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 2z36_1_B DATA FIRST_RESID 9 DATA SEQUENCE LAGLELPVER GCPFAPPAAY ERLRERAPIN KVRLTSGGQA WWVSGHEEAR DATA SEQUENCE AVLADGRFSS DKRKDGFPLF TLDAATLQQL RSQPPLMLGM DGAEHSAARR DATA SEQUENCE PVIGEFTVKR LAALRPRIQD IVDHFIDDML ATDQRPVDLV QALSLPVPSL DATA SEQUENCE VICELLGVPY TDHDFFQSRT TMMVSRTSME DRRRAFAELR AYIDDLITRK DATA SEQUENCE ESEPGDDLFS RQIARQRQEG TLDHAGLVSL AFLLLTAGHE TTANMISLGV DATA SEQUENCE VGLLSHPEQL TVVKANPGRT PMAVEELLRY FTIADGVTSR LATEDVEIGG DATA SEQUENCE VSIKAGEGVI VSMLSANWDP AVFKDPAVLD VERGARHHLA FGFGPHQCLG DATA SEQUENCE QNLARMELQI VFDTLFRRIP SLRLAVPMED VPFKGDSVIY GVHELPVTWH DATA SEQUENCE HHHH 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.860 176.870 -0.017 0.000 1.165 9 L CA 0.000 54.833 54.840 -0.011 0.000 0.813 9 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 10 A N -0.271 122.535 122.820 -0.023 0.000 2.238 10 A HA 0.335 4.657 4.320 0.002 0.000 0.273 10 A C 0.479 178.038 177.584 -0.042 0.000 1.399 10 A CA 0.617 52.633 52.037 -0.034 0.000 0.723 10 A CB -2.481 16.497 19.000 -0.037 0.000 1.170 10 A HN 2.232 nan 8.150 nan 0.000 0.336 11 G N 1.266 110.042 108.800 -0.040 0.000 3.939 11 G HA2 0.525 4.486 3.960 0.002 0.000 0.268 11 G HA3 0.525 4.486 3.960 0.002 0.000 0.268 11 G C 0.134 175.004 174.900 -0.050 0.000 1.172 11 G CA 0.307 45.381 45.100 -0.043 0.000 1.614 11 G HN 1.596 nan 8.290 nan 0.000 0.639 12 L N -0.441 120.743 121.223 -0.064 0.000 2.375 12 L HA 0.624 4.965 4.340 0.002 0.000 0.271 12 L C -0.655 176.162 176.870 -0.090 0.000 1.107 12 L CA -0.724 54.070 54.840 -0.077 0.000 0.806 12 L CB 1.302 43.305 42.059 -0.093 0.000 1.146 12 L HN 0.063 nan 8.230 nan 0.000 0.447 13 E N 5.850 126.002 120.200 -0.080 0.000 2.187 13 E HA 0.405 4.757 4.350 0.002 0.000 0.268 13 E C -1.080 175.476 176.600 -0.074 0.000 0.896 13 E CA -0.558 55.800 56.400 -0.070 0.000 0.766 13 E CB 2.631 32.304 29.700 -0.046 0.000 1.142 13 E HN 0.624 nan 8.360 nan 0.000 0.408 14 L N 4.013 125.197 121.223 -0.066 0.000 2.331 14 L HA 0.455 4.796 4.340 0.002 0.000 0.275 14 L C -2.027 174.934 176.870 0.151 0.000 1.022 14 L CA -2.017 52.817 54.840 -0.011 0.000 0.812 14 L CB 1.806 43.766 42.059 -0.166 0.000 1.257 14 L HN 0.211 nan 8.230 nan 0.000 0.435 15 P HA 0.159 nan 4.420 nan 0.000 0.274 15 P C -1.068 176.233 177.300 0.000 0.000 1.256 15 P CA -0.293 62.842 63.100 0.058 0.000 0.795 15 P CB 1.523 33.085 31.700 -0.230 0.000 1.038 16 V N 0.777 120.717 119.914 0.043 0.000 2.628 16 V HA 0.232 4.353 4.120 0.002 0.000 0.306 16 V C 0.550 176.607 176.094 -0.061 0.000 1.045 16 V CA -0.763 61.525 62.300 -0.019 0.000 0.905 16 V CB 1.397 33.207 31.823 -0.022 0.000 0.997 16 V HN 0.507 nan 8.190 nan 0.000 0.436 17 E N 1.938 122.087 120.200 -0.085 0.000 2.392 17 E HA 0.148 4.500 4.350 0.002 0.000 0.264 17 E C -0.020 176.468 176.600 -0.187 0.000 1.024 17 E CA -0.390 55.951 56.400 -0.099 0.000 0.903 17 E CB 0.751 30.414 29.700 -0.062 0.000 0.963 17 E HN 0.427 nan 8.360 nan 0.000 0.432 18 R N 2.007 122.373 120.500 -0.222 0.000 2.309 18 R HA 0.080 4.421 4.340 0.002 0.000 0.331 18 R C 0.843 176.975 176.300 -0.280 0.000 1.116 18 R CA 0.285 56.147 56.100 -0.396 0.000 0.970 18 R CB -0.047 29.859 30.300 -0.657 0.000 1.024 18 R HN 0.633 nan 8.270 nan 0.000 0.472 19 G N 2.526 111.164 108.800 -0.269 0.000 2.453 19 G HA2 -0.080 3.881 3.960 0.002 0.000 0.215 19 G HA3 -0.080 3.881 3.960 0.002 0.000 0.215 19 G C -0.243 174.520 174.900 -0.230 0.000 1.147 19 G CA 0.361 45.347 45.100 -0.190 0.000 0.802 19 G HN 0.608 nan 8.290 nan 0.000 0.535 20 C N 1.466 120.584 119.300 -0.303 0.000 2.441 20 C HA 0.647 5.108 4.460 0.002 0.000 0.318 20 C C -1.562 173.159 174.990 -0.449 0.000 1.222 20 C CA -1.905 56.921 59.018 -0.320 0.000 1.474 20 C CB 1.985 29.622 27.740 -0.172 0.000 2.125 20 C HN 0.195 nan 8.230 nan 0.000 0.479 21 P HA 0.103 nan 4.420 nan 0.000 0.245 21 P C 0.228 177.257 177.300 -0.451 0.000 1.212 21 P CA 0.828 63.613 63.100 -0.526 0.000 0.774 21 P CB -0.152 31.074 31.700 -0.790 0.000 0.999 22 F N -0.072 119.903 119.950 0.042 0.000 2.724 22 F HA 0.586 5.115 4.527 0.002 0.000 0.310 22 F C 0.718 176.515 175.800 -0.005 0.000 1.107 22 F CA -0.505 57.586 58.000 0.152 0.000 1.218 22 F CB 0.797 39.985 39.000 0.313 0.000 1.042 22 F HN -0.122 nan 8.300 nan 0.000 0.540 23 A N 1.186 123.871 122.820 -0.224 0.000 2.560 23 A HA 0.503 4.825 4.320 0.002 0.000 0.300 23 A C -2.969 174.174 177.584 -0.734 0.000 1.062 23 A CA -1.134 50.589 52.037 -0.523 0.000 0.767 23 A CB 0.869 19.782 19.000 -0.146 0.000 1.288 23 A HN -0.121 nan 8.150 nan 0.000 0.396 24 P HA 0.411 nan 4.420 nan 0.000 0.274 24 P C -2.635 174.268 177.300 -0.662 0.000 1.246 24 P CA -1.193 61.376 63.100 -0.885 0.000 0.795 24 P CB -0.546 30.592 31.700 -0.936 0.000 1.006 25 P HA -0.107 nan 4.420 nan 0.000 0.259 25 P C 0.940 178.055 177.300 -0.307 0.000 1.163 25 P CA 0.684 63.443 63.100 -0.568 0.000 0.760 25 P CB -0.067 31.152 31.700 -0.801 0.000 0.762 26 A N 5.010 127.723 122.820 -0.178 0.000 1.948 26 A HA -0.254 4.067 4.320 0.002 0.000 0.220 26 A C 2.184 179.768 177.584 -0.001 0.000 1.177 26 A CA 2.266 54.259 52.037 -0.073 0.000 0.636 26 A CB -1.490 17.477 19.000 -0.056 0.000 0.815 26 A HN 0.567 nan 8.150 nan 0.000 0.449 27 A N -1.295 121.528 122.820 0.005 0.000 1.948 27 A HA -0.181 4.140 4.320 0.002 0.000 0.220 27 A C 2.076 179.772 177.584 0.186 0.000 1.177 27 A CA 1.596 53.672 52.037 0.065 0.000 0.636 27 A CB -0.920 18.103 19.000 0.038 0.000 0.815 27 A HN 0.707 nan 8.150 nan 0.000 0.449 28 Y N -0.627 119.660 120.300 -0.021 0.000 2.053 28 Y HA -0.311 4.241 4.550 0.002 0.000 0.277 28 Y C 2.671 178.627 175.900 0.093 0.000 1.159 28 Y CA 1.579 59.728 58.100 0.082 0.000 1.125 28 Y CB -0.222 38.280 38.460 0.070 0.000 0.969 28 Y HN 0.571 nan 8.280 nan 0.000 0.492 29 E N 0.757 121.092 120.200 0.226 0.000 2.051 29 E HA -0.231 4.120 4.350 0.002 0.000 0.192 29 E C 2.110 178.782 176.600 0.120 0.000 0.991 29 E CA 1.444 57.939 56.400 0.159 0.000 0.799 29 E CB -0.129 29.643 29.700 0.121 0.000 0.748 29 E HN 0.332 nan 8.360 nan 0.000 0.449 30 R N 0.096 120.653 120.500 0.095 0.000 2.105 30 R HA -0.134 4.208 4.340 0.002 0.000 0.239 30 R C 2.562 178.903 176.300 0.068 0.000 1.135 30 R CA 1.492 57.630 56.100 0.065 0.000 0.967 30 R CB -0.383 29.941 30.300 0.041 0.000 0.861 30 R HN 0.304 nan 8.270 nan 0.000 0.442 31 L N -0.070 121.206 121.223 0.087 0.000 2.072 31 L HA -0.102 4.240 4.340 0.002 0.000 0.205 31 L C 2.809 179.747 176.870 0.113 0.000 1.079 31 L CA 1.071 55.966 54.840 0.091 0.000 0.752 31 L CB -0.327 41.791 42.059 0.099 0.000 0.906 31 L HN 0.159 nan 8.230 nan 0.000 0.436 32 R N 0.484 121.060 120.500 0.126 0.000 2.081 32 R HA -0.188 4.153 4.340 0.002 0.000 0.235 32 R C 2.059 178.404 176.300 0.075 0.000 1.131 32 R CA 1.548 57.709 56.100 0.102 0.000 0.960 32 R CB -0.069 30.299 30.300 0.113 0.000 0.856 32 R HN 0.395 nan 8.270 nan 0.000 0.436 33 E N -0.341 119.903 120.200 0.074 0.000 2.160 33 E HA -0.217 4.134 4.350 0.002 0.000 0.195 33 E C 2.171 178.799 176.600 0.045 0.000 0.991 33 E CA 1.109 57.542 56.400 0.055 0.000 0.810 33 E CB 0.026 29.757 29.700 0.053 0.000 0.742 33 E HN 0.333 nan 8.360 nan 0.000 0.466 34 R N -0.110 120.420 120.500 0.051 0.000 2.057 34 R HA 0.110 4.452 4.340 0.002 0.000 0.229 34 R C 0.555 176.881 176.300 0.043 0.000 1.136 34 R CA 1.005 57.131 56.100 0.045 0.000 0.952 34 R CB 0.230 30.559 30.300 0.049 0.000 0.848 34 R HN 0.037 nan 8.270 nan 0.000 0.430 35 A N -1.276 121.575 122.820 0.051 0.000 2.544 35 A HA 0.343 4.664 4.320 0.002 0.000 0.291 35 A C -2.460 175.147 177.584 0.037 0.000 1.055 35 A CA -1.082 50.978 52.037 0.039 0.000 0.651 35 A CB 0.919 19.945 19.000 0.043 0.000 1.296 35 A HN -0.134 nan 8.150 nan 0.000 0.431 36 P HA 0.107 nan 4.420 nan 0.000 0.217 36 P C -0.086 177.198 177.300 -0.025 0.000 1.151 36 P CA 1.134 64.222 63.100 -0.020 0.000 0.828 36 P CB 0.114 31.786 31.700 -0.048 0.000 0.788 37 I N -0.796 119.771 120.570 -0.006 0.000 2.533 37 I HA 0.308 4.479 4.170 0.002 0.000 0.290 37 I C -0.351 175.870 176.117 0.174 0.000 1.056 37 I CA -0.726 60.593 61.300 0.033 0.000 1.057 37 I CB 2.171 40.106 38.000 -0.108 0.000 1.240 37 I HN -0.195 nan 8.210 nan 0.000 0.423 38 N N 4.472 123.360 118.700 0.314 0.000 2.235 38 N HA 0.276 5.017 4.740 0.002 0.000 0.293 38 N C -1.237 174.489 175.510 0.361 0.000 1.083 38 N CA -0.832 52.416 53.050 0.331 0.000 0.801 38 N CB 3.227 41.832 38.487 0.197 0.000 1.559 38 N HN 0.509 nan 8.380 nan 0.000 0.472 39 K N 1.535 122.037 120.400 0.171 0.000 2.297 39 K HA 0.358 4.679 4.320 0.002 0.000 0.286 39 K C -0.300 176.193 176.600 -0.179 0.000 1.053 39 K CA -0.456 55.648 56.287 -0.305 0.000 0.940 39 K CB 0.469 32.584 32.500 -0.642 0.000 1.019 39 K HN 0.394 nan 8.250 nan 0.000 0.475 40 V N 1.073 120.870 119.914 -0.195 0.000 3.113 40 V HA 0.639 4.761 4.120 0.002 0.000 0.316 40 V C -0.723 175.269 176.094 -0.171 0.000 1.125 40 V CA -1.315 60.878 62.300 -0.178 0.000 1.026 40 V CB 1.633 33.320 31.823 -0.227 0.000 1.080 40 V HN 0.837 nan 8.190 nan 0.000 0.444 41 R N 1.175 121.591 120.500 -0.140 0.000 2.404 41 R HA 0.707 5.048 4.340 0.002 0.000 0.291 41 R C -1.365 174.895 176.300 -0.066 0.000 1.025 41 R CA -0.449 55.590 56.100 -0.101 0.000 0.991 41 R CB 1.214 31.464 30.300 -0.084 0.000 1.053 41 R HN 0.727 nan 8.270 nan 0.000 0.479 42 L N 3.370 124.576 121.223 -0.029 0.000 2.296 42 L HA 0.332 4.673 4.340 0.002 0.000 0.286 42 L C 1.108 177.993 176.870 0.025 0.000 1.023 42 L CA 0.200 55.062 54.840 0.038 0.000 0.812 42 L CB 1.840 43.944 42.059 0.074 0.000 1.223 42 L HN 0.855 nan 8.230 nan 0.000 0.421 43 T N 0.148 114.720 114.554 0.030 0.000 2.685 43 T HA -0.221 4.130 4.350 0.002 0.000 0.268 43 T C 1.801 176.507 174.700 0.009 0.000 1.034 43 T CA 2.022 64.125 62.100 0.004 0.000 1.149 43 T CB -0.075 68.787 68.868 -0.010 0.000 0.860 43 T HN 0.789 nan 8.240 nan 0.000 0.449 44 S N 0.348 116.065 115.700 0.028 0.000 2.493 44 S HA 0.101 4.573 4.470 0.002 0.000 0.243 44 S C 1.900 176.512 174.600 0.021 0.000 0.991 44 S CA 1.372 59.590 58.200 0.029 0.000 0.957 44 S CB -0.515 62.718 63.200 0.055 0.000 0.756 44 S HN 0.839 nan 8.310 nan 0.000 0.521 45 G N -0.141 108.667 108.800 0.013 0.000 2.307 45 G HA2 -0.093 3.868 3.960 0.002 0.000 0.210 45 G HA3 -0.093 3.868 3.960 0.002 0.000 0.210 45 G C 0.677 175.573 174.900 -0.007 0.000 1.005 45 G CA 0.019 45.119 45.100 0.000 0.000 0.634 45 G HN 1.020 nan 8.290 nan 0.000 0.496 46 G N -0.507 108.293 108.800 0.001 0.000 2.467 46 G HA2 0.481 4.442 3.960 0.002 0.000 0.243 46 G HA3 0.481 4.442 3.960 0.002 0.000 0.243 46 G C 0.097 174.967 174.900 -0.049 0.000 1.521 46 G CA 1.078 46.167 45.100 -0.018 0.000 1.055 46 G HN 1.029 nan 8.290 nan 0.000 0.553 47 Q N -2.441 117.311 119.800 -0.080 0.000 2.503 47 Q HA 0.517 4.858 4.340 0.002 0.000 0.268 47 Q C -1.442 174.441 176.000 -0.195 0.000 0.982 47 Q CA -0.498 55.219 55.803 -0.143 0.000 0.907 47 Q CB 1.749 30.389 28.738 -0.164 0.000 1.467 47 Q HN 1.125 nan 8.270 nan 0.000 0.394 48 A N 1.949 124.617 122.820 -0.254 0.000 2.586 48 A HA 0.652 4.974 4.320 0.002 0.000 0.290 48 A C -2.327 175.074 177.584 -0.304 0.000 1.086 48 A CA -0.770 51.094 52.037 -0.288 0.000 0.665 48 A CB 0.706 19.613 19.000 -0.155 0.000 1.279 48 A HN 0.661 nan 8.150 nan 0.000 0.423 49 W N 0.757 122.031 121.300 -0.044 0.000 2.272 49 W HA 0.492 5.153 4.660 0.002 0.000 0.318 49 W C 0.144 176.653 176.519 -0.018 0.000 1.255 49 W CA 0.275 57.602 57.345 -0.030 0.000 1.200 49 W CB 0.791 30.215 29.460 -0.059 0.000 1.170 49 W HN 0.614 nan 8.180 nan 0.000 0.549 50 W N 5.897 127.232 121.300 0.059 0.000 2.336 50 W HA 0.524 5.186 4.660 0.002 0.000 0.315 50 W C -1.503 174.965 176.519 -0.086 0.000 1.016 50 W CA -1.046 56.234 57.345 -0.109 0.000 1.318 50 W CB 1.079 30.440 29.460 -0.165 0.000 1.247 50 W HN -0.066 nan 8.180 nan 0.000 0.414 51 V N 6.569 126.226 119.914 -0.428 0.000 2.455 51 V HA 0.055 4.176 4.120 0.002 0.000 0.273 51 V C 0.693 176.459 176.094 -0.546 0.000 1.045 51 V CA 0.610 62.677 62.300 -0.389 0.000 0.976 51 V CB 1.269 32.869 31.823 -0.372 0.000 0.993 51 V HN 0.677 nan 8.190 nan 0.000 0.475 52 S N 2.803 118.338 115.700 -0.275 0.000 2.514 52 S HA 0.200 4.672 4.470 0.002 0.000 0.223 52 S C 1.146 175.695 174.600 -0.086 0.000 1.046 52 S CA 0.339 58.431 58.200 -0.180 0.000 0.914 52 S CB 0.601 63.817 63.200 0.027 0.000 0.807 52 S HN 0.886 nan 8.310 nan 0.000 0.497 53 G N 1.029 109.783 108.800 -0.077 0.000 2.442 53 G HA2 0.196 4.158 3.960 0.002 0.000 0.249 53 G HA3 0.196 4.158 3.960 0.002 0.000 0.249 53 G C 0.439 175.310 174.900 -0.048 0.000 1.263 53 G CA -0.164 44.914 45.100 -0.037 0.000 0.846 53 G HN 0.319 nan 8.290 nan 0.000 0.555 54 H N 1.234 120.245 119.070 -0.097 0.000 2.321 54 H HA -0.107 4.451 4.556 0.002 0.000 0.300 54 H C 2.001 177.231 175.328 -0.163 0.000 1.087 54 H CA 2.102 58.078 56.048 -0.120 0.000 1.319 54 H CB 0.075 29.748 29.762 -0.147 0.000 1.379 54 H HN 0.791 nan 8.280 nan 0.000 0.501 55 E N 0.277 120.502 120.200 0.042 0.000 2.058 55 E HA -0.189 4.162 4.350 0.002 0.000 0.194 55 E C 1.948 178.472 176.600 -0.126 0.000 0.997 55 E CA 1.423 57.801 56.400 -0.036 0.000 0.801 55 E CB 0.182 29.862 29.700 -0.034 0.000 0.746 55 E HN 0.459 nan 8.360 nan 0.000 0.450 56 E N 0.301 120.426 120.200 -0.124 0.000 2.153 56 E HA -0.130 4.222 4.350 0.002 0.000 0.194 56 E C 1.720 178.197 176.600 -0.204 0.000 0.988 56 E CA 1.060 57.368 56.400 -0.153 0.000 0.811 56 E CB -0.253 29.354 29.700 -0.155 0.000 0.746 56 E HN 0.372 nan 8.360 nan 0.000 0.466 57 A N 0.919 123.595 122.820 -0.240 0.000 1.865 57 A HA -0.240 4.081 4.320 0.002 0.000 0.217 57 A C 2.096 179.548 177.584 -0.219 0.000 1.191 57 A CA 1.806 53.685 52.037 -0.263 0.000 0.623 57 A CB -0.451 18.366 19.000 -0.304 0.000 0.826 57 A HN 0.100 nan 8.150 nan 0.000 0.444 58 R N -0.638 119.671 120.500 -0.319 0.000 2.080 58 R HA -0.114 4.228 4.340 0.002 0.000 0.236 58 R C 2.552 178.871 176.300 0.031 0.000 1.137 58 R CA 1.346 57.271 56.100 -0.291 0.000 0.943 58 R CB -0.600 29.304 30.300 -0.661 0.000 0.846 58 R HN 0.530 nan 8.270 nan 0.000 0.431 59 A N 0.739 