nan 8.360 nan 0.000 0.417 136 T N -0.581 113.937 114.554 -0.060 0.000 2.916 136 T HA 0.505 4.861 4.350 0.009 0.000 0.292 136 T C -2.660 172.004 174.700 -0.060 0.000 1.055 136 T CA -2.403 59.665 62.100 -0.053 0.000 1.009 136 T CB 1.697 70.539 68.868 -0.042 0.000 1.118 136 T HN 0.394 nan 8.240 nan 0.000 0.497 137 P HA 0.297 nan 4.420 nan 0.000 0.282 137 P C -0.914 176.362 177.300 -0.039 0.000 1.274 137 P CA -0.297 62.768 63.100 -0.059 0.000 0.770 137 P CB 1.044 32.712 31.700 -0.054 0.000 0.867 138 Q N 2.003 121.787 119.800 -0.027 0.000 2.230 138 Q HA 0.111 4.457 4.340 0.009 0.000 0.248 138 Q C 0.975 176.983 176.000 0.013 0.000 0.915 138 Q CA 0.072 55.871 55.803 -0.007 0.000 0.900 138 Q CB 0.794 29.535 28.738 0.003 0.000 1.229 138 Q HN 0.395 nan 8.270 nan 0.000 0.439 139 D N 2.352 122.761 120.400 0.015 0.000 2.156 139 D HA -0.302 4.344 4.640 0.009 0.000 0.190 139 D C 1.361 177.705 176.300 0.073 0.000 0.998 139 D CA 2.578 56.600 54.000 0.036 0.000 0.842 139 D CB 0.006 40.824 40.800 0.029 0.000 0.974 139 D HN 0.705 nan 8.370 nan 0.000 0.447 140 A N -0.129 122.737 122.820 0.076 0.000 1.896 140 A HA -0.195 4.131 4.320 0.009 0.000 0.220 140 A C 2.428 180.096 177.584 0.139 0.000 1.206 140 A CA 2.847 54.944 52.037 0.100 0.000 0.647 140 A CB -1.683 17.365 19.000 0.080 0.000 0.828 140 A HN 0.450 nan 8.150 nan 0.000 0.455 141 G N -1.229 107.654 108.800 0.138 0.000 2.408 141 G HA2 0.057 4.022 3.960 0.009 0.000 0.217 141 G HA3 0.057 4.022 3.960 0.009 0.000 0.217 141 G C 1.734 176.795 174.900 0.268 0.000 1.150 141 G CA 1.426 46.654 45.100 0.214 0.000 0.776 141 G HN 0.935 nan 8.290 nan 0.000 0.542 142 A N 0.331 123.239 122.820 0.147 0.000 1.933 142 A HA -0.079 4.247 4.320 0.009 0.000 0.218 142 A C 2.311 180.031 177.584 0.228 0.000 1.175 142 A CA 1.864 53.983 52.037 0.135 0.000 0.628 142 A CB -0.392 18.643 19.000 0.057 0.000 0.814 142 A HN 0.449 nan 8.150 nan 0.000 0.444 143 Q N -0.705 119.221 119.800 0.209 0.000 2.050 143 Q HA -0.107 4.238 4.340 0.009 0.000 0.202 143 Q C 2.138 178.318 176.000 0.299 0.000 0.980 143 Q CA 1.335 57.276 55.803 0.230 0.000 0.840 143 Q CB -0.282 28.587 28.738 0.219 0.000 0.898 143 Q HN 0.677 nan 8.270 nan 0.000 0.424 144 L N -0.802 120.610 121.223 0.316 0.000 2.046 144 L HA -0.205 4.141 4.340 0.009 0.000 0.208 144 L C 1.994 179.077 176.870 0.355 0.000 1.077 144 L CA 1.215 56.251 54.840 0.326 0.000 0.747 144 L CB -0.248 41.987 42.059 0.293 0.000 0.896 144 L HN 0.404 nan 8.230 nan 0.000 0.432 145 W N -0.223 121.192 121.300 0.192 0.000 2.363 145 W HA -0.086 4.587 4.660 0.022 0.000 0.296 145 W C 2.475 179.069 176.519 0.126 0.000 1.212 145 W CA 1.360 58.811 57.345 0.177 0.000 1.260 145 W CB -1.026 28.542 29.460 0.179 0.000 1.131 145 W HN 0.138 nan 8.180 nan 0.000 0.530 146 G N -0.336 108.675 108.800 0.352 0.000 2.459 146 G HA2 -0.343 3.623 3.960 0.009 0.000 0.217 146 G HA3 -0.343 3.623 3.960 0.009 0.000 0.217 146 G C 1.423 176.416 174.900 0.155 0.000 1.183 146 G CA 1.059 46.294 45.100 0.224 0.000 0.776 146 G HN 0.252 nan 8.290 nan 0.000 0.552 147 F N 2.462 122.443 119.950 0.051 0.000 2.186 147 F HA 0.084 4.616 4.527 0.008 0.000 0.299 147 F C 2.545 178.199 175.800 -0.244 0.000 1.090 147 F CA 1.392 59.369 58.000 -0.039 0.000 1.307 147 F CB -0.461 38.541 39.000 0.003 0.000 1.019 147 F HN 0.115 nan 8.300 nan 0.000 0.489 148 G N 0.554 109.184 108.800 -0.285 0.000 2.469 148 G HA2 -0.289 3.677 3.960 0.009 0.000 0.219 148 G HA3 -0.289 3.677 3.960 0.009 0.000 0.219 148 G C 1.817 176.217 174.900 -0.834 0.000 1.150 148 G CA 0.860 45.523 45.100 -0.729 0.000 0.763 148 G HN 0.363 nan 8.290 nan 0.000 0.561 149 R N -0.327 119.951 120.500 -0.369 0.000 2.148 149 R HA 0.031 4.376 4.340 0.009 0.000 0.227 149 R C 2.537 178.656 176.300 -0.301 0.000 1.103 149 R CA 0.848 56.810 56.100 -0.229 0.000 0.983 149 R CB -0.305 29.989 30.300 -0.009 0.000 0.874 149 R HN 0.335 nan 8.270 nan 0.000 0.451 150 V N 0.804 120.471 119.914 -0.412 0.000 2.488 150 V HA -0.144 3.982 4.120 0.009 0.000 0.246 150 V C 2.406 178.177 176.094 -0.539 0.000 1.046 150 V CA 1.754 63.827 62.300 -0.379 0.000 1.053 150 V CB -0.453 31.157 31.823 -0.356 0.000 0.679 150 V HN 0.352 nan 8.190 nan 0.000 0.458 151 A N 0.268 122.524 122.820 -0.940 0.000 1.933 151 A HA -0.134 4.191 4.320 0.009 0.000 0.218 151 A C 2.439 179.669 177.584 -0.590 0.000 1.175 151 A CA 2.025 53.508 52.037 -0.923 0.000 0.628 151 A CB -0.754 17.326 19.000 -1.534 0.000 0.814 151 A HN 0.557 nan 8.150 nan 0.000 0.444 152 A N -0.306 122.129 122.820 -0.642 0.000 1.908 152 A HA -0.081 4.245 4.320 0.009 0.000 0.218 152 A C 2.132 179.660 177.584 -0.094 0.000 1.181 152 A CA 1.673 53.602 52.037 -0.180 0.000 0.627 152 A CB -0.556 18.404 19.000 -0.067 0.000 0.818 152 A HN 0.492 nan 8.150 nan 0.000 0.445 153 L N -1.467 119.675 121.223 -0.136 0.000 2.209 153 L HA -0.041 4.305 4.340 0.009 0.000 0.207 153 L C 2.479 179.300 176.870 -0.081 0.000 1.094 153 L CA 1.056 55.847 54.840 -0.082 0.000 0.790 153 L CB -0.330 41.689 42.059 -0.067 0.000 0.932 153 L HN 0.405 nan 8.230 nan 0.000 0.447 154 E N 0.083 120.212 120.200 -0.119 0.000 2.122 154 E HA 0.058 4.413 4.350 0.009 0.000 0.190 154 E C 0.521 177.089 176.600 -0.053 0.000 0.977 154 E CA 0.603 56.951 56.400 -0.088 0.000 0.820 154 E CB 0.385 30.016 29.700 -0.115 0.000 0.770 154 E HN 0.361 nan 8.360 nan 0.000 0.462 155 L N 0.770 121.962 121.223 -0.051 0.000 2.594 155 L HA 0.251 4.597 4.340 0.009 0.000 0.245 155 L C -2.222 174.675 176.870 0.044 0.000 1.460 155 L CA -1.252 53.592 54.840 0.007 0.000 0.865 155 L CB 1.174 43.253 42.059 0.033 0.000 1.131 155 L HN -0.121 nan 8.230 nan 0.000 0.506 156 P HA -0.158 nan 4.420 nan 0.000 0.216 156 P C 0.729 178.053 177.300 0.041 0.000 1.150 156 P CA 1.309 64.431 63.100 0.037 0.000 0.843 156 P CB 0.274 31.981 31.700 0.013 0.000 0.787 157 D N -1.668 118.752 120.400 0.033 0.000 2.347 157 D HA 0.051 4.697 4.640 0.009 0.000 0.213 157 D C 1.791 178.110 176.300 0.032 0.000 0.985 157 D CA 0.717 54.733 54.000 0.028 0.000 0.879 157 D CB 0.078 40.891 40.800 0.022 0.000 0.919 157 D HN 0.287 nan 8.370 nan 0.000 0.526 158 I N -1.056 119.545 120.570 0.053 0.000 3.300 158 I HA 0.038 4.214 4.170 0.009 0.000 0.279 158 I C 0.990 177.139 176.117 0.052 0.000 1.172 158 I CA -0.196 61.139 61.300 0.059 0.000 1.431 158 I CB 0.651 38.702 38.000 0.086 0.000 1.240 158 I HN 0.012 nan 8.210 nan 0.000 0.453 159 W N 3.231 124.459 121.300 -0.120 0.000 2.308 159 W HA 0.127 4.791 4.660 0.007 0.000 0.324 159 W C 0.781 177.108 176.519 -0.319 0.000 1.387 159 W CA 0.316 57.536 57.345 -0.209 0.000 1.250 159 W CB 0.906 30.235 29.460 -0.218 0.000 1.257 159 W HN 0.079 nan 8.180 nan 0.000 0.554 160 G N 3.612 111.597 108.800 -1.358 0.000 2.664 160 G HA2 0.414 4.380 3.960 0.009 0.000 0.216 160 G HA3 0.414 4.380 3.960 0.009 0.000 0.216 160 G C 0.157 173.751 174.900 -2.178 0.000 1.243 160 G CA 0.742 44.904 45.100 -1.562 0.000 0.859 160 G HN 0.771 nan 8.290 nan 0.000 0.574 161 G N -1.638 105.430 108.800 -2.887 0.000 2.342 161 G HA2 0.457 4.423 3.960 0.009 0.000 0.297 161 G HA3 0.457 4.423 3.960 0.009 0.000 0.297 161 G C -2.096 172.274 174.900 -0.885 0.000 1.313 161 G CA -0.889 43.156 45.100 -1.759 0.000 0.830 161 G HN 0.403 nan 8.290 nan 0.000 0.506 162 L N 0.191 121.194 121.223 -0.367 0.000 2.346 162 L HA 0.729 5.075 4.340 0.009 0.000 0.276 162 L C -0.516 176.304 176.870 -0.083 0.000 1.006 162 L CA -0.677 53.939 54.840 -0.373 0.000 0.817 162 L CB 2.020 43.375 42.059 -1.174 0.000 1.272 162 L HN 0.393 nan 8.230 nan 0.000 0.421 163 I N 1.766 122.421 120.570 0.141 0.000 2.478 163 I HA 0.245 4.421 4.170 0.009 0.000 0.287 163 I C -1.123 175.226 176.117 0.386 0.000 1.042 163 I CA -0.451 61.033 61.300 0.308 0.000 1.067 163 I CB 2.231 40.368 38.000 0.228 0.000 1.233 163 I HN 0.490 nan 8.210 nan 0.000 0.431 164 D N 6.881 127.578 120.400 0.495 0.000 2.317 164 D HA 0.452 5.097 4.640 0.009 0.000 0.234 164 D C -0.546 175.847 176.300 0.155 0.000 1.112 164 D CA -0.124 54.090 54.000 0.356 0.000 0.840 164 D CB 0.963 41.911 40.800 0.247 0.000 1.078 164 D HN 0.296 nan 8.370 nan 0.000 0.486 165 L N 5.178 126.475 121.223 0.122 0.000 2.418 165 L HA 0.312 4.658 4.340 0.009 0.000 0.265 165 L C -1.281 175.604 176.870 0.025 0.000 1.143 165 L CA -1.730 53.148 54.840 0.065 0.000 0.809 165 L CB 0.908 43.003 42.059 0.061 0.000 1.124 165 L HN 0.372 nan 8.230 nan 0.000 0.456 166 P HA -0.127 nan 4.420 nan 0.000 0.213 166 P C -0.143 177.151 177.300 -0.010 0.000 1.170 166 P CA 0.788 63.881 63.100 -0.012 0.000 0.898 166 P CB 0.173 31.870 31.700 -0.006 0.000 0.787 193 R N 0.817 121.313 120.500 -0.006 0.000 2.082 193 R HA 0.160 4.506 4.340 0.009 0.000 0.228 193 R C 1.941 178.234 176.300 -0.010 0.000 1.140 193 R CA 1.109 57.204 56.100 -0.008 0.000 0.920 193 R CB -0.319 29.976 30.300 -0.008 0.000 0.828 193 R HN 0.055 nan 8.270 nan 0.000 0.430 194 R N 0.481 120.976 120.500 -0.008 0.000 2.090 194 R HA 0.097 4.443 4.340 0.009 0.000 0.228 194 R C 2.036 178.331 176.300 -0.008 0.000 1.110 194 R CA 1.344 57.438 56.100 -0.010 0.000 0.973 194 R CB -0.434 29.862 30.300 -0.007 0.000 0.869 194 R HN 0.305 nan 8.270 nan 0.000 0.440 195 A N 1.448 124.266 122.820 -0.003 0.000 1.859 195 A HA -0.187 4.139 4.320 0.009 0.000 0.217 195 A C 2.351 179.932 177.584 -0.004 0.000 1.198 195 A CA 1.498 53.535 52.037 0.001 0.000 0.629 195 A CB -0.876 18.126 19.000 0.004 0.000 0.830 195 A HN 0.301 nan 8.150 nan 0.000 0.446 196 L N -0.962 120.255 121.223 -0.009 0.000 2.127 196 L HA -0.191 4.155 4.340 0.009 0.000 0.211 196 L C 2.760 179.613 176.870 -0.029 0.000 1.089 196 L CA 1.339 56.169 54.840 -0.017 0.000 0.757 196 L CB -0.611 41.438 42.059 -0.016 0.000 0.899 196 L HN 0.416 nan 8.230 nan 0.000 0.434 197 E N 0.620 120.804 120.200 -0.026 0.000 2.023 197 E HA -0.200 4.156 4.350 0.009 0.000 0.196 197 E C 2.346 178.921 176.600 -0.040 0.000 1.003 197 E CA 1.359 57.739 56.400 -0.033 0.000 0.809 197 E CB -0.281 29.404 29.700 -0.026 0.000 0.755 197 E HN 0.446 nan 8.360 nan 0.000 0.449 198 L N 0.381 121.587 121.223 -0.029 0.000 2.043 198 L HA -0.247 4.099 4.340 0.009 0.000 0.212 198 L C 2.641 179.484 176.870 -0.044 0.000 1.075 198 L CA 1.326 56.148 54.840 -0.029 0.000 0.752 198 L CB -0.677 41.376 42.059 -0.009 0.000 0.891 198 L HN 0.089 nan 8.230 nan 0.000 0.432 199 A N 0.269 123.064 122.820 -0.041 0.000 1.873 199 A HA -0.275 4.050 4.320 0.009 0.000 0.218 199 A C 2.558 180.059 177.584 -0.138 0.000 1.193 199 A CA 2.220 54.218 52.037 -0.065 0.000 0.629 199 A CB -0.909 18.066 19.000 -0.043 0.000 0.826 199 A HN 0.433 nan 8.150 nan 0.000 0.447 200 A N -0.402 122.344 122.820 -0.124 0.000 1.940 200 A HA 0.128 4.453 4.320 0.009 0.000 0.219 200 A C 2.504 179.984 177.584 -0.173 0.000 1.176 200 A CA 2.238 54.180 52.037 -0.157 0.000 0.631 200 A CB -1.029 17.905 19.000 -0.109 0.000 0.814 200 A HN 1.171 nan 8.150 nan 0.000 0.446 201 A N -0.438 122.307 122.820 -0.125 0.000 1.908 201 A HA -0.042 4.284 4.320 0.009 0.000 0.218 201 A C 2.219 179.717 177.584 -0.142 0.000 1.181 201 A CA 1.888 53.860 52.037 -0.108 0.000 0.627 201 A CB -1.008 17.951 19.000 -0.068 0.000 0.818 201 A HN 0.452 nan 8.150 nan 0.000 0.445 202 V N 0.243 120.057 119.914 -0.166 0.000 2.332 202 V HA -0.285 3.841 4.120 0.009 0.000 0.248 202 V C 2.553 178.375 176.094 -0.454 0.000 1.055 202 V CA 2.011 64.189 62.300 -0.202 0.000 1.038 202 V CB -0.906 30.825 31.823 -0.154 0.000 0.651 202 V HN 0.573 nan 8.190 nan 0.000 0.450 203 L N 0.304 121.143 121.223 -0.639 0.000 