123.532 122.820 -0.046 0.000 1.881 59 A HA -0.247 4.074 4.320 0.002 0.000 0.219 59 A C 2.358 179.979 177.584 0.062 0.000 1.215 59 A CA 2.446 54.496 52.037 0.022 0.000 0.648 59 A CB -1.213 17.768 19.000 -0.032 0.000 0.832 59 A HN 0.334 nan 8.150 nan 0.000 0.455 60 V N -1.077 118.782 119.914 -0.092 0.000 2.358 60 V HA -0.129 3.992 4.120 0.002 0.000 0.246 60 V C 2.180 178.295 176.094 0.035 0.000 1.047 60 V CA 2.048 64.221 62.300 -0.212 0.000 1.035 60 V CB -0.732 30.596 31.823 -0.826 0.000 0.658 60 V HN 0.488 nan 8.190 nan 0.000 0.452 61 L N 0.294 121.544 121.223 0.044 0.000 2.349 61 L HA -0.036 4.305 4.340 0.002 0.000 0.220 61 L C 2.655 179.634 176.870 0.182 0.000 1.130 61 L CA 1.490 56.414 54.840 0.140 0.000 0.791 61 L CB -0.657 41.517 42.059 0.192 0.000 0.918 61 L HN 0.566 nan 8.230 nan 0.000 0.444 62 A N -1.931 121.014 122.820 0.209 0.000 2.197 62 A HA -0.012 4.309 4.320 0.002 0.000 0.210 62 A C 0.681 178.343 177.584 0.130 0.000 1.180 62 A CA -0.129 51.982 52.037 0.123 0.000 0.846 62 A CB 0.058 19.165 19.000 0.178 0.000 0.884 62 A HN 0.193 nan 8.150 nan 0.000 0.487 63 D N 0.446 120.974 120.400 0.214 0.000 2.336 63 D HA 0.359 5.001 4.640 0.002 0.000 0.249 63 D C 1.380 177.792 176.300 0.185 0.000 1.213 63 D CA 0.451 54.580 54.000 0.214 0.000 0.870 63 D CB 1.176 42.186 40.800 0.349 0.000 1.076 63 D HN 0.076 nan 8.370 nan 0.000 0.483 64 G N 3.847 112.694 108.800 0.078 0.000 2.535 64 G HA2 -0.241 3.720 3.960 0.002 0.000 0.218 64 G HA3 -0.241 3.720 3.960 0.002 0.000 0.218 64 G C 1.452 176.348 174.900 -0.007 0.000 1.122 64 G CA 0.170 45.303 45.100 0.055 0.000 0.769 64 G HN 0.498 nan 8.290 nan 0.000 0.549 65 R N -0.871 119.546 120.500 -0.139 0.000 2.280 65 R HA 0.066 4.408 4.340 0.002 0.000 0.207 65 R C -0.113 175.940 176.300 -0.413 0.000 1.043 65 R CA 0.174 56.082 56.100 -0.320 0.000 1.006 65 R CB -0.067 29.938 30.300 -0.492 0.000 0.885 65 R HN 0.381 nan 8.270 nan 0.000 0.467 66 F N 0.745 120.715 119.950 0.034 0.000 2.329 66 F HA 0.194 4.723 4.527 0.002 0.000 0.362 66 F C 0.651 176.491 175.800 0.067 0.000 1.113 66 F CA -0.651 57.370 58.000 0.036 0.000 1.212 66 F CB 0.977 39.987 39.000 0.017 0.000 1.509 66 F HN -0.159 nan 8.300 nan 0.000 0.546 67 S N 1.245 117.058 115.700 0.189 0.000 2.573 67 S HA 0.013 4.484 4.470 0.002 0.000 0.277 67 S C 1.169 175.926 174.600 0.261 0.000 1.346 67 S CA -0.060 58.255 58.200 0.192 0.000 1.034 67 S CB 1.024 64.321 63.200 0.161 0.000 0.879 67 S HN 0.561 nan 8.310 nan 0.000 0.528 68 S N 1.138 116.971 115.700 0.221 0.000 2.603 68 S HA 0.176 4.648 4.470 0.002 0.000 0.232 68 S C -0.246 174.396 174.600 0.071 0.000 1.016 68 S CA -0.424 57.892 58.200 0.195 0.000 0.976 68 S CB -0.075 63.085 63.200 -0.067 0.000 0.921 68 S HN 0.811 nan 8.310 nan 0.000 0.516 69 D N 1.858 122.312 120.400 0.089 0.000 2.338 69 D HA 0.198 4.840 4.640 0.002 0.000 0.255 69 D C 0.753 176.961 176.300 -0.154 0.000 1.237 69 D CA 0.062 54.046 54.000 -0.026 0.000 0.883 69 D CB 1.090 41.913 40.800 0.039 0.000 1.087 69 D HN -0.063 nan 8.370 nan 0.000 0.485 70 K N 2.390 122.539 120.400 -0.418 0.000 2.439 70 K HA 0.039 4.361 4.320 0.002 0.000 0.197 70 K C 1.638 178.118 176.600 -0.201 0.000 1.041 70 K CA 0.476 56.403 56.287 -0.599 0.000 0.970 70 K CB 0.090 32.238 32.500 -0.587 0.000 0.773 70 K HN 0.345 nan 8.250 nan 0.000 0.479 71 R N 0.501 120.942 120.500 -0.097 0.000 2.280 71 R HA 0.037 4.378 4.340 0.002 0.000 0.207 71 R C -0.100 176.213 176.300 0.022 0.000 1.043 71 R CA 0.536 56.620 56.100 -0.027 0.000 1.006 71 R CB 0.088 30.379 30.300 -0.014 0.000 0.885 71 R HN 0.050 nan 8.270 nan 0.000 0.467 72 K N 1.303 121.739 120.400 0.060 0.000 2.234 72 K HA 0.070 4.392 4.320 0.002 0.000 0.282 72 K C -0.666 176.010 176.600 0.126 0.000 1.039 72 K CA -0.559 55.788 56.287 0.100 0.000 0.928 72 K CB 0.878 33.460 32.500 0.137 0.000 1.039 72 K HN -0.149 nan 8.250 nan 0.000 0.470 73 D N 0.877 121.332 120.400 0.091 0.000 2.455 73 D HA 0.102 4.744 4.640 0.002 0.000 0.241 73 D C 1.234 177.597 176.300 0.104 0.000 1.138 73 D CA 1.443 55.495 54.000 0.087 0.000 0.877 73 D CB 0.942 41.777 40.800 0.059 0.000 1.187 73 D HN 0.775 nan 8.370 nan 0.000 0.451 74 G N 2.303 111.168 108.800 0.109 0.000 2.194 74 G HA2 -0.276 3.685 3.960 0.002 0.000 0.236 74 G HA3 -0.276 3.685 3.960 0.002 0.000 0.236 74 G C 0.426 175.389 174.900 0.105 0.000 0.987 74 G CA -0.324 44.830 45.100 0.089 0.000 0.635 74 G HN 0.495 nan 8.290 nan 0.000 0.520 75 F N 4.875 124.852 119.950 0.045 0.000 2.612 75 F HA 0.403 4.932 4.527 0.003 0.000 0.389 75 F C -0.547 175.288 175.800 0.058 0.000 1.055 75 F CA -0.828 57.203 58.000 0.053 0.000 1.232 75 F CB 0.452 39.480 39.000 0.046 0.000 1.044 75 F HN 0.091 nan 8.300 nan 0.000 0.560 76 P HA -0.045 nan 4.420 nan 0.000 0.266 76 P C -0.590 176.780 177.300 0.117 0.000 1.195 76 P CA 0.131 63.157 63.100 -0.123 0.000 0.768 76 P CB 0.771 32.330 31.700 -0.236 0.000 0.838 77 L N 3.315 124.630 121.223 0.154 0.000 2.657 77 L HA 0.194 4.536 4.340 0.002 0.000 0.239 77 L C 1.249 178.254 176.870 0.225 0.000 1.215 77 L CA -0.404 54.550 54.840 0.190 0.000 1.161 77 L CB -0.583 41.553 42.059 0.127 0.000 1.436 77 L HN 0.317 nan 8.230 nan 0.000 0.414 78 F N 1.097 121.094 119.950 0.079 0.000 2.104 78 F HA -0.090 4.438 4.527 0.002 0.000 0.288 78 F C 2.386 178.240 175.800 0.090 0.000 1.107 78 F CA 1.889 59.935 58.000 0.078 0.000 1.208 78 F CB 0.034 39.087 39.000 0.089 0.000 1.033 78 F HN 0.313 nan 8.300 nan 0.000 0.478 79 T N -1.217 113.385 114.554 0.080 0.000 3.022 79 T HA 0.289 4.640 4.350 0.002 0.000 0.250 79 T C 0.672 175.396 174.700 0.040 0.000 1.060 79 T CA -0.057 62.021 62.100 -0.037 0.000 1.013 79 T CB -0.510 68.383 68.868 0.041 0.000 0.982 79 T HN 0.014 nan 8.240 nan 0.000 0.508 80 L N 2.203 123.494 121.223 0.114 0.000 2.350 80 L HA 0.504 4.845 4.340 0.002 0.000 0.275 80 L C -0.134 176.777 176.870 0.068 0.000 1.099 80 L CA -0.861 54.039 54.840 0.099 0.000 0.808 80 L CB 0.798 42.949 42.059 0.153 0.000 1.149 80 L HN 0.082 nan 8.230 nan 0.000 0.442 81 D N 0.431 120.856 120.400 0.041 0.000 2.478 81 D HA 0.343 4.984 4.640 0.002 0.000 0.269 81 D C 0.696 177.017 176.300 0.035 0.000 1.232 81 D CA -0.094 53.922 54.000 0.027 0.000 1.059 81 D CB 0.913 41.719 40.800 0.010 0.000 1.104 81 D HN 0.554 nan 8.370 nan 0.000 0.566 82 A N -0.111 122.724 122.820 0.025 0.000 1.935 82 A HA 0.162 4.483 4.320 0.002 0.000 0.214 82 A C 1.918 179.511 177.584 0.014 0.000 1.178 82 A CA 1.456 53.509 52.037 0.026 0.000 0.640 82 A CB -0.884 18.128 19.000 0.020 0.000 0.825 82 A HN 0.477 nan 8.150 nan 0.000 0.447 83 A N -0.732 122.091 122.820 0.005 0.000 1.930 83 A HA -0.042 4.279 4.320 0.002 0.000 0.217 83 A C 2.250 179.827 177.584 -0.011 0.000 1.175 83 A CA 2.167 54.200 52.037 -0.006 0.000 0.627 83 A CB -1.126 17.866 19.000 -0.012 0.000 0.815 83 A HN 0.395 nan 8.150 nan 0.000 0.443 84 T N 0.248 114.799 114.554 -0.005 0.000 2.867 84 T HA -0.044 4.307 4.350 0.002 0.000 0.268 84 T C 1.799 176.493 174.700 -0.010 0.000 1.057 84 T CA 1.058 63.153 62.100 -0.009 0.000 1.136 84 T CB -0.221 68.649 68.868 0.003 0.000 0.874 84 T HN 0.311 nan 8.240 nan 0.000 0.466 85 L N 1.072 122.297 121.223 0.004 0.000 2.109 85 L HA -0.068 4.274 4.340 0.002 0.000 0.207 85 L C 2.593 179.454 176.870 -0.015 0.000 1.086 85 L CA 1.675 56.514 54.840 -0.002 0.000 0.760 85 L CB -0.664 41.417 42.059 0.037 0.000 0.910 85 L HN 0.363 nan 8.230 nan 0.000 0.437 86 Q N -0.400 119.396 119.800 -0.007 0.000 2.084 86 Q HA -0.316 4.025 4.340 0.002 0.000 0.202 86 Q C 2.118 178.105 176.000 -0.021 0.000 0.978 86 Q CA 2.143 57.940 55.803 -0.011 0.000 0.844 86 Q CB -0.006 28.727 28.738 -0.008 0.000 0.898 86 Q HN 0.486 nan 8.270 nan 0.000 0.426 87 Q N 0.673 120.457 119.800 -0.027 0.000 2.030 87 Q HA -0.169 4.173 4.340 0.002 0.000 0.204 87 Q C 2.003 177.981 176.000 -0.036 0.000 0.986 87 Q CA 1.929 57.711 55.803 -0.036 0.000 0.843 87 Q CB -0.517 28.194 28.738 -0.044 0.000 0.904 87 Q HN 0.550 nan 8.270 nan 0.000 0.420 88 L N -0.161 121.037 121.223 -0.041 0.000 2.127 88 L HA -0.148 4.193 4.340 0.002 0.000 0.211 88 L C 2.009 178.851 176.870 -0.047 0.000 1.089 88 L CA 1.351 56.161 54.840 -0.050 0.000 0.757 88 L CB -0.267 41.744 42.059 -0.081 0.000 0.899 88 L HN 0.171 nan 8.230 nan 0.000 0.434 89 R N -1.062 119.414 120.500 -0.039 0.000 2.391 89 R HA 0.107 4.448 4.340 0.002 0.000 0.249 89 R C 0.862 177.150 176.300 -0.019 0.000 0.957 89 R CA -0.018 56.065 56.100 -0.029 0.000 1.093 89 R CB 0.201 30.488 30.300 -0.022 0.000 1.156 89 R HN 0.129 nan 8.270 nan 0.000 0.526 90 S N 0.374 116.061 115.700 -0.021 0.000 2.749 90 S HA 0.085 4.556 4.470 0.002 0.000 0.246 90 S C -0.292 174.299 174.600 -0.016 0.000 1.023 90 S CA -0.442 57.747 58.200 -0.017 0.000 1.012 90 S CB 0.407 63.594 63.200 -0.021 0.000 0.942 90 S HN 0.355 nan 8.310 nan 0.000 0.531 91 Q N -0.180 119.611 119.800 -0.014 0.000 2.685 91 Q HA 0.554 4.895 4.340 0.002 0.000 0.301 91 Q C -3.444 172.554 176.000 -0.003 0.000 0.924 91 Q CA -2.185 53.613 55.803 -0.008 0.000 0.755 91 Q CB -0.132 28.600 28.738 -0.011 0.000 1.470 91 Q HN -0.137 nan 8.270 nan 0.000 0.434 92 P HA 0.168 nan 4.420 nan 0.000 0.269 92 P C -2.402 174.906 177.300 0.012 0.000 1.215 92 P CA -0.610 62.498 63.100 0.013 0.000 0.780 92 P CB -0.174 31.540 31.700 0.023 0.000 0.898 93 P HA 0.110 nan 4.420 nan 0.000 0.271 93 P C -0.605 176.712 177.300 0.028 0.000 1.218 93 P CA 0.132 63.236 63.100 0.007 0.000 0.780 93 P CB 0.698 32.404 31.700 0.009 0.000 0.901 94 L N 2.476 123.711 121.223 0.019 0.000 2.421 94 L HA 0.307 4.648 4.340 0.002 0.000 0.263 94 L C 2.437 179.350 176.870 0.071 0.000 1.122 94 L CA -0.698 54.171 54.840 0.049 0.000 0.804 94 L CB 0.348 42.429 42.059 0.037 0.000 1.150 94 L HN 0.414 nan 8.230 nan 0.000 0.457 95 M N 0.728 120.400 119.600 0.120 0.000 2.144 95 M HA -0.197 4.284 4.480 0.002 0.000 0.260 95 M C 1.652 178.044 176.300 0.155 0.000 1.067 95 M CA 1.856 57.280 55.300 0.207 0.000 1.095 95 M CB 0.003 32.746 32.600 0.238 0.000 1.365 95 M HN 0.513 nan 8.290 nan 0.000 0.406 96 L N -0.093 121.160 121.223 0.050 0.000 2.549 96 L HA 0.039 4.380 4.340 0.002 0.000 0.229 96 L C 1.617 178.340 176.870 -0.245 0.000 1.158 96 L CA 1.366 56.137 54.840 -0.115 0.000 0.842 96 L CB -0.835 41.200 42.059 -0.040 0.000 0.952 96 L HN 0.417 nan 8.230 nan 0.000 0.452 97 G N -1.412 107.316 108.800 -0.121 0.000 3.969 97 G HA2 0.309 4.270 3.960 0.002 0.000 0.291 97 G HA3 0.309 4.270 3.960 0.002 0.000 0.291 97 G C 0.180 175.051 174.900 -0.049 0.000 1.016 97 G CA -0.249 44.771 45.100 -0.133 0.000 0.819 97 G HN 0.272 nan 8.290 nan 0.000 0.493 98 M N -0.953 118.663 119.600 0.026 0.000 2.662 98 M HA 0.670 5.151 4.480 0.002 0.000 0.310 98 M C -1.660 174.720 176.300 0.133 0.000 1.204 98 M CA -0.974 54.380 55.300 0.090 0.000 0.891 98 M CB 2.003 34.682 32.600 0.131 0.000 1.732 98 M HN -0.289 nan 8.290 nan 0.000 0.467 99 D N 0.396 120.875 120.400 0.130 0.000 2.442 99 D HA 0.516 5.158 4.640 0.002 0.000 0.254 99 D C 0.909 177.292 176.300 0.139 0.000 1.069 99 D CA 0.251 54.330 54.000 0.132 0.000 1.017 99 D CB 1.159 42.020 40.800 0.102 0.000 1.172 99 D HN 0.915 nan 8.370 nan 0.000 0.561 100 G N 0.727 109.592 108.800 0.108 0.000 2.896 100 G HA2 -0.397 3.564 3.960 0.002 0.000 0.656 100 G HA3 -0.397 3.564 3.960 0.002 0.000 0.656 100 G C 1.261 176.203 174.900 0.070 0.000 1.036 100 G CA 2.489 47.636 45.100 0.077 0.000 0.822 100 G HN 0.666 nan 8.290 nan 0.000 0.897 101 A N -0.686 122.160 122.820 0.042 0.000 1.881 101 A HA -0.225 4.096 4.320 0.002 0.000 0.219 101 A C 2.325 179.933 177.584 0.040 0.000 1.215 101 A CA 3.018 55.071 52.037 0.027 0.000 0.648 101 A CB -0.949 18.064 19.000 0.023 0.000 0.832 101 A HN 0.908 nan 8.150 nan 0.000 0.455 102 E N -1.424 118.815 120.200 0.064 0.000 2.070 102 E HA -0.297 4.054 4.350 0.002 0.000 0.197 102 E C 1.990 178.660 176.600 0.117 0.000 1.004 102 E CA 1.536 57.983 56.400 0.079 0.000 0.805 102 E CB -0.337 29.413 29.700 0.083 0.000 0.744 102 E HN 0.868 nan 8.360 nan 0.000 0.451 103 H N -0.494 118.592 119.070 0.026 0.000 2.256 103 H HA -0.096 4.461 4.556 0.002 0.000 0.299 103 H C 2.280 177.604 175.328 -0.006 0.000 1.071 103 H CA 1.739 57.799 56.048 0.020 0.000 1.280 103 H CB -0.038 29.709 29.762 -0.024 0.000 1.370 103 H HN 0.128 nan 8.280 nan 0.000 0.490 104 S N 0.769 116.340 115.700 -0.216 0.000 2.372 104 S HA -0.278 4.193 4.470 0.002 0.000 0.227 104 S C 2.394 176.907 174.600 -0.144 0.000 1.044 104 S CA 1.248 59.288 58.200 -0.265 0.000 1.050 104 S CB -0.645 62.472 63.200 -0.138 0.000 0.901 104 S HN 0.649 nan 8.310 nan 0.000 0.447 105 A N 1.206 123.992 122.820 -0.057 0.000 1.948 105 A HA 0.005 4.327 4.320 0.002 0.000 0.220 105 A C 2.283 179.861 177.584 -0.009 0.000 1.177 105 A CA 1.903 53.928 52.037 -0.020 0.000 0.636 105 A CB -0.902 18.103 19.000 0.008 0.000 0.815 105 A HN 0.583 nan 8.150 nan 0.000 0.449 106 A N -1.403 121.418 122.820 0.002 0.000 2.072 106 A HA 0.089 4.411 4.320 0.002 0.000 0.216 106 A C 2.172 179.768 177.584 0.019 0.000 1.156 106 A CA 1.193 53.254 52.037 0.040 0.000 0.701 106 A CB -0.262 18.802 19.000 0.107 0.000 0.816 106 A HN 0.519 nan 8.150 nan 0.000 0.458 107 R N -1.066 119.389 120.500 -0.075 0.000 2.128 107 R HA 0.058 4.399 4.340 0.002 0.000 0.211 107 R C 2.185 178.458 176.300 -0.045 0.000 1.067 107 R CA 0.062 56.114 56.100 -0.080 0.000 1.010 107 R CB -0.155 29.989 30.300 -0.260 0.000 0.922 107 R HN 0.248 nan 8.270 nan 0.000 0.457 108 R N 0.944 121.403 120.500 -0.068 0.000 2.136 108 R HA -0.142 4.199 4.340 0.002 0.000 0.242 108 R C -0.851 175.448 176.300 -0.002 0.000 1.131 108 R CA 1.980 58.058 56.100 -0.037 0.000 0.937 108 R CB -1.743 28.534 30.300 -0.039 0.000 0.863 108 R HN 0.370 nan 8.270 nan 0.000 0.435 109 P HA -0.074 nan 4.420 nan 0.000 0.234 109 P C 1.156 178.478 177.300 0.037 0.000 1.162 109 P CA 1.012 64.125 63.100 0.022 0.000 0.759 109 P CB 0.090 31.806 31.700 0.025 0.000 0.813 110 V N -1.753 118.196 119.914 0.059 0.000 3.548 110 V HA 0.134 4.255 4.120 0.002 0.000 0.279 110 V C 2.030 178.220 176.094 0.161 0.000 1.446 110 V CA 0.010 62.371 62.300 0.101 0.000 1.023 110 V CB -0.349 