2.046 203 L HA -0.095 4.250 4.340 0.009 0.000 0.208 203 L C 2.214 178.812 176.870 -0.454 0.000 1.077 203 L CA 1.667 55.964 54.840 -0.906 0.000 0.747 203 L CB -0.586 41.034 42.059 -0.731 0.000 0.896 203 L HN 0.361 nan 8.230 nan 0.000 0.432 204 A N 0.039 122.698 122.820 -0.270 0.000 2.415 204 A HA 0.377 4.702 4.320 0.009 0.000 0.248 204 A C 1.070 178.601 177.584 -0.088 0.000 1.299 204 A CA 0.119 52.070 52.037 -0.144 0.000 0.899 204 A CB -0.788 18.143 19.000 -0.115 0.000 0.997 204 A HN 0.273 nan 8.150 nan 0.000 0.506 205 G N -0.719 108.028 108.800 -0.088 0.000 2.594 205 G HA2 0.291 4.256 3.960 0.009 0.000 0.243 205 G HA3 0.291 4.256 3.960 0.009 0.000 0.243 205 G C 0.709 175.614 174.900 0.008 0.000 1.229 205 G CA -0.534 44.549 45.100 -0.028 0.000 0.843 205 G HN 0.484 nan 8.290 nan 0.000 0.578 206 R N -0.125 120.384 120.500 0.014 0.000 2.140 206 R HA 0.056 4.402 4.340 0.009 0.000 0.213 206 R C -0.213 176.110 176.300 0.038 0.000 1.059 206 R CA 0.207 56.320 56.100 0.021 0.000 1.000 206 R CB 0.186 30.493 30.300 0.012 0.000 0.910 206 R HN 0.481 nan 8.270 nan 0.000 0.455 207 D N 0.410 120.837 120.400 0.046 0.000 2.255 207 D HA 0.087 4.732 4.640 0.009 0.000 0.249 207 D C 0.412 176.765 176.300 0.087 0.000 1.078 207 D CA 0.050 54.084 54.000 0.057 0.000 0.896 207 D CB 1.510 42.342 40.800 0.052 0.000 1.194 207 D HN 0.148 nan 8.370 nan 0.000 0.429 208 G N 2.032 110.881 108.800 0.083 0.000 3.180 208 G HA2 -0.085 3.881 3.960 0.009 0.000 0.246 208 G HA3 -0.085 3.881 3.960 0.009 0.000 0.246 208 G C 0.304 175.274 174.900 0.116 0.000 0.939 208 G CA -0.143 45.016 45.100 0.099 0.000 1.920 208 G HN 0.258 nan 8.290 nan 0.000 0.612 209 E N 1.762 122.056 120.200 0.155 0.000 1.856 209 E HA 0.039 4.394 4.350 0.009 0.000 0.263 209 E C 0.103 176.852 176.600 0.249 0.000 1.137 209 E CA -0.170 56.338 56.400 0.179 0.000 1.007 209 E CB 0.781 30.586 29.700 0.176 0.000 1.117 209 E HN 0.587 nan 8.360 nan 0.000 0.438 210 D N 1.058 121.543 120.400 0.141 0.000 2.370 210 D HA -0.045 4.601 4.640 0.009 0.000 0.230 210 D C -0.032 176.282 176.300 0.022 0.000 1.143 210 D CA -0.040 53.952 54.000 -0.013 0.000 0.834 210 D CB 0.183 40.891 40.800 -0.153 0.000 0.944 210 D HN 0.150 nan 8.370 nan 0.000 0.504 211 Q N 0.299 120.208 119.800 0.181 0.000 3.258 211 Q HA 0.356 4.702 4.340 0.009 0.000 0.214 211 Q C -1.601 174.731 176.000 0.553 0.000 0.873 211 Q CA -0.352 55.628 55.803 0.296 0.000 0.752 211 Q CB 2.136 31.088 28.738 0.357 0.000 1.396 211 Q HN -0.011 nan 8.270 nan 0.000 0.463 212 V N 0.393 120.648 119.914 0.569 0.000 2.823 212 V HA 0.882 5.008 4.120 0.009 0.000 0.312 212 V C -0.652 175.752 176.094 0.516 0.000 1.072 212 V CA -0.881 61.736 62.300 0.528 0.000 0.937 212 V CB 2.043 34.068 31.823 0.336 0.000 1.013 212 V HN 0.609 nan 8.190 nan 0.000 0.430 213 A N 2.912 125.904 122.820 0.287 0.000 2.311 213 A HA 0.780 5.106 4.320 0.009 0.000 0.306 213 A C -0.838 176.804 177.584 0.097 0.000 1.189 213 A CA -0.495 51.566 52.037 0.039 0.000 0.791 213 A CB 1.245 19.924 19.000 -0.536 0.000 1.172 213 A HN 0.667 nan 8.150 nan 0.000 0.481 214 V N 4.608 124.576 119.914 0.090 0.000 2.406 214 V HA 0.473 4.598 4.120 0.009 0.000 0.272 214 V C 0.158 176.283 176.094 0.052 0.000 1.043 214 V CA -0.314 62.039 62.300 0.087 0.000 0.915 214 V CB 0.628 32.489 31.823 0.064 0.000 0.988 214 V HN 0.905 nan 8.190 nan 0.000 0.466 215 R N 2.874 123.434 120.500 0.100 0.000 2.888 215 R HA 0.640 4.986 4.340 0.009 0.000 0.264 215 R C 1.064 177.409 176.300 0.076 0.000 1.045 215 R CA -0.266 55.871 56.100 0.063 0.000 0.962 215 R CB 1.698 32.029 30.300 0.051 0.000 1.210 215 R HN 0.596 nan 8.270 nan 0.000 0.479 216 A N 0.541 123.386 122.820 0.042 0.000 1.978 216 A HA -0.162 4.164 4.320 0.009 0.000 0.220 216 A C 1.640 179.255 177.584 0.051 0.000 1.170 216 A CA 2.195 54.252 52.037 0.033 0.000 0.636 216 A CB -0.405 18.606 19.000 0.017 0.000 0.810 216 A HN 0.659 nan 8.150 nan 0.000 0.448 217 S N -1.220 114.538 115.700 0.096 0.000 2.447 217 S HA 0.371 4.847 4.470 0.009 0.000 0.233 217 S C 1.105 175.742 174.600 0.061 0.000 1.006 217 S CA 0.804 59.073 58.200 0.115 0.000 0.957 217 S CB -0.301 63.039 63.200 0.232 0.000 0.773 217 S HN 1.572 nan 8.310 nan 0.000 0.507 218 G N 1.097 109.943 108.800 0.076 0.000 2.293 218 G HA2 0.091 4.056 3.960 0.009 0.000 0.282 218 G HA3 0.091 4.056 3.960 0.009 0.000 0.282 218 G C -1.153 173.737 174.900 -0.018 0.000 1.299 218 G CA -0.604 44.474 45.100 -0.037 0.000 1.018 218 G HN 0.541 nan 8.290 nan 0.000 0.478 219 I N -2.009 118.488 120.570 -0.123 0.000 2.437 219 I HA 0.829 5.004 4.170 0.009 0.000 0.298 219 I C -1.069 174.962 176.117 -0.145 0.000 0.984 219 I CA -1.142 60.151 61.300 -0.012 0.000 1.214 219 I CB 1.533 39.545 38.000 0.020 0.000 1.365 219 I HN 0.450 nan 8.210 nan 0.000 0.469 220 Y N 3.172 123.514 120.300 0.071 0.000 2.409 220 Y HA 0.705 5.265 4.550 0.017 0.000 0.343 220 Y C 0.580 176.691 175.900 0.352 0.000 0.973 220 Y CA -0.880 57.323 58.100 0.172 0.000 1.064 220 Y CB 2.294 40.812 38.460 0.097 0.000 1.207 220 Y HN 0.776 nan 8.280 nan 0.000 0.452 221 G N 2.415 111.513 108.800 0.497 0.000 2.343 221 G HA2 0.479 4.445 3.960 0.009 0.000 0.319 221 G HA3 0.479 4.445 3.960 0.009 0.000 0.319 221 G C -0.825 174.330 174.900 0.424 0.000 1.126 221 G CA -0.974 44.395 45.100 0.447 0.000 0.889 221 G HN 0.646 nan 8.290 nan 0.000 0.457 222 R N 1.553 122.253 120.500 0.332 0.000 2.570 222 R HA 0.264 4.610 4.340 0.009 0.000 0.277 222 R C -0.241 175.936 176.300 -0.205 0.000 1.039 222 R CA 0.210 56.145 56.100 -0.274 0.000 1.065 222 R CB 0.326 30.506 30.300 -0.201 0.000 0.964 222 R HN 0.364 nan 8.270 nan 0.000 0.428 223 R N 3.083 123.389 120.500 -0.324 0.000 2.651 223 R HA 0.269 4.615 4.340 0.009 0.000 0.278 223 R C -1.347 174.805 176.300 -0.248 0.000 1.010 223 R CA -0.893 55.067 56.100 -0.234 0.000 0.896 223 R CB 1.976 32.200 30.300 -0.126 0.000 1.211 223 R HN 0.524 nan 8.270 nan 0.000 0.456 224 V N -0.376 119.381 119.914 -0.262 0.000 2.350 224 V HA 0.697 4.823 4.120 0.009 0.000 0.276 224 V C -0.030 176.051 176.094 -0.023 0.000 1.028 224 V CA -0.613 61.602 62.300 -0.143 0.000 0.860 224 V CB 1.193 32.829 31.823 -0.312 0.000 0.990 224 V HN 0.760 nan 8.190 nan 0.000 0.453 225 S N 4.263 120.009 115.700 0.076 0.000 2.521 225 S HA 0.667 5.143 4.470 0.009 0.000 0.295 225 S C -0.250 174.456 174.600 0.177 0.000 1.098 225 S CA -1.155 57.103 58.200 0.097 0.000 0.999 225 S CB 1.523 64.737 63.200 0.022 0.000 1.034 225 S HN 0.830 nan 8.310 nan 0.000 0.483 226 R N 1.166 121.750 120.500 0.140 0.000 2.583 226 R HA 0.322 4.668 4.340 0.009 0.000 0.274 226 R C 0.617 176.893 176.300 -0.040 0.000 0.998 226 R CA 0.320 56.387 56.100 -0.056 0.000 1.081 226 R CB 0.058 30.276 30.300 -0.137 0.000 0.940 226 R HN 0.832 nan 8.270 nan 0.000 0.413 227 A N 2.581 125.359 122.820 -0.070 0.000 2.257 227 A HA 0.597 4.923 4.320 0.009 0.000 0.289 227 A C 0.397 177.948 177.584 -0.055 0.000 1.095 227 A CA -0.169 51.847 52.037 -0.035 0.000 0.836 227 A CB 0.633 19.622 19.000 -0.018 0.000 1.111 227 A HN 0.840 nan 8.150 nan 0.000 0.497 228 A N -0.162 122.637 122.820 -0.035 0.000 2.377 228 A HA 0.491 4.817 4.320 0.009 0.000 0.274 228 A C 0.861 178.417 177.584 -0.046 0.000 1.178 228 A CA 0.503 52.519 52.037 -0.035 0.000 0.836 228 A CB -0.591 18.396 19.000 -0.021 0.000 1.111 228 A HN 2.217 nan 8.150 nan 0.000 0.517 229 A N -2.148 120.648 122.820 -0.040 0.000 2.279 229 A HA 0.624 4.950 4.320 0.009 0.000 0.303 229 A C 1.013 178.576 177.584 -0.034 0.000 1.108 229 A CA 0.151 52.160 52.037 -0.046 0.000 0.830 229 A CB 0.653 19.627 19.000 -0.044 0.000 1.106 229 A HN 1.900 nan 8.150 nan 0.000 0.493 230 A N 0.622 123.420 122.820 -0.037 0.000 1.997 230 A HA 0.486 4.811 4.320 0.009 0.000 0.212 230 A C 1.738 179.314 177.584 -0.014 0.000 1.178 230 A CA 1.515 53.540 52.037 -0.020 0.000 0.698 230 A CB -1.163 17.826 19.000 -0.019 0.000 0.842 230 A HN 2.731 nan 8.150 nan 0.000 0.458 231 G N -0.549 108.235 108.800 -0.027 0.000 2.596 231 G HA2 -0.084 3.882 3.960 0.009 0.000 0.295 231 G HA3 -0.084 3.882 3.960 0.009 0.000 0.295 231 G C 1.247 176.139 174.900 -0.013 0.000 1.240 231 G CA 1.092 46.178 45.100 -0.023 0.000 0.985 231 G HN 1.521 nan 8.290 nan 0.000 0.555 232 A N 0.399 123.216 122.820 -0.005 0.000 2.206 232 A HA 0.643 4.969 4.320 0.009 0.000 0.211 232 A C 1.769 179.363 177.584 0.018 0.000 1.158 232 A CA 1.732 53.770 52.037 0.002 0.000 0.761 232 A CB -0.759 18.242 19.000 0.001 0.000 0.801 232 A HN 2.423 nan 8.150 nan 0.000 0.473 233 A N -0.123 122.711 122.820 0.023 0.000 2.540 233 A HA 0.497 4.822 4.320 0.009 0.000 0.239 233 A C 0.492 178.118 177.584 0.069 0.000 1.061 233 A CA 0.912 52.976 52.037 0.046 0.000 0.758 233 A CB 0.018 19.044 19.000 0.044 0.000 0.991 233 A HN 0.754 nan 8.150 nan 0.000 0.502 234 S N 0.981 116.741 115.700 0.100 0.000 2.643 234 S HA 0.650 5.126 4.470 0.009 0.000 0.270 234 S C -1.933 172.808 174.600 0.235 0.000 1.166 234 S CA -0.458 57.830 58.200 0.147 0.000 0.815 234 S CB 0.758 64.016 63.200 0.098 0.000 1.139 234 S HN 1.061 nan 8.310 nan 0.000 0.472 235 W N 1.431 122.767 121.300 0.061 0.000 2.844 235 W HA 0.641 5.307 4.660 0.011 0.000 0.340 235 W C -1.282 175.282 176.519 0.074 0.000 1.093 235 W CA -0.266 57.124 57.345 0.076 0.000 1.212 235 W CB 1.738 31.264 29.460 0.111 0.000 1.422 235 W HN 0.666 nan 8.180 nan 0.000 0.515 236 Q N 6.274 125.674 119.800 -0.667 0.000 2.325 236 Q HA 0.328 4.674 4.340 0.009 0.000 0.270 236 Q C -2.146 173.256 176.000 -0.996 0.000 1.020 236 Q CA -1.959 53.510 55.803 -0.557 0.000 0.785 236 Q CB 2.418 30.954 28.738 -0.337 0.000 1.259 236 Q HN 0.185 nan 8.270 nan 0.000 0.452 237 P HA 0.034 nan 4.420 nan 0.000 0.271 237 P C -0.856 176.310 177.300 -0.222 0.000 1.218 237 P CA 0.062 62.950 63.100 -0.353 0.000 0.780 237 P CB 1.110 32.852 31.700 0.070 0.000 0.901 238 S N -0.374 115.273 115.700 -0.089 0.000 2.567 238 S HA 0.670 5.146 4.470 0.009 0.000 0.270 238 S C 0.139 174.772 174.600 0.055 0.000 1.152 238 S CA -0.013 58.166 58.200 -0.034 0.000 0.835 238 S CB 1.127 64.280 63.200 -0.078 0.000 1.115 238 S HN 0.915 nan 8.310 nan 0.000 0.459 239 G N 1.266 110.097 108.800 0.051 0.000 2.564 239 G HA2 -0.131 3.835 3.960 0.009 0.000 0.273 239 G HA3 -0.131 3.835 3.960 0.009 0.000 0.273 239 G C -0.161 174.799 174.900 0.100 0.000 1.242 239 G CA 0.008 45.155 45.100 0.078 0.000 0.951 239 G HN 1.646 nan 8.290 nan 0.000 0.564 240 T N 0.654 115.280 114.554 0.120 0.000 2.806 240 T HA 0.525 4.881 4.350 0.009 0.000 0.290 240 T C 0.126 174.921 174.700 0.158 0.000 0.966 240 T CA -0.092 62.084 62.100 0.125 0.000 1.060 240 T CB 1.644 70.598 68.868 0.143 0.000 0.927 240 T HN 0.923 nan 8.240 nan 0.000 0.485 241 V N 4.777 124.783 119.914 0.153 0.000 2.409 241 V HA 0.409 4.534 4.120 0.009 0.000 0.291 241 V C -0.367 175.826 176.094 0.164 0.000 1.020 241 V CA -0.947 61.486 62.300 0.222 0.000 0.848 241 V CB 1.492 33.481 31.823 0.277 0.000 0.990 241 V HN 0.667 nan 8.190 nan 0.000 0.430 242 L N 7.149 128.480 121.223 0.179 0.000 2.275 242 L HA 0.647 4.992 4.340 0.009 0.000 0.288 242 L C -0.569 176.394 176.870 0.155 0.000 1.046 242 L CA 0.292 55.205 54.840 0.123 0.000 0.805 242 L CB 0.860 42.981 42.059 0.104 0.000 1.193 242 L HN 0.561 nan 8.230 nan 0.000 0.426 243 I N 4.790 125.407 120.570 0.079 0.000 2.439 243 I HA 0.283 4.459 4.170 0.009 0.000 0.283 243 I C 0.128 176.235 176.117 -0.018 0.000 1.023 243 I CA -0.495 60.833 61.300 0.045 0.000 1.100 243 I CB 1.915 39.885 38.000 -0.049 0.000 1.238 243 I HN 0.714 nan 8.210 nan 0.000 0.445 244 T N 1.544 116.099 114.554 0.002 0.000 2.882 244 T HA 0.482 4.838 4.350 0.009 0.000 0.287 244 T C 1.107 175.723 174.700 -0.140 0.000 1.014 244 T CA 0.183 62.276 62.100 -0.011 0.000 1.049 244 T CB 1.535 70.485 68.868 0.137 0.000 1.001 244 T HN 1.026 nan 8.240 nan 0.000 0.525 245 G N 0.555 109.277 108.800 -0.130 0.000 2.305 245 G HA2 -0.162 3.803 3.960 0.009 0.000 0.287 245 G HA3 -0.162 3.803 3.960 0.009 0.000 0.287 245 G C 0.936 175.705 174.900 -0.218 0.000 1.036 245 G CA 0.269 45.256 45.100 -0.188 0.000 0.887 245 G HN 1.460 nan 8.290 nan 0.000 0.505 246 G N -0.787 107.903 108.800 -0.184 0.000 2.598 246 G HA2 0.137 4.102 3.960 0.009 0.000 0.215 246 G HA3 0.137 4.102 3.960 0.009 0.000 0.215 246 G C 1.368 176.137 174.900 -0.217 0.000 1.131 246 G CA 1.004 45.971 45.100 -0.221 0.000 0.785 246 G HN 0.502 nan 8.290 nan 0.000 0.539 247 M N 1.396 120.896 119.600 -0.167 0.000 2.475 247 M HA 0.248 4.734 4.480 0.009 0.000 0.261 247 M C 1.125 177.350 176.300 -0.124 0.000 1.177 247 M CA -0.482 54.744 55.300 -0.124 0.000 0.979 247 M CB 0.307 32.884 32.600 -0.039 0.000 1.482 247 M HN 0.064 nan 8.290 nan 0.000 0.484 248 G N -0.704 107.993 108.800 -0.172 0.000 2.522 248 G HA2 0.529 4.494 3.960 0.009 0.000 0.304 248 G HA3 0.529 4.494 3.960 0.009 0.000 0.304 248 G C 0.856 175.631 174.900 -0.210 0.000 1.210 248 G CA 0.044 45.029 45.100 -0.192 0.000 0.960 248 G HN 0.263 nan 8.290 nan 0.000 0.497 249 A N -0.160 122.534 122.820 -0.210 0.000 1.883 249 A HA -0.071 4.254 4.320 0.009 0.000 0.217 249 A C 2.305 179.737 177.584 -0.253 0.000 1.186 249 A CA 1.514 53.439 52.037 -0.187 0.000 0.624 249 A CB -0.477 18.430 19.000 -0.155 0.000 0.822 249 A HN 0.569 nan 8.150 nan 0.000 0.444 250 I N -0.749 119.556 120.570 -0.443 0.000 2.193 250 I HA -0.134 4.042 4.170 0.009 0.000 0.240 250 I C 2.784 178.636 176.117 -0.443 0.000 1.084 250 I CA 0.937 61.868 61.300 -0.615 0.000 1.365 250 I CB -0.827 36.528 38.000 -1.075 0.000 1.064 250 I HN 0.401 nan 8.210 nan 0.000 0.410 251 G N 1.125 109.662 108.800 -0.438 0.000 2.599 251 G HA2 -0.306 3.660 3.960 0.009 0.000 0.219 251 G HA3 -0.306 3.660 3.960 0.009 0.000 0.219 251 G C 1.757 176.506 174.900 -0.251 0.000 1.193 251 G CA 0.951 45.841 45.100 -0.350 0.000 0.778 251 G HN 0.298 nan 8.290 nan 0.000 0.589 252 R N -0.089 120.290 120.500 -0.202 0.000 2.096 252 R HA -0.113 4.233 4.340 0.009 0.000 0.240 252 R C 2.661 178.890 176.300 -0.119 0.000 1.139 252 R CA 1.559 57.571 56.100 -0.145 0.000 0.952 252 R CB -0.367 29.866 30.300 -0.112 0.000 0.854 252 R HN 0.338 nan 8.270 nan 0.000 0.436 253 R N 1.397 121.833 120.500 -0.107 0.000 2.091 253 R HA -0.092 4.253 4.340 0.009 0.000 0.238 253 R C 2.107 178.364 176.300 -0.072 0.000 1.136 253 R CA 1.370 57.437 56.100 -0.055 0.000 0.959 253 R CB -0.737 29.567 30.300 0.006 0.000 0.856 253 R HN 0.267 nan 8.270 nan 0.000 0.437 254 L N -0.288 120.859 121.223 -0.127 0.000 2.017 254 L HA -0.116 4.230 4.340 0.009 0.000 0.208 254 L C 2.264 179.024 176.870 -0.183 0.000 1.073 254 L CA 1.690 56.431 54.840 -0.165 0.000 0.745 254 L CB -0.665 41.231 42.059 -0.272 0.000 0.894 254 L HN 0.469 nan 8.230 nan 0.000 0.432 255 A N 0.116 122.830 122.820 -0.177 0.000 1.865 255 A HA -0.268 4.058 4.320 0.009 0.000 0.217 255 A C 2.232 179.746 177.584 -0.116 0.000 1.191 255 A CA 1.866 53.815 52.037 -0.145 0.000 0.623 255 A CB -0.627 18.291 19.000 -0.136 0.000 0.826 255 A HN 0.427 nan 8.150 nan 0.000 0.444 256 R N -1.162 119.281 120.500 -0.095 0.000 2.105 256 R HA -0.109 4.237 4.340 0.009 0.000 0.239 256 R C 2.417 178.612 176.300 -0.176 0.000 1.135 256 R CA 1.361 57.405 56.100 -0.094 0.000 0.967 256 R CB -0.277 30.002 30.300 -0.033 0.000 0.861 256 R HN 0.344 nan 8.270 nan 0.000 0.442 257 R N 0.658 121.084 120.500 -0.124 0.000 2.073 257 R HA -0.022 4.324 4.340 0.009 0.000 0.229 257 R C 2.325 178.555 176.300 -0.116 0.000 1.120 257 R CA 1.058 57.092 56.100 -0.110 0.000 0.967 257 R CB -0.530 29.740 30.300 -0.051 0.000 0.862 257 R HN 0.286 nan 8.270 nan 0.000 0.436 258 L N -0.003 121.155 121.223 -0.109 0.000 2.005 258 L HA -0.096 4.250 4.340 0.009 0.000 0.207 258 L C 2.650 179.470 176.870 -0.084 0.000 1.072 258 L CA 1.394 56.194 54.840 -0.067 0.000 0.744 258 L CB -0.795 41.219 42.059 -0.074 0.000 0.895 258 L HN 0.133 nan 8.230 nan 0.000 0.433 259 A N 0.191 122.941 122.820 -0.118 0.000 1.940 259 A HA -0.190 4.136 4.320 0.009 0.000 0.219 259 A C 2.390 179.845 177.584 -0.214 0.000 1.176 259 A CA 1.878 53.849 52.037 -0.109 0.000 0.631 259 A CB -0.646 18.315 19.000 -0.064 0.000 0.814 259 A HN 0.438 nan 8.150 nan 0.000 0.446 260 A N -0.875 121.674 122.820 -0.452 0.000 2.167 260 A HA 0.063 4.389 4.320 0.009 0.000 0.214 260 A C 1.354 178.826 177.584 -0.186 0.000 1.151 260 A CA 1.001 52.719 52.037 -0.530 0.000 0.735 260 A CB -0.184 18.409 19.000 -0.678 0.000 0.802 260 A HN 0.603 nan 8.150 nan 0.000 0.467 261 E N -1.434 118.691 120.200 -0.126 0.000 2.685 261 E HA 0.365 4.721 4.350 0.009 0.000 0.208 261 E C 0.657 177.222 176.600 -0.058 0.000 0.996 261 E CA 0.204 56.563 56.400 -0.069 0.000 1.054 261 E CB 0.324 29.994 29.700 -0.049 0.000 1.075 261 E HN 0.589 nan 8.360 nan 0.000 0.460 262 G N 0.996 109.767 108.800 -0.047 0.000 2.205 262 G HA2 -0.201 3.764 3.960 0.009 0.000 0.180 262 G HA3 -0.201 3.764 3.960 0.009 0.000 0.180 262 G C 0.397 175.281 174.900 -0.026 0.000 1.004 262 G CA -0.295 44.781 45.100 -0.041 0.000 0.670 262 G HN 0.402 nan 8.290 nan 0.000 0.496 263 A N 0.288 123.101 122.820 -0.011 0.000 2.477 263 A HA 0.642 4.967 4.320 0.009 0.000 0.246 263 A C 1.054 178.651 177.584 0.022 0.000 1.078 263 A CA 1.026 53.075 52.037 0.019 0.000 0.770 263 A CB 0.284 19.300 19.000 0.027 0.000 1.011 263 A HN 0.437 nan 8.150 nan 0.000 0.494 264 E N 0.679 120.899 120.200 0.034 0.000 2.216 264 E HA 0.048 4.403 4.350 0.009 0.000 0.192 264 E C 0.718 177.340 176.600 0.037 0.000 0.973 264 E CA 0.450 56.870 56.400 0.034 0.000 0.851 264 E CB 0.332 30.055 29.700 0.039 0.000 0.804 264 E HN 0.635 nan 8.360 nan 0.000 0.477 265 R N 0.574 121.099 120.500 0.041 0.000 2.566 265 R HA 0.370 4.715 4.340 0.009 0.000 0.271 265 R C -1.900 174.408 176.300 0.013 0.000 1.071 265 R CA -0.366 55.747 56.100 0.022 0.000 0.915 265 R CB 1.142 31.463 30.300 0.035 0.000 1.228 265 R HN -0.051 nan 8.270 nan 0.000 0.449 266 L N 4.033 125.240 121.223 -0.026 0.000 2.346 266 L HA 0.617 4.962 4.340 0.009 0.000 0.276 266 L C -0.822 175.991 176.870 -0.095 0.000 1.006 266 L CA -1.185 53.633 54.840 -0.035 0.000 0.817 266 L CB 2.300 44.333 42.059 -0.043 0.000 1.272 266 L HN 0.329 nan 8.230 nan 0.000 0.421 267 V N 4.939 124.803 119.914 -0.083 0.000 2.376 267 V HA 0.424 4.550 4.120 0.009 0.000 0.287 267 V C -0.191 175.860 176.094 -0.071 0.000 1.015 267 V CA -0.361 61.865 62.300 -0.123 0.000 0.834 267 V CB 1.801 33.550 31.823 -0.123 0.000 1.001 267 V HN 0.498 nan 8.190 nan 0.000 0.428 268 L N 4.885 126.049 121.223 -0.099 0.000 2.307 268 L HA 0.754 5.100 4.340 0.009 0.000 0.284 268 L C 0.410 177.268 176.870 -0.021 0.000 1.023 268 L CA -0.364 54.391 54.840 -0.142 0.000 0.810 268 L CB 2.062 43.909 42.059 -0.353 0.000 1.231 268 L HN 0.714 nan 8.230 nan 0.000 0.423 269 T N -0.448 114.109 114.554 0.006 0.000 2.888 269 T HA 0.817 5.173 4.350 0.009 0.000 0.284 269 T C -0.263 174.491 174.700 0.091 0.000 1.017 269 T CA -0.578 61.581 62.100 0.099 0.000 1.022 269 T CB 1.943 70.853 68.868 0.069 0.000 1.013 269 T HN 0.742 nan 8.240 nan 0.000 0.465 270 S N 1.788 117.583 115.700 0.158 0.000 2.588 270 S HA 0.428 4.904 4.470 0.009 0.000 0.269 270 S C 1.129 175.764 174.600 0.059 0.000 1.157 270 S CA -1.141 57.128 58.200 0.115 0.000 0.824 270 S CB 1.629 64.963 63.200 0.224 0.000 1.126 270 S HN 0.937 nan 8.310 nan 0.000 0.464 271 R N 1.287 121.802 120.500 0.024 0.000 2.091 271 R HA -0.035 4.311 4.340 0.009 0.000 0.238 271 R C 1.134 177.428 176.300 -0.009 0.000 1.136 271 R CA 1.096 57.199 56.100 0.004 0.000 0.959 271 R CB -0.647 29.650 30.300 -0.006 0.000 0.856 271 R HN 0.608 nan 8.270 nan 0.000 0.437 272 R N 0.746 121.237 120.500 -0.015 0.000 2.290 272 R HA 0.175 4.521 4.340 0.009 0.000 0.197 272 R C 1.035 177.271 176.300 -0.107 0.000 0.913 272 R CA 0.680 56.753 56.100 -0.044 0.000 1.040 272 R CB 0.259 30.539 30.300 -0.033 0.000 0.992 272 R HN 0.500 nan 8.270 nan 0.000 0.500 273 G N 1.959 110.669 108.800 -0.149 0.000 2.562 273 G HA2 -0.260 3.705 3.960 0.009 0.000 0.250 273 G HA3 -0.260 3.705 3.960 0.009 0.000 0.250 273 G C -1.768 172.621 174.900 -0.850 0.000 1.269 273 G CA -0.014 44.812 45.100 -0.458 0.000 0.919 273 G HN 0.083 nan 8.290 nan 0.000 0.574 274 P HA -0.009 nan 4.420 nan 0.000 0.231 274 P C 0.904 178.101 177.300 -0.172 0.000 1.158 274 P CA 1.687 64.514 63.100 -0.455 0.000 0.763 274 P CB -0.055 31.504 31.700 -0.235 0.000 0.805 275 E N -0.419 119.686 120.200 -0.158 0.000 2.489 275 E HA 0.190 4.546 4.350 0.009 0.000 0.193 275 E C 0.907 177.480 176.600 -0.044 0.000 1.057 275 E CA -0.387 55.968 56.400 -0.075 0.000 0.866 275 E CB 0.074 29.735 29.700 -0.065 0.000 0.916 275 E HN 0.231 nan 8.360 nan 0.000 0.500 276 A N 3.267 126.065 122.820 -0.036 0.000 2.448 276 A HA 0.145 4.471 4.320 0.009 0.000 0.239 276 A C -2.114 175.483 177.584 0.021 0.000 1.080 276 A CA -1.089 50.956 52.037 0.014 0.000 0.779 276 A CB -0.284 18.765 19.000 0.082 0.000 1.026 276 A HN -0.074 nan 8.150 nan 0.000 0.499 277 P HA 0.149 nan 4.420 nan 0.000 0.265 277 P C 0.751 178.055 177.300 0.006 0.000 1.222 277 P CA 1.506 64.608 63.100 0.003 0.000 0.767 277 P CB 0.318 32.014 31.700 -0.007 0.000 0.801 278 G N 3.378 112.181 108.800 0.006 0.000 2.153 278 G HA2 -0.318 3.648 3.960 0.009 0.000 0.252 278 G HA3 -0.318 3.648 3.960 0.009 0.000 0.252 278 G C 1.042 175.952 174.900 0.017 0.000 0.994 278 G CA 0.388 45.490 45.100 0.005 0.000 0.698 278 G HN 0.687 nan 8.290 nan 0.000 0.521 279 A N 0.217 123.064 122.820 0.044 0.000 1.858 279 A HA 0.309 4.635 4.320 0.009 0.000 0.216 279 A C 2.888 180.518 177.584 0.076 0.000 1.190 279 A CA 2.950 55.049 52.037 0.102 0.000 0.617 279 A CB -1.040 18.063 19.000 0.171 0.000 0.827 279 A HN 1.821 nan 8.150 nan 0.000 0.443 280 A N -0.379 122.471 122.820 0.049 0.000 1.883 280 A HA -0.163 4.163 4.320 0.009 0.000 0.217 280 A C 1.885 179.479 177.584 0.015 0.000 1.186 280 A CA 2.096 54.151 52.037 0.030 0.000 0.624 280 A CB -0.578 18.431 19.000 0.015 0.000 0.822 280 A HN 0.525 nan 8.150 nan 0.000 0.444 281 E N -0.055 120.150 120.200 0.008 0.000 2.051 281 E HA -0.135 4.220 4.350 0.009 0.000 0.192 281 E C 1.976 178.573 176.600 -0.005 0.000 0.991 281 E CA 0.960 57.359 56.400 -0.001 0.000 0.799 281 E CB -0.395 29.302 29.700 -0.004 0.000 0.748 281 E HN 0.551 nan 8.360 nan 0.000 0.449 282 L N 0.199 121.419 121.223 -0.005 0.000 2.012 282 L HA -0.227 4.118 4.340 0.009 0.000 0.210 282 L C 2.179 179.040 176.870 -0.015 0.000 1.073 282 L CA 1.751 56.582 54.840 -0.016 0.000 0.748 282 L CB -0.468 41.570 42.059 -0.034 0.000 0.891 282 L HN 0.239 nan 8.230 nan 0.000 0.431 283 A N -0.426 122.388 122.820 -0.009 0.000 1.902 283 A HA -0.254 4.072 4.320 0.009 0.000 0.217 283 A C 2.007 179.588 177.584 -0.004 0.000 1.181 283 A CA 1.768 53.801 52.037 -0.008 0.000 0.623 283 A CB -0.518 18.488 19.000 0.011 0.000 0.818 283 A HN 0.578 nan 8.150 nan 0.000 0.443 284 E N -0.278 119.919 120.200 -0.005 0.000 2.077 284 E HA -0.212 4.144 4.350 0.009 0.000 0.193 284 E C 2.004 178.589 176.600 -0.026 0.000 0.989 284 E CA 1.461 57.853 56.400 -0.013 0.000 0.800 284 