31.564 31.823 0.150 0.000 0.820 110 V HN -0.170 nan 8.190 nan 0.000 0.438 111 I N 1.416 122.060 120.570 0.123 0.000 2.264 111 I HA -0.163 4.009 4.170 0.002 0.000 0.248 111 I C 2.489 178.691 176.117 0.141 0.000 1.111 111 I CA 1.966 63.356 61.300 0.149 0.000 1.382 111 I CB -0.698 37.336 38.000 0.056 0.000 1.060 111 I HN 0.481 nan 8.210 nan 0.000 0.418 112 G N 0.184 109.016 108.800 0.053 0.000 2.448 112 G HA2 -0.195 3.766 3.960 0.002 0.000 0.219 112 G HA3 -0.195 3.766 3.960 0.002 0.000 0.219 112 G C 1.399 176.257 174.900 -0.070 0.000 1.127 112 G CA 0.328 45.429 45.100 0.002 0.000 0.766 112 G HN 0.310 nan 8.290 nan 0.000 0.552 113 E N -0.124 119.976 120.200 -0.167 0.000 2.515 113 E HA 0.005 4.356 4.350 0.002 0.000 0.201 113 E C 0.508 176.633 176.600 -0.791 0.000 1.071 113 E CA 0.407 56.513 56.400 -0.489 0.000 0.880 113 E CB -0.105 29.188 29.700 -0.679 0.000 0.828 113 E HN 0.614 nan 8.360 nan 0.000 0.540 114 F N -0.116 119.815 119.950 -0.032 0.000 2.775 114 F HA 0.070 4.598 4.527 0.002 0.000 0.313 114 F C 1.052 176.833 175.800 -0.032 0.000 1.121 114 F CA -0.480 57.498 58.000 -0.036 0.000 1.206 114 F CB 0.029 39.004 39.000 -0.042 0.000 1.052 114 F HN -0.240 nan 8.300 nan 0.000 0.524 115 T N -2.686 111.910 114.554 0.070 0.000 2.701 115 T HA 0.138 4.489 4.350 0.002 0.000 0.303 115 T C 1.529 176.249 174.700 0.033 0.000 1.030 115 T CA -0.413 61.715 62.100 0.046 0.000 1.010 115 T CB 1.148 70.025 68.868 0.015 0.000 1.007 115 T HN -0.079 nan 8.240 nan 0.000 0.532 116 V N 1.424 121.354 119.914 0.026 0.000 2.255 116 V HA -0.160 3.961 4.120 0.002 0.000 0.247 116 V C 2.863 178.962 176.094 0.010 0.000 1.051 116 V CA 2.365 64.678 62.300 0.022 0.000 1.018 116 V CB -0.984 30.850 31.823 0.019 0.000 0.641 116 V HN 1.037 nan 8.190 nan 0.000 0.445 117 K N 0.240 120.641 120.400 0.002 0.000 1.991 117 K HA -0.292 4.029 4.320 0.002 0.000 0.212 117 K C 2.339 178.928 176.600 -0.019 0.000 1.049 117 K CA 2.144 58.426 56.287 -0.007 0.000 0.932 117 K CB -0.275 32.219 32.500 -0.010 0.000 0.717 117 K HN 0.195 nan 8.250 nan 0.000 0.441 118 R N 0.682 121.163 120.500 -0.031 0.000 2.133 118 R HA -0.158 4.183 4.340 0.002 0.000 0.245 118 R C 2.273 178.538 176.300 -0.059 0.000 1.137 118 R CA 1.807 57.870 56.100 -0.062 0.000 0.947 118 R CB -0.879 29.365 30.300 -0.094 0.000 0.865 118 R HN 0.299 nan 8.270 nan 0.000 0.437 119 L N -0.071 121.133 121.223 -0.032 0.000 2.201 119 L HA 0.077 4.418 4.340 0.002 0.000 0.212 119 L C 2.215 179.082 176.870 -0.006 0.000 1.105 119 L CA 1.808 56.641 54.840 -0.011 0.000 0.775 119 L CB -0.901 41.178 42.059 0.033 0.000 0.913 119 L HN 0.349 nan 8.230 nan 0.000 0.440 120 A N -0.562 122.256 122.820 -0.004 0.000 1.877 120 A HA -0.166 4.155 4.320 0.002 0.000 0.216 120 A C 2.473 180.053 177.584 -0.007 0.000 1.186 120 A CA 1.726 53.763 52.037 -0.000 0.000 0.620 120 A CB -0.930 18.070 19.000 0.001 0.000 0.822 120 A HN 0.372 nan 8.150 nan 0.000 0.443 121 A N -1.055 121.754 122.820 -0.018 0.000 2.019 121 A HA -0.009 4.313 4.320 0.002 0.000 0.219 121 A C 2.043 179.613 177.584 -0.024 0.000 1.164 121 A CA 1.683 53.707 52.037 -0.021 0.000 0.644 121 A CB -0.444 18.538 19.000 -0.030 0.000 0.805 121 A HN 0.575 nan 8.150 nan 0.000 0.449 122 L N -0.335 120.871 121.223 -0.029 0.000 2.240 122 L HA 0.033 4.374 4.340 0.002 0.000 0.211 122 L C 2.286 179.148 176.870 -0.012 0.000 1.106 122 L CA 1.681 56.502 54.840 -0.031 0.000 0.793 122 L CB -0.641 41.389 42.059 -0.048 0.000 0.927 122 L HN 0.508 nan 8.230 nan 0.000 0.446 123 R N 0.079 120.578 120.500 -0.002 0.000 2.133 123 R HA -0.214 4.128 4.340 0.002 0.000 0.245 123 R C -0.502 175.804 176.300 0.011 0.000 1.137 123 R CA 2.434 58.540 56.100 0.009 0.000 0.947 123 R CB -1.557 28.751 30.300 0.013 0.000 0.865 123 R HN 0.269 nan 8.270 nan 0.000 0.437 124 P HA -0.174 nan 4.420 nan 0.000 0.215 124 P C 0.825 178.136 177.300 0.018 0.000 1.163 124 P CA 1.593 64.700 63.100 0.011 0.000 0.894 124 P CB -0.099 31.603 31.700 0.004 0.000 0.791 125 R N -0.533 119.976 120.500 0.015 0.000 2.103 125 R HA -0.115 4.226 4.340 0.002 0.000 0.242 125 R C 2.346 178.668 176.300 0.037 0.000 1.142 125 R CA 1.405 57.521 56.100 0.028 0.000 0.960 125 R CB -1.730 28.578 30.300 0.012 0.000 0.858 125 R HN 0.261 nan 8.270 nan 0.000 0.439 126 I N 0.137 120.720 120.570 0.021 0.000 2.179 126 I HA -0.312 3.859 4.170 0.002 0.000 0.242 126 I C 2.385 178.527 176.117 0.043 0.000 1.088 126 I CA 1.206 62.521 61.300 0.025 0.000 1.357 126 I CB -0.386 37.622 38.000 0.013 0.000 1.051 126 I HN 0.200 nan 8.210 nan 0.000 0.409 127 Q N 0.784 120.606 119.800 0.038 0.000 2.061 127 Q HA -0.234 4.107 4.340 0.002 0.000 0.204 127 Q C 1.873 177.908 176.000 0.058 0.000 0.984 127 Q CA 1.857 57.685 55.803 0.042 0.000 0.846 127 Q CB -0.423 28.335 28.738 0.033 0.000 0.902 127 Q HN 0.491 nan 8.270 nan 0.000 0.421 128 D N 0.302 120.737 120.400 0.059 0.000 2.116 128 D HA -0.163 4.478 4.640 0.002 0.000 0.193 128 D C 2.043 178.410 176.300 0.112 0.000 0.998 128 D CA 0.986 55.030 54.000 0.073 0.000 0.836 128 D CB -0.398 40.442 40.800 0.067 0.000 0.951 128 D HN 0.272 nan 8.370 nan 0.000 0.449 129 I N 0.363 121.010 120.570 0.128 0.000 2.127 129 I HA -0.257 3.914 4.170 0.002 0.000 0.241 129 I C 2.442 178.729 176.117 0.283 0.000 1.075 129 I CA 0.777 62.197 61.300 0.201 0.000 1.334 129 I CB -0.290 37.818 38.000 0.180 0.000 1.040 129 I HN -0.079 nan 8.210 nan 0.000 0.405 130 V N 0.768 120.795 119.914 0.188 0.000 2.295 130 V HA -0.296 3.825 4.120 0.002 0.000 0.246 130 V C 2.133 178.313 176.094 0.143 0.000 1.049 130 V CA 1.996 64.396 62.300 0.168 0.000 1.024 130 V CB -0.716 31.150 31.823 0.072 0.000 0.648 130 V HN 0.403 nan 8.190 nan 0.000 0.447 131 D N -0.817 119.642 120.400 0.098 0.000 2.116 131 D HA -0.240 4.402 4.640 0.002 0.000 0.193 131 D C 1.973 178.296 176.300 0.039 0.000 0.998 131 D CA 2.147 56.179 54.000 0.054 0.000 0.836 131 D CB -0.386 40.443 40.800 0.048 0.000 0.951 131 D HN 0.668 nan 8.370 nan 0.000 0.449 132 H N -0.180 118.865 119.070 -0.042 0.000 2.251 132 H HA -0.172 4.385 4.556 0.002 0.000 0.294 132 H C 2.001 177.205 175.328 -0.206 0.000 1.078 132 H CA 1.914 57.861 56.048 -0.168 0.000 1.246 132 H CB -0.608 28.967 29.762 -0.312 0.000 1.358 132 H HN 0.043 nan 8.280 nan 0.000 0.488 133 F N 0.004 119.980 119.950 0.044 0.000 2.216 133 F HA -0.159 4.369 4.527 0.002 0.000 0.300 133 F C 2.442 178.192 175.800 -0.083 0.000 1.085 133 F CA 0.600 58.586 58.000 -0.024 0.000 1.326 133 F CB -0.287 38.750 39.000 0.062 0.000 1.027 133 F HN 0.276 nan 8.300 nan 0.000 0.497 134 I N -0.013 120.596 120.570 0.065 0.000 2.286 134 I HA -0.242 3.929 4.170 0.002 0.000 0.248 134 I C 1.795 177.855 176.117 -0.095 0.000 1.115 134 I CA 1.429 62.706 61.300 -0.039 0.000 1.392 134 I CB -1.046 36.919 38.000 -0.058 0.000 1.065 134 I HN 0.103 nan 8.210 nan 0.000 0.418 135 D N 0.901 121.229 120.400 -0.120 0.000 2.103 135 D HA -0.148 4.493 4.640 0.002 0.000 0.199 135 D C 1.729 177.952 176.300 -0.128 0.000 0.978 135 D CA 1.053 54.972 54.000 -0.134 0.000 0.829 135 D CB -0.301 40.400 40.800 -0.164 0.000 0.981 135 D HN 0.197 nan 8.370 nan 0.000 0.464 136 D N -0.138 120.136 120.400 -0.210 0.000 2.190 136 D HA -0.146 4.495 4.640 0.002 0.000 0.200 136 D C 2.041 178.354 176.300 0.020 0.000 0.992 136 D CA 0.724 54.648 54.000 -0.126 0.000 0.854 136 D CB -0.132 40.589 40.800 -0.132 0.000 0.936 136 D HN 0.253 nan 8.370 nan 0.000 0.462 137 M N -0.494 119.130 119.600 0.040 0.000 2.098 137 M HA -0.040 4.442 4.480 0.002 0.000 0.262 137 M C 1.519 177.958 176.300 0.231 0.000 1.072 137 M CA 0.811 56.191 55.300 0.133 0.000 1.133 137 M CB -0.108 32.498 32.600 0.011 0.000 1.344 137 M HN -0.052 nan 8.290 nan 0.000 0.414 138 L N 0.292 121.555 121.223 0.067 0.000 2.869 138 L HA -0.030 4.311 4.340 0.002 0.000 0.259 138 L C 0.973 177.958 176.870 0.193 0.000 1.162 138 L CA -0.134 54.800 54.840 0.157 0.000 0.975 138 L CB -0.660 41.387 42.059 -0.019 0.000 1.217 138 L HN 0.303 nan 8.230 nan 0.000 0.418 139 A N -1.560 121.367 122.820 0.178 0.000 2.699 139 A HA 0.139 4.461 4.320 0.002 0.000 0.242 139 A C 0.747 178.385 177.584 0.090 0.000 1.142 139 A CA -0.128 51.972 52.037 0.105 0.000 1.008 139 A CB 0.054 19.077 19.000 0.038 0.000 1.232 139 A HN 0.284 nan 8.150 nan 0.000 0.574 140 T N -0.236 114.401 114.554 0.137 0.000 2.918 140 T HA 0.352 4.703 4.350 0.002 0.000 0.302 140 T C -0.229 174.488 174.700 0.029 0.000 1.045 140 T CA 0.165 62.318 62.100 0.088 0.000 1.114 140 T CB 0.777 69.717 68.868 0.120 0.000 0.965 140 T HN 0.230 nan 8.240 nan 0.000 0.540 141 D N 2.404 122.806 120.400 0.003 0.000 2.889 141 D HA 0.097 4.739 4.640 0.002 0.000 0.243 141 D C 0.084 176.358 176.300 -0.044 0.000 1.270 141 D CA -0.234 53.747 54.000 -0.032 0.000 0.838 141 D CB 0.103 40.889 40.800 -0.023 0.000 1.040 141 D HN 0.657 nan 8.370 nan 0.000 0.480 142 Q N -0.033 119.737 119.800 -0.051 0.000 2.375 142 Q HA 0.426 4.767 4.340 0.002 0.000 0.271 142 Q C 0.391 176.323 176.000 -0.113 0.000 1.074 142 Q CA -0.892 54.875 55.803 -0.060 0.000 0.808 142 Q CB 2.292 31.015 28.738 -0.024 0.000 1.327 142 Q HN -0.203 nan 8.270 nan 0.000 0.441 143 R N 0.921 121.356 120.500 -0.107 0.000 2.064 143 R HA 0.021 4.362 4.340 0.002 0.000 0.228 143 R C -1.456 174.761 176.300 -0.139 0.000 1.144 143 R CA 1.320 57.340 56.100 -0.133 0.000 0.932 143 R CB -1.441 28.804 30.300 -0.092 0.000 0.833 143 R HN 0.501 nan 8.270 nan 0.000 0.429 144 P HA 0.273 nan 4.420 nan 0.000 0.296 144 P C -1.075 176.208 177.300 -0.029 0.000 1.301 144 P CA -0.287 62.777 63.100 -0.060 0.000 0.862 144 P CB 2.223 33.905 31.700 -0.029 0.000 1.046 145 V N 2.221 122.142 119.914 0.012 0.000 2.555 145 V HA 0.216 4.338 4.120 0.002 0.000 0.302 145 V C 0.112 176.250 176.094 0.072 0.000 1.038 145 V CA -0.440 61.902 62.300 0.070 0.000 0.887 145 V CB 1.764 33.694 31.823 0.177 0.000 0.991 145 V HN 0.521 nan 8.190 nan 0.000 0.434 146 D N 3.844 124.273 120.400 0.049 0.000 2.402 146 D HA 0.093 4.734 4.640 0.002 0.000 0.235 146 D C 1.076 177.392 176.300 0.028 0.000 1.226 146 D CA -0.180 53.835 54.000 0.026 0.000 0.918 146 D CB 0.915 41.719 40.800 0.008 0.000 1.043 146 D HN 0.458 nan 8.370 nan 0.000 0.506 147 L N 4.391 125.632 121.223 0.031 0.000 2.263 147 L HA -0.167 4.175 4.340 0.002 0.000 0.216 147 L C 1.392 178.250 176.870 -0.019 0.000 1.111 147 L CA 1.265 56.116 54.840 0.019 0.000 0.773 147 L CB -0.129 41.943 42.059 0.022 0.000 0.906 147 L HN 0.267 nan 8.230 nan 0.000 0.439 148 V N -0.429 119.464 119.914 -0.036 0.000 2.591 148 V HA -0.180 3.941 4.120 0.002 0.000 0.249 148 V C 2.418 178.476 176.094 -0.059 0.000 1.053 148 V CA 1.204 63.467 62.300 -0.062 0.000 1.068 148 V CB -0.265 31.512 31.823 -0.076 0.000 0.689 148 V HN 0.493 nan 8.190 nan 0.000 0.462 149 Q N -0.610 119.169 119.800 -0.035 0.000 2.402 149 Q HA 0.230 4.571 4.340 0.002 0.000 0.206 149 Q C 2.149 178.134 176.000 -0.025 0.000 0.919 149 Q CA 1.161 56.947 55.803 -0.028 0.000 0.923 149 Q CB 0.133 28.869 28.738 -0.003 0.000 1.048 149 Q HN 0.620 nan 8.270 nan 0.000 0.515 150 A N -0.145 122.671 122.820 -0.007 0.000 1.924 150 A HA 0.151 4.472 4.320 0.002 0.000 0.211 150 A C 1.844 179.395 177.584 -0.055 0.000 1.198 150 A CA 0.544 52.599 52.037 0.030 0.000 0.657 150 A CB 0.034 19.083 19.000 0.082 0.000 0.852 150 A HN 0.216 nan 8.150 nan 0.000 0.454 151 L N -2.237 118.935 121.223 -0.084 0.000 2.919 151 L HA 0.063 4.404 4.340 0.002 0.000 0.169 151 L C 2.566 179.342 176.870 -0.157 0.000 1.228 151 L CA 0.758 55.522 54.840 -0.127 0.000 0.862 151 L CB -0.517 41.501 42.059 -0.068 0.000 1.313 151 L HN 0.304 nan 8.230 nan 0.000 0.526 152 S N 0.839 116.478 115.700 -0.102 0.000 2.451 152 S HA -0.307 4.164 4.470 0.002 0.000 0.272 152 S C 1.672 176.222 174.600 -0.082 0.000 1.136 152 S CA 2.238 60.384 58.200 -0.090 0.000 1.209 152 S CB -0.581 62.567 63.200 -0.086 0.000 1.130 152 S HN 0.182 nan 8.310 nan 0.000 0.440 153 L N 2.008 123.176 121.223 -0.092 0.000 2.084 153 L HA 0.057 4.398 4.340 0.002 0.000 0.202 153 L C -0.716 176.166 176.870 0.020 0.000 1.074 153 L CA 1.380 56.208 54.840 -0.020 0.000 0.757 153 L CB -1.360 40.667 42.059 -0.053 0.000 0.918 153 L HN 0.200 nan 8.230 nan 0.000 0.444 154 P HA -0.127 nan 4.420 nan 0.000 0.217 154 P C 1.875 178.917 177.300 -0.431 0.000 1.150 154 P CA 1.383 64.222 63.100 -0.435 0.000 0.832 154 P CB 0.136 31.250 31.700 -0.977 0.000 0.787 155 V N 1.625 121.305 119.914 -0.390 0.000 2.237 155 V HA -0.141 3.981 4.120 0.002 0.000 0.245 155 V C -0.188 175.835 176.094 -0.119 0.000 1.046 155 V CA 2.891 65.074 62.300 -0.195 0.000 1.007 155 V CB -2.507 29.242 31.823 -0.124 0.000 0.638 155 V HN 0.146 nan 8.190 nan 0.000 0.445 156 P HA -0.155 nan 4.420 nan 0.000 0.215 156 P C 2.095 179.278 177.300 -0.195 0.000 1.153 156 P CA 2.245 65.318 63.100 -0.045 0.000 0.853 156 P CB -0.194 31.577 31.700 0.117 0.000 0.788 157 S N -0.703 114.741 115.700 -0.428 0.000 2.368 157 S HA -0.123 4.348 4.470 0.002 0.000 0.224 157 S C 1.972 176.409 174.600 -0.273 0.000 1.029 157 S CA 1.152 59.001 58.200 -0.585 0.000 0.988 157 S CB -1.698 61.033 63.200 -0.781 0.000 0.838 157 S HN 0.062 nan 8.310 nan 0.000 0.462 158 L N 1.115 122.190 121.223 -0.245 0.000 2.093 158 L HA -0.014 4.327 4.340 0.002 0.000 0.208 158 L C 2.694 179.365 176.870 -0.332 0.000 1.085 158 L CA 0.681 55.327 54.840 -0.323 0.000 0.755 158 L CB -0.607 41.342 42.059 -0.185 0.000 0.904 158 L HN 0.220 nan 8.230 nan 0.000 0.435 159 V N 0.150 119.942 119.914 -0.203 0.000 2.332 159 V HA -0.313 3.808 4.120 0.002 0.000 0.248 159 V C 2.299 178.273 176.094 -0.201 0.000 1.055 159 V CA 1.861 64.069 62.300 -0.153 0.000 1.038 159 V CB -0.310 31.464 31.823 -0.081 0.000 0.651 159 V HN 0.331 nan 8.190 nan 0.000 0.450 160 I N 0.567 121.006 120.570 -0.219 0.000 2.252 160 I HA -0.270 3.901 4.170 0.002 0.000 0.245 160 I C 2.763 178.643 176.117 -0.395 0.000 1.102 160 I CA 1.781 62.946 61.300 -0.224 0.000 1.385 160 I CB -0.530 37.385 38.000 -0.141 0.000 1.064 160 I HN 0.616 nan 8.210 nan 0.000 0.414 161 C N 0.423 119.324 119.300 -0.665 0.000 2.425 161 C HA -0.154 4.307 4.460 0.002 0.000 0.277 161 C C 2.670 177.306 174.990 -0.591 0.000 1.280 161 C CA 0.995 59.382 59.018 -1.052 0.000 1.744 161 C CB -0.844 25.834 27.740 -1.770 0.000 1.989 161 C HN 0.504 nan 8.230 nan 0.000 0.491 162 E N 1.097 121.035 120.200 -0.436 0.000 2.077 162 E HA -0.167 4.184 4.350 0.002 0.000 0.193 162 E C 1.957 178.419 176.600 -0.230 0.000 0.989 162 E CA 1.517 57.769 56.400 -0.247 0.000 0.800 162 E CB -0.602 29.002 29.700 -0.161 0.000 0.746 162 E HN 0.639 nan 8.360 nan 0.000 0.452 163 L N 0.208 121.277 121.223 -0.257 0.000 1.994 163 L HA -0.083 4.258 4.340 0.002 0.000 0.208 163 L C 2.203 178.861 176.870 -0.352 0.000 1.071 163 L CA 1.694 56.378 54.840 -0.260 0.000 0.745 163 L CB -0.664 41.254 42.059 -0.235 0.000 0.892 163 L HN 0.279 nan 8.230 nan 0.000 0.431 164 L N -0.343 120.598 121.223 -0.468 0.000 2.079 164 L HA -0.072 4.269 4.340 0.002 0.000 0.210 164 L C 1.629 178.083 176.870 -0.694 0.000 1.081 164 L CA 1.220 55.580 54.840 -0.800 0.000 0.752 164 L CB -0.829 40.721 42.059 -0.848 0.000 0.896 164 L HN 0.651 nan 8.230 nan 0.000 0.433 165 G N -0.339 108.235 108.800 -0.376 0.000 2.145 165 G HA2 -0.174 3.787 3.960 0.002 0.000 0.145 165 G HA3 -0.174 3.787 3.960 0.002 0.000 0.145 165 G C 0.144 175.017 174.900 -0.045 0.000 1.017 165 G CA -0.112 44.889 45.100 -0.165 0.000 0.682 165 G HN 0.233 nan 8.290 nan 0.000 0.504 166 V N -1.238 118.628 119.914 -0.081 0.000 2.740 166 V HA 0.657 4.779 4.120 0.002 0.000 0.303 166 V C -1.429 174.746 176.094 0.135 0.000 1.054 166 V CA -1.675 60.670 62.300 0.075 0.000 1.106 166 V CB 0.716 32.584 31.823 0.074 0.000 0.957 166 V HN 0.082 nan 8.190 nan 0.000 0.486 167 P HA 0.116 nan 4.420 nan 0.000 0.268 167 P C 0.135 177.561 177.300 0.210 0.000 1.205 167 P CA 0.077 63.287 63.100 0.185 0.000 0.771 167 P CB 0.217 32.020 31.700 0.172 0.000 0.858 168 Y N 3.048 123.351 120.300 0.005 0.000 2.193 168 Y HA -0.261 4.290 4.550 0.002 0.000 0.285 168 Y C 1.634 177.370 175.900 -0.272 0.000 1.166 168 Y CA 2.420 60.348 58.100 -0.288 0.000 1.181 168 Y CB -0.956 37.322 38.460 -0.303 0.000 0.976 168 Y HN 0.316 nan 8.280 nan 0.000 0.520 169 T N -1.981 112.618 114.554 0.076 0.000 3.584 169 T HA 0.019 4.370 4.350 0.002 0.000 0.252 169 T C 0.416 175.117 174.700 0.002 0.000 1.103 169 T CA 0.750 62.867 62.100 0.028 0.000 0.977 169 T CB -0.260 68.663 68.868 0.092 0.000 1.044 169 T HN 0.433 nan 8.240 nan 0.000 0.589 170 D N -0.324 120.095 120.400 0.033 0.000 2.510 170 D HA 0.076 4.717 4.640 0.002 0.000 0.234 170 D C 1.395 177.817 176.300 0.205 0.000 1.178 170 D CA -0.236 53.829 54.000 0.109 0.000 0.816 170 D CB -0.037 40.873 40.800 0.184 0.000 1.143 170 D HN 0.512 nan 8.370 nan 0.000 0.526 171 H N 1.406 120.425 119.070 -0.086 0.000 2.292 171 H HA -0.178 4.379 4.556 0.002 0.000 0.292 171 H C 1.201 176.543 175.328 0.024 0.000 1.100 171 H CA 1.467 57.466 56.048 -0.081 0.000 1.238 171 H CB 0.305 29.896 29.762 -0.284 0.000 1.355 171 H HN 0.056 nan 8.280 nan 0.000 0.484 172 D N 0.039 120.517 120.400 0.131 0.000 2.116 172 D HA -0.165 4.476 4.640 0.002 0.000 0.193 172 D C 1.881 178.258 176.300 0.129 0.000 0.998 172 D CA 1.002 55.069 54.000 0.112 0.000 0.836 172 D CB -0.442 40.402 40.800 0.075 0.000 0.951 172 D HN 0.209 nan 8.370 nan 0.000 0.449 173 F N 0.088 120.028 119.950 -0.017 0.000 2.051 173 F HA -0.167 4.361 4.527 0.002 0.000 0.296 173 F C 2.058 177.827 175.800 -0.052 0.000 1.122 173 F CA 1.195 59.149 58.000 -0.076 0.000 1.201 173 F CB -0.767 38.114 39.000 -0.199 0.000 0.978 173 F HN -0.036 nan 8.300 nan 0.000 0.472 174 F N 1.003 120.856 119.950 -0.162 0.000 2.202 174 F HA -0.259 4.269 4.527 0.002 0.000 0.301 174 F C 2.715 178.371 175.800 -0.240 0.000 1.082 174 F CA 2.131 59.988 58.000 -0.238 0.000 1.313 174 F CB -0.528 38.423 39.000 -0.083 0.000 1.024 174 F HN 0.171 nan 8.300 nan 0.000 0.495 175 Q N -0.222 119.613 119.800 0.058 0.000 2.123 175 Q HA -0.174 4.168 4.340 0.002 0.000 0.199 175 Q C 2.378 178.340 176.000 -0.063 0.000 0.966 175 Q CA 1.810 57.624 55.803 0.018 0.000 0.845 175 Q CB -0.121 28.668 28.738 0.084 0.000 0.907 175 Q HN 0.526 nan 8.270 nan 0.000 0.439 176 S N 0.267 115.904 115.700 -0.104 0.000 2.355 176 S HA -0.107 4.364 4.470 0.002 0.000 0.222 176 S C 1.872 176.364 174.600 -0.180 0.000 1.031 176 S CA 0.551 58.684 58.200 -0.111 0.000 0.993 176 S CB -0.243 62.904 63.200 -0.088 0.000 0.859 176 S HN 0.287 nan 8.310 nan 0.000 0.453 177 R N 1.948 122.238 120.500 -0.349 0.000 2.066 177 R HA -0.006 4.335 4.340 0.002 0.000 0.232 177 R C 2.912 179.052 176.300 -0.268 0.000 1.131 177 R CA 1.956 57.840 56.100 -0.359 0.000 0.955 177 R CB -2.277 27.663 30.300 -0.600 0.000 0.851 177 R HN 0.799 nan 8.270 nan 0.000 0.432 178 T N -1.139 113.212 114.554 -0.337 0.000 2.720 178 T HA -0.127 4.224 4.350 0.002 0.000 0.268 178 T C 1.969 176.688 174.700 0.031 0.000 1.037 178 T CA 1.988 63.975 62.100 -0.188 0.000 1.144 178 T CB -0.695 68.027 68.868 -0.243 0.000 0.864 178 T HN 0.147 nan 8.240 nan 0.000 0.444 179 T N 1.702 116.266 114.554 0.016 0.000 2.788 179 T HA 0.093 4.444 4.350 0.002 0.000 0.268 179 T C 2.009 176.703 174.700 -0.010 0.000 1.044 179 T CA 1.367 63.484 62.100 0.028 0.000 1.139 179 T CB -0.391 68.479 68.868 0.004 0.000 0.867 179 T HN 0.344 nan 8.240 nan 0.000 0.454 180 M N 0.245 119.829 119.600 -0.027 0.000 2.132 180 M HA 0.016 4.497 4.480 0.002 0.000 0.263 180 M C 2.253 178.566 176.300 0.021 0.000 1.065 180 M CA 1.509 56.803 55.300 -0.011 0.000 1.122 180 M CB -0.450 32.136 32.600 -0.022 0.000 1.365 180 M HN 0.245 nan 8.290 nan 0.000 0.411 181 M N -0.616 119.005 119.600 0.035 0.000 2.530 181 M HA -0.137 4.345 4.480 0.002 0.000 0.261 181 M C 1.080 177.434 176.300 0.089 0.000 1.067 181 M CA 0.802 56.174 55.300 0.121 0.000 1.071 181 M CB -0.117 32.558 32.600 0.125 0.000 1.405 181 M HN 0.076 nan 8.290 nan 0.000 0.478 182 V N -1.529 118.397 119.914 0.020 0.000 3.380 182 V HA 0.085 4.206 4.120 0.002 0.000 0.307 182 V C 0.846 176.932 176.094 -0.014 0.000 1.434 182 V CA -0.081 62.207 62.300 -0.020 0.000 1.075 182 V CB -0.515 31.235 31.823 -0.122 0.000 0.954 182 V HN 0.447 nan 8.190 nan 0.000 0.444 183 S N 0.990 116.690 115.700 0.000 0.000 2.559 183 S HA 0.007 4.478 4.470 0.002 0.000 0.282 183 S C 0.947 175.548 174.600 0.002 0.000 1.336 183 S CA 0.136 58.335 58.200 -0.002 0.000 1.037 183 S CB 0.669 63.870 63.200 0.002 0.000 0.853 183 S HN 0.541 nan 8.310 nan 0.000 0.523 184 R N 0.413 120.910 120.500 -0.005 0.000 2.317 184 R HA 0.168 4.509 4.340 0.002 0.000 0.208 184 R C -0.406 175.881 176.300 -0.021 0.000 0.914 184 R CA 0.322 56.416 56.100 -0.010 0.000 1.060 184 R CB 0.000 30.279 30.300 -0.036 0.000 1.015 184 R HN 0.770 nan 8.270 nan 0.000 0.498 185 T N -0.725 113.820 114.554 -0.015 0.000 2.903 185 T HA 0.209 4.560 4.350 0.002 0.000 0.299 185 T C -1.247 173.449 174.700 -0.008 0.000 1.093 185 T CA -0.373 61.717 62.100 -0.016 0.000 1.002 185 T CB 1.720 70.576 68.868 -0.021 0.000 1.127 185 T HN 0.070 nan 8.240 nan 0.000 0.488 186 S N 1.511 117.206 115.700 -0.008 0.000 3.516 186 S HA -0.146 4.326 4.470 0.002 0.000 0.562 186 S C 0.445 175.044 174.600 -0.003 0.000 0.655 186 S CA -0.116 58.081 58.200 -0.005 0.000 1.400 186 S CB -0.959 62.240 63.200 -0.002 0.000 0.946 186 S HN 0.647 nan 8.310 nan 0.000 0.871 187 M N 3.071 122.666 119.600 -0.008 0.000 2.726 187 M HA 0.224 4.705 4.480 0.002 0.000 0.211 187 M C 1.287 177.578 176.300 -0.017 0.000 1.190 187 M CA 0.829 56.121 55.300 -0.013 0.000 1.000 187 M CB 0.056 32.643 32.600 -0.022 0.000 1.790 187 M HN 0.670 nan 8.290 nan 0.000 0.467 188 E N 0.460 120.657 120.200 -0.006 0.000 2.307 188 E HA -0.048 4.303 4.350 0.002 0.000 0.192 188 E C 1.320 177.928 176.600 0.012 0.000 0.967 188 E CA 1.099 57.497 56.400 -0.003 0.000 1.042 188 E CB -0.038 29.661 29.700 -0.002 0.000 1.126 188 E HN 0.393 nan 8.360 nan 0.000 0.484 189 D N 0.621 121.030 120.400 0.016 0.000 2.311 189 D HA -0.198 4.443 4.640 0.002 0.000 0.212 189 D C 1.563 177.887 176.300 0.040 0.000 0.972 189 D CA 0.849 54.864 54.000 0.025 0.000 0.887 189 D CB -0.341 40.470 40.800 0.017 0.000 0.915 189 D HN 0.190 nan 8.370 nan 0.000 0.497 190 R N -0.085 120.442 120.500 0.045 0.000 2.062 190 R HA 0.023 4.364 4.340 0.002 0.000 0.231 190 R C 2.440 178.826 176.300 0.142 0.000 1.136 190 R CA 1.168 57.320 56.100 0.087 0.000 0.948 190 R CB -0.373 29.974 30.300 0.077 0.000 0.845 190 R HN 0.074 nan 8.270 nan 0.000 0.430 191 R N 1.103 121.651 120.500 0.080 0.000 2.096 191 R HA -0.152 4.190 4.340 0.002 0.000 0.240 191 R C 2.312 178.693 176.300 0.135 0.000 1.139 191 R CA 1.762 57.908 56.100 0.077 0.000 0.952 191 R CB -0.303 29.991 30.300 -0.009 0.000 0.854 191 R HN 0.109 nan 8.270 nan 0.000 0.436 192 R N -0.498 120.055 120.500 0.087 0.000 2.103 192 R HA -0.181 4.161 4.340 0.002 0.000 0.242 192 R C 1.978 178.338 176.300 0.099 0.000 1.142 192 R CA 1.827 57.977 56.100 0.083 0.000 0.960 192 R CB -0.378 29.956 30.300 0.057 0.000 0.858 192 R HN 0.349 nan 8.270 nan 0.000 0.439 193 A N -0.017 122.853 122.820 0.085 0.000 1.898 193 A HA -0.153 4.169 4.320 0.002 0.000 0.216 193 A C 2.000 179.626 177.584 0.070 0.000 1.181 193 A CA 1.036 53.086 52.037 0.022 0.000 0.620 193 A CB -0.722 18.262 19.000 -0.027 0.000 0.819 193 A HN 0.449 nan 8.150 nan 0.000 0.442 194 F N 0.502 120.468 119.950 0.026 0.000 2.161 194 F HA -0.167 4.361 4.527 0.002 0.000 0.300 194 F C 2.615 178.460 175.800 0.075 0.000 1.089 194 F CA 1.336 59.386 58.000 0.083 0.000 1.282 194 F CB -0.085 38.938 39.000 0.038 0.000 1.010 194 F HN 0.278 nan 8.300 nan 0.000 0.485 195 A N -0.262 122.714 122.820 0.260 0.000 1.854 195 A HA -0.153 4.168 4.320 0.002 0.000 0.214 195 A C 2.033 179.726 177.584 0.181 0.000 1.192 195 A CA 1.533 53.677 52.037 0.178 0.000 0.611 195 A CB -0.813 18.264 19.000 0.129 0.000 0.832 195 A HN 0.434 nan 8.150 nan 0.000 0.442 196 E N -0.243 120.061 120.200 0.174 0.000 2.130 196 E HA -0.191 4.160 4.350 0.002 0.000 0.196 196 E C 1.937 178.730 176.600 0.322 0.000 0.998 196 E CA 1.113 57.660 56.400 0.245 0.000 0.806 196 E CB -0.244 29.580 29.700 0.207 0.000 0.738 196 E HN 0.600 nan 8.360 nan 0.000 0.459 197 L N 0.248 121.583 121.223 0.186 0.000 2.007 197 L HA -0.140 4.201 4.340 0.002 0.000 0.205 197 L C 2.752 179.885 176.870 0.439 0.000 1.073 197 L CA 1.078 56.053 54.840 0.225 0.000 0.744 197 L CB -0.190 41.865 42.059 -0.006 0.000 0.898 197 L HN 0.026 nan 8.230 nan 0.000 0.435 198 R N 0.156 120.909 120.500 0.422 0.000 2.133 198 R HA -0.238 4.103 4.340 0.002 0.000 0.247 198 R C 2.028 178.467 176.300 0.231 0.000 1.151 198 R CA 1.772 58.017 56.100 0.243 0.000 0.971 198 R CB -0.307 29.954 30.300 -0.065 0.000 0.866 198 R HN 0.442 nan 8.270 nan 0.000 0.447 199 A N -0.172 122.791 122.820 0.237 0.000 1.840 199 A HA -0.174 4.147 4.320 0.002 0.000 0.214 199 A C 2.046 179.788 177.584 0.262 0.000 1.198 199 A CA 1.253 53.418 52.037 0.213 0.000 0.608 199 A CB -1.088 18.034 19.000 0.203 0.000 0.839 199 A HN 0.582 nan 8.150 nan 0.000 0.443 200 Y N 0.818 121.260 120.300 0.238 0.000 2.081 200 Y HA -0.241 4.310 4.550 0.003 0.000 0.280 200 Y C 2.017 178.057 175.900 0.233 0.000 1.163 200 Y CA 1.867 60.118 58.100 0.251 0.000 1.135 200 Y CB -0.486 38.258 38.460 0.473 0.000 0.970 200 Y HN 0.270 nan 8.280 nan 0.000 0.498 201 I N 0.028 120.657 120.570 0.098 0.000 2.361 201 I HA -0.272 3.899 4.170 0.002 0.000 0.251 201 I C 2.356 178.434 176.117 -0.065 0.000 1.133 201 I CA 1.614 62.913 61.300 -0.001 0.000 1.413 201 I CB -0.509 37.645 38.000 0.256 0.000 1.073 201 I HN 0.339 nan 8.210 nan 0.000 0.424 202 D N 1.222 121.645 120.400 0.039 0.000 2.097 202 D HA -0.206 4.435 4.640 0.002 0.000 0.195 202 D C 1.615 177.965 176.300 0.082 0.000 0.989 202 D CA 1.486 55.514 54.000 0.048 0.000 0.827 202 D CB -0.002 40.870 40.800 0.119 0.000 0.966 202 D HN 0.308 nan 8.370 nan 0.000 0.456 203 D N 0.678 121.102 120.400 0.039 0.000 2.149 203 D HA -0.109 4.533 4.640 0.002 0.000 0.201 203 D C 2.297 178.570 176.300 -0.045 0.000 0.972 203 D CA 0.088 54.101 54.000 0.022 0.000 0.835 203 D CB -0.203 40.621 40.800 0.040 0.000 0.966 203 D HN 0.275 nan 8.370 nan 0.000 0.476 204 L N 0.939 122.064 121.223 -0.165 0.000 2.042 204 L HA -0.184 4.158 4.340 0.002 0.000 0.210 204 L C 2.389 179.169 176.870 -0.149 0.000 1.076 204 L CA 1.099 55.816 54.840 -0.205 0.000 0.749 204 L CB -0.139 41.679 42.059 -0.400 0.000 0.893 204 L HN -0.032 nan 8.230 nan 0.000 0.432 205 I N -0.810 119.601 120.570 -0.265 0.000 2.252 205 I HA -0.284 3.888 4.170 0.002 0.000 0.245 205 I C 2.367 178.460 176.117 -0.039 0.000 1.102 205 I CA 1.637 62.723 61.300 -0.358 0.000 1.385 205 I CB -0.581 37.011 38.000 -0.680 0.000 1.064 205 I HN 0.311 nan 8.210 nan 0.000 0.414 206 T N 0.464 115.086 114.554 0.112 0.000 2.720 206 T HA -0.216 4.135 4.350 0.002 0.000 0.268 206 T C 2.000 176.704 174.700 0.006 0.000 1.037 206 T CA 1.394 63.534 62.100 0.067 0.000 1.144 206 T CB -0.319 68.542 68.868 -0.012 0.000 0.864 206 T HN 0.312 nan 8.240 nan 0.000 0.444 207 R N 0.731 121.229 120.500 -0.003 0.000 2.092 207 R HA 0.038 4.379 4.340 0.002 0.000 0.231 207 R C 2.598 178.902 176.300 0.008 0.000 1.119 207 R CA 0.834 56.935 56.100 0.001 0.000 0.970 207 R CB -0.045 30.259 30.300 0.006 0.000 0.864 207 R HN 0.182 nan 8.270 nan 0.000 0.440 208 K N 0.952 121.355 120.400 0.005 0.000 2.097 208 K HA -0.141 4.180 4.320 0.002 0.000 0.205 208 K C 1.812 178.422 176.600 0.018 0.000 1.050 208 K CA 1.253 57.554 56.287 0.023 0.000 0.938 208 K CB -0.061 32.462 32.500 0.039 0.000 0.718 208 K HN 0.363 nan 8.250 nan 0.000 0.442 209 E N 0.989 121.195 120.200 0.010 0.000 2.130 209 E HA -0.129 4.222 4.350 0.002 0.000 0.196 209 E C 0.252 176.857 176.600 0.008 0.000 0.998 209 E CA 1.167 57.575 56.400 0.013 0.000 0.806 209 E CB -0.018 29.690 29.700 0.013 0.000 0.738 209 E HN 0.202 nan 8.360 nan 0.000 0.459 210 S N 0.753 116.456 115.700 0.005 0.000 2.601 210 S HA 0.321 4.792 4.470 0.002 0.000 0.312 210 S C -0.540 174.065 174.600 0.008 0.000 1.107 210 S CA -0.768 57.434 58.200 0.004 0.000 1.129 210 S CB 1.259 64.458 63.200 -0.002 0.000 0.982 210 S HN 0.282 nan 8.310 nan 0.000 0.469 211 E N 1.115 121.322 120.200 0.011 0.000 5.688 211 E HA -0.092 4.259 4.350 0.002 0.000 0.186 211 E C -2.818 173.794 176.600 0.020 0.000 1.158 211 E CA -0.210 56.199 56.400 0.014 0.000 1.304 211 E CB -1.105 28.603 29.700 0.013 0.000 0.990 211 E HN 0.515 nan 8.360 nan 0.000 0.358 212 P HA 0.611 nan 4.420 nan 0.000 0.318 212 P C 0.268 177.585 177.300 0.028 0.000 1.309 212 P CA 0.460 63.578 63.100 0.031 0.000 0.736 212 P CB 0.671 32.387 31.700 0.027 0.000 1.440 213 G N -1.485 107.332 108.800 0.028 0.000 2.677 213 G HA2 0.333 4.295 3.960 0.002 0.000 0.283 213 G HA3 0.333 4.295 3.960 0.002 0.000 0.283 213 G C -1.616 173.289 174.900 0.008 0.000 1.221 213 G CA -0.144 44.967 45.100 0.019 0.000 0.851 213 G HN 0.361 nan 8.290 nan 0.000 0.504 214 D N 0.997 121.396 120.400 -0.002 0.000 2.622 214 D HA 0.462 5.103 4.640 0.002 0.000 0.262 214 D C -0.699 175.581 176.300 -0.033 0.000 1.189 214 D CA -0.386 53.604 54.000 -0.017 0.000 0.985 214 D CB -0.246 40.542 40.800 -0.020 0.000 0.994 214 D HN 0.484 nan 8.370 nan 0.000 0.513 215 D N -0.787 119.593 120.400 -0.033 0.000 2.610 215 D HA 0.164 4.805 4.640 0.002 0.000 0.271 215 D C 1.079 177.332 176.300 -0.080 0.000 1.174 215 D CA -0.851 53.105 54.000 -0.073 0.000 0.949 215 D CB 1.101 41.861 40.800 -0.066 0.000 1.430 215 D HN 0.043 nan 8.370 nan 0.000 0.467 216 L N -0.379 120.745 121.223 -0.165 0.000 2.017 216 L HA -0.005 4.336 4.340 0.002 0.000 0.208 216 L C 1.702 178.572 176.870 -0.000 0.000 1.073 216 L CA 1.174 55.922 54.840 -0.154 0.000 0.745 216 L CB -0.310 41.581 42.059 -0.280 0.000 0.894 216 L HN 0.535 nan 8.230 nan 0.000 0.432 217 F N -0.162 119.754 119.950 -0.058 0.000 2.043 217 F HA -0.324 4.205 4.527 0.003 0.000 0.297 217 F C 2.689 178.471 175.800 -0.030 0.000 1.121 217 F CA 1.231 59.205 58.000 -0.043 0.000 1.199 217 F CB -0.427 38.546 39.000 -0.045 0.000 0.968 217 F HN 0.143 nan 8.300 nan 0.000 0.478 218 S N -0.068 115.744 115.700 0.186 0.000 2.359 218 S HA -0.291 4.180 4.470 0.002 0.000 0.223 218 S C 1.803 176.439 174.600 0.060 0.000 1.039 218 S CA 1.547 59.802 58.200 0.091 0.000 1.042 218 S CB -0.540 62.694 63.200 0.057 0.000 0.915 218 S HN 0.248 nan 8.310 nan 0.000 0.439 219 R N 0.856 121.380 120.500 0.040 0.000 2.103 219 R HA -0.101 4.240 4.340 0.002 0.000 0.242 219 R C 2.671 178.988 176.300 0.029 0.000 1.142 219 R CA 1.442 57.551 56.100 0.016 0.000 0.960 219 R CB -0.181 30.110 30.300 -0.015 0.000 0.858 219 R HN 0.347 nan 8.270 nan 0.000 0.439 220 Q N 0.061 119.894 119.800 0.055 0.000 2.046 220 Q HA -0.102 4.240 4.340 0.002 0.000 0.200 220 Q C 2.250 178.281 176.000 0.052 0.000 0.975 220 Q CA 1.415 57.254 55.803 0.061 0.000 0.836 220 Q CB -0.173 28.628 28.738 0.104 0.000 0.896 220 Q HN 0.439 nan 8.270 nan 0.000 0.428 221 I N 0.879 121.483 120.570 0.057 0.000 2.335 221 I HA -0.285 3.886 4.170 0.002 0.000 0.251 221 I C 2.326 178.461 176.117 0.030 0.000 1.129 221 I CA 1.074 62.396 61.300 0.037 0.000 1.402 221 I CB -0.473 37.547 38.000 0.033 0.000 1.069 221 I HN 0.056 nan 8.210 nan 0.000 0.424 222 A N 1.926 124.763 122.820 0.029 0.000 1.898 222 A HA -0.229 4.092 4.320 0.002 0.000 0.216 222 A C 2.347 179.941 177.584 0.017 0.000 1.181 222 A CA 2.022 54.071 52.037 0.020 0.000 0.620 222 A CB -0.545 18.465 19.000 0.016 0.000 0.819 222 A HN 0.521 nan 8.150 nan 0.000 0.442 223 R N -0.212 120.299 120.500 0.018 0.000 2.075 223 R HA -0.078 4.263 4.340 0.002 0.000 0.232 223 R C 2.040 178.350 176.300 0.017 0.000 1.126 223 R CA 1.792 57.901 56.100 0.015 0.000 0.963 223 R CB -0.838 29.471 30.300 0.015 0.000 0.858 223 R HN 0.552 nan 8.270 nan 0.000 0.435 224 Q N 0.356 120.169 119.800 0.022 0.000 2.112 224 Q HA -0.135 4.207 4.340 0.002 0.000 0.206 224 Q C 2.313 178.324 176.000 0.018 0.000 0.987 224 Q CA 2.153 57.969 55.803 0.022 0.000 0.858 224 Q CB -0.121 28.633 28.738 0.027 0.000 0.905 224 Q HN 0.419 nan 8.270 nan 0.000 0.420 225 R N 0.305 120.815 120.500 0.017 0.000 2.070 225 R HA -0.177 4.164 4.340 0.002 0.000 0.232 225 R C 2.414 178.721 176.300 0.011 0.000 1.138 225 R CA 1.598 57.706 56.100 0.014 0.000 0.936 225 R CB -0.397 29.910 30.300 0.013 0.000 0.839 225 R HN 0.322 nan 8.270 nan 0.000 0.429 226 Q N 0.835 120.641 119.800 0.010 0.000 2.112 226 Q HA -0.222 4.119 4.340 0.002 0.000 0.206 226 Q C 1.450 177.455 176.000 0.007 0.000 0.987 226 Q CA 1.729 57.536 55.803 0.008 0.000 0.858 226 Q CB 0.159 28.901 28.738 0.007 0.000 0.905 226 Q HN 0.434 nan 8.270 nan 0.000 0.420 227 E N -1.386 118.819 120.200 0.009 0.000 2.013 227 E HA -0.026 4.325 4.350 0.002 0.000 0.194 227 E C 1.538 178.143 176.600 0.009 0.000 0.973 227 E CA 0.847 57.252 56.400 0.009 0.000 0.842 227 E CB -0.115 29.591 29.700 0.010 0.000 0.801 227 E HN 0.447 nan 8.360 nan 0.000 0.476 228 G N -0.691 108.116 108.800 0.011 0.000 2.472 228 G HA2 0.124 4.086 3.960 0.002 0.000 0.199 228 G HA3 0.124 4.086 3.960 0.002 0.000 0.199 228 G C 0.064 174.972 174.900 0.012 0.000 1.547 228 G CA 0.528 45.635 45.100 0.011 0.000 0.701 228 G HN 0.283 nan 8.290 nan 0.000 0.623 229 T N -0.547 114.016 114.554 0.015 0.000 2.889 229 T HA 0.511 4.863 4.350 0.002 0.000 0.315 229 T C -1.200 173.513 174.700 0.022 0.000 1.291 229 T CA -0.573 61.537 62.100 0.016 0.000 1.028 229 T CB 1.310 70.187 68.868 0.015 0.000 1.235 229 T HN 0.178 nan 8.240 nan 0.000 0.491 230 L N 2.568 123.806 121.223 0.024 0.000 2.467 230 L HA 0.417 4.758 4.340 0.002 0.000 0.270 230 L C -0.267 176.628 176.870 0.042 0.000 1.205 230 L CA 0.268 55.129 54.840 0.034 0.000 0.828 230 L CB 0.572 42.653 42.059 0.038 0.000 1.101 230 L HN 0.733 nan 8.230 nan 0.000 0.479 231 D N 0.624 121.055 120.400 0.052 0.000 2.517 231 D HA 0.107 4.748 4.640 0.002 0.000 0.263 231 D C 0.557 176.894 176.300 0.063 0.000 1.233 231 D CA -0.356 53.677 54.000 0.055 0.000 0.849 231 D CB 0.409 41.233 40.800 0.040 0.000 1.261 231 D HN 0.514 nan 8.370 nan 0.000 0.516 232 H N 2.130 121.190 119.070 -0.017 0.000 2.319 232 H HA -0.110 4.448 4.556 0.002 0.000 0.297 232 H C 1.826 177.141 175.328 -0.022 0.000 1.097 232 H CA 2.724 58.751 56.048 -0.036 0.000 1.285 232 H CB 0.431 30.169 29.762 -0.040 0.000 1.368 232 H HN 0.403 nan 8.280 nan 0.000 0.495 233 A N -0.157 122.703 122.820 0.067 0.000 1.851 233 A HA -0.133 4.188 4.320 0.002 0.000 0.216 233 A C 2.774 180.359 177.584 0.002 0.000 1.195 233 A CA 1.762 53.812 52.037 0.023 0.000 0.622 233 A CB -1.510 17.518 19.000 0.047 0.000 0.831 233 A HN 0.607 nan 8.150 nan 0.000 0.444 234 G N -0.499 108.314 108.800 0.022 0.000 2.469 234 G HA2 -0.215 3.746 3.960 0.002 0.000 0.220 234 G HA3 -0.215 3.746 3.960 0.002 0.000 0.220 234 G C 1.474 176.397 174.900 0.038 0.000 1.136 234 G CA 1.392 46.514 45.100 0.037 0.000 0.759 234 G HN 0.470 nan 8.290 nan 0.000 0.562 235 L N 1.251 122.465 121.223 -0.015 0.000 2.072 235 L HA 0.030 4.371 4.340 0.002 0.000 0.205 235 L C 3.027 179.896 176.870 -0.001 0.000 1.079 235 L CA 1.895 56.722 54.840 -0.022 0.000 0.752 235 L CB -0.414 41.558 42.059 -0.145 0.000 0.906 235 L HN 0.211 nan 8.230 nan 0.000 0.436 236 V N -4.043 115.818 119.914 -0.089 0.000 2.626 236 V HA -0.125 3.997 4.120 0.002 0.000 0.252 236 V C 2.233 178.457 176.094 0.217 0.000 1.067 236 V CA 1.861 64.178 62.300 0.029 0.000 1.081 236 V CB -0.862 30.937 31.823 -0.040 0.000 0.686 236 V HN 0.404 nan 8.190 nan 0.000 0.468 237 S N 0.678 116.460 115.700 0.138 0.000 2.406 237 S HA 0.010 4.481 4.470 0.002 0.000 0.228 237 S C 1.726 176.458 174.600 0.220 0.000 1.020 237 S CA 1.602 59.904 58.200 0.170 0.000 0.965 237 S CB -0.313 62.947 63.200 0.101 0.000 0.798 237 S HN 0.588 nan 8.310 nan 0.000 0.488 238 L N 2.260 123.598 121.223 0.193 0.000 2.046 238 L HA 0.038 4.379 4.340 0.002 0.000 0.208 238 L C 2.341 179.343 176.870 0.219 0.000 1.077 238 L CA 1.847 56.803 54.840 0.193 0.000 0.747 238 L CB -1.205 40.960 42.059 0.177 0.000 0.896 238 L HN 0.229 nan 8.230 nan 0.000 0.432 239 A N -0.702 122.286 122.820 0.280 0.000 1.873 239 A HA -0.262 4.059 4.320 0.002 0.000 0.218 239 A C 2.161 179.806 177.584 0.101 0.000 1.193 239 A CA 2.269 54.435 52.037 0.216 0.000 0.629 239 A CB -1.272 17.955 19.000 0.377 0.000 0.826 239 A HN 0.464 nan 8.150 nan 0.000 0.447 240 F N -0.812 119.204 119.950 0.109 0.000 2.234 240 F HA -0.096 4.432 4.527 0.002 0.000 0.299 240 F C 2.034 177.888 175.800 0.089 0.000 1.087 240 F CA 1.265 59.303 58.000 0.063 0.000 1.340 240 F CB -0.406 38.623 39.000 0.048 0.000 1.031 240 F HN 0.276 nan 8.300 nan 0.000 0.500 241 L N -0.337 121.044 121.223 0.263 0.000 2.017 241 L HA -0.194 4.148 4.340 0.002 0.000 0.208 241 L C 2.033 178.993 176.870 0.149 0.000 1.073 241 L CA 1.744 56.701 54.840 0.194 0.000 0.745 241 L CB -0.935 41.228 42.059 0.173 0.000 0.894 241 L HN 0.001 nan 8.230 nan 0.000 0.432 242 L N -0.993 120.311 121.223 0.134 0.000 1.994 242 L HA -0.189 4.152 4.340 0.002 0.000 0.208 242 L C 2.419 179.338 176.870 0.081 0.000 1.071 242 L CA 1.793 56.702 54.840 0.115 0.000 0.745 242 L CB -1.388 40.742 42.059 0.118 0.000 0.892 242 L HN 0.384 nan 8.230 nan 0.000 0.431 243 L N -1.099 120.145 121.223 0.034 0.000 1.989 243 L HA -0.225 4.116 4.340 0.002 0.000 0.211 243 L C 2.404 179.321 176.870 0.079 0.000 1.071 243 L CA 2.224 57.067 54.840 0.006 0.000 0.749 243 L CB -1.179 40.798 42.059 -0.136 0.000 0.890 243 L HN 0.272 nan 8.230 nan 0.000 0.431 244 T N -0.078 114.539 114.554 0.104 0.000 2.684 244 T HA -0.174 4.177 4.350 0.002 0.000 0.267 244 T C 1.719 176.501 174.700 0.136 0.000 1.036 244 T CA 1.590 63.780 62.100 0.150 0.000 1.148 244 T CB -0.503 68.487 68.868 0.202 0.000 0.863 244 T HN 0.545 nan 8.240 nan 0.000 0.436 245 A N 0.174 123.069 122.820 0.124 0.000 2.167 245 A HA 0.371 4.693 4.320 0.002 0.000 0.214 245 A C 2.095 179.746 177.584 0.112 0.000 1.151 245 A CA 1.251 53.355 52.037 0.112 0.000 0.735 245 A CB -0.310 18.749 19.000 0.099 0.000 0.802 245 A HN 0.525 nan 8.150 nan 0.000 0.467 246 G N -2.922 105.948 108.800 0.117 0.000 3.274 246 G HA2 0.195 4.157 3.960 0.002 0.000 0.250 246 G HA3 0.195 4.157 3.960 0.002 0.000 0.250 246 G C 0.947 175.940 174.900 0.156 0.000 1.024 246 G CA 0.566 45.737 45.100 0.119 0.000 0.840 246 G HN 0.655 nan 8.290 nan 0.000 0.522 247 H N 0.377 119.465 119.070 0.031 0.000 2.268 247 H HA 0.099 4.656 4.556 0.002 0.000 0.313 247 H C 2.312 177.642 175.328 0.004 0.000 1.056 247 H CA 1.220 57.273 56.048 0.009 0.000 1.369 247 H CB 0.309 30.069 29.762 -0.004 0.000 1.422 247 H HN 0.320 nan 8.280 nan 0.000 0.520 248 E N 0.191 120.366 120.200 -0.041 0.000 2.077 248 E HA -0.178 4.173 4.350 0.002 0.000 0.193 248 E C 2.208 178.789 176.600 -0.031 0.000 0.989 248 E CA 2.181 58.500 56.400 -0.134 0.000 0.800 248 E CB -0.086 29.546 29.700 -0.114 0.000 0.746 248 E HN 0.627 nan 8.360 nan 0.000 0.452 249 T N -1.731 112.845 114.554 0.037 0.000 2.665 249 T HA -0.203 4.148 4.350 0.002 0.000 0.268 249 T C 2.016 176.755 174.700 0.066 0.000 1.035 249 T CA 2.028 64.165 62.100 0.063 0.000 1.151 249 T CB -1.091 67.844 68.868 0.112 0.000 0.862 249 T HN 0.108 nan 8.240 nan 0.000 0.438 250 T N 2.198 116.803 114.554 0.086 0.000 2.737 250 T HA 0.156 4.507 4.350 0.002 0.000 0.265 250 T C 2.545 177.263 174.700 0.031 0.000 1.038 250 T CA 1.226 63.374 62.100 0.080 0.000 1.144 250 T CB -0.943 67.979 68.868 0.090 0.000 0.866 250 T HN 0.610 nan 8.240 nan 0.000 0.434 251 A N 2.678 125.508 122.820 0.017 0.000 1.892 251 A HA -0.224 4.097 4.320 0.002 0.000 0.218 251 A C 2.229 179.773 177.584 -0.066 0.000 1.188 251 A CA 1.919 53.935 52.037 -0.036 0.000 0.631 251 A CB -0.807 18.137 19.000 -0.094 0.000 0.822 251 A HN 0.407 nan 8.150 nan 0.000 0.447 252 N N -0.787 117.868 118.700 -0.077 0.000 2.223 252 N HA -0.085 4.657 4.740 0.002 0.000 0.185 252 N C 1.560 177.016 175.510 -0.090 0.000 1.016 252 N CA 1.273 54.253 53.050 -0.116 0.000 0.863 252 N CB -0.359 38.055 38.487 -0.122 0.000 0.983 252 N HN 0.328 nan 8.380 nan 0.000 0.429 253 M N 0.310 119.904 119.600 -0.010 0.000 2.229 253 M HA 0.036 4.517 4.480 0.002 0.000 0.264 253 M C 1.909 178.295 176.300 0.144 0.000 1.063 253 M CA 0.758 56.097 55.300 0.065 0.000 1.114 253 M CB -0.589 32.084 32.600 0.120 0.000 1.387 253 M HN 0.118 nan 8.290 nan 0.000 0.420 254 I N -0.724 119.881 120.570 0.058 0.000 2.163 254 I HA -0.298 3.874 4.170 0.002 0.000 0.240 254 I C 2.338 178.533 176.117 0.130 0.000 1.081 254 I CA 1.003 62.332 61.300 0.047 0.000 1.353 254 I CB -0.390 37.563 38.000 -0.078 0.000 1.054 254 I HN 0.211 nan 8.210 nan 0.000 0.407 255 S N 0.951 116.653 115.700 0.003 0.000 2.365 255 S HA -0.197 4.274 4.470 0.002 0.000 0.221 255 S C 1.901 176.469 174.600 -0.054 0.000 1.037 255 S CA 1.378 59.549 58.200 -0.048 0.000 1.060 255 S CB -0.477 62.632 63.200 -0.152 0.000 0.974 255 S HN 0.203 nan 8.310 nan 0.000 0.427 256 L N 1.707 122.817 121.223 -0.189 0.000 2.127 256 L HA -0.042 4.299 4.340 0.002 0.000 0.211 256 L C 2.553 179.331 176.870 -0.153 0.000 1.089 256 L CA 1.718 56.296 54.840 -0.437 0.000 0.757 256 L CB -1.785 39.680 42.059 -0.989 0.000 0.899 256 L HN 0.429 nan 8.230 nan 0.000 0.434 257 G N -1.396 107.485 108.800 0.135 0.000 2.418 257 G HA2 -0.181 3.780 3.960 0.002 0.000 0.217 257 G HA3 -0.181 3.780 3.960 0.002 0.000 0.217 257 G C 1.672 176.677 174.900 0.175 0.000 1.158 257 G CA 1.030 46.266 45.100 0.227 0.000 0.771 257 G HN 0.280 nan 8.290 nan 0.000 0.545 258 V N 0.647 120.767 119.914 0.342 0.000 2.244 258 V HA -0.181 3.940 4.120 0.002 0.000 0.244 258 V C 2.957 179.229 176.094 0.297 0.000 1.042 258 V CA 1.698 64.223 62.300 0.375 0.000 1.006 258 V CB -0.671 31.341 31.823 0.314 0.000 0.641 258 V HN 0.303 nan 8.190 nan 0.000 0.446 259 V N 1.215 121.278 119.914 0.248 0.000 2.380 259 V HA -0.205 3.916 4.120 0.002 0.000 0.251 259 V C 2.278 178.643 176.094 0.452 0.000 1.063 259 V CA 2.767 65.256 62.300 0.315 0.000 1.055 259 V CB -1.115 30.877 31.823 0.282 0.000 0.657 259 V HN 0.515 nan 8.190 nan 0.000 0.455 260 G N -0.143 108.949 108.800 0.486 0.000 2.433 260 G HA2 -0.191 3.770 3.960 0.002 0.000 0.216 260 G HA3 -0.191 3.770 3.960 0.002 0.000 0.216 260 G C 1.565 176.584 174.900 0.198 0.000 1.186 260 G CA 1.199 46.608 45.100 0.516 0.000 0.779 260 G HN 0.547 nan 8.290 nan 0.000 0.543 261 L N -0.422 120.839 121.223 0.064 