E CB -0.196 29.496 29.700 -0.013 0.000 0.746 284 E HN 0.751 nan 8.360 nan 0.000 0.452 285 E N 0.546 120.731 120.200 -0.026 0.000 2.150 285 E HA -0.142 4.214 4.350 0.009 0.000 0.193 285 E C 2.212 178.792 176.600 -0.034 0.000 0.985 285 E CA 0.593 56.964 56.400 -0.048 0.000 0.814 285 E CB -0.032 29.653 29.700 -0.026 0.000 0.752 285 E HN 0.263 nan 8.360 nan 0.000 0.466 286 L N 0.525 121.768 121.223 0.033 0.000 2.093 286 L HA -0.124 4.221 4.340 0.009 0.000 0.208 286 L C 2.431 179.352 176.870 0.085 0.000 1.085 286 L CA 1.055 55.963 54.840 0.113 0.000 0.755 286 L CB -0.299 41.789 42.059 0.047 0.000 0.904 286 L HN 0.039 nan 8.230 nan 0.000 0.435 287 R N -0.023 120.489 120.500 0.020 0.000 2.189 287 R HA -0.040 4.305 4.340 0.009 0.000 0.218 287 R C 2.286 178.578 176.300 -0.013 0.000 1.074 287 R CA 0.868 56.975 56.100 0.011 0.000 0.991 287 R CB -0.505 29.795 30.300 -0.001 0.000 0.883 287 R HN 0.375 nan 8.270 nan 0.000 0.457 288 G N 0.297 109.053 108.800 -0.073 0.000 2.498 288 G HA2 -0.213 3.753 3.960 0.009 0.000 0.219 288 G HA3 -0.213 3.753 3.960 0.009 0.000 0.219 288 G C 0.977 175.770 174.900 -0.180 0.000 1.119 288 G CA 0.452 45.467 45.100 -0.142 0.000 0.766 288 G HN 0.355 nan 8.290 nan 0.000 0.552 289 H N -0.048 119.015 119.070 -0.011 0.000 2.551 289 H HA 0.139 4.701 4.556 0.010 0.000 0.266 289 H C 2.258 177.582 175.328 -0.008 0.000 0.977 289 H CA 0.791 56.833 56.048 -0.010 0.000 1.163 289 H CB 0.434 30.189 29.762 -0.012 0.000 1.381 289 H HN 0.457 nan 8.280 nan 0.000 0.581 290 G N 0.242 109.088 108.800 0.076 0.000 2.232 290 G HA2 -0.279 3.686 3.960 0.009 0.000 0.226 290 G HA3 -0.279 3.686 3.960 0.009 0.000 0.226 290 G C 0.588 175.516 174.900 0.047 0.000 0.996 290 G CA 0.090 45.219 45.100 0.048 0.000 0.626 290 G HN 0.487 nan 8.290 nan 0.000 0.509 291 C N 1.991 121.330 119.300 0.066 0.000 2.637 291 C HA 0.557 5.023 4.460 0.009 0.000 0.418 291 C C 1.011 176.018 174.990 0.029 0.000 1.319 291 C CA -0.189 58.856 59.018 0.045 0.000 1.949 291 C CB 0.331 28.099 27.740 0.047 0.000 2.639 291 C HN 0.503 nan 8.230 nan 0.000 0.594 292 E N 3.271 123.482 120.200 0.019 0.000 2.289 292 E HA 0.470 4.826 4.350 0.009 0.000 0.278 292 E C -1.123 175.465 176.600 -0.020 0.000 1.032 292 E CA -0.239 56.165 56.400 0.007 0.000 0.854 292 E CB 0.886 30.597 29.700 0.018 0.000 1.046 292 E HN 0.630 nan 8.360 nan 0.000 0.409 293 V N 5.167 125.064 119.914 -0.027 0.000 2.487 293 V HA 0.369 4.495 4.120 0.009 0.000 0.298 293 V C -0.436 175.618 176.094 -0.066 0.000 1.028 293 V CA -0.786 61.482 62.300 -0.052 0.000 0.860 293 V CB 1.750 33.553 31.823 -0.033 0.000 0.991 293 V HN 0.468 nan 8.190 nan 0.000 0.427 294 V N 4.228 124.070 119.914 -0.120 0.000 2.656 294 V HA 0.539 4.665 4.120 0.009 0.000 0.307 294 V C -0.895 175.185 176.094 -0.023 0.000 1.051 294 V CA -0.459 61.772 62.300 -0.115 0.000 0.893 294 V CB 2.078 33.698 31.823 -0.338 0.000 0.999 294 V HN 0.982 nan 8.190 nan 0.000 0.426 295 H N 3.766 122.790 119.070 -0.077 0.000 2.547 295 H HA 0.807 5.369 4.556 0.010 0.000 0.342 295 H C -0.530 174.782 175.328 -0.028 0.000 1.048 295 H CA -0.347 55.670 56.048 -0.052 0.000 1.204 295 H CB 1.749 31.486 29.762 -0.041 0.000 1.493 295 H HN 0.848 nan 8.280 nan 0.000 0.511 296 A N 3.276 126.230 122.820 0.222 0.000 2.454 296 A HA 0.739 5.064 4.320 0.009 0.000 0.302 296 A C -0.986 176.617 177.584 0.030 0.000 1.079 296 A CA -0.256 51.811 52.037 0.050 0.000 0.731 296 A CB 1.425 20.471 19.000 0.077 0.000 1.299 296 A HN 0.780 nan 8.150 nan 0.000 0.413 297 A N -0.302 122.499 122.820 -0.033 0.000 2.286 297 A HA 0.753 5.078 4.320 0.009 0.000 0.286 297 A C 0.023 177.617 177.584 0.017 0.000 1.097 297 A CA 0.110 52.134 52.037 -0.021 0.000 0.821 297 A CB 0.309 19.280 19.000 -0.047 0.000 1.076 297 A HN 2.474 nan 8.150 nan 0.000 0.490 298 C N 0.044 119.357 119.300 0.022 0.000 3.249 298 C HA 0.443 4.909 4.460 0.009 0.000 0.358 298 C C -1.071 173.936 174.990 0.027 0.000 1.187 298 C CA -0.584 58.452 59.018 0.029 0.000 1.170 298 C CB 0.528 28.294 27.740 0.044 0.000 1.478 298 C HN 0.889 nan 8.230 nan 0.000 0.508 299 D N 1.855 122.271 120.400 0.027 0.000 2.342 299 D HA 0.245 4.891 4.640 0.009 0.000 0.221 299 D C 1.735 178.058 176.300 0.037 0.000 1.101 299 D CA 0.976 54.991 54.000 0.026 0.000 0.837 299 D CB 0.461 41.274 40.800 0.022 0.000 0.938 299 D HN 0.723 nan 8.370 nan 0.000 0.508 300 V N 0.504 120.446 119.914 0.048 0.000 0.439 300 V HA -0.421 3.704 4.120 0.009 0.000 0.091 300 V C 1.871 177.999 176.094 0.057 0.000 2.586 300 V CA 2.061 64.403 62.300 0.070 0.000 3.733 300 V CB -1.542 30.343 31.823 0.104 0.000 1.009 300 V HN 0.463 nan 8.190 nan 0.000 1.056 301 A N -0.498 122.350 122.820 0.047 0.000 2.275 301 A HA 0.225 4.551 4.320 0.009 0.000 0.212 301 A C 0.815 178.419 177.584 0.033 0.000 1.201 301 A CA 0.704 52.764 52.037 0.038 0.000 0.843 301 A CB -0.135 18.887 19.000 0.037 0.000 0.873 301 A HN 0.741 nan 8.150 nan 0.000 0.492 302 E N 0.626 120.845 120.200 0.032 0.000 2.223 302 E HA 0.173 4.529 4.350 0.009 0.000 0.282 302 E C 0.875 177.492 176.600 0.029 0.000 1.046 302 E CA -0.430 55.987 56.400 0.028 0.000 0.857 302 E CB 0.461 30.177 29.700 0.026 0.000 1.055 302 E HN 0.357 nan 8.360 nan 0.000 0.409 303 R N 3.190 123.706 120.500 0.026 0.000 2.096 303 R HA -0.165 4.181 4.340 0.009 0.000 0.229 303 R C 1.229 177.545 176.300 0.026 0.000 1.134 303 R CA 1.961 58.077 56.100 0.026 0.000 0.917 303 R CB -0.236 30.077 30.300 0.022 0.000 0.832 303 R HN 0.610 nan 8.270 nan 0.000 0.430 304 D N 0.253 120.667 120.400 0.022 0.000 2.133 304 D HA -0.198 4.448 4.640 0.009 0.000 0.192 304 D C 1.737 178.053 176.300 0.028 0.000 1.001 304 D CA 1.829 55.842 54.000 0.022 0.000 0.844 304 D CB -0.328 40.483 40.800 0.018 0.000 0.944 304 D HN 0.326 nan 8.370 nan 0.000 0.447 305 A N 0.167 123.006 122.820 0.030 0.000 1.877 305 A HA -0.129 4.197 4.320 0.009 0.000 0.216 305 A C 2.382 179.995 177.584 0.049 0.000 1.186 305 A CA 1.032 53.092 52.037 0.038 0.000 0.620 305 A CB -0.742 18.279 19.000 0.035 0.000 0.822 305 A HN 0.229 nan 8.150 nan 0.000 0.443 306 L N -1.081 120.170 121.223 0.047 0.000 2.044 306 L HA -0.140 4.206 4.340 0.009 0.000 0.205 306 L C 3.170 180.074 176.870 0.056 0.000 1.075 306 L CA 0.969 55.843 54.840 0.055 0.000 0.747 306 L CB -0.659 41.430 42.059 0.049 0.000 0.903 306 L HN 0.462 nan 8.230 nan 0.000 0.435 307 A N 0.347 123.193 122.820 0.043 0.000 1.873 307 A HA -0.295 4.030 4.320 0.009 0.000 0.218 307 A C 2.508 180.115 177.584 0.037 0.000 1.193 307 A CA 2.163 54.222 52.037 0.035 0.000 0.629 307 A CB -0.959 18.055 19.000 0.023 0.000 0.826 307 A HN 0.436 nan 8.150 nan 0.000 0.447 308 A N -1.193 121.649 122.820 0.036 0.000 1.986 308 A HA -0.118 4.208 4.320 0.009 0.000 0.220 308 A C 2.137 179.754 177.584 0.055 0.000 1.171 308 A CA 1.961 54.018 52.037 0.034 0.000 0.640 308 A CB -0.539 18.481 19.000 0.035 0.000 0.811 308 A HN 0.539 nan 8.150 nan 0.000 0.451 309 L N -0.098 121.180 121.223 0.092 0.000 2.095 309 L HA -0.073 4.273 4.340 0.009 0.000 0.204 309 L C 2.602 179.578 176.870 0.177 0.000 1.080 309 L CA 2.027 56.966 54.840 0.166 0.000 0.759 309 L CB -0.319 41.831 42.059 0.152 0.000 0.914 309 L HN 0.388 nan 8.230 nan 0.000 0.439 310 V N -5.179 114.804 119.914 0.115 0.000 2.970 310 V HA -0.108 4.018 4.120 0.009 0.000 0.260 310 V C 2.085 178.215 176.094 0.060 0.000 1.100 310 V CA 1.724 64.087 62.300 0.106 0.000 1.122 310 V CB -1.152 30.722 31.823 0.084 0.000 0.721 310 V HN 0.394 nan 8.190 nan 0.000 0.483 311 T N 1.502 116.072 114.554 0.028 0.000 2.698 311 T HA 0.035 4.391 4.350 0.009 0.000 0.260 311 T C 2.192 176.844 174.700 -0.080 0.000 1.044 311 T CA 2.054 64.145 62.100 -0.016 0.000 1.149 311 T CB -0.561 68.295 68.868 -0.020 0.000 0.864 311 T HN 0.713 nan 8.240 nan 0.000 0.419 312 A N 0.361 123.088 122.820 -0.155 0.000 1.972 312 A HA -0.009 4.317 4.320 0.009 0.000 0.219 312 A C 0.383 177.552 177.584 -0.692 0.000 1.169 312 A CA 1.137 52.898 52.037 -0.461 0.000 0.635 312 A CB -0.479 18.146 19.000 -0.626 0.000 0.810 312 A HN 0.638 nan 8.150 nan 0.000 0.446 313 Y N -0.994 119.328 120.300 0.036 0.000 2.662 313 Y HA 0.368 4.923 4.550 0.009 0.000 0.358 313 Y C -2.785 173.144 175.900 0.048 0.000 1.041 313 Y CA -3.193 54.932 58.100 0.042 0.000 1.184 313 Y CB 0.309 38.797 38.460 0.047 0.000 1.114 313 Y HN 0.045 nan 8.280 nan 0.000 0.650 314 P HA -0.017 nan 4.420 nan 0.000 0.260 314 P C -2.396 174.982 177.300 0.130 0.000 1.185 314 P CA -0.480 62.682 63.100 0.103 0.000 0.763 314 P CB 0.361 32.099 31.700 0.064 0.000 0.776 315 P HA 0.223 nan 4.420 nan 0.000 0.286 315 P C -0.351 177.027 177.300 0.131 0.000 1.261 315 P CA -0.383 62.799 63.100 0.137 0.000 0.821 315 P CB 1.483 33.264 31.700 0.136 0.000 1.013 316 N N 0.522 119.313 118.700 0.151 0.000 2.356 316 N HA 0.248 4.994 4.740 0.009 0.000 0.178 316 N C 0.166 175.794 175.510 0.196 0.000 1.075 316 N CA 0.043 53.191 53.050 0.163 0.000 0.889 316 N CB 0.307 38.896 38.487 0.170 0.000 0.999 316 N HN 0.490 nan 8.380 nan 0.000 0.464 317 A N 0.338 123.273 122.820 0.191 0.000 2.517 317 A HA 0.616 4.942 4.320 0.009 0.000 0.297 317 A C -1.421 176.182 177.584 0.031 0.000 1.050 317 A CA -0.481 51.618 52.037 0.104 0.000 0.694 317 A CB 1.342 20.517 19.000 0.291 0.000 1.277 317 A HN -0.106 nan 8.150 nan 0.000 0.400 318 V N 1.752 121.552 119.914 -0.190 0.000 2.540 318 V HA 0.634 4.760 4.120 0.009 0.000 0.302 318 V C -1.306 174.522 176.094 -0.443 0.000 1.035 318 V CA -0.293 61.899 62.300 -0.181 0.000 0.873 318 V CB 1.374 33.087 31.823 -0.183 0.000 0.992 318 V HN 0.720 nan 8.190 nan 0.000 0.428 319 F N 2.891 122.811 119.950 -0.050 0.000 2.496 319 F HA 0.428 4.962 4.527 0.011 0.000 0.341 319 F C -0.023 175.767 175.800 -0.016 0.000 1.134 319 F CA -0.573 57.436 58.000 0.016 0.000 0.968 319 F CB 1.273 40.305 39.000 0.054 0.000 1.205 319 F HN 0.556 nan 8.300 nan 0.000 0.436 320 H N 1.747 120.835 119.070 0.029 0.000 2.787 320 H HA 0.252 4.813 4.556 0.008 0.000 0.275 320 H C 0.862 176.137 175.328 -0.087 0.000 1.183 320 H CA -0.366 55.649 56.048 -0.054 0.000 1.290 320 H CB 0.961 30.665 29.762 -0.097 0.000 1.438 320 H HN 0.639 nan 8.280 nan 0.000 0.487 321 T N 1.218 115.462 114.554 -0.516 0.000 3.054 321 T HA 0.409 4.764 4.350 0.009 0.000 0.255 321 T C 0.945 175.305 174.700 -0.566 0.000 1.035 321 T CA 0.068 61.737 62.100 -0.719 0.000 0.941 321 T CB -0.061 68.225 68.868 -0.969 0.000 1.026 321 T HN 0.559 nan 8.240 nan 0.000 0.533 322 A N 0.435 122.884 122.820 -0.620 0.000 2.483 322 A HA 0.656 4.982 4.320 0.009 0.000 0.238 322 A C 0.924 178.315 177.584 -0.321 0.000 1.070 322 A CA 0.381 52.176 52.037 -0.403 0.000 0.770 322 A CB -0.591 18.267 19.000 -0.237 0.000 1.008 322 A HN 1.343 nan 8.150 nan 0.000 0.497 323 G N -0.369 108.337 108.800 -0.156 0.000 2.321 323 G HA2 0.517 4.483 3.960 0.009 0.000 0.298 323 G HA3 0.517 4.483 3.960 0.009 0.000 0.298 323 G C -0.933 173.948 174.900 -0.032 0.000 1.385 323 G CA -0.234 44.836 45.100 -0.050 0.000 0.856 323 G HN 1.818 nan 8.290 nan 0.000 0.584 324 I N -1.992 118.587 120.570 0.016 0.000 2.828 324 I HA 0.789 4.965 4.170 0.009 0.000 0.302 324 I C -0.429 175.623 176.117 -0.109 0.000 1.101 324 I CA -1.362 59.914 61.300 -0.040 0.000 1.031 324 I CB 2.297 40.278 38.000 -0.031 0.000 1.231 324 I HN 0.623 nan 8.210 nan 0.000 0.427 325 L N 3.211 124.340 121.223 -0.157 0.000 2.455 325 L HA 0.226 4.572 4.340 0.009 0.000 0.272 325 L C -0.812 175.917 176.870 -0.235 0.000 1.174 325 L CA 0.537 55.228 54.840 -0.250 0.000 0.869 325 L