0.000 2.083 261 L HA -0.031 4.310 4.340 0.002 0.000 0.209 261 L C 2.808 179.694 176.870 0.028 0.000 1.083 261 L CA 0.233 55.023 54.840 -0.083 0.000 0.752 261 L CB -0.404 41.473 42.059 -0.304 0.000 0.899 261 L HN 0.131 nan 8.230 nan 0.000 0.433 262 L N 0.052 121.369 121.223 0.156 0.000 2.046 262 L HA -0.178 4.163 4.340 0.002 0.000 0.208 262 L C 2.693 179.649 176.870 0.143 0.000 1.077 262 L CA 2.034 56.983 54.840 0.182 0.000 0.747 262 L CB -0.841 41.367 42.059 0.247 0.000 0.896 262 L HN 0.338 nan 8.230 nan 0.000 0.432 263 S N -2.340 113.485 115.700 0.209 0.000 2.660 263 S HA -0.022 4.449 4.470 0.002 0.000 0.223 263 S C 0.137 174.638 174.600 -0.165 0.000 0.963 263 S CA 0.102 58.344 58.200 0.070 0.000 0.932 263 S CB -0.691 62.575 63.200 0.110 0.000 0.775 263 S HN 0.527 nan 8.310 nan 0.000 0.531 264 H N -0.022 118.996 119.070 -0.087 0.000 2.600 264 H HA 0.364 4.921 4.556 0.002 0.000 0.224 264 H C -2.416 172.842 175.328 -0.117 0.000 1.413 264 H CA -1.466 54.503 56.048 -0.131 0.000 1.401 264 H CB 0.677 30.327 29.762 -0.186 0.000 1.772 264 H HN 0.116 nan 8.280 nan 0.000 0.528 265 P HA -0.275 nan 4.420 nan 0.000 0.217 265 P C 1.547 178.817 177.300 -0.051 0.000 1.158 265 P CA 1.553 64.630 63.100 -0.038 0.000 0.887 265 P CB 0.524 32.202 31.700 -0.037 0.000 0.792 266 E N -0.539 119.631 120.200 -0.049 0.000 2.086 266 E HA -0.262 4.090 4.350 0.002 0.000 0.205 266 E C 1.977 178.537 176.600 -0.066 0.000 1.027 266 E CA 1.392 57.761 56.400 -0.052 0.000 0.830 266 E CB -0.787 28.884 29.700 -0.048 0.000 0.751 266 E HN 0.416 nan 8.360 nan 0.000 0.456 267 Q N 0.179 119.935 119.800 -0.072 0.000 2.083 267 Q HA -0.068 4.273 4.340 0.002 0.000 0.198 267 Q C 2.396 178.303 176.000 -0.156 0.000 0.969 267 Q CA 0.496 56.229 55.803 -0.117 0.000 0.838 267 Q CB -0.605 28.043 28.738 -0.149 0.000 0.900 267 Q HN 0.219 nan 8.270 nan 0.000 0.436 268 L N 1.010 122.134 121.223 -0.165 0.000 2.131 268 L HA -0.118 4.223 4.340 0.002 0.000 0.210 268 L C 1.925 178.679 176.870 -0.193 0.000 1.092 268 L CA 1.805 56.492 54.840 -0.255 0.000 0.759 268 L CB -0.841 41.069 42.059 -0.249 0.000 0.903 268 L HN 0.114 nan 8.230 nan 0.000 0.435 269 T N -1.151 113.334 114.554 -0.116 0.000 2.737 269 T HA -0.149 4.203 4.350 0.002 0.000 0.265 269 T C 1.975 176.630 174.700 -0.075 0.000 1.038 269 T CA 1.651 63.705 62.100 -0.076 0.000 1.144 269 T CB -0.375 68.462 68.868 -0.052 0.000 0.866 269 T HN 0.208 nan 8.240 nan 0.000 0.434 270 V N 1.447 121.312 119.914 -0.082 0.000 2.282 270 V HA -0.177 3.944 4.120 0.002 0.000 0.249 270 V C 2.678 178.728 176.094 -0.073 0.000 1.057 270 V CA 1.549 63.807 62.300 -0.070 0.000 1.032 270 V CB -0.888 30.889 31.823 -0.076 0.000 0.645 270 V HN 0.318 nan 8.190 nan 0.000 0.447 271 V N -0.376 119.473 119.914 -0.109 0.000 2.358 271 V HA -0.269 3.852 4.120 0.002 0.000 0.246 271 V C 2.402 178.454 176.094 -0.070 0.000 1.047 271 V CA 2.325 64.563 62.300 -0.104 0.000 1.035 271 V CB -0.665 31.049 31.823 -0.182 0.000 0.658 271 V HN 0.516 nan 8.190 nan 0.000 0.452 272 K N 0.001 120.348 120.400 -0.088 0.000 2.097 272 K HA -0.083 4.238 4.320 0.002 0.000 0.205 272 K C 2.158 178.756 176.600 -0.003 0.000 1.050 272 K CA 1.297 57.568 56.287 -0.027 0.000 0.938 272 K CB -0.277 32.206 32.500 -0.028 0.000 0.718 272 K HN 0.445 nan 8.250 nan 0.000 0.442 273 A N 0.892 123.700 122.820 -0.018 0.000 1.840 273 A HA -0.095 4.226 4.320 0.002 0.000 0.214 273 A C 0.914 178.497 177.584 -0.002 0.000 1.198 273 A CA 1.404 53.436 52.037 -0.009 0.000 0.608 273 A CB -0.275 18.715 19.000 -0.017 0.000 0.839 273 A HN 0.389 nan 8.150 nan 0.000 0.443 274 N N -0.416 118.279 118.700 -0.008 0.000 2.626 274 N HA 0.286 5.027 4.740 0.002 0.000 0.249 274 N C -2.173 173.340 175.510 0.005 0.000 1.021 274 N CA -2.268 50.782 53.050 -0.000 0.000 0.886 274 N CB 1.583 40.068 38.487 -0.004 0.000 1.149 274 N HN -0.029 nan 8.380 nan 0.000 0.517 275 P HA -0.076 nan 4.420 nan 0.000 0.224 275 P C 1.075 178.393 177.300 0.031 0.000 1.142 275 P CA 0.791 63.911 63.100 0.032 0.000 0.778 275 P CB 0.130 31.856 31.700 0.044 0.000 0.764 276 G N 0.405 109.218 108.800 0.021 0.000 2.484 276 G HA2 -0.164 3.797 3.960 0.002 0.000 0.218 276 G HA3 -0.164 3.797 3.960 0.002 0.000 0.218 276 G C 1.645 176.555 174.900 0.017 0.000 1.130 276 G CA 0.029 45.142 45.100 0.021 0.000 0.784 276 G HN 0.200 nan 8.290 nan 0.000 0.543 277 R N 0.301 120.804 120.500 0.006 0.000 2.276 277 R HA 0.069 4.411 4.340 0.002 0.000 0.196 277 R C 2.307 178.605 176.300 -0.004 0.000 0.961 277 R CA 0.633 56.730 56.100 -0.006 0.000 1.024 277 R CB -0.942 29.343 30.300 -0.024 0.000 0.940 277 R HN 0.212 nan 8.270 nan 0.000 0.480 278 T N 2.058 116.621 114.554 0.016 0.000 2.652 278 T HA -0.095 4.256 4.350 0.002 0.000 0.267 278 T C -0.961 173.776 174.700 0.061 0.000 1.039 278 T CA 1.469 63.592 62.100 0.038 0.000 1.153 278 T CB -0.900 68.020 68.868 0.086 0.000 0.863 278 T HN 0.158 nan 8.240 nan 0.000 0.428 279 P HA -0.107 nan 4.420 nan 0.000 0.216 279 P C 1.675 179.019 177.300 0.073 0.000 1.157 279 P CA 1.207 64.359 63.100 0.087 0.000 0.880 279 P CB -0.123 31.620 31.700 0.072 0.000 0.791 280 M N -1.439 118.184 119.600 0.039 0.000 2.374 280 M HA -0.062 4.419 4.480 0.002 0.000 0.264 280 M C 1.780 178.075 176.300 -0.008 0.000 1.067 280 M CA 1.551 56.864 55.300 0.021 0.000 1.103 280 M CB -0.262 32.340 32.600 0.003 0.000 1.402 280 M HN -0.146 nan 8.290 nan 0.000 0.444 281 A N -0.732 122.073 122.820 -0.025 0.000 1.929 281 A HA -0.052 4.269 4.320 0.002 0.000 0.216 281 A C 1.953 179.495 177.584 -0.071 0.000 1.176 281 A CA 1.360 53.346 52.037 -0.086 0.000 0.628 281 A CB -0.822 18.106 19.000 -0.120 0.000 0.816 281 A HN 0.358 nan 8.150 nan 0.000 0.444 282 V N 0.367 120.299 119.914 0.029 0.000 2.626 282 V HA -0.171 3.950 4.120 0.002 0.000 0.252 282 V C 2.454 178.597 176.094 0.082 0.000 1.067 282 V CA 1.914 64.285 62.300 0.119 0.000 1.081 282 V CB -0.621 31.348 31.823 0.243 0.000 0.686 282 V HN 0.485 nan 8.190 nan 0.000 0.468 283 E N 0.055 120.295 120.200 0.067 0.000 2.072 283 E HA -0.200 4.152 4.350 0.002 0.000 0.190 283 E C 2.221 178.776 176.600 -0.076 0.000 0.982 283 E CA 1.184 57.626 56.400 0.070 0.000 0.803 283 E CB -0.152 29.630 29.700 0.137 0.000 0.755 283 E HN 0.634 nan 8.360 nan 0.000 0.453 284 E N 1.167 121.306 120.200 -0.102 0.000 2.077 284 E HA -0.098 4.253 4.350 0.002 0.000 0.193 284 E C 2.176 178.657 176.600 -0.198 0.000 0.989 284 E CA 0.777 57.063 56.400 -0.191 0.000 0.800 284 E CB -0.342 29.232 29.700 -0.211 0.000 0.746 284 E HN 0.174 nan 8.360 nan 0.000 0.452 285 L N -0.044 121.097 121.223 -0.136 0.000 2.083 285 L HA -0.149 4.192 4.340 0.002 0.000 0.209 285 L C 2.494 179.412 176.870 0.079 0.000 1.083 285 L CA 0.817 55.642 54.840 -0.025 0.000 0.752 285 L CB -0.398 41.688 42.059 0.045 0.000 0.899 285 L HN 0.223 nan 8.230 nan 0.000 0.433 286 L N -0.637 120.546 121.223 -0.068 0.000 2.056 286 L HA -0.206 4.136 4.340 0.002 0.000 0.207 286 L C 2.861 179.564 176.870 -0.278 0.000 1.078 286 L CA 1.160 55.875 54.840 -0.208 0.000 0.749 286 L CB -0.486 41.282 42.059 -0.486 0.000 0.901 286 L HN 0.271 nan 8.230 nan 0.000 0.433 287 R N -0.521 119.756 120.500 -0.371 0.000 2.062 287 R HA -0.235 4.106 4.340 0.002 0.000 0.231 287 R C 2.497 178.741 176.300 -0.092 0.000 1.136 287 R CA 1.747 57.665 56.100 -0.304 0.000 0.948 287 R CB -0.613 29.410 30.300 -0.460 0.000 0.845 287 R HN 0.212 nan 8.270 nan 0.000 0.430 288 Y N 0.227 120.356 120.300 -0.284 0.000 2.102 288 Y HA -0.302 4.249 4.550 0.002 0.000 0.280 288 Y C 1.689 177.586 175.900 -0.004 0.000 1.178 288 Y CA 2.408 60.362 58.100 -0.242 0.000 1.146 288 Y CB -0.266 37.858 38.460 -0.560 0.000 0.968 288 Y HN 0.085 nan 8.280 nan 0.000 0.504 289 F N -1.217 118.876 119.950 0.238 0.000 2.317 289 F HA 0.040 4.568 4.527 0.002 0.000 0.290 289 F C 1.230 177.077 175.800 0.078 0.000 1.075 289 F CA 0.861 58.952 58.000 0.151 0.000 1.380 289 F CB -0.587 38.549 39.000 0.226 0.000 1.093 289 F HN -0.345 nan 8.300 nan 0.000 0.524 290 T N 2.643 117.332 114.554 0.225 0.000 3.433 290 T HA -0.193 4.159 4.350 0.002 0.000 0.412 290 T C 0.914 175.698 174.700 0.141 0.000 0.768 290 T CA 0.672 62.843 62.100 0.120 0.000 2.077 290 T CB -1.906 67.037 68.868 0.124 0.000 1.700 290 T HN 0.538 nan 8.240 nan 0.000 0.666 291 I N -1.949 118.723 120.570 0.170 0.000 3.241 291 I HA 0.251 4.422 4.170 0.002 0.000 0.280 291 I C 1.770 177.971 176.117 0.140 0.000 1.320 291 I CA 1.046 62.458 61.300 0.187 0.000 1.413 291 I CB -0.264 37.840 38.000 0.172 0.000 1.060 291 I HN 0.464 nan 8.210 nan 0.000 0.500 292 A N 0.497 123.387 122.820 0.116 0.000 2.430 292 A HA 0.056 4.377 4.320 0.002 0.000 0.243 292 A C 1.435 179.095 177.584 0.126 0.000 1.254 292 A CA 0.344 52.452 52.037 0.118 0.000 0.914 292 A CB -0.305 18.765 19.000 0.117 0.000 0.998 292 A HN 0.466 nan 8.150 nan 0.000 0.515 293 D N 1.208 121.685 120.400 0.128 0.000 2.164 293 D HA -0.274 4.367 4.640 0.002 0.000 0.595 293 D C 1.538 177.920 176.300 0.137 0.000 0.823 293 D CA 2.842 56.927 54.000 0.142 0.000 1.672 293 D CB -0.831 40.088 40.800 0.199 0.000 0.508 293 D HN 0.358 nan 8.370 nan 0.000 0.376 294 G N -1.285 107.659 108.800 0.240 0.000 3.434 294 G HA2 0.245 4.206 3.960 0.002 0.000 0.258 294 G HA3 0.245 4.206 3.960 0.002 0.000 0.258 294 G C 1.457 176.544 174.900 0.311 0.000 1.128 294 G CA 0.618 45.913 45.100 0.325 0.000 0.792 294 G HN 0.544 nan 8.290 nan 0.000 0.539 295 V N -1.018 119.018 119.914 0.203 0.000 3.078 295 V HA 0.002 4.123 4.120 0.002 0.000 0.265 295 V C 1.537 177.725 176.094 0.157 0.000 1.122 295 V CA 1.521 63.930 62.300 0.182 0.000 1.141 295 V CB -1.257 30.649 31.823 0.138 0.000 0.735 295 V HN 0.261 nan 8.190 nan 0.000 0.498 296 T N 1.036 115.656 114.554 0.110 0.000 4.098 296 T HA 0.456 4.808 4.350 0.002 0.000 0.291 296 T C 0.331 175.039 174.700 0.013 0.000 1.440 296 T CA 0.372 62.507 62.100 0.058 0.000 1.164 296 T CB -0.831 68.050 68.868 0.021 0.000 1.313 296 T HN 0.750 nan 8.240 nan 0.000 0.951 297 S N 2.164 117.908 115.700 0.073 0.000 2.541 297 S HA 0.784 5.255 4.470 0.002 0.000 0.283 297 S C -0.143 174.426 174.600 -0.052 0.000 1.196 297 S CA -1.165 57.013 58.200 -0.036 0.000 1.062 297 S CB 1.685 64.886 63.200 0.002 0.000 1.009 297 S HN 0.465 nan 8.310 nan 0.000 0.502 298 R N 0.854 121.254 120.500 -0.166 0.000 2.888 298 R HA 0.537 4.879 4.340 0.002 0.000 0.264 298 R C -1.468 174.734 176.300 -0.163 0.000 1.045 298 R CA -0.977 55.086 56.100 -0.062 0.000 0.962 298 R CB 1.438 31.784 30.300 0.077 0.000 1.210 298 R HN 0.664 nan 8.270 nan 0.000 0.479 299 L N 1.611 122.847 121.223 0.022 0.000 2.372 299 L HA 0.496 4.838 4.340 0.002 0.000 0.273 299 L C -0.669 176.293 176.870 0.152 0.000 0.989 299 L CA -0.399 54.466 54.840 0.040 0.000 0.841 299 L CB 1.261 43.381 42.059 0.101 0.000 1.225 299 L HN 0.757 nan 8.230 nan 0.000 0.414 300 A N 3.450 126.386 122.820 0.194 0.000 2.515 300 A HA 0.259 4.580 4.320 0.002 0.000 0.263 300 A C 1.038 178.636 177.584 0.022 0.000 1.096 300 A CA 0.278 52.393 52.037 0.129 0.000 0.769 300 A CB 0.011 19.135 19.000 0.207 0.000 1.040 300 A HN 0.845 nan 8.150 nan 0.000 0.505 301 T N 2.157 116.675 114.554 -0.060 0.000 3.065 301 T HA 0.138 4.489 4.350 0.002 0.000 0.252 301 T C 0.531 175.194 174.700 -0.062 0.000 1.099 301 T CA 1.123 63.200 62.100 -0.039 0.000 1.063 301 T CB -0.152 68.694 68.868 -0.037 0.000 0.948 301 T HN 0.838 nan 8.240 nan 0.000 0.506 302 E N 0.086 120.218 120.200 -0.115 0.000 2.460 302 E HA 0.311 4.662 4.350 0.002 0.000 0.277 302 E C -1.745 174.800 176.600 -0.092 0.000 1.010 302 E CA -0.949 55.393 56.400 -0.097 0.000 0.838 302 E CB 1.118 30.743 29.700 -0.125 0.000 1.448 302 E HN -0.069 nan 8.360 nan 0.000 0.462 303 D N 0.954 121.318 120.400 -0.060 0.000 2.312 303 D HA 0.336 4.977 4.640 0.002 0.000 0.252 303 D C -1.032 175.227 176.300 -0.069 0.000 1.150 303 D CA 0.117 54.095 54.000 -0.036 0.000 0.870 303 D CB 1.299 42.090 40.800 -0.015 0.000 1.153 303 D HN -0.012 nan 8.370 nan 0.000 0.457 304 V N 3.006 122.886 119.914 -0.058 0.000 2.709 304 V HA 0.218 4.340 4.120 0.002 0.000 0.308 304 V C -0.295 175.781 176.094 -0.031 0.000 1.062 304 V CA -0.921 61.349 62.300 -0.051 0.000 0.901 304 V CB 2.317 34.102 31.823 -0.063 0.000 1.003 304 V HN 0.304 nan 8.190 nan 0.000 0.425 305 E N 4.983 125.164 120.200 -0.032 0.000 2.081 305 E HA 0.627 4.979 4.350 0.002 0.000 0.281 305 E C -0.719 175.855 176.600 -0.043 0.000 0.986 305 E CA -0.094 56.274 56.400 -0.053 0.000 0.796 305 E CB 2.523 32.198 29.700 -0.042 0.000 1.085 305 E HN 0.697 nan 8.360 nan 0.000 0.398 306 I N -1.099 119.418 120.570 -0.088 0.000 2.841 306 I HA 0.408 4.579 4.170 0.002 0.000 0.298 306 I C 0.549 176.581 176.117 -0.142 0.000 1.304 306 I CA -0.178 61.072 61.300 -0.084 0.000 1.019 306 I CB 1.881 39.855 38.000 -0.044 0.000 1.282 306 I HN 0.588 nan 8.210 nan 0.000 0.432 307 G N 4.168 112.902 108.800 -0.110 0.000 2.212 307 G HA2 -0.149 3.813 3.960 0.002 0.000 0.267 307 G HA3 -0.149 3.813 3.960 0.002 0.000 0.267 307 G C 1.096 175.936 174.900 -0.100 0.000 1.002 307 G CA 0.627 45.662 45.100 -0.109 0.000 0.729 307 G HN 2.256 nan 8.290 nan 0.000 0.517 308 G N -3.051 105.694 108.800 -0.092 0.000 2.147 308 G HA2 0.048 4.009 3.960 0.002 0.000 0.244 308 G HA3 0.048 4.009 3.960 0.002 0.000 0.244 308 G C 0.201 175.040 174.900 -0.102 0.000 1.005 308 G CA 0.620 45.674 45.100 -0.075 0.000 0.713 308 G HN 1.676 nan 8.290 nan 0.000 0.515 309 V N 0.124 119.932 119.914 -0.177 0.000 2.735 309 V HA 0.675 4.796 4.120 0.002 0.000 0.310 309 V C 0.338 176.257 176.094 -0.292 0.000 1.061 309 V CA -0.467 61.666 62.300 -0.279 0.000 0.913 309 V CB 2.169 33.669 31.823 -0.539 0.000 1.005 309 V HN 0.285 nan 8.190 nan 0.000 0.428 310 S N 5.103 120.674 115.700 -0.214 0.000 2.464 310 S HA 0.526 4.997 4.470 0.002 0.000 0.313 310 S C -0.141 174.377 174.600 -0.135 0.000 1.078 310 S CA -0.257 57.866 58.200 -0.128 0.000 1.096 310 S CB -0.176 63.008 63.200 -0.026 0.000 1.032 310 S HN 0.492 nan 8.310 nan 0.000 0.498 311 I N 3.974 124.421 120.570 -0.205 0.000 2.352 311 I HA 0.229 4.401 4.170 0.002 0.000 0.290 311 I C 0.366 176.534 176.117 0.086 0.000 1.036 311 I CA -0.611 60.633 61.300 -0.094 0.000 1.336 311 I CB 0.561 38.463 38.000 -0.163 0.000 1.407 311 I HN 0.192 nan 8.210 nan 0.000 0.497 312 K N 4.896 125.414 120.400 0.197 0.000 2.118 312 K HA 0.544 4.865 4.320 0.002 0.000 0.267 312 K C -0.103 176.567 176.600 0.116 0.000 0.991 312 K CA -0.591 55.771 56.287 0.126 0.000 0.916 312 K CB 1.594 34.170 32.500 0.126 0.000 1.041 312 K HN 0.673 nan 8.250 nan 0.000 0.455 313 A N 0.416 123.271 122.820 0.059 0.000 2.561 313 A HA 0.363 4.684 4.320 0.002 0.000 0.234 313 A C 1.262 178.884 177.584 0.062 0.000 1.055 313 A CA 1.186 53.249 52.037 0.042 0.000 0.756 313 A CB -0.661 18.348 19.000 0.015 0.000 0.986 313 A HN 0.942 nan 8.150 nan 0.000 0.505 314 G N 1.025 109.863 108.800 0.063 0.000 2.199 314 G HA2 -0.202 3.759 3.960 0.002 0.000 0.254 314 G HA3 -0.202 3.759 3.960 0.002 0.000 0.254 314 G C 0.033 174.975 174.900 0.069 0.000 0.982 314 G CA 0.530 45.668 45.100 0.063 0.000 0.632 314 G HN 0.905 nan 8.290 nan 0.000 0.529 315 E N 0.449 120.713 120.200 0.107 0.000 2.277 315 E HA 0.511 4.862 4.350 0.002 0.000 0.274 315 E C 0.793 177.459 176.600 0.110 0.000 1.022 315 E CA -0.183 56.286 56.400 0.115 0.000 0.853 315 E CB 1.205 31.045 29.700 0.232 0.000 1.086 315 E HN 0.344 nan 8.360 nan 0.000 0.397 316 G N 0.794 109.607 108.800 0.022 0.000 2.415 316 G HA2 0.426 4.387 3.960 0.002 0.000 0.269 316 G HA3 0.426 4.387 3.960 0.002 0.000 0.269 316 G C -0.672 174.243 174.900 0.024 0.000 1.209 316 G CA -0.333 44.737 45.100 -0.050 0.000 0.835 316 G HN 0.260 nan 8.290 nan 0.000 0.534 317 V N 2.500 122.398 119.914 -0.026 0.000 2.638 317 V HA 0.419 4.541 4.120 0.002 0.000 0.306 317 V C -0.805 175.187 176.094 -0.171 0.000 1.052 317 V CA -0.637 61.649 62.300 -0.023 0.000 0.885 317 V CB 1.685 33.471 31.823 -0.062 0.000 0.999 317 V HN 0.605 nan 8.190 nan 0.000 0.424 318 I N 4.684 125.124 120.570 -0.218 0.000 2.389 318 I HA 0.450 4.621 4.170 0.002 0.000 0.288 318 I C -0.119 175.711 176.117 -0.479 0.000 0.999 318 I CA -0.408 60.680 61.300 -0.354 0.000 1.129 318 I CB 1.945 39.627 38.000 -0.531 0.000 1.288 318 I HN 0.300 nan 8.210 nan 0.000 0.444 319 V N 4.670 124.338 119.914 -0.408 0.000 2.406 319 V HA 0.307 4.428 4.120 0.002 0.000 0.272 319 V C 0.516 176.301 176.094 -0.514 0.000 1.043 319 V CA -0.475 61.559 62.300 -0.443 0.000 0.915 319 V CB 1.384 33.046 31.823 -0.269 0.000 0.988 319 V HN 0.784 nan 8.190 nan 0.000 0.466 320 S N 5.810 121.057 115.700 -0.754 0.000 2.473 320 S HA 0.328 4.800 4.470 0.002 0.000 0.312 320 S C 1.168 175.603 174.600 -0.275 0.000 1.087 320 S CA -0.588 57.211 58.200 -0.670 0.000 1.077 320 S CB 0.208 62.712 63.200 -1.160 0.000 1.065 320 S HN 0.674 nan 8.310 nan 0.000 0.510 321 M N 3.789 123.323 119.600 -0.110 0.000 2.159 321 M HA -0.085 4.396 4.480 0.002 0.000 0.263 321 M C 1.898 178.256 176.300 0.095 0.000 1.063 321 M CA 1.293 56.598 55.300 0.008 0.000 1.110 321 M CB -0.406 32.229 32.600 0.059 0.000 1.374 321 M HN 0.661 nan 8.290 nan 0.000 0.411 322 L N -0.334 120.955 121.223 0.111 0.000 2.083 322 L HA -0.132 4.209 4.340 0.002 0.000 0.209 322 L C 2.527 179.529 176.870 0.220 0.000 1.083 322 L CA 1.868 56.805 54.840 0.162 0.000 0.752 322 L CB -0.802 41.331 42.059 0.123 0.000 0.899 322 L HN 0.176 nan 8.230 nan 0.000 0.433 323 S N -0.999 114.798 115.700 0.162 0.000 2.368 323 S HA -0.093 4.379 4.470 0.002 0.000 0.224 323 S C 2.096 176.814 174.600 0.196 0.000 1.029 323 S CA 1.052 59.353 58.200 0.167 0.000 0.988 323 S CB -0.364 62.813 63.200 -0.038 0.000 0.838 323 S HN 0.663 nan 8.310 nan 0.000 0.462 324 A N 1.703 124.602 122.820 0.131 0.000 1.929 324 A HA 0.018 4.340 4.320 0.002 0.000 0.216 324 A C 1.802 179.642 177.584 0.428 0.000 1.176 324 A CA 1.304 53.453 52.037 0.186 0.000 0.628 324 A CB -0.566 18.441 19.000 0.012 0.000 0.816 324 A HN 0.561 nan 8.150 nan 0.000 0.444 325 N N -1.983 116.993 118.700 0.461 0.000 2.521 325 N HA -0.049 4.692 4.740 0.002 0.000 0.188 325 N C 0.107 175.912 175.510 0.492 0.000 1.146 325 N CA 0.536 53.928 53.050 0.571 0.000 0.893 325 N CB -0.143 38.546 38.487 0.337 0.000 0.975 325 N HN 0.723 nan 8.380 nan 0.000 0.451 326 W N 0.277 121.731 121.300 0.257 0.000 2.702 326 W HA 0.211 4.872 4.660 0.002 0.000 0.369 326 W C -0.009 176.627 176.519 0.194 0.000 0.987 326 W CA -0.888 56.568 57.345 0.185 0.000 1.702 326 W CB 0.141 29.651 29.460 0.083 0.000 1.138 326 W HN -0.179 nan 8.180 nan 0.000 0.552 327 D N 2.551 123.169 120.400 0.364 0.000 2.363 327 D HA 0.001 4.643 4.640 0.002 0.000 0.263 327 D C -0.784 175.572 176.300 0.093 0.000 1.258 327 D CA -1.557 52.554 54.000 0.185 0.000 0.907 327 D CB 1.379 42.247 40.800 0.114 0.000 1.107 327 D HN -0.004 nan 8.370 nan 0.000 0.495 328 P HA -0.160 nan 4.420 nan 0.000 0.223 328 P C 0.905 178.187 177.300 -0.030 0.000 1.144 328 P CA 0.703 63.828 63.100 0.043 0.000 0.783 328 P CB 0.138 31.872 31.700 0.057 0.000 0.771 329 A N -0.021 122.763 122.820 -0.060 0.000 2.172 329 A HA -0.010 4.311 4.320 0.002 0.000 0.216 329 A C 2.070 179.527 177.584 -0.211 0.000 1.154 329 A CA 1.793 53.766 52.037 -0.106 0.000 0.701 329 A CB -0.962 17.986 19.000 -0.087 0.000 0.789 329 A HN 0.288 nan 8.150 nan 0.000 0.465 330 V N -6.528 113.180 119.914 -0.343 0.000 3.368 330 V HA 0.466 4.587 4.120 0.002 0.000 0.255 330 V C -0.195 175.553 176.094 -0.576 0.000 1.466 330 V CA -0.237 61.709 62.300 -0.590 0.000 1.095 330 V CB -0.099 31.074 31.823 -1.084 0.000 0.899 330 V HN 0.114 nan 8.190 nan 0.000 0.440 331 F N 2.897 122.776 119.950 -0.118 0.000 2.359 331 F HA 0.577 5.106 4.527 0.002 0.000 0.369 331 F C 0.359 176.094 175.800 -0.107 0.000 1.084 331 F CA -1.536 56.393 58.000 -0.118 0.000 1.096 331 F CB 1.149 40.060 39.000 -0.149 0.000 1.335 331 F HN 0.013 nan 8.300 nan 0.000 0.457 332 K N 3.838 124.282 120.400 0.073 0.000 2.491 332 K HA -0.051 4.270 4.320 0.002 0.000 0.279 332 K C -0.199 176.402 176.600 0.002 0.000 1.026 332 K CA 0.417 56.715 56.287 0.020 0.000 1.070 332 K CB 0.190 32.693 32.500 0.006 0.000 0.887 332 K HN 0.649 nan 8.250 nan 0.000 0.481 333 D N 4.255 124.651 120.400 -0.007 0.000 2.904 333 D HA -0.133 4.508 4.640 0.002 0.000 0.231 333 D C -1.688 174.553 176.300 -0.099 0.000 1.185 333 D CA 0.439 54.421 54.000 -0.029 0.000 0.783 333 D CB -0.405 40.377 40.800 -0.030 0.000 0.961 333 D HN 0.575 nan 8.370 nan 0.000 0.409 334 P HA -0.130 nan 4.420 nan 0.000 0.225 334 P C 1.179 177.990 177.300 -0.815 0.000 1.148 334 P CA 1.285 64.148 63.100 -0.395 0.000 0.779 334 P CB 0.271 31.832 31.700 -0.232 0.000 0.780 335 A N -0.032 122.556 122.820 -0.387 0.000 2.167 335 A HA 0.088 4.409 4.320 0.002 0.000 0.214 335 A C 1.173 178.759 177.584 0.003 0.000 1.151 335 A CA 0.273 52.196 52.037 -0.189 0.000 0.735 335 A CB -0.668 18.457 19.000 0.207 0.000 0.802 335 A HN 0.211 nan 8.150 nan 0.000 0.467 336 V N 1.164 121.027 119.914 -0.085 0.000 2.439 336 V HA 0.431 4.552 4.120 0.002 0.000 0.282 336 V C -0.361 175.630 176.094 -0.170 0.000 1.039 336 V CA -0.978 61.297 62.300 -0.043 0.000 0.913 336 V CB 1.327 33.119 31.823 -0.052 0.000 0.983 336 V HN 0.285 nan 8.190 nan 0.000 0.460 337 L N 6.558 127.587 121.223 -0.323 0.000 2.433 337 L HA 0.461 4.802 4.340 0.002 0.000 0.284 337 L C -0.348 176.299 176.870 -0.372 0.000 1.120 337 L CA 0.572 55.022 54.840 -0.651 0.000 0.879 337 L CB 0.133 41.422 42.059 -1.283 0.000 1.232 337 L HN 0.855 nan 8.230 nan 0.000 0.454 338 D N 3.902 124.127 120.400 -0.291 0.000 2.432 338 D HA 0.097 4.738 4.640 0.002 0.000 0.265 338 D C 1.100 177.290 176.300 -0.184 0.000 1.160 338 D CA -0.366 53.516 54.000 -0.197 0.000 0.911 338 D CB 0.968 41.681 40.800 -0.144 0.000 1.052 338 D HN 0.314 nan 8.370 nan 0.000 0.508 339 V N 2.806 122.606 119.914 -0.189 0.000 2.660 339 V HA -0.203 3.918 4.120 0.002 0.000 0.257 339 V C 2.066 178.097 176.094 -0.106 0.000 1.088 339 V CA 1.534 63.740 62.300 -0.157 0.000 1.106 339 V CB -0.310 31.417 31.823 -0.160 0.000 0.686 339 V HN 0.427 nan 8.190 nan 0.000 0.481 340 E N 0.429 120.572 120.200 -0.094 0.000 2.158 340 E HA -0.074 4.278 4.350 0.002 0.000 0.191 340 E C 1.317 177.886 176.600 -0.052 0.000 0.982 340 E CA 0.045 56.406 56.400 -0.064 0.000 0.823 340 E CB -0.105 29.561 29.700 -0.058 0.000 0.766 340 E HN 0.708 nan 8.360 nan 0.000 0.468 341 R N -0.276 120.187 120.500 -0.062 0.000 2.566 341 R HA 0.014 4.355 4.340 0.002 0.000 0.273 341 R C 1.033 177.321 176.300 -0.021 0.000 0.981 341 R CA 0.823 56.898 56.100 -0.041 0.000 1.091 341 R CB 0.347 30.614 30.300 -0.055 0.000 0.924 341 R HN 0.104 nan 8.270 nan 0.000 0.411 342 G N 2.458 111.259 108.800 0.001 0.000 2.494 342 G HA2 0.019 3.980 3.960 0.002 0.000 0.216 342 G HA3 0.019 3.980 3.960 0.002 0.000 0.216 342 G C 0.569 175.490 174.900 0.036 0.000 1.140 342 G CA 0.125 45.232 45.100 0.013 0.000 0.801 342 G HN 1.036 nan 8.290 nan 0.000 0.536 343 A N 0.219 123.082 122.820 0.073 0.000 2.587 343 A HA 0.144 4.465 4.320 0.002 0.000 0.243 343 A C 0.719 178.390 177.584 0.144 0.000 0.998 343 A CA 0.821 52.953 52.037 0.159 0.000 0.872 343 A CB 0.033 19.231 19.000 0.329 0.000 0.859 343 A HN 0.491 nan 8.150 nan 0.000 0.458 344 R N -0.226 120.349 120.500 0.125 0.000 3.018 344 R HA 0.559 4.900 4.340 0.002 0.000 0.243 344 R C -0.191 176.142 176.300 0.056 0.000 1.315 344 R CA -0.820 55.249 56.100 -0.051 0.000 1.039 344 R CB 0.656 30.732 30.300 -0.373 0.000 1.315 344 R HN 0.947 nan 8.270 nan 0.000 0.492 345 H N -0.162 118.961 119.070 0.087 0.000 2.839 345 H HA -0.143 4.415 4.556 0.002 0.000 0.298 345 H C -0.337 175.146 175.328 0.259 0.000 1.224 345 H CA 0.868 56.975 56.048 0.097 0.000 1.144 345 H CB -2.358 27.454 29.762 0.082 0.000 1.372 345 H HN 0.666 nan 8.280 nan 0.000 0.408 346 H N -1.037 118.276 119.070 0.405 0.000 2.671 346 H HA 0.403 4.961 4.556 0.002 0.000 0.372 346 H C 1.194 176.697 175.328 0.293 0.000 1.227 346 H CA -0.625 55.673 56.048 0.417 0.000 1.426 346 H CB 0.631 30.491 29.762 0.164 0.000 1.480 346 H HN 0.216 nan 8.280 nan 0.000 0.611 347 L N 1.306 122.815 121.223 0.476 0.000 2.818 347 L HA 0.328 4.669 4.340 0.002 0.000 0.243 347 L C 1.888 178.944 176.870 0.311 0.000 1.185 347 L CA 0.267 55.296 54.840 0.314 0.000 0.988 347 L CB -0.115 42.008 42.059 0.108 0.000 1.292 347 L HN 0.892 nan 8.230 nan 0.000 0.519 348 A N 0.129 123.156 122.820 0.345 0.000 2.076 348 A HA -0.118 4.203 4.320 0.002 0.000 0.220 348 A C 1.733 179.337 177.584 0.033 0.000 1.160 348 A CA 1.499 53.554 52.037 0.031 0.000 0.653 348 A CB -0.475 18.330 19.000 -0.325 0.000 0.801 348 A HN 0.475 nan 8.150 nan 0.000 0.455 349 F N -0.928 119.205 119.950 0.305 0.000 2.664 349 F HA 0.393 4.921 4.527 0.002 0.000 0.303 349 F C 1.506 177.415 175.800 0.181 0.000 1.092 349 F CA 0.251 58.380 58.000 0.216 0.000 1.305 349 F CB 0.366 39.497 39.000 0.218 0.000 1.054 349 F HN 0.478 nan 8.300 nan 0.000 0.565 350 G N 1.295 110.306 108.800 0.351 0.000 2.725 350 G HA2 -0.209 3.752 3.960 0.002 0.000 0.220 350 G HA3 -0.209 3.752 3.960 0.002 0.000 0.220 350 G C -1.348 173.767 174.900 0.358 0.000 1.357 350 G CA -0.590 44.680 45.100 0.283 0.000 0.866 350 G HN 0.124 nan 8.290 nan 0.000 0.548 351 F N 0.058 120.070 119.950 0.103 0.000 2.665 351 F HA 0.687 5.215 4.527 0.003 0.000 0.308 351 F C 0.636 176.483 175.800 0.077 0.000 1.112 351 F CA 1.560 59.607 58.000 0.078 0.000 0.972 351 F CB 1.489 40.508 39.000 0.032 0.000 1.295 351 F HN 2.571 nan 8.300 nan 0.000 0.440 352 G N 4.628 113.029 108.800 -0.665 0.000 2.627 352 G HA2 -0.158 3.803 3.960 0.002 0.000 0.214 352 G HA3 -0.158 3.803 3.960 0.002 0.000 0.214 352 G C -2.415 172.379 174.900 -0.178 0.000 1.331 352 G CA -0.394 44.465 45.100 -0.402 0.000 0.891 352 G HN 0.573 nan 8.290 nan 0.000 0.539 353 P HA -0.091 nan 4.420 nan 0.000 0.217 353 P C 1.208 178.507 177.300 -0.001 0.000 1.151 353 P CA 1.788 64.846 63.100 -0.071 0.000 0.849 353 P CB -0.113 31.537 31.700 -0.083 0.000 0.787 354 H N -1.834 117.304 119.070 0.114 0.000 2.539 354 H HA 0.116 4.673 4.556 0.002 0.000 0.269 354 H C 0.865 176.237 175.328 0.074 0.000 0.980 354 H CA -0.054 56.051 56.048 0.095 0.000 1.152 354 H CB -0.275 29.480 29.762 -0.011 0.000 1.407 354 H HN 0.321 nan 8.280 nan 0.000 0.564 355 Q N 1.004 120.880 119.800 0.127 0.000 2.342 355 Q HA -0.093 4.248 4.340 0.002 0.000 0.330 355 Q C 0.067 176.109 176.000 0.070 0.000 1.117 355 Q CA 0.029 55.895 55.803 0.105 0.000 1.010 355 Q CB 0.542 29.303 28.738 0.039 0.000 1.204 355 Q HN 0.379 nan 8.270 nan 0.000 0.400 356 C N 5.570 124.919 119.300 0.081 0.000 2.271 356 C HA -0.107 4.354 4.460 0.002 0.000 0.397 356 C C 1.751 176.626 174.990 -0.193 0.000 1.533 356 C CA -0.099 58.906 59.018 -0.022 0.000 1.433 356 C CB -1.319 26.416 27.740 -0.008 0.000 2.511 356 C HN 0.991 nan 8.230 nan 0.000 0.610 357 L N 5.881 126.971 121.223 -0.222 0.000 2.156 357 L HA 0.216 4.557 4.340 0.002 0.000 0.208 357 L C 2.103 178.450 176.870 -0.871 0.000 1.095 357 L CA 2.386 56.976 54.840 -0.417 0.000 0.770 357 L CB -0.384 41.477 42.059 -0.329 0.000 0.914 357 L HN 0.866 nan 8.230 nan 0.000 0.439 358 G N -1.468 106.883 108.800 -0.748 0.000 3.605 358 G HA2 0.068 4.029 3.960 0.002 0.000 0.277 358 G HA3 0.068 4.029 3.960 0.002 0.000 0.277 358 G C 1.047 175.699 174.900 -0.413 0.000 1.093 358 G CA 0.313 44.958 45.100 -0.758 0.000 0.821 358 G HN 0.591 nan 8.290 nan 0.000 0.532 359 Q N 0.135 119.595 119.800 -0.568 0.000 2.197 359 Q HA -0.151 4.191 4.340 0.002 0.000 0.207 359 Q C 1.626 177.302 176.000 -0.541 0.000 0.984 359 Q CA 1.428 56.623 55.803 -1.013 0.000 0.869 359 Q CB -0.238 27.602 28.738 -1.496 0.000 0.906 359 Q HN 0.233 nan 8.270 nan 0.000 0.426 360 N N 0.358 118.892 118.700 -0.277 0.000 2.376 360 N HA -0.038 4.703 4.740 0.002 0.000 0.177 360 N C 1.613 177.135 175.510 0.020 0.000 1.024 360 N CA 0.631 53.635 53.050 -0.076 0.000 0.893 360 N CB -0.015 38.460 38.487 -0.021 0.000 0.980 360 N HN 0.255 nan 8.380 nan 0.000 0.439 361 L N 1.167 122.419 121.223 0.048 0.000 2.156 361 L HA 0.125 4.466 4.340 0.002 0.000 0.208 361 L C 1.991 178.907 176.870 0.077 0.000 1.095 361 L CA 1.169 56.074 54.840 0.109 0.000 0.770 361 L CB -0.856 41.331 42.059 0.212 0.000 0.914 361 L HN 0.045 nan 8.230 nan 