CB 0.476 42.431 42.059 -0.174 0.000 1.130 325 L HN 0.729 nan 8.230 nan 0.000 0.474 326 D N 3.870 124.050 120.400 -0.367 0.000 2.502 326 D HA 0.345 4.991 4.640 0.009 0.000 0.249 326 D C -1.436 174.765 176.300 -0.166 0.000 1.092 326 D CA -0.422 53.449 54.000 -0.215 0.000 0.839 326 D CB 1.288 42.002 40.800 -0.143 0.000 1.264 326 D HN 0.493 nan 8.370 nan 0.000 0.511 327 D N 2.764 123.118 120.400 -0.077 0.000 2.584 327 D HA 0.439 5.085 4.640 0.009 0.000 0.238 327 D C -1.582 174.712 176.300 -0.010 0.000 1.302 327 D CA -0.668 53.305 54.000 -0.045 0.000 0.884 327 D CB 0.365 41.130 40.800 -0.059 0.000 1.456 327 D HN 0.351 nan 8.370 nan 0.000 0.528 328 A N 1.298 124.129 122.820 0.018 0.000 2.402 328 A HA 0.592 4.918 4.320 0.009 0.000 0.291 328 A C 0.216 177.832 177.584 0.053 0.000 1.051 328 A CA -0.703 51.355 52.037 0.035 0.000 0.716 328 A CB 1.503 20.532 19.000 0.049 0.000 1.223 328 A HN 0.626 nan 8.150 nan 0.000 0.425 329 V N 1.841 121.778 119.914 0.039 0.000 3.096 329 V HA 0.220 4.346 4.120 0.009 0.000 0.306 329 V C 1.551 177.686 176.094 0.068 0.000 1.088 329 V CA 0.206 62.530 62.300 0.039 0.000 1.129 329 V CB -0.162 31.673 31.823 0.020 0.000 1.014 329 V HN 0.822 nan 8.190 nan 0.000 0.486 330 I N 0.473 121.088 120.570 0.075 0.000 2.194 330 I HA -0.221 3.955 4.170 0.009 0.000 0.246 330 I C 2.294 178.468 176.117 0.094 0.000 1.093 330 I CA 2.491 63.867 61.300 0.126 0.000 1.355 330 I CB -0.480 37.590 38.000 0.117 0.000 1.046 330 I HN 1.001 nan 8.210 nan 0.000 0.413 331 D N 0.452 120.889 120.400 0.061 0.000 2.263 331 D HA -0.174 4.472 4.640 0.009 0.000 0.208 331 D C 1.785 178.111 176.300 0.043 0.000 0.971 331 D CA 1.688 55.717 54.000 0.048 0.000 0.867 331 D CB 0.114 40.934 40.800 0.034 0.000 0.929 331 D HN 0.406 nan 8.370 nan 0.000 0.492 332 T N -2.360 112.222 114.554 0.046 0.000 3.085 332 T HA 0.172 4.527 4.350 0.009 0.000 0.264 332 T C 0.441 175.173 174.700 0.052 0.000 1.019 332 T CA -0.641 61.483 62.100 0.041 0.000 0.910 332 T CB -0.226 68.661 68.868 0.032 0.000 1.059 332 T HN 0.014 nan 8.240 nan 0.000 0.542 333 L N 4.558 125.824 121.223 0.071 0.000 2.515 333 L HA 0.429 4.775 4.340 0.009 0.000 0.281 333 L C 0.371 177.280 176.870 0.065 0.000 1.131 333 L CA -0.348 54.547 54.840 0.091 0.000 0.905 333 L CB -0.298 41.843 42.059 0.137 0.000 1.246 333 L HN 0.435 nan 8.230 nan 0.000 0.463 334 S N 5.799 121.538 115.700 0.065 0.000 2.610 334 S HA 0.519 4.995 4.470 0.009 0.000 0.273 334 S C -1.621 173.018 174.600 0.065 0.000 1.274 334 S CA -0.956 57.273 58.200 0.048 0.000 1.023 334 S CB 0.857 64.082 63.200 0.042 0.000 0.962 334 S HN 0.600 nan 8.310 nan 0.000 0.523 335 P HA -0.123 nan 4.420 nan 0.000 0.216 335 P C 0.842 178.206 177.300 0.107 0.000 1.150 335 P CA 1.288 64.414 63.100 0.044 0.000 0.837 335 P CB 0.041 31.741 31.700 0.001 0.000 0.786 336 E N 0.658 120.905 120.200 0.078 0.000 2.077 336 E HA -0.149 4.207 4.350 0.009 0.000 0.193 336 E C 2.372 179.027 176.600 0.092 0.000 0.989 336 E CA 1.949 58.395 56.400 0.076 0.000 0.800 336 E CB -1.074 28.655 29.700 0.048 0.000 0.746 336 E HN 0.391 nan 8.360 nan 0.000 0.452 337 S N 0.107 115.865 115.700 0.096 0.000 2.382 337 S HA -0.191 4.285 4.470 0.009 0.000 0.228 337 S C 2.010 176.682 174.600 0.120 0.000 1.027 337 S CA 0.896 59.150 58.200 0.090 0.000 0.991 337 S CB -0.649 62.601 63.200 0.084 0.000 0.823 337 S HN 0.327 nan 8.310 nan 0.000 0.469 338 F N 2.605 122.568 119.950 0.023 0.000 2.216 338 F HA 0.002 4.534 4.527 0.009 0.000 0.300 338 F C 2.439 178.257 175.800 0.030 0.000 1.085 338 F CA 1.552 59.567 58.000 0.026 0.000 1.326 338 F CB -0.105 38.892 39.000 -0.004 0.000 1.027 338 F HN 0.106 nan 8.300 nan 0.000 0.497 339 E N -0.353 119.951 120.200 0.174 0.000 2.076 339 E HA -0.100 4.256 4.350 0.009 0.000 0.190 339 E C 2.288 178.892 176.600 0.007 0.000 0.979 339 E CA 1.532 57.984 56.400 0.087 0.000 0.807 339 E CB -0.792 28.979 29.700 0.118 0.000 0.761 339 E HN 0.318 nan 8.360 nan 0.000 0.454 340 T N 1.229 115.795 114.554 0.020 0.000 2.788 340 T HA -0.091 4.265 4.350 0.009 0.000 0.268 340 T C 2.071 176.762 174.700 -0.015 0.000 1.044 340 T CA 1.076 63.180 62.100 0.007 0.000 1.139 340 T CB -0.098 68.779 68.868 0.015 0.000 0.867 340 T HN -0.038 nan 8.240 nan 0.000 0.454 341 V N 2.355 122.243 119.914 -0.044 0.000 2.379 341 V HA -0.119 4.007 4.120 0.009 0.000 0.245 341 V C 2.621 178.671 176.094 -0.074 0.000 1.044 341 V CA 1.708 63.984 62.300 -0.040 0.000 1.036 341 V CB -0.565 31.236 31.823 -0.036 0.000 0.664 341 V HN 0.543 nan 8.190 nan 0.000 0.453 342 R N 0.732 121.123 120.500 -0.182 0.000 2.161 342 R HA 0.085 4.431 4.340 0.009 0.000 0.213 342 R C 2.241 178.512 176.300 -0.048 0.000 1.055 342 R CA 1.169 57.175 56.100 -0.157 0.000 0.996 342 R CB -0.981 29.155 30.300 -0.274 0.000 0.901 342 R HN 0.359 nan 8.270 nan 0.000 0.456 343 G N 1.799 110.584 108.800 -0.026 0.000 2.672 343 G HA2 -0.403 3.563 3.960 0.009 0.000 0.218 343 G HA3 -0.403 3.563 3.960 0.009 0.000 0.218 343 G C 1.658 176.579 174.900 0.036 0.000 1.238 343 G CA 1.655 46.762 45.100 0.011 0.000 0.791 343 G HN 0.488 nan 8.290 nan 0.000 0.606 344 A N 0.141 122.985 122.820 0.040 0.000 1.898 344 A HA 0.045 4.370 4.320 0.009 0.000 0.216 344 A C 2.225 179.901 177.584 0.153 0.000 1.181 344 A CA 2.248 54.329 52.037 0.074 0.000 0.620 344 A CB -0.375 18.643 19.000 0.030 0.000 0.819 344 A HN 0.463 nan 8.150 nan 0.000 0.442 345 K N -0.500 119.964 120.400 0.107 0.000 1.974 345 K HA -0.036 4.290 4.320 0.009 0.000 0.211 345 K C 1.866 178.574 176.600 0.179 0.000 1.039 345 K CA 1.593 57.975 56.287 0.159 0.000 0.947 345 K CB -0.386 32.133 32.500 0.032 0.000 0.735 345 K HN 0.145 nan 8.250 nan 0.000 0.441 346 V N 1.054 121.002 119.914 0.058 0.000 2.237 346 V HA -0.339 3.787 4.120 0.009 0.000 0.245 346 V C 2.581 178.694 176.094 0.031 0.000 1.046 346 V CA 1.934 64.253 62.300 0.032 0.000 1.007 346 V CB -0.689 31.133 31.823 -0.002 0.000 0.638 346 V HN 0.568 nan 8.190 nan 0.000 0.445 347 C N 1.098 120.418 119.300 0.033 0.000 2.401 347 C HA -0.111 4.355 4.460 0.009 0.000 0.276 347 C C 2.970 177.968 174.990 0.013 0.000 1.233 347 C CA 0.869 59.905 59.018 0.030 0.000 1.753 347 C CB -1.824 25.936 27.740 0.034 0.000 2.029 347 C HN 0.731 nan 8.230 nan 0.000 0.478 348 G N 0.366 109.178 108.800 0.019 0.000 2.459 348 G HA2 -0.081 3.884 3.960 0.009 0.000 0.217 348 G HA3 -0.081 3.884 3.960 0.009 0.000 0.217 348 G C 1.889 176.601 174.900 -0.314 0.000 1.183 348 G CA 1.131 46.187 45.100 -0.074 0.000 0.776 348 G HN 0.632 nan 8.290 nan 0.000 0.552 349 A N 0.503 123.072 122.820 -0.418 0.000 1.930 349 A HA 0.019 4.345 4.320 0.009 0.000 0.217 349 A C 2.182 179.786 177.584 0.033 0.000 1.175 349 A CA 2.194 54.051 52.037 -0.301 0.000 0.627 349 A CB -0.346 18.578 19.000 -0.127 0.000 0.815 349 A HN 0.407 nan 8.150 nan 0.000 0.443 350 E N 0.092 120.308 120.200 0.028 0.000 2.106 350 E HA -0.060 4.296 4.350 0.009 0.000 0.192 350 E C 1.788 178.466 176.600 0.130 0.000 0.984 350 E CA 0.936 57.389 56.400 0.088 0.000 0.806 350 E CB -0.339 29.390 29.700 0.049 0.000 0.750 350 E HN 0.595 nan 8.360 nan 0.000 0.458 351 L N -0.195 121.070 121.223 0.070 0.000 2.109 351 L HA -0.086 4.260 4.340 0.009 0.000 0.207 351 L C 2.323 179.246 176.870 0.087 0.000 1.086 351 L CA 0.696 55.575 54.840 0.063 0.000 0.760 351 L CB -0.269 41.811 42.059 0.035 0.000 0.910 351 L HN 0.212 nan 8.230 nan 0.000 0.437 352 L N -1.051 120.238 121.223 0.111 0.000 2.141 352 L HA -0.238 4.108 4.340 0.009 0.000 0.209 352 L C 2.609 179.669 176.870 0.316 0.000 1.094 352 L CA 0.992 55.948 54.840 0.194 0.000 0.763 352 L CB -0.670 41.470 42.059 0.136 0.000 0.908 352 L HN 0.333 nan 8.230 nan 0.000 0.437 353 H N 0.323 119.514 119.070 0.203 0.000 2.353 353 H HA -0.172 4.389 4.556 0.009 0.000 0.300 353 H C 2.221 177.506 175.328 -0.072 0.000 1.090 353 H CA 1.891 57.907 56.048 -0.053 0.000 1.327 353 H CB 0.148 29.873 29.762 -0.062 0.000 1.383 353 H HN 0.349 nan 8.280 nan 0.000 0.508 354 Q N -0.331 119.406 119.800 -0.105 0.000 2.163 354 Q HA 0.067 4.413 4.340 0.009 0.000 0.198 354 Q C 2.265 178.208 176.000 -0.096 0.000 0.954 354 Q CA 0.942 56.650 55.803 -0.158 0.000 0.851 354 Q CB 0.294 29.012 28.738 -0.033 0.000 0.928 354 Q HN 0.441 nan 8.270 nan 0.000 0.459 355 L N 0.750 121.957 121.223 -0.026 0.000 2.465 355 L HA -0.016 4.329 4.340 0.009 0.000 0.224 355 L C 1.435 178.301 176.870 -0.007 0.000 1.145 355 L CA 0.944 55.782 54.840 -0.004 0.000 0.834 355 L CB -0.118 41.959 42.059 0.030 0.000 0.944 355 L HN 0.262 nan 8.230 nan 0.000 0.451 356 T N -4.495 110.042 114.554 -0.029 0.000 3.308 356 T HA 0.428 4.784 4.350 0.009 0.000 0.270 356 T C 1.081 175.719 174.700 -0.104 0.000 0.992 356 T CA 0.208 62.293 62.100 -0.026 0.000 0.931 356 T CB 0.806 69.702 68.868 0.047 0.000 1.142 356 T HN 0.129 nan 8.240 nan 0.000 0.525 357 A N 1.141 123.884 122.820 -0.129 0.000 2.021 357 A HA 0.178 4.504 4.320 0.009 0.000 0.216 357 A C 1.755 179.285 177.584 -0.090 0.000 1.163 357 A CA 0.541 52.486 52.037 -0.154 0.000 0.676 357 A CB -0.013 18.886 19.000 -0.170 0.000 0.818 357 A HN 0.507 nan 8.150 nan 0.000 0.453 358 D N -0.632 119.733 120.400 -0.058 0.000 2.398 358 D HA 0.209 4.854 4.640 0.009 0.000 0.210 358 D C -0.015 176.274 176.300 -0.019 0.000 1.094 358 D CA 0.054 54.032 54.000 -0.035 0.000 0.839 358 D CB 0.318 41.102 40.800 -0.027 0.000 0.963 358 D HN 0.377 nan 8.370 nan 0.000 0.506 359 I N 1.754 122.315 120.570 -0.015 0.000 2.278 359 I HA 0.070 4.246 4.170 0.009 0.000 0.296 359 I C 1.402 177.524 176.117 0.008 0.000 1.121 359 I CA -0.042 61.262 61.300 0.007 0.000 1.267 359 I CB 0.767 38.783 38.000 0.027 0.000 1.447 359 I HN -0.356 nan 8.210 nan 0.000 0.509 360 K N 3.960 124.366 120.400 0.010 0.000 2.288 360 K HA -0.020 4.306 4.320 0.009 0.000 0.201 360 K C 2.041 178.659 176.600 0.030 0.000 1.048 360 K CA 0.866 57.161 56.287 0.013 0.000 0.956 360 K CB 0.047 32.552 32.500 0.009 0.000 0.746 360 K HN 0.817 nan 8.250 nan 0.000 0.461 361 G N 1.462 110.286 108.800 0.040 0.000 2.509 361 G HA2 -0.146 3.820 3.960 0.009 0.000 0.218 361 G HA3 -0.146 3.820 3.960 0.009 0.000 0.218 361 G C 0.430 175.377 174.900 0.077 0.000 1.124 361 G CA -0.104 45.030 45.100 0.057 0.000 0.776 361 G HN 0.121 nan 8.290 nan 0.000 0.547 362 L N 2.086 123.352 121.223 0.072 0.000 2.500 362 L HA 0.211 4.557 4.340 0.009 0.000 0.272 362 L C 0.638 177.562 176.870 0.090 0.000 1.149 362 L CA -0.009 54.886 54.840 0.091 0.000 0.897 362 L CB 0.581 42.690 42.059 0.083 0.000 1.178 362 L HN 0.256 nan 8.230 nan 0.000 0.473 363 D N 3.790 124.264 120.400 0.124 0.000 2.540 363 D HA 0.267 4.912 4.640 0.009 0.000 0.229 363 D C -0.328 176.040 176.300 0.114 0.000 1.250 363 D CA 0.199 54.277 54.000 0.130 0.000 0.817 363 D CB 0.607 41.514 40.800 0.179 0.000 1.060 363 D HN 0.502 nan 8.370 nan 0.000 0.508 364 A N 0.327 123.181 122.820 0.057 0.000 2.456 364 A HA 0.557 4.883 4.320 0.009 0.000 0.288 364 A C -2.175 175.345 177.584 -0.107 0.000 1.042 364 A CA -0.725 51.235 52.037 -0.129 0.000 0.738 364 A CB 1.083 19.869 19.000 -0.358 0.000 1.266 364 A HN 0.123 nan 8.150 nan 0.000 0.407 365 F N 3.408 123.188 119.950 -0.283 0.000 2.646 365 F HA 0.531 5.062 4.527 0.007 0.000 0.364 365 F C -0.904 174.753 175.800 -0.238 0.000 1.137 365 F CA -0.449 57.419 58.000 -0.219 0.000 1.085 365 F CB 1.628 40.568 39.000 -0.101 0.000 1.331 365 F HN 0.371 nan 8.300 nan 0.000 0.472 366 V N 6.590 126.217 119.914 -0.477 0.000 2.370 366 V HA 0.435 4.561 4.120 0.009 0.000 0.283 366 V C -0.127 175.927 176.094 -0.066 0.000 1.023 366 V CA -0.686 61.450 62.300 -0.273 0.000 0.857 366 V CB 1.488 33.119 31.823 -0.320 0.000 0.985 366 V HN 0.505 nan 8.190 nan 0.000 0.443 367 L N 4.737 125.972 121.223 0.019 0.000 2.322 367 L HA 0.568 4.914 4.340 0.009 0.000 0.281 367 L C -0.916 176.085 176.870 0.219 0.000 1.014 367 L CA -0.399 54.538 54.840 0.161 0.000 0.815 367 L CB 1.684 43.807 42.059 0.106 0.000 1.247 367 L HN 0.448 nan 8.230 nan 0.000 0.421 368 F N 1.824 121.859 119.950 0.141 0.000 2.368 368 F HA 0.278 4.814 4.527 0.015 0.000 0.362 368 F C 0.904 176.806 175.800 0.169 0.000 1.137 368 F CA 0.205 58.362 58.000 0.263 0.000 1.161 368 F CB 1.234 40.306 39.000 0.120 0.000 1.265 368 F HN 0.433 nan 8.300 nan 0.000 0.530 369 S N 2.018 117.854 115.700 0.228 0.000 2.623 369 S HA 0.708 5.184 4.470 0.009 0.000 0.278 369 S C -0.230 174.444 174.600 0.124 0.000 1.148 369 S CA -0.405 57.839 58.200 0.073 0.000 1.028 369 S CB 1.306 64.481 63.200 -0.041 0.000 1.145 369 S HN 0.506 nan 8.310 nan 0.000 0.523 370 S N -0.571 115.118 115.700 -0.017 0.000 2.549 370 S HA 0.400 4.876 4.470 0.009 0.000 0.280 370 S C 0.336 174.884 174.600 -0.086 0.000 1.109 370 S CA -0.463 57.754 58.200 0.028 0.000 0.905 370 S CB 1.406 64.629 63.200 0.039 0.000 1.081 370 S HN 0.679 nan 8.310 nan 0.000 0.477 371 V N 4.246 124.079 119.914 -0.135 0.000 2.913 371 V HA -0.059 4.067 4.120 0.009 0.000 0.260 371 V C 2.367 178.374 176.094 -0.144 0.000 1.098 371 V CA 2.850 64.943 62.300 -0.345 0.000 1.121 371 V CB -1.109 30.357 31.823 -0.594 0.000 0.714 371 V HN 1.081 nan 8.190 nan 0.000 0.487 372 T N -2.441 112.113 114.554 0.000 0.000 2.833 372 T HA -0.067 4.288 4.350 0.009 0.000 0.269 372 T C 1.728 176.467 174.700 0.065 0.000 1.054 372 T CA 1.407 63.562 62.100 0.093 0.000 1.135 372 T CB -0.671 68.315 68.868 0.196 0.000 0.869 372 T HN 0.550 nan 8.240 nan 0.000 0.466 373 G N -0.252 108.544 108.800 -0.006 0.000 3.042 373 G HA2 0.263 4.229 3.960 0.009 0.000 0.212 373 G HA3 0.263 4.229 3.960 0.009 0.000 0.212 373 G C 1.117 176.038 174.900 0.035 0.000 1.166 373 G CA 0.571 45.675 45.100 0.008 0.000 0.767 373 G HN 0.552 nan 8.290 nan 0.000 0.546 374 T N -1.594 112.971 114.554 0.018 0.000 3.028 374 T HA 0.084 4.439 4.350 0.009 0.000 0.250 374 T C 1.541 176.411 174.700 0.283 0.000 0.979 374 T CA -0.087 62.050 62.100 0.062 0.000 1.004 374 T CB 0.175 68.990 68.868 -0.089 0.000 1.120 374 T HN 0.300 nan 8.240 nan 0.000 0.482 375 W N 1.737 123.072 121.300 0.059 0.000 2.798 375 W HA 0.620 5.282 4.660 0.002 0.000 0.260 375 W C 1.218 177.827 176.519 0.149 0.000 1.165 375 W CA 0.402 57.816 57.345 0.116 0.000 1.501 375 W CB -0.485 29.151 29.460 0.293 0.000 1.023 375 W HN 0.421 nan 8.180 nan 0.000 0.615 376 G N 1.322 110.333 108.800 0.352 0.000 2.576 376 G HA2 0.130 4.096 3.960 0.009 0.000 0.686 376 G HA3 0.130 4.096 3.960 0.009 0.000 0.686 376 G C -1.366 173.664 174.900 0.216 0.000 1.242 376 G CA -0.549 44.675 45.100 0.207 0.000 0.819 376 G HN 0.238 nan 8.290 nan 0.000 0.655 377 N N -0.676 118.092 118.700 0.113 0.000 2.929 377 N HA 0.678 5.424 4.740 0.009 0.000 0.245 377 N C 0.051 175.580 175.510 0.031 0.000 1.081 377 N CA 0.705 53.812 53.050 0.096 0.000 1.048 377 N CB 1.450 40.017 38.487 0.134 0.000 1.629 377 N HN 1.823 nan 8.380 nan 0.000 0.598 378 A N 1.683 124.502 122.820 -0.000 0.000 2.555 378 A HA 0.481 4.806 4.320 0.009 0.000 0.233 378 A C 1.582 179.162 177.584 -0.006 0.000 1.060 378 A CA 1.059 53.080 52.037 -0.027 0.000 0.759 378 A CB -0.655 18.324 19.000 -0.035 0.000 0.995 378 A HN 1.835 nan 8.150 nan 0.000 0.506 379 G N 0.276 109.071 108.800 -0.009 0.000 2.184 379 G HA2 -0.271 3.694 3.960 0.009 0.000 0.264 379 G HA3 -0.271 3.694 3.960 0.009 0.000 0.264 379 G C 0.290 175.211 174.900 0.034 0.000 0.975 379 G CA 0.852 45.958 45.100 0.011 0.000 0.642 379 G HN 0.973 nan 8.290 nan 0.000 0.536 380 Q N -0.181 119.652 119.800 0.055 0.000 2.318 380 Q HA 0.463 4.809 4.340 0.009 0.000 0.371 380 Q C 1.827 177.927 176.000 0.168 0.000 0.896 380 Q CA 0.122 55.993 55.803 0.113 0.000 1.134 380 Q CB 0.840 29.660 28.738 0.135 0.000 1.329 380 Q HN 0.375 nan 8.270 nan 0.000 0.413 381 G N 0.667 109.571 108.800 0.172 0.000 2.408 381 G HA2 -0.244 3.722 3.960 0.009 0.000 0.217 381 G HA3 -0.244 3.722 3.960 0.009 0.000 0.217 381 G C 1.306 176.460 174.900 0.424 0.000 1.150 381 G CA 0.983 46.257 45.100 0.290 0.000 0.776 381 G HN 0.473 nan 8.290 nan 0.000 0.542 382 A N -0.456 122.572 122.820 0.346 0.000 1.968 382 A HA 0.086 4.411 4.320 0.009 0.000 0.217 382 A C 2.188 179.839 177.584 0.111 0.000 1.169 382 A CA 1.381 53.562 52.037 0.238 0.000 0.638 382 A CB -0.510 18.592 19.000 0.170 0.000 0.812 382 A HN 0.388 nan 8.150 nan 0.000 0.446 383 Y N 0.505 120.819 120.300 0.023 0.000 2.263 383 Y HA 0.026 4.584 4.550 0.012 0.000 0.292 383 Y C 2.599 178.516 175.900 0.027 0.000 1.130 383 Y CA 0.707 58.805 58.100 -0.003 0.000 1.179 383 Y CB -0.404 38.061 38.460 0.007 0.000 0.998 383 Y HN 0.303 nan 8.280 nan 0.000 0.532 384 A N -0.144 122.756 122.820 0.133 0.000 1.929 384 A HA 0.001 4.326 4.320 0.009 0.000 0.216 384 A C 2.403 180.031 177.584 0.072 0.000 1.176 384 A CA 1.452 53.528 52.037 0.065 0.000 0.628 384 A CB -1.248 17.818 19.000 0.110 0.000 0.816 384 A HN 0.485 nan 8.150 nan 0.000 0.444 385 A N 0.111 123.020 122.820 0.148 0.000 1.877 385 A HA 0.165 4.490 4.320 0.009 0.000 0.216 385 A C 2.523 180.131 177.584 0.040 0.000 1.186 385 A CA 2.082 54.224 52.037 0.175 0.000 0.620 385 A CB -1.092 18.106 19.000 0.330 0.000 0.822 385 A HN 1.012 nan 8.150 nan 0.000 0.443 386 A N 0.231 123.003 122.820 -0.079 0.000 1.883 386 A HA -0.216 4.109 4.320 0.009 0.000 0.217 386 A C 2.000 179.511 177.584 -0.121 0.000 1.186 386 A CA 1.758 53.718 52.037 -0.129 0.000 0.624 386 A CB -0.690 18.200 19.000 -0.185 0.000 0.822 386 A HN 0.590 nan 8.150 nan 0.000 0.444 387 N N 0.224 118.801 118.700 -0.205 0.000 2.188 387 N HA -0.107 4.639 4.740 0.009 0.000 0.184 387 N C 1.978 177.444 175.510 -0.073 0.000 1.018 387 N CA 1.365 54.303 53.050 -0.186 0.000 0.858 387 N CB -0.445 37.855 38.487 -0.311 0.000 0.989 387 N HN 0.470 nan 8.380 nan 0.000 0.426 388 A N 1.335 124.139 122.820 -0.027 0.000 1.948 388 A HA -0.081 4.245 4.320 0.009 0.000 0.220 388 A C 2.376 179.974 177.584 0.024 0.000 1.177 388 A CA 1.984 54.037 52.037 0.027 0.000 0.636 388 A CB -0.699 18.360 19.000 0.098 0.000 0.815 388 A HN 0.342 nan 8.150 nan 0.000 0.449 389 A N -0.535 122.298 122.820 0.021 0.000 1.969 389 A HA 0.041 4.367 4.320 0.009 0.000 0.218 389 A C 2.131 179.718 177.584 0.005 0.000 1.169 389 A CA 1.304 53.352 52.037 0.019 0.000 0.635 389 A CB -0.497 18.518 19.000 0.024 0.000 0.810 389 A HN 0.482 nan 8.150 nan 0.000 0.445 390 L N -0.387 120.839 121.223 0.003 0.000 2.046 390 L HA -0.192 4.154 4.340 0.009 0.000 0.208 390 L C 2.050 178.928 176.870 0.013 0.000 1.077 390 L CA 1.432 56.286 54.840 0.023 0.000 0.747 390 L CB -0.678 41.404 42.059 0.039 0.000 0.896 390 L HN 0.328 nan 8.230 nan 0.000 0.432 391 D N 0.387 120.784 120.400 -0.005 0.000 2.097 391 D HA -0.175 4.471 4.640 0.009 0.000 0.195 391 D C 2.232 178.522 176.300 -0.016 0.000 0.989 391 D CA 1.554 55.545 54.000 -0.016 0.000 0.827 391 D CB -0.156 40.629 40.800 -0.025 0.000 0.966 391 D HN 0.311 nan 8.370 nan 0.000 0.456 392 A N 0.880 123.691 122.820 -0.015 0.000 1.933 392 A HA -0.146 4.179 4.320 0.009 0.000 0.218 392 A C 2.181 179.737 177.584 -0.048 0.000 1.175 392 A CA 1.103 53.125 52.037 -0.026 0.000 0.628 392 A CB -0.744 18.246 19.000 -0.017 0.000 0.814 392 A HN 0.248 nan 8.150 nan 0.000 0.444 393 L N -0.299 120.891 121.223 -0.054 0.000 2.083 393 L HA -0.067 4.278 4.340 0.009 0.000 0.209 393 L C 2.604 179.422 176.870 -0.088 0.000 1.083 393 L CA 2.127 56.900 54.840 -0.110 0.000 0.752 393 L CB -0.712 41.293 42.059 -0.090 0.000 0.899 393 L HN 0.339 nan 8.230 nan 0.000 0.433 394 A N -0.564 122.244 122.820 -0.020 0.000 1.858 394 A HA -0.222 4.104 4.320 0.009 0.000 0.216 394 A C 2.141 179.708 177.584 -0.029 0.000 1.190 394 A CA 1.833 53.871 52.037 0.002 0.000 0.617 394 A CB -0.692 18.316 19.000 0.012 0.000 0.827 394 A HN 0.610 nan 8.150 nan 0.000 0.443 395 E N -0.405 119.776 120.200 -0.033 0.000 2.038 395 E HA -0.222 4.134 4.350 0.009 0.000 0.195 395 E C 2.322 178.896 176.600 -0.043 0.000 1.000 395 E CA 1.309 57.690 56.400 -0.033 0.000 0.803 395 E CB -0.276 29.407 29.700 -0.028 0.000 0.750 395 E HN 0.520 nan 8.360 nan 0.000 0.448 396 R N 0.607 121.070 120.500 -0.060 0.000 2.096 396 R HA -0.087 4.258 4.340 0.009 0.000 0.235 396 R C 2.453 178.717 176.300 -0.060 0.000 1.127 396 R CA 0.956 57.017 56.100 -0.065 0.000 0.968 396 R CB -0.198 30.048 30.300 -0.089 0.000 0.861 396 R HN 0.113 nan 8.270 nan 0.000 0.440 397 R N 0.112 120.563 120.500 -0.082 0.000 2.062 397 R HA -0.032 4.314 4.340 0.009 0.000 0.231 397 R C 2.438 178.711 176.300 -0.045 0.000 1.136 397 R CA 1.078 57.140 56.100 -0.063 0.000 0.948 397 R CB -0.125 30.104 30.300 -0.119 0.000 0.845 397 R HN 0.093 nan 8.270 nan 0.000 0.430 398 R N 0.435 120.910 120.500 -0.040 0.000 2.080 398 R HA -0.080 4.266 4.340 0.009 0.000 0.236 398 R C 2.149 178.435 176.300 -0.023 0.000 1.137 398 R CA 1.596 57.679 56.100 -0.028 0.000 0.943 398 R CB -0.920 29.367 30.300 -0.021 0.000 0.846 398 R HN 0.237 nan 8.270 nan 0.000 0.431 399 A N 0.742 123.548 122.820 -0.024 0.000 2.234 399 A HA -0.024 4.302 4.320 0.009 0.000 0.216 399 A C 1.840 179.413 177.584 -0.019 0.000 1.167 399 A CA 1.599 53.623 52.037 -0.021 0.000 0.698 399 A CB -0.275 18.711 19.000 -0.024 0.000 0.779 399 A HN 0.377 nan 8.150 nan 0.000 0.475 400 A N -2.150 120.658 122.820 -0.020 0.000 2.430 400 A HA 0.470 4.796 4.320 0.009 0.000 0.243 400 A C 1.564 179.136 177.584 -0.020 0.000 1.254 400 A CA 0.929 52.956 52.037 -0.016 0.000 0.914 400 A CB -0.585 18.410 19.000 -0.007 0.000 0.998 400 A HN 1.786 nan 8.150 nan 0.000 0.515 401 G N -0.823 107.964 108.800 -0.021 0.000 2.136 401 G HA2 -0.198 3.768 3.960 0.009 0.000 0.242 401 G HA3 -0.198 3.768 3.960 0.009 0.000 0.242 401 G C -0.089 174.794 174.900 -0.029 0.000 0.989 401 G CA 0.425 45.512 45.100 -0.020 0.000 0.682 401 G HN 0.464 nan 8.290 nan 0.000 0.522 402 L N 1.599 122.797 121.223 -0.042 0.000 2.334 402 L HA 0.540 4.886 4.340 0.009 0.000 0.276 402 L C -1.646 175.185 176.870 -0.065 0.000 1.014 402 L CA -2.565 52.234 54.840 -0.068 0.000 0.815 402 L CB 2.096 44.093 42.059 -0.104 0.000 1.268 402 L HN -0.080 nan 8.230 nan 0.000 0.428 403 P HA 0.295 nan 4.420 nan 0.000 0.269 403 P C -1.115 176.181 177.300 -0.006 0.000 1.209 403 P CA -0.079 63.011 63.100 -0.016 0.000 0.776 403 P CB 1.462 33.171 31.700 0.015 0.000 0.876 404 A N 1.611 124.451 122.820 0.034 0.000 2.594 404 A HA 0.581 4.906 4.320 0.009 0.000 0.301 404 A C -1.118 176.487 177.584 0.037 0.000 1.022 404 A CA -0.471 51.635 52.037 0.115 0.000 0.738 404 A CB 0.474 19.524 19.000 0.082 0.000 1.263 404 A HN 0.434 nan 8.150 nan 0.000 0.409 405 T N 1.193 115.761 114.554 0.024 0.000 2.971 405 T HA 0.674 5.029 4.350 0.009 0.000 0.304 405 T C -0.738 173.933 174.700 -0.049 0.000 1.038 405 T CA -0.321 61.750 62.100 -0.047 0.000 1.007 405 T CB 1.672 70.474 68.868 -0.110 0.000 1.055 405 T HN 1.248 nan 8.240 nan 0.000 0.451 406 S N 2.302 117.960 115.700 -0.069 0.000 2.659 406 S HA 0.644 5.120 4.470 0.009 0.000 0.312 406 S C -0.739 173.756 174.600 -0.175 0.000 1.114 406 S CA -0.521 57.630 58.200 -0.082 0.000 1.063 406 S CB 0.458 63.634 63.200 -0.041 0.000 0.996 406 S HN 0.517 nan 8.310 nan 0.000 0.478 407 V N 