0.000 0.439 362 A N -0.050 122.808 122.820 0.065 0.000 1.855 362 A HA -0.197 4.124 4.320 0.002 0.000 0.215 362 A C 2.417 180.103 177.584 0.171 0.000 1.191 362 A CA 1.687 53.808 52.037 0.139 0.000 0.613 362 A CB -0.562 18.587 19.000 0.249 0.000 0.829 362 A HN 0.472 nan 8.150 nan 0.000 0.442 363 R N -1.333 119.281 120.500 0.190 0.000 2.103 363 R HA -0.179 4.163 4.340 0.002 0.000 0.242 363 R C 2.336 178.718 176.300 0.137 0.000 1.142 363 R CA 1.854 58.078 56.100 0.206 0.000 0.960 363 R CB -0.431 29.983 30.300 0.190 0.000 0.858 363 R HN 0.696 nan 8.270 nan 0.000 0.439 364 M N 0.799 120.456 119.600 0.096 0.000 2.099 364 M HA -0.181 4.300 4.480 0.002 0.000 0.262 364 M C 1.770 178.098 176.300 0.048 0.000 1.067 364 M CA 1.738 57.080 55.300 0.070 0.000 1.124 364 M CB 0.043 32.677 32.600 0.056 0.000 1.353 364 M HN 0.095 nan 8.290 nan 0.000 0.410 365 E N 0.295 120.517 120.200 0.036 0.000 2.038 365 E HA -0.232 4.119 4.350 0.002 0.000 0.195 365 E C 1.989 178.544 176.600 -0.075 0.000 1.000 365 E CA 1.873 58.268 56.400 -0.009 0.000 0.803 365 E CB -0.326 29.372 29.700 -0.004 0.000 0.750 365 E HN 0.538 nan 8.360 nan 0.000 0.448 366 L N 0.970 122.154 121.223 -0.065 0.000 1.989 366 L HA -0.275 4.066 4.340 0.002 0.000 0.211 366 L C 2.931 179.710 176.870 -0.152 0.000 1.071 366 L CA 1.398 56.098 54.840 -0.234 0.000 0.749 366 L CB -0.760 41.356 42.059 0.094 0.000 0.890 366 L HN 0.265 nan 8.230 nan 0.000 0.431 367 Q N 0.870 120.731 119.800 0.101 0.000 2.077 367 Q HA -0.249 4.093 4.340 0.002 0.000 0.206 367 Q C 2.231 178.294 176.000 0.105 0.000 0.989 367 Q CA 2.077 57.983 55.803 0.172 0.000 0.853 367 Q CB -0.198 28.623 28.738 0.138 0.000 0.907 367 Q HN 0.583 nan 8.270 nan 0.000 0.418 368 I N 0.146 120.738 120.570 0.036 0.000 2.252 368 I HA -0.245 3.926 4.170 0.002 0.000 0.245 368 I C 2.463 178.579 176.117 -0.001 0.000 1.102 368 I CA 0.726 62.041 61.300 0.026 0.000 1.385 368 I CB -0.248 37.760 38.000 0.015 0.000 1.064 368 I HN 0.044 nan 8.210 nan 0.000 0.414 369 V N 0.813 120.662 119.914 -0.109 0.000 2.295 369 V HA -0.275 3.846 4.120 0.002 0.000 0.246 369 V C 2.293 178.345 176.094 -0.070 0.000 1.049 369 V CA 1.981 64.178 62.300 -0.171 0.000 1.024 369 V CB -0.638 30.966 31.823 -0.366 0.000 0.648 369 V HN 0.198 nan 8.190 nan 0.000 0.447 370 F N 0.484 120.522 119.950 0.148 0.000 2.102 370 F HA -0.126 4.402 4.527 0.002 0.000 0.298 370 F C 2.370 178.338 175.800 0.279 0.000 1.105 370 F CA 1.313 59.466 58.000 0.255 0.000 1.239 370 F CB -0.976 38.135 39.000 0.184 0.000 0.991 370 F HN 0.209 nan 8.300 nan 0.000 0.474 371 D N -0.306 120.293 120.400 0.331 0.000 2.078 371 D HA -0.132 4.509 4.640 0.002 0.000 0.193 371 D C 2.278 178.685 176.300 0.178 0.000 0.990 371 D CA 2.111 56.248 54.000 0.227 0.000 0.827 371 D CB -0.778 40.109 40.800 0.146 0.000 0.975 371 D HN 0.190 nan 8.370 nan 0.000 0.451 372 T N 2.450 117.072 114.554 0.113 0.000 2.684 372 T HA -0.141 4.211 4.350 0.002 0.000 0.267 372 T C 1.887 176.600 174.700 0.022 0.000 1.036 372 T CA 0.433 62.566 62.100 0.055 0.000 1.148 372 T CB -0.353 68.532 68.868 0.029 0.000 0.863 372 T HN 0.077 nan 8.240 nan 0.000 0.436 373 L N 0.211 121.443 121.223 0.015 0.000 2.012 373 L HA -0.068 4.273 4.340 0.002 0.000 0.210 373 L C 1.910 178.625 176.870 -0.258 0.000 1.073 373 L CA 2.082 56.837 54.840 -0.142 0.000 0.748 373 L CB -0.870 41.087 42.059 -0.171 0.000 0.891 373 L HN 0.276 nan 8.230 nan 0.000 0.431 374 F N -0.212 119.756 119.950 0.031 0.000 2.710 374 F HA 0.012 4.540 4.527 0.002 0.000 0.298 374 F C 2.673 178.470 175.800 -0.005 0.000 1.137 374 F CA 0.665 58.675 58.000 0.016 0.000 1.444 374 F CB -0.218 38.809 39.000 0.046 0.000 1.111 374 F HN 0.126 nan 8.300 nan 0.000 0.580 375 R N 0.073 120.646 120.500 0.121 0.000 2.112 375 R HA 0.047 4.388 4.340 0.002 0.000 0.216 375 R C 2.199 178.499 176.300 0.001 0.000 1.080 375 R CA 0.681 56.821 56.100 0.066 0.000 0.996 375 R CB 0.052 30.391 30.300 0.064 0.000 0.902 375 R HN -0.044 nan 8.270 nan 0.000 0.449 376 R N 0.226 120.697 120.500 -0.049 0.000 2.127 376 R HA 0.158 4.500 4.340 0.002 0.000 0.217 376 R C 0.511 176.697 176.300 -0.191 0.000 1.074 376 R CA 0.818 56.856 56.100 -0.103 0.000 0.991 376 R CB 0.380 30.607 30.300 -0.121 0.000 0.895 376 R HN 0.279 nan 8.270 nan 0.000 0.450 377 I N 2.204 122.623 120.570 -0.251 0.000 2.956 377 I HA 0.141 4.313 4.170 0.002 0.000 0.311 377 I C -1.731 174.260 176.117 -0.210 0.000 1.436 377 I CA -1.259 59.820 61.300 -0.368 0.000 0.872 377 I CB 1.783 39.383 38.000 -0.667 0.000 2.099 377 I HN -0.170 nan 8.210 nan 0.000 0.624 378 P HA -0.188 nan 4.420 nan 0.000 0.218 378 P C 1.277 178.631 177.300 0.091 0.000 1.148 378 P CA 1.373 64.512 63.100 0.064 0.000 0.822 378 P CB 0.174 31.907 31.700 0.055 0.000 0.784 379 S N -1.145 114.588 115.700 0.055 0.000 2.710 379 S HA 0.090 4.561 4.470 0.002 0.000 0.224 379 S C 0.660 175.355 174.600 0.157 0.000 0.948 379 S CA -0.696 57.566 58.200 0.104 0.000 0.949 379 S CB -1.419 61.847 63.200 0.110 0.000 0.778 379 S HN -0.029 nan 8.310 nan 0.000 0.498 380 L N 3.543 124.830 121.223 0.107 0.000 2.540 380 L HA 0.301 4.642 4.340 0.002 0.000 0.276 380 L C 0.167 177.142 176.870 0.175 0.000 1.212 380 L CA 0.561 55.477 54.840 0.126 0.000 0.893 380 L CB 0.198 42.188 42.059 -0.115 0.000 1.138 380 L HN 0.601 nan 8.230 nan 0.000 0.491 381 R N 3.362 123.976 120.500 0.190 0.000 2.817 381 R HA 0.648 4.989 4.340 0.002 0.000 0.268 381 R C -1.549 174.836 176.300 0.142 0.000 1.027 381 R CA -1.222 54.973 56.100 0.158 0.000 0.928 381 R CB 0.543 30.920 30.300 0.129 0.000 1.228 381 R HN 0.388 nan 8.270 nan 0.000 0.469 382 L N 1.774 123.071 121.223 0.124 0.000 2.360 382 L HA 0.286 4.628 4.340 0.002 0.000 0.276 382 L C 1.188 178.105 176.870 0.079 0.000 1.121 382 L CA 0.496 55.398 54.840 0.104 0.000 0.845 382 L CB 1.222 43.347 42.059 0.112 0.000 1.143 382 L HN 1.024 nan 8.230 nan 0.000 0.452 383 A N 4.133 126.990 122.820 0.062 0.000 2.119 383 A HA 0.214 4.535 4.320 0.002 0.000 0.217 383 A C 0.566 178.170 177.584 0.034 0.000 1.153 383 A CA 1.182 53.241 52.037 0.037 0.000 0.692 383 A CB -0.329 18.682 19.000 0.019 0.000 0.799 383 A HN 0.605 nan 8.150 nan 0.000 0.458 384 V N -4.985 114.956 119.914 0.044 0.000 3.181 384 V HA 0.653 4.774 4.120 0.002 0.000 0.308 384 V C -3.098 173.035 176.094 0.064 0.000 1.214 384 V CA -2.560 59.767 62.300 0.045 0.000 1.053 384 V CB 1.666 33.511 31.823 0.036 0.000 1.069 384 V HN 0.072 nan 8.190 nan 0.000 0.441 385 P HA 0.153 nan 4.420 nan 0.000 0.270 385 P C 0.570 177.941 177.300 0.118 0.000 1.223 385 P CA -0.186 62.965 63.100 0.085 0.000 0.785 385 P CB 0.802 32.545 31.700 0.072 0.000 0.923 386 M N 2.185 121.878 119.600 0.154 0.000 2.073 386 M HA -0.224 4.257 4.480 0.002 0.000 0.258 386 M C 1.512 177.962 176.300 0.250 0.000 1.070 386 M CA 2.125 57.566 55.300 0.235 0.000 1.103 386 M CB -1.422 31.351 32.600 0.289 0.000 1.321 386 M HN 0.296 nan 8.290 nan 0.000 0.405 387 E N 0.374 120.691 120.200 0.195 0.000 2.339 387 E HA -0.195 4.156 4.350 0.002 0.000 0.201 387 E C 1.376 178.071 176.600 0.159 0.000 1.015 387 E CA 1.564 58.068 56.400 0.173 0.000 0.841 387 E CB -0.573 29.198 29.700 0.118 0.000 0.754 387 E HN 0.638 nan 8.360 nan 0.000 0.508 388 D N -0.883 119.597 120.400 0.133 0.000 2.333 388 D HA -0.011 4.630 4.640 0.002 0.000 0.208 388 D C 0.090 176.436 176.300 0.077 0.000 0.984 388 D CA 0.118 54.174 54.000 0.094 0.000 0.873 388 D CB 0.364 41.203 40.800 0.065 0.000 0.935 388 D HN 0.048 nan 8.370 nan 0.000 0.521 389 V N 2.874 122.838 119.914 0.083 0.000 2.470 389 V HA 0.215 4.337 4.120 0.002 0.000 0.276 389 V C -2.380 173.665 176.094 -0.082 0.000 1.040 389 V CA -1.656 60.605 62.300 -0.065 0.000 1.008 389 V CB 0.977 32.674 31.823 -0.209 0.000 0.990 389 V HN -0.043 nan 8.190 nan 0.000 0.477 390 P HA 0.225 nan 4.420 nan 0.000 0.277 390 P C -0.898 176.364 177.300 -0.064 0.000 1.354 390 P CA -0.051 63.080 63.100 0.051 0.000 0.891 390 P CB 0.102 31.859 31.700 0.096 0.000 1.058 391 F N 2.158 122.087 119.950 -0.034 0.000 2.375 391 F HA 0.270 4.798 4.527 0.002 0.000 0.333 391 F C 1.822 177.446 175.800 -0.293 0.000 1.104 391 F CA -0.321 57.538 58.000 -0.234 0.000 1.149 391 F CB 0.875 39.755 39.000 -0.199 0.000 1.190 391 F HN 0.130 nan 8.300 nan 0.000 0.533 392 K N 1.579 121.723 120.400 -0.426 0.000 2.968 392 K HA 0.064 4.385 4.320 0.002 0.000 0.249 392 K C 1.610 178.213 176.600 0.005 0.000 1.062 392 K CA 0.094 56.122 56.287 -0.432 0.000 1.215 392 K CB -0.490 31.697 32.500 -0.522 0.000 1.097 392 K HN 0.971 nan 8.250 nan 0.000 0.462 393 G N 2.074 110.995 108.800 0.201 0.000 2.564 393 G HA2 -0.250 3.712 3.960 0.002 0.000 0.217 393 G HA3 -0.250 3.712 3.960 0.002 0.000 0.217 393 G C 0.876 175.861 174.900 0.142 0.000 1.120 393 G CA 0.932 46.221 45.100 0.316 0.000 0.752 393 G HN 0.527 nan 8.290 nan 0.000 0.558 394 D N -0.590 119.876 120.400 0.111 0.000 2.395 394 D HA 0.108 4.749 4.640 0.002 0.000 0.213 394 D C 0.411 176.741 176.300 0.050 0.000 1.110 394 D CA -0.131 53.908 54.000 0.065 0.000 0.835 394 D CB 0.253 41.095 40.800 0.070 0.000 0.965 394 D HN 0.093 nan 8.370 nan 0.000 0.505 395 S N -0.132 115.605 115.700 0.062 0.000 2.651 395 S HA 0.255 4.726 4.470 0.002 0.000 0.291 395 S C 1.551 176.177 174.600 0.043 0.000 1.141 395 S CA -0.761 57.464 58.200 0.041 0.000 1.027 395 S CB 2.426 65.639 63.200 0.021 0.000 1.043 395 S HN -0.072 nan 8.310 nan 0.000 0.530 396 V N 1.393 121.323 119.914 0.026 0.000 2.392 396 V HA -0.078 4.043 4.120 0.002 0.000 0.249 396 V C 0.601 176.738 176.094 0.070 0.000 1.059 396 V CA 1.572 63.890 62.300 0.029 0.000 1.051 396 V CB -0.438 31.402 31.823 0.029 0.000 0.658 396 V HN 0.638 nan 8.190 nan 0.000 0.455 397 I N -0.556 120.056 120.570 0.070 0.000 2.355 397 I HA 0.280 4.451 4.170 0.002 0.000 0.288 397 I C -0.261 175.919 176.117 0.104 0.000 0.999 397 I CA -0.785 60.569 61.300 0.089 0.000 1.163 397 I CB 1.137 39.173 38.000 0.060 0.000 1.316 397 I HN 0.105 nan 8.210 nan 0.000 0.454 398 Y N 5.835 126.127 120.300 -0.013 0.000 2.550 398 Y HA 0.452 5.003 4.550 0.002 0.000 0.343 398 Y C 0.757 176.616 175.900 -0.068 0.000 1.245 398 Y CA 0.636 58.714 58.100 -0.036 0.000 1.462 398 Y CB 0.711 39.161 38.460 -0.016 0.000 1.340 398 Y HN 0.683 nan 8.280 nan 0.000 0.604 399 G N 1.397 109.798 108.800 -0.665 0.000 2.356 399 G HA2 0.394 4.355 3.960 0.002 0.000 0.281 399 G HA3 0.394 4.355 3.960 0.002 0.000 0.281 399 G C -2.150 172.351 174.900 -0.665 0.000 1.246 399 G CA -0.202 44.561 45.100 -0.562 0.000 0.889 399 G HN 1.126 nan 8.290 nan 0.000 0.486 400 V N -0.105 119.494 119.914 -0.525 0.000 2.668 400 V HA 0.581 4.702 4.120 0.002 0.000 0.304 400 V C 0.977 176.829 176.094 -0.403 0.000 1.071 400 V CA -0.444 61.516 62.300 -0.567 0.000 0.894 400 V CB 1.378 32.804 31.823 -0.661 0.000 1.008 400 V HN 0.860 nan 8.190 nan 0.000 0.425 401 H N 4.486 123.419 119.070 -0.229 0.000 2.319 401 H HA 0.008 4.566 4.556 0.002 0.000 0.299 401 H C 0.551 175.792 175.328 -0.145 0.000 1.092 401 H CA 1.978 57.933 56.048 -0.154 0.000 1.302 401 H CB 0.348 30.043 29.762 -0.112 0.000 1.373 401 H HN 0.872 nan 8.280 nan 0.000 0.497 402 E N -0.134 120.041 120.200 -0.042 0.000 2.354 402 E HA 0.367 4.718 4.350 0.002 0.000 0.283 402 E C -1.604 174.931 176.600 -0.109 0.000 0.938 402 E CA -0.792 55.571 56.400 -0.063 0.000 0.777 402 E CB 1.896 31.580 29.700 -0.027 0.000 1.222 402 E HN -0.016 nan 8.360 nan 0.000 0.423 403 L N 2.842 124.013 121.223 -0.087 0.000 2.417 403 L HA 0.451 4.793 4.340 0.002 0.000 0.259 403 L C -2.901 173.958 176.870 -0.018 0.000 1.023 403 L CA -1.583 53.210 54.840 -0.078 0.000 0.901 403 L CB 1.395 43.400 42.059 -0.090 0.000 1.227 403 L HN 0.337 nan 8.230 nan 0.000 0.454 404 P HA 0.273 nan 4.420 nan 0.000 0.268 404 P C -1.144 176.183 177.300 0.045 0.000 1.204 404 P CA 0.046 63.156 63.100 0.017 0.000 0.768 404 P CB 1.068 32.773 31.700 0.008 0.000 0.842 405 V N 0.150 120.106 119.914 0.070 0.000 3.188 405 V HA 0.968 5.089 4.120 0.002 0.000 0.305 405 V C -0.601 175.554 176.094 0.101 0.000 1.232 405 V CA -0.714 61.656 62.300 0.117 0.000 1.043 405 V CB 2.105 34.032 31.823 0.173 0.000 1.068 405 V HN 0.666 nan 8.190 nan 0.000 0.439 406 T N -1.393 113.236 114.554 0.123 0.000 2.762 406 T HA 0.884 5.235 4.350 0.002 0.000 0.301 406 T C -1.481 173.321 174.700 0.170 0.000 1.299 406 T CA -0.199 61.862 62.100 -0.066 0.000 1.005 406 T CB 1.983 70.774 68.868 -0.128 0.000 1.377 406 T HN 2.294 nan 8.240 nan 0.000 0.504 407 W N -0.884 120.404 121.300 -0.020 0.000 3.363 407 W HA 0.619 5.280 4.660 0.002 0.000 0.306 407 W C -0.770 175.630 176.519 -0.199 0.000 1.253 407 W CA -1.147 56.148 57.345 -0.085 0.000 1.195 407 W CB 0.283 29.671 29.460 -0.120 0.000 1.366 407 W HN 1.066 nan 8.180 nan 0.000 0.551 408 H N 1.809 120.877 119.070 -0.004 0.000 3.092 408 H HA -0.013 4.544 4.556 0.002 0.000 0.332 408 H C -0.812 174.419 175.328 -0.162 0.000 1.029 408 H CA 1.168 57.184 56.048 -0.053 0.000 1.376 408 H CB 0.624 30.398 29.762 0.020 0.000 1.329 408 H HN 0.665 nan 8.280 nan 0.000 0.598 409 H N 3.366 122.292 119.070 -0.240 0.000 2.489 409 H HA 0.234 4.791 4.556 0.002 0.000 0.343 409 H C 0.159 175.382 175.328 -0.175 0.000 1.086 409 H CA -0.600 55.398 56.048 -0.084 0.000 1.198 409 H CB 0.947 30.629 29.762 -0.132 0.000 1.490 409 H HN 0.621 nan 8.280 nan 0.000 0.504 410 H N 0.793 119.824 119.070 -0.064 0.000 2.960 410 H HA 0.558 5.115 4.556 0.002 0.000 0.303 410 H C -1.318 173.992 175.328 -0.031 0.000 1.412 410 H CA -0.920 55.099 56.048 -0.049 0.000 1.227 410 H CB 1.926 31.712 29.762 0.040 0.000 1.912 410 H HN 0.653 nan 8.280 nan 0.000 0.583 411 H N 0.038 118.883 119.070 -0.375 0.000 3.140 411 H HA 0.245 4.802 4.556 0.002 0.000 0.336 411 H C -0.778 174.362 175.328 -0.314 0.000 1.142 411 H CA -0.475 55.273 56.048 -0.500 0.000 1.308 411 H CB 0.910 30.528 29.762 -0.240 0.000 1.970 411 H HN 0.745 nan 8.280 nan 0.000 0.521 412 H N 0.000 119.259 119.070 0.315 0.000 2.539 412 H HA 0.000 4.557 4.556 0.002 0.000 0.296 412 H CA 0.000 56.111 56.048 0.105 0.000 1.023 412 H CB 0.000 29.848 29.762 0.143 0.000 1.292 412 H HN 0.000 nan 8.280 nan 0.000 0.496