4.431 124.182 119.914 -0.271 0.000 2.370 407 V HA 0.657 4.783 4.120 0.009 0.000 0.283 407 V C 0.485 176.238 176.094 -0.568 0.000 1.023 407 V CA -0.840 61.138 62.300 -0.537 0.000 0.857 407 V CB 1.180 32.456 31.823 -0.913 0.000 0.985 407 V HN 0.999 nan 8.190 nan 0.000 0.443 408 A N 5.595 128.132 122.820 -0.472 0.000 2.807 408 A HA 0.444 4.770 4.320 0.009 0.000 0.307 408 A C -0.354 177.007 177.584 -0.372 0.000 1.532 408 A CA -0.470 51.369 52.037 -0.331 0.000 1.215 408 A CB -0.362 18.460 19.000 -0.296 0.000 1.127 408 A HN 0.804 nan 8.150 nan 0.000 0.543 409 W N 1.486 122.771 121.300 -0.025 0.000 2.112 409 W HA 0.429 5.101 4.660 0.020 0.000 0.349 409 W C 1.091 177.589 176.519 -0.035 0.000 1.289 409 W CA 0.919 58.297 57.345 0.056 0.000 1.256 409 W CB 0.738 30.428 29.460 0.383 0.000 1.148 409 W HN 0.738 nan 8.180 nan 0.000 0.590 410 G N 0.180 109.101 108.800 0.203 0.000 2.890 410 G HA2 0.555 4.520 3.960 0.009 0.000 0.189 410 G HA3 0.555 4.520 3.960 0.009 0.000 0.189 410 G C -1.036 173.947 174.900 0.139 0.000 1.342 410 G CA -1.141 43.959 45.100 -0.000 0.000 1.026 410 G HN 0.399 nan 8.290 nan 0.000 0.579 411 L N 0.020 121.252 121.223 0.016 0.000 2.455 411 L HA 0.151 4.496 4.340 0.009 0.000 0.272 411 L C -0.641 176.267 176.870 0.064 0.000 1.174 411 L CA -0.188 54.692 54.840 0.066 0.000 0.869 411 L CB 0.534 42.584 42.059 -0.016 0.000 1.130 411 L HN 0.384 nan 8.230 nan 0.000 0.474 412 W N 2.696 123.963 121.300 -0.056 0.000 2.331 412 W HA 0.432 5.096 4.660 0.007 0.000 0.306 412 W C 0.913 177.389 176.519 -0.072 0.000 1.162 412 W CA -0.089 57.209 57.345 -0.077 0.000 1.232 412 W CB 1.198 30.593 29.460 -0.108 0.000 1.235 412 W HN 0.556 nan 8.180 nan 0.000 0.479 413 G N 1.934 110.738 108.800 0.005 0.000 2.825 413 G HA2 0.414 4.380 3.960 0.009 0.000 0.241 413 G HA3 0.414 4.380 3.960 0.009 0.000 0.241 413 G C 0.443 175.392 174.900 0.082 0.000 1.239 413 G CA 0.564 45.671 45.100 0.012 0.000 0.859 413 G HN 1.194 nan 8.290 nan 0.000 0.598 414 G N -1.417 107.410 108.800 0.045 0.000 2.592 414 G HA2 0.429 4.395 3.960 0.009 0.000 0.684 414 G HA3 0.429 4.395 3.960 0.009 0.000 0.684 414 G C 0.484 175.404 174.900 0.032 0.000 1.291 414 G CA -0.060 45.065 45.100 0.042 0.000 0.891 414 G HN 1.901 nan 8.290 nan 0.000 0.544 415 G N -1.116 107.697 108.800 0.021 0.000 2.647 415 G HA2 0.563 4.528 3.960 0.009 0.000 0.234 415 G HA3 0.563 4.528 3.960 0.009 0.000 0.234 415 G C 1.695 176.594 174.900 -0.000 0.000 1.252 415 G CA 1.894 46.997 45.100 0.006 0.000 0.846 415 G HN 2.658 nan 8.290 nan 0.000 0.589 416 G N 0.463 109.253 108.800 -0.017 0.000 2.454 416 G HA2 -0.269 3.696 3.960 0.009 0.000 0.225 416 G HA3 -0.269 3.696 3.960 0.009 0.000 0.225 416 G C 0.713 175.586 174.900 -0.044 0.000 1.138 416 G CA 0.517 45.595 45.100 -0.037 0.000 0.667 416 G HN 0.703 nan 8.290 nan 0.000 0.512 417 M N 2.525 122.109 119.600 -0.026 0.000 2.341 417 M HA 0.608 5.094 4.480 0.009 0.000 0.336 417 M C 0.880 177.160 176.300 -0.034 0.000 1.489 417 M CA -0.603 54.677 55.300 -0.032 0.000 1.278 417 M CB -0.168 32.448 32.600 0.026 0.000 1.657 417 M HN 0.696 nan 8.290 nan 0.000 0.455 418 A N 3.611 126.397 122.820 -0.057 0.000 2.450 418 A HA 0.637 4.962 4.320 0.009 0.000 0.255 418 A C 0.282 177.833 177.584 -0.056 0.000 1.096 418 A CA -0.325 51.680 52.037 -0.055 0.000 0.778 418 A CB 0.103 19.063 19.000 -0.066 0.000 1.031 418 A HN 0.864 nan 8.150 nan 0.000 0.494 419 A N 2.322 125.116 122.820 -0.044 0.000 2.350 419 A HA 0.847 5.173 4.320 0.009 0.000 0.324 419 A C 0.424 177.979 177.584 -0.048 0.000 1.118 419 A CA 0.064 52.075 52.037 -0.043 0.000 0.783 419 A CB 1.370 20.355 19.000 -0.024 0.000 1.236 419 A HN 1.655 nan 8.150 nan 0.000 0.457 420 G N -0.698 108.068 108.800 -0.057 0.000 3.217 420 G HA2 0.567 4.533 3.960 0.009 0.000 0.213 420 G HA3 0.567 4.533 3.960 0.009 0.000 0.213 420 G C 1.003 175.879 174.900 -0.041 0.000 1.294 420 G CA 0.298 45.365 45.100 -0.053 0.000 0.987 420 G HN 1.362 nan 8.290 nan 0.000 0.584 421 A N -0.754 122.043 122.820 -0.038 0.000 1.917 421 A HA 0.055 4.380 4.320 0.009 0.000 0.219 421 A C 2.527 180.097 177.584 -0.023 0.000 1.182 421 A CA 2.718 54.739 52.037 -0.027 0.000 0.633 421 A CB -1.219 17.767 19.000 -0.022 0.000 0.819 421 A HN 1.194 nan 8.150 nan 0.000 0.448 422 G N -0.567 108.214 108.800 -0.033 0.000 2.421 422 G HA2 -0.175 3.790 3.960 0.009 0.000 0.216 422 G HA3 -0.175 3.790 3.960 0.009 0.000 0.216 422 G C 1.346 176.244 174.900 -0.003 0.000 1.171 422 G CA 1.225 46.314 45.100 -0.018 0.000 0.775 422 G HN 0.526 nan 8.290 nan 0.000 0.543 423 E N 0.780 120.970 120.200 -0.017 0.000 2.106 423 E HA -0.019 4.336 4.350 0.009 0.000 0.192 423 E C 2.378 178.979 176.600 0.002 0.000 0.984 423 E CA 0.944 57.344 56.400 0.000 0.000 0.806 423 E CB -0.250 29.444 29.700 -0.010 0.000 0.750 423 E HN 0.603 nan 8.360 nan 0.000 0.458 424 E N 0.066 120.261 120.200 -0.008 0.000 2.118 424 E HA -0.187 4.169 4.350 0.009 0.000 0.195 424 E C 2.005 178.603 176.600 -0.004 0.000 0.992 424 E CA 1.244 57.639 56.400 -0.008 0.000 0.804 424 E CB -0.126 29.566 29.700 -0.014 0.000 0.741 424 E HN 0.119 nan 8.360 nan 0.000 0.458 425 S N 0.400 116.100 115.700 0.000 0.000 2.371 425 S HA -0.060 4.416 4.470 0.009 0.000 0.224 425 S C 1.979 176.589 174.600 0.017 0.000 1.029 425 S CA 0.554 58.755 58.200 0.000 0.000 0.978 425 S CB -0.097 63.104 63.200 0.001 0.000 0.833 425 S HN 0.165 nan 8.310 nan 0.000 0.466 426 L N 1.005 122.255 121.223 0.046 0.000 2.131 426 L HA -0.059 4.287 4.340 0.009 0.000 0.210 426 L C 2.861 179.773 176.870 0.070 0.000 1.092 426 L CA 1.279 56.176 54.840 0.094 0.000 0.759 426 L CB -0.661 41.454 42.059 0.092 0.000 0.903 426 L HN 0.373 nan 8.230 nan 0.000 0.435 427 S N -0.299 115.418 115.700 0.028 0.000 2.343 427 S HA -0.163 4.313 4.470 0.009 0.000 0.219 427 S C 2.218 176.823 174.600 0.009 0.000 1.033 427 S CA 1.113 59.318 58.200 0.008 0.000 1.014 427 S CB -0.036 63.162 63.200 -0.004 0.000 0.915 427 S HN 0.283 nan 8.310 nan 0.000 0.435 428 R N 0.981 121.481 120.500 0.000 0.000 2.096 428 R HA 0.076 4.421 4.340 0.009 0.000 0.235 428 R C 2.311 178.601 176.300 -0.016 0.000 1.127 428 R CA 1.076 57.169 56.100 -0.011 0.000 0.968 428 R CB -0.771 29.516 30.300 -0.021 0.000 0.861 428 R HN 0.481 nan 8.270 nan 0.000 0.440 429 R N -0.680 119.809 120.500 -0.017 0.000 2.293 429 R HA -0.060 4.285 4.340 0.009 0.000 0.219 429 R C 1.100 177.452 176.300 0.088 0.000 1.091 429 R CA 0.960 57.015 56.100 -0.074 0.000 1.004 429 R CB 0.063 30.249 30.300 -0.190 0.000 0.865 429 R HN 0.489 nan 8.270 nan 0.000 0.469 430 G N -0.581 108.288 108.800 0.116 0.000 2.227 430 G HA2 -0.155 3.811 3.960 0.009 0.000 0.168 430 G HA3 -0.155 3.811 3.960 0.009 0.000 0.168 430 G C -0.037 174.859 174.900 -0.007 0.000 1.006 430 G CA -0.759 44.398 45.100 0.095 0.000 0.684 430 G HN 0.044 nan 8.290 nan 0.000 0.489 431 L N 0.935 122.159 121.223 0.001 0.000 2.371 431 L HA 0.594 4.939 4.340 0.009 0.000 0.272 431 L C 0.884 177.678 176.870 -0.126 0.000 1.124 431 L CA -0.353 54.411 54.840 -0.125 0.000 0.816 431 L CB 0.900 42.907 42.059 -0.087 0.000 1.129 431 L HN 0.114 nan 8.230 nan 0.000 0.448 432 R N 1.637 122.016 120.500 -0.202 0.000 2.589 432 R HA 0.551 4.897 4.340 0.009 0.000 0.293 432 R C -0.439 175.729 176.300 -0.219 0.000 0.963 432 R CA -0.800 55.195 56.100 -0.176 0.000 0.905 432 R CB 1.827 32.023 30.300 -0.173 0.000 1.144 432 R HN 0.721 nan 8.270 nan 0.000 0.459 433 A N 4.446 127.178 122.820 -0.147 0.000 2.476 433 A HA 0.131 4.457 4.320 0.009 0.000 0.275 433 A C 0.330 177.786 177.584 -0.215 0.000 1.133 433 A CA 0.069 52.021 52.037 -0.142 0.000 0.797 433 A CB -0.144 18.817 19.000 -0.065 0.000 1.081 433 A HN 0.657 nan 8.150 nan 0.000 0.510 434 M N 2.053 121.448 119.600 -0.342 0.000 2.243 434 M HA 0.058 4.543 4.480 0.009 0.000 0.341 434 M C 0.362 176.527 176.300 -0.224 0.000 1.130 434 M CA -0.024 55.024 55.300 -0.420 0.000 1.162 434 M CB 0.247 32.493 32.600 -0.589 0.000 1.497 434 M HN 0.815 nan 8.290 nan 0.000 0.456 435 D N 3.461 123.839 120.400 -0.035 0.000 2.417 435 D HA 0.094 4.740 4.640 0.009 0.000 0.250 435 D C -1.885 174.340 176.300 -0.125 0.000 1.166 435 D CA -1.227 52.758 54.000 -0.024 0.000 0.881 435 D CB 1.043 41.880 40.800 0.061 0.000 1.164 435 D HN 0.200 nan 8.370 nan 0.000 0.467 436 P HA -0.224 nan 4.420 nan 0.000 0.216 436 P C 0.650 177.880 177.300 -0.116 0.000 1.167 436 P CA 1.283 64.301 63.100 -0.137 0.000 0.914 436 P CB 0.141 31.877 31.700 0.060 0.000 0.793 437 D N -1.135 119.247 120.400 -0.029 0.000 2.117 437 D HA -0.126 4.520 4.640 0.009 0.000 0.197 437 D C 1.999 178.298 176.300 -0.001 0.000 0.987 437 D CA 1.635 55.634 54.000 -0.002 0.000 0.829 437 D CB -0.651 40.154 40.800 0.008 0.000 0.961 437 D HN 0.087 nan 8.370 nan 0.000 0.460 438 A N 1.455 124.280 122.820 0.007 0.000 1.883 438 A HA -0.100 4.226 4.320 0.009 0.000 0.217 438 A C 2.383 180.016 177.584 0.081 0.000 1.186 438 A CA 2.348 54.408 52.037 0.040 0.000 0.624 438 A CB -0.746 18.318 19.000 0.107 0.000 0.822 438 A HN 0.244 nan 8.150 nan 0.000 0.444 439 A N -0.604 122.213 122.820 -0.005 0.000 1.908 439 A HA -0.060 4.266 4.320 0.009 0.000 0.218 439 A C 2.236 179.862 177.584 0.069 0.000 1.181 439 A CA 1.945 53.938 52.037 -0.075 0.000 0.627 439 A CB -1.000 17.422 19.000 -0.963 0.000 0.818 439 A HN 0.435 nan 8.150 nan 0.000 0.445 440 V N 0.639 120.560 119.914 0.010 0.000 2.407 440 V HA -0.236 3.889 4.120 0.009 0.000 0.248 440 V C 2.133 178.327 176.094 0.166 0.000 1.055 440 V CA 2.223 64.607 62.300 0.140 0.000 1.049 440 V CB -0.796 31.090 31.823 0.106 0.000 0.662 440 V HN 0.520 nan 8.190 nan 0.000 0.455 441 D N 0.653 121.120 120.400 0.110 0.000 2.117 441 D HA -0.143 4.503 4.640 0.009 0.000 0.197 441 D C 2.255 178.625 176.300 0.116 0.000 0.987 441 D CA 1.677 55.732 54.000 0.091 0.000 0.829 441 D CB -0.336 40.483 40.800 0.033 0.000 0.961 441 D HN 0.450 nan 8.370 nan 0.000 0.460 442 A N 0.819 123.729 122.820 0.150 0.000 1.940 442 A HA -0.158 4.168 4.320 0.009 0.000 0.219 442 A C 2.151 179.839 177.584 0.174 0.000 1.176 442 A CA 1.039 53.166 52.037 0.150 0.000 0.631 442 A CB -0.625 18.515 19.000 0.233 0.000 0.814 442 A HN 0.239 nan 8.150 nan 0.000 0.446 443 L N -0.103 121.310 121.223 0.317 0.000 1.988 443 L HA -0.086 4.259 4.340 0.009 0.000 0.207 443 L C 2.286 179.273 176.870 0.195 0.000 1.071 443 L CA 1.785 56.807 54.840 0.304 0.000 0.744 443 L CB -0.618 41.707 42.059 0.443 0.000 0.893 443 L HN 0.398 nan 8.230 nan 0.000 0.433 444 L N -0.539 120.815 121.223 0.219 0.000 2.127 444 L HA -0.152 4.194 4.340 0.009 0.000 0.211 444 L C 2.496 179.475 176.870 0.182 0.000 1.089 444 L CA 1.242 56.226 54.840 0.240 0.000 0.757 444 L CB -1.502 40.698 42.059 0.235 0.000 0.899 444 L HN 0.516 nan 8.230 nan 0.000 0.434 445 G N -0.412 108.461 108.800 0.122 0.000 2.402 445 G HA2 -0.181 3.785 3.960 0.009 0.000 0.216 445 G HA3 -0.181 3.785 3.960 0.009 0.000 0.216 445 G C 1.796 176.729 174.900 0.054 0.000 1.162 445 G CA 0.733 45.878 45.100 0.075 0.000 0.777 445 G HN 0.452 nan 8.290 nan 0.000 0.539 446 A N 0.622 123.462 122.820 0.034 0.000 1.902 446 A HA 0.070 4.396 4.320 0.009 0.000 0.217 446 A C 2.430 180.012 177.584 -0.003 0.000 1.181 446 A CA 1.679 53.710 52.037 -0.010 0.000 0.623 446 A CB -0.350 18.613 19.000 -0.063 0.000 0.818 446 A HN 0.373 nan 8.150 nan 0.000 0.443 447 M N -0.523 119.086 119.600 0.015 0.000 2.296 447 M HA -0.078 4.408 4.480 0.009 0.000 0.265 447 M C 2.185 178.531 176.300 0.077 0.000 1.064 447 M CA 1.128 56.410 55.300 -0.029 0.000 1.109 447 M CB -0.370 32.150 32.600 -0.132 0.000 1.396 447 M HN 0.531 nan 8.290 nan 0.000 0.430 448 G N 0.281 109.163 108.800 0.136 0.000 2.404 448 G HA2 -0.169 3.796 3.960 0.009 0.000 0.215 448 G HA3 -0.169 3.796 3.960 0.009 0.000 0.215 448 G C 1.565 176.519 174.900 0.091 0.000 1.174 448 G CA 0.325 45.517 45.100 0.154 0.000 0.780 448 G HN 0.378 nan 8.290 nan 0.000 0.537 449 R N -0.026 120.505 120.500 0.052 0.000 2.241 449 R HA -0.001 4.345 4.340 0.009 0.000 0.224 449 R C 0.697 177.010 176.300 0.023 0.000 1.101 449 R CA 0.551 56.667 56.100 0.028 0.000 0.995 449 R CB -0.264 30.041 30.300 0.008 0.000 0.870 449 R HN 0.346 nan 8.270 nan 0.000 0.463 450 N N 1.509 120.223 118.700 0.023 0.000 2.783 450 N HA -0.142 4.604 4.740 0.009 0.000 0.247 450 N C -1.198 174.305 175.510 -0.012 0.000 1.089 450 N CA 0.420 53.476 53.050 0.008 0.000 0.690 450 N CB -0.596 37.907 38.487 0.026 0.000 0.991 450 N HN 0.259 nan 8.380 nan 0.000 0.552 451 D N -0.252 120.133 120.400 -0.026 0.000 2.378 451 D HA 0.061 4.706 4.640 0.009 0.000 0.238 451 D C 1.454 177.729 176.300 -0.043 0.000 1.180 451 D CA -0.099 53.879 54.000 -0.037 0.000 0.895 451 D CB 1.498 42.264 40.800 -0.056 0.000 1.192 451 D HN -0.060 nan 8.370 nan 0.000 0.438 452 V N 0.227 120.119 119.914 -0.038 0.000 2.599 452 V HA 0.028 4.154 4.120 0.009 0.000 0.237 452 V C 0.645 176.710 176.094 -0.049 0.000 1.081 452 V CA 0.790 63.069 62.300 -0.034 0.000 1.107 452 V CB 0.568 32.377 31.823 -0.023 0.000 0.808 452 V HN 0.606 nan 8.190 nan 0.000 0.486 453 C N -0.072 119.196 119.300 -0.054 0.000 2.608 453 C HA 0.823 5.289 4.460 0.009 0.000 0.325 453 C C -0.657 174.284 174.990 -0.081 0.000 1.147 453 C CA -0.743 58.230 59.018 -0.074 0.000 1.359 453 C CB 1.252 28.958 27.740 -0.056 0.000 1.912 453 C HN 0.222 nan 8.230 nan 0.000 0.466 454 V N 2.880 122.719 119.914 -0.126 0.000 3.048 454 V HA 0.690 4.816 4.120 0.009 0.000 0.303 454 V C -0.722 175.261 176.094 -0.185 0.000 1.214 454 V CA 0.042 62.272 62.300 -0.116 0.000 0.984 454 V CB 2.784 34.535 31.823 -0.120 0.000 1.054 454 V HN 0.906 nan 8.190 nan 0.000 0.430 455 T N 4.903 119.395 114.554 -0.103 0.000 2.756 455 T HA 0.540 4.895 4.350 0.009 0.000 0.290 455 T C -0.599 174.047 174.700 -0.089 0.000 0.985 455 T CA -0.209 61.785 62.100 -0.177 0.000 0.955 455 T CB 1.141 69.921 68.868 -0.147 0.000 0.930 455 T HN 0.558 nan 8.240 nan 0.000 0.451 456 V N 5.282 125.029 119.914 -0.278 0.000 2.293 456 V HA 0.509 4.634 4.120 0.009 0.000 0.275 456 V C -0.276 175.763 176.094 -0.092 0.000 1.021 456 V CA -0.498 61.721 62.300 -0.134 0.000 0.815 456 V CB 0.763 32.362 31.823 -0.373 0.000 1.025 456 V HN 0.703 nan 8.190 nan 0.000 0.448 457 V N 2.908 122.825 119.914 0.005 0.000 2.971 457 V HA 0.494 4.620 4.120 0.009 0.000 0.309 457 V C -1.040 174.824 176.094 -0.382 0.000 1.130 457 V CA -0.820 61.333 62.300 -0.245 0.000 0.964 457 V CB 2.666 34.230 31.823 -0.432 0.000 1.029 457 V HN 0.768 nan 8.190 nan 0.000 0.427 458 D N 2.357 122.286 120.400 -0.785 0.000 2.392 458 D HA 0.614 5.260 4.640 0.009 0.000 0.228 458 D C -0.947 175.024 176.300 -0.547 0.000 1.074 458 D CA -0.013 53.396 54.000 -0.985 0.000 0.838 458 D CB 1.428 41.352 40.800 -1.460 0.000 1.067 458 D HN 0.343 nan 8.370 nan 0.000 0.511 459 V N 2.963 122.588 119.914 -0.482 0.000 2.709 459 V HA 0.303 4.428 4.120 0.009 0.000 0.308 459 V C -0.179 175.602 176.094 -0.522 0.000 1.062 459 V CA -1.090 60.833 62.300 -0.629 0.000 0.901 459 V CB 1.899 32.983 31.823 -1.231 0.000 1.003 459 V HN 0.458 nan 8.190 nan 0.000 0.425 460 D N 2.598 122.816 120.400 -0.303 0.000 2.558 460 D HA 0.149 4.795 4.640 0.009 0.000 0.221 460 D C 0.853 177.146 176.300 -0.011 0.000 1.143 460 D CA -0.228 53.712 54.000 -0.101 0.000 1.010 460 D CB 0.105 40.890 40.800 -0.025 0.000 1.068 460 D HN 0.594 nan 8.370 nan 0.000 0.511 461 W N 1.328 122.652 121.300 0.041 0.000 2.321 461 W HA -0.159 4.505 4.660 0.006 0.000 0.285 461 W C 1.706 178.254 176.519 0.048 0.000 1.213 461 W CA 0.118 57.486 57.345 0.038 0.000 1.205 461 W CB 0.195 29.674 29.460 0.032 0.000 1.134 461 W HN 0.327 nan 8.180 nan 0.000 0.549 462 E N -0.102 120.256 120.200 0.263 0.000 2.485 462 E HA -0.061 4.295 4.350 0.009 0.000 0.194 462 E C 1.607 178.275 176.600 0.114 0.000 1.098 462 E CA 0.769 57.265 56.400 0.160 0.000 0.878 462 E CB -0.031 29.740 29.700 0.118 0.000 0.939 462 E HN 0.479 nan 8.360 nan 0.000 0.503 463 R N -1.573 119.006 120.500 0.132 0.000 2.676 463 R HA 0.087 4.433 4.340 0.009 0.000 0.241 463 R C 1.347 177.694 176.300 0.079 0.000 0.964 463 R CA -0.100 56.046 56.100 0.077 0.000 1.054 463 R CB 0.075 30.407 30.300 0.053 0.000 1.603 463 R HN 0.029 nan 8.270 nan 0.000 0.577 464 F N 1.225 121.159 119.950 -0.026 0.000 2.164 464 F HA 0.255 4.789 4.527 0.011 0.000 0.287 464 F C 2.101 177.850 175.800 -0.085 0.000 1.086 464 F CA 1.620 59.567 58.000 -0.088 0.000 1.249 464 F CB -0.184 38.707 39.000 -0.182 0.000 1.059 464 F HN 0.056 nan 8.300 nan 0.000 0.490 465 A N 1.617 124.575 122.820 0.230 0.000 1.884 465 A HA -0.212 4.113 4.320 0.009 0.000 0.219 465 A C -0.227 177.324 177.584 -0.055 0.000 1.197 465 A CA 2.319 54.385 52.037 0.049 0.000 0.637 465 A CB -2.470 16.579 19.000 0.082 0.000 0.827 465 A HN 0.405 nan 8.150 nan 0.000 0.450 466 P HA -0.114 nan 4.420 nan 0.000 0.216 466 P C 1.628 178.872 177.300 -0.092 0.000 1.153 466 P CA 1.978 65.052 63.100 -0.044 0.000 0.848 466 P CB -0.189 31.502 31.700 -0.015 0.000 0.787 467 A N 0.271 123.007 122.820 -0.141 0.000 1.845 467 A HA -0.130 4.195 4.320 0.009 0.000 0.215 467 A C 2.418 179.854 177.584 -0.247 0.000 1.195 467 A CA 2.596 54.521 52.037 -0.186 0.000 0.616 467 A CB -1.985 16.883 19.000 -0.221 0.000 0.832 467 A HN 0.187 nan 8.150 nan 0.000 0.443 468 T N -0.152 114.154 114.554 -0.413 0.000 2.833 468 T HA -0.145 4.210 4.350 0.009 0.000 0.269 468 T C 1.775 176.365 174.700 -0.182 0.000 1.054 468 T CA 1.691 63.550 62.100 -0.401 0.000 1.135 468 T CB -0.439 68.013 68.868 -0.694 0.000 0.869 468 T HN 0.686 nan 8.240 nan 0.000 0.466 469 N N 0.537 119.154 118.700 -0.137 0.000 2.354 469 N HA 0.080 4.826 4.740 0.009 0.000 0.179 469 N C 1.888 177.370 175.510 -0.047 0.000 1.021 469 N CA 0.747 53.763 53.050 -0.056 0.000 0.887 469 N CB -0.174 38.293 38.487 -0.034 0.000 0.974 469 N HN 0.327 nan 8.380 nan 0.000 0.437 470 A N 0.268 123.048 122.820 -0.067 0.000 1.969 470 A HA -0.025 4.300 4.320 0.009 0.000 0.218 470 A C 2.010 179.568 177.584 -0.045 0.000 1.169 470 A CA 0.867 52.874 52.037 -0.050 0.000 0.635 470 A CB -0.483 18.484 19.000 -0.056 0.000 0.810 470 A HN 0.366 nan 8.150 nan 0.000 0.445 471 I N -2.028 118.506 120.570 -0.060 0.000 2.277 471 I HA 0.018 4.194 4.170 0.009 0.000 0.243 471 I C 1.166 177.266 176.117 -0.028 0.000 1.094 471 I CA 0.835 62.106 61.300 -0.048 0.000 1.393 471 I CB 0.133 38.093 38.000 -0.067 0.000 1.078 471 I HN 0.228 nan 8.210 nan 0.000 0.417 472 R N 1.700 122.186 120.500 -0.023 0.000 2.512 472 R HA 0.351 4.697 4.340 0.009 0.000 0.291 472 R C -2.931 173.380 176.300 0.019 0.000 1.097 472 R CA -1.817 54.285 56.100 0.004 0.000 0.940 472 R CB 1.431 31.739 30.300 0.014 0.000 1.198 472 R HN -0.195 nan 8.270 nan 0.000 0.429 473 P HA 0.488 nan 4.420 nan 0.000 0.278 473 P C -0.642 176.689 177.300 0.052 0.000 1.238 473 P CA -0.166 62.954 63.100 0.033 0.000 0.794 473 P CB 1.789 33.505 31.700 0.025 0.000 0.955 474 G N 1.537 110.376 108.800 0.065 0.000 2.506 474 G HA2 0.244 4.210 3.960 0.009 0.000 0.292 474 G HA3 0.244 4.210 3.960 0.009 0.000 0.292 474 G C 0.040 174.980 174.900 0.066 0.000 1.425 474 G CA -0.585 44.557 45.100 0.071 0.000 0.788 474 G HN 0.261 nan 8.290 nan 0.000 0.490 475 R N 0.128 120.657 120.500 0.047 0.000 2.334 475 R HA 0.219 4.564 4.340 0.009 0.000 0.216 475 R C 2.085 178.367 176.300 -0.031 0.000 0.905 475 R CA -0.540 55.574 56.100 0.023 0.000 1.064 475 R CB -0.192 30.129 30.300 0.034 0.000 1.046 475 R HN 0.430 nan 8.270 nan 0.000 0.508 476 L N 0.462 121.638 121.223 -0.079 0.000 1.997 476 L HA -0.155 4.191 4.340 0.009 0.000 0.216 476 L C 0.947 177.531 176.870 -0.478 0.000 1.074 476 L CA 2.131 56.782 54.840 -0.315 0.000 0.763 476 L CB -0.371 41.401 42.059 -0.478 0.000 0.890 476 L HN 0.073 nan 8.230 nan 0.000 0.434 477 F N -0.452 119.400 119.950 -0.163 0.000 2.732 477 F HA 0.068 4.603 4.527 0.013 0.000 0.303 477 F C 1.877 177.523 175.800 -0.257 0.000 1.110 477 F CA -0.332 57.503 58.000 -0.275 0.000 1.355 477 F CB -0.344 38.484 39.000 -0.286 0.000 1.081 477 F HN 0.087 nan 8.300 nan 0.000 0.565 478 D N 0.138 120.518 120.400 -0.034 0.000 2.178 478 D HA -0.128 4.518 4.640 0.009 0.000 0.201 478 D C 2.117 178.364 176.300 -0.087 0.000 0.980 478 D CA 1.678 55.647 54.000 -0.051 0.000 0.842 478 D CB -0.425 40.359 40.800 -0.026 0.000 0.948 478 D HN 0.244 nan 8.370 nan 0.000 0.472 479 T N -1.366 113.129 114.554 -0.099 0.000 3.227 479 T HA 0.083 4.439 4.350 0.009 0.000 0.257 479 T C 0.746 175.379 174.700 -0.112 0.000 1.162 479 T CA -0.095 61.953 62.100 -0.087 0.000 1.051 479 T CB -0.044 68.781 68.868 -0.072 0.000 0.953 479 T HN -0.196 nan 8.240 nan 0.000 0.535 480 V N 2.757 122.551 119.914 -0.199 0.000 2.357 480 V HA 0.259 4.385 4.120 0.009 0.000 0.284 480 V C -1.504 174.403 176.094 -0.311 0.000 1.018 480 V CA -1.957 60.157 62.300 -0.310 0.000 0.841 480 V CB 1.771 33.169 31.823 -0.708 0.000 0.991 480 V HN 0.056 nan 8.190 nan 0.000 0.437 481 P HA -0.193 nan 4.420 nan 0.000 0.213 481 P C 1.293 178.504 177.300 -0.149 0.000 1.176 481 P CA 1.374 64.397 63.100 -0.128 0.000 0.919 481 P CB 0.348 32.010 31.700 -0.064 0.000 0.791 482 E N -0.828 119.267 120.200 -0.176 0.000 2.209 482 E HA -0.136 4.220 4.350 0.009 0.000 0.196 482 E C 1.978 178.502 176.600 -0.128 0.000 0.993 482 E CA 1.418 57.771 56.400 -0.078 0.000 0.819 482 E CB -0.999 28.770 29.700 0.116 0.000 0.745 482 E HN 0.226 nan 8.360 nan 0.000 0.477 483 A N 0.662 123.234 122.820 -0.414 0.000 1.855 483 A HA -0.070 4.256 4.320 0.009 0.000 0.213 483 A C 2.112 179.619 177.584 -0.129 0.000 1.195 483 A CA 1.309 53.160 52.037 -0.311 0.000 0.610 483 A CB -0.334 18.308 19.000 -0.597 0.000 0.837 483 A HN 0.060 nan 8.150 nan 0.000 0.444 484 R N 0.530 120.948 120.500 -0.137 0.000 2.303 484 R HA -0.088 4.258 4.340 0.009 0.000 0.225 484 R C 1.715 177.993 176.300 -0.037 0.000 1.114 484 R CA 1.609 57.668 56.100 -0.069 0.000 1.007 484 R CB -0.447 29.814 30.300 -0.066 0.000 0.861 484 R HN 0.765 nan 8.270 nan 0.000 0.471 485 E N -1.181 119.000 120.200 -0.032 0.000 2.021 485 E HA -0.042 4.314 4.350 0.009 0.000 0.189 485 E C 1.863 178.471 176.600 0.013 0.000 0.980 485 E CA 1.015 57.414 56.400 -0.003 0.000 0.803 485 E CB -0.192 29.515 29.700 0.011 0.000 0.766 485 E HN 0.378 nan 8.360 nan 0.000 0.449 486 A N 1.321 124.158 122.820 0.028 0.000 2.019 486 A HA -0.063 4.263 4.320 0.009 0.000 0.219 486 A C 1.214 178.809 177.584 0.019 0.000 1.164 486 A CA 0.490 52.549 52.037 0.037 0.000 0.644 486 A CB -0.590 18.450 19.000 0.068 0.000 0.805 486 A HN 0.094 nan 8.150 nan 0.000 0.449 487 L N 0.870 122.098 121.223 0.009 0.000 2.456 487 L HA 0.153 4.499 4.340 0.009 0.000 0.272 487 L C 0.468 177.339 176.870 0.002 0.000 1.189 487 L CA -0.146 54.695 54.840 0.002 0.000 0.846 487 L CB 0.856 42.912 42.059 -0.004 0.000 1.111 487 L HN 0.176 nan 8.230 nan 0.000 0.475 488 T N 0.000 114.555 114.554 0.001 0.000 3.816 488 T HA 0.000 4.356 4.350 0.009 0.000 0.228 488 T CA 0.000 62.101 62.100 0.002 0.000 1.349 488 T CB 0.000 68.869 68.868 0.002 0.000 0.612 488 T HN 0.000 nan 8.240 nan